A0A087YR60_POEFO Loading...

Leucine rich repeat transmembrane neuronal 1

AlphaFold DB , UniProt , Accession A0A087YR60, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 522 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.9	Very low	32.6	Very low	216 Å²	216	158.7 Å²	158.7	100%	1.064	79%	0.793	S	S	*	*				0	58.3	0	-53.7	-49.7	-153	0	0	108.2
2	D	33	Very low	32.2	Very low	134 Å²	134	166.2 Å²	166.2	72%	0.717	81%	0.805	S	S	*	*				61.3	111.3	75.6	-55.4	-52	0	0	0	110
3	F	34.3	Very low	32.5	Very low	189 Å²	189	162 Å²	162	83%	0.829	80%	0.799	S	S	*	*				-144.5	120.5	75	-92.7	-100.5	0	0	0	111.5
4	L	33.4	Very low	33.1	Very low	129 Å²	129	162.4 Å²	162.4	68%	0.675	81%	0.805	S	S	*	*				75.1	99.6	95.8	-94.3	140.5	0	0	0	114.9
5	L	34	Very low	33.2	Very low	150 Å²	150	165.3 Å²	165.3	79%	0.785	81%	0.811	S	S	*	*				73.7	106.1	79	-108.2	144.5	0	0	0	115.3
6	I	35.6	Very low	33.5	Very low	174 Å²	174	167.9 Å²	167.9	89%	0.892	82%	0.817	S	S	*	*			trans	-138	110.4	142.6	-67.1	-177.9	0	0	0	107.4
7	G	31.3	Very low	34	Very low	49 Å²	49	163.3 Å²	163.3	51%	0.505	80%	0.803	S	S	.	*			trans	-78.6	171.9	159.1	0	0	0	0	0	110
8	L	31.6	Very low	34.4	Very low	152 Å²	152	159.2 Å²	159.2	80%	0.796	79%	0.791	S	S	*	*			cis	-170.8	145.3	45.2	-83.6	160.3	0	0	0	108.1
9	Y	29.1	Very low	35.1	Very low	204 Å²	204	153.7 Å²	153.7	80%	0.8	78%	0.779	S	S	*	*			trans	60	115.9	137.9	-76.5	-115.1	0	0	0	120.2
10	L	30.4	Very low	35.8	Very low	164 Å²	164	153.3 Å²	153.3	86%	0.859	78%	0.778	S	S	*	*				-164.8	107.7	118.8	-100.5	146.4	0	0	0	112.1
11	K	31.4	Very low	36.5	Very low	185 Å²	185	151 Å²	151	80%	0.804	77%	0.767	S	S	*	*			trans	38.3	103.7	145.3	-68.5	-177.5	176	178.8	0	119.3
12	W	26.9	Very low	37	Very low	248 Å²	248	147.1 Å²	147.1	94%	0.939	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-77.9	125.6	152.7	-144.1	-36.7	0	0	0	109.4
13	P	36.1	Very low	37.7	Very low	112 Å²	112	144.4 Å²	144.4	73%	0.727	74%	0.74	S	S	*	*	P	Polyproline II helix	trans	-94.6	125	153.5	27.2	-15.3	0	0	0	108.7	K15	P13-K15 PolarHBondContact O-N 3.21Å
14	L	41.8	Very low	38.3	Very low	168 Å²	168	138.1 Å²	138.1	88%	0.88	72%	0.72	S	S	*	*	P	Polyproline II helix	trans	-50.7	121	161.6	-86.7	88.8	0	0	0	109.6
15	K	34	Very low	38.8	Very low	205 Å²	205	137 Å²	137	89%	0.891	71%	0.714	S	S	*	*			trans	-153.6	115.6	144	-106	173.6	-173.7	-177.2	0	108.5	P13	P13-K15 PolarHBondContact O-N 3.21Å
16	K	37.8	Very low	39.3	Very low	208 Å²	208	131.6 Å²	131.6	90%	0.904	69%	0.694	S	S	*	*	P	Polyproline II helix	trans	-58.6	159.5	167.3	-91.3	-176.3	178.4	179.9	0	110.4
17	P	42.3	Very low	40	Very low	89 Å²	89	128.3 Å²	128.3	58%	0.578	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-89.1	160.8	-139.1	35.6	-35.5	0	0	0	113.1	G19	P17-G19 PolarHBondContact O-N 3.32Å
18	P	42	Very low	40.4	Very low	90 Å²	90	133.5 Å²	133.5	58%	0.584	69%	0.686	S	S	*	*	P	Polyproline II helix	trans	-67.4	119.8	159.8	28.3	-29.3	0	0	0	108.3	L20 I21	P18-L20 PolarHBondContact O-N 3.26Å; P18-I21 PolarHBondContact O-N 3.49Å
19	G	47.5	Very low	40.9	Very low	55 Å²	55	132.5 Å²	132.5	57%	0.567	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	18.9	179.2	0	0	0	0	0	116	P17	P17-G19 PolarHBondContact O-N 3.32Å
20	L	48.9	Very low	41.3	Very low	144 Å²	144	133.6 Å²	133.6	75%	0.754	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.8	-20.9	177.5	-84.6	152.9	0	0	0	113.1	P18 S24	P18-L20 PolarHBondContact O-N 3.26Å; L20-S24 PolarHBondContact O-N 3.1Å
21	I	49.8	Very low	41.8	Very low	107 Å²	107	130 Å²	130	55%	0.549	67%	0.669	S	S	.	*	H	α-helix	trans	-87.7	-23.7	-179.8	-56.4	176.9	0	0	0	112	P18 S24 L25	P18-I21 PolarHBondContact O-N 3.49Å; I21-S24 PolarHBondContact O-OG 3.45Å; I21-S24 VanDerWaalsContact O-OG 3.06Å; I21-L25 HydrophobicContact CG2-CD1 4.28Å; I21-L25 PolarHBondContact O-N 3.37Å
22	L	46.6	Very low	42.2	Very low	134 Å²	134	126.4 Å²	126.4	70%	0.702	66%	0.662	S	S	*	*	H	α-helix	trans	-78	-25.9	172.4	-93.7	149	0	0	0	112.7	G26	L22-G26 PolarHBondContact O-N 3.48Å
23	C	47.3	Very low	42.8	Very low	77 Å²	77	119 Å²	119	52%	0.52	65%	0.648	S	S	.	*	H	α-helix	trans	-74.6	-35.7	169.8	-84.2	0	0	0	0	111.9	G26 I27	C23-G26 PolarHBondContact O-N 2.99Å; C23-I27 HydrophobicContact CB-CD1 4.43Å; C23-I27 WeakPolarHBondContact O-CB 3.41Å; C23-I27 VanDerWaalsContact O-CD1 3.26Å; C23-I27 WeakPolarHBondContact O-CD1 3.3Å; C23-I27 WeakPolarHBondContact O-CG1 3.39Å; C23-I27 PolarHBondContact O-N 3.36Å
24	S	46.1	Very low	43	Very low	57 Å²	57	121.2 Å²	121.2	40%	0.399	65%	0.653	S	S	.	*	H	α-helix	trans	-71	-36.2	176.8	60.2	0	0	0	0	112.7	L20 I21 F28	L20-S24 PolarHBondContact O-N 3.1Å; I21-S24 PolarHBondContact O-OG 3.45Å; I21-S24 VanDerWaalsContact O-OG 3.06Å; S24-F28 WeakPolarHBondContact O-CB 3.47Å; S24-F28 PolarHBondContact O-N 3.21Å
25	L	45.5	Very low	43.2	Very low	105 Å²	105	117.6 Å²	117.6	55%	0.55	65%	0.647	S	S	.	*	H	α-helix	trans	-72.1	-35.6	170.1	-97.6	111	0	0	0	113	I21 I27 F28 L29	I21-L25 HydrophobicContact CG2-CD1 4.28Å; I21-L25 PolarHBondContact O-N 3.37Å; L25-I27 VanDerWaalsContact C-N 3.33Å; L25-F28 PolarHBondContact O-N 2.9Å; L25-L29 VanDerWaalsContact O-CB 3.29Å; L25-L29 WeakPolarHBondContact O-CB 3.36Å; L25-L29 WeakPolarHBondContact O-CD1 3.38Å; L25-L29 PolarHBondContact O-N 3.25Å
26	G	44	Very low	44	Very low	36 Å²	36	116 Å²	116	37%	0.371	64%	0.643	S	S	.	*	H	α-helix	trans	-70.3	-27.6	174.6	0	0	0	0	0	113.8	L22 C23 R30	L22-G26 PolarHBondContact O-N 3.48Å; C23-G26 PolarHBondContact O-N 2.99Å; G26-R30 WeakPolarHBondContact O-CG 3.17Å; G26-R30 PolarHBondContact O-N 3.4Å
27	I	48.9	Very low	45	Very low	105 Å²	105	108.5 Å²	108.5	54%	0.538	62%	0.62	S	S	.	*	H	α-helix	trans	-81.9	-38.6	173.5	-66.6	163.9	0	0	0	110	C23 L25 L29 R30 T31	C23-I27 HydrophobicContact CB-CD1 4.43Å; C23-I27 WeakPolarHBondContact O-CB 3.41Å; C23-I27 VanDerWaalsContact O-CD1 3.26Å; C23-I27 WeakPolarHBondContact O-CD1 3.3Å; C23-I27 WeakPolarHBondContact O-CG1 3.39Å; C23-I27 PolarHBondContact O-N 3.36Å; L25-I27 VanDerWaalsContact C-N 3.33Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L29 PolarHBondContact O-N 3.13Å; I27-R30 PolarHBondContact O-N 2.7Å; I27-R30 VanDerWaalsContact O-N 3.15Å; I27-T31 WeakPolarHBondContact O-CG2 3.38Å; I27-T31 PolarHBondContact O-N 3.47Å; I27-T31 VanDerWaalsContact O-N 3.08Å; I27-T31 PolarHBondContact O-OG1 3.41Å
28	F	40	Very low	46.4	Very low	159 Å²	159	110.4 Å²	110.4	70%	0.697	63%	0.629	S	S	*	*	H	α-helix	trans	-66.3	-31.7	171.7	-103	-92.4	0	0	0	113.4	S24 L25 R30 T31 V32	S24-F28 WeakPolarHBondContact O-CB 3.47Å; S24-F28 PolarHBondContact O-N 3.21Å; L25-F28 PolarHBondContact O-N 2.9Å; F28-R30 VanDerWaalsContact C-N 3.35Å; F28-T31 WeakPolarHBondContact CA-OG1 3.49Å; F28-T31 PolarHBondContact O-N 3.35Å; F28-T31 PolarHBondContact O-OG1 3.33Å; F28-V32 PolarHBondContact O-N 3.11Å
29	L	41.6	Very low	48.3	Very low	131 Å²	131	108.6 Å²	108.6	69%	0.686	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.4	-11.6	172.8	-84.2	153.4	0	0	0	113.7	L25 I27	L25-L29 VanDerWaalsContact O-CB 3.29Å; L25-L29 WeakPolarHBondContact O-CB 3.36Å; L25-L29 WeakPolarHBondContact O-CD1 3.38Å; L25-L29 PolarHBondContact O-N 3.25Å; I27-L29 VanDerWaalsContact C-N 3.34Å; I27-L29 PolarHBondContact O-N 3.13Å
30	R	39.1	Very low	50	Low	226 Å²	226	107.3 Å²	107.3	85%	0.853	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.8	-10.8	167.3	-82.5	-172	176.9	-161.2	0.2	113.4	G26 I27 F28	G26-R30 WeakPolarHBondContact O-CG 3.17Å; G26-R30 PolarHBondContact O-N 3.4Å; I27-R30 PolarHBondContact O-N 2.7Å; I27-R30 VanDerWaalsContact O-N 3.15Å; F28-R30 VanDerWaalsContact C-N 3.35Å
31	T	40.3	Very low	51.3	Low	90 Å²	90	112.8 Å²	112.8	55%	0.552	61%	0.611	S	S	*	*	S	Bend	trans	-109.3	8.4	175.7	59.7	0	0	0	0	113.7	I27 F28 S33	I27-T31 WeakPolarHBondContact O-CG2 3.38Å; I27-T31 PolarHBondContact O-N 3.47Å; I27-T31 VanDerWaalsContact O-N 3.08Å; I27-T31 PolarHBondContact O-OG1 3.41Å; F28-T31 WeakPolarHBondContact CA-OG1 3.49Å; F28-T31 PolarHBondContact O-N 3.35Å; F28-T31 PolarHBondContact O-OG1 3.33Å; T31-S33 PolarHBondContact O-N 3.3Å
32	V	40.5	Very low	52.8	Low	108 Å²	108	113.6 Å²	113.6	66%	0.655	62%	0.615	S	S	*	*			trans	-70.9	82.2	150.2	-175.9	0	0	0	0	105.1	F28 L34	F28-V32 PolarHBondContact O-N 3.11Å; V32-L34 PolarHBondContact O-N 2.56Å
33	S	38.2	Very low	54.9	Low	93 Å²	93	107.9 Å²	107.9	65%	0.65	59%	0.586	S	S	*	*			trans	-43.5	117.5	156.1	51.1	0	0	0	0	105.5	T31 A35	T31-S33 PolarHBondContact O-N 3.3Å; S33-A35 PolarHBondContact O-N 3.5Å
34	L	41.8	Very low	56.9	Low	158 Å²	158	112.9 Å²	112.9	83%	0.827	60%	0.595	S	S	*	*			trans	-41.2	121.3	148.3	-106.9	83.9	0	0	0	103.8	V32 E36	V32-L34 PolarHBondContact O-N 2.56Å; L34-E36 PolarHBondContact O-N 3.26Å
35	A	45.8	Very low	59	Low	93 Å²	93	112.2 Å²	112.2	77%	0.769	59%	0.589	S	S	*	*			trans	-58.8	90.1	171	0	0	0	0	0	105.4	S33 A37	S33-A35 PolarHBondContact O-N 3.5Å; A35-A37 PolarHBondContact O-N 3.02Å
36	E	51	Low	61.1	Low	172 Å²	172	111.4 Å²	111.4	80%	0.804	59%	0.585	S	S	*	*			trans	-55	113.7	166.6	-78.9	-177.8	158.3	0	0	102.8	L34 V38	L34-E36 PolarHBondContact O-N 3.26Å; E36-V38 VanDerWaalsContact C-N 3.31Å; E36-V38 WeakPolarHBondContact O-CG2 3.46Å; E36-V38 PolarHBondContact O-N 2.99Å
37	A	58.4	Low	63.2	Low	50 Å²	50	115.4 Å²	115.4	41%	0.413	61%	0.608	S	S	.	*			trans	-54.4	106.3	175.5	0	0	0	0	0	106.3	A35 C39 S66	A35-A37 PolarHBondContact O-N 3.02Å; A37-C39 PolarHBondContact O-N 3.47Å; A37-S66 WeakPolarHBondContact CB-OG 3.32Å
38	V	70.9	Confident	65.1	Low	128 Å²	128	115.8 Å²	115.8	78%	0.776	61%	0.606	S	S	*	*			trans	-66.5	113	-175.8	178.1	0	0	0	0	105.5	E36	E36-V38 VanDerWaalsContact C-N 3.31Å; E36-V38 WeakPolarHBondContact O-CG2 3.46Å; E36-V38 PolarHBondContact O-N 2.99Å
39	C	81.3	Confident	67.7	Low	53 Å²	53	110.5 Å²	110.5	36%	0.358	58%	0.584	S	S	.	*			trans	-53.6	124.5	176.4	-178.1	0	0	0	0	108.9	A37 R41 C43 C45	A37-C39 PolarHBondContact O-N 3.47Å; C39-R41 PolarHBondContact O-N 3.02Å; C39-C43 PolarHBondContact SG-O 3.12Å; C39-C43 VanDerWaalsContact SG-O 3.4Å; C39-C45 WeakPolarHBondContact CA-SG 3.41Å; C39-C45 HydrophobicContact CB-CB 3.76Å; C39-C45 WeakPolarHBondContact CB-SG 3.29Å; C39-C45 WeakPolarHBondContact SG-CB 3.19Å; C39-C45 CovalentContact SG-SG 2.01Å; C39-C45 PolarHBondContact SG-SG 3.37Å
40	P	83.3	Confident	70.1	Confident	27 Å²	27	104.9 Å²	104.9	18%	0.175	56%	0.555	C	S	.	*			trans	-58.2	136.6	176.7	-21.9	32.5	0	0	0	110	L42 C43 L50 P61 L64	P40-L42 PolarHBondContact O-N 2.96Å; P40-C43 HydrophobicContact CB-CB 4.13Å; P40-C43 HydrophobicContact CG-CB 4.38Å; P40-C43 PolarHBondContact O-N 3.08Å; P40-L50 HydrophobicContact CG-CD2 4.14Å; P40-P61 HydrophobicContact CB-CB 4.39Å; P40-P61 HydrophobicContact CG-CB 4.03Å; P40-L64 HydrophobicContact CG-CD2 3.84Å
41	R	76.6	Confident	72.8	Confident	259 Å²	259	97.7 Å²	97.7	98%	0.977	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	-27.9	-169.5	-73	-173.5	170.1	168.8	-2.2	115.2	C39	C39-R41 PolarHBondContact O-N 3.02Å
42	L	82.5	Confident	75.3	Confident	124 Å²	124	93.4 Å²	93.4	65%	0.649	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-14.2	-179	-62.9	172.6	0	0	0	112.7	P40 L55	P40-L42 PolarHBondContact O-N 2.96Å; L42-L55 HydrophobicContact CB-CD1 3.89Å; L42-L55 HydrophobicContact CB-CD2 4.29Å; L42-L55 WeakPolarHBondContact O-CD1 3.24Å
43	C	89.3	Confident	77.9	Confident	14 Å²	14	92.5 Å²	92.5	10%	0.095	49%	0.491	C	S	.	.	S	Bend	trans	-96.2	151.9	-176.5	-56.8	0	0	0	0	111.2	C39 P40 L50 Y51 C52	C39-C43 PolarHBondContact SG-O 3.12Å; C39-C43 VanDerWaalsContact SG-O 3.4Å; P40-C43 HydrophobicContact CB-CB 4.13Å; P40-C43 HydrophobicContact CG-CB 4.38Å; P40-C43 PolarHBondContact O-N 3.08Å; C43-L50 HydrophobicContact CB-CG 4.48Å; C43-Y51 CarbonylContact C-O 3.24Å; C43-Y51 WeakPolarHBondContact CA-O 3.26Å; C43-C52 HydrophobicContact CB-CB 4.04Å; C43-C52 WeakPolarHBondContact CB-SG 3.21Å; C43-C52 WeakPolarHBondContact SG-CB 3.29Å; C43-C52 CovalentContact SG-SG 2.02Å; C43-C52 PolarHBondContact SG-SG 3.2Å
44	R	90.8	Very high	80.5	Confident	183 Å²	183	90.2 Å²	90.2	69%	0.691	48%	0.481	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.6	128.8	167.5	175.2	-178.7	178	-175.4	-1.6	109	Y51	R44-Y51 PolarHBondContact N-O 3.1Å; R44-Y51 PolarHBondContact O-N 3.33Å
45	C	89.9	Confident	82.9	Confident	43 Å²	43	85.2 Å²	85.2	29%	0.291	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.2	178	-51.6	0	0	0	0	110.4	C39 L49 L50	C39-C45 WeakPolarHBondContact CA-SG 3.41Å; C39-C45 HydrophobicContact CB-CB 3.76Å; C39-C45 WeakPolarHBondContact CB-SG 3.29Å; C39-C45 WeakPolarHBondContact SG-CB 3.19Å; C39-C45 CovalentContact SG-SG 2.01Å; C39-C45 PolarHBondContact SG-SG 3.37Å; C45-L49 WeakPolarHBondContact CA-O 3.45Å; C45-L50 HydrophobicContact CB-CD1 4.14Å; C45-L50 WeakPolarHBondContact SG-CD1 3.42Å
46	D	89.6	Confident	85.2	Confident	87 Å²	87	87.1 Å²	87.1	47%	0.465	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	100.6	169.2	-173.8	-3.4	0	0	0	108.8	K48 L49 Y51	D46-K48 PolarHBondContact O-N 3.41Å; D46-L49 PolarHBondContact N-O 3.26Å; D46-L49 WeakPolarHBondContact O-CB 3.39Å; D46-L49 PolarHBondContact O-N 3.37Å; D46-Y51 HydrophobicContact CB-CE2 4.41Å
47	S	87	Confident	87.2	Confident	120 Å²	120	80.4 Å²	80.4	84%	0.839	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.4	-98.8	-175.4	-54.2	0	0	0	0	112.4
48	K	90.1	Very high	88.8	Confident	114 Å²	114	82.1 Å²	82.1	50%	0.496	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.2	5.9	178.9	-63.9	-178.9	179.5	179.1	0	112.8	D46 A67 M68 G69	D46-K48 PolarHBondContact O-N 3.41Å; K48-A67 CarbonylContact O-C 3.14Å; K48-A67 WeakPolarHBondContact O-CA 3.46Å; K48-M68 HydrophobicContact CB-CB 4.05Å; K48-M68 HydrophobicContact CB-CG 3.94Å; K48-M68 HydrophobicContact CB-SD 4.27Å; K48-M68 HydrophobicContact CD-CG 3.89Å; K48-M68 HydrophobicContact CD-SD 3.63Å; K48-M68 PolarHBondContact O-N 3.44Å; K48-G69 PolarHBondContact O-N 3.3Å
49	L	93.3	Very high	89.8	Confident	48 Å²	48	80.9 Å²	80.9	25%	0.251	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	130.4	178.3	-49	-177.3	0	0	0	108.5	C45 D46 Y51 M68 W93	C45-L49 WeakPolarHBondContact CA-O 3.45Å; D46-L49 PolarHBondContact N-O 3.26Å; D46-L49 WeakPolarHBondContact O-CB 3.39Å; D46-L49 PolarHBondContact O-N 3.37Å; L49-Y51 HydrophobicContact CB-CE2 3.76Å; L49-M68 HydrophobicContact CD2-CB 4.31Å; L49-W93 HydrophobicContact CB-CZ2 4.08Å; L49-W93 HydrophobicContact CD1-CZ2 4.29Å; L49-W93 HydrophobicContact CD2-CZ2 3.78Å; L49-W93 HydrophobicContact CG-CZ2 4.25Å
50	L	93.2	Very high	90.2	Very high	12 Å²	12	79.1 Å²	79.1	6%	0.063	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	126.9	-176	-145.4	85.3	0	0	0	109.9	P40 C43 C45 L64 G69 L70 S71	P40-L50 HydrophobicContact CG-CD2 4.14Å; C43-L50 HydrophobicContact CB-CG 4.48Å; C45-L50 HydrophobicContact CB-CD1 4.14Å; C45-L50 WeakPolarHBondContact SG-CD1 3.42Å; L50-L64 HydrophobicContact CD1-CD2 4.21Å; L50-L64 HydrophobicContact CD2-CD1 3.52Å; L50-L64 HydrophobicContact CD2-CD2 3.43Å; L50-L64 VanDerWaalsContact CD2-CD2 3.43Å; L50-L64 HydrophobicContact CD2-CG 4.08Å; L50-L64 HydrophobicContact CG-CD2 4.49Å; L50-G69 PolarHBondContact N-O 3.2Å; L50-L70 HydrophobicContact CB-CD1 3.9Å; L50-L70 HydrophobicContact CD2-CD1 3.69Å; L50-L70 HydrophobicContact CG-CD1 4.37Å; L50-S71 PolarHBondContact O-N 3.36Å
51	Y	94.6	Very high	90.3	Very high	75 Å²	75	79.2 Å²	79.2	29%	0.294	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	102.8	179.6	-57.2	-88.8	0	0	0	109.2	C43 R44 D46 L49 W93	C43-Y51 CarbonylContact C-O 3.24Å; C43-Y51 WeakPolarHBondContact CA-O 3.26Å; R44-Y51 PolarHBondContact N-O 3.1Å; R44-Y51 PolarHBondContact O-N 3.33Å; D46-Y51 HydrophobicContact CB-CE2 4.41Å; L49-Y51 HydrophobicContact CB-CE2 3.76Å; Y51-W93 AromaticContact CE1-CH2 3.94Å; Y51-W93 HydrophobicContact CE1-CH2 3.94Å
52	C	93.4	Very high	90.6	Very high	0 Å²	0	77.9 Å²	77.9	0%	0	40%	0.399	C	S	.	.			trans	-117	65.6	-179.2	-61.6	0	0	0	0	108.8	C43 L55 L57 S71 M72 N75	C43-C52 HydrophobicContact CB-CB 4.04Å; C43-C52 WeakPolarHBondContact CB-SG 3.21Å; C43-C52 WeakPolarHBondContact SG-CB 3.29Å; C43-C52 CovalentContact SG-SG 2.02Å; C43-C52 PolarHBondContact SG-SG 3.2Å; C52-L55 HydrophobicContact CB-CD1 4.05Å; C52-L57 HydrophobicContact CB-CD1 3.9Å; C52-S71 PolarHBondContact N-O 2.82Å; C52-M72 HydrophobicContact CB-CG 4.45Å; C52-M72 HydrophobicContact CB-SD 3.38Å; C52-M72 WeakPolarHBondContact CB-SD 3.49Å; C52-N75 PolarHBondContact O-ND2 3.45Å
53	E	94.3	Very high	90.2	Very high	90 Å²	90	78.9 Å²	78.9	42%	0.421	41%	0.405	S	S	.	.			trans	-106.7	136.4	-167.4	-59.3	172.4	177.4	0	0	111.5	L55 S71 R73	E53-L55 VanDerWaalsContact C-N 3.32Å; E53-L55 WeakPolarHBondContact O-CG 3.05Å; E53-L55 PolarHBondContact O-N 3.27Å; E53-S71 VanDerWaalsContact OE1-CB 3.25Å; E53-S71 WeakPolarHBondContact OE1-CB 2.97Å; E53-S71 PolarHBondContact OE1-OG 3.48Å; E53-R73 VanDerWaalsContact CA-O 3.3Å; E53-R73 WeakPolarHBondContact CA-O 3.47Å; E53-R73 HydrophobicContact CG-CB 4.17Å
54	G	93	Very high	89.8	Confident	44 Å²	44	78.7 Å²	78.7	45%	0.454	40%	0.403	S	S	.	.	S	Bend	trans	69.8	25.2	174.1	0	0	0	0	0	114.7	R73 E74	G54-R73 PolarHBondContact N-O 3.49Å; G54-R73 VanDerWaalsContact N-O 3.1Å; G54-E74 WeakPolarHBondContact CA-O 3.36Å; G54-E74 PolarHBondContact N-O 3.39Å
55	L	92.9	Very high	89.3	Confident	54 Å²	54	73.8 Å²	73.8	28%	0.283	40%	0.396	S	S	.	.	S	Bend	trans	-102.6	6.6	-170.1	-64.9	174.5	0	0	0	113.4	L42 C52 E53 L57 N75	L42-L55 HydrophobicContact CB-CD1 3.89Å; L42-L55 HydrophobicContact CB-CD2 4.29Å; L42-L55 WeakPolarHBondContact O-CD1 3.24Å; C52-L55 HydrophobicContact CB-CD1 4.05Å; E53-L55 VanDerWaalsContact C-N 3.32Å; E53-L55 WeakPolarHBondContact O-CG 3.05Å; E53-L55 PolarHBondContact O-N 3.27Å; L55-L57 HydrophobicContact CB-CD1 4.02Å; L55-L57 HydrophobicContact CB-CD2 4.41Å; L55-L57 HydrophobicContact CB-CG 3.75Å; L55-L57 HydrophobicContact CD1-CD1 4.04Å; L55-L57 PolarHBondContact O-N 3.27Å; L55-N75 PolarHBondContact N-OD1 2.8Å
56	N	93.5	Very high	89.1	Confident	132 Å²	132	73.9 Å²	73.9	71%	0.706	40%	0.398	S	S	*	.			trans	52.8	33.3	-173.4	-64.7	-29.9	0	0	0	113.1	N75	N56-N75 PolarHBondContact N-OD1 3.48Å
57	L	92.6	Very high	89.1	Confident	32 Å²	32	70 Å²	70	17%	0.168	38%	0.378	C	S	.	.			trans	-70.6	134.1	178.9	-63.7	171.1	0	0	0	110.2	C52 L55 P61 M72 N75 N76 L77	C52-L57 HydrophobicContact CB-CD1 3.9Å; L55-L57 HydrophobicContact CB-CD1 4.02Å; L55-L57 HydrophobicContact CB-CD2 4.41Å; L55-L57 HydrophobicContact CB-CG 3.75Å; L55-L57 HydrophobicContact CD1-CD1 4.04Å; L55-L57 PolarHBondContact O-N 3.27Å; L57-P61 HydrophobicContact CD1-CG 4.49Å; L57-M72 HydrophobicContact CB-CE 3.96Å; L57-M72 HydrophobicContact CD1-CE 3.67Å; L57-M72 HydrophobicContact CD1-SD 3.96Å; L57-M72 HydrophobicContact CG-CE 4.47Å; L57-N75 HydrophobicContact CB-CB 4.29Å; L57-N75 PolarHBondContact N-OD1 3.48Å; L57-N75 VanDerWaalsContact N-OD1 3.1Å; L57-N76 CarbonylContact O-C 3.1Å; L57-N76 WeakPolarHBondContact O-CA 3.28Å; L57-N76 PolarHBondContact O-N 2.03Å; L57-L77 PolarHBondContact O-N 3.37Å
58	T	93.1	Very high	89.4	Confident	85 Å²	85	67.3 Å²	67.3	52%	0.521	35%	0.353	S	S	.	.	S	Bend	trans	-100.9	-11.7	173.5	57.5	0	0	0	0	112.5	N76 L77	T58-N76 HydrophobicContact CG2-CB 4.49Å; T58-L77 WeakPolarHBondContact O-CD2 3.38Å
59	D	91.6	Very high	89.7	Confident	102 Å²	102	61.9 Å²	61.9	55%	0.545	33%	0.329	S	S	.	.	S	Bend	trans	-139.4	152.8	-178.4	-90	-52	0	0	0	111.3	Q84	D59-Q84 PolarHBondContact OD1-NE2 2.9Å
60	I	89.8	Confident	89.8	Confident	17 Å²	17	59.6 Å²	59.6	9%	0.087	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-73.3	130.3	174.5	-64.8	155.2	0	0	0	109.7	L70 M72 L80 Q84 L85 L88	I60-L70 HydrophobicContact CG2-CD2 4.26Å; I60-M72 HydrophobicContact CG1-CE 4.49Å; I60-L80 HydrophobicContact CD1-CD2 4.4Å; I60-Q84 HydrophobicContact CD1-CG 3.88Å; I60-L85 HydrophobicContact CD1-CD2 3.44Å; I60-L85 VanDerWaalsContact CD1-CD2 3.44Å; I60-L85 HydrophobicContact CD1-CG 4Å; I60-L85 HydrophobicContact CG1-CD2 4.47Å; I60-L85 HydrophobicContact CG2-CD2 4.46Å; I60-L88 HydrophobicContact CG2-CD1 4.32Å
61	P	85.3	Confident	90	Very high	29 Å²	29	59 Å²	59	19%	0.188	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-59.7	142.2	179	-21.8	30.8	0	0	0	113	P40 L57 L64 M72	P40-P61 HydrophobicContact CB-CB 4.39Å; P40-P61 HydrophobicContact CG-CB 4.03Å; L57-P61 HydrophobicContact CD1-CG 4.49Å; P61-L64 HydrophobicContact CB-CD1 4.06Å; P61-L64 HydrophobicContact CB-CG 4.48Å; P61-L64 VanDerWaalsContact O-CD1 3.26Å; P61-L64 WeakPolarHBondContact O-CD1 3.32Å; P61-L64 WeakPolarHBondContact O-CG 3.45Å; P61-M72 HydrophobicContact CG-SD 4.35Å
62	R	81.9	Confident	90	Very high	230 Å²	230	55.5 Å²	55.5	87%	0.868	30%	0.3	S	S	*	.	S	Bend	trans	-80.5	164.1	179.2	-60.2	-176.7	-173.1	-175.6	-1.2	111.8
63	N	74.3	Confident	90.2	Very high	145 Å²	145	58.6 Å²	58.6	78%	0.775	31%	0.312	S	S	*	.			trans	65.4	36.8	174.9	-65.2	-12.1	0	0	0	116.1
64	L	81.3	Confident	90.3	Very high	11 Å²	11	60.2 Å²	60.2	6%	0.058	32%	0.32	C	S	.	.			trans	-98.5	24.2	-178.4	-61.5	-178.6	0	0	0	114.2	P40 L50 P61 S66 A67 L70 L88	P40-L64 HydrophobicContact CG-CD2 3.84Å; L50-L64 HydrophobicContact CD1-CD2 4.21Å; L50-L64 HydrophobicContact CD2-CD1 3.52Å; L50-L64 HydrophobicContact CD2-CD2 3.43Å; L50-L64 VanDerWaalsContact CD2-CD2 3.43Å; L50-L64 HydrophobicContact CD2-CG 4.08Å; L50-L64 HydrophobicContact CG-CD2 4.49Å; P61-L64 HydrophobicContact CB-CD1 4.06Å; P61-L64 HydrophobicContact CB-CG 4.48Å; P61-L64 VanDerWaalsContact O-CD1 3.26Å; P61-L64 WeakPolarHBondContact O-CD1 3.32Å; P61-L64 WeakPolarHBondContact O-CG 3.45Å; L64-S66 PolarHBondContact O-N 3.22Å; L64-A67 HydrophobicContact CB-CB 4.45Å; L64-A67 VanDerWaalsContact O-CB 3.25Å; L64-A67 WeakPolarHBondContact O-CB 3.43Å; L64-A67 PolarHBondContact O-N 3.21Å; L64-L70 HydrophobicContact CD1-CD1 4.33Å; L64-L70 HydrophobicContact CD1-CD2 4.5Å; L64-L88 HydrophobicContact CB-CD2 3.34Å; L64-L88 HydrophobicContact CB-CG 4.45Å; L64-L88 HydrophobicContact CD1-CD2 4.2Å; L64-L88 HydrophobicContact CG-CD2 4.44Å; L64-L88 WeakPolarHBondContact O-CD2 3.41Å
65	S	80.6	Confident	90.4	Very high	79 Å²	79	58.6 Å²	58.6	55%	0.552	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.5	-164.1	54.9	0	0	0	0	116.2	G87	S65-G87 VanDerWaalsContact CA-O 3.3Å; S65-G87 WeakPolarHBondContact CA-O 3.3Å
66	S	84.8	Confident	90.6	Very high	46 Å²	46	59.2 Å²	59.2	32%	0.322	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-0.2	176.5	70	0	0	0	0	114.5	A37 L64	A37-S66 WeakPolarHBondContact CB-OG 3.32Å; L64-S66 PolarHBondContact O-N 3.22Å
67	A	90.4	Very high	90.8	Very high	6 Å²	6	53 Å²	53	5%	0.05	27%	0.271	C	S	.	.			trans	-66.4	134	-176.9	0	0	0	0	0	111.2	K48 L64 L88 Q90 L91	K48-A67 CarbonylContact O-C 3.14Å; K48-A67 WeakPolarHBondContact O-CA 3.46Å; L64-A67 HydrophobicContact CB-CB 4.45Å; L64-A67 VanDerWaalsContact O-CB 3.25Å; L64-A67 WeakPolarHBondContact O-CB 3.43Å; L64-A67 PolarHBondContact O-N 3.21Å; A67-L88 HydrophobicContact CB-CD2 4.17Å; A67-Q90 CarbonylContact O-C 3.33Å; A67-Q90 WeakPolarHBondContact O-CB 3.24Å; A67-L91 HydrophobicContact CB-CD2 4.13Å; A67-L91 PolarHBondContact O-N 3.08Å
68	M	94.3	Very high	91	Very high	63 Å²	63	54.4 Å²	54.4	31%	0.31	28%	0.281	S	S	.	.	S	Bend	trans	-100.3	-18.5	174.3	-72.3	-176.7	61	0	0	112.4	K48 L49 T92	K48-M68 HydrophobicContact CB-CB 4.05Å; K48-M68 HydrophobicContact CB-CG 3.94Å; K48-M68 HydrophobicContact CB-SD 4.27Å; K48-M68 HydrophobicContact CD-CG 3.89Å; K48-M68 HydrophobicContact CD-SD 3.63Å; K48-M68 PolarHBondContact O-N 3.44Å; L49-M68 HydrophobicContact CD2-CB 4.31Å; M68-T92 HydrophobicContact CE-CG2 4.38Å; M68-T92 PolarHBondContact O-N 3.12Å; M68-T92 PolarHBondContact O-OG1 2.95Å
69	G	95.2	Very high	91.2	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	137.3	178.3	0	0	0	0	0	110.3	K48 L50 W93	K48-G69 PolarHBondContact O-N 3.3Å; L50-G69 PolarHBondContact N-O 3.2Å; G69-W93 VanDerWaalsContact CA-CD2 3.5Å; G69-W93 VanDerWaalsContact CA-CZ2 3.44Å
70	L	95.3	Very high	91.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	119.1	179	175.6	61.4	0	0	0	109.5	L50 I60 L64 M72 L88 L91 W93 L94 Y95	L50-L70 HydrophobicContact CB-CD1 3.9Å; L50-L70 HydrophobicContact CD2-CD1 3.69Å; L50-L70 HydrophobicContact CG-CD1 4.37Å; I60-L70 HydrophobicContact CG2-CD2 4.26Å; L64-L70 HydrophobicContact CD1-CD1 4.33Å; L64-L70 HydrophobicContact CD1-CD2 4.5Å; L70-M72 HydrophobicContact CD1-CG 3.78Å; L70-M72 HydrophobicContact CD1-SD 4.23Å; L70-M72 HydrophobicContact CD2-CG 4.15Å; L70-M72 HydrophobicContact CG-CG 3.84Å; L70-L88 HydrophobicContact CD2-CD1 3.79Å; L70-L91 HydrophobicContact CB-CD1 4.13Å; L70-L91 HydrophobicContact CB-CD2 3.83Å; L70-W93 VanDerWaalsContact N-CZ3 3.26Å; L70-W93 PolarHBondContact N-O 2.88Å; L70-W93 WeakPolarHBondContact O-CZ3 3.46Å; L70-L94 HydrophobicContact CB-CD1 4Å; L70-L94 HydrophobicContact CD2-CD1 3.88Å; L70-L94 HydrophobicContact CG-CD1 4.01Å; L70-L94 WeakPolarHBondContact O-CA 3.49Å; L70-Y95 PolarHBondContact O-N 3.42Å
71	S	96.8	Very high	91.7	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121	171.4	-167.3	0	0	0	0	108.8	L50 C52 E53 R73	L50-S71 PolarHBondContact O-N 3.36Å; C52-S71 PolarHBondContact N-O 2.82Å; E53-S71 VanDerWaalsContact OE1-CB 3.25Å; E53-S71 WeakPolarHBondContact OE1-CB 2.97Å; E53-S71 PolarHBondContact OE1-OG 3.48Å; S71-R73 WeakPolarHBondContact OG-CG 3.3Å
72	M	95.4	Very high	92.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.279	C	S	.	.			trans	-127.4	33.1	178.1	-71.1	-79.9	-58.4	0	0	109.7	C52 L57 I60 P61 L70 N75 L77 Y95 L96 N99	C52-M72 HydrophobicContact CB-CG 4.45Å; C52-M72 HydrophobicContact CB-SD 3.38Å; C52-M72 WeakPolarHBondContact CB-SD 3.49Å; L57-M72 HydrophobicContact CB-CE 3.96Å; L57-M72 HydrophobicContact CD1-CE 3.67Å; L57-M72 HydrophobicContact CD1-SD 3.96Å; L57-M72 HydrophobicContact CG-CE 4.47Å; I60-M72 HydrophobicContact CG1-CE 4.49Å; P61-M72 HydrophobicContact CG-SD 4.35Å; L70-M72 HydrophobicContact CD1-CG 3.78Å; L70-M72 HydrophobicContact CD1-SD 4.23Å; L70-M72 HydrophobicContact CD2-CG 4.15Å; L70-M72 HydrophobicContact CG-CG 3.84Å; M72-N75 PolarHBondContact O-ND2 3.47Å; M72-L77 HydrophobicContact CB-CD1 4.38Å; M72-L77 HydrophobicContact CE-CD1 4.2Å; M72-L77 HydrophobicContact CE-CD2 4.31Å; M72-Y95 PolarHBondContact N-O 3.15Å; M72-L96 HydrophobicContact CB-CD2 3.82Å; M72-L96 HydrophobicContact CG-CD2 4.45Å; M72-N99 PolarHBondContact O-ND2 3.44Å
73	R	97	Very high	92.4	Very high	65 Å²	65	48.6 Å²	48.6	25%	0.245	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	154	-178.3	-55.7	-175.3	177	-116.2	-6.4	112	E53 G54 S71 N75 Y95 D97 D119	E53-R73 VanDerWaalsContact CA-O 3.3Å; E53-R73 WeakPolarHBondContact CA-O 3.47Å; E53-R73 HydrophobicContact CG-CB 4.17Å; G54-R73 PolarHBondContact N-O 3.49Å; G54-R73 VanDerWaalsContact N-O 3.1Å; S71-R73 WeakPolarHBondContact OG-CG 3.3Å; R73-N75 PolarHBondContact O-N 2.82Å; R73-N75 PolarHBondContact O-ND2 2.94Å; R73-Y95 VanDerWaalsContact NH2-CD1 3.32Å; R73-D97 WeakPolarHBondContact CA-O 3.36Å; R73-D97 VanDerWaalsContact CD-OD1 3.31Å; R73-D97 WeakPolarHBondContact CD-OD1 3.13Å; R73-D97 WeakPolarHBondContact CD-OD2 3.3Å; R73-D97 WeakPolarHBondContact CG-OD1 3.32Å; R73-D97 IonicContact CZ-OD1 3.82Å; R73-D97 IonicContact CZ-OD2 3.6Å; R73-D97 IonicContact NE-OD1 3.94Å; R73-D97 PolarHBondContact NE-OD1 2.77Å; R73-D97 VanDerWaalsContact NE-OD1 3.11Å; R73-D97 IonicContact NE-OD2 3.37Å; R73-D97 IonicContact NH1-OD1 3.46Å; R73-D97 PolarHBondContact NH1-OD1 3.05Å; R73-D97 IonicContact NH1-OD2 3.96Å; R73-D97 PolarHBondContact NH1-OD2 3.11Å; R73-D97 IonicContact NH2-OD1 2.73Å; R73-D97 PolarHBondContact NH2-OD1 3.35Å; R73-D119 IonicContact CZ-OD2 2.77Å; R73-D119 IonicContact NH1-OD2 3.19Å; R73-D119 PolarHBondContact NH1-OD2 3.48Å; R73-D119 IonicContact NH2-OD2 2.73Å; R73-D119 PolarHBondContact NH2-OD2 3.27Å
74	E	96.7	Very high	93.2	Very high	125 Å²	125	44.1 Å²	44.1	58%	0.584	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	40.5	173.1	-58.9	-177.3	-169.4	0	0	112.9	G54 D97 H98	G54-E74 WeakPolarHBondContact CA-O 3.36Å; G54-E74 PolarHBondContact N-O 3.39Å; E74-D97 PolarHBondContact N-O 3Å; E74-H98 VanDerWaalsContact CA-O 3.25Å; E74-H98 WeakPolarHBondContact CA-O 3.39Å; E74-H98 HydrophobicContact CG-CB 3.93Å; E74-H98 PolarHBondContact N-O 3.47Å
75	N	96.6	Very high	93.6	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.053	23%	0.229	C	C	.	.	S	Bend	trans	-110.8	-168.5	174.8	-76.6	-59.6	0	0	0	110.6	C52 L55 N56 L57 M72 R73 N99	C52-N75 PolarHBondContact O-ND2 3.45Å; L55-N75 PolarHBondContact N-OD1 2.8Å; N56-N75 PolarHBondContact N-OD1 3.48Å; L57-N75 HydrophobicContact CB-CB 4.29Å; L57-N75 PolarHBondContact N-OD1 3.48Å; L57-N75 VanDerWaalsContact N-OD1 3.1Å; M72-N75 PolarHBondContact O-ND2 3.47Å; R73-N75 PolarHBondContact O-N 2.82Å; R73-N75 PolarHBondContact O-ND2 2.94Å; N75-N99 VanDerWaalsContact CA-OD1 3.31Å; N75-N99 WeakPolarHBondContact CA-OD1 3.4Å; N75-N99 WeakPolarHBondContact CB-OD1 3.49Å; N75-N99 PolarHBondContact N-OD1 3.25Å; N75-N99 PolarHBondContact O-OD1 3.01Å
76	N	97.1	Very high	93.9	Very high	67 Å²	67	41.1 Å²	41.1	36%	0.358	21%	0.213	S	C	.	.			trans	-118.9	37	-177.1	-162.1	36.5	0	0	0	111.3	L57 T58 N99 N100	L57-N76 CarbonylContact O-C 3.1Å; L57-N76 WeakPolarHBondContact O-CA 3.28Å; L57-N76 PolarHBondContact O-N 2.03Å; T58-N76 HydrophobicContact CG2-CB 4.49Å; N76-N99 PolarHBondContact N-OD1 3.16Å; N76-N100 PolarHBondContact OD1-ND2 3.17Å
77	L	96.8	Very high	93.9	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	22%	0.221	C	C	.	.			trans	-67.2	132.6	173.7	-59.4	176.8	0	0	0	109.2	L57 T58 M72 L96 N99 N100 I101	L57-L77 PolarHBondContact O-N 3.37Å; T58-L77 WeakPolarHBondContact O-CD2 3.38Å; M72-L77 HydrophobicContact CB-CD1 4.38Å; M72-L77 HydrophobicContact CE-CD1 4.2Å; M72-L77 HydrophobicContact CE-CD2 4.31Å; L77-L96 HydrophobicContact CD1-CD2 3.57Å; L77-N99 HydrophobicContact CB-CB 4.18Å; L77-N99 WeakPolarHBondContact CB-OD1 3.46Å; L77-N99 WeakPolarHBondContact CG-OD1 3.42Å; L77-N99 PolarHBondContact N-OD1 3.12Å; L77-N100 CarbonylContact O-C 3.56Å; L77-N100 VanDerWaalsContact O-CA 3.27Å; L77-N100 WeakPolarHBondContact O-CA 3.19Å; L77-N100 PolarHBondContact O-N 3.48Å; L77-I101 HydrophobicContact CB-CD1 4.34Å; L77-I101 HydrophobicContact CB-CG1 3.98Å; L77-I101 PolarHBondContact O-N 3.28Å; L77-I101 VanDerWaalsContact O-N 3.1Å
78	T	97.1	Very high	93.9	Very high	61 Å²	61	41.3 Å²	41.3	37%	0.374	22%	0.221	S	C	.	.			trans	-108.7	-27.7	-179.3	53.4	0	0	0	0	112.9	N100 I101 D102	T78-N100 HydrophobicContact CG2-CB 4.45Å; T78-I101 CarbonylContact O-C 3.23Å; T78-I101 VanDerWaalsContact O-CA 3.26Å; T78-I101 WeakPolarHBondContact O-CA 3.42Å; T78-D102 PolarHBondContact O-N 3.46Å
79	E	96.9	Very high	93.8	Very high	55 Å²	55	40.3 Å²	40.3	26%	0.257	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	152.8	-175.9	65.2	-169.3	144.2	0	0	110.8	R81 I103	E79-R81 VanDerWaalsContact CD-NH2 3.27Å; E79-R81 HydrophobicContact CG-CG 4.09Å; E79-R81 IonicContact OE1-CZ 3.72Å; E79-R81 IonicContact OE1-NE 3.1Å; E79-R81 PolarHBondContact OE1-NE 3.41Å; E79-R81 VanDerWaalsContact OE1-NE 3.1Å; E79-R81 IonicContact OE1-NH2 3.16Å; E79-R81 PolarHBondContact OE1-NH2 2.95Å; E79-R81 IonicContact OE2-CZ 3.59Å; E79-R81 IonicContact OE2-NE 2.84Å; E79-R81 PolarHBondContact OE2-NE 3.48Å; E79-R81 IonicContact OE2-NH2 2.78Å; E79-R81 PolarHBondContact OE2-NH2 3.49Å; E79-I103 CarbonylContact C-O 3.57Å; E79-I103 VanDerWaalsContact CA-O 3.31Å; E79-I103 WeakPolarHBondContact CA-O 3.39Å; E79-I103 HydrophobicContact CB-CB 4.18Å
80	L	96.8	Very high	93.7	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	108.8	169.7	-61.6	178.8	0	0	0	109.1	I60 L96 I101 I103 V104 E105 A108 F109 L120	I60-L80 HydrophobicContact CD1-CD2 4.4Å; L80-L96 HydrophobicContact CD1-CD1 3.88Å; L80-L96 HydrophobicContact CD2-CD1 4.06Å; L80-I101 HydrophobicContact CD1-CD1 4.21Å; L80-I101 HydrophobicContact CD1-CG2 4.5Å; L80-I101 HydrophobicContact CD2-CD1 4.18Å; L80-I101 HydrophobicContact CG-CD1 4.11Å; L80-I101 HydrophobicContact CG-CG2 4.15Å; L80-I103 PolarHBondContact N-O 3.16Å; L80-V104 HydrophobicContact CB-CG1 4.34Å; L80-V104 HydrophobicContact CB-CG2 4.49Å; L80-V104 HydrophobicContact CD1-CG1 4.37Å; L80-V104 HydrophobicContact CD1-CG2 4.15Å; L80-E105 PolarHBondContact O-N 2.84Å; L80-A108 HydrophobicContact CB-CB 3.93Å; L80-F109 HydrophobicContact CD1-CE1 4Å; L80-F109 HydrophobicContact CD1-CZ 3.71Å; L80-L120 HydrophobicContact CD1-CD2 3.88Å
81	R	95.3	Very high	93.8	Very high	125 Å²	125	43.7 Å²	43.7	47%	0.472	24%	0.236	S	C	.	.			trans	-92.5	153	-176.9	-62	-179.4	179.5	169.5	-0.1	112.5	E79 G83 Q84 E105	E79-R81 VanDerWaalsContact CD-NH2 3.27Å; E79-R81 HydrophobicContact CG-CG 4.09Å; E79-R81 IonicContact OE1-CZ 3.72Å; E79-R81 IonicContact OE1-NE 3.1Å; E79-R81 PolarHBondContact OE1-NE 3.41Å; E79-R81 VanDerWaalsContact OE1-NE 3.1Å; E79-R81 IonicContact OE1-NH2 3.16Å; E79-R81 PolarHBondContact OE1-NH2 2.95Å; E79-R81 IonicContact OE2-CZ 3.59Å; E79-R81 IonicContact OE2-NE 2.84Å; E79-R81 PolarHBondContact OE2-NE 3.48Å; E79-R81 IonicContact OE2-NH2 2.78Å; E79-R81 PolarHBondContact OE2-NH2 3.49Å; R81-G83 PolarHBondContact O-N 2.73Å; R81-Q84 HydrophobicContact CB-CB 4.44Å; R81-Q84 VanDerWaalsContact N-OE1 3.14Å; R81-Q84 VanDerWaalsContact O-CB 3.28Å; R81-Q84 WeakPolarHBondContact O-CB 3.37Å; R81-Q84 PolarHBondContact O-N 3.16Å; R81-E105 WeakPolarHBondContact CA-OE2 3.25Å
82	E	93.3	Very high	93.8	Very high	120 Å²	120	45 Å²	45	56%	0.561	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	134.9	170.8	-173.1	179.5	161.6	0	0	110.5	Q84 E105	E82-Q84 PolarHBondContact O-N 2.79Å; E82-Q84 VanDerWaalsContact O-N 3.1Å; E82-E105 WeakPolarHBondContact CB-OE2 3.4Å; E82-E105 PolarHBondContact N-OE2 3.34Å
83	G	88.5	Confident	93.9	Very high	40 Å²	40	46.7 Å²	46.7	41%	0.412	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.9	-13.6	178.9	0	0	0	0	0	115.7	R81 L85 A86	R81-G83 PolarHBondContact O-N 2.73Å; G83-L85 PolarHBondContact O-N 2.82Å; G83-A86 WeakPolarHBondContact O-CB 3.33Å; G83-A86 PolarHBondContact O-N 3.3Å; G83-A86 VanDerWaalsContact O-N 3.08Å
84	Q	90.4	Very high	94	Very high	52 Å²	52	43.6 Å²	43.6	24%	0.243	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-34.4	-179.6	-165.1	179.3	8.9	0	0	112	D59 I60 R81 E82	D59-Q84 PolarHBondContact OD1-NE2 2.9Å; I60-Q84 HydrophobicContact CD1-CG 3.88Å; R81-Q84 HydrophobicContact CB-CB 4.44Å; R81-Q84 VanDerWaalsContact N-OE1 3.14Å; R81-Q84 VanDerWaalsContact O-CB 3.28Å; R81-Q84 WeakPolarHBondContact O-CB 3.37Å; R81-Q84 PolarHBondContact O-N 3.16Å; E82-Q84 PolarHBondContact O-N 2.79Å; E82-Q84 VanDerWaalsContact O-N 3.1Å
85	L	91.1	Very high	94	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99	1	178.1	-64	168.1	0	0	0	113.6	I60 G83 G87 L88 L94 F109 L112	I60-L85 HydrophobicContact CD1-CD2 3.44Å; I60-L85 VanDerWaalsContact CD1-CD2 3.44Å; I60-L85 HydrophobicContact CD1-CG 4Å; I60-L85 HydrophobicContact CG1-CD2 4.47Å; I60-L85 HydrophobicContact CG2-CD2 4.46Å; G83-L85 PolarHBondContact O-N 2.82Å; L85-G87 PolarHBondContact O-N 2.91Å; L85-G87 VanDerWaalsContact O-N 3.1Å; L85-L88 HydrophobicContact CB-CD1 4.41Å; L85-L88 HydrophobicContact CD2-CD1 3.44Å; L85-L88 VanDerWaalsContact CD2-CD1 3.44Å; L85-L88 WeakPolarHBondContact O-CB 3.23Å; L85-L88 PolarHBondContact O-N 3.35Å; L85-L94 HydrophobicContact CD1-CD2 3.87Å; L85-L94 HydrophobicContact CD2-CD2 4.36Å; L85-F109 HydrophobicContact CD1-CD1 3.86Å; L85-F109 HydrophobicContact CD1-CE1 4.01Å; L85-L112 HydrophobicContact CB-CD1 4.07Å; L85-L112 HydrophobicContact CB-CD2 4.42Å; L85-L112 HydrophobicContact CB-CG 4.49Å; L85-L112 HydrophobicContact CD1-CD1 4.02Å
86	A	86.3	Confident	94.1	Very high	25 Å²	25	39.2 Å²	39.2	21%	0.207	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-25.8	-170.4	0	0	0	0	0	114.3	G83 L88	G83-A86 WeakPolarHBondContact O-CB 3.33Å; G83-A86 PolarHBondContact O-N 3.3Å; G83-A86 VanDerWaalsContact O-N 3.08Å; A86-L88 VanDerWaalsContact C-N 3.27Å; A86-L88 PolarHBondContact O-N 2.94Å
87	G	85	Confident	94.2	Very high	49 Å²	49	36.1 Å²	36.1	51%	0.505	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-20	175.3	0	0	0	0	0	113.8	S65 L85 S89	S65-G87 VanDerWaalsContact CA-O 3.3Å; S65-G87 WeakPolarHBondContact CA-O 3.3Å; L85-G87 PolarHBondContact O-N 2.91Å; L85-G87 VanDerWaalsContact O-N 3.1Å; G87-S89 VanDerWaalsContact C-N 3.29Å; G87-S89 PolarHBondContact O-N 3.48Å
88	L	90.2	Very high	94.3	Very high	7 Å²	7	40.7 Å²	40.7	4%	0.037	22%	0.221	C	C	.	.			trans	-91.7	34.8	-170.3	-67.5	165.2	0	0	0	113.3	I60 L64 A67 L70 L85 A86 Q90 L91 L112	I60-L88 HydrophobicContact CG2-CD1 4.32Å; L64-L88 HydrophobicContact CB-CD2 3.34Å; L64-L88 HydrophobicContact CB-CG 4.45Å; L64-L88 HydrophobicContact CD1-CD2 4.2Å; L64-L88 HydrophobicContact CG-CD2 4.44Å; L64-L88 WeakPolarHBondContact O-CD2 3.41Å; A67-L88 HydrophobicContact CB-CD2 4.17Å; L70-L88 HydrophobicContact CD2-CD1 3.79Å; L85-L88 HydrophobicContact CB-CD1 4.41Å; L85-L88 HydrophobicContact CD2-CD1 3.44Å; L85-L88 VanDerWaalsContact CD2-CD1 3.44Å; L85-L88 WeakPolarHBondContact O-CB 3.23Å; L85-L88 PolarHBondContact O-N 3.35Å; A86-L88 VanDerWaalsContact C-N 3.27Å; A86-L88 PolarHBondContact O-N 2.94Å; L88-Q90 PolarHBondContact O-N 3.35Å; L88-L91 HydrophobicContact CB-CD1 3.6Å; L88-L91 HydrophobicContact CB-CG 3.86Å; L88-L91 HydrophobicContact CD1-CD1 3.98Å; L88-L91 HydrophobicContact CD2-CD1 4.26Å; L88-L91 HydrophobicContact CD2-CG 4.38Å; L88-L91 HydrophobicContact CG-CD1 4.17Å; L88-L91 WeakPolarHBondContact O-CB 3.44Å; L88-L91 WeakPolarHBondContact O-CG 3.38Å; L88-L91 PolarHBondContact O-N 3.45Å; L88-L112 HydrophobicContact CB-CD2 4.03Å; L88-L112 VanDerWaalsContact O-CD2 3.3Å; L88-L112 WeakPolarHBondContact O-CD2 3.17Å
89	S	91.9	Very high	94.3	Very high	43 Å²	43	38 Å²	38	30%	0.301	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-17.8	-173.2	64.8	0	0	0	0	115.8	G87	G87-S89 VanDerWaalsContact C-N 3.29Å; G87-S89 PolarHBondContact O-N 3.48Å
90	Q	94.3	Very high	94.4	Very high	70 Å²	70	37.4 Å²	37.4	33%	0.327	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-3.5	-178.6	-57	-54.4	-52.3	0	0	113.8	A67 L88	A67-Q90 CarbonylContact O-C 3.33Å; A67-Q90 WeakPolarHBondContact O-CB 3.24Å; L88-Q90 PolarHBondContact O-N 3.35Å
91	L	95.9	Very high	94.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.203	C	C	.	.			trans	-60.6	139.4	-178.2	-76.2	-177.8	0	0	0	112.4	A67 L70 L88 L94 R114 V115	A67-L91 HydrophobicContact CB-CD2 4.13Å; A67-L91 PolarHBondContact O-N 3.08Å; L70-L91 HydrophobicContact CB-CD1 4.13Å; L70-L91 HydrophobicContact CB-CD2 3.83Å; L88-L91 HydrophobicContact CB-CD1 3.6Å; L88-L91 HydrophobicContact CB-CG 3.86Å; L88-L91 HydrophobicContact CD1-CD1 3.98Å; L88-L91 HydrophobicContact CD2-CD1 4.26Å; L88-L91 HydrophobicContact CD2-CG 4.38Å; L88-L91 HydrophobicContact CG-CD1 4.17Å; L88-L91 WeakPolarHBondContact O-CB 3.44Å; L88-L91 WeakPolarHBondContact O-CG 3.38Å; L88-L91 PolarHBondContact O-N 3.45Å; L91-L94 HydrophobicContact CD1-CD1 4.31Å; L91-R114 CarbonylContact O-C 3.41Å; L91-R114 VanDerWaalsContact O-CB 3.22Å; L91-R114 WeakPolarHBondContact O-CB 3.27Å; L91-V115 HydrophobicContact CB-CG2 3.84Å; L91-V115 WeakPolarHBondContact O-CG2 3.49Å; L91-V115 PolarHBondContact O-N 3.37Å; L91-V115 VanDerWaalsContact O-N 3.09Å
92	T	97.6	Very high	94.6	Very high	27 Å²	27	35.2 Å²	35.2	17%	0.166	20%	0.2	C	C	.	.	S	Bend	trans	-113.2	-27.2	175.8	60.7	0	0	0	0	111.9	M68 K116 E117	M68-T92 HydrophobicContact CE-CG2 4.38Å; M68-T92 PolarHBondContact O-N 3.12Å; M68-T92 PolarHBondContact O-OG1 2.95Å; T92-K116 PolarHBondContact O-N 3.31Å; T92-E117 PolarHBondContact O-N 3.03Å
93	W	98.1	Very high	94.8	Very high	37 Å²	37	33.7 Å²	33.7	14%	0.14	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	146.3	172.3	52.7	-97.7	0	0	0	109.6	L49 Y51 G69 L70 Y95 E117	L49-W93 HydrophobicContact CB-CZ2 4.08Å; L49-W93 HydrophobicContact CD1-CZ2 4.29Å; L49-W93 HydrophobicContact CD2-CZ2 3.78Å; L49-W93 HydrophobicContact CG-CZ2 4.25Å; Y51-W93 AromaticContact CE1-CH2 3.94Å; Y51-W93 HydrophobicContact CE1-CH2 3.94Å; G69-W93 VanDerWaalsContact CA-CD2 3.5Å; G69-W93 VanDerWaalsContact CA-CZ2 3.44Å; L70-W93 VanDerWaalsContact N-CZ3 3.26Å; L70-W93 PolarHBondContact N-O 2.88Å; L70-W93 WeakPolarHBondContact O-CZ3 3.46Å; W93-Y95 HydrophobicContact CD2-CE2 4.18Å; W93-Y95 AromaticContact CE3-CD2 3.58Å; W93-Y95 HydrophobicContact CE3-CD2 3.58Å; W93-Y95 AromaticContact CE3-CE2 3.57Å; W93-Y95 HydrophobicContact CE3-CE2 3.57Å; W93-Y95 HydrophobicContact CE3-CG 4.11Å; W93-Y95 AromaticContact CZ3-CD2 3.61Å; W93-Y95 HydrophobicContact CZ3-CD2 3.61Å; W93-Y95 AromaticContact CZ3-CE2 3.84Å; W93-Y95 HydrophobicContact CZ3-CE2 3.84Å; W93-Y95 HydrophobicContact CZ3-CG 4.39Å; W93-E117 VanDerWaalsContact CA-O 3.28Å; W93-E117 WeakPolarHBondContact CA-O 3.5Å; W93-E117 HydrophobicContact CB-CB 4.03Å
94	L	97.8	Very high	95.2	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	119.4	179.1	175.9	59.1	0	0	0	108.9	L70 L85 L91 L96 F109 L112 E117 L118 D119	L70-L94 HydrophobicContact CB-CD1 4Å; L70-L94 HydrophobicContact CD2-CD1 3.88Å; L70-L94 HydrophobicContact CG-CD1 4.01Å; L70-L94 WeakPolarHBondContact O-CA 3.49Å; L85-L94 HydrophobicContact CD1-CD2 3.87Å; L85-L94 HydrophobicContact CD2-CD2 4.36Å; L91-L94 HydrophobicContact CD1-CD1 4.31Å; L94-L96 HydrophobicContact CD1-CD1 4.23Å; L94-L96 HydrophobicContact CD1-CD2 4.37Å; L94-L96 HydrophobicContact CD1-CG 4.06Å; L94-L96 HydrophobicContact CD2-CD1 3.86Å; L94-L96 HydrophobicContact CG-CD1 3.9Å; L94-L96 HydrophobicContact CG-CG 4.04Å; L94-F109 HydrophobicContact CD2-CE1 4.3Å; L94-L112 HydrophobicContact CD2-CD1 4.27Å; L94-E117 PolarHBondContact N-O 3.28Å; L94-L118 HydrophobicContact CB-CD1 4.05Å; L94-L118 HydrophobicContact CD2-CD1 3.95Å; L94-L118 HydrophobicContact CG-CD1 4.02Å; L94-L118 WeakPolarHBondContact O-CA 3.43Å; L94-D119 PolarHBondContact O-N 3.11Å
95	Y	98.5	Very high	95.5	Very high	41 Å²	41	33.5 Å²	33.5	16%	0.161	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	118.7	179.3	-56.1	-38.1	0	0	0	110.8	L70 M72 R73 W93 E117 D119	L70-Y95 PolarHBondContact O-N 3.42Å; M72-Y95 PolarHBondContact N-O 3.15Å; R73-Y95 VanDerWaalsContact NH2-CD1 3.32Å; W93-Y95 HydrophobicContact CD2-CE2 4.18Å; W93-Y95 AromaticContact CE3-CD2 3.58Å; W93-Y95 HydrophobicContact CE3-CD2 3.58Å; W93-Y95 AromaticContact CE3-CE2 3.57Å; W93-Y95 HydrophobicContact CE3-CE2 3.57Å; W93-Y95 HydrophobicContact CE3-CG 4.11Å; W93-Y95 AromaticContact CZ3-CD2 3.61Å; W93-Y95 HydrophobicContact CZ3-CD2 3.61Å; W93-Y95 AromaticContact CZ3-CE2 3.84Å; W93-Y95 HydrophobicContact CZ3-CE2 3.84Å; W93-Y95 HydrophobicContact CZ3-CG 4.39Å; Y95-E117 HydrophobicContact CE1-CG 3.8Å; Y95-E117 WeakPolarHBondContact CE1-OE1 3.44Å; Y95-E117 VanDerWaalsContact CZ-OE1 3.29Å; Y95-E117 PolarHBondContact OH-OE1 3.43Å; Y95-E117 PolarHBondContact OH-OE2 3.32Å; Y95-D119 HydrophobicContact CD1-CB 3.56Å; Y95-D119 HydrophobicContact CE1-CB 4.21Å; Y95-D119 HydrophobicContact CG-CB 4.44Å
96	L	98.1	Very high	95.7	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	21%	0.208	C	C	.	.			trans	-129.2	18.7	-177.4	-67	167.6	0	0	0	110.8	M72 L77 L80 L94 N99 I101 D119 L120 N123	M72-L96 HydrophobicContact CB-CD2 3.82Å; M72-L96 HydrophobicContact CG-CD2 4.45Å; L77-L96 HydrophobicContact CD1-CD2 3.57Å; L80-L96 HydrophobicContact CD1-CD1 3.88Å; L80-L96 HydrophobicContact CD2-CD1 4.06Å; L94-L96 HydrophobicContact CD1-CD1 4.23Å; L94-L96 HydrophobicContact CD1-CD2 4.37Å; L94-L96 HydrophobicContact CD1-CG 4.06Å; L94-L96 HydrophobicContact CD2-CD1 3.86Å; L94-L96 HydrophobicContact CG-CD1 3.9Å; L94-L96 HydrophobicContact CG-CG 4.04Å; L96-N99 PolarHBondContact O-ND2 3.4Å; L96-I101 HydrophobicContact CB-CD1 4.11Å; L96-D119 PolarHBondContact N-O 3.28Å; L96-L120 HydrophobicContact CB-CD2 3.98Å; L96-L120 HydrophobicContact CD1-CD2 3.88Å; L96-N123 PolarHBondContact O-ND2 2.83Å
97	D	98.4	Very high	96	Very high	3 Å²	3	37.9 Å²	37.9	2%	0.016	20%	0.203	C	C	.	.			trans	-68.6	158.4	179.8	56.1	-74.1	0	0	0	113.3	R73 E74 N99 S121	R73-D97 WeakPolarHBondContact CA-O 3.36Å; R73-D97 VanDerWaalsContact CD-OD1 3.31Å; R73-D97 WeakPolarHBondContact CD-OD1 3.13Å; R73-D97 WeakPolarHBondContact CD-OD2 3.3Å; R73-D97 WeakPolarHBondContact CG-OD1 3.32Å; R73-D97 IonicContact CZ-OD1 3.82Å; R73-D97 IonicContact CZ-OD2 3.6Å; R73-D97 IonicContact NE-OD1 3.94Å; R73-D97 PolarHBondContact NE-OD1 2.77Å; R73-D97 VanDerWaalsContact NE-OD1 3.11Å; R73-D97 IonicContact NE-OD2 3.37Å; R73-D97 IonicContact NH1-OD1 3.46Å; R73-D97 PolarHBondContact NH1-OD1 3.05Å; R73-D97 IonicContact NH1-OD2 3.96Å; R73-D97 PolarHBondContact NH1-OD2 3.11Å; R73-D97 IonicContact NH2-OD1 2.73Å; R73-D97 PolarHBondContact NH2-OD1 3.35Å; E74-D97 PolarHBondContact N-O 3Å; D97-N99 VanDerWaalsContact C-N 3.29Å; D97-N99 PolarHBondContact O-N 3.48Å; D97-N99 PolarHBondContact O-ND2 3.12Å; D97-S121 WeakPolarHBondContact CA-O 3.19Å; D97-S121 VanDerWaalsContact CB-O 3.3Å; D97-S121 WeakPolarHBondContact CB-O 3.47Å; D97-S121 WeakPolarHBondContact CB-OG 3.15Å
98	H	98.4	Very high	96.6	Very high	96 Å²	96	35.6 Å²	35.6	44%	0.444	18%	0.179	S	C	.	.	S	Bend	trans	56	42.9	-178.3	-58.4	87.6	0	0	0	112.6	E74 S121 S122	E74-H98 VanDerWaalsContact CA-O 3.25Å; E74-H98 WeakPolarHBondContact CA-O 3.39Å; E74-H98 HydrophobicContact CG-CB 3.93Å; E74-H98 PolarHBondContact N-O 3.47Å; H98-S121 PolarHBondContact N-O 3.42Å; H98-S122 VanDerWaalsContact CA-O 3.29Å; H98-S122 WeakPolarHBondContact CA-O 3.38Å; H98-S122 PolarHBondContact N-O 3.07Å
99	N	98.2	Very high	96.9	Very high	5 Å²	5	35.3 Å²	35.3	3%	0.027	18%	0.178	C	C	.	.	S	Bend	trans	-111.1	-170.5	170.6	-83.1	-89.6	0	0	0	109.8	M72 N75 N76 L77 L96 D97 I101 S122 N123	M72-N99 PolarHBondContact O-ND2 3.44Å; N75-N99 VanDerWaalsContact CA-OD1 3.31Å; N75-N99 WeakPolarHBondContact CA-OD1 3.4Å; N75-N99 WeakPolarHBondContact CB-OD1 3.49Å; N75-N99 PolarHBondContact N-OD1 3.25Å; N75-N99 PolarHBondContact O-OD1 3.01Å; N76-N99 PolarHBondContact N-OD1 3.16Å; L77-N99 HydrophobicContact CB-CB 4.18Å; L77-N99 WeakPolarHBondContact CB-OD1 3.46Å; L77-N99 WeakPolarHBondContact CG-OD1 3.42Å; L77-N99 PolarHBondContact N-OD1 3.12Å; L96-N99 PolarHBondContact O-ND2 3.4Å; D97-N99 VanDerWaalsContact C-N 3.29Å; D97-N99 PolarHBondContact O-N 3.48Å; D97-N99 PolarHBondContact O-ND2 3.12Å; N99-I101 HydrophobicContact CB-CD1 4.15Å; N99-I101 HydrophobicContact CB-CG1 3.99Å; N99-S122 PolarHBondContact N-O 3.29Å; N99-N123 VanDerWaalsContact CA-OD1 3.3Å; N99-N123 WeakPolarHBondContact CA-OD1 3.42Å; N99-N123 WeakPolarHBondContact CB-OD1 3.23Å; N99-N123 PolarHBondContact N-OD1 3.27Å; N99-N123 PolarHBondContact O-OD1 3.1Å
100	N	98.1	Very high	97	Very high	43 Å²	43	37.2 Å²	37.2	23%	0.23	18%	0.182	C	C	.	.			trans	-112.1	29.6	178.1	-70.2	-34.5	0	0	0	111.8	N76 L77 T78 D102 N123 R124	N76-N100 PolarHBondContact OD1-ND2 3.17Å; L77-N100 CarbonylContact O-C 3.56Å; L77-N100 VanDerWaalsContact O-CA 3.27Å; L77-N100 WeakPolarHBondContact O-CA 3.19Å; L77-N100 PolarHBondContact O-N 3.48Å; T78-N100 HydrophobicContact CG2-CB 4.45Å; N100-D102 PolarHBondContact O-N 3.4Å; N100-N123 PolarHBondContact N-OD1 3.13Å; N100-R124 VanDerWaalsContact OD1-CZ 3.25Å; N100-R124 PolarHBondContact OD1-NE 3.29Å; N100-R124 PolarHBondContact OD1-NH2 2.92Å
101	I	98.4	Very high	96.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.197	C	C	.	.			trans	-67.8	118.3	-173.2	-58.3	166.3	0	0	0	109.3	L77 T78 L80 L96 N99 V104 L120 N123 R124 I125	L77-I101 HydrophobicContact CB-CD1 4.34Å; L77-I101 HydrophobicContact CB-CG1 3.98Å; L77-I101 PolarHBondContact O-N 3.28Å; L77-I101 VanDerWaalsContact O-N 3.1Å; T78-I101 CarbonylContact O-C 3.23Å; T78-I101 VanDerWaalsContact O-CA 3.26Å; T78-I101 WeakPolarHBondContact O-CA 3.42Å; L80-I101 HydrophobicContact CD1-CD1 4.21Å; L80-I101 HydrophobicContact CD1-CG2 4.5Å; L80-I101 HydrophobicContact CD2-CD1 4.18Å; L80-I101 HydrophobicContact CG-CD1 4.11Å; L80-I101 HydrophobicContact CG-CG2 4.15Å; L96-I101 HydrophobicContact CB-CD1 4.11Å; N99-I101 HydrophobicContact CB-CD1 4.15Å; N99-I101 HydrophobicContact CB-CG1 3.99Å; I101-V104 HydrophobicContact CG2-CG2 3.88Å; I101-L120 HydrophobicContact CD1-CD2 4.43Å; I101-N123 HydrophobicContact CB-CB 4.2Å; I101-N123 VanDerWaalsContact CB-OD1 3.3Å; I101-N123 WeakPolarHBondContact CB-OD1 3.44Å; I101-N123 WeakPolarHBondContact CG1-OD1 3.18Å; I101-N123 PolarHBondContact N-OD1 3.49Å; I101-R124 CarbonylContact O-C 3.17Å; I101-R124 VanDerWaalsContact O-C 3.23Å; I101-R124 WeakPolarHBondContact O-CA 3.39Å; I101-R124 PolarHBondContact O-N 3.18Å; I101-I125 HydrophobicContact CG2-CD1 4.48Å; I101-I125 HydrophobicContact CG2-CG1 4.24Å; I101-I125 WeakPolarHBondContact O-CG1 3.3Å; I101-I125 PolarHBondContact O-N 3Å
102	D	97.7	Very high	96.7	Very high	79 Å²	79	42 Å²	42	42%	0.422	20%	0.197	S	C	.	.			trans	-111.4	-28.9	175.3	58.6	3.9	0	0	0	112.4	T78 N100 R124	T78-D102 PolarHBondContact O-N 3.46Å; N100-D102 PolarHBondContact O-N 3.4Å; D102-R124 HydrophobicContact CB-CB 4.2Å
103	I	97.3	Very high	96.6	Very high	89 Å²	89	49.2 Å²	49.2	46%	0.456	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	128.9	-179.3	-61.5	167.1	0	0	0	111.1	E79 L80	E79-I103 CarbonylContact C-O 3.57Å; E79-I103 VanDerWaalsContact CA-O 3.31Å; E79-I103 WeakPolarHBondContact CA-O 3.39Å; E79-I103 HydrophobicContact CB-CB 4.18Å; L80-I103 PolarHBondContact N-O 3.16Å
104	V	97.9	Very high	96.6	Very high	8 Å²	8	53 Å²	53	5%	0.048	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	111.2	169.9	-176.6	0	0	0	0	108.5	L80 I101 A108 F109 I125 L128 T132	L80-V104 HydrophobicContact CB-CG1 4.34Å; L80-V104 HydrophobicContact CB-CG2 4.49Å; L80-V104 HydrophobicContact CD1-CG1 4.37Å; L80-V104 HydrophobicContact CD1-CG2 4.15Å; I101-V104 HydrophobicContact CG2-CG2 3.88Å; V104-A108 HydrophobicContact CG1-CB 3.88Å; V104-F109 HydrophobicContact CG1-CE2 3.75Å; V104-F109 HydrophobicContact CG1-CZ 4.16Å; V104-I125 HydrophobicContact CG2-CD1 4.03Å; V104-I125 HydrophobicContact CG2-CG1 4.34Å; V104-L128 HydrophobicContact CB-CD2 3.78Å; V104-L128 HydrophobicContact CG1-CD2 4.19Å; V104-L128 HydrophobicContact CG2-CD2 3.98Å; V104-T132 HydrophobicContact CG1-CG2 3.88Å
105	E	96.4	Very high	96.6	Very high	79 Å²	79	53 Å²	53	37%	0.369	24%	0.236	S	C	.	.			trans	-69.8	150.7	178	-66.3	-177.6	169.4	0	0	111.3	L80 R81 E82 G107 A108	L80-E105 PolarHBondContact O-N 2.84Å; R81-E105 WeakPolarHBondContact CA-OE2 3.25Å; E82-E105 WeakPolarHBondContact CB-OE2 3.4Å; E82-E105 PolarHBondContact N-OE2 3.34Å; E105-G107 PolarHBondContact O-N 2.92Å; E105-G107 VanDerWaalsContact O-N 3.13Å; E105-A108 WeakPolarHBondContact O-CB 3.37Å; E105-A108 PolarHBondContact O-N 3.22Å
106	E	94.4	Very high	96.6	Very high	109 Å²	109	55.5 Å²	55.5	51%	0.509	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-36.5	-175.8	-172.6	177.8	177.6	0	0	113	P129 G131	E106-P129 HydrophobicContact CB-CB 4.24Å; E106-P129 HydrophobicContact CB-CG 3.87Å; E106-P129 HydrophobicContact CG-CB 4.39Å; E106-P129 HydrophobicContact CG-CG 4.38Å; E106-G131 WeakPolarHBondContact OE1-CA 3.3Å
107	G	94.1	Very high	96.6	Very high	9 Å²	9	58.2 Å²	58.2	9%	0.093	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	10.1	178.2	0	0	0	0	0	115.4	E105 F109 E110	E105-G107 PolarHBondContact O-N 2.92Å; E105-G107 VanDerWaalsContact O-N 3.13Å; G107-F109 PolarHBondContact O-N 3Å; G107-F109 VanDerWaalsContact O-N 3.16Å; G107-E110 WeakPolarHBondContact O-CB 3.47Å; G107-E110 WeakPolarHBondContact O-CG 3.48Å; G107-E110 PolarHBondContact O-N 2.82Å; G107-E110 VanDerWaalsContact O-N 3.12Å
108	A	96.1	Very high	96.7	Very high	2 Å²	2	58.1 Å²	58.1	2%	0.017	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-36.3	-175.2	0	0	0	0	0	113.2	L80 V104 E105	L80-A108 HydrophobicContact CB-CB 3.93Å; V104-A108 HydrophobicContact CG1-CB 3.88Å; E105-A108 WeakPolarHBondContact O-CB 3.37Å; E105-A108 PolarHBondContact O-N 3.22Å
109	F	96.6	Very high	96.7	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	17.8	-177.3	-55.4	-64.4	0	0	0	114	L80 L85 L94 V104 G107 L112 L118 L120 T132 F133 P135 L136	L80-F109 HydrophobicContact CD1-CE1 4Å; L80-F109 HydrophobicContact CD1-CZ 3.71Å; L85-F109 HydrophobicContact CD1-CD1 3.86Å; L85-F109 HydrophobicContact CD1-CE1 4.01Å; L94-F109 HydrophobicContact CD2-CE1 4.3Å; V104-F109 HydrophobicContact CG1-CE2 3.75Å; V104-F109 HydrophobicContact CG1-CZ 4.16Å; G107-F109 PolarHBondContact O-N 3Å; G107-F109 VanDerWaalsContact O-N 3.16Å; F109-L112 HydrophobicContact CB-CD1 4.18Å; F109-L112 HydrophobicContact CD1-CD1 3.96Å; F109-L112 WeakPolarHBondContact O-CB 3.45Å; F109-L112 PolarHBondContact O-N 2.78Å; F109-L118 HydrophobicContact CD1-CD2 4.41Å; F109-L118 HydrophobicContact CE1-CD1 4.08Å; F109-L118 HydrophobicContact CE1-CD2 4.05Å; F109-L118 HydrophobicContact CE2-CD2 4.22Å; F109-L118 HydrophobicContact CZ-CD1 4.48Å; F109-L118 HydrophobicContact CZ-CD2 3.96Å; F109-L120 HydrophobicContact CE2-CD1 4.37Å; F109-L120 HydrophobicContact CZ-CD1 3.88Å; F109-L120 HydrophobicContact CZ-CD2 4.37Å; F109-T132 HydrophobicContact CD2-CG2 3.7Å; F109-T132 WeakPolarHBondContact CD2-O 3.18Å; F109-T132 HydrophobicContact CE2-CG2 3.56Å; F109-F133 HydrophobicContact CD2-CD1 4.4Å; F109-F133 HydrophobicContact CD2-CE1 4.49Å; F109-F133 HydrophobicContact CE2-CD1 4.45Å; F109-F133 HydrophobicContact CE2-CE1 4.09Å; F109-P135 VanDerWaalsContact O-CB 3.28Å; F109-P135 WeakPolarHBondContact O-CB 3.32Å; F109-L136 HydrophobicContact CB-CD1 4.21Å; F109-L136 HydrophobicContact CB-CD2 4.06Å; F109-L136 HydrophobicContact CB-CG 4.18Å; F109-L136 HydrophobicContact CG-CD1 4.31Å
110	E	93.8	Very high	96.7	Very high	84 Å²	84	54.1 Å²	54.1	39%	0.393	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.9	144.1	177.8	-83	-153.6	161.6	0	0	112.9	G107 L112 P135	G107-E110 WeakPolarHBondContact O-CB 3.47Å; G107-E110 WeakPolarHBondContact O-CG 3.48Å; G107-E110 PolarHBondContact O-N 2.82Å; G107-E110 VanDerWaalsContact O-N 3.12Å; E110-L112 PolarHBondContact O-N 2.87Å; E110-L112 VanDerWaalsContact O-N 3.07Å; E110-P135 HydrophobicContact CG-CG 4.48Å
111	R	90.4	Very high	96.7	Very high	168 Å²	168	52.5 Å²	52.5	63%	0.634	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	-0.5	179.4	-50.9	-175.6	178.6	-169.8	-2.5	116	R113	R111-R113 PolarHBondContact O-N 2.96Å
112	L	95.4	Very high	96.7	Very high	1 Å²	1	54 Å²	54	1%	0.005	24%	0.244	C	C	.	.			trans	-80	42.6	177.4	-60.3	-173.1	0	0	0	113.9	L85 L88 L94 F109 E110 R114 V115 L136	L85-L112 HydrophobicContact CB-CD1 4.07Å; L85-L112 HydrophobicContact CB-CD2 4.42Å; L85-L112 HydrophobicContact CB-CG 4.49Å; L85-L112 HydrophobicContact CD1-CD1 4.02Å; L88-L112 HydrophobicContact CB-CD2 4.03Å; L88-L112 VanDerWaalsContact O-CD2 3.3Å; L88-L112 WeakPolarHBondContact O-CD2 3.17Å; L94-L112 HydrophobicContact CD2-CD1 4.27Å; F109-L112 HydrophobicContact CB-CD1 4.18Å; F109-L112 HydrophobicContact CD1-CD1 3.96Å; F109-L112 WeakPolarHBondContact O-CB 3.45Å; F109-L112 PolarHBondContact O-N 2.78Å; E110-L112 PolarHBondContact O-N 2.87Å; E110-L112 VanDerWaalsContact O-N 3.07Å; L112-R114 PolarHBondContact O-N 2.93Å; L112-V115 HydrophobicContact CB-CG2 3.83Å; L112-V115 HydrophobicContact CD1-CG2 4.45Å; L112-V115 PolarHBondContact O-N 3.07Å; L112-V115 VanDerWaalsContact O-N 3.14Å; L112-L136 HydrophobicContact CB-CD2 3.59Å; L112-L136 VanDerWaalsContact O-CD2 3.3Å; L112-L136 WeakPolarHBondContact O-CD2 3.38Å
113	R	95.3	Very high	96.8	Very high	180 Å²	180	50.7 Å²	50.7	68%	0.679	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-18.7	-171.1	-64.6	-174.7	176.9	-173.3	-0.3	114.6	R111 N138	R111-R113 PolarHBondContact O-N 2.96Å; R113-N138 PolarHBondContact O-ND2 2.83Å
114	R	97.1	Very high	96.8	Very high	115 Å²	115	51.5 Å²	51.5	43%	0.434	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	-10	-177.1	-64	-171.5	72.3	178.6	1.1	113.4	L91 L112 K116	L91-R114 CarbonylContact O-C 3.41Å; L91-R114 VanDerWaalsContact O-CB 3.22Å; L91-R114 WeakPolarHBondContact O-CB 3.27Å; L112-R114 PolarHBondContact O-N 2.93Å; R114-K116 PolarHBondContact O-N 3.47Å
115	V	98.3	Very high	96.9	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	22%	0.221	C	C	.	.			trans	-65	132.8	-179.2	174.6	0	0	0	0	109.7	L91 L112 E117 L136 N138 L139	L91-V115 HydrophobicContact CB-CG2 3.84Å; L91-V115 WeakPolarHBondContact O-CG2 3.49Å; L91-V115 PolarHBondContact O-N 3.37Å; L91-V115 VanDerWaalsContact O-N 3.09Å; L112-V115 HydrophobicContact CB-CG2 3.83Å; L112-V115 HydrophobicContact CD1-CG2 4.45Å; L112-V115 PolarHBondContact O-N 3.07Å; L112-V115 VanDerWaalsContact O-N 3.14Å; V115-E117 WeakPolarHBondContact CG1-O 3.41Å; V115-L136 HydrophobicContact CB-CD2 4.15Å; V115-N138 CarbonylContact O-C 3.13Å; V115-N138 VanDerWaalsContact O-C 3.26Å; V115-L139 HydrophobicContact CG1-CD1 4.02Å; V115-L139 PolarHBondContact O-N 2.84Å
116	K	98.6	Very high	96.9	Very high	94 Å²	94	51.9 Å²	51.9	41%	0.409	23%	0.225	S	C	.	.			trans	-115.3	-23.3	178.5	-62.8	177.3	-175.6	172.1	0	111.3	T92 R114 R140 I141	T92-K116 PolarHBondContact O-N 3.31Å; R114-K116 PolarHBondContact O-N 3.47Å; K116-R140 HydrophobicContact CB-CG 4.37Å; K116-R140 WeakPolarHBondContact O-CA 3.46Å; K116-R140 WeakPolarHBondContact O-CB 3.39Å; K116-R140 PolarHBondContact O-N 3.29Å; K116-I141 PolarHBondContact O-N 2.73Å
117	E	98.8	Very high	97.1	Very high	57 Å²	57	50.7 Å²	50.7	27%	0.266	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	126.4	-176.4	-177.1	174.3	168.7	0	0	109.4	T92 W93 L94 Y95 V115 I141	T92-E117 PolarHBondContact O-N 3.03Å; W93-E117 VanDerWaalsContact CA-O 3.28Å; W93-E117 WeakPolarHBondContact CA-O 3.5Å; W93-E117 HydrophobicContact CB-CB 4.03Å; L94-E117 PolarHBondContact N-O 3.28Å; Y95-E117 HydrophobicContact CE1-CG 3.8Å; Y95-E117 WeakPolarHBondContact CE1-OE1 3.44Å; Y95-E117 VanDerWaalsContact CZ-OE1 3.29Å; Y95-E117 PolarHBondContact OH-OE1 3.43Å; Y95-E117 PolarHBondContact OH-OE2 3.32Å; V115-E117 WeakPolarHBondContact CG1-O 3.41Å; E117-I141 WeakPolarHBondContact CA-O 3.34Å; E117-I141 HydrophobicContact CB-CB 4.39Å; E117-I141 HydrophobicContact CG-CB 4.03Å; E117-I141 HydrophobicContact CG-CG2 4.26Å
118	L	98.8	Very high	97.3	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	118.6	178.4	176.8	59.5	0	0	0	108.2	L94 F109 L120 F133 L136 L139 I141 L142 D143	L94-L118 HydrophobicContact CB-CD1 4.05Å; L94-L118 HydrophobicContact CD2-CD1 3.95Å; L94-L118 HydrophobicContact CG-CD1 4.02Å; L94-L118 WeakPolarHBondContact O-CA 3.43Å; F109-L118 HydrophobicContact CD1-CD2 4.41Å; F109-L118 HydrophobicContact CE1-CD1 4.08Å; F109-L118 HydrophobicContact CE1-CD2 4.05Å; F109-L118 HydrophobicContact CE2-CD2 4.22Å; F109-L118 HydrophobicContact CZ-CD1 4.48Å; F109-L118 HydrophobicContact CZ-CD2 3.96Å; L118-L120 HydrophobicContact CD1-CD1 4.43Å; L118-L120 HydrophobicContact CD1-CG 4.13Å; L118-L120 HydrophobicContact CD2-CD1 3.96Å; L118-L120 HydrophobicContact CD2-CG 4.49Å; L118-L120 HydrophobicContact CG-CD1 4.1Å; L118-L120 HydrophobicContact CG-CG 4.11Å; L118-F133 HydrophobicContact CD2-CD1 4.21Å; L118-F133 HydrophobicContact CD2-CE1 3.87Å; L118-L136 HydrophobicContact CD2-CD1 3.81Å; L118-L139 HydrophobicContact CB-CD1 3.85Å; L118-I141 PolarHBondContact N-O 2.77Å; L118-L142 HydrophobicContact CB-CD1 4.14Å; L118-L142 HydrophobicContact CD2-CD1 4.01Å; L118-L142 HydrophobicContact CG-CD1 4.09Å; L118-L142 WeakPolarHBondContact O-CA 3.19Å; L118-D143 PolarHBondContact O-N 2.92Å
119	D	98.8	Very high	97.3	Very high	17 Å²	17	52.5 Å²	52.5	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	112.3	176.4	-167.3	-11.4	0	0	0	108.8	R73 L94 Y95 L96 S121	R73-D119 IonicContact CZ-OD2 2.77Å; R73-D119 IonicContact NH1-OD2 3.19Å; R73-D119 PolarHBondContact NH1-OD2 3.48Å; R73-D119 IonicContact NH2-OD2 2.73Å; R73-D119 PolarHBondContact NH2-OD2 3.27Å; L94-D119 PolarHBondContact O-N 3.11Å; Y95-D119 HydrophobicContact CD1-CB 3.56Å; Y95-D119 HydrophobicContact CE1-CB 4.21Å; Y95-D119 HydrophobicContact CG-CB 4.44Å; L96-D119 PolarHBondContact N-O 3.28Å; D119-S121 VanDerWaalsContact OD1-CB 3.23Å; D119-S121 WeakPolarHBondContact OD1-CB 3.49Å; D119-S121 PolarHBondContact OD1-N 3.18Å; D119-S121 PolarHBondContact OD1-OG 3.41Å
120	L	98.6	Very high	97.2	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	25%	0.249	C	C	.	.			trans	-118.1	17.6	175.1	-71.4	166.9	0	0	0	110.3	L80 L96 I101 F109 L118 N123 I125 F133 D143 L144 N147	L80-L120 HydrophobicContact CD1-CD2 3.88Å; L96-L120 HydrophobicContact CB-CD2 3.98Å; L96-L120 HydrophobicContact CD1-CD2 3.88Å; I101-L120 HydrophobicContact CD1-CD2 4.43Å; F109-L120 HydrophobicContact CE2-CD1 4.37Å; F109-L120 HydrophobicContact CZ-CD1 3.88Å; F109-L120 HydrophobicContact CZ-CD2 4.37Å; L118-L120 HydrophobicContact CD1-CD1 4.43Å; L118-L120 HydrophobicContact CD1-CG 4.13Å; L118-L120 HydrophobicContact CD2-CD1 3.96Å; L118-L120 HydrophobicContact CD2-CG 4.49Å; L118-L120 HydrophobicContact CG-CD1 4.1Å; L118-L120 HydrophobicContact CG-CG 4.11Å; L120-N123 PolarHBondContact O-ND2 2.8Å; L120-I125 HydrophobicContact CB-CD1 4.24Å; L120-F133 HydrophobicContact CD1-CE1 4.35Å; L120-D143 CarbonylContact C-O 3.04Å; L120-D143 WeakPolarHBondContact CA-O 3.39Å; L120-D143 PolarHBondContact N-O 3.32Å; L120-L144 HydrophobicContact CB-CD2 3.91Å; L120-L144 HydrophobicContact CD1-CD2 3.92Å; L120-N147 PolarHBondContact O-ND2 3.37Å
121	S	98.8	Very high	97.1	Very high	10 Å²	10	50.7 Å²	50.7	7%	0.07	23%	0.232	C	C	.	.			trans	-67.1	159.7	-176.3	67.1	0	0	0	0	112.6	D97 H98 D119 N123 D143 S145	D97-S121 WeakPolarHBondContact CA-O 3.19Å; D97-S121 VanDerWaalsContact CB-O 3.3Å; D97-S121 WeakPolarHBondContact CB-O 3.47Å; D97-S121 WeakPolarHBondContact CB-OG 3.15Å; H98-S121 PolarHBondContact N-O 3.42Å; D119-S121 VanDerWaalsContact OD1-CB 3.23Å; D119-S121 WeakPolarHBondContact OD1-CB 3.49Å; D119-S121 PolarHBondContact OD1-N 3.18Å; D119-S121 PolarHBondContact OD1-OG 3.41Å; S121-N123 PolarHBondContact O-N 2.73Å; S121-N123 PolarHBondContact O-ND2 3.34Å; S121-N123 VanDerWaalsContact O-ND2 3.16Å; S121-D143 PolarHBondContact N-O 2.8Å; S121-S145 CarbonylContact C-O 3.41Å; S121-S145 WeakPolarHBondContact CA-O 3.41Å; S121-S145 WeakPolarHBondContact CB-O 3.18Å
122	S	98.6	Very high	97.5	Very high	31 Å²	31	42.7 Å²	42.7	22%	0.217	20%	0.202	C	C	.	.	S	Bend	trans	54.6	49.7	177.5	-54.3	0	0	0	0	112.8	H98 N99 S145 Y146	H98-S122 VanDerWaalsContact CA-O 3.29Å; H98-S122 WeakPolarHBondContact CA-O 3.38Å; H98-S122 PolarHBondContact N-O 3.07Å; N99-S122 PolarHBondContact N-O 3.29Å; S122-S145 PolarHBondContact N-O 3.37Å; S122-Y146 VanDerWaalsContact CA-O 3.27Å; S122-Y146 WeakPolarHBondContact CA-O 3.32Å; S122-Y146 PolarHBondContact N-O 3.41Å
123	N	98.7	Very high	97.6	Very high	10 Å²	10	42.7 Å²	42.7	5%	0.053	20%	0.202	C	C	.	.	S	Bend	trans	-121.6	-162.9	174.3	-84.8	-73.9	0	0	0	109.4	L96 N99 N100 I101 L120 S121 I125 Y146 N147	L96-N123 PolarHBondContact O-ND2 2.83Å; N99-N123 VanDerWaalsContact CA-OD1 3.3Å; N99-N123 WeakPolarHBondContact CA-OD1 3.42Å; N99-N123 WeakPolarHBondContact CB-OD1 3.23Å; N99-N123 PolarHBondContact N-OD1 3.27Å; N99-N123 PolarHBondContact O-OD1 3.1Å; N100-N123 PolarHBondContact N-OD1 3.13Å; I101-N123 HydrophobicContact CB-CB 4.2Å; I101-N123 VanDerWaalsContact CB-OD1 3.3Å; I101-N123 WeakPolarHBondContact CB-OD1 3.44Å; I101-N123 WeakPolarHBondContact CG1-OD1 3.18Å; I101-N123 PolarHBondContact N-OD1 3.49Å; L120-N123 PolarHBondContact O-ND2 2.8Å; S121-N123 PolarHBondContact O-N 2.73Å; S121-N123 PolarHBondContact O-ND2 3.34Å; S121-N123 VanDerWaalsContact O-ND2 3.16Å; N123-I125 HydrophobicContact CB-CD1 4.36Å; N123-I125 HydrophobicContact CB-CG1 4.17Å; N123-Y146 PolarHBondContact N-O 3.44Å; N123-N147 WeakPolarHBondContact CA-OD1 3.33Å; N123-N147 WeakPolarHBondContact CB-OD1 3.21Å; N123-N147 PolarHBondContact O-OD1 3.48Å
124	R	98.4	Very high	97.6	Very high	105 Å²	105	40.2 Å²	40.2	40%	0.396	19%	0.193	S	C	.	.			trans	-122.4	25.4	-177.3	-57.3	178.4	-171.4	-174.5	3.3	112	N100 I101 D102 E126 N147	N100-R124 VanDerWaalsContact OD1-CZ 3.25Å; N100-R124 PolarHBondContact OD1-NE 3.29Å; N100-R124 PolarHBondContact OD1-NH2 2.92Å; I101-R124 CarbonylContact O-C 3.17Å; I101-R124 VanDerWaalsContact O-C 3.23Å; I101-R124 WeakPolarHBondContact O-CA 3.39Å; I101-R124 PolarHBondContact O-N 3.18Å; D102-R124 HydrophobicContact CB-CB 4.2Å; R124-E126 PolarHBondContact O-N 3.5Å; R124-N147 PolarHBondContact N-OD1 3.39Å
125	I	98.6	Very high	97.6	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.182	C	C	.	.			trans	-68.7	122.9	-173.5	-56	170.8	0	0	0	109.4	I101 V104 L120 N123 S127 L128 N147 R148 L149	I101-I125 HydrophobicContact CG2-CD1 4.48Å; I101-I125 HydrophobicContact CG2-CG1 4.24Å; I101-I125 WeakPolarHBondContact O-CG1 3.3Å; I101-I125 PolarHBondContact O-N 3Å; V104-I125 HydrophobicContact CG2-CD1 4.03Å; V104-I125 HydrophobicContact CG2-CG1 4.34Å; L120-I125 HydrophobicContact CB-CD1 4.24Å; N123-I125 HydrophobicContact CB-CD1 4.36Å; N123-I125 HydrophobicContact CB-CG1 4.17Å; I125-S127 WeakPolarHBondContact CG2-O 3.2Å; I125-L128 HydrophobicContact CG2-CD2 3.73Å; I125-L128 HydrophobicContact CG2-CG 3.88Å; I125-N147 HydrophobicContact CB-CB 4.37Å; I125-N147 WeakPolarHBondContact CB-OD1 3.33Å; I125-N147 WeakPolarHBondContact CG1-OD1 3.27Å; I125-N147 PolarHBondContact N-OD1 3.48Å; I125-R148 CarbonylContact O-C 3.01Å; I125-R148 WeakPolarHBondContact O-CA 3.11Å; I125-R148 PolarHBondContact O-N 2.9Å; I125-L149 HydrophobicContact CB-CD2 4.5Å; I125-L149 HydrophobicContact CG2-CD2 3.83Å; I125-L149 PolarHBondContact O-N 3.19Å
126	E	97.8	Very high	97.5	Very high	95 Å²	95	36.2 Å²	36.2	44%	0.444	18%	0.181	S	C	.	.			trans	-97.6	-29.7	-179.4	-63.7	-171.7	177.2	0	0	113.2	R124 R148 L149 Q150	R124-E126 PolarHBondContact O-N 3.5Å; E126-R148 WeakPolarHBondContact CA-O 3.32Å; E126-R148 HydrophobicContact CG-CB 4.05Å; E126-L149 WeakPolarHBondContact O-CA 3.19Å; E126-Q150 PolarHBondContact O-N 3.4Å
127	S	97.3	Very high	97.4	Very high	85 Å²	85	34.6 Å²	34.6	59%	0.594	18%	0.181	S	C	*	.			trans	-152.6	157.1	178.7	61.9	0	0	0	0	111.2	I125	I125-S127 WeakPolarHBondContact CG2-O 3.2Å
128	L	98.1	Very high	97.4	Very high	5 Å²	5	34.2 Å²	34.2	3%	0.026	18%	0.18	C	C	.	.			trans	-134.1	126.6	175.7	-69.6	171.5	0	0	0	109.4	V104 I125 T132 F133 L144 L149 E153 L156	V104-L128 HydrophobicContact CB-CD2 3.78Å; V104-L128 HydrophobicContact CG1-CD2 4.19Å; V104-L128 HydrophobicContact CG2-CD2 3.98Å; I125-L128 HydrophobicContact CG2-CD2 3.73Å; I125-L128 HydrophobicContact CG2-CG 3.88Å; L128-T132 HydrophobicContact CD2-CG2 4.28Å; L128-F133 HydrophobicContact CD1-CE2 3.84Å; L128-F133 HydrophobicContact CD1-CZ 3.71Å; L128-L144 HydrophobicContact CD1-CD1 3.9Å; L128-L144 HydrophobicContact CD1-CD2 3.86Å; L128-L149 HydrophobicContact CD1-CD2 4.28Å; L128-L149 HydrophobicContact CG-CD2 4.15Å; L128-E153 WeakPolarHBondContact O-CG 3.42Å; L128-L156 HydrophobicContact CB-CD1 3.79Å; L128-L156 HydrophobicContact CB-CD2 4.17Å; L128-L156 HydrophobicContact CD1-CD2 4.4Å
129	P	96.5	Very high	97.4	Very high	44 Å²	44	34.2 Å²	34.2	29%	0.286	18%	0.18	S	C	.	.			trans	-67.9	151.3	178.2	24.3	-31	0	0	0	112.2	E106 G131 T132 L156	E106-P129 HydrophobicContact CB-CB 4.24Å; E106-P129 HydrophobicContact CB-CG 3.87Å; E106-P129 HydrophobicContact CG-CB 4.39Å; E106-P129 HydrophobicContact CG-CG 4.38Å; P129-G131 PolarHBondContact O-N 2.6Å; P129-T132 WeakPolarHBondContact CD-OG1 2.99Å; P129-T132 VanDerWaalsContact CG-OG1 3.29Å; P129-T132 WeakPolarHBondContact CG-OG1 3.02Å; P129-T132 WeakPolarHBondContact O-CB 3.48Å; P129-T132 PolarHBondContact O-N 3.15Å; P129-T132 PolarHBondContact O-OG1 3.27Å; P129-L156 VanDerWaalsContact O-CD1 3.28Å; P129-L156 WeakPolarHBondContact O-CD1 3.44Å
130	N	94.3	Very high	97.4	Very high	42 Å²	42	39.2 Å²	39.2	23%	0.225	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-33.7	-178.1	-81.2	-58.8	0	0	0	114.6	E153 D155 L156	N130-E153 PolarHBondContact ND2-OE2 3.16Å; N130-E153 VanDerWaalsContact ND2-OE2 3.09Å; N130-E153 WeakPolarHBondContact OD1-CB 3.46Å; N130-D155 HydrophobicContact CB-CB 4.24Å; N130-D155 VanDerWaalsContact OD1-CA 3.27Å; N130-D155 WeakPolarHBondContact OD1-CA 3.42Å; N130-D155 WeakPolarHBondContact OD1-CB 3.43Å; N130-D155 PolarHBondContact OD1-N 3.44Å; N130-L156 PolarHBondContact OD1-N 3.32Å
131	G	93.1	Very high	97.4	Very high	4 Å²	4	41.8 Å²	41.8	4%	0.041	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-12.7	-177.2	0	0	0	0	0	115.5	E106 P129 F133 R134 P135	E106-G131 WeakPolarHBondContact OE1-CA 3.3Å; P129-G131 PolarHBondContact O-N 2.6Å; G131-F133 VanDerWaalsContact C-N 3.31Å; G131-F133 PolarHBondContact O-N 3.43Å; G131-F133 VanDerWaalsContact O-N 3.11Å; G131-R134 WeakPolarHBondContact O-CB 3.42Å; G131-R134 PolarHBondContact O-N 2.89Å; G131-P135 WeakPolarHBondContact O-CD 3.33Å
132	T	97.4	Very high	97.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.4	-47.9	-167.2	-55.5	0	0	0	0	113.3	V104 F109 L128 P129	V104-T132 HydrophobicContact CG1-CG2 3.88Å; F109-T132 HydrophobicContact CD2-CG2 3.7Å; F109-T132 WeakPolarHBondContact CD2-O 3.18Å; F109-T132 HydrophobicContact CE2-CG2 3.56Å; L128-T132 HydrophobicContact CD2-CG2 4.28Å; P129-T132 WeakPolarHBondContact CD-OG1 2.99Å; P129-T132 VanDerWaalsContact CG-OG1 3.29Å; P129-T132 WeakPolarHBondContact CG-OG1 3.02Å; P129-T132 WeakPolarHBondContact O-CB 3.48Å; P129-T132 PolarHBondContact O-N 3.15Å; P129-T132 PolarHBondContact O-OG1 3.27Å
133	F	97.9	Very high	97.4	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	-3.3	-174.5	-55.2	-56.8	0	0	0	114.1	F109 L118 L120 L128 G131 P135 L136 L142 L144 L156 F157 L160	F109-F133 HydrophobicContact CD2-CD1 4.4Å; F109-F133 HydrophobicContact CD2-CE1 4.49Å; F109-F133 HydrophobicContact CE2-CD1 4.45Å; F109-F133 HydrophobicContact CE2-CE1 4.09Å; L118-F133 HydrophobicContact CD2-CD1 4.21Å; L118-F133 HydrophobicContact CD2-CE1 3.87Å; L120-F133 HydrophobicContact CD1-CE1 4.35Å; L128-F133 HydrophobicContact CD1-CE2 3.84Å; L128-F133 HydrophobicContact CD1-CZ 3.71Å; G131-F133 VanDerWaalsContact C-N 3.31Å; G131-F133 PolarHBondContact O-N 3.43Å; G131-F133 VanDerWaalsContact O-N 3.11Å; F133-P135 VanDerWaalsContact C-N 3.28Å; F133-L136 HydrophobicContact CD1-CD1 4.04Å; F133-L136 WeakPolarHBondContact O-CB 3.47Å; F133-L136 PolarHBondContact O-N 3.11Å; F133-L142 HydrophobicContact CD1-CD2 4.44Å; F133-L142 HydrophobicContact CD2-CD2 4.08Å; F133-L142 HydrophobicContact CE1-CD1 3.99Å; F133-L142 HydrophobicContact CE1-CD2 4.2Å; F133-L142 HydrophobicContact CE2-CD2 3.81Å; F133-L142 HydrophobicContact CG-CD2 4.38Å; F133-L142 HydrophobicContact CZ-CD1 4.11Å; F133-L142 HydrophobicContact CZ-CD2 3.87Å; F133-L144 HydrophobicContact CE2-CD1 4.14Å; F133-L144 HydrophobicContact CZ-CD1 4.02Å; F133-L144 HydrophobicContact CZ-CD2 4.28Å; F133-L156 HydrophobicContact CD2-CD1 3.76Å; F133-L156 HydrophobicContact CD2-CG 3.98Å; F133-L156 HydrophobicContact CE2-CD1 3.8Å; F133-L156 HydrophobicContact CE2-CD2 4.33Å; F133-L156 HydrophobicContact CE2-CG 4Å; F133-F157 HydrophobicContact CD2-CD1 4.1Å; F133-F157 HydrophobicContact CD2-CE1 4.06Å; F133-F157 HydrophobicContact CE2-CD1 4.49Å; F133-F157 AromaticContact CE2-CE1 3.99Å; F133-F157 HydrophobicContact CE2-CE1 3.99Å; F133-L160 HydrophobicContact CB-CD1 4.04Å; F133-L160 HydrophobicContact CB-CD2 4.34Å
134	R	95.8	Very high	97.4	Very high	128 Å²	128	41 Å²	41	48%	0.483	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-35.9	178.2	-65.3	-177.8	-179.7	-178.3	-6.2	113.4	G131 L136	G131-R134 WeakPolarHBondContact O-CB 3.42Å; G131-R134 PolarHBondContact O-N 2.89Å; R134-L136 PolarHBondContact O-N 3.35Å; R134-L136 VanDerWaalsContact O-N 3.14Å
135	P	96	Very high	97.5	Very high	30 Å²	30	36.2 Å²	36.2	20%	0.195	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-5.9	175.7	-24.6	36.8	0	0	0	115.8	F109 E110 G131 F133 P137	F109-P135 VanDerWaalsContact O-CB 3.28Å; F109-P135 WeakPolarHBondContact O-CB 3.32Å; E110-P135 HydrophobicContact CG-CG 4.48Å; G131-P135 WeakPolarHBondContact O-CD 3.33Å; F133-P135 VanDerWaalsContact C-N 3.28Å; P135-P137 WeakPolarHBondContact O-CD 3.34Å
136	L	97.6	Very high	97.5	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.209	C	C	.	.			trans	-110.8	59.5	-172	-53	179.5	0	0	0	113.4	F109 L112 V115 L118 F133 R134 N138 L139 L160	F109-L136 HydrophobicContact CB-CD1 4.21Å; F109-L136 HydrophobicContact CB-CD2 4.06Å; F109-L136 HydrophobicContact CB-CG 4.18Å; F109-L136 HydrophobicContact CG-CD1 4.31Å; L112-L136 HydrophobicContact CB-CD2 3.59Å; L112-L136 VanDerWaalsContact O-CD2 3.3Å; L112-L136 WeakPolarHBondContact O-CD2 3.38Å; V115-L136 HydrophobicContact CB-CD2 4.15Å; L118-L136 HydrophobicContact CD2-CD1 3.81Å; F133-L136 HydrophobicContact CD1-CD1 4.04Å; F133-L136 WeakPolarHBondContact O-CB 3.47Å; F133-L136 PolarHBondContact O-N 3.11Å; R134-L136 PolarHBondContact O-N 3.35Å; R134-L136 VanDerWaalsContact O-N 3.14Å; L136-N138 PolarHBondContact O-N 3.36Å; L136-L139 HydrophobicContact CB-CB 4.14Å; L136-L139 HydrophobicContact CB-CD2 4.46Å; L136-L139 HydrophobicContact CD1-CD1 4.37Å; L136-L139 HydrophobicContact CD1-CD2 4.16Å; L136-L139 WeakPolarHBondContact O-CB 3.35Å; L136-L139 PolarHBondContact O-N 3.2Å; L136-L139 VanDerWaalsContact O-N 3.12Å; L136-L160 WeakPolarHBondContact O-CD2 3.38Å
137	P	96.4	Very high	97.5	Very high	61 Å²	61	37.8 Å²	37.8	40%	0.396	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-11.4	-173.2	30.6	-38.5	0	0	0	114.5	P135	P135-P137 WeakPolarHBondContact O-CD 3.34Å
138	N	98.1	Very high	97.6	Very high	48 Å²	48	39.4 Å²	39.4	26%	0.257	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	5.6	179.7	-70.1	-57.5	0	0	0	113.9	R113 V115 L136 R140 K162	R113-N138 PolarHBondContact O-ND2 2.83Å; V115-N138 CarbonylContact O-C 3.13Å; V115-N138 VanDerWaalsContact O-C 3.26Å; L136-N138 PolarHBondContact O-N 3.36Å; N138-R140 PolarHBondContact O-N 3.08Å; N138-K162 PolarHBondContact OD1-NZ 3.29Å
139	L	98.7	Very high	97.6	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	18%	0.182	C	C	.	.			trans	-59.7	135.8	179.6	-159.8	66.1	0	0	0	110.7	V115 L118 L136 L142 L160 K162 L163	V115-L139 HydrophobicContact CG1-CD1 4.02Å; V115-L139 PolarHBondContact O-N 2.84Å; L118-L139 HydrophobicContact CB-CD1 3.85Å; L136-L139 HydrophobicContact CB-CB 4.14Å; L136-L139 HydrophobicContact CB-CD2 4.46Å; L136-L139 HydrophobicContact CD1-CD1 4.37Å; L136-L139 HydrophobicContact CD1-CD2 4.16Å; L136-L139 WeakPolarHBondContact O-CB 3.35Å; L136-L139 PolarHBondContact O-N 3.2Å; L136-L139 VanDerWaalsContact O-N 3.12Å; L139-L142 HydrophobicContact CD2-CB 3.98Å; L139-L142 HydrophobicContact CD2-CD1 4.38Å; L139-L142 HydrophobicContact CD2-CD2 4.22Å; L139-L142 HydrophobicContact CD2-CG 4.43Å; L139-L160 HydrophobicContact CB-CD2 4.38Å; L139-L160 HydrophobicContact CD2-CD1 4.41Å; L139-K162 CarbonylContact O-C 3.45Å; L139-L163 HydrophobicContact CD2-CD1 4.2Å; L139-L163 HydrophobicContact CG-CD1 4.1Å; L139-L163 WeakPolarHBondContact O-CA 3.49Å; L139-L163 PolarHBondContact O-N 3.35Å; L139-L163 VanDerWaalsContact O-N 3.12Å
140	R	98.8	Very high	97.6	Very high	123 Å²	123	42.3 Å²	42.3	46%	0.464	19%	0.193	S	C	.	.			trans	-122	-42	-179.4	-62	-175.4	178.5	-168.6	-6.1	110.8	K116 N138 L163 T164 N165	K116-R140 HydrophobicContact CB-CG 4.37Å; K116-R140 WeakPolarHBondContact O-CA 3.46Å; K116-R140 WeakPolarHBondContact O-CB 3.39Å; K116-R140 PolarHBondContact O-N 3.29Å; N138-R140 PolarHBondContact O-N 3.08Å; R140-L163 WeakPolarHBondContact O-CD1 3.33Å; R140-T164 PolarHBondContact O-N 3.48Å; R140-T164 PolarHBondContact O-OG1 2.62Å; R140-N165 PolarHBondContact O-N 3.48Å
141	I	98.9	Very high	97.7	Very high	54 Å²	54	42.1 Å²	42.1	28%	0.277	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126.3	-179.7	-56.6	174.1	0	0	0	107.7	K116 E117 L118 N165	K116-I141 PolarHBondContact O-N 2.73Å; E117-I141 WeakPolarHBondContact CA-O 3.34Å; E117-I141 HydrophobicContact CB-CB 4.39Å; E117-I141 HydrophobicContact CG-CB 4.03Å; E117-I141 HydrophobicContact CG-CG2 4.26Å; L118-I141 PolarHBondContact N-O 2.77Å; I141-N165 WeakPolarHBondContact CA-O 3.43Å; I141-N165 HydrophobicContact CG1-CB 4.2Å; I141-N165 HydrophobicContact CG2-CB 4.32Å
142	L	98.9	Very high	97.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	119.2	172.9	177.1	56.8	0	0	0	108.5	L118 F133 L139 L144 F157 L163 N165 L166 H167	L118-L142 HydrophobicContact CB-CD1 4.14Å; L118-L142 HydrophobicContact CD2-CD1 4.01Å; L118-L142 HydrophobicContact CG-CD1 4.09Å; L118-L142 WeakPolarHBondContact O-CA 3.19Å; F133-L142 HydrophobicContact CD1-CD2 4.44Å; F133-L142 HydrophobicContact CD2-CD2 4.08Å; F133-L142 HydrophobicContact CE1-CD1 3.99Å; F133-L142 HydrophobicContact CE1-CD2 4.2Å; F133-L142 HydrophobicContact CE2-CD2 3.81Å; F133-L142 HydrophobicContact CG-CD2 4.38Å; F133-L142 HydrophobicContact CZ-CD1 4.11Å; F133-L142 HydrophobicContact CZ-CD2 3.87Å; L139-L142 HydrophobicContact CD2-CB 3.98Å; L139-L142 HydrophobicContact CD2-CD1 4.38Å; L139-L142 HydrophobicContact CD2-CD2 4.22Å; L139-L142 HydrophobicContact CD2-CG 4.43Å; L142-L144 HydrophobicContact CD1-CD1 4.45Å; L142-L144 HydrophobicContact CD1-CG 4.13Å; L142-L144 HydrophobicContact CD2-CD1 4Å; L142-L144 HydrophobicContact CG-CD1 4.15Å; L142-L144 HydrophobicContact CG-CG 4.13Å; L142-F157 HydrophobicContact CD2-CD1 4.36Å; L142-F157 HydrophobicContact CD2-CE1 3.86Å; L142-L163 HydrophobicContact CB-CD1 3.92Å; L142-N165 PolarHBondContact N-O 3.45Å; L142-L166 HydrophobicContact CB-CD1 4.02Å; L142-L166 HydrophobicContact CD2-CD1 3.89Å; L142-L166 HydrophobicContact CG-CD1 3.94Å; L142-L166 WeakPolarHBondContact O-CA 3.39Å; L142-H167 PolarHBondContact O-N 3.42Å
143	D	98.9	Very high	97.9	Very high	33 Å²	33	46.3 Å²	46.3	18%	0.176	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	117.9	173.7	-160.4	-21.4	0	0	0	110.6	L118 L120 S121 S145 H167	L118-D143 PolarHBondContact O-N 2.92Å; L120-D143 CarbonylContact C-O 3.04Å; L120-D143 WeakPolarHBondContact CA-O 3.39Å; L120-D143 PolarHBondContact N-O 3.32Å; S121-D143 PolarHBondContact N-O 2.8Å; D143-S145 WeakPolarHBondContact OD1-CB 3.14Å; D143-S145 PolarHBondContact OD1-N 2.93Å; D143-S145 PolarHBondContact OD1-OG 3.32Å; D143-H167 HydrophobicContact CB-CB 4.32Å; D143-H167 WeakPolarHBondContact OD1-CB 3.41Å
144	L	98.8	Very high	97.7	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.237	C	C	.	.			trans	-121.8	17.4	176.3	-71.4	169.4	0	0	0	110.8	L120 L128 F133 L142 N147 L149 H167 L168 N171	L120-L144 HydrophobicContact CB-CD2 3.91Å; L120-L144 HydrophobicContact CD1-CD2 3.92Å; L128-L144 HydrophobicContact CD1-CD1 3.9Å; L128-L144 HydrophobicContact CD1-CD2 3.86Å; F133-L144 HydrophobicContact CE2-CD1 4.14Å; F133-L144 HydrophobicContact CZ-CD1 4.02Å; F133-L144 HydrophobicContact CZ-CD2 4.28Å; L142-L144 HydrophobicContact CD1-CD1 4.45Å; L142-L144 HydrophobicContact CD1-CG 4.13Å; L142-L144 HydrophobicContact CD2-CD1 4Å; L142-L144 HydrophobicContact CG-CD1 4.15Å; L142-L144 HydrophobicContact CG-CG 4.13Å; L144-N147 PolarHBondContact O-ND2 2.9Å; L144-N147 VanDerWaalsContact O-ND2 3.1Å; L144-L149 HydrophobicContact CB-CD1 4.2Å; L144-L149 HydrophobicContact CD1-CD1 4.38Å; L144-H167 WeakPolarHBondContact CA-O 3.35Å; L144-H167 PolarHBondContact N-O 2.84Å; L144-L168 HydrophobicContact CB-CD2 3.83Å; L144-L168 HydrophobicContact CD1-CD2 3.9Å; L144-N171 PolarHBondContact O-ND2 3.1Å
145	S	98.8	Very high	97.7	Very high	6 Å²	6	47.2 Å²	47.2	4%	0.042	23%	0.234	C	C	.	.			trans	-67	157.2	-176.6	-50.5	0	0	0	0	112.2	S121 S122 D143 N147 H167 R169	S121-S145 CarbonylContact C-O 3.41Å; S121-S145 WeakPolarHBondContact CA-O 3.41Å; S121-S145 WeakPolarHBondContact CB-O 3.18Å; S122-S145 PolarHBondContact N-O 3.37Å; D143-S145 WeakPolarHBondContact OD1-CB 3.14Å; D143-S145 PolarHBondContact OD1-N 2.93Å; D143-S145 PolarHBondContact OD1-OG 3.32Å; S145-N147 VanDerWaalsContact C-N 3.28Å; S145-N147 PolarHBondContact O-N 2.78Å; S145-N147 PolarHBondContact O-ND2 3.49Å; S145-H167 WeakPolarHBondContact OG-CB 3.25Å; S145-R169 CarbonylContact C-O 3.09Å; S145-R169 WeakPolarHBondContact CA-O 3.41Å; S145-R169 WeakPolarHBondContact CB-O 3.49Å
146	Y	98.7	Very high	97.8	Very high	117 Å²	117	45.9 Å²	45.9	46%	0.459	23%	0.225	S	C	.	.	S	Bend	trans	54.6	45.5	178.3	-56.9	-88.2	0	0	0	112.3	S122 N123 R169 Y170	S122-Y146 VanDerWaalsContact CA-O 3.27Å; S122-Y146 WeakPolarHBondContact CA-O 3.32Å; S122-Y146 PolarHBondContact N-O 3.41Å; N123-Y146 PolarHBondContact N-O 3.44Å; Y146-R169 PolarHBondContact N-O 2.9Å; Y146-Y170 VanDerWaalsContact CA-O 3.24Å; Y146-Y170 WeakPolarHBondContact CA-O 3.26Å; Y146-Y170 HydrophobicContact CD1-CD1 4.46Å; Y146-Y170 AromaticContact CD1-CD2 3.78Å; Y146-Y170 HydrophobicContact CD1-CD2 3.78Å; Y146-Y170 AromaticContact CD1-CG 3.72Å; Y146-Y170 HydrophobicContact CD1-CG 3.72Å; Y146-Y170 HydrophobicContact CE1-CD1 4.18Å; Y146-Y170 AromaticContact CE1-CD2 3.12Å; Y146-Y170 HydrophobicContact CE1-CD2 3.12Å; Y146-Y170 AromaticContact CE1-CE2 3.53Å; Y146-Y170 HydrophobicContact CE1-CE2 3.53Å; Y146-Y170 AromaticContact CE1-CG 3.49Å; Y146-Y170 HydrophobicContact CE1-CG 3.49Å; Y146-Y170 VanDerWaalsContact CE1-CG 3.49Å; Y146-Y170 HydrophobicContact CE2-CD2 4.02Å; Y146-Y170 HydrophobicContact CG-CD2 4.46Å; Y146-Y170 HydrophobicContact CG-CG 4.49Å; Y146-Y170 AromaticContact CZ-CD2 3.26Å; Y146-Y170 AromaticContact CZ-CE2 3.57Å; Y146-Y170 PolarHBondContact N-O 2.86Å; Y146-Y170 WeakPolarHBondContact OH-CD2 3.22Å; Y146-Y170 VanDerWaalsContact OH-CE2 3.25Å; Y146-Y170 WeakPolarHBondContact OH-CE2 3.3Å
147	N	98.8	Very high	97.8	Very high	10 Å²	10	45.9 Å²	45.9	5%	0.053	23%	0.225	C	C	.	.	S	Bend	trans	-114.7	-164.6	170.9	-85	-75.1	0	0	0	109	L120 N123 R124 I125 L144 S145 L149 Y170 N171	L120-N147 PolarHBondContact O-ND2 3.37Å; N123-N147 WeakPolarHBondContact CA-OD1 3.33Å; N123-N147 WeakPolarHBondContact CB-OD1 3.21Å; N123-N147 PolarHBondContact O-OD1 3.48Å; R124-N147 PolarHBondContact N-OD1 3.39Å; I125-N147 HydrophobicContact CB-CB 4.37Å; I125-N147 WeakPolarHBondContact CB-OD1 3.33Å; I125-N147 WeakPolarHBondContact CG1-OD1 3.27Å; I125-N147 PolarHBondContact N-OD1 3.48Å; L144-N147 PolarHBondContact O-ND2 2.9Å; L144-N147 VanDerWaalsContact O-ND2 3.1Å; S145-N147 VanDerWaalsContact C-N 3.28Å; S145-N147 PolarHBondContact O-N 2.78Å; S145-N147 PolarHBondContact O-ND2 3.49Å; N147-L149 HydrophobicContact CB-CG 4.34Å; N147-Y170 PolarHBondContact N-O 2.01Å; N147-N171 WeakPolarHBondContact CA-OD1 3.42Å; N147-N171 WeakPolarHBondContact CB-OD1 3.44Å; N147-N171 PolarHBondContact O-OD1 2.92Å
148	R	98.3	Very high	97.8	Very high	119 Å²	119	47.7 Å²	47.7	45%	0.449	23%	0.228	S	C	.	.			trans	-123.2	30.7	-178.9	-60.4	176.2	-173.1	172.9	-0	111	I125 E126 Q150 N171 T172	I125-R148 CarbonylContact O-C 3.01Å; I125-R148 WeakPolarHBondContact O-CA 3.11Å; I125-R148 PolarHBondContact O-N 2.9Å; E126-R148 WeakPolarHBondContact CA-O 3.32Å; E126-R148 HydrophobicContact CG-CB 4.05Å; R148-Q150 PolarHBondContact O-N 3.05Å; R148-N171 PolarHBondContact N-OD1 3.48Å; R148-T172 PolarHBondContact O-OG1 2.93Å
149	L	98.5	Very high	97.6	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.005	23%	0.23	C	C	.	.			trans	-61.7	121.6	-177.4	-64.6	170.9	0	0	0	109.1	I125 E126 L128 L144 N147 L152 L168 N171 T172 L173	I125-L149 HydrophobicContact CB-CD2 4.5Å; I125-L149 HydrophobicContact CG2-CD2 3.83Å; I125-L149 PolarHBondContact O-N 3.19Å; E126-L149 WeakPolarHBondContact O-CA 3.19Å; L128-L149 HydrophobicContact CD1-CD2 4.28Å; L128-L149 HydrophobicContact CG-CD2 4.15Å; L144-L149 HydrophobicContact CB-CD1 4.2Å; L144-L149 HydrophobicContact CD1-CD1 4.38Å; N147-L149 HydrophobicContact CB-CG 4.34Å; L149-L152 HydrophobicContact CD1-CD2 4.43Å; L149-L168 HydrophobicContact CD1-CD2 3.89Å; L149-N171 HydrophobicContact CB-CB 4.15Å; L149-N171 VanDerWaalsContact CB-OD1 3.29Å; L149-N171 WeakPolarHBondContact CB-OD1 3.4Å; L149-N171 WeakPolarHBondContact CG-OD1 3.49Å; L149-N171 PolarHBondContact N-OD1 2.96Å; L149-T172 CarbonylContact O-C 3.52Å; L149-T172 WeakPolarHBondContact O-CA 3.46Å; L149-T172 PolarHBondContact O-N 2.9Å; L149-T172 PolarHBondContact O-OG1 2.91Å; L149-L173 HydrophobicContact CB-CD2 3.94Å; L149-L173 PolarHBondContact O-N 3.27Å
150	Q	96.8	Very high	97.6	Very high	109 Å²	109	46.8 Å²	46.8	51%	0.509	23%	0.23	S	C	.	.			trans	-94	-30.6	179.8	-61	-179.5	28.8	0	0	111.9	E126 R148	E126-Q150 PolarHBondContact O-N 3.4Å; R148-Q150 PolarHBondContact O-N 3.05Å
151	A	96.8	Very high	97.5	Very high	38 Å²	38	47.6 Å²	47.6	31%	0.314	23%	0.233	S	C	.	.			trans	-147.2	157.6	178	0	0	0	0	0	110.2	F175	A151-F175 HydrophobicContact CB-CZ 4.12Å
152	L	97.6	Very high	97.5	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.026	24%	0.24	C	C	.	.			trans	-106.2	132.4	168	-56.9	174.3	0	0	0	108.2	L149 L156 F157 L168 L173 P177 I180	L149-L152 HydrophobicContact CD1-CD2 4.43Å; L152-L156 HydrophobicContact CD2-CD2 4.14Å; L152-F157 HydrophobicContact CD1-CE2 4.24Å; L152-L168 HydrophobicContact CD1-CD1 3.94Å; L152-L168 HydrophobicContact CD2-CD2 4.12Å; L152-L173 HydrophobicContact CD1-CD1 4.03Å; L152-L173 HydrophobicContact CD2-CD1 4.28Å; L152-L173 HydrophobicContact CD2-CD2 4Å; L152-L173 HydrophobicContact CG-CD1 4.09Å; L152-L173 HydrophobicContact CG-CD2 3.83Å; L152-P177 HydrophobicContact CB-CG 4.19Å; L152-P177 WeakPolarHBondContact O-CG 3Å; L152-I180 HydrophobicContact CB-CD1 3.39Å; L152-I180 HydrophobicContact CD1-CD1 3.78Å; L152-I180 HydrophobicContact CG-CD1 4.21Å
153	E	96.4	Very high	97.5	Very high	87 Å²	87	49.8 Å²	49.8	41%	0.407	24%	0.24	S	C	.	.			trans	-70.7	140.2	173.7	-76.6	-65.4	143.5	0	0	110.6	L128 N130 D155 L156	L128-E153 WeakPolarHBondContact O-CG 3.42Å; N130-E153 PolarHBondContact ND2-OE2 3.16Å; N130-E153 VanDerWaalsContact ND2-OE2 3.09Å; N130-E153 WeakPolarHBondContact OD1-CB 3.46Å; E153-D155 VanDerWaalsContact C-N 3.29Å; E153-D155 PolarHBondContact O-N 2.79Å; E153-D155 VanDerWaalsContact O-N 3.15Å; E153-L156 HydrophobicContact CB-CB 4.28Å; E153-L156 WeakPolarHBondContact O-CB 3.29Å; E153-L156 PolarHBondContact O-N 3.05Å; E153-L156 VanDerWaalsContact O-N 3.11Å
154	P	94.4	Very high	97.5	Very high	69 Å²	69	49.6 Å²	49.6	45%	0.448	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.3	-168.7	-27.7	35.6	0	0	0	116.2
155	D	95.5	Very high	97.5	Very high	79 Å²	79	51.7 Å²	51.7	42%	0.422	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	12.1	-178.7	-68.8	-39.1	0	0	0	112.8	N130 E153 F157 H158	N130-D155 HydrophobicContact CB-CB 4.24Å; N130-D155 VanDerWaalsContact OD1-CA 3.27Å; N130-D155 WeakPolarHBondContact OD1-CA 3.42Å; N130-D155 WeakPolarHBondContact OD1-CB 3.43Å; N130-D155 PolarHBondContact OD1-N 3.44Å; E153-D155 VanDerWaalsContact C-N 3.29Å; E153-D155 PolarHBondContact O-N 2.79Å; E153-D155 VanDerWaalsContact O-N 3.15Å; D155-F157 PolarHBondContact O-N 3.48Å; D155-H158 HydrophobicContact CB-CB 4.23Å; D155-H158 WeakPolarHBondContact O-CB 3.42Å; D155-H158 PolarHBondContact O-N 3.19Å
156	L	97.8	Very high	97.5	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.01	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-36.6	-176.1	-178.4	61.2	0	0	0	113.3	L128 P129 N130 F133 L152 E153	L128-L156 HydrophobicContact CB-CD1 3.79Å; L128-L156 HydrophobicContact CB-CD2 4.17Å; L128-L156 HydrophobicContact CD1-CD2 4.4Å; P129-L156 VanDerWaalsContact O-CD1 3.28Å; P129-L156 WeakPolarHBondContact O-CD1 3.44Å; N130-L156 PolarHBondContact OD1-N 3.32Å; F133-L156 HydrophobicContact CD2-CD1 3.76Å; F133-L156 HydrophobicContact CD2-CG 3.98Å; F133-L156 HydrophobicContact CE2-CD1 3.8Å; F133-L156 HydrophobicContact CE2-CD2 4.33Å; F133-L156 HydrophobicContact CE2-CG 4Å; L152-L156 HydrophobicContact CD2-CD2 4.14Å; E153-L156 HydrophobicContact CB-CB 4.28Å; E153-L156 WeakPolarHBondContact O-CB 3.29Å; E153-L156 PolarHBondContact O-N 3.05Å; E153-L156 VanDerWaalsContact O-N 3.11Å
157	F	97.8	Very high	97.5	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	15.8	-179.9	-52.7	-51	0	0	0	113.5	F133 L142 L152 D155 G159 L160 L166 L168 I180 F181	F133-F157 HydrophobicContact CD2-CD1 4.1Å; F133-F157 HydrophobicContact CD2-CE1 4.06Å; F133-F157 HydrophobicContact CE2-CD1 4.49Å; F133-F157 AromaticContact CE2-CE1 3.99Å; F133-F157 HydrophobicContact CE2-CE1 3.99Å; L142-F157 HydrophobicContact CD2-CD1 4.36Å; L142-F157 HydrophobicContact CD2-CE1 3.86Å; L152-F157 HydrophobicContact CD1-CE2 4.24Å; D155-F157 PolarHBondContact O-N 3.48Å; F157-G159 PolarHBondContact O-N 3.15Å; F157-L160 HydrophobicContact CB-CD1 4.07Å; F157-L160 HydrophobicContact CD1-CD1 3.93Å; F157-L160 HydrophobicContact CG-CD1 4.47Å; F157-L160 WeakPolarHBondContact O-CB 3.48Å; F157-L160 PolarHBondContact O-N 3.22Å; F157-L166 HydrophobicContact CD2-CD2 4.24Å; F157-L166 HydrophobicContact CE1-CD1 4.27Å; F157-L166 HydrophobicContact CE1-CD2 4.38Å; F157-L166 HydrophobicContact CE2-CD2 3.79Å; F157-L166 HydrophobicContact CZ-CD1 4.2Å; F157-L166 HydrophobicContact CZ-CD2 3.87Å; F157-L168 HydrophobicContact CZ-CD1 4.39Å; F157-I180 HydrophobicContact CD2-CD1 3.88Å; F157-I180 HydrophobicContact CD2-CG1 3.83Å; F157-I180 HydrophobicContact CE2-CD1 3.85Å; F157-I180 HydrophobicContact CE2-CG1 4.32Å; F157-F181 AromaticContact CD2-CD1 4Å; F157-F181 HydrophobicContact CD2-CD1 4Å; F157-F181 AromaticContact CD2-CE1 3.71Å; F157-F181 HydrophobicContact CD2-CE1 3.71Å; F157-F181 AromaticContact CE2-CE1 3.77Å; F157-F181 HydrophobicContact CE2-CE1 3.77Å
158	H	96.4	Very high	97.5	Very high	99 Å²	99	47.2 Å²	47.2	46%	0.458	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	133.4	-179.8	-174	93.3	0	0	0	111.5	D155 L160 D183	D155-H158 HydrophobicContact CB-CB 4.23Å; D155-H158 WeakPolarHBondContact O-CB 3.42Å; D155-H158 PolarHBondContact O-N 3.19Å; H158-L160 VanDerWaalsContact C-N 3.27Å; H158-L160 PolarHBondContact O-N 2.85Å; H158-D183 IonicContact CE1-OD2 3.25Å; H158-D183 IonicContact CG-OD2 3.88Å; H158-D183 IonicContact ND1-OD2 2.58Å; H158-D183 IonicContact NE2-OD2 3.08Å
159	G	95.2	Very high	97.5	Very high	28 Å²	28	44.1 Å²	44.1	29%	0.289	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-2.6	177.9	0	0	0	0	0	116.7	F157 R161 D183	F157-G159 PolarHBondContact O-N 3.15Å; G159-R161 PolarHBondContact O-N 2.88Å; G159-D183 PolarHBondContact N-OD2 3Å
160	L	97.7	Very high	97.5	Very high	2 Å²	2	48 Å²	48	1%	0.01	24%	0.238	C	C	.	.			trans	-75.9	55	178.7	-60.8	-174.4	0	0	0	113.2	F133 L136 L139 F157 H158 K162 L163	F133-L160 HydrophobicContact CB-CD1 4.04Å; F133-L160 HydrophobicContact CB-CD2 4.34Å; L136-L160 WeakPolarHBondContact O-CD2 3.38Å; L139-L160 HydrophobicContact CB-CD2 4.38Å; L139-L160 HydrophobicContact CD2-CD1 4.41Å; F157-L160 HydrophobicContact CB-CD1 4.07Å; F157-L160 HydrophobicContact CD1-CD1 3.93Å; F157-L160 HydrophobicContact CG-CD1 4.47Å; F157-L160 WeakPolarHBondContact O-CB 3.48Å; F157-L160 PolarHBondContact O-N 3.22Å; H158-L160 VanDerWaalsContact C-N 3.27Å; H158-L160 PolarHBondContact O-N 2.85Å; L160-K162 PolarHBondContact O-N 3.09Å; L160-K162 VanDerWaalsContact O-N 3.1Å; L160-L163 HydrophobicContact CB-CB 4.12Å; L160-L163 HydrophobicContact CB-CD2 4.49Å; L160-L163 HydrophobicContact CD1-CD2 4.2Å; L160-L163 VanDerWaalsContact O-CB 3.31Å; L160-L163 WeakPolarHBondContact O-CB 3.41Å; L160-L163 PolarHBondContact O-N 3.13Å; L160-L163 VanDerWaalsContact O-N 3.1Å
161	R	97.6	Very high	97.6	Very high	141 Å²	141	43.3 Å²	43.3	53%	0.532	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-19.3	-172.7	-62.8	179	-177.9	179.1	3.1	114.8	G159 D183 S186	G159-R161 PolarHBondContact O-N 2.88Å; R161-D183 WeakPolarHBondContact CA-O 2.98Å; R161-S186 VanDerWaalsContact O-CB 3.28Å; R161-S186 WeakPolarHBondContact O-CB 3.38Å; R161-S186 PolarHBondContact O-OG 3.34Å
162	K	98.4	Very high	97.7	Very high	99 Å²	99	43.7 Å²	43.7	43%	0.43	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	-2.1	-179.2	-65.6	-175.2	-176.1	175.7	0	113.3	N138 L139 L160 T164	N138-K162 PolarHBondContact OD1-NZ 3.29Å; L139-K162 CarbonylContact O-C 3.45Å; L160-K162 PolarHBondContact O-N 3.09Å; L160-K162 VanDerWaalsContact O-N 3.1Å; K162-T164 PolarHBondContact O-N 2.89Å
163	L	98.7	Very high	97.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.			trans	-63.5	124.9	178.5	-165.1	70.3	0	0	0	109.1	L139 R140 L142 L160 L166 S186 M187	L139-L163 HydrophobicContact CD2-CD1 4.2Å; L139-L163 HydrophobicContact CG-CD1 4.1Å; L139-L163 WeakPolarHBondContact O-CA 3.49Å; L139-L163 PolarHBondContact O-N 3.35Å; L139-L163 VanDerWaalsContact O-N 3.12Å; R140-L163 WeakPolarHBondContact O-CD1 3.33Å; L142-L163 HydrophobicContact CB-CD1 3.92Å; L160-L163 HydrophobicContact CB-CB 4.12Å; L160-L163 HydrophobicContact CB-CD2 4.49Å; L160-L163 HydrophobicContact CD1-CD2 4.2Å; L160-L163 VanDerWaalsContact O-CB 3.31Å; L160-L163 WeakPolarHBondContact O-CB 3.41Å; L160-L163 PolarHBondContact O-N 3.13Å; L160-L163 VanDerWaalsContact O-N 3.1Å; L163-L166 HydrophobicContact CD2-CB 4.21Å; L163-L166 HydrophobicContact CD2-CD2 4.48Å; L163-S186 CarbonylContact O-C 3.42Å; L163-M187 HydrophobicContact CD2-CE 3.72Å; L163-M187 HydrophobicContact CG-CE 4.35Å; L163-M187 VanDerWaalsContact O-CA 3.24Å; L163-M187 WeakPolarHBondContact O-CA 3.25Å; L163-M187 PolarHBondContact O-N 3.26Å
164	T	98.8	Very high	97.8	Very high	30 Å²	30	44.4 Å²	44.4	18%	0.184	22%	0.216	C	C	.	.			trans	-108.7	-36.5	179.6	58.4	0	0	0	0	111.4	R140 K162 Q188 F189	R140-T164 PolarHBondContact O-N 3.48Å; R140-T164 PolarHBondContact O-OG1 2.62Å; K162-T164 PolarHBondContact O-N 2.89Å; T164-Q188 PolarHBondContact O-N 2.95Å; T164-F189 PolarHBondContact O-N 3.18Å
165	N	98.9	Very high	97.8	Very high	43 Å²	43	46.2 Å²	46.2	23%	0.23	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	124.9	-175	-61.3	58.5	0	0	0	109.4	R140 I141 L142 F189	R140-N165 PolarHBondContact O-N 3.48Å; I141-N165 WeakPolarHBondContact CA-O 3.43Å; I141-N165 HydrophobicContact CG1-CB 4.2Å; I141-N165 HydrophobicContact CG2-CB 4.32Å; L142-N165 PolarHBondContact N-O 3.45Å; N165-F189 HydrophobicContact CB-CB 4.48Å
166	L	98.9	Very high	97.9	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	121.6	173.3	177.3	59.6	0	0	0	109.4	L142 F157 L163 L168 F181 M187 F189 L190 D191	L142-L166 HydrophobicContact CB-CD1 4.02Å; L142-L166 HydrophobicContact CD2-CD1 3.89Å; L142-L166 HydrophobicContact CG-CD1 3.94Å; L142-L166 WeakPolarHBondContact O-CA 3.39Å; F157-L166 HydrophobicContact CD2-CD2 4.24Å; F157-L166 HydrophobicContact CE1-CD1 4.27Å; F157-L166 HydrophobicContact CE1-CD2 4.38Å; F157-L166 HydrophobicContact CE2-CD2 3.79Å; F157-L166 HydrophobicContact CZ-CD1 4.2Å; F157-L166 HydrophobicContact CZ-CD2 3.87Å; L163-L166 HydrophobicContact CD2-CB 4.21Å; L163-L166 HydrophobicContact CD2-CD2 4.48Å; L166-L168 HydrophobicContact CD1-CD1 4.41Å; L166-L168 HydrophobicContact CD1-CG 4.22Å; L166-L168 HydrophobicContact CD2-CD1 3.88Å; L166-L168 HydrophobicContact CG-CD1 4.02Å; L166-L168 HydrophobicContact CG-CG 4.17Å; L166-F181 HydrophobicContact CD2-CD1 4.35Å; L166-F181 HydrophobicContact CD2-CE1 3.55Å; L166-F181 HydrophobicContact CD2-CZ 4.36Å; L166-M187 HydrophobicContact CB-CE 3.74Å; L166-M187 HydrophobicContact CD2-CE 3.88Å; L166-M187 HydrophobicContact CG-CE 4.5Å; L166-F189 PolarHBondContact N-O 3.47Å; L166-F189 VanDerWaalsContact N-O 3.08Å; L166-L190 HydrophobicContact CB-CD1 4.05Å; L166-L190 HydrophobicContact CD2-CD1 3.87Å; L166-L190 HydrophobicContact CG-CD1 4.03Å; L166-D191 PolarHBondContact O-N 3.09Å
167	H	98.9	Very high	97.8	Very high	39 Å²	39	43.5 Å²	43.5	18%	0.181	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120	177.1	-54.1	-97.7	0	0	0	109.6	L142 D143 L144 S145 F189	L142-H167 PolarHBondContact O-N 3.42Å; D143-H167 HydrophobicContact CB-CB 4.32Å; D143-H167 WeakPolarHBondContact OD1-CB 3.41Å; L144-H167 WeakPolarHBondContact CA-O 3.35Å; L144-H167 PolarHBondContact N-O 2.84Å; S145-H167 WeakPolarHBondContact OG-CB 3.25Å; H167-F189 AromaticContact CE1-CD1 3.66Å; H167-F189 AromaticContact CE1-CE1 3.22Å; H167-F189 WeakPolarHBondContact CE1-CE1 3.31Å; H167-F189 AromaticContact ND1-CE1 3.36Å; H167-F189 WeakPolarHBondContact ND1-CE1 3.22Å
168	L	98.8	Very high	97.6	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	22%	0.221	C	C	.	.			trans	-127.9	19.6	178.2	-73.7	163.8	0	0	0	110.9	L144 L149 L152 F157 L166 N171 L173 D191 L192 N195	L144-L168 HydrophobicContact CB-CD2 3.83Å; L144-L168 HydrophobicContact CD1-CD2 3.9Å; L149-L168 HydrophobicContact CD1-CD2 3.89Å; L152-L168 HydrophobicContact CD1-CD1 3.94Å; L152-L168 HydrophobicContact CD2-CD2 4.12Å; F157-L168 HydrophobicContact CZ-CD1 4.39Å; L166-L168 HydrophobicContact CD1-CD1 4.41Å; L166-L168 HydrophobicContact CD1-CG 4.22Å; L166-L168 HydrophobicContact CD2-CD1 3.88Å; L166-L168 HydrophobicContact CG-CD1 4.02Å; L166-L168 HydrophobicContact CG-CG 4.17Å; L168-N171 PolarHBondContact O-ND2 2.69Å; L168-L173 HydrophobicContact CB-CD1 4.43Å; L168-D191 CarbonylContact C-O 3.57Å; L168-D191 WeakPolarHBondContact CA-O 3.28Å; L168-D191 WeakPolarHBondContact CB-O 3.49Å; L168-D191 PolarHBondContact N-O 3.43Å; L168-L192 HydrophobicContact CB-CD2 3.96Å; L168-L192 HydrophobicContact CD1-CD2 3.72Å; L168-N195 PolarHBondContact O-ND2 3.1Å
169	R	98.6	Very high	97.5	Very high	54 Å²	54	49.2 Å²	49.2	20%	0.204	23%	0.228	C	C	.	.			trans	-63.1	148.7	-176	-162.5	-168.6	-179.6	96.6	-7.9	111.5	S145 Y146 N171 D191 G193 Y194 E217	S145-R169 CarbonylContact C-O 3.09Å; S145-R169 WeakPolarHBondContact CA-O 3.41Å; S145-R169 WeakPolarHBondContact CB-O 3.49Å; Y146-R169 PolarHBondContact N-O 2.9Å; R169-N171 PolarHBondContact O-ND2 2.85Å; R169-D191 WeakPolarHBondContact CD-OD2 3.45Å; R169-D191 IonicContact NH1-OD1 3.17Å; R169-D191 IonicContact NH1-OD2 3.82Å; R169-D191 PolarHBondContact NH1-OD2 3.29Å; R169-G193 VanDerWaalsContact CA-O 3.24Å; R169-G193 WeakPolarHBondContact CA-O 3.47Å; R169-G193 WeakPolarHBondContact CG-O 3.34Å; R169-Y194 HydrophobicContact CG-CD2 4.21Å; R169-E217 IonicContact CZ-OE1 3.56Å; R169-E217 IonicContact NH1-OE1 3.81Å; R169-E217 PolarHBondContact NH1-OE1 3.38Å; R169-E217 IonicContact NH2-OE1 2.91Å
170	Y	98.6	Very high	97.5	Very high	84 Å²	84	48.2 Å²	48.2	33%	0.329	22%	0.215	S	C	.	.	S	Bend	trans	54.6	59.5	177.7	-72.8	-79.4	0	0	0	111.9	Y146 N147 G193 Y194	Y146-Y170 VanDerWaalsContact CA-O 3.24Å; Y146-Y170 WeakPolarHBondContact CA-O 3.26Å; Y146-Y170 HydrophobicContact CD1-CD1 4.46Å; Y146-Y170 AromaticContact CD1-CD2 3.78Å; Y146-Y170 HydrophobicContact CD1-CD2 3.78Å; Y146-Y170 AromaticContact CD1-CG 3.72Å; Y146-Y170 HydrophobicContact CD1-CG 3.72Å; Y146-Y170 HydrophobicContact CE1-CD1 4.18Å; Y146-Y170 AromaticContact CE1-CD2 3.12Å; Y146-Y170 HydrophobicContact CE1-CD2 3.12Å; Y146-Y170 AromaticContact CE1-CE2 3.53Å; Y146-Y170 HydrophobicContact CE1-CE2 3.53Å; Y146-Y170 AromaticContact CE1-CG 3.49Å; Y146-Y170 HydrophobicContact CE1-CG 3.49Å; Y146-Y170 VanDerWaalsContact CE1-CG 3.49Å; Y146-Y170 HydrophobicContact CE2-CD2 4.02Å; Y146-Y170 HydrophobicContact CG-CD2 4.46Å; Y146-Y170 HydrophobicContact CG-CG 4.49Å; Y146-Y170 AromaticContact CZ-CD2 3.26Å; Y146-Y170 AromaticContact CZ-CE2 3.57Å; Y146-Y170 PolarHBondContact N-O 2.86Å; Y146-Y170 WeakPolarHBondContact OH-CD2 3.22Å; Y146-Y170 VanDerWaalsContact OH-CE2 3.25Å; Y146-Y170 WeakPolarHBondContact OH-CE2 3.3Å; N147-Y170 PolarHBondContact N-O 2.01Å; Y170-G193 PolarHBondContact N-O 3.48Å; Y170-G193 VanDerWaalsContact N-O 3.11Å; Y170-Y194 WeakPolarHBondContact CA-O 3.15Å; Y170-Y194 AromaticContact CD1-CD1 3.92Å; Y170-Y194 HydrophobicContact CD1-CD1 3.92Å; Y170-Y194 AromaticContact CD1-CG 3.91Å; Y170-Y194 HydrophobicContact CD1-CG 3.91Å; Y170-Y194 HydrophobicContact CD2-CD2 4.48Å; Y170-Y194 HydrophobicContact CD2-CG 4.15Å; Y170-Y194 AromaticContact CE1-CD1 3.16Å; Y170-Y194 HydrophobicContact CE1-CD1 3.16Å; Y170-Y194 HydrophobicContact CE1-CD2 4.45Å; Y170-Y194 AromaticContact CE1-CE1 3.8Å; Y170-Y194 HydrophobicContact CE1-CE1 3.8Å; Y170-Y194 AromaticContact CE1-CG 3.51Å; Y170-Y194 HydrophobicContact CE1-CG 3.51Å; Y170-Y194 HydrophobicContact CE2-CD1 4.1Å; Y170-Y194 AromaticContact CE2-CD2 3.99Å; Y170-Y194 HydrophobicContact CE2-CD2 3.99Å; Y170-Y194 HydrophobicContact CE2-CE1 4.45Å; Y170-Y194 HydrophobicContact CE2-CE2 4.43Å; Y170-Y194 AromaticContact CE2-CG 3.8Å; Y170-Y194 HydrophobicContact CE2-CG 3.8Å; Y170-Y194 HydrophobicContact CG-CG 4.21Å; Y170-Y194 AromaticContact CZ-CD1 3.26Å; Y170-Y194 AromaticContact CZ-CD2 3.96Å; Y170-Y194 AromaticContact CZ-CE1 3.53Å; Y170-Y194 AromaticContact CZ-CG 3.46Å; Y170-Y194 VanDerWaalsContact CZ-CG 3.46Å; Y170-Y194 AromaticContact CZ-CZ 3.99Å; Y170-Y194 PolarHBondContact N-O 2.79Å; Y170-Y194 WeakPolarHBondContact OH-CD1 3.32Å; Y170-Y194 WeakPolarHBondContact OH-CE1 3.17Å
171	N	98.8	Very high	97.5	Very high	10 Å²	10	48.1 Å²	48.1	5%	0.053	22%	0.215	C	C	.	.	S	Bend	trans	-125.1	-169.8	168.2	-82.9	-77.6	0	0	0	108.4	L144 N147 R148 L149 L168 R169 L173 Y194 N195	L144-N171 PolarHBondContact O-ND2 3.1Å; N147-N171 WeakPolarHBondContact CA-OD1 3.42Å; N147-N171 WeakPolarHBondContact CB-OD1 3.44Å; N147-N171 PolarHBondContact O-OD1 2.92Å; R148-N171 PolarHBondContact N-OD1 3.48Å; L149-N171 HydrophobicContact CB-CB 4.15Å; L149-N171 VanDerWaalsContact CB-OD1 3.29Å; L149-N171 WeakPolarHBondContact CB-OD1 3.4Å; L149-N171 WeakPolarHBondContact CG-OD1 3.49Å; L149-N171 PolarHBondContact N-OD1 2.96Å; L168-N171 PolarHBondContact O-ND2 2.69Å; R169-N171 PolarHBondContact O-ND2 2.85Å; N171-L173 HydrophobicContact CB-CG 4.2Å; N171-Y194 PolarHBondContact N-O 3.29Å; N171-N195 WeakPolarHBondContact CA-OD1 3.46Å; N171-N195 WeakPolarHBondContact CB-OD1 3.09Å; N171-N195 PolarHBondContact O-OD1 3.11Å
172	T	98.3	Very high	97.4	Very high	45 Å²	45	45.3 Å²	45.3	28%	0.276	21%	0.208	S	C	.	.			trans	-118.6	33.8	-179.6	52	0	0	0	0	111.4	R148 L149 K174 N195	R148-T172 PolarHBondContact O-OG1 2.93Å; L149-T172 CarbonylContact O-C 3.52Å; L149-T172 WeakPolarHBondContact O-CA 3.46Å; L149-T172 PolarHBondContact O-N 2.9Å; L149-T172 PolarHBondContact O-OG1 2.91Å; T172-K174 PolarHBondContact O-N 3.02Å; T172-N195 PolarHBondContact N-OD1 3.09Å
173	L	98.4	Very high	97.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	19%	0.193	C	C	.	.			trans	-69.3	128.1	-176.9	-61.2	176.3	0	0	0	110.3	L149 L152 L168 N171 L192 N195 Q196 L197	L149-L173 HydrophobicContact CB-CD2 3.94Å; L149-L173 PolarHBondContact O-N 3.27Å; L152-L173 HydrophobicContact CD1-CD1 4.03Å; L152-L173 HydrophobicContact CD2-CD1 4.28Å; L152-L173 HydrophobicContact CD2-CD2 4Å; L152-L173 HydrophobicContact CG-CD1 4.09Å; L152-L173 HydrophobicContact CG-CD2 3.83Å; L168-L173 HydrophobicContact CB-CD1 4.43Å; N171-L173 HydrophobicContact CB-CG 4.2Å; L173-L192 HydrophobicContact CD1-CD2 4.12Å; L173-N195 HydrophobicContact CB-CB 4.26Å; L173-N195 VanDerWaalsContact CB-OD1 3.28Å; L173-N195 WeakPolarHBondContact CB-OD1 3.32Å; L173-N195 VanDerWaalsContact CG-OD1 3.32Å; L173-N195 WeakPolarHBondContact CG-OD1 3.43Å; L173-N195 PolarHBondContact N-OD1 3.37Å; L173-Q196 CarbonylContact O-C 3.52Å; L173-Q196 WeakPolarHBondContact O-CA 3.19Å; L173-Q196 PolarHBondContact O-N 2.63Å; L173-L197 HydrophobicContact CB-CD2 4.17Å; L173-L197 PolarHBondContact O-N 2.81Å
174	K	96.8	Very high	97.2	Very high	108 Å²	108	41.7 Å²	41.7	47%	0.47	19%	0.193	S	C	.	.			trans	-95.6	-25.2	179.1	-63.2	-176.5	-179	-179.7	0	114.1	T172 Q196 Q198	T172-K174 PolarHBondContact O-N 3.02Å; K174-Q196 WeakPolarHBondContact CA-O 3.06Å; K174-Q196 HydrophobicContact CG-CB 4.36Å; K174-Q198 PolarHBondContact O-N 3.29Å
175	F	96.1	Very high	97.1	Very high	107 Å²	107	45.8 Å²	45.8	47%	0.469	21%	0.206	S	C	.	.			trans	-150.2	155.1	-179.4	56.1	-90.8	0	0	0	111	A151 P177	A151-F175 HydrophobicContact CB-CZ 4.12Å; F175-P177 HydrophobicContact CD2-CG 4.3Å; F175-P177 HydrophobicContact CE2-CG 4.23Å
176	V	96.7	Very high	97.1	Very high	7 Å²	7	45.3 Å²	45.3	4%	0.042	21%	0.206	C	C	.	.			trans	-102.9	113.8	170.3	-179.3	0	0	0	0	108.5	I180 F181 L192 L197 S204	V176-I180 HydrophobicContact CG1-CG2 3.98Å; V176-F181 HydrophobicContact CG1-CE2 3.73Å; V176-F181 HydrophobicContact CG1-CZ 4.42Å; V176-L192 HydrophobicContact CG2-CD1 3.98Å; V176-L197 HydrophobicContact CG2-CD1 4.05Å; V176-L197 HydrophobicContact CG2-CD2 3.92Å; V176-S204 PolarHBondContact O-OG 2.87Å; V176-S204 VanDerWaalsContact O-OG 3.07Å
177	P	95.7	Very high	97.1	Very high	16 Å²	16	45.3 Å²	45.3	10%	0.104	21%	0.206	C	C	.	.			trans	-57.6	143.6	179.8	-20.2	28.8	0	0	0	112.3	L152 F175 R179 I180	L152-P177 HydrophobicContact CB-CG 4.19Å; L152-P177 WeakPolarHBondContact O-CG 3Å; F175-P177 HydrophobicContact CD2-CG 4.3Å; F175-P177 HydrophobicContact CE2-CG 4.23Å; P177-R179 PolarHBondContact O-N 2.9Å; P177-I180 HydrophobicContact CB-CB 4.23Å; P177-I180 HydrophobicContact CG-CD1 4.13Å; P177-I180 VanDerWaalsContact O-CG2 3.3Å; P177-I180 WeakPolarHBondContact O-CG2 2.79Å; P177-I180 PolarHBondContact O-N 3.19Å
178	V	94.2	Very high	97	Very high	63 Å²	63	48 Å²	48	38%	0.382	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	133.6	-179.9	174	0	0	0	0	109.8	I180 A201	V178-I180 PolarHBondContact O-N 2.72Å; V178-A201 HydrophobicContact CG2-CB 3.68Å
179	R	93	Very high	97	Very high	158 Å²	158	49.6 Å²	49.6	60%	0.596	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	12.8	179	-64.9	-178.9	-62.8	-103.1	1.6	115.8	P177 F181 Q182 A206	P177-R179 PolarHBondContact O-N 2.9Å; R179-F181 PolarHBondContact O-N 2.88Å; R179-F181 VanDerWaalsContact O-N 3.08Å; R179-Q182 HydrophobicContact CB-CB 4.13Å; R179-Q182 WeakPolarHBondContact O-CB 3.3Å; R179-Q182 PolarHBondContact O-N 2.8Å; R179-A206 HydrophobicContact CG-CB 4.48Å
180	I	96.4	Very high	97.1	Very high	6 Å²	6	47 Å²	47	3%	0.031	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-30	176.3	-166.7	177.4	0	0	0	112.7	L152 F157 V176 P177 V178	L152-I180 HydrophobicContact CB-CD1 3.39Å; L152-I180 HydrophobicContact CD1-CD1 3.78Å; L152-I180 HydrophobicContact CG-CD1 4.21Å; F157-I180 HydrophobicContact CD2-CD1 3.88Å; F157-I180 HydrophobicContact CD2-CG1 3.83Å; F157-I180 HydrophobicContact CE2-CD1 3.85Å; F157-I180 HydrophobicContact CE2-CG1 4.32Å; V176-I180 HydrophobicContact CG1-CG2 3.98Å; P177-I180 HydrophobicContact CB-CB 4.23Å; P177-I180 HydrophobicContact CG-CD1 4.13Å; P177-I180 VanDerWaalsContact O-CG2 3.3Å; P177-I180 WeakPolarHBondContact O-CG2 2.79Å; P177-I180 PolarHBondContact O-N 3.19Å; V178-I180 PolarHBondContact O-N 2.72Å
181	F	96.9	Very high	97.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	9.8	179.2	-54.1	-58.9	0	0	0	114.9	F157 L166 V176 R179 D183 C184 M187 L190 F205 A206 L208	F157-F181 AromaticContact CD2-CD1 4Å; F157-F181 HydrophobicContact CD2-CD1 4Å; F157-F181 AromaticContact CD2-CE1 3.71Å; F157-F181 HydrophobicContact CD2-CE1 3.71Å; F157-F181 AromaticContact CE2-CE1 3.77Å; F157-F181 HydrophobicContact CE2-CE1 3.77Å; L166-F181 HydrophobicContact CD2-CD1 4.35Å; L166-F181 HydrophobicContact CD2-CE1 3.55Å; L166-F181 HydrophobicContact CD2-CZ 4.36Å; V176-F181 HydrophobicContact CG1-CE2 3.73Å; V176-F181 HydrophobicContact CG1-CZ 4.42Å; R179-F181 PolarHBondContact O-N 2.88Å; R179-F181 VanDerWaalsContact O-N 3.08Å; F181-D183 PolarHBondContact O-N 2.99Å; F181-C184 HydrophobicContact CB-CB 4.36Å; F181-C184 WeakPolarHBondContact O-CB 3.38Å; F181-C184 PolarHBondContact O-N 3.01Å; F181-M187 HydrophobicContact CD1-CE 4.18Å; F181-L190 HydrophobicContact CD2-CD2 4.37Å; F181-L190 HydrophobicContact CE1-CD1 4.37Å; F181-L190 HydrophobicContact CE2-CD2 3.86Å; F181-L190 HydrophobicContact CZ-CD1 4.12Å; F181-L190 HydrophobicContact CZ-CD2 4.02Å; F181-F205 HydrophobicContact CD2-CD1 4.35Å; F181-F205 HydrophobicContact CE2-CD1 4.33Å; F181-F205 HydrophobicContact CE2-CE1 4.42Å; F181-A206 CarbonylContact C-O 3.56Å; F181-A206 VanDerWaalsContact C-O 3.3Å; F181-L208 HydrophobicContact CB-CD1 4.07Å; F181-L208 HydrophobicContact CB-CD2 3.68Å; F181-L208 HydrophobicContact CB-CG 3.82Å; F181-L208 HydrophobicContact CD2-CD1 3.99Å; F181-L208 HydrophobicContact CG-CD1 4.13Å; F181-L208 HydrophobicContact CG-CD2 4.32Å; F181-L208 HydrophobicContact CG-CG 4.41Å
182	Q	95.8	Very high	97.1	Very high	83 Å²	83	43 Å²	43	39%	0.388	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-34.2	-171.7	-176.2	70.6	37.2	0	0	113.6	R179 A206	R179-Q182 HydrophobicContact CB-CB 4.13Å; R179-Q182 WeakPolarHBondContact O-CB 3.3Å; R179-Q182 PolarHBondContact O-N 2.8Å; Q182-A206 WeakPolarHBondContact CA-O 2.93Å; Q182-A206 PolarHBondContact N-O 3.45Å
183	D	96.3	Very high	97.1	Very high	23 Å²	23	40.9 Å²	40.9	12%	0.123	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-8.9	-180	-82.6	-16	0	0	0	114.4	H158 G159 R161 F181 R185	H158-D183 IonicContact CE1-OD2 3.25Å; H158-D183 IonicContact CG-OD2 3.88Å; H158-D183 IonicContact ND1-OD2 2.58Å; H158-D183 IonicContact NE2-OD2 3.08Å; G159-D183 PolarHBondContact N-OD2 3Å; R161-D183 WeakPolarHBondContact CA-O 2.98Å; F181-D183 PolarHBondContact O-N 2.99Å; D183-R185 PolarHBondContact O-N 3.29Å
184	C	97.3	Very high	97.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.198	C	C	.	.			trans	-79	52.1	-178	-67.1	0	0	0	0	112.6	F181 S186 M187 L208	F181-C184 HydrophobicContact CB-CB 4.36Å; F181-C184 WeakPolarHBondContact O-CB 3.38Å; F181-C184 PolarHBondContact O-N 3.01Å; C184-S186 PolarHBondContact O-N 2.89Å; C184-S186 VanDerWaalsContact O-N 3.11Å; C184-M187 HydrophobicContact CB-CB 4.34Å; C184-M187 HydrophobicContact CB-CE 3.79Å; C184-M187 VanDerWaalsContact O-CB 3.3Å; C184-M187 WeakPolarHBondContact O-CB 3.05Å; C184-M187 PolarHBondContact O-N 2.71Å; C184-M187 VanDerWaalsContact O-N 3.14Å; C184-L208 HydrophobicContact CB-CD2 4.07Å
185	R	96.3	Very high	97.2	Very high	116 Å²	116	39.1 Å²	39.1	44%	0.438	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-14.6	-169.7	-63.1	-169.2	-168.8	172.2	4.5	115.5	D183 F209	D183-R185 PolarHBondContact O-N 3.29Å; R185-F209 HydrophobicContact CB-CE1 3.47Å; R185-F209 VanDerWaalsContact CB-CE1 3.47Å; R185-F209 HydrophobicContact CB-CZ 3.62Å; R185-F209 HydrophobicContact CG-CE1 3.68Å; R185-F209 HydrophobicContact CG-CZ 4.25Å; R185-F209 WeakPolarHBondContact O-CE2 3.5Å; R185-F209 WeakPolarHBondContact O-CZ 3.28Å
186	S	98.1	Very high	97.3	Very high	33 Å²	33	37.3 Å²	37.3	23%	0.231	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.8	1.7	179.4	-57.3	0	0	0	0	113.5	R161 L163 C184 Q188	R161-S186 VanDerWaalsContact O-CB 3.28Å; R161-S186 WeakPolarHBondContact O-CB 3.38Å; R161-S186 PolarHBondContact O-OG 3.34Å; L163-S186 CarbonylContact O-C 3.42Å; C184-S186 PolarHBondContact O-N 2.89Å; C184-S186 VanDerWaalsContact O-N 3.11Å; S186-Q188 PolarHBondContact O-N 3.11Å
187	M	98.4	Very high	97.4	Very high	0 Å²	0	37 Å²	37	0%	0	17%	0.169	C	C	.	.			trans	-65.7	132.3	-174.4	-171.2	175.8	-76.9	0	0	110.7	L163 L166 F181 C184 L190 L208 K210 L211	L163-M187 HydrophobicContact CD2-CE 3.72Å; L163-M187 HydrophobicContact CG-CE 4.35Å; L163-M187 VanDerWaalsContact O-CA 3.24Å; L163-M187 WeakPolarHBondContact O-CA 3.25Å; L163-M187 PolarHBondContact O-N 3.26Å; L166-M187 HydrophobicContact CB-CE 3.74Å; L166-M187 HydrophobicContact CD2-CE 3.88Å; L166-M187 HydrophobicContact CG-CE 4.5Å; F181-M187 HydrophobicContact CD1-CE 4.18Å; C184-M187 HydrophobicContact CB-CB 4.34Å; C184-M187 HydrophobicContact CB-CE 3.79Å; C184-M187 VanDerWaalsContact O-CB 3.3Å; C184-M187 WeakPolarHBondContact O-CB 3.05Å; C184-M187 PolarHBondContact O-N 2.71Å; C184-M187 VanDerWaalsContact O-N 3.14Å; M187-L190 HydrophobicContact SD-CB 4Å; M187-L190 HydrophobicContact SD-CD1 4.28Å; M187-L190 HydrophobicContact SD-CD2 4.34Å; M187-L190 HydrophobicContact SD-CG 4.45Å; M187-L208 HydrophobicContact CB-CD2 3.74Å; M187-L208 HydrophobicContact CE-CD2 4.39Å; M187-L208 HydrophobicContact CG-CD2 4.09Å; M187-L208 HydrophobicContact SD-CD1 4.12Å; M187-L208 HydrophobicContact SD-CD2 3.44Å; M187-L208 WeakPolarHBondContact SD-CD2 3.07Å; M187-L208 HydrophobicContact SD-CG 4.45Å; M187-K210 CarbonylContact O-C 3.3Å; M187-K210 WeakPolarHBondContact O-CB 3.32Å; M187-L211 HydrophobicContact CG-CD1 3.85Å; M187-L211 WeakPolarHBondContact O-CA 3.41Å; M187-L211 PolarHBondContact O-N 3.3Å; M187-L211 HydrophobicContact SD-CD1 4.26Å
188	Q	98.6	Very high	97.3	Very high	96 Å²	96	41.6 Å²	41.6	45%	0.449	19%	0.189	S	C	.	.			trans	-117.3	-33.4	-179.5	-66.6	177	9	0	0	110.8	T164 S186 T212 E213	T164-Q188 PolarHBondContact O-N 2.95Å; S186-Q188 PolarHBondContact O-N 3.11Å; Q188-T212 PolarHBondContact O-N 2.78Å; Q188-T212 PolarHBondContact O-OG1 2.96Å; Q188-E213 PolarHBondContact O-N 2.77Å; Q188-E213 VanDerWaalsContact O-N 3.12Å
189	F	98.9	Very high	97.4	Very high	32 Å²	32	42.3 Å²	42.3	14%	0.14	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	128.5	-177.2	-178.4	-85.2	0	0	0	110.5	T164 N165 L166 H167 D191 E213 H215	T164-F189 PolarHBondContact O-N 3.18Å; N165-F189 HydrophobicContact CB-CB 4.48Å; L166-F189 PolarHBondContact N-O 3.47Å; L166-F189 VanDerWaalsContact N-O 3.08Å; H167-F189 AromaticContact CE1-CD1 3.66Å; H167-F189 AromaticContact CE1-CE1 3.22Å; H167-F189 WeakPolarHBondContact CE1-CE1 3.31Å; H167-F189 AromaticContact ND1-CE1 3.36Å; H167-F189 WeakPolarHBondContact ND1-CE1 3.22Å; F189-D191 HydrophobicContact CE1-CB 3.55Å; F189-D191 HydrophobicContact CZ-CB 3.87Å; F189-E213 HydrophobicContact CD2-CB 4Å; F189-E213 HydrophobicContact CD2-CG 3.99Å; F189-E213 HydrophobicContact CE2-CG 4Å; F189-H215 AromaticContact CE2-CD2 3.66Å; F189-H215 AromaticContact CE2-NE2 3.5Å; F189-H215 WeakPolarHBondContact CE2-NE2 3.26Å; F189-H215 AromaticContact CZ-CD2 3.69Å; F189-H215 AromaticContact CZ-NE2 3.78Å
190	L	98.8	Very high	97.4	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	118.4	174.9	177	58	0	0	0	109.8	L166 F181 M187 L192 F205 L208 L211 E213 L214 H215	L166-L190 HydrophobicContact CB-CD1 4.05Å; L166-L190 HydrophobicContact CD2-CD1 3.87Å; L166-L190 HydrophobicContact CG-CD1 4.03Å; F181-L190 HydrophobicContact CD2-CD2 4.37Å; F181-L190 HydrophobicContact CE1-CD1 4.37Å; F181-L190 HydrophobicContact CE2-CD2 3.86Å; F181-L190 HydrophobicContact CZ-CD1 4.12Å; F181-L190 HydrophobicContact CZ-CD2 4.02Å; M187-L190 HydrophobicContact SD-CB 4Å; M187-L190 HydrophobicContact SD-CD1 4.28Å; M187-L190 HydrophobicContact SD-CD2 4.34Å; M187-L190 HydrophobicContact SD-CG 4.45Å; L190-L192 HydrophobicContact CD1-CD1 4.46Å; L190-L192 HydrophobicContact CD1-CG 4.21Å; L190-L192 HydrophobicContact CD2-CD1 4Å; L190-L192 HydrophobicContact CG-CD1 4.16Å; L190-L192 HydrophobicContact CG-CG 4.22Å; L190-F205 HydrophobicContact CD2-CD1 3.96Å; L190-F205 HydrophobicContact CD2-CE1 3.84Å; L190-L208 HydrophobicContact CD2-CD1 3.86Å; L190-L211 HydrophobicContact CB-CD1 3.74Å; L190-L211 HydrophobicContact CB-CD2 4.5Å; L190-E213 PolarHBondContact N-O 2.91Å; L190-E213 VanDerWaalsContact N-O 3.16Å; L190-L214 HydrophobicContact CB-CD1 4.1Å; L190-L214 HydrophobicContact CD2-CD1 3.91Å; L190-L214 HydrophobicContact CG-CD1 4Å; L190-H215 PolarHBondContact O-N 2.8Å
191	D	98.8	Very high	97.2	Very high	10 Å²	10	37.1 Å²	37.1	5%	0.053	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	111.1	175.1	-171.3	-6	0	0	0	112.8	L166 L168 R169 F189 G193 H215	L166-D191 PolarHBondContact O-N 3.09Å; L168-D191 CarbonylContact C-O 3.57Å; L168-D191 WeakPolarHBondContact CA-O 3.28Å; L168-D191 WeakPolarHBondContact CB-O 3.49Å; L168-D191 PolarHBondContact N-O 3.43Å; R169-D191 WeakPolarHBondContact CD-OD2 3.45Å; R169-D191 IonicContact NH1-OD1 3.17Å; R169-D191 IonicContact NH1-OD2 3.82Å; R169-D191 PolarHBondContact NH1-OD2 3.29Å; F189-D191 HydrophobicContact CE1-CB 3.55Å; F189-D191 HydrophobicContact CZ-CB 3.87Å; D191-G193 PolarHBondContact OD1-N 2.85Å; D191-H215 HydrophobicContact CB-CB 4.2Å; D191-H215 WeakPolarHBondContact OD1-CB 3.38Å
192	L	98.7	Very high	96.6	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.215	C	C	.	.			trans	-117.2	15.3	174.3	-70.2	164.9	0	0	0	111.4	L168 L173 V176 L190 N195 L197 F205 H215 L216 N219	L168-L192 HydrophobicContact CB-CD2 3.96Å; L168-L192 HydrophobicContact CD1-CD2 3.72Å; L173-L192 HydrophobicContact CD1-CD2 4.12Å; V176-L192 HydrophobicContact CG2-CD1 3.98Å; L190-L192 HydrophobicContact CD1-CD1 4.46Å; L190-L192 HydrophobicContact CD1-CG 4.21Å; L190-L192 HydrophobicContact CD2-CD1 4Å; L190-L192 HydrophobicContact CG-CD1 4.16Å; L190-L192 HydrophobicContact CG-CG 4.22Å; L192-N195 PolarHBondContact O-ND2 3.33Å; L192-L197 HydrophobicContact CB-CD1 4.25Å; L192-F205 HydrophobicContact CD1-CE1 3.86Å; L192-F205 HydrophobicContact CD1-CZ 4.24Å; L192-H215 CarbonylContact C-O 3.34Å; L192-H215 WeakPolarHBondContact CA-O 3.44Å; L192-H215 WeakPolarHBondContact CB-O 3.41Å; L192-H215 PolarHBondContact N-O 3.3Å; L192-L216 HydrophobicContact CB-CD2 3.99Å; L192-L216 HydrophobicContact CD1-CD2 4.04Å; L192-N219 PolarHBondContact O-ND2 3.08Å
193	G	98.5	Very high	96.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.213	C	C	.	.			trans	-66.4	157.9	-179	0	0	0	0	0	112.7	R169 Y170 D191 N195 E217	R169-G193 VanDerWaalsContact CA-O 3.24Å; R169-G193 WeakPolarHBondContact CA-O 3.47Å; R169-G193 WeakPolarHBondContact CG-O 3.34Å; Y170-G193 PolarHBondContact N-O 3.48Å; Y170-G193 VanDerWaalsContact N-O 3.11Å; D191-G193 PolarHBondContact OD1-N 2.85Å; G193-N195 PolarHBondContact O-N 2.87Å; G193-N195 PolarHBondContact O-ND2 3.21Å; G193-E217 CarbonylContact C-O 3.09Å; G193-E217 WeakPolarHBondContact CA-O 3.17Å
194	Y	98.7	Very high	96	Very high	62 Å²	62	42.7 Å²	42.7	24%	0.243	21%	0.208	C	C	.	.	S	Bend	trans	55.1	52.9	180	-64.4	-99.5	0	0	0	112.1	R169 Y170 N171 E217 H218	R169-Y194 HydrophobicContact CG-CD2 4.21Å; Y170-Y194 WeakPolarHBondContact CA-O 3.15Å; Y170-Y194 AromaticContact CD1-CD1 3.92Å; Y170-Y194 HydrophobicContact CD1-CD1 3.92Å; Y170-Y194 AromaticContact CD1-CG 3.91Å; Y170-Y194 HydrophobicContact CD1-CG 3.91Å; Y170-Y194 HydrophobicContact CD2-CD2 4.48Å; Y170-Y194 HydrophobicContact CD2-CG 4.15Å; Y170-Y194 AromaticContact CE1-CD1 3.16Å; Y170-Y194 HydrophobicContact CE1-CD1 3.16Å; Y170-Y194 HydrophobicContact CE1-CD2 4.45Å; Y170-Y194 AromaticContact CE1-CE1 3.8Å; Y170-Y194 HydrophobicContact CE1-CE1 3.8Å; Y170-Y194 AromaticContact CE1-CG 3.51Å; Y170-Y194 HydrophobicContact CE1-CG 3.51Å; Y170-Y194 HydrophobicContact CE2-CD1 4.1Å; Y170-Y194 AromaticContact CE2-CD2 3.99Å; Y170-Y194 HydrophobicContact CE2-CD2 3.99Å; Y170-Y194 HydrophobicContact CE2-CE1 4.45Å; Y170-Y194 HydrophobicContact CE2-CE2 4.43Å; Y170-Y194 AromaticContact CE2-CG 3.8Å; Y170-Y194 HydrophobicContact CE2-CG 3.8Å; Y170-Y194 HydrophobicContact CG-CG 4.21Å; Y170-Y194 AromaticContact CZ-CD1 3.26Å; Y170-Y194 AromaticContact CZ-CD2 3.96Å; Y170-Y194 AromaticContact CZ-CE1 3.53Å; Y170-Y194 AromaticContact CZ-CG 3.46Å; Y170-Y194 VanDerWaalsContact CZ-CG 3.46Å; Y170-Y194 AromaticContact CZ-CZ 3.99Å; Y170-Y194 PolarHBondContact N-O 2.79Å; Y170-Y194 WeakPolarHBondContact OH-CD1 3.32Å; Y170-Y194 WeakPolarHBondContact OH-CE1 3.17Å; N171-Y194 PolarHBondContact N-O 3.29Å; Y194-E217 HydrophobicContact CD2-CG 4.47Å; Y194-E217 HydrophobicContact CE2-CG 4.15Å; Y194-E217 PolarHBondContact N-O 3.34Å; Y194-H218 WeakPolarHBondContact CA-O 3.44Å; Y194-H218 HydrophobicContact CD1-CB 3.7Å; Y194-H218 AromaticContact CD1-CG 3.88Å; Y194-H218 HydrophobicContact CD2-CB 3.85Å; Y194-H218 HydrophobicContact CE1-CB 3.89Å; Y194-H218 AromaticContact CE1-CD2 3.69Å; Y194-H218 AromaticContact CE1-CE1 3.99Å; Y194-H218 AromaticContact CE1-CG 3.51Å; Y194-H218 AromaticContact CE1-ND1 3.73Å; Y194-H218 AromaticContact CE1-NE2 3.95Å; Y194-H218 HydrophobicContact CE2-CB 3.93Å; Y194-H218 AromaticContact CE2-CD2 3.21Å; Y194-H218 WeakPolarHBondContact CE2-CD2 3.22Å; Y194-H218 AromaticContact CE2-CG 3.68Å; Y194-H218 AromaticContact CE2-NE2 3.92Å; Y194-H218 HydrophobicContact CG-CB 3.73Å; Y194-H218 AromaticContact CZ-CD2 3.09Å; Y194-H218 AromaticContact CZ-CE1 3.87Å; Y194-H218 AromaticContact CZ-CG 3.44Å; Y194-H218 VanDerWaalsContact CZ-CG 3.44Å; Y194-H218 AromaticContact CZ-ND1 3.91Å; Y194-H218 AromaticContact CZ-NE2 3.36Å; Y194-H218 PolarHBondContact N-O 3.31Å; Y194-H218 PolarHBondContact OH-CD2 3.43Å; Y194-H218 PolarHBondContact OH-NE2 3.39Å
195	N	98.8	Very high	95.9	Very high	10 Å²	10	43 Å²	43	5%	0.053	21%	0.209	C	C	.	.	S	Bend	trans	-123.9	-167.1	173	-85.4	-80.4	0	0	0	109.2	L168 N171 T172 L173 L192 G193 L197 H218 N219	L168-N195 PolarHBondContact O-ND2 3.1Å; N171-N195 WeakPolarHBondContact CA-OD1 3.46Å; N171-N195 WeakPolarHBondContact CB-OD1 3.09Å; N171-N195 PolarHBondContact O-OD1 3.11Å; T172-N195 PolarHBondContact N-OD1 3.09Å; L173-N195 HydrophobicContact CB-CB 4.26Å; L173-N195 VanDerWaalsContact CB-OD1 3.28Å; L173-N195 WeakPolarHBondContact CB-OD1 3.32Å; L173-N195 VanDerWaalsContact CG-OD1 3.32Å; L173-N195 WeakPolarHBondContact CG-OD1 3.43Å; L173-N195 PolarHBondContact N-OD1 3.37Å; L192-N195 PolarHBondContact O-ND2 3.33Å; G193-N195 PolarHBondContact O-N 2.87Å; G193-N195 PolarHBondContact O-ND2 3.21Å; N195-L197 HydrophobicContact CB-CG 4.22Å; N195-H218 PolarHBondContact N-O 2.85Å; N195-N219 WeakPolarHBondContact CA-OD1 3.36Å; N195-N219 WeakPolarHBondContact CB-OD1 3.5Å; N195-N219 PolarHBondContact N-OD1 3.36Å; N195-N219 PolarHBondContact O-OD1 3.29Å
196	Q	98.3	Very high	95.7	Very high	69 Å²	69	38 Å²	38	32%	0.322	19%	0.193	S	C	.	.			trans	-118	35.2	-179.8	-64.5	175.4	-13	0	0	110.6	L173 K174 Q198 N219	L173-Q196 CarbonylContact O-C 3.52Å; L173-Q196 WeakPolarHBondContact O-CA 3.19Å; L173-Q196 PolarHBondContact O-N 2.63Å; K174-Q196 WeakPolarHBondContact CA-O 3.06Å; K174-Q196 HydrophobicContact CG-CB 4.36Å; Q196-Q198 PolarHBondContact O-N 2.91Å; Q196-N219 PolarHBondContact N-OD1 3.13Å
197	L	98.1	Very high	95.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.			trans	-69.5	115.4	-175.7	-61.8	175.9	0	0	0	110.1	L173 V176 L192 N195 L216 N219 E220 L221	L173-L197 HydrophobicContact CB-CD2 4.17Å; L173-L197 PolarHBondContact O-N 2.81Å; V176-L197 HydrophobicContact CG2-CD1 4.05Å; V176-L197 HydrophobicContact CG2-CD2 3.92Å; L192-L197 HydrophobicContact CB-CD1 4.25Å; N195-L197 HydrophobicContact CB-CG 4.22Å; L197-L216 HydrophobicContact CD1-CD2 3.99Å; L197-N219 HydrophobicContact CB-CB 4.12Å; L197-N219 VanDerWaalsContact CB-OD1 3.23Å; L197-N219 WeakPolarHBondContact CB-OD1 3.39Å; L197-N219 WeakPolarHBondContact CG-OD1 3.43Å; L197-N219 PolarHBondContact N-OD1 3.21Å; L197-E220 CarbonylContact O-C 3.04Å; L197-E220 WeakPolarHBondContact O-CA 3.3Å; L197-E220 PolarHBondContact O-N 3.12Å; L197-L221 HydrophobicContact CB-CD2 4.29Å; L197-L221 WeakPolarHBondContact O-CD2 3.45Å; L197-L221 PolarHBondContact O-N 3.48Å
198	Q	95.6	Very high	95.4	Very high	112 Å²	112	37.2 Å²	37.2	52%	0.523	19%	0.189	S	C	.	.			trans	-90.8	-28.7	-178.2	-67.3	176.3	-4.5	0	0	112.8	K174 Q196 E220	K174-Q198 PolarHBondContact O-N 3.29Å; Q196-Q198 PolarHBondContact O-N 2.91Å; Q198-E220 HydrophobicContact CG-CB 4Å; Q198-E220 WeakPolarHBondContact CG-OE2 3.14Å; Q198-E220 PolarHBondContact NE2-OE2 2.98Å
199	S	94.4	Very high	95.3	Very high	78 Å²	78	36.6 Å²	36.6	55%	0.545	19%	0.186	S	C	.	.			trans	-153.5	159.9	178.7	64.7	0	0	0	0	111.4
200	L	94.4	Very high	95.2	Very high	15 Å²	15	39.8 Å²	39.8	8%	0.079	20%	0.199	C	C	.	.			trans	-114.1	127.5	173.9	-61.3	172.7	0	0	0	108.5	F205 L216 L221 H228 F229 M240	L200-F205 HydrophobicContact CD1-CE2 4.18Å; L200-F205 HydrophobicContact CD2-CE2 4.03Å; L200-F205 HydrophobicContact CD2-CZ 4.07Å; L200-L216 HydrophobicContact CD1-CD1 3.92Å; L200-L216 HydrophobicContact CD2-CD2 4.44Å; L200-L221 HydrophobicContact CD1-CD1 4.19Å; L200-L221 HydrophobicContact CD1-CD2 4.42Å; L200-L221 HydrophobicContact CD2-CD2 4.41Å; L200-L221 HydrophobicContact CG-CD2 3.91Å; L200-H228 PolarHBondContact O-CE1 2.82Å; L200-H228 PolarHBondContact O-ND1 3.38Å; L200-F229 HydrophobicContact CD1-CE1 4.05Å; L200-F229 HydrophobicContact CD1-CZ 3.57Å; L200-M240 HydrophobicContact CD1-CE 4.37Å
201	A	91.3	Very high	95.2	Very high	41 Å²	41	39.8 Å²	39.8	34%	0.339	20%	0.199	S	C	.	.			trans	-79.1	151.6	175.8	0	0	0	0	0	110.6	V178 N203 S204	V178-A201 HydrophobicContact CG2-CB 3.68Å; A201-N203 PolarHBondContact O-N 3.29Å; A201-S204 WeakPolarHBondContact CB-OG 3.4Å; A201-S204 PolarHBondContact N-OG 3.44Å; A201-S204 PolarHBondContact O-N 3.31Å; A201-S204 VanDerWaalsContact O-N 3.13Å; A201-S204 PolarHBondContact O-OG 3.15Å
202	R	85.2	Confident	95.2	Very high	158 Å²	158	41.5 Å²	41.5	60%	0.596	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.9	130.1	171.7	-166.6	177.2	-176.5	176.3	2.3	108.8	S204	R202-S204 VanDerWaalsContact C-N 3.32Å; R202-S204 PolarHBondContact O-N 3.36Å
203	N	86.1	Confident	95.2	Very high	65 Å²	65	44.3 Å²	44.3	35%	0.348	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.6	17	-178.2	-48	-51.4	0	0	0	115.8	A201 F205 A206	A201-N203 PolarHBondContact O-N 3.29Å; N203-F205 PolarHBondContact O-N 3.08Å; N203-A206 HydrophobicContact CB-CB 4.15Å; N203-A206 WeakPolarHBondContact O-CB 3.44Å; N203-A206 PolarHBondContact O-N 3.19Å
204	S	92.1	Very high	95.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-34.3	168.7	-71.7	0	0	0	0	112.1	V176 A201 R202	V176-S204 PolarHBondContact O-OG 2.87Å; V176-S204 VanDerWaalsContact O-OG 3.07Å; A201-S204 WeakPolarHBondContact CB-OG 3.4Å; A201-S204 PolarHBondContact N-OG 3.44Å; A201-S204 PolarHBondContact O-N 3.31Å; A201-S204 VanDerWaalsContact O-N 3.13Å; A201-S204 PolarHBondContact O-OG 3.15Å; R202-S204 VanDerWaalsContact C-N 3.32Å; R202-S204 PolarHBondContact O-N 3.36Å
205	F	95.3	Very high	95.2	Very high	5 Å²	5	42.3 Å²	42.3	2%	0.022	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.1	21.8	-179.9	-56.2	-75.6	0	0	0	114	F181 L190 L192 L200 N203 L208 L214 L216 F229 L232	F181-F205 HydrophobicContact CD2-CD1 4.35Å; F181-F205 HydrophobicContact CE2-CD1 4.33Å; F181-F205 HydrophobicContact CE2-CE1 4.42Å; L190-F205 HydrophobicContact CD2-CD1 3.96Å; L190-F205 HydrophobicContact CD2-CE1 3.84Å; L192-F205 HydrophobicContact CD1-CE1 3.86Å; L192-F205 HydrophobicContact CD1-CZ 4.24Å; L200-F205 HydrophobicContact CD1-CE2 4.18Å; L200-F205 HydrophobicContact CD2-CE2 4.03Å; L200-F205 HydrophobicContact CD2-CZ 4.07Å; N203-F205 PolarHBondContact O-N 3.08Å; F205-L208 HydrophobicContact CB-CD1 4.1Å; F205-L208 HydrophobicContact CD1-CD1 3.94Å; F205-L208 WeakPolarHBondContact O-CB 3.36Å; F205-L208 PolarHBondContact O-N 3.09Å; F205-L214 HydrophobicContact CE1-CD1 4.07Å; F205-L214 HydrophobicContact CE1-CD2 4.38Å; F205-L214 HydrophobicContact CZ-CD2 4.44Å; F205-L216 HydrophobicContact CZ-CD1 4.39Å; F205-L216 HydrophobicContact CZ-CD2 4.23Å; F205-F229 AromaticContact CD2-CD1 3.76Å; F205-F229 HydrophobicContact CD2-CD1 3.76Å; F205-F229 AromaticContact CD2-CE1 3.66Å; F205-F229 HydrophobicContact CD2-CE1 3.66Å; F205-F229 HydrophobicContact CE2-CD1 4.07Å; F205-F229 AromaticContact CE2-CE1 3.46Å; F205-F229 HydrophobicContact CE2-CE1 3.46Å; F205-F229 VanDerWaalsContact CE2-CE1 3.46Å; F205-F229 HydrophobicContact CE2-CZ 4.46Å; F205-F229 HydrophobicContact CZ-CE1 4.28Å; F205-L232 HydrophobicContact CB-CD1 4.46Å; F205-L232 HydrophobicContact CB-CD2 4.04Å; F205-L232 HydrophobicContact CB-CG 4.47Å
206	A	93.3	Very high	95.2	Very high	12 Å²	12	41.9 Å²	41.9	10%	0.099	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.5	141.8	176	0	0	0	0	0	111.5	R179 F181 Q182 N203	R179-A206 HydrophobicContact CG-CB 4.48Å; F181-A206 CarbonylContact C-O 3.56Å; F181-A206 VanDerWaalsContact C-O 3.3Å; Q182-A206 WeakPolarHBondContact CA-O 2.93Å; Q182-A206 PolarHBondContact N-O 3.45Å; N203-A206 HydrophobicContact CB-CB 4.15Å; N203-A206 WeakPolarHBondContact O-CB 3.44Å; N203-A206 PolarHBondContact O-N 3.19Å
207	G	93.1	Very high	95.2	Very high	16 Å²	16	38.8 Å²	38.8	17%	0.165	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	93	-15.5	-178	0	0	0	0	0	114.8	F209	G207-F209 VanDerWaalsContact C-N 3.29Å; G207-F209 WeakPolarHBondContact O-CD1 3.33Å; G207-F209 PolarHBondContact O-N 3.21Å
208	L	96.9	Very high	95.2	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.			trans	-85.3	49.3	-175.3	-61.5	-170.9	0	0	0	114.2	F181 C184 M187 L190 F205 K210 L211 L232	F181-L208 HydrophobicContact CB-CD1 4.07Å; F181-L208 HydrophobicContact CB-CD2 3.68Å; F181-L208 HydrophobicContact CB-CG 3.82Å; F181-L208 HydrophobicContact CD2-CD1 3.99Å; F181-L208 HydrophobicContact CG-CD1 4.13Å; F181-L208 HydrophobicContact CG-CD2 4.32Å; F181-L208 HydrophobicContact CG-CG 4.41Å; C184-L208 HydrophobicContact CB-CD2 4.07Å; M187-L208 HydrophobicContact CB-CD2 3.74Å; M187-L208 HydrophobicContact CE-CD2 4.39Å; M187-L208 HydrophobicContact CG-CD2 4.09Å; M187-L208 HydrophobicContact SD-CD1 4.12Å; M187-L208 HydrophobicContact SD-CD2 3.44Å; M187-L208 WeakPolarHBondContact SD-CD2 3.07Å; M187-L208 HydrophobicContact SD-CG 4.45Å; L190-L208 HydrophobicContact CD2-CD1 3.86Å; F205-L208 HydrophobicContact CB-CD1 4.1Å; F205-L208 HydrophobicContact CD1-CD1 3.94Å; F205-L208 WeakPolarHBondContact O-CB 3.36Å; F205-L208 PolarHBondContact O-N 3.09Å; L208-K210 VanDerWaalsContact C-N 3.28Å; L208-K210 PolarHBondContact O-N 2.82Å; L208-L211 HydrophobicContact CB-CB 4.06Å; L208-L211 HydrophobicContact CB-CD2 4.45Å; L208-L211 HydrophobicContact CD1-CD2 4.07Å; L208-L211 WeakPolarHBondContact O-CB 3.32Å; L208-L211 PolarHBondContact O-N 2.85Å; L208-L232 HydrophobicContact CB-CD2 3.62Å; L208-L232 WeakPolarHBondContact O-CD2 3.46Å
209	F	95.2	Very high	95.4	Very high	84 Å²	84	36.4 Å²	36.4	37%	0.368	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-17.5	-174.3	58.2	-93.3	0	0	0	114.6	R185 G207 I233 S234	R185-F209 HydrophobicContact CB-CE1 3.47Å; R185-F209 VanDerWaalsContact CB-CE1 3.47Å; R185-F209 HydrophobicContact CB-CZ 3.62Å; R185-F209 HydrophobicContact CG-CE1 3.68Å; R185-F209 HydrophobicContact CG-CZ 4.25Å; R185-F209 WeakPolarHBondContact O-CE2 3.5Å; R185-F209 WeakPolarHBondContact O-CZ 3.28Å; G207-F209 VanDerWaalsContact C-N 3.29Å; G207-F209 WeakPolarHBondContact O-CD1 3.33Å; G207-F209 PolarHBondContact O-N 3.21Å; F209-I233 HydrophobicContact CB-CD1 4.4Å; F209-I233 HydrophobicContact CB-CG1 4.34Å; F209-S234 WeakPolarHBondContact O-CB 3.41Å; F209-S234 PolarHBondContact O-OG 3.21Å
210	K	97.8	Very high	95.5	Very high	99 Å²	99	35.9 Å²	35.9	43%	0.43	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	1.4	175.5	-73.7	-171.1	178.2	-176.9	0	113.9	M187 L208 T212	M187-K210 CarbonylContact O-C 3.3Å; M187-K210 WeakPolarHBondContact O-CB 3.32Å; L208-K210 VanDerWaalsContact C-N 3.28Å; L208-K210 PolarHBondContact O-N 2.82Å; K210-T212 PolarHBondContact O-N 2.94Å
211	L	98.5	Very high	95.7	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.174	C	C	.	.			trans	-64.9	125.7	-176.8	-168.3	76.5	0	0	0	109.5	M187 L190 L208 L214 L232 S234 L235	M187-L211 HydrophobicContact CG-CD1 3.85Å; M187-L211 WeakPolarHBondContact O-CA 3.41Å; M187-L211 PolarHBondContact O-N 3.3Å; M187-L211 HydrophobicContact SD-CD1 4.26Å; L190-L211 HydrophobicContact CB-CD1 3.74Å; L190-L211 HydrophobicContact CB-CD2 4.5Å; L208-L211 HydrophobicContact CB-CB 4.06Å; L208-L211 HydrophobicContact CB-CD2 4.45Å; L208-L211 HydrophobicContact CD1-CD2 4.07Å; L208-L211 WeakPolarHBondContact O-CB 3.32Å; L208-L211 PolarHBondContact O-N 2.85Å; L211-L214 HydrophobicContact CD2-CB 4.01Å; L211-L214 HydrophobicContact CD2-CD1 4.34Å; L211-L214 HydrophobicContact CD2-CD2 4.46Å; L211-L232 HydrophobicContact CB-CD2 4.26Å; L211-L232 HydrophobicContact CD2-CD1 4.17Å; L211-L232 HydrophobicContact CD2-CD2 3.87Å; L211-S234 CarbonylContact O-C 3.57Å; L211-L235 HydrophobicContact CD2-CD1 4.12Å; L211-L235 HydrophobicContact CG-CD1 4.25Å; L211-L235 VanDerWaalsContact O-CA 3.26Å; L211-L235 WeakPolarHBondContact O-CA 3.45Å; L211-L235 PolarHBondContact O-N 2.96Å; L211-L235 VanDerWaalsContact O-N 3.13Å
212	T	98.4	Very high	96	Very high	46 Å²	46	37.3 Å²	37.3	28%	0.282	18%	0.182	S	C	.	.			trans	-105.8	-30.6	179.8	53.7	0	0	0	0	111.8	Q188 K210 R236 T237	Q188-T212 PolarHBondContact O-N 2.78Å; Q188-T212 PolarHBondContact O-OG1 2.96Å; K210-T212 PolarHBondContact O-N 2.94Å; T212-R236 WeakPolarHBondContact O-CA 3.35Å; T212-R236 WeakPolarHBondContact O-CB 3.16Å; T212-R236 PolarHBondContact O-N 3.16Å; T212-T237 PolarHBondContact O-N 3.06Å
213	E	98.8	Very high	96.5	Very high	58 Å²	58	34.7 Å²	34.7	27%	0.271	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	126.4	-174.9	-173.6	164.5	-166.6	0	0	110.5	Q188 F189 L190 H215 Y239	Q188-E213 PolarHBondContact O-N 2.77Å; Q188-E213 VanDerWaalsContact O-N 3.12Å; F189-E213 HydrophobicContact CD2-CB 4Å; F189-E213 HydrophobicContact CD2-CG 3.99Å; F189-E213 HydrophobicContact CE2-CG 4Å; L190-E213 PolarHBondContact N-O 2.91Å; L190-E213 VanDerWaalsContact N-O 3.16Å; E213-H215 IonicContact OE1-CE1 3.71Å; E213-H215 IonicContact OE1-NE2 3.78Å; E213-H215 PolarHBondContact OE1-NE2 2.94Å; E213-Y239 HydrophobicContact CG-CE2 4.39Å
214	L	98.8	Very high	96.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122.1	-179.9	178.4	57.4	0	0	0	110.3	L190 F205 L211 L216 F229 L232 L235 T237 L238 Y239	L190-L214 HydrophobicContact CB-CD1 4.1Å; L190-L214 HydrophobicContact CD2-CD1 3.91Å; L190-L214 HydrophobicContact CG-CD1 4Å; F205-L214 HydrophobicContact CE1-CD1 4.07Å; F205-L214 HydrophobicContact CE1-CD2 4.38Å; F205-L214 HydrophobicContact CZ-CD2 4.44Å; L211-L214 HydrophobicContact CD2-CB 4.01Å; L211-L214 HydrophobicContact CD2-CD1 4.34Å; L211-L214 HydrophobicContact CD2-CD2 4.46Å; L214-L216 HydrophobicContact CD1-CG 4.24Å; L214-L216 HydrophobicContact CD2-CD1 3.89Å; L214-L216 HydrophobicContact CD2-CG 4.44Å; L214-L216 HydrophobicContact CG-CD1 4.09Å; L214-L216 HydrophobicContact CG-CG 4.11Å; L214-F229 HydrophobicContact CD2-CD1 4.23Å; L214-F229 HydrophobicContact CD2-CE1 3.87Å; L214-L232 HydrophobicContact CD2-CD1 3.84Å; L214-L235 HydrophobicContact CB-CD1 3.94Å; L214-T237 PolarHBondContact N-O 3.32Å; L214-T237 VanDerWaalsContact N-O 3.08Å; L214-L238 HydrophobicContact CB-CD1 4.15Å; L214-L238 HydrophobicContact CD2-CD1 3.94Å; L214-L238 HydrophobicContact CG-CD1 4.08Å; L214-Y239 PolarHBondContact O-N 3.4Å
215	H	98.8	Very high	97	Very high	21 Å²	21	32.8 Å²	32.8	10%	0.097	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	120.4	175.1	-69.7	-99	0	0	0	110.8	F189 L190 D191 L192 E213 E217 Y239	F189-H215 AromaticContact CE2-CD2 3.66Å; F189-H215 AromaticContact CE2-NE2 3.5Å; F189-H215 WeakPolarHBondContact CE2-NE2 3.26Å; F189-H215 AromaticContact CZ-CD2 3.69Å; F189-H215 AromaticContact CZ-NE2 3.78Å; L190-H215 PolarHBondContact O-N 2.8Å; D191-H215 HydrophobicContact CB-CB 4.2Å; D191-H215 WeakPolarHBondContact OD1-CB 3.38Å; L192-H215 CarbonylContact C-O 3.34Å; L192-H215 WeakPolarHBondContact CA-O 3.44Å; L192-H215 WeakPolarHBondContact CB-O 3.41Å; L192-H215 PolarHBondContact N-O 3.3Å; E213-H215 IonicContact OE1-CE1 3.71Å; E213-H215 IonicContact OE1-NE2 3.78Å; E213-H215 PolarHBondContact OE1-NE2 2.94Å; H215-E217 VanDerWaalsContact CA-OE2 3.32Å; H215-E217 WeakPolarHBondContact CA-OE2 3.43Å; H215-E217 WeakPolarHBondContact CB-OE2 3.28Å; H215-E217 IonicContact CG-OE1 2.82Å; H215-E217 IonicContact CG-OE2 3.48Å; H215-E217 IonicContact ND1-OE1 3.11Å; H215-E217 PolarHBondContact ND1-OE1 3.15Å; H215-E217 VanDerWaalsContact ND1-OE1 3.16Å; H215-E217 IonicContact ND1-OE2 2.92Å; H215-E217 PolarHBondContact ND1-OE2 3.4Å; H215-E217 VanDerWaalsContact ND1-OE2 3.16Å; H215-Y239 AromaticContact CE1-CD2 3.29Å; H215-Y239 WeakPolarHBondContact CE1-CD2 3.45Å; H215-Y239 AromaticContact CE1-CE2 3.42Å; H215-Y239 VanDerWaalsContact CE1-CE2 3.42Å; H215-Y239 WeakPolarHBondContact CE1-CE2 3.13Å; H215-Y239 AromaticContact CG-CD2 3.96Å; H215-Y239 AromaticContact ND1-CD2 3.43Å; H215-Y239 WeakPolarHBondContact ND1-CD2 3.48Å; H215-Y239 AromaticContact ND1-CG 3.95Å; H215-Y239 AromaticContact NE2-CD2 3.77Å; H215-Y239 AromaticContact NE2-CE2 3.8Å
216	L	98.6	Very high	96.8	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.165	C	C	.	.			trans	-131.6	14.7	174.9	-68.6	167.9	0	0	0	110.8	L192 L197 L200 F205 L214 N219 L221 F229 L238 Y239 M240 N243	L192-L216 HydrophobicContact CB-CD2 3.99Å; L192-L216 HydrophobicContact CD1-CD2 4.04Å; L197-L216 HydrophobicContact CD1-CD2 3.99Å; L200-L216 HydrophobicContact CD1-CD1 3.92Å; L200-L216 HydrophobicContact CD2-CD2 4.44Å; F205-L216 HydrophobicContact CZ-CD1 4.39Å; F205-L216 HydrophobicContact CZ-CD2 4.23Å; L214-L216 HydrophobicContact CD1-CG 4.24Å; L214-L216 HydrophobicContact CD2-CD1 3.89Å; L214-L216 HydrophobicContact CD2-CG 4.44Å; L214-L216 HydrophobicContact CG-CD1 4.09Å; L214-L216 HydrophobicContact CG-CG 4.11Å; L216-N219 PolarHBondContact O-ND2 3.07Å; L216-N219 VanDerWaalsContact O-ND2 3.12Å; L216-L221 HydrophobicContact CB-CD1 4.48Å; L216-F229 HydrophobicContact CD1-CE1 4.04Å; L216-F229 HydrophobicContact CD1-CZ 3.85Å; L216-L238 HydrophobicContact CD1-CD1 4.47Å; L216-Y239 CarbonylContact C-O 3.12Å; L216-Y239 WeakPolarHBondContact CA-O 3.38Å; L216-Y239 WeakPolarHBondContact CB-O 3.21Å; L216-Y239 PolarHBondContact N-O 3.5Å; L216-M240 HydrophobicContact CB-CG 4.29Å; L216-M240 HydrophobicContact CD1-CE 3.98Å; L216-N243 PolarHBondContact O-ND2 3.14Å
217	E	98.6	Very high	96.5	Very high	4 Å²	4	32.4 Å²	32.4	2%	0.019	16%	0.162	C	C	.	.			trans	-65	158.2	179.2	71.3	-86.8	-165.7	0	0	112.9	R169 G193 Y194 H215 N219 Y239 H241	R169-E217 IonicContact CZ-OE1 3.56Å; R169-E217 IonicContact NH1-OE1 3.81Å; R169-E217 PolarHBondContact NH1-OE1 3.38Å; R169-E217 IonicContact NH2-OE1 2.91Å; G193-E217 CarbonylContact C-O 3.09Å; G193-E217 WeakPolarHBondContact CA-O 3.17Å; Y194-E217 HydrophobicContact CD2-CG 4.47Å; Y194-E217 HydrophobicContact CE2-CG 4.15Å; Y194-E217 PolarHBondContact N-O 3.34Å; H215-E217 VanDerWaalsContact CA-OE2 3.32Å; H215-E217 WeakPolarHBondContact CA-OE2 3.43Å; H215-E217 WeakPolarHBondContact CB-OE2 3.28Å; H215-E217 IonicContact CG-OE1 2.82Å; H215-E217 IonicContact CG-OE2 3.48Å; H215-E217 IonicContact ND1-OE1 3.11Å; H215-E217 PolarHBondContact ND1-OE1 3.15Å; H215-E217 VanDerWaalsContact ND1-OE1 3.16Å; H215-E217 IonicContact ND1-OE2 2.92Å; H215-E217 PolarHBondContact ND1-OE2 3.4Å; H215-E217 VanDerWaalsContact ND1-OE2 3.16Å; E217-N219 PolarHBondContact O-N 2.84Å; E217-N219 PolarHBondContact O-ND2 3.27Å; E217-N219 VanDerWaalsContact O-ND2 3.17Å; E217-Y239 PolarHBondContact N-O 3.34Å; E217-Y239 WeakPolarHBondContact OE2-CB 3.46Å; E217-H241 CarbonylContact C-O 3.44Å; E217-H241 WeakPolarHBondContact CA-O 3.48Å; E217-H241 VanDerWaalsContact CB-CE1 3.44Å; E217-H241 WeakPolarHBondContact CB-CE1 3.5Å; E217-H241 VanDerWaalsContact CB-NE2 3.28Å; E217-H241 WeakPolarHBondContact CB-NE2 3.35Å; E217-H241 WeakPolarHBondContact CB-O 3.37Å; E217-H241 WeakPolarHBondContact CG-NE2 3.35Å
218	H	98.6	Very high	96.3	Very high	55 Å²	55	33.6 Å²	33.6	26%	0.255	16%	0.163	S	C	.	.	S	Bend	trans	53.1	56.2	177.3	-67.1	-87.1	0	0	0	112.1	Y194 N195 H241 N242	Y194-H218 WeakPolarHBondContact CA-O 3.44Å; Y194-H218 HydrophobicContact CD1-CB 3.7Å; Y194-H218 AromaticContact CD1-CG 3.88Å; Y194-H218 HydrophobicContact CD2-CB 3.85Å; Y194-H218 HydrophobicContact CE1-CB 3.89Å; Y194-H218 AromaticContact CE1-CD2 3.69Å; Y194-H218 AromaticContact CE1-CE1 3.99Å; Y194-H218 AromaticContact CE1-CG 3.51Å; Y194-H218 AromaticContact CE1-ND1 3.73Å; Y194-H218 AromaticContact CE1-NE2 3.95Å; Y194-H218 HydrophobicContact CE2-CB 3.93Å; Y194-H218 AromaticContact CE2-CD2 3.21Å; Y194-H218 WeakPolarHBondContact CE2-CD2 3.22Å; Y194-H218 AromaticContact CE2-CG 3.68Å; Y194-H218 AromaticContact CE2-NE2 3.92Å; Y194-H218 HydrophobicContact CG-CB 3.73Å; Y194-H218 AromaticContact CZ-CD2 3.09Å; Y194-H218 AromaticContact CZ-CE1 3.87Å; Y194-H218 AromaticContact CZ-CG 3.44Å; Y194-H218 VanDerWaalsContact CZ-CG 3.44Å; Y194-H218 AromaticContact CZ-ND1 3.91Å; Y194-H218 AromaticContact CZ-NE2 3.36Å; Y194-H218 PolarHBondContact N-O 3.31Å; Y194-H218 PolarHBondContact OH-CD2 3.43Å; Y194-H218 PolarHBondContact OH-NE2 3.39Å; N195-H218 PolarHBondContact N-O 2.85Å; H218-H241 AromaticContact CD2-CE1 3.75Å; H218-H241 PolarHBondContact N-O 3.16Å; H218-H241 AromaticContact NE2-CE1 3.71Å; H218-H241 AromaticContact NE2-ND1 3.96Å; H218-N242 WeakPolarHBondContact CA-O 3.24Å; H218-N242 VanDerWaalsContact CE1-CB 3.48Å; H218-N242 WeakPolarHBondContact CE1-CB 3.47Å; H218-N242 PolarHBondContact CE1-OD1 2.85Å; H218-N242 PolarHBondContact N-O 2.96Å; H218-N242 WeakPolarHBondContact ND1-CB 3.3Å; H218-N242 PolarHBondContact NE2-OD1 3.19Å
219	N	98.7	Very high	95.9	Very high	7 Å²	7	33.7 Å²	33.7	4%	0.037	16%	0.164	C	C	.	.	S	Bend	trans	-128.5	-172.1	174.5	-86.1	-77	0	0	0	109.4	L192 N195 Q196 L197 L216 E217 L221 N242 N243	L192-N219 PolarHBondContact O-ND2 3.08Å; N195-N219 WeakPolarHBondContact CA-OD1 3.36Å; N195-N219 WeakPolarHBondContact CB-OD1 3.5Å; N195-N219 PolarHBondContact N-OD1 3.36Å; N195-N219 PolarHBondContact O-OD1 3.29Å; Q196-N219 PolarHBondContact N-OD1 3.13Å; L197-N219 HydrophobicContact CB-CB 4.12Å; L197-N219 VanDerWaalsContact CB-OD1 3.23Å; L197-N219 WeakPolarHBondContact CB-OD1 3.39Å; L197-N219 WeakPolarHBondContact CG-OD1 3.43Å; L197-N219 PolarHBondContact N-OD1 3.21Å; L216-N219 PolarHBondContact O-ND2 3.07Å; L216-N219 VanDerWaalsContact O-ND2 3.12Å; E217-N219 PolarHBondContact O-N 2.84Å; E217-N219 PolarHBondContact O-ND2 3.27Å; E217-N219 VanDerWaalsContact O-ND2 3.17Å; N219-L221 HydrophobicContact CB-CG 4.34Å; N219-N242 PolarHBondContact N-O 3.12Å; N219-N243 VanDerWaalsContact CA-OD1 3.31Å; N219-N243 WeakPolarHBondContact CA-OD1 3.15Å; N219-N243 WeakPolarHBondContact CB-OD1 3.49Å; N219-N243 PolarHBondContact N-OD1 3.02Å; N219-N243 PolarHBondContact O-OD1 3.03Å
220	E	98.1	Very high	95.5	Very high	68 Å²	68	31.4 Å²	31.4	32%	0.318	16%	0.157	S	C	.	.			trans	-109.4	29.1	-177	-62.3	178.1	-173.4	0	0	112.1	L197 Q198 V222 N243	L197-E220 CarbonylContact O-C 3.04Å; L197-E220 WeakPolarHBondContact O-CA 3.3Å; L197-E220 PolarHBondContact O-N 3.12Å; Q198-E220 HydrophobicContact CG-CB 4Å; Q198-E220 WeakPolarHBondContact CG-OE2 3.14Å; Q198-E220 PolarHBondContact NE2-OE2 2.98Å; E220-V222 PolarHBondContact O-N 3.3Å; E220-N243 PolarHBondContact N-OD1 3.23Å
221	L	97.8	Very high	95	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.016	17%	0.167	C	C	.	.			trans	-71.8	123.2	-174.5	-61.4	173.2	0	0	0	110.9	L197 L200 L216 N219 M240 N243 H244 A245	L197-L221 HydrophobicContact CB-CD2 4.29Å; L197-L221 WeakPolarHBondContact O-CD2 3.45Å; L197-L221 PolarHBondContact O-N 3.48Å; L200-L221 HydrophobicContact CD1-CD1 4.19Å; L200-L221 HydrophobicContact CD1-CD2 4.42Å; L200-L221 HydrophobicContact CD2-CD2 4.41Å; L200-L221 HydrophobicContact CG-CD2 3.91Å; L216-L221 HydrophobicContact CB-CD1 4.48Å; N219-L221 HydrophobicContact CB-CG 4.34Å; L221-M240 HydrophobicContact CD1-CE 3.69Å; L221-N243 HydrophobicContact CB-CB 4.17Å; L221-N243 VanDerWaalsContact CB-OD1 3.26Å; L221-N243 WeakPolarHBondContact CB-OD1 3.14Å; L221-N243 VanDerWaalsContact CG-OD1 3.3Å; L221-N243 WeakPolarHBondContact CG-OD1 3.01Å; L221-N243 PolarHBondContact N-OD1 3.03Å; L221-H244 CarbonylContact O-C 3.51Å; L221-H244 WeakPolarHBondContact O-CA 3.28Å; L221-H244 PolarHBondContact O-N 3.03Å; L221-A245 WeakPolarHBondContact O-CA 3.12Å; L221-A245 PolarHBondContact O-N 2.98Å
222	V	96.8	Very high	94.8	Very high	83 Å²	83	34.8 Å²	34.8	50%	0.503	17%	0.167	S	C	.	.			trans	-90.5	-18	-178.7	-176.3	0	0	0	0	113.1	E220 H244 A245 T246	E220-V222 PolarHBondContact O-N 3.3Å; V222-H244 WeakPolarHBondContact CA-O 3.27Å; V222-A245 WeakPolarHBondContact O-CA 3.26Å; V222-T246 PolarHBondContact O-N 3.37Å
223	K	95.9	Very high	94.6	Very high	103 Å²	103	37.2 Å²	37.2	45%	0.448	18%	0.177	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	131.3	-176.8	176.9	168.3	-173	171.9	0	111.2	I247	K223-I247 HydrophobicContact CB-CG1 4.47Å; K223-I247 HydrophobicContact CD-CD1 3.89Å; K223-I247 HydrophobicContact CD-CG1 4.14Å; K223-I247 HydrophobicContact CG-CD1 4.25Å; K223-I247 HydrophobicContact CG-CG1 3.93Å
224	V	95.4	Very high	94.5	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.018	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	106.9	168.7	179	0	0	0	0	108.3	L226 M240 A245 I247 V248 V249 L264	V224-L226 HydrophobicContact CG1-CD2 3.88Å; V224-M240 HydrophobicContact CG1-CE 4.41Å; V224-M240 HydrophobicContact CG1-SD 3.96Å; V224-M240 HydrophobicContact CG2-CE 4.12Å; V224-M240 HydrophobicContact CG2-SD 4.22Å; V224-A245 HydrophobicContact CG2-CB 3.74Å; V224-I247 PolarHBondContact N-O 3.23Å; V224-V248 HydrophobicContact CB-CG1 4.22Å; V224-V248 HydrophobicContact CB-CG2 4.26Å; V224-V248 HydrophobicContact CG1-CG1 4.01Å; V224-V248 WeakPolarHBondContact O-CA 3.26Å; V224-V249 PolarHBondContact O-N 2.93Å; V224-L264 HydrophobicContact CG1-CD2 4.36Å; V224-L264 HydrophobicContact CG2-CD2 3.97Å
225	N	93.9	Very high	94.5	Very high	21 Å²	21	36.2 Å²	36.2	11%	0.112	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	108.8	170.3	-175.9	3.7	0	0	0	108.9	A227 H228 V249	N225-A227 PolarHBondContact O-N 3.11Å; N225-A227 WeakPolarHBondContact OD1-CB 3.49Å; N225-A227 PolarHBondContact OD1-N 3.04Å; N225-H228 PolarHBondContact O-N 2.95Å; N225-V249 WeakPolarHBondContact CA-O 3.31Å; N225-V249 HydrophobicContact CB-CG2 3.96Å
226	L	90.9	Very high	94.5	Very high	5 Å²	5	40 Å²	40	3%	0.026	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-61.6	-21	-179.8	-59.1	-173.2	0	0	0	111.5	V224 H228 F229 V249 N250 W254 W256 V276	V224-L226 HydrophobicContact CG1-CD2 3.88Å; L226-H228 PolarHBondContact O-N 3.26Å; L226-F229 PolarHBondContact O-N 3.19Å; L226-V249 PolarHBondContact N-O 3.06Å; L226-N250 HydrophobicContact CB-CB 4.41Å; L226-W254 HydrophobicContact CB-CH2 3.95Å; L226-W254 HydrophobicContact CB-CZ2 3.74Å; L226-W254 VanDerWaalsContact O-CH2 3.3Å; L226-W254 WeakPolarHBondContact O-CH2 3.41Å; L226-W254 WeakPolarHBondContact O-CZ2 3.45Å; L226-W256 HydrophobicContact CB-CH2 3.89Å; L226-W256 HydrophobicContact CB-CZ3 4.21Å; L226-W256 HydrophobicContact CD1-CH2 4.44Å; L226-W256 HydrophobicContact CD1-CZ3 3.92Å; L226-W256 HydrophobicContact CD2-CH2 3.99Å; L226-W256 HydrophobicContact CD2-CZ3 3.98Å; L226-W256 HydrophobicContact CG-CH2 4.32Å; L226-W256 HydrophobicContact CG-CZ3 4.26Å; L226-V276 HydrophobicContact CD1-CG1 3.56Å; L226-V276 HydrophobicContact CG-CG1 4.38Å
227	A	87.2	Confident	94.5	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.033	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-68.1	-4.4	-179.6	0	0	0	0	0	114.4	N225 F229 P230 T251 L252 W254	N225-A227 PolarHBondContact O-N 3.11Å; N225-A227 WeakPolarHBondContact OD1-CB 3.49Å; N225-A227 PolarHBondContact OD1-N 3.04Å; A227-F229 VanDerWaalsContact C-N 3.31Å; A227-P230 VanDerWaalsContact O-CD 3.26Å; A227-P230 WeakPolarHBondContact O-CD 3.17Å; A227-T251 WeakPolarHBondContact CB-OG1 3.39Å; A227-L252 HydrophobicContact CB-CD1 3.92Å; A227-L252 HydrophobicContact CB-CG 4.07Å; A227-W254 HydrophobicContact CB-CH2 3.77Å; A227-W254 HydrophobicContact CB-CZ3 3.85Å
228	H	88	Confident	94.5	Very high	42 Å²	42	41 Å²	41	19%	0.194	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-79.6	-15.1	169.7	-61.5	160.1	0	0	0	113.3	L200 N225 L226	L200-H228 PolarHBondContact O-CE1 2.82Å; L200-H228 PolarHBondContact O-ND1 3.38Å; N225-H228 PolarHBondContact O-N 2.95Å; L226-H228 PolarHBondContact O-N 3.26Å
229	F	90.1	Very high	94.5	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.009	19%	0.192	C	C	.	.			trans	-115.8	23.5	-170.9	-54.1	-64.3	0	0	0	116	L200 F205 L214 L216 L226 A227 R231 L232 M240 W256	L200-F229 HydrophobicContact CD1-CE1 4.05Å; L200-F229 HydrophobicContact CD1-CZ 3.57Å; F205-F229 AromaticContact CD2-CD1 3.76Å; F205-F229 HydrophobicContact CD2-CD1 3.76Å; F205-F229 AromaticContact CD2-CE1 3.66Å; F205-F229 HydrophobicContact CD2-CE1 3.66Å; F205-F229 HydrophobicContact CE2-CD1 4.07Å; F205-F229 AromaticContact CE2-CE1 3.46Å; F205-F229 HydrophobicContact CE2-CE1 3.46Å; F205-F229 VanDerWaalsContact CE2-CE1 3.46Å; F205-F229 HydrophobicContact CE2-CZ 4.46Å; F205-F229 HydrophobicContact CZ-CE1 4.28Å; L214-F229 HydrophobicContact CD2-CD1 4.23Å; L214-F229 HydrophobicContact CD2-CE1 3.87Å; L216-F229 HydrophobicContact CD1-CE1 4.04Å; L216-F229 HydrophobicContact CD1-CZ 3.85Å; L226-F229 PolarHBondContact O-N 3.19Å; A227-F229 VanDerWaalsContact C-N 3.31Å; F229-R231 PolarHBondContact O-N 2.79Å; F229-L232 HydrophobicContact CB-CD1 4Å; F229-L232 HydrophobicContact CB-CG 4.34Å; F229-L232 HydrophobicContact CD1-CD1 3.66Å; F229-L232 HydrophobicContact CG-CD1 4.2Å; F229-L232 PolarHBondContact O-N 3.28Å; F229-L232 VanDerWaalsContact O-N 3.11Å; F229-M240 HydrophobicContact CE2-CE 4.32Å; F229-M240 HydrophobicContact CE2-SD 4.34Å; F229-M240 HydrophobicContact CZ-CE 4.11Å; F229-M240 HydrophobicContact CZ-SD 4.47Å; F229-W256 HydrophobicContact CB-CH2 3.87Å; F229-W256 HydrophobicContact CB-CZ2 3.39Å; F229-W256 HydrophobicContact CD2-CH2 4.21Å; F229-W256 HydrophobicContact CG-CH2 4.49Å; F229-W256 HydrophobicContact CG-CZ2 4.42Å
230	P	85.1	Confident	94.4	Very high	36 Å²	36	40.1 Å²	40.1	23%	0.234	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-16.3	-170.6	30.1	-37.4	0	0	0	113.5	A227 W254	A227-P230 VanDerWaalsContact O-CD 3.26Å; A227-P230 WeakPolarHBondContact O-CD 3.17Å; P230-W254 HydrophobicContact CB-CD2 4.08Å; P230-W254 HydrophobicContact CB-CE3 4.36Å; P230-W254 HydrophobicContact CB-CG 4.34Å
231	R	88.4	Confident	94.5	Very high	169 Å²	169	38.4 Å²	38.4	64%	0.638	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-7.1	-179.7	-60.7	-59.4	-172	175.4	-0.5	113.5	F229 I233	F229-R231 PolarHBondContact O-N 2.79Å; R231-I233 PolarHBondContact O-N 3.47Å
232	L	94.8	Very high	94.5	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	20%	0.199	C	C	.	.			trans	-81.6	58.1	177.9	-57.4	-173.2	0	0	0	110.6	F205 L208 L211 L214 F229 S234 L235	F205-L232 HydrophobicContact CB-CD1 4.46Å; F205-L232 HydrophobicContact CB-CD2 4.04Å; F205-L232 HydrophobicContact CB-CG 4.47Å; L208-L232 HydrophobicContact CB-CD2 3.62Å; L208-L232 WeakPolarHBondContact O-CD2 3.46Å; L211-L232 HydrophobicContact CB-CD2 4.26Å; L211-L232 HydrophobicContact CD2-CD1 4.17Å; L211-L232 HydrophobicContact CD2-CD2 3.87Å; L214-L232 HydrophobicContact CD2-CD1 3.84Å; F229-L232 HydrophobicContact CB-CD1 4Å; F229-L232 HydrophobicContact CB-CG 4.34Å; F229-L232 HydrophobicContact CD1-CD1 3.66Å; F229-L232 HydrophobicContact CG-CD1 4.2Å; F229-L232 PolarHBondContact O-N 3.28Å; F229-L232 VanDerWaalsContact O-N 3.11Å; L232-S234 PolarHBondContact O-N 3.48Å; L232-L235 HydrophobicContact CB-CB 4.05Å; L232-L235 HydrophobicContact CB-CD2 4.3Å; L232-L235 HydrophobicContact CD1-CD1 4.44Å; L232-L235 HydrophobicContact CD1-CD2 4.08Å; L232-L235 VanDerWaalsContact O-CB 3.32Å; L232-L235 WeakPolarHBondContact O-CB 3.25Å; L232-L235 PolarHBondContact O-N 2.78Å
233	I	93.9	Very high	94.6	Very high	97 Å²	97	37.7 Å²	37.7	50%	0.497	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-20.4	-170.2	59.9	171.8	0	0	0	113.9	F209 R231 F258	F209-I233 HydrophobicContact CB-CD1 4.4Å; F209-I233 HydrophobicContact CB-CG1 4.34Å; R231-I233 PolarHBondContact O-N 3.47Å; I233-F258 WeakPolarHBondContact O-CD2 3.44Å
234	S	96.9	Very high	94.7	Very high	36 Å²	36	37.1 Å²	37.1	25%	0.252	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	7.3	179.6	-54.2	0	0	0	0	113.2	F209 L211 L232 R236	F209-S234 WeakPolarHBondContact O-CB 3.41Å; F209-S234 PolarHBondContact O-OG 3.21Å; L211-S234 CarbonylContact O-C 3.57Å; L232-S234 PolarHBondContact O-N 3.48Å; S234-R236 PolarHBondContact O-N 3.26Å
235	L	97.9	Very high	94.8	Very high	1 Å²	1	37 Å²	37	1%	0.005	17%	0.174	C	C	.	.			trans	-64.8	133.1	-174.5	-162.3	69.2	0	0	0	110.3	L211 L214 L232 L238 F258 L259	L211-L235 HydrophobicContact CD2-CD1 4.12Å; L211-L235 HydrophobicContact CG-CD1 4.25Å; L211-L235 VanDerWaalsContact O-CA 3.26Å; L211-L235 WeakPolarHBondContact O-CA 3.45Å; L211-L235 PolarHBondContact O-N 2.96Å; L211-L235 VanDerWaalsContact O-N 3.13Å; L214-L235 HydrophobicContact CB-CD1 3.94Å; L232-L235 HydrophobicContact CB-CB 4.05Å; L232-L235 HydrophobicContact CB-CD2 4.3Å; L232-L235 HydrophobicContact CD1-CD1 4.44Å; L232-L235 HydrophobicContact CD1-CD2 4.08Å; L232-L235 VanDerWaalsContact O-CB 3.32Å; L232-L235 WeakPolarHBondContact O-CB 3.25Å; L232-L235 PolarHBondContact O-N 2.78Å; L235-L238 HydrophobicContact CD2-CB 4.2Å; L235-F258 CarbonylContact O-C 3.55Å; L235-L259 HydrophobicContact CB-CD1 4.27Å; L235-L259 HydrophobicContact CD2-CD1 3.99Å; L235-L259 HydrophobicContact CG-CD1 3.91Å; L235-L259 WeakPolarHBondContact O-CA 3.35Å; L235-L259 PolarHBondContact O-N 2.8Å; L235-L259 VanDerWaalsContact O-N 3.11Å
236	R	98.3	Very high	95	Very high	100 Å²	100	38 Å²	38	38%	0.377	18%	0.182	S	C	.	.			trans	-114.5	-32.9	178.8	-63.2	-170.4	176.5	-83.3	-6.3	112.5	T212 S234 F258 E260 K261	T212-R236 WeakPolarHBondContact O-CA 3.35Å; T212-R236 WeakPolarHBondContact O-CB 3.16Å; T212-R236 PolarHBondContact O-N 3.16Å; S234-R236 PolarHBondContact O-N 3.26Å; R236-F258 WeakPolarHBondContact CA-O 3.05Å; R236-F258 HydrophobicContact CG-CB 4.44Å; R236-E260 IonicContact CZ-OE1 3.16Å; R236-E260 IonicContact NH1-OE1 3.51Å; R236-E260 PolarHBondContact NH1-OE1 2.98Å; R236-E260 PolarHBondContact O-N 3.16Å; R236-K261 PolarHBondContact O-N 2.86Å
237	T	98.6	Very high	95.3	Very high	25 Å²	25	40.1 Å²	40.1	15%	0.153	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	130.6	-176.3	-54.3	0	0	0	0	111	T212 L214 Y239 K261	T212-T237 PolarHBondContact O-N 3.06Å; L214-T237 PolarHBondContact N-O 3.32Å; L214-T237 VanDerWaalsContact N-O 3.08Å; T237-Y239 HydrophobicContact CG2-CD2 3.88Å; T237-Y239 HydrophobicContact CG2-CE1 4.32Å; T237-Y239 HydrophobicContact CG2-CE2 3.26Å; T237-K261 WeakPolarHBondContact CA-O 3.4Å; T237-K261 HydrophobicContact CG2-CB 4.06Å; T237-K261 HydrophobicContact CG2-CD 3.97Å; T237-K261 HydrophobicContact CG2-CG 4.08Å
238	L	98.4	Very high	95.8	Very high	1 Å²	1	40 Å²	40	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	117	178.1	177.8	59.1	0	0	0	109.7	L214 L216 L235 M240 L259 K261 I262 D263	L214-L238 HydrophobicContact CB-CD1 4.15Å; L214-L238 HydrophobicContact CD2-CD1 3.94Å; L214-L238 HydrophobicContact CG-CD1 4.08Å; L216-L238 HydrophobicContact CD1-CD1 4.47Å; L235-L238 HydrophobicContact CD2-CB 4.2Å; L238-M240 HydrophobicContact CD1-CG 3.9Å; L238-M240 HydrophobicContact CD1-SD 4.16Å; L238-M240 HydrophobicContact CD2-CG 4.39Å; L238-M240 HydrophobicContact CD2-SD 3.92Å; L238-M240 HydrophobicContact CG-CG 3.91Å; L238-M240 HydrophobicContact CG-SD 4.11Å; L238-L259 HydrophobicContact CB-CD1 4.37Å; L238-K261 PolarHBondContact N-O 2.74Å; L238-I262 WeakPolarHBondContact O-CA 3.42Å; L238-D263 PolarHBondContact O-N 3.14Å
239	Y	98.8	Very high	96.1	Very high	41 Å²	41	38.6 Å²	38.6	16%	0.161	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	120.3	173.8	-63.1	-81.1	0	0	0	110.1	E213 L214 H215 L216 E217 T237 K261 D263	E213-Y239 HydrophobicContact CG-CE2 4.39Å; L214-Y239 PolarHBondContact O-N 3.4Å; H215-Y239 AromaticContact CE1-CD2 3.29Å; H215-Y239 WeakPolarHBondContact CE1-CD2 3.45Å; H215-Y239 AromaticContact CE1-CE2 3.42Å; H215-Y239 VanDerWaalsContact CE1-CE2 3.42Å; H215-Y239 WeakPolarHBondContact CE1-CE2 3.13Å; H215-Y239 AromaticContact CG-CD2 3.96Å; H215-Y239 AromaticContact ND1-CD2 3.43Å; H215-Y239 WeakPolarHBondContact ND1-CD2 3.48Å; H215-Y239 AromaticContact ND1-CG 3.95Å; H215-Y239 AromaticContact NE2-CD2 3.77Å; H215-Y239 AromaticContact NE2-CE2 3.8Å; L216-Y239 CarbonylContact C-O 3.12Å; L216-Y239 WeakPolarHBondContact CA-O 3.38Å; L216-Y239 WeakPolarHBondContact CB-O 3.21Å; L216-Y239 PolarHBondContact N-O 3.5Å; E217-Y239 PolarHBondContact N-O 3.34Å; E217-Y239 WeakPolarHBondContact OE2-CB 3.46Å; T237-Y239 HydrophobicContact CG2-CD2 3.88Å; T237-Y239 HydrophobicContact CG2-CE1 4.32Å; T237-Y239 HydrophobicContact CG2-CE2 3.26Å; Y239-K261 VanDerWaalsContact CE1-NZ 3.3Å; Y239-K261 PolarHBondContact OH-NZ 2.98Å; Y239-K261 VanDerWaalsContact OH-NZ 3.09Å; Y239-D263 HydrophobicContact CD1-CB 3.78Å; Y239-D263 HydrophobicContact CE1-CB 4.37Å
240	M	98.2	Very high	96.2	Very high	3 Å²	3	39.5 Å²	39.5	2%	0.015	19%	0.191	C	C	.	.			trans	-134.8	17.8	176.1	-59.8	-170.7	86.7	0	0	111.7	L200 L216 L221 V224 F229 L238 N243 D263 L264 N267	L200-M240 HydrophobicContact CD1-CE 4.37Å; L216-M240 HydrophobicContact CB-CG 4.29Å; L216-M240 HydrophobicContact CD1-CE 3.98Å; L221-M240 HydrophobicContact CD1-CE 3.69Å; V224-M240 HydrophobicContact CG1-CE 4.41Å; V224-M240 HydrophobicContact CG1-SD 3.96Å; V224-M240 HydrophobicContact CG2-CE 4.12Å; V224-M240 HydrophobicContact CG2-SD 4.22Å; F229-M240 HydrophobicContact CE2-CE 4.32Å; F229-M240 HydrophobicContact CE2-SD 4.34Å; F229-M240 HydrophobicContact CZ-CE 4.11Å; F229-M240 HydrophobicContact CZ-SD 4.47Å; L238-M240 HydrophobicContact CD1-CG 3.9Å; L238-M240 HydrophobicContact CD1-SD 4.16Å; L238-M240 HydrophobicContact CD2-CG 4.39Å; L238-M240 HydrophobicContact CD2-SD 3.92Å; L238-M240 HydrophobicContact CG-CG 3.91Å; L238-M240 HydrophobicContact CG-SD 4.11Å; M240-N243 PolarHBondContact O-ND2 3.4Å; M240-D263 CarbonylContact C-O 3.55Å; M240-D263 WeakPolarHBondContact CA-O 3.31Å; M240-D263 PolarHBondContact N-O 2.7Å; M240-L264 HydrophobicContact CB-CD2 4.01Å; M240-N267 PolarHBondContact O-ND2 2.95Å
241	H	98.4	Very high	96.1	Very high	31 Å²	31	42 Å²	42	14%	0.144	21%	0.205	C	C	.	.			trans	-66	160.7	179.1	69.2	87.8	0	0	0	112.6	E217 H218 N243 D263 S265	E217-H241 CarbonylContact C-O 3.44Å; E217-H241 WeakPolarHBondContact CA-O 3.48Å; E217-H241 VanDerWaalsContact CB-CE1 3.44Å; E217-H241 WeakPolarHBondContact CB-CE1 3.5Å; E217-H241 VanDerWaalsContact CB-NE2 3.28Å; E217-H241 WeakPolarHBondContact CB-NE2 3.35Å; E217-H241 WeakPolarHBondContact CB-O 3.37Å; E217-H241 WeakPolarHBondContact CG-NE2 3.35Å; H218-H241 AromaticContact CD2-CE1 3.75Å; H218-H241 PolarHBondContact N-O 3.16Å; H218-H241 AromaticContact NE2-CE1 3.71Å; H218-H241 AromaticContact NE2-ND1 3.96Å; H241-N243 PolarHBondContact O-N 3.45Å; H241-N243 PolarHBondContact O-ND2 2.97Å; H241-D263 IonicContact CD2-OD2 3.77Å; H241-D263 PolarHBondContact CD2-OD2 2.91Å; H241-D263 IonicContact CG-OD2 2.82Å; H241-D263 PolarHBondContact N-O 3.46Å; H241-S265 CarbonylContact C-O 3.14Å; H241-S265 WeakPolarHBondContact CA-O 3.28Å; H241-S265 WeakPolarHBondContact CB-O 3.39Å; H241-S265 WeakPolarHBondContact CB-OG 3.33Å
242	N	98.5	Very high	95.7	Very high	65 Å²	65	37.2 Å²	37.2	35%	0.348	19%	0.192	S	C	.	.	S	Bend	trans	54.1	49.9	-179.4	-67.1	101	0	0	0	112.8	H218 N219 S265 A266	H218-N242 WeakPolarHBondContact CA-O 3.24Å; H218-N242 VanDerWaalsContact CE1-CB 3.48Å; H218-N242 WeakPolarHBondContact CE1-CB 3.47Å; H218-N242 PolarHBondContact CE1-OD1 2.85Å; H218-N242 PolarHBondContact N-O 2.96Å; H218-N242 WeakPolarHBondContact ND1-CB 3.3Å; H218-N242 PolarHBondContact NE2-OD1 3.19Å; N219-N242 PolarHBondContact N-O 3.12Å; N242-S265 PolarHBondContact N-O 3.07Å; N242-A266 WeakPolarHBondContact CA-O 2.97Å; N242-A266 PolarHBondContact N-O 3.46Å; N242-A266 WeakPolarHBondContact ND2-CB 3.37Å
243	N	98.6	Very high	95.2	Very high	7 Å²	7	46.8 Å²	46.8	4%	0.037	24%	0.236	C	C	.	.	S	Bend	trans	-117	-172.5	168	-84.5	-87.9	0	0	0	109.1	L216 N219 E220 L221 M240 H241 N267	L216-N243 PolarHBondContact O-ND2 3.14Å; N219-N243 VanDerWaalsContact CA-OD1 3.31Å; N219-N243 WeakPolarHBondContact CA-OD1 3.15Å; N219-N243 WeakPolarHBondContact CB-OD1 3.49Å; N219-N243 PolarHBondContact N-OD1 3.02Å; N219-N243 PolarHBondContact O-OD1 3.03Å; E220-N243 PolarHBondContact N-OD1 3.23Å; L221-N243 HydrophobicContact CB-CB 4.17Å; L221-N243 VanDerWaalsContact CB-OD1 3.26Å; L221-N243 WeakPolarHBondContact CB-OD1 3.14Å; L221-N243 VanDerWaalsContact CG-OD1 3.3Å; L221-N243 WeakPolarHBondContact CG-OD1 3.01Å; L221-N243 PolarHBondContact N-OD1 3.03Å; M240-N243 PolarHBondContact O-ND2 3.4Å; H241-N243 PolarHBondContact O-N 3.45Å; H241-N243 PolarHBondContact O-ND2 2.97Å; N243-N267 VanDerWaalsContact CA-OD1 3.28Å; N243-N267 WeakPolarHBondContact CA-OD1 3.44Å; N243-N267 WeakPolarHBondContact CB-OD1 3.19Å; N243-N267 PolarHBondContact N-OD1 3.07Å; N243-N267 PolarHBondContact O-OD1 3.01Å
244	H	97.9	Very high	94.9	Very high	90 Å²	90	44.1 Å²	44.1	42%	0.417	22%	0.22	S	C	.	.			trans	-107.6	30.2	177.2	-66	-64.7	0	0	0	111.8	L221 V222 T246 E268	L221-H244 CarbonylContact O-C 3.51Å; L221-H244 WeakPolarHBondContact O-CA 3.28Å; L221-H244 PolarHBondContact O-N 3.03Å; V222-H244 WeakPolarHBondContact CA-O 3.27Å; H244-T246 PolarHBondContact O-N 3.42Å; H244-E268 IonicContact CE1-OE1 3.84Å; H244-E268 IonicContact CG-OE1 3.62Å; H244-E268 IonicContact ND1-OE1 3.53Å; H244-E268 PolarHBondContact ND1-OE1 2.85Å
245	A	98.1	Very high	94.6	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.228	C	C	.	.			trans	-71.7	123.2	-171.4	0	0	0	0	0	110.7	L221 V222 V224 N267 E268 I269	L221-A245 WeakPolarHBondContact O-CA 3.12Å; L221-A245 PolarHBondContact O-N 2.98Å; V222-A245 WeakPolarHBondContact O-CA 3.26Å; V224-A245 HydrophobicContact CG2-CB 3.74Å; A245-N267 HydrophobicContact CB-CB 4.34Å; A245-N267 VanDerWaalsContact CB-OD1 3.27Å; A245-N267 WeakPolarHBondContact CB-OD1 3.02Å; A245-N267 PolarHBondContact N-OD1 3.02Å; A245-N267 VanDerWaalsContact N-OD1 3.08Å; A245-E268 CarbonylContact O-C 3.56Å; A245-E268 WeakPolarHBondContact O-CA 3.41Å; A245-E268 PolarHBondContact O-N 3.32Å; A245-I269 HydrophobicContact CB-CG1 4.34Å; A245-I269 WeakPolarHBondContact O-CA 3.25Å; A245-I269 VanDerWaalsContact O-CG1 3.26Å; A245-I269 WeakPolarHBondContact O-CG1 3.39Å; A245-I269 PolarHBondContact O-N 2.88Å
246	T	97.8	Very high	94.4	Very high	44 Å²	44	45.6 Å²	45.6	27%	0.27	23%	0.228	S	C	.	.			trans	-95.8	-25.3	177.9	60	0	0	0	0	113.3	V222 H244 E268 I269 E270 Y271	V222-T246 PolarHBondContact O-N 3.37Å; H244-T246 PolarHBondContact O-N 3.42Å; T246-E268 WeakPolarHBondContact CA-O 3.44Å; T246-E268 HydrophobicContact CG2-CB 4.35Å; T246-I269 WeakPolarHBondContact O-CA 3.39Å; T246-E270 PolarHBondContact O-N 3.48Å; T246-Y271 PolarHBondContact O-N 3.25Å
247	I	97.3	Very high	94.1	Very high	49 Å²	49	46.1 Å²	46.1	25%	0.251	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	145.7	-178	61.5	174.2	0	0	0	112.2	K223 V224 V249 Y271	K223-I247 HydrophobicContact CB-CG1 4.47Å; K223-I247 HydrophobicContact CD-CD1 3.89Å; K223-I247 HydrophobicContact CD-CG1 4.14Å; K223-I247 HydrophobicContact CG-CD1 4.25Å; K223-I247 HydrophobicContact CG-CG1 3.93Å; V224-I247 PolarHBondContact N-O 3.23Å; I247-V249 HydrophobicContact CD1-CG1 4.2Å; I247-V249 HydrophobicContact CG1-CG1 4.49Å; I247-Y271 VanDerWaalsContact CA-O 3.3Å; I247-Y271 WeakPolarHBondContact CA-O 3.05Å; I247-Y271 HydrophobicContact CG2-CD1 4.43Å
248	V	97.1	Very high	94	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.006	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.6	171	-169.9	0	0	0	0	109	V224 L264 I269 Y271 I272 E273 V276	V224-V248 HydrophobicContact CB-CG1 4.22Å; V224-V248 HydrophobicContact CB-CG2 4.26Å; V224-V248 HydrophobicContact CG1-CG1 4.01Å; V224-V248 WeakPolarHBondContact O-CA 3.26Å; V248-L264 HydrophobicContact CG2-CD1 4.36Å; V248-I269 HydrophobicContact CG2-CD1 3.72Å; V248-I269 HydrophobicContact CG2-CG1 4.18Å; V248-I269 HydrophobicContact CG2-CG2 4.02Å; V248-Y271 PolarHBondContact N-O 2.99Å; V248-I272 HydrophobicContact CB-CG1 4.22Å; V248-I272 HydrophobicContact CB-CG2 4.37Å; V248-I272 HydrophobicContact CG2-CG1 4.2Å; V248-E273 PolarHBondContact O-N 2.86Å; V248-V276 HydrophobicContact CG1-CG1 3.73Å; V248-V276 HydrophobicContact CG1-CG2 4.46Å
249	V	95.2	Very high	94	Very high	13 Å²	13	49.6 Å²	49.6	8%	0.079	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	157.8	-177	-57.3	0	0	0	0	112.1	V224 N225 L226 I247 E273	V224-V249 PolarHBondContact O-N 2.93Å; N225-V249 WeakPolarHBondContact CA-O 3.31Å; N225-V249 HydrophobicContact CB-CG2 3.96Å; L226-V249 PolarHBondContact N-O 3.06Å; I247-V249 HydrophobicContact CD1-CG1 4.2Å; I247-V249 HydrophobicContact CG1-CG1 4.49Å; V249-E273 WeakPolarHBondContact CA-OE2 3.31Å; V249-E273 WeakPolarHBondContact CB-OE2 3.16Å; V249-E273 HydrophobicContact CG1-CB 4.41Å
250	N	91.4	Very high	93.9	Very high	21 Å²	21	50.3 Å²	50.3	11%	0.112	25%	0.252	C	S	.	.			trans	-139.4	108	171	-178.4	8.9	0	0	0	110.6	L226 L252 W254 E273 V276	L226-N250 HydrophobicContact CB-CB 4.41Å; N250-L252 PolarHBondContact ND2-O 2.97Å; N250-L252 PolarHBondContact OD1-N 3.19Å; N250-L252 PolarHBondContact OD1-O 2.99Å; N250-W254 WeakPolarHBondContact OD1-CH2 3.5Å; N250-W254 WeakPolarHBondContact OD1-CZ3 3.3Å; N250-E273 PolarHBondContact N-OE2 2.76Å; N250-V276 HydrophobicContact CB-CB 4.47Å; N250-V276 HydrophobicContact CB-CG2 4.02Å
251	T	83.3	Confident	94	Very high	88 Å²	88	52.4 Å²	52.4	54%	0.54	26%	0.261	S	S	.	.			trans	-96.8	1.6	-174.9	65.3	0	0	0	0	115.1	A227	A227-T251 WeakPolarHBondContact CB-OG1 3.39Å
252	L	81.4	Confident	94	Very high	68 Å²	68	51.1 Å²	51.1	36%	0.356	26%	0.255	S	S	.	.	S	Bend	trans	-135.8	157.9	177.5	-44.9	160.6	0	0	0	110.6	A227 N250 W254	A227-L252 HydrophobicContact CB-CD1 3.92Å; A227-L252 HydrophobicContact CB-CG 4.07Å; N250-L252 PolarHBondContact ND2-O 2.97Å; N250-L252 PolarHBondContact OD1-N 3.19Å; N250-L252 PolarHBondContact OD1-O 2.99Å; L252-W254 HydrophobicContact CB-CE3 3.66Å; L252-W254 HydrophobicContact CB-CZ3 3.48Å; L252-W254 VanDerWaalsContact CB-CZ3 3.48Å; L252-W254 HydrophobicContact CD1-CZ3 4.4Å; L252-W254 HydrophobicContact CG-CZ3 4.28Å; L252-W254 WeakPolarHBondContact O-CZ3 3.43Å
253	E	83.3	Confident	94	Very high	201 Å²	201	48.5 Å²	48.5	94%	0.939	24%	0.241	S	C	*	.			trans	-92.5	111.4	178.6	-65.9	176.8	-175.4	0	0	110.2
254	W	87.5	Confident	94	Very high	41 Å²	41	48.3 Å²	48.3	16%	0.155	24%	0.24	C	C	.	.			trans	-154.7	171.2	165.8	73.2	89.7	0	0	0	109.5	L226 A227 P230 N250 L252 W256 S279	L226-W254 HydrophobicContact CB-CH2 3.95Å; L226-W254 HydrophobicContact CB-CZ2 3.74Å; L226-W254 VanDerWaalsContact O-CH2 3.3Å; L226-W254 WeakPolarHBondContact O-CH2 3.41Å; L226-W254 WeakPolarHBondContact O-CZ2 3.45Å; A227-W254 HydrophobicContact CB-CH2 3.77Å; A227-W254 HydrophobicContact CB-CZ3 3.85Å; P230-W254 HydrophobicContact CB-CD2 4.08Å; P230-W254 HydrophobicContact CB-CE3 4.36Å; P230-W254 HydrophobicContact CB-CG 4.34Å; N250-W254 WeakPolarHBondContact OD1-CH2 3.5Å; N250-W254 WeakPolarHBondContact OD1-CZ3 3.3Å; L252-W254 HydrophobicContact CB-CE3 3.66Å; L252-W254 HydrophobicContact CB-CZ3 3.48Å; L252-W254 VanDerWaalsContact CB-CZ3 3.48Å; L252-W254 HydrophobicContact CD1-CZ3 4.4Å; L252-W254 HydrophobicContact CG-CZ3 4.28Å; L252-W254 WeakPolarHBondContact O-CZ3 3.43Å; W254-W256 HydrophobicContact CZ2-CH2 4.26Å; W254-W256 HydrophobicContact CZ2-CZ2 4.15Å; W254-W256 AromaticContact NE1-CD2 3.86Å; W254-W256 AromaticContact NE1-CE2 3.4Å; W254-W256 AromaticContact NE1-CZ2 3.59Å; W254-W256 AromaticContact NE1-NE1 3.56Å; W254-S279 WeakPolarHBondContact O-CB 3.25Å
255	T	90.9	Very high	94	Very high	67 Å²	67	44.5 Å²	44.5	41%	0.411	22%	0.224	S	C	.	.			trans	-130.7	132.6	-178.1	51.3	0	0	0	0	112.4	H257 S279	T255-H257 PolarHBondContact O-ND1 2.76Å; T255-H257 PolarHBondContact OG1-CE1 3.32Å; T255-H257 PolarHBondContact OG1-NE2 3.08Å; T255-S279 CarbonylContact C-O 3.26Å; T255-S279 WeakPolarHBondContact CA-O 3.48Å
256	W	93.1	Very high	94	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.008	24%	0.235	C	C	.	.			trans	-93.1	95.2	169.1	-73.8	-40.7	0	0	0	110.8	L226 F229 W254 F258 L259 S279 T280	L226-W256 HydrophobicContact CB-CH2 3.89Å; L226-W256 HydrophobicContact CB-CZ3 4.21Å; L226-W256 HydrophobicContact CD1-CH2 4.44Å; L226-W256 HydrophobicContact CD1-CZ3 3.92Å; L226-W256 HydrophobicContact CD2-CH2 3.99Å; L226-W256 HydrophobicContact CD2-CZ3 3.98Å; L226-W256 HydrophobicContact CG-CH2 4.32Å; L226-W256 HydrophobicContact CG-CZ3 4.26Å; F229-W256 HydrophobicContact CB-CH2 3.87Å; F229-W256 HydrophobicContact CB-CZ2 3.39Å; F229-W256 HydrophobicContact CD2-CH2 4.21Å; F229-W256 HydrophobicContact CG-CH2 4.49Å; F229-W256 HydrophobicContact CG-CZ2 4.42Å; W254-W256 HydrophobicContact CZ2-CH2 4.26Å; W254-W256 HydrophobicContact CZ2-CZ2 4.15Å; W254-W256 AromaticContact NE1-CD2 3.86Å; W254-W256 AromaticContact NE1-CE2 3.4Å; W254-W256 AromaticContact NE1-CZ2 3.59Å; W254-W256 AromaticContact NE1-NE1 3.56Å; W256-F258 VanDerWaalsContact C-N 3.25Å; W256-F258 PolarHBondContact O-N 3.04Å; W256-L259 HydrophobicContact CB-CB 3.66Å; W256-L259 HydrophobicContact CB-CD2 4.4Å; W256-L259 HydrophobicContact CD2-CD2 3.92Å; W256-L259 HydrophobicContact CE3-CD2 3.28Å; W256-L259 HydrophobicContact CG-CB 4.3Å; W256-L259 HydrophobicContact CG-CD2 4.41Å; W256-L259 HydrophobicContact CZ3-CD2 3.8Å; W256-S279 PolarHBondContact N-O 3.03Å; W256-T280 HydrophobicContact CB-CG2 4.49Å; W256-T280 HydrophobicContact CE3-CG2 3.58Å; W256-T280 HydrophobicContact CZ3-CG2 4.29Å
257	H	92.8	Very high	94	Very high	110 Å²	110	44.3 Å²	44.3	51%	0.509	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-22.3	-178.6	-60.7	86.4	0	0	0	113.6	T255 N282	T255-H257 PolarHBondContact O-ND1 2.76Å; T255-H257 PolarHBondContact OG1-CE1 3.32Å; T255-H257 PolarHBondContact OG1-NE2 3.08Å; H257-N282 PolarHBondContact O-ND2 2.81Å
258	F	96.6	Very high	94.1	Very high	99 Å²	99	44.9 Å²	44.9	43%	0.434	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	-0	-174.2	-58.3	-72.3	0	0	0	114	I233 L235 R236 W256 E260	I233-F258 WeakPolarHBondContact O-CD2 3.44Å; L235-F258 CarbonylContact O-C 3.55Å; R236-F258 WeakPolarHBondContact CA-O 3.05Å; R236-F258 HydrophobicContact CG-CB 4.44Å; W256-F258 VanDerWaalsContact C-N 3.25Å; W256-F258 PolarHBondContact O-N 3.04Å; F258-E260 PolarHBondContact O-N 3.03Å
259	L	97.4	Very high	94.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.			trans	-75.5	117.5	-177.6	-171.1	68.7	0	0	0	109.6	L235 L238 W256 I262 T280 N282 L283	L235-L259 HydrophobicContact CB-CD1 4.27Å; L235-L259 HydrophobicContact CD2-CD1 3.99Å; L235-L259 HydrophobicContact CG-CD1 3.91Å; L235-L259 WeakPolarHBondContact O-CA 3.35Å; L235-L259 PolarHBondContact O-N 2.8Å; L235-L259 VanDerWaalsContact O-N 3.11Å; L238-L259 HydrophobicContact CB-CD1 4.37Å; W256-L259 HydrophobicContact CB-CB 3.66Å; W256-L259 HydrophobicContact CB-CD2 4.4Å; W256-L259 HydrophobicContact CD2-CD2 3.92Å; W256-L259 HydrophobicContact CE3-CD2 3.28Å; W256-L259 HydrophobicContact CG-CB 4.3Å; W256-L259 HydrophobicContact CG-CD2 4.41Å; W256-L259 HydrophobicContact CZ3-CD2 3.8Å; L259-I262 HydrophobicContact CD2-CD1 3.63Å; L259-I262 HydrophobicContact CD2-CG1 3.7Å; L259-I262 HydrophobicContact CG-CG1 4.2Å; L259-T280 HydrophobicContact CD2-CG2 3.81Å; L259-N282 CarbonylContact O-C 3.5Å; L259-L283 PolarHBondContact O-N 3.24Å
260	E	98	Very high	94.3	Very high	56 Å²	56	50 Å²	50	26%	0.262	25%	0.25	S	C	.	.			trans	-110.4	-27.3	-173.2	-70.4	178.3	-131.8	0	0	112.1	R236 F258 K284 V285	R236-E260 IonicContact CZ-OE1 3.16Å; R236-E260 IonicContact NH1-OE1 3.51Å; R236-E260 PolarHBondContact NH1-OE1 2.98Å; R236-E260 PolarHBondContact O-N 3.16Å; F258-E260 PolarHBondContact O-N 3.03Å; E260-K284 HydrophobicContact CB-CD 4.41Å; E260-K284 HydrophobicContact CG-CD 4.31Å; E260-K284 WeakPolarHBondContact O-CA 3.21Å; E260-K284 WeakPolarHBondContact O-CB 3.36Å; E260-K284 PolarHBondContact O-N 3.34Å; E260-K284 IonicContact OE2-NZ 3.9Å; E260-K284 PolarHBondContact OE2-NZ 3.44Å; E260-V285 PolarHBondContact O-N 2.94Å
261	K	98.6	Very high	94.5	Very high	48 Å²	48	55 Å²	55	21%	0.209	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	131.3	-176.9	176.5	175.1	176.1	-171.6	0	112.5	R236 T237 L238 Y239 V285	R236-K261 PolarHBondContact O-N 2.86Å; T237-K261 WeakPolarHBondContact CA-O 3.4Å; T237-K261 HydrophobicContact CG2-CB 4.06Å; T237-K261 HydrophobicContact CG2-CD 3.97Å; T237-K261 HydrophobicContact CG2-CG 4.08Å; L238-K261 PolarHBondContact N-O 2.74Å; Y239-K261 VanDerWaalsContact CE1-NZ 3.3Å; Y239-K261 PolarHBondContact OH-NZ 2.98Å; Y239-K261 VanDerWaalsContact OH-NZ 3.09Å; K261-V285 WeakPolarHBondContact CA-O 3.13Å; K261-V285 HydrophobicContact CB-CB 4.1Å; K261-V285 HydrophobicContact CD-CB 4.39Å; K261-V285 HydrophobicContact CD-CG1 4.26Å; K261-V285 HydrophobicContact CG-CB 3.95Å; K261-V285 HydrophobicContact CG-CG1 4.08Å
262	I	98.4	Very high	95.2	Very high	4 Å²	4	51.1 Å²	51.1	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	128.1	169	-64.5	174.2	0	0	0	108.6	L238 L259 L264 F277 T280 L283 V285 L286 M287	L238-I262 WeakPolarHBondContact O-CA 3.42Å; L259-I262 HydrophobicContact CD2-CD1 3.63Å; L259-I262 HydrophobicContact CD2-CG1 3.7Å; L259-I262 HydrophobicContact CG-CG1 4.2Å; I262-L264 HydrophobicContact CG2-CD1 3.77Å; I262-L264 HydrophobicContact CG2-CD2 4.49Å; I262-L264 HydrophobicContact CG2-CG 3.68Å; I262-F277 HydrophobicContact CD1-CE1 4.36Å; I262-T280 HydrophobicContact CD1-CG2 4.26Å; I262-L283 HydrophobicContact CB-CD1 4.17Å; I262-L283 HydrophobicContact CD1-CD1 3.94Å; I262-L283 HydrophobicContact CD1-CD2 4.23Å; I262-L283 HydrophobicContact CG1-CD1 3.73Å; I262-V285 PolarHBondContact N-O 3.01Å; I262-L286 HydrophobicContact CB-CD1 4.18Å; I262-L286 HydrophobicContact CG2-CD1 4.23Å; I262-L286 WeakPolarHBondContact O-CA 3.4Å; I262-M287 PolarHBondContact O-N 3.41Å
263	D	98.7	Very high	95.9	Very high	9 Å²	9	50.5 Å²	50.5	5%	0.048	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	109.6	173.6	-169.2	-9.3	0	0	0	110.5	L238 Y239 M240 H241 S265 M287	L238-D263 PolarHBondContact O-N 3.14Å; Y239-D263 HydrophobicContact CD1-CB 3.78Å; Y239-D263 HydrophobicContact CE1-CB 4.37Å; M240-D263 CarbonylContact C-O 3.55Å; M240-D263 WeakPolarHBondContact CA-O 3.31Å; M240-D263 PolarHBondContact N-O 2.7Å; H241-D263 IonicContact CD2-OD2 3.77Å; H241-D263 PolarHBondContact CD2-OD2 2.91Å; H241-D263 IonicContact CG-OD2 2.82Å; H241-D263 PolarHBondContact N-O 3.46Å; D263-S265 WeakPolarHBondContact OD1-CB 3.42Å; D263-S265 PolarHBondContact OD1-N 3.11Å; D263-S265 VanDerWaalsContact OD1-N 3.09Å; D263-S265 PolarHBondContact OD1-OG 2.85Å; D263-M287 HydrophobicContact CB-CB 4.41Å; D263-M287 HydrophobicContact CB-SD 4.25Å; D263-M287 WeakPolarHBondContact OD1-CB 3.44Å
264	L	98.5	Very high	96.4	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.021	20%	0.202	C	C	.	.			trans	-116.6	15.8	178.4	-69.3	166	0	0	0	111.2	V224 M240 V248 I262 N267 I269 M287 L288 N291	V224-L264 HydrophobicContact CG1-CD2 4.36Å; V224-L264 HydrophobicContact CG2-CD2 3.97Å; M240-L264 HydrophobicContact CB-CD2 4.01Å; V248-L264 HydrophobicContact CG2-CD1 4.36Å; I262-L264 HydrophobicContact CG2-CD1 3.77Å; I262-L264 HydrophobicContact CG2-CD2 4.49Å; I262-L264 HydrophobicContact CG2-CG 3.68Å; L264-N267 PolarHBondContact O-ND2 3.01Å; L264-N267 VanDerWaalsContact O-ND2 3.14Å; L264-I269 HydrophobicContact CB-CD1 4.01Å; L264-I269 HydrophobicContact CD2-CD1 4.48Å; L264-M287 CarbonylContact C-O 3.4Å; L264-M287 WeakPolarHBondContact CA-O 3.09Å; L264-M287 WeakPolarHBondContact CB-O 3.38Å; L264-M287 PolarHBondContact N-O 3.17Å; L264-L288 HydrophobicContact CB-CD2 3.85Å; L264-L288 HydrophobicContact CD1-CD2 3.97Å; L264-N291 PolarHBondContact O-ND2 3.38Å
265	S	98.4	Very high	96.7	Very high	10 Å²	10	44 Å²	44	7%	0.07	21%	0.212	C	C	.	.			trans	-63	158.4	-177.7	59.8	0	0	0	0	112.5	H241 N242 D263 N267 M287 D289	H241-S265 CarbonylContact C-O 3.14Å; H241-S265 WeakPolarHBondContact CA-O 3.28Å; H241-S265 WeakPolarHBondContact CB-O 3.39Å; H241-S265 WeakPolarHBondContact CB-OG 3.33Å; N242-S265 PolarHBondContact N-O 3.07Å; D263-S265 WeakPolarHBondContact OD1-CB 3.42Å; D263-S265 PolarHBondContact OD1-N 3.11Å; D263-S265 VanDerWaalsContact OD1-N 3.09Å; D263-S265 PolarHBondContact OD1-OG 2.85Å; S265-N267 VanDerWaalsContact C-N 3.29Å; S265-N267 PolarHBondContact O-N 3.06Å; S265-N267 PolarHBondContact O-ND2 3.2Å; S265-M287 PolarHBondContact N-O 3.12Å; S265-D289 CarbonylContact C-O 3.38Å; S265-D289 WeakPolarHBondContact CA-O 3.16Å; S265-D289 WeakPolarHBondContact CB-OD1 3.15Å
266	A	98.3	Very high	96.8	Very high	29 Å²	29	40.8 Å²	40.8	24%	0.24	19%	0.193	C	C	.	.	S	Bend	trans	53	44.5	175.4	0	0	0	0	0	113.4	N242 D289 S290	N242-A266 WeakPolarHBondContact CA-O 2.97Å; N242-A266 PolarHBondContact N-O 3.46Å; N242-A266 WeakPolarHBondContact ND2-CB 3.37Å; A266-D289 PolarHBondContact N-O 3.47Å; A266-S290 WeakPolarHBondContact CA-O 3.42Å; A266-S290 PolarHBondContact N-O 3.05Å
267	N	98.6	Very high	96.8	Very high	10 Å²	10	40.9 Å²	40.9	5%	0.053	19%	0.193	C	C	.	.	S	Bend	trans	-110.9	-165.7	170.4	-86.5	-87.2	0	0	0	109.4	M240 N243 A245 L264 S265 I269 S290 N291	M240-N267 PolarHBondContact O-ND2 2.95Å; N243-N267 VanDerWaalsContact CA-OD1 3.28Å; N243-N267 WeakPolarHBondContact CA-OD1 3.44Å; N243-N267 WeakPolarHBondContact CB-OD1 3.19Å; N243-N267 PolarHBondContact N-OD1 3.07Å; N243-N267 PolarHBondContact O-OD1 3.01Å; A245-N267 HydrophobicContact CB-CB 4.34Å; A245-N267 VanDerWaalsContact CB-OD1 3.27Å; A245-N267 WeakPolarHBondContact CB-OD1 3.02Å; A245-N267 PolarHBondContact N-OD1 3.02Å; A245-N267 VanDerWaalsContact N-OD1 3.08Å; L264-N267 PolarHBondContact O-ND2 3.01Å; L264-N267 VanDerWaalsContact O-ND2 3.14Å; S265-N267 VanDerWaalsContact C-N 3.29Å; S265-N267 PolarHBondContact O-N 3.06Å; S265-N267 PolarHBondContact O-ND2 3.2Å; N267-I269 HydrophobicContact CB-CD1 4.05Å; N267-I269 HydrophobicContact CB-CG1 3.87Å; N267-S290 PolarHBondContact N-O 3.22Å; N267-N291 WeakPolarHBondContact CA-OD1 3.22Å; N267-N291 WeakPolarHBondContact CB-OD1 3.41Å; N267-N291 PolarHBondContact N-OD1 3.01Å; N267-N291 PolarHBondContact O-OD1 3.5Å
268	E	98.3	Very high	96.8	Very high	62 Å²	62	39.9 Å²	39.9	29%	0.29	19%	0.189	S	C	.	.			trans	-117.1	31.9	177.9	-62.8	178.9	-141.5	0	0	110.5	H244 A245 T246 E270	H244-E268 IonicContact CE1-OE1 3.84Å; H244-E268 IonicContact CG-OE1 3.62Å; H244-E268 IonicContact ND1-OE1 3.53Å; H244-E268 PolarHBondContact ND1-OE1 2.85Å; A245-E268 CarbonylContact O-C 3.56Å; A245-E268 WeakPolarHBondContact O-CA 3.41Å; A245-E268 PolarHBondContact O-N 3.32Å; T246-E268 WeakPolarHBondContact CA-O 3.44Å; T246-E268 HydrophobicContact CG2-CB 4.35Å; E268-E270 PolarHBondContact O-N 2.89Å
269	I	98.6	Very high	96.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	17%	0.17	C	C	.	.			trans	-69.6	118.1	-168.3	-59.6	165.1	0	0	0	109.6	A245 T246 V248 L264 N267 I272 L288 N291 R292 L293	A245-I269 HydrophobicContact CB-CG1 4.34Å; A245-I269 WeakPolarHBondContact O-CA 3.25Å; A245-I269 VanDerWaalsContact O-CG1 3.26Å; A245-I269 WeakPolarHBondContact O-CG1 3.39Å; A245-I269 PolarHBondContact O-N 2.88Å; T246-I269 WeakPolarHBondContact O-CA 3.39Å; V248-I269 HydrophobicContact CG2-CD1 3.72Å; V248-I269 HydrophobicContact CG2-CG1 4.18Å; V248-I269 HydrophobicContact CG2-CG2 4.02Å; L264-I269 HydrophobicContact CB-CD1 4.01Å; L264-I269 HydrophobicContact CD2-CD1 4.48Å; N267-I269 HydrophobicContact CB-CD1 4.05Å; N267-I269 HydrophobicContact CB-CG1 3.87Å; I269-I272 HydrophobicContact CG2-CD1 4.44Å; I269-I272 HydrophobicContact CG2-CG1 3.86Å; I269-L288 HydrophobicContact CD1-CD2 4.39Å; I269-N291 HydrophobicContact CB-CB 4.32Å; I269-N291 WeakPolarHBondContact CB-OD1 3.45Å; I269-N291 WeakPolarHBondContact CD1-OD1 3.46Å; I269-N291 VanDerWaalsContact CG1-OD1 3.28Å; I269-N291 WeakPolarHBondContact CG1-OD1 3.33Å; I269-N291 PolarHBondContact N-OD1 3.18Å; I269-R292 CarbonylContact O-C 3.6Å; I269-R292 WeakPolarHBondContact O-CA 3.47Å; I269-R292 PolarHBondContact O-N 3.03Å; I269-L293 HydrophobicContact CG2-CD2 3.91Å; I269-L293 PolarHBondContact O-N 2.82Å; I269-L293 VanDerWaalsContact O-N 3.15Å
270	E	97.6	Very high	96.4	Very high	121 Å²	121	35.5 Å²	35.5	57%	0.565	17%	0.171	S	C	*	.			trans	-100.9	-30.8	175.9	-67	174.1	-167.3	0	0	111.4	T246 E268 R292	T246-E270 PolarHBondContact O-N 3.48Å; E268-E270 PolarHBondContact O-N 2.89Å; E270-R292 HydrophobicContact CG-CB 3.79Å
271	Y	97.2	Very high	96.2	Very high	125 Å²	125	35.3 Å²	35.3	49%	0.49	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	135.2	-173.8	176.6	-99.1	0	0	0	112.9	T246 I247 V248 E273 P274	T246-Y271 PolarHBondContact O-N 3.25Å; I247-Y271 VanDerWaalsContact CA-O 3.3Å; I247-Y271 WeakPolarHBondContact CA-O 3.05Å; I247-Y271 HydrophobicContact CG2-CD1 4.43Å; V248-Y271 PolarHBondContact N-O 2.99Å; Y271-E273 HydrophobicContact CE1-CB 4.12Å; Y271-P274 WeakPolarHBondContact OH-CD 3.3Å
272	I	97.5	Very high	96.1	Very high	7 Å²	7	36.6 Å²	36.6	4%	0.036	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	128.3	172.7	-60.2	174.4	0	0	0	107.5	V248 I269 V276 F277 L288 L293 L296 I300	V248-I272 HydrophobicContact CB-CG1 4.22Å; V248-I272 HydrophobicContact CB-CG2 4.37Å; V248-I272 HydrophobicContact CG2-CG1 4.2Å; I269-I272 HydrophobicContact CG2-CD1 4.44Å; I269-I272 HydrophobicContact CG2-CG1 3.86Å; I272-V276 HydrophobicContact CG2-CB 4.34Å; I272-V276 HydrophobicContact CG2-CG2 4.44Å; I272-F277 HydrophobicContact CD1-CE2 4.44Å; I272-F277 HydrophobicContact CG2-CD2 4.42Å; I272-F277 HydrophobicContact CG2-CE2 3.89Å; I272-L288 HydrophobicContact CD1-CD1 4.25Å; I272-L288 HydrophobicContact CD1-CD2 4.16Å; I272-L293 HydrophobicContact CD1-CD1 4.22Å; I272-L293 HydrophobicContact CD1-CD2 4.05Å; I272-L293 HydrophobicContact CG1-CD2 4.12Å; I272-L296 HydrophobicContact CD1-CD2 4.29Å; I272-I300 HydrophobicContact CB-CD1 3.91Å; I272-I300 HydrophobicContact CG2-CD1 3.84Å
273	E	96.1	Very high	96.1	Very high	56 Å²	56	36.7 Å²	36.7	26%	0.262	18%	0.184	S	C	.	.			trans	-68.8	135	177	173.3	176.2	-138.5	0	0	111.1	V248 V249 N250 Y271 H275 V276	V248-E273 PolarHBondContact O-N 2.86Å; V249-E273 WeakPolarHBondContact CA-OE2 3.31Å; V249-E273 WeakPolarHBondContact CB-OE2 3.16Å; V249-E273 HydrophobicContact CG1-CB 4.41Å; N250-E273 PolarHBondContact N-OE2 2.76Å; Y271-E273 HydrophobicContact CE1-CB 4.12Å; E273-H275 PolarHBondContact O-N 3.13Å; E273-V276 HydrophobicContact CB-CG2 3.7Å; E273-V276 HydrophobicContact CG-CG2 4.36Å; E273-V276 WeakPolarHBondContact O-CB 3.33Å; E273-V276 WeakPolarHBondContact O-CG2 3.47Å; E273-V276 PolarHBondContact O-N 2.75Å; E273-V276 VanDerWaalsContact O-N 3.12Å
274	P	94.1	Very high	96	Very high	26 Å²	26	40 Å²	40	17%	0.169	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-24.8	-168.1	-31.1	35.5	0	0	0	117.1	Y271 D297 R299	Y271-P274 WeakPolarHBondContact OH-CD 3.3Å; P274-D297 HydrophobicContact CG-CB 4.44Å; P274-R299 HydrophobicContact CB-CB 4.17Å; P274-R299 HydrophobicContact CB-CG 4.4Å
275	H	92.1	Very high	96	Very high	78 Å²	78	41.8 Å²	41.8	36%	0.361	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-2.5	-173.2	-53.7	74.7	0	0	0	113.2	E273 F277 E278 R299	E273-H275 PolarHBondContact O-N 3.13Å; H275-F277 VanDerWaalsContact C-N 3.31Å; H275-F277 PolarHBondContact O-N 3.35Å; H275-E278 IonicContact CD2-OE1 3.48Å; H275-E278 IonicContact CD2-OE2 3.93Å; H275-E278 WeakPolarHBondContact O-CB 3.38Å; H275-E278 PolarHBondContact O-N 3.38Å; H275-R299 PolarHBondContact CD2-NH1 2.74Å; H275-R299 PolarHBondContact CD2-NH2 2.97Å; H275-R299 PolarHBondContact CE1-NH1 3.12Å; H275-R299 PolarHBondContact NE2-NH1 2.96Å; H275-R299 PolarHBondContact NE2-NH2 3.29Å; H275-R299 VanDerWaalsContact NE2-NH2 3.1Å
276	V	93.8	Very high	96.1	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-54.9	-47.3	-170.2	164.6	0	0	0	0	112	L226 V248 N250 I272 E273 S279	L226-V276 HydrophobicContact CD1-CG1 3.56Å; L226-V276 HydrophobicContact CG-CG1 4.38Å; V248-V276 HydrophobicContact CG1-CG1 3.73Å; V248-V276 HydrophobicContact CG1-CG2 4.46Å; N250-V276 HydrophobicContact CB-CB 4.47Å; N250-V276 HydrophobicContact CB-CG2 4.02Å; I272-V276 HydrophobicContact CG2-CB 4.34Å; I272-V276 HydrophobicContact CG2-CG2 4.44Å; E273-V276 HydrophobicContact CB-CG2 3.7Å; E273-V276 HydrophobicContact CG-CG2 4.36Å; E273-V276 WeakPolarHBondContact O-CB 3.33Å; E273-V276 WeakPolarHBondContact O-CG2 3.47Å; E273-V276 PolarHBondContact O-N 2.75Å; E273-V276 VanDerWaalsContact O-N 3.12Å; V276-S279 PolarHBondContact O-OG 3.04Å
277	F	94.1	Very high	96.1	Very high	3 Å²	3	42 Å²	42	1%	0.013	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-87.1	-3.1	-174	-65.2	-69	0	0	0	114.1	I262 I272 H275 S279 T280 L283 L286 I300 S303 W304	I262-F277 HydrophobicContact CD1-CE1 4.36Å; I272-F277 HydrophobicContact CD1-CE2 4.44Å; I272-F277 HydrophobicContact CG2-CD2 4.42Å; I272-F277 HydrophobicContact CG2-CE2 3.89Å; H275-F277 VanDerWaalsContact C-N 3.31Å; H275-F277 PolarHBondContact O-N 3.35Å; F277-S279 PolarHBondContact O-N 2.62Å; F277-T280 WeakPolarHBondContact CA-OG1 3.41Å; F277-T280 PolarHBondContact O-N 3.36Å; F277-T280 PolarHBondContact O-OG1 2.76Å; F277-L283 HydrophobicContact CD1-CD2 4.1Å; F277-L283 HydrophobicContact CE1-CD2 4.28Å; F277-L286 HydrophobicContact CE1-CD1 3.95Å; F277-L286 HydrophobicContact CE1-CD2 4.13Å; F277-L286 HydrophobicContact CE2-CD2 4.44Å; F277-L286 HydrophobicContact CZ-CD1 4.03Å; F277-L286 HydrophobicContact CZ-CD2 3.94Å; F277-I300 HydrophobicContact CD2-CG2 3.96Å; F277-I300 HydrophobicContact CE2-CG2 4.22Å; F277-S303 WeakPolarHBondContact CB-OG 3.37Å; F277-W304 HydrophobicContact CD2-CZ2 4.39Å; F277-W304 AromaticContact CD2-NE1 3.29Å; F277-W304 VanDerWaalsContact CD2-NE1 3.29Å; F277-W304 HydrophobicContact CE2-CZ2 4Å; F277-W304 AromaticContact CE2-NE1 3.63Å; F277-W304 AromaticContact CG-NE1 3.55Å
278	E	92.6	Very high	96	Very high	89 Å²	89	41.5 Å²	41.5	42%	0.416	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-62.8	-27.8	168.8	-62.7	-177.6	178.2	0	0	111.2	H275 T280 R299	H275-E278 IonicContact CD2-OE1 3.48Å; H275-E278 IonicContact CD2-OE2 3.93Å; H275-E278 WeakPolarHBondContact O-CB 3.38Å; H275-E278 PolarHBondContact O-N 3.38Å; E278-T280 PolarHBondContact O-N 3.04Å; E278-R299 IonicContact OE1-CZ 3.25Å; E278-R299 IonicContact OE1-NE 2.8Å; E278-R299 PolarHBondContact OE1-NE 2.99Å; E278-R299 IonicContact OE1-NH2 3.36Å; E278-R299 PolarHBondContact OE1-NH2 2.99Å; E278-R299 IonicContact OE2-NH2 3.93Å
279	S	91.1	Very high	96	Very high	5 Å²	5	40.1 Å²	40.1	4%	0.035	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-70.8	-9.5	173.8	69	0	0	0	0	113.8	W254 T255 W256 V276 F277 P281	W254-S279 WeakPolarHBondContact O-CB 3.25Å; T255-S279 CarbonylContact C-O 3.26Å; T255-S279 WeakPolarHBondContact CA-O 3.48Å; W256-S279 PolarHBondContact N-O 3.03Å; V276-S279 PolarHBondContact O-OG 3.04Å; F277-S279 PolarHBondContact O-N 2.62Å; S279-P281 VanDerWaalsContact C-CD 3.46Å; S279-P281 WeakPolarHBondContact O-CD 3.47Å
280	T	94.3	Very high	96	Very high	3 Å²	3	43 Å²	43	2%	0.018	22%	0.216	C	C	.	.			trans	-125.4	63.5	-173.3	53.2	0	0	0	0	112.9	W256 L259 I262 F277 E278 N282 L283	W256-T280 HydrophobicContact CB-CG2 4.49Å; W256-T280 HydrophobicContact CE3-CG2 3.58Å; W256-T280 HydrophobicContact CZ3-CG2 4.29Å; L259-T280 HydrophobicContact CD2-CG2 3.81Å; I262-T280 HydrophobicContact CD1-CG2 4.26Å; F277-T280 WeakPolarHBondContact CA-OG1 3.41Å; F277-T280 PolarHBondContact O-N 3.36Å; F277-T280 PolarHBondContact O-OG1 2.76Å; E278-T280 PolarHBondContact O-N 3.04Å; T280-N282 PolarHBondContact O-N 3Å; T280-L283 WeakPolarHBondContact O-CB 3.23Å; T280-L283 PolarHBondContact O-N 2.93Å
281	P	94	Very high	96	Very high	51 Å²	51	37.6 Å²	37.6	33%	0.331	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-21.7	-172.5	27.4	-36.4	0	0	0	114.3	S279 S306	S279-P281 VanDerWaalsContact C-CD 3.46Å; S279-P281 WeakPolarHBondContact O-CD 3.47Å; P281-S306 WeakPolarHBondContact O-CB 3.11Å; P281-S306 PolarHBondContact O-OG 3.17Å
282	N	96.3	Very high	96.1	Very high	75 Å²	75	37.1 Å²	37.1	40%	0.401	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	19.6	-176.2	-64	-43.7	0	0	0	113.1	H257 L259 T280 K284	H257-N282 PolarHBondContact O-ND2 2.81Å; L259-N282 CarbonylContact O-C 3.5Å; T280-N282 PolarHBondContact O-N 3Å; N282-K284 PolarHBondContact O-N 2.83Å
283	L	97.6	Very high	96.1	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.031	19%	0.187	C	C	.	.			trans	-66.7	127	178.3	-170.6	66.8	0	0	0	109.9	L259 I262 F277 T280 L286 S306 L307	L259-L283 PolarHBondContact O-N 3.24Å; I262-L283 HydrophobicContact CB-CD1 4.17Å; I262-L283 HydrophobicContact CD1-CD1 3.94Å; I262-L283 HydrophobicContact CD1-CD2 4.23Å; I262-L283 HydrophobicContact CG1-CD1 3.73Å; F277-L283 HydrophobicContact CD1-CD2 4.1Å; F277-L283 HydrophobicContact CE1-CD2 4.28Å; T280-L283 WeakPolarHBondContact O-CB 3.23Å; T280-L283 PolarHBondContact O-N 2.93Å; L283-L286 HydrophobicContact CD2-CB 4.1Å; L283-L286 HydrophobicContact CD2-CD1 4.32Å; L283-L286 HydrophobicContact CD2-CD2 4.38Å; L283-S306 CarbonylContact O-C 3.09Å; L283-S306 WeakPolarHBondContact O-CB 3.34Å; L283-S306 VanDerWaalsContact O-O 3.04Å; L283-L307 HydrophobicContact CB-CD2 4.34Å; L283-L307 HydrophobicContact CD2-CD2 4.09Å; L283-L307 HydrophobicContact CG-CD2 3.86Å; L283-L307 PolarHBondContact O-N 3.27Å
284	K	98.1	Very high	96.1	Very high	80 Å²	80	35.9 Å²	35.9	35%	0.348	19%	0.189	S	C	.	.			trans	-108.1	-36	-179.3	-62.1	179	-174.7	164.3	0	112.6	E260 N282 D308 S309	E260-K284 HydrophobicContact CB-CD 4.41Å; E260-K284 HydrophobicContact CG-CD 4.31Å; E260-K284 WeakPolarHBondContact O-CA 3.21Å; E260-K284 WeakPolarHBondContact O-CB 3.36Å; E260-K284 PolarHBondContact O-N 3.34Å; E260-K284 IonicContact OE2-NZ 3.9Å; E260-K284 PolarHBondContact OE2-NZ 3.44Å; N282-K284 PolarHBondContact O-N 2.83Å; K284-D308 HydrophobicContact CB-CB 4.44Å; K284-D308 PolarHBondContact O-N 3.2Å; K284-S309 PolarHBondContact O-N 3.4Å
285	V	98.6	Very high	96.2	Very high	40 Å²	40	37 Å²	37	24%	0.242	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	119.9	-176.3	-177.1	0	0	0	0	109.3	E260 K261 I262 M287 S309	E260-V285 PolarHBondContact O-N 2.94Å; K261-V285 WeakPolarHBondContact CA-O 3.13Å; K261-V285 HydrophobicContact CB-CB 4.1Å; K261-V285 HydrophobicContact CD-CB 4.39Å; K261-V285 HydrophobicContact CD-CG1 4.26Å; K261-V285 HydrophobicContact CG-CB 3.95Å; K261-V285 HydrophobicContact CG-CG1 4.08Å; I262-V285 PolarHBondContact N-O 3.01Å; V285-M287 HydrophobicContact CG1-CG 4.3Å; V285-S309 WeakPolarHBondContact CA-O 3.1Å
286	L	98.6	Very high	96.4	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	120.2	175.5	178.5	58.2	0	0	0	109.7	I262 F277 L283 L288 W304 L307 S309 I310 T311	I262-L286 HydrophobicContact CB-CD1 4.18Å; I262-L286 HydrophobicContact CG2-CD1 4.23Å; I262-L286 WeakPolarHBondContact O-CA 3.4Å; F277-L286 HydrophobicContact CE1-CD1 3.95Å; F277-L286 HydrophobicContact CE1-CD2 4.13Å; F277-L286 HydrophobicContact CE2-CD2 4.44Å; F277-L286 HydrophobicContact CZ-CD1 4.03Å; F277-L286 HydrophobicContact CZ-CD2 3.94Å; L283-L286 HydrophobicContact CD2-CB 4.1Å; L283-L286 HydrophobicContact CD2-CD1 4.32Å; L283-L286 HydrophobicContact CD2-CD2 4.38Å; L286-L288 HydrophobicContact CD1-CD1 4.25Å; L286-L288 HydrophobicContact CD1-CG 4.06Å; L286-L288 HydrophobicContact CD2-CD1 3.72Å; L286-L288 HydrophobicContact CD2-CG 4.39Å; L286-L288 HydrophobicContact CG-CD1 3.9Å; L286-L288 HydrophobicContact CG-CG 4.02Å; L286-W304 HydrophobicContact CD2-CD2 4.23Å; L286-W304 VanDerWaalsContact CD2-CE2 3.48Å; L286-W304 HydrophobicContact CD2-CH2 4.32Å; L286-W304 HydrophobicContact CD2-CZ2 3.55Å; L286-L307 HydrophobicContact CB-CD1 4.13Å; L286-L307 HydrophobicContact CB-CD2 3.8Å; L286-L307 HydrophobicContact CD2-CD1 4.32Å; L286-S309 PolarHBondContact N-O 2.81Å; L286-I310 VanDerWaalsContact O-CA 3.27Å; L286-I310 WeakPolarHBondContact O-CA 3.23Å; L286-T311 PolarHBondContact O-N 2.78Å; L286-T311 VanDerWaalsContact O-N 3.09Å
287	M	98.6	Very high	96.5	Very high	44 Å²	44	37.6 Å²	37.6	22%	0.217	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.7	176.8	-57.7	171.1	59.1	0	0	109.6	I262 D263 L264 S265 V285 T311	I262-M287 PolarHBondContact O-N 3.41Å; D263-M287 HydrophobicContact CB-CB 4.41Å; D263-M287 HydrophobicContact CB-SD 4.25Å; D263-M287 WeakPolarHBondContact OD1-CB 3.44Å; L264-M287 CarbonylContact C-O 3.4Å; L264-M287 WeakPolarHBondContact CA-O 3.09Å; L264-M287 WeakPolarHBondContact CB-O 3.38Å; L264-M287 PolarHBondContact N-O 3.17Å; S265-M287 PolarHBondContact N-O 3.12Å; V285-M287 HydrophobicContact CG1-CG 4.3Å; M287-T311 WeakPolarHBondContact CA-OG1 3.01Å; M287-T311 WeakPolarHBondContact CB-OG1 3.47Å
288	L	98.1	Very high	96.5	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.223	C	C	.	.			trans	-129.7	12.2	-178.1	-77.3	169.6	0	0	0	111.6	L264 I269 I272 L286 N291 W304 T311 L312 N315	L264-L288 HydrophobicContact CB-CD2 3.85Å; L264-L288 HydrophobicContact CD1-CD2 3.97Å; I269-L288 HydrophobicContact CD1-CD2 4.39Å; I272-L288 HydrophobicContact CD1-CD1 4.25Å; I272-L288 HydrophobicContact CD1-CD2 4.16Å; L286-L288 HydrophobicContact CD1-CD1 4.25Å; L286-L288 HydrophobicContact CD1-CG 4.06Å; L286-L288 HydrophobicContact CD2-CD1 3.72Å; L286-L288 HydrophobicContact CD2-CG 4.39Å; L286-L288 HydrophobicContact CG-CD1 3.9Å; L286-L288 HydrophobicContact CG-CG 4.02Å; L288-N291 PolarHBondContact O-ND2 3.08Å; L288-W304 HydrophobicContact CD1-CH2 3.99Å; L288-W304 HydrophobicContact CD1-CZ2 3.89Å; L288-T311 CarbonylContact C-O 3.46Å; L288-T311 WeakPolarHBondContact CA-O 3.36Å; L288-T311 WeakPolarHBondContact CB-O 3.41Å; L288-T311 PolarHBondContact N-O 2.57Å; L288-T311 PolarHBondContact N-OG1 2.8Å; L288-L312 HydrophobicContact CB-CD2 3.91Å; L288-L312 HydrophobicContact CD1-CD2 4.13Å; L288-N315 PolarHBondContact O-ND2 3.04Å
289	D	97.9	Very high	96.7	Very high	33 Å²	33	42.3 Å²	42.3	18%	0.176	22%	0.221	C	C	.	.			trans	-65.7	157.4	177.6	63	-83.8	0	0	0	112.5	S265 A266 N291 T311 A313	S265-D289 CarbonylContact C-O 3.38Å; S265-D289 WeakPolarHBondContact CA-O 3.16Å; S265-D289 WeakPolarHBondContact CB-OD1 3.15Å; A266-D289 PolarHBondContact N-O 3.47Å; D289-N291 PolarHBondContact O-ND2 3.41Å; D289-T311 PolarHBondContact N-O 3.46Å; D289-T311 WeakPolarHBondContact OD1-CB 3.33Å; D289-T311 PolarHBondContact OD1-OG1 2.81Å; D289-A313 CarbonylContact C-O 3.52Å; D289-A313 WeakPolarHBondContact CA-O 3.3Å; D289-A313 VanDerWaalsContact CB-O 3.27Å; D289-A313 WeakPolarHBondContact CB-O 3.18Å
290	S	97.7	Very high	96.9	Very high	60 Å²	60	42.2 Å²	42.2	42%	0.42	22%	0.22	S	C	.	.	S	Bend	trans	56.8	52.4	178.7	-46.2	0	0	0	0	112.2	A266 N267 A313 G314	A266-S290 WeakPolarHBondContact CA-O 3.42Å; A266-S290 PolarHBondContact N-O 3.05Å; N267-S290 PolarHBondContact N-O 3.22Å; S290-A313 PolarHBondContact N-O 3.11Å; S290-G314 VanDerWaalsContact CA-O 3.32Å; S290-G314 WeakPolarHBondContact CA-O 3.47Å
291	N	98.6	Very high	97	Very high	7 Å²	7	42.1 Å²	42.1	4%	0.037	22%	0.219	C	C	.	.	S	Bend	trans	-125	-167.7	176.8	-87.3	-71.9	0	0	0	109.9	L264 N267 I269 L288 D289 L293 G314 N315	L264-N291 PolarHBondContact O-ND2 3.38Å; N267-N291 WeakPolarHBondContact CA-OD1 3.22Å; N267-N291 WeakPolarHBondContact CB-OD1 3.41Å; N267-N291 PolarHBondContact N-OD1 3.01Å; N267-N291 PolarHBondContact O-OD1 3.5Å; I269-N291 HydrophobicContact CB-CB 4.32Å; I269-N291 WeakPolarHBondContact CB-OD1 3.45Å; I269-N291 WeakPolarHBondContact CD1-OD1 3.46Å; I269-N291 VanDerWaalsContact CG1-OD1 3.28Å; I269-N291 WeakPolarHBondContact CG1-OD1 3.33Å; I269-N291 PolarHBondContact N-OD1 3.18Å; L288-N291 PolarHBondContact O-ND2 3.08Å; D289-N291 PolarHBondContact O-ND2 3.41Å; N291-L293 HydrophobicContact CB-CG 4.49Å; N291-G314 PolarHBondContact N-O 2.92Å; N291-G314 VanDerWaalsContact O-O 3.1Å; N291-N315 WeakPolarHBondContact CA-OD1 3.19Å; N291-N315 WeakPolarHBondContact CB-OD1 3.42Å; N291-N315 WeakPolarHBondContact O-CA 3.44Å; N291-N315 PolarHBondContact O-OD1 3.22Å
292	R	98.1	Very high	97.1	Very high	115 Å²	115	44.6 Å²	44.6	43%	0.434	23%	0.23	S	C	.	.			trans	-117	29.2	-178.9	-62.5	179.1	-178.2	-92.3	4.7	112.3	I269 E270 A294 N315	I269-R292 CarbonylContact O-C 3.6Å; I269-R292 WeakPolarHBondContact O-CA 3.47Å; I269-R292 PolarHBondContact O-N 3.03Å; E270-R292 HydrophobicContact CG-CB 3.79Å; R292-A294 PolarHBondContact O-N 3.5Å; R292-N315 PolarHBondContact N-OD1 3.25Å
293	L	97.8	Very high	97	Very high	1 Å²	1	42 Å²	42	1%	0.005	22%	0.218	C	C	.	.			trans	-72.1	125.5	-177.9	-64.1	169.1	0	0	0	110.2	I269 I272 N291 L296 N315 D316 W317	I269-L293 HydrophobicContact CG2-CD2 3.91Å; I269-L293 PolarHBondContact O-N 2.82Å; I269-L293 VanDerWaalsContact O-N 3.15Å; I272-L293 HydrophobicContact CD1-CD1 4.22Å; I272-L293 HydrophobicContact CD1-CD2 4.05Å; I272-L293 HydrophobicContact CG1-CD2 4.12Å; N291-L293 HydrophobicContact CB-CG 4.49Å; L293-L296 HydrophobicContact CD1-CD2 4.43Å; L293-N315 HydrophobicContact CB-CB 4.2Å; L293-N315 VanDerWaalsContact CB-OD1 3.25Å; L293-N315 WeakPolarHBondContact CB-OD1 3.49Å; L293-N315 WeakPolarHBondContact CG-OD1 3.21Å; L293-N315 PolarHBondContact N-OD1 3.15Å; L293-D316 CarbonylContact O-C 3.04Å; L293-D316 VanDerWaalsContact O-C 3.24Å; L293-D316 PolarHBondContact O-N 3.01Å; L293-D316 VanDerWaalsContact O-N 3.08Å; L293-W317 HydrophobicContact CB-CH2 3.88Å; L293-W317 HydrophobicContact CB-CZ2 4.46Å; L293-W317 HydrophobicContact CB-CZ3 4.07Å; L293-W317 HydrophobicContact CD1-CH2 4.19Å; L293-W317 PolarHBondContact O-N 2.95Å
294	A	96.8	Very high	96.9	Very high	36 Å²	36	42.2 Å²	42.2	30%	0.298	22%	0.218	S	C	.	.			trans	-92.3	-36	174.6	0	0	0	0	0	112.9	R292 D316 E318	R292-A294 PolarHBondContact O-N 3.5Å; A294-D316 WeakPolarHBondContact CA-O 3.04Å; A294-E318 HydrophobicContact CB-CB 4.43Å; A294-E318 PolarHBondContact O-N 2.93Å
295	S	95.5	Very high	96.7	Very high	51 Å²	51	43.2 Å²	43.2	36%	0.357	24%	0.235	S	C	.	.			trans	-154.6	167.6	179.3	61.4	0	0	0	0	110.6
296	L	96.5	Very high	96.5	Very high	10 Å²	10	43.5 Å²	43.5	5%	0.052	24%	0.239	C	C	.	.			trans	-129.1	135.7	177.2	-74.4	168.5	0	0	0	110	I272 L293 I300 L301 W304 L312 W317 L326	I272-L296 HydrophobicContact CD1-CD2 4.29Å; L293-L296 HydrophobicContact CD1-CD2 4.43Å; L296-I300 HydrophobicContact CD2-CD1 4.27Å; L296-I300 HydrophobicContact CD2-CG2 4.41Å; L296-L301 HydrophobicContact CB-CD2 4.29Å; L296-L301 HydrophobicContact CB-CG 4.49Å; L296-L301 HydrophobicContact CD1-CD2 4.17Å; L296-W304 HydrophobicContact CD1-CH2 3.58Å; L296-W304 HydrophobicContact CD1-CZ3 3.93Å; L296-W304 HydrophobicContact CD2-CH2 4.33Å; L296-L312 HydrophobicContact CD1-CD2 4.38Å; L296-W317 HydrophobicContact CD1-CH2 3.66Å; L296-W317 HydrophobicContact CD1-CZ3 4.08Å; L296-W317 HydrophobicContact CG-CH2 3.96Å; L296-W317 HydrophobicContact CG-CZ3 3.99Å; L296-L326 HydrophobicContact CD1-CD1 4.02Å; L296-L326 HydrophobicContact CD1-CD2 4.42Å
297	D	95.6	Very high	96.5	Very high	81 Å²	81	44.1 Å²	44.1	43%	0.433	24%	0.242	S	C	.	.			trans	-70	144	176.3	-172.3	-84	0	0	0	111.2	P274 R299 I300 L301	P274-D297 HydrophobicContact CG-CB 4.44Å; D297-R299 PolarHBondContact O-N 3.46Å; D297-R299 WeakPolarHBondContact OD1-CB 3.32Å; D297-R299 PolarHBondContact OD1-N 3.33Å; D297-I300 HydrophobicContact CB-CD1 4.1Å; D297-I300 HydrophobicContact CB-CG1 4.23Å; D297-I300 WeakPolarHBondContact O-CB 3.24Å; D297-I300 PolarHBondContact O-N 3.03Å; D297-I300 VanDerWaalsContact O-N 3.08Å; D297-L301 PolarHBondContact O-N 3.01Å
298	Q	94.9	Very high	96.5	Very high	90 Å²	90	46.8 Å²	46.8	42%	0.421	26%	0.257	S	S	.	.	H	α-helix	trans	-54.5	-38.3	179.5	-178.1	64.7	43.1	0	0	112.1	I300 L301 D302 A325	Q298-I300 VanDerWaalsContact C-N 3.28Å; Q298-I300 PolarHBondContact O-N 2.78Å; Q298-L301 WeakPolarHBondContact O-CB 3.28Å; Q298-L301 PolarHBondContact O-N 3.1Å; Q298-L301 VanDerWaalsContact O-N 3.11Å; Q298-D302 PolarHBondContact NE2-OD1 2.99Å; Q298-D302 PolarHBondContact O-N 2.81Å; Q298-A325 VanDerWaalsContact OE1-CB 3.27Å
299	R	95.6	Very high	96.5	Very high	101 Å²	101	48 Å²	48	38%	0.381	27%	0.265	S	S	.	.	H	α-helix	trans	-66.5	-31.7	-178.1	-170.8	173.5	-175.9	163.6	-0.3	112.8	P274 H275 E278 D297 S303	P274-R299 HydrophobicContact CB-CB 4.17Å; P274-R299 HydrophobicContact CB-CG 4.4Å; H275-R299 PolarHBondContact CD2-NH1 2.74Å; H275-R299 PolarHBondContact CD2-NH2 2.97Å; H275-R299 PolarHBondContact CE1-NH1 3.12Å; H275-R299 PolarHBondContact NE2-NH1 2.96Å; H275-R299 PolarHBondContact NE2-NH2 3.29Å; H275-R299 VanDerWaalsContact NE2-NH2 3.1Å; E278-R299 IonicContact OE1-CZ 3.25Å; E278-R299 IonicContact OE1-NE 2.8Å; E278-R299 PolarHBondContact OE1-NE 2.99Å; E278-R299 IonicContact OE1-NH2 3.36Å; E278-R299 PolarHBondContact OE1-NH2 2.99Å; E278-R299 IonicContact OE2-NH2 3.93Å; D297-R299 PolarHBondContact O-N 3.46Å; D297-R299 WeakPolarHBondContact OD1-CB 3.32Å; D297-R299 PolarHBondContact OD1-N 3.33Å; R299-S303 PolarHBondContact O-N 3.38Å
300	I	96.4	Very high	96.5	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-64.1	-48.3	172.5	-63.1	172.9	0	0	0	109	I272 F277 L296 D297 Q298 D302 S303 W304	I272-I300 HydrophobicContact CB-CD1 3.91Å; I272-I300 HydrophobicContact CG2-CD1 3.84Å; F277-I300 HydrophobicContact CD2-CG2 3.96Å; F277-I300 HydrophobicContact CE2-CG2 4.22Å; L296-I300 HydrophobicContact CD2-CD1 4.27Å; L296-I300 HydrophobicContact CD2-CG2 4.41Å; D297-I300 HydrophobicContact CB-CD1 4.1Å; D297-I300 HydrophobicContact CB-CG1 4.23Å; D297-I300 WeakPolarHBondContact O-CB 3.24Å; D297-I300 PolarHBondContact O-N 3.03Å; D297-I300 VanDerWaalsContact O-N 3.08Å; Q298-I300 VanDerWaalsContact C-N 3.28Å; Q298-I300 PolarHBondContact O-N 2.78Å; I300-D302 VanDerWaalsContact C-N 3.33Å; I300-D302 PolarHBondContact O-N 2.93Å; I300-S303 WeakPolarHBondContact O-CB 3.11Å; I300-S303 PolarHBondContact O-N 3.17Å; I300-S303 VanDerWaalsContact O-N 3.15Å; I300-S303 PolarHBondContact O-OG 3.25Å; I300-W304 HydrophobicContact CG2-CD2 4.38Å; I300-W304 HydrophobicContact CG2-CH2 4.03Å; I300-W304 HydrophobicContact CG2-CZ2 3.38Å; I300-W304 PolarHBondContact O-N 3.46Å
301	L	96.4	Very high	96.5	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-63.5	-38.9	-178.9	-58.8	172.7	0	0	0	112.1	L296 D297 Q298 S303 W304 A325 L326 W329	L296-L301 HydrophobicContact CB-CD2 4.29Å; L296-L301 HydrophobicContact CB-CG 4.49Å; L296-L301 HydrophobicContact CD1-CD2 4.17Å; D297-L301 PolarHBondContact O-N 3.01Å; Q298-L301 WeakPolarHBondContact O-CB 3.28Å; Q298-L301 PolarHBondContact O-N 3.1Å; Q298-L301 VanDerWaalsContact O-N 3.11Å; L301-S303 PolarHBondContact O-N 3.12Å; L301-W304 HydrophobicContact CD2-CE3 3.72Å; L301-W304 HydrophobicContact CD2-CH2 4.32Å; L301-W304 HydrophobicContact CD2-CZ3 3.5Å; L301-W304 PolarHBondContact O-N 3.1Å; L301-W304 VanDerWaalsContact O-N 3.16Å; L301-A325 HydrophobicContact CD1-CB 3.75Å; L301-A325 WeakPolarHBondContact CD1-O 3.25Å; L301-L326 HydrophobicContact CD1-CB 4.44Å; L301-L326 HydrophobicContact CD2-CD1 4.03Å; L301-W329 HydrophobicContact CB-CB 4.38Å; L301-W329 HydrophobicContact CB-CG 4.09Å; L301-W329 HydrophobicContact CD1-CB 4.16Å; L301-W329 HydrophobicContact CD2-CB 4.33Å; L301-W329 HydrophobicContact CD2-CD2 4.29Å; L301-W329 HydrophobicContact CD2-CG 4.13Å; L301-W329 PolarHBondContact O-NE1 3.09Å; L301-W329 VanDerWaalsContact O-NE1 3.16Å
302	D	94.9	Very high	96.4	Very high	102 Å²	102	44.4 Å²	44.4	55%	0.545	24%	0.243	S	C	.	.	H	α-helix	trans	-63.2	-31.1	176.9	-66.6	-18.9	0	0	0	112.1	Q298 I300 W304	Q298-D302 PolarHBondContact NE2-OD1 2.99Å; Q298-D302 PolarHBondContact O-N 2.81Å; I300-D302 VanDerWaalsContact C-N 3.33Å; I300-D302 PolarHBondContact O-N 2.93Å; D302-W304 VanDerWaalsContact C-N 3.32Å; D302-W304 PolarHBondContact O-N 3.06Å
303	S	95.1	Very high	96.4	Very high	22 Å²	22	40.2 Å²	40.2	15%	0.154	23%	0.233	C	C	.	.	H	α-helix	trans	-73.5	-21.5	177.5	77.7	0	0	0	0	113.5	F277 R299 I300 L301 S305	F277-S303 WeakPolarHBondContact CB-OG 3.37Å; R299-S303 PolarHBondContact O-N 3.38Å; I300-S303 WeakPolarHBondContact O-CB 3.11Å; I300-S303 PolarHBondContact O-N 3.17Å; I300-S303 VanDerWaalsContact O-N 3.15Å; I300-S303 PolarHBondContact O-OG 3.25Å; L301-S303 PolarHBondContact O-N 3.12Å; S303-S305 PolarHBondContact O-N 3.13Å
304	W	95.3	Very high	96.3	Very high	9 Å²	9	43 Å²	43	3%	0.034	26%	0.261	C	S	.	.			trans	-81	39	-177.3	-66.7	-9.3	0	0	0	113.9	F277 L286 L288 L296 I300 L301 D302 S306 L307 I310 W329	F277-W304 HydrophobicContact CD2-CZ2 4.39Å; F277-W304 AromaticContact CD2-NE1 3.29Å; F277-W304 VanDerWaalsContact CD2-NE1 3.29Å; F277-W304 HydrophobicContact CE2-CZ2 4Å; F277-W304 AromaticContact CE2-NE1 3.63Å; F277-W304 AromaticContact CG-NE1 3.55Å; L286-W304 HydrophobicContact CD2-CD2 4.23Å; L286-W304 VanDerWaalsContact CD2-CE2 3.48Å; L286-W304 HydrophobicContact CD2-CH2 4.32Å; L286-W304 HydrophobicContact CD2-CZ2 3.55Å; L288-W304 HydrophobicContact CD1-CH2 3.99Å; L288-W304 HydrophobicContact CD1-CZ2 3.89Å; L296-W304 HydrophobicContact CD1-CH2 3.58Å; L296-W304 HydrophobicContact CD1-CZ3 3.93Å; L296-W304 HydrophobicContact CD2-CH2 4.33Å; I300-W304 HydrophobicContact CG2-CD2 4.38Å; I300-W304 HydrophobicContact CG2-CH2 4.03Å; I300-W304 HydrophobicContact CG2-CZ2 3.38Å; I300-W304 PolarHBondContact O-N 3.46Å; L301-W304 HydrophobicContact CD2-CE3 3.72Å; L301-W304 HydrophobicContact CD2-CH2 4.32Å; L301-W304 HydrophobicContact CD2-CZ3 3.5Å; L301-W304 PolarHBondContact O-N 3.1Å; L301-W304 VanDerWaalsContact O-N 3.16Å; D302-W304 VanDerWaalsContact C-N 3.32Å; D302-W304 PolarHBondContact O-N 3.06Å; W304-S306 PolarHBondContact O-N 3.46Å; W304-L307 HydrophobicContact CB-CD1 3.65Å; W304-L307 HydrophobicContact CB-CG 4.13Å; W304-L307 HydrophobicContact CD2-CD1 4.03Å; W304-L307 HydrophobicContact CE3-CD1 4.38Å; W304-L307 HydrophobicContact CG-CD1 3.72Å; W304-I310 HydrophobicContact CD2-CD1 4.4Å; W304-I310 HydrophobicContact CE3-CD1 3.65Å; W304-I310 HydrophobicContact CH2-CD1 4Å; W304-I310 HydrophobicContact CZ3-CD1 3.42Å; W304-I310 VanDerWaalsContact CZ3-CD1 3.42Å; W304-W329 HydrophobicContact CB-CZ2 3.83Å; W304-W329 HydrophobicContact CE3-CH2 4.09Å; W304-W329 AromaticContact CE3-CZ2 3.92Å; W304-W329 HydrophobicContact CE3-CZ2 3.92Å; W304-W329 HydrophobicContact CE3-CZ3 4.47Å
305	S	93.2	Very high	96.4	Very high	101 Å²	101	41.7 Å²	41.7	71%	0.706	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-26.1	-173.6	57.1	0	0	0	0	114.7	S303	S303-S305 PolarHBondContact O-N 3.13Å
306	S	96	Very high	96.4	Very high	47 Å²	47	42.4 Å²	42.4	33%	0.329	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	5.7	-175	-60.7	0	0	0	0	114.3	P281 L283 W304 D308	P281-S306 WeakPolarHBondContact O-CB 3.11Å; P281-S306 PolarHBondContact O-OG 3.17Å; L283-S306 CarbonylContact O-C 3.09Å; L283-S306 WeakPolarHBondContact O-CB 3.34Å; L283-S306 VanDerWaalsContact O-O 3.04Å; W304-S306 PolarHBondContact O-N 3.46Å; S306-D308 PolarHBondContact O-N 2.01Å
307	L	97.8	Very high	96.5	Very high	13 Å²	13	42 Å²	42	7%	0.068	25%	0.247	C	C	.	.			trans	-70.3	129.8	-175.2	-74.1	-177	0	0	0	112.2	L283 L286 W304 I310 W329 F333	L283-L307 HydrophobicContact CB-CD2 4.34Å; L283-L307 HydrophobicContact CD2-CD2 4.09Å; L283-L307 HydrophobicContact CG-CD2 3.86Å; L283-L307 PolarHBondContact O-N 3.27Å; L286-L307 HydrophobicContact CB-CD1 4.13Å; L286-L307 HydrophobicContact CB-CD2 3.8Å; L286-L307 HydrophobicContact CD2-CD1 4.32Å; W304-L307 HydrophobicContact CB-CD1 3.65Å; W304-L307 HydrophobicContact CB-CG 4.13Å; W304-L307 HydrophobicContact CD2-CD1 4.03Å; W304-L307 HydrophobicContact CE3-CD1 4.38Å; W304-L307 HydrophobicContact CG-CD1 3.72Å; L307-I310 HydrophobicContact CD1-CB 4.32Å; L307-I310 HydrophobicContact CD1-CD1 4.01Å; L307-I310 HydrophobicContact CD1-CG1 4.38Å; L307-W329 HydrophobicContact CD1-CH2 4.38Å; L307-W329 HydrophobicContact CD1-CZ2 4.4Å; L307-F333 HydrophobicContact CB-CE2 3.92Å; L307-F333 HydrophobicContact CB-CZ 4.26Å; L307-F333 VanDerWaalsContact O-CE2 3.29Å; L307-F333 WeakPolarHBondContact O-CE2 3.04Å
308	D	97.6	Very high	96.5	Very high	99 Å²	99	41.3 Å²	41.3	53%	0.529	24%	0.241	S	C	.	.	S	Bend	trans	-94.4	-29.6	168.6	-69.1	-38.7	0	0	0	111.5	K284 S306 G335 Q336	K284-D308 HydrophobicContact CB-CB 4.44Å; K284-D308 PolarHBondContact O-N 3.2Å; S306-D308 PolarHBondContact O-N 2.01Å; D308-G335 CarbonylContact O-C 3.1Å; D308-G335 WeakPolarHBondContact O-CA 3.36Å; D308-Q336 PolarHBondContact O-N 3.23Å
309	S	98.1	Very high	96.6	Very high	25 Å²	25	37.1 Å²	37.1	18%	0.175	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	135.7	-176.1	-173.9	0	0	0	0	111.9	K284 V285 L286 Q336	K284-S309 PolarHBondContact O-N 3.4Å; V285-S309 WeakPolarHBondContact CA-O 3.1Å; L286-S309 PolarHBondContact N-O 2.81Å; S309-Q336 CarbonylContact C-O 3.48Å; S309-Q336 VanDerWaalsContact CA-O 3.23Å; S309-Q336 WeakPolarHBondContact CA-O 3.21Å
310	I	97.9	Very high	96.5	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	139.1	175.9	-165.8	172.5	0	0	0	112	L286 W304 L307 L312 W329 F333 Q336 R337	L286-I310 VanDerWaalsContact O-CA 3.27Å; L286-I310 WeakPolarHBondContact O-CA 3.23Å; W304-I310 HydrophobicContact CD2-CD1 4.4Å; W304-I310 HydrophobicContact CE3-CD1 3.65Å; W304-I310 HydrophobicContact CH2-CD1 4Å; W304-I310 HydrophobicContact CZ3-CD1 3.42Å; W304-I310 VanDerWaalsContact CZ3-CD1 3.42Å; L307-I310 HydrophobicContact CD1-CB 4.32Å; L307-I310 HydrophobicContact CD1-CD1 4.01Å; L307-I310 HydrophobicContact CD1-CG1 4.38Å; I310-L312 HydrophobicContact CD1-CD1 3.88Å; I310-L312 HydrophobicContact CD1-CD2 4.25Å; I310-L312 HydrophobicContact CD1-CG 4Å; I310-L312 HydrophobicContact CG1-CD1 4.36Å; I310-L312 HydrophobicContact CG1-CG 4.06Å; I310-W329 HydrophobicContact CD1-CH2 3.84Å; I310-W329 HydrophobicContact CD1-CZ3 4.04Å; I310-W329 HydrophobicContact CG2-CH2 4.04Å; I310-W329 HydrophobicContact CG2-CZ3 4.09Å; I310-F333 HydrophobicContact CG2-CD1 4.21Å; I310-F333 HydrophobicContact CG2-CE1 3.67Å; I310-F333 HydrophobicContact CG2-CZ 4.05Å; I310-Q336 PolarHBondContact N-O 3.05Å; I310-R337 HydrophobicContact CG2-CB 3.98Å; I310-R337 VanDerWaalsContact O-CA 3.3Å; I310-R337 WeakPolarHBondContact O-CA 3.5Å
311	T	97.9	Very high	96.3	Very high	23 Å²	23	41.1 Å²	41.1	14%	0.141	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.3	168.4	62.4	0	0	0	0	110.3	L286 M287 L288 D289 D338	L286-T311 PolarHBondContact O-N 2.78Å; L286-T311 VanDerWaalsContact O-N 3.09Å; M287-T311 WeakPolarHBondContact CA-OG1 3.01Å; M287-T311 WeakPolarHBondContact CB-OG1 3.47Å; L288-T311 CarbonylContact C-O 3.46Å; L288-T311 WeakPolarHBondContact CA-O 3.36Å; L288-T311 WeakPolarHBondContact CB-O 3.41Å; L288-T311 PolarHBondContact N-O 2.57Å; L288-T311 PolarHBondContact N-OG1 2.8Å; D289-T311 PolarHBondContact N-O 3.46Å; D289-T311 WeakPolarHBondContact OD1-CB 3.33Å; D289-T311 PolarHBondContact OD1-OG1 2.81Å; T311-D338 WeakPolarHBondContact CA-OD2 3.21Å; T311-D338 WeakPolarHBondContact CB-OD2 3.3Å; T311-D338 WeakPolarHBondContact CG2-OD1 3.38Å
312	L	97.8	Very high	96.1	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.01	26%	0.264	C	S	.	.			trans	-141.5	-4	-173.1	-71.7	174.9	0	0	0	112.5	L288 L296 I310 N315 W317 L326 L330 D338 L341	L288-L312 HydrophobicContact CB-CD2 3.91Å; L288-L312 HydrophobicContact CD1-CD2 4.13Å; L296-L312 HydrophobicContact CD1-CD2 4.38Å; I310-L312 HydrophobicContact CD1-CD1 3.88Å; I310-L312 HydrophobicContact CD1-CD2 4.25Å; I310-L312 HydrophobicContact CD1-CG 4Å; I310-L312 HydrophobicContact CG1-CD1 4.36Å; I310-L312 HydrophobicContact CG1-CG 4.06Å; L312-N315 PolarHBondContact O-ND2 2.88Å; L312-W317 HydrophobicContact CB-CZ2 3.9Å; L312-W317 HydrophobicContact CD1-CZ2 4.47Å; L312-W317 HydrophobicContact CD2-CH2 4.18Å; L312-W317 HydrophobicContact CD2-CZ2 3.91Å; L312-W317 HydrophobicContact CG-CZ2 4.3Å; L312-W317 PolarHBondContact O-NE1 3.32Å; L312-W317 VanDerWaalsContact O-NE1 3.1Å; L312-L326 HydrophobicContact CD1-CD1 3.96Å; L312-L330 HydrophobicContact CD1-CD2 4.4Å; L312-D338 PolarHBondContact N-OD2 3.47Å; L312-L341 HydrophobicContact CB-CD1 4.23Å; L312-L341 HydrophobicContact CB-CD2 3.75Å; L312-L341 HydrophobicContact CB-CG 4.15Å; L312-L341 HydrophobicContact CD1-CD2 4.11Å
313	A	97.1	Very high	96.1	Very high	27 Å²	27	40.4 Å²	40.4	22%	0.223	24%	0.238	C	C	.	.			trans	-60.9	154.1	179.1	0	0	0	0	0	112.4	D289 S290 N315 D338	D289-A313 CarbonylContact C-O 3.52Å; D289-A313 WeakPolarHBondContact CA-O 3.3Å; D289-A313 VanDerWaalsContact CB-O 3.27Å; D289-A313 WeakPolarHBondContact CB-O 3.18Å; S290-A313 PolarHBondContact N-O 3.11Å; A313-N315 VanDerWaalsContact C-N 3.34Å; A313-N315 PolarHBondContact O-N 2.82Å; A313-D338 HydrophobicContact CB-CB 4.01Å; A313-D338 WeakPolarHBondContact CB-OD2 3.5Å; A313-D338 PolarHBondContact N-OD2 3.5Å
314	G	95.9	Very high	96.1	Very high	58 Å²	58	40.6 Å²	40.6	60%	0.598	24%	0.239	S	C	*	.	S	Bend	trans	69.5	29.2	178	0	0	0	0	0	114.3	S290 N291	S290-G314 VanDerWaalsContact CA-O 3.32Å; S290-G314 WeakPolarHBondContact CA-O 3.47Å; N291-G314 PolarHBondContact N-O 2.92Å; N291-G314 VanDerWaalsContact O-O 3.1Å
315	N	97.8	Very high	96.1	Very high	9 Å²	9	41.3 Å²	41.3	5%	0.048	25%	0.246	C	C	.	.	S	Bend	trans	-103.7	166.9	168.2	-82.4	-79.3	0	0	0	110.7	L288 N291 R292 L293 L312 A313 W317	L288-N315 PolarHBondContact O-ND2 3.04Å; N291-N315 WeakPolarHBondContact CA-OD1 3.19Å; N291-N315 WeakPolarHBondContact CB-OD1 3.42Å; N291-N315 WeakPolarHBondContact O-CA 3.44Å; N291-N315 PolarHBondContact O-OD1 3.22Å; R292-N315 PolarHBondContact N-OD1 3.25Å; L293-N315 HydrophobicContact CB-CB 4.2Å; L293-N315 VanDerWaalsContact CB-OD1 3.25Å; L293-N315 WeakPolarHBondContact CB-OD1 3.49Å; L293-N315 WeakPolarHBondContact CG-OD1 3.21Å; L293-N315 PolarHBondContact N-OD1 3.15Å; L312-N315 PolarHBondContact O-ND2 2.88Å; A313-N315 VanDerWaalsContact C-N 3.34Å; A313-N315 PolarHBondContact O-N 2.82Å; N315-W317 VanDerWaalsContact C-N 3.27Å; N315-W317 HydrophobicContact CB-CD2 4.17Å; N315-W317 HydrophobicContact CB-CG 4.42Å; N315-W317 HydrophobicContact CB-CZ2 3.77Å; N315-W317 PolarHBondContact O-N 3.48Å; N315-W317 VanDerWaalsContact O-N 3.15Å
316	D	97.3	Very high	96.2	Very high	67 Å²	67	36.5 Å²	36.5	36%	0.358	21%	0.213	S	C	.	.			trans	-88.4	47.4	-177.2	-70.6	-47.5	0	0	0	113.1	L293 A294 E318 S344	L293-D316 CarbonylContact O-C 3.04Å; L293-D316 VanDerWaalsContact O-C 3.24Å; L293-D316 PolarHBondContact O-N 3.01Å; L293-D316 VanDerWaalsContact O-N 3.08Å; A294-D316 WeakPolarHBondContact CA-O 3.04Å; D316-E318 PolarHBondContact O-N 3.02Å; D316-S344 PolarHBondContact OD1-OG 2.94Å
317	W	97.3	Very high	96.2	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	20%	0.199	C	C	.	.			trans	-54.3	121.9	-172	-62.9	116.6	0	0	0	113	L293 L296 L312 N315 C319 L326 S344 S345 V354	L293-W317 HydrophobicContact CB-CH2 3.88Å; L293-W317 HydrophobicContact CB-CZ2 4.46Å; L293-W317 HydrophobicContact CB-CZ3 4.07Å; L293-W317 HydrophobicContact CD1-CH2 4.19Å; L293-W317 PolarHBondContact O-N 2.95Å; L296-W317 HydrophobicContact CD1-CH2 3.66Å; L296-W317 HydrophobicContact CD1-CZ3 4.08Å; L296-W317 HydrophobicContact CG-CH2 3.96Å; L296-W317 HydrophobicContact CG-CZ3 3.99Å; L312-W317 HydrophobicContact CB-CZ2 3.9Å; L312-W317 HydrophobicContact CD1-CZ2 4.47Å; L312-W317 HydrophobicContact CD2-CH2 4.18Å; L312-W317 HydrophobicContact CD2-CZ2 3.91Å; L312-W317 HydrophobicContact CG-CZ2 4.3Å; L312-W317 PolarHBondContact O-NE1 3.32Å; L312-W317 VanDerWaalsContact O-NE1 3.1Å; N315-W317 VanDerWaalsContact C-N 3.27Å; N315-W317 HydrophobicContact CB-CD2 4.17Å; N315-W317 HydrophobicContact CB-CG 4.42Å; N315-W317 HydrophobicContact CB-CZ2 3.77Å; N315-W317 PolarHBondContact O-N 3.48Å; N315-W317 VanDerWaalsContact O-N 3.15Å; W317-C319 PolarHBondContact O-N 3.44Å; W317-L326 HydrophobicContact CD2-CD2 4.08Å; W317-L326 HydrophobicContact CE3-CD2 3.7Å; W317-L326 HydrophobicContact CH2-CD2 3.82Å; W317-L326 HydrophobicContact CZ2-CD2 4.17Å; W317-L326 HydrophobicContact CZ3-CD2 3.56Å; W317-S344 PolarHBondContact O-N 2.8Å; W317-S345 PolarHBondContact O-N 3Å; W317-V354 HydrophobicContact CB-CG2 4.19Å; W317-V354 HydrophobicContact CG-CG2 4.31Å
318	E	96.9	Very high	96.1	Very high	66 Å²	66	37.6 Å²	37.6	31%	0.308	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-88.9	101.1	174.1	-172.1	-161.1	150.2	0	0	109.4	A294 D316 S320 S345	A294-E318 HydrophobicContact CB-CB 4.43Å; A294-E318 PolarHBondContact O-N 2.93Å; D316-E318 PolarHBondContact O-N 3.02Å; E318-S320 PolarHBondContact O-N 2.65Å; E318-S320 WeakPolarHBondContact OE1-CB 3Å; E318-S320 PolarHBondContact OE1-OG 3.43Å; E318-S345 WeakPolarHBondContact CA-OG 3.37Å; E318-S345 WeakPolarHBondContact CG-OG 3.38Å
319	C	96.1	Very high	96	Very high	3 Å²	3	34.7 Å²	34.7	2%	0.02	20%	0.203	C	C	.	.			trans	-80.3	60.5	179.6	-68.6	0	0	0	0	111.8	W317 C343 S345 A349 A357 L363	W317-C319 PolarHBondContact O-N 3.44Å; C319-C343 HydrophobicContact CB-CB 3.73Å; C319-C343 WeakPolarHBondContact CB-SG 3.13Å; C319-C343 WeakPolarHBondContact SG-CB 3.43Å; C319-C343 CovalentContact SG-SG 2.01Å; C319-C343 PolarHBondContact SG-SG 2.96Å; C319-S345 PolarHBondContact N-O 3.02Å; C319-A349 HydrophobicContact CB-CB 4.19Å; C319-A357 HydrophobicContact CB-CB 4.48Å; C319-L363 HydrophobicContact CB-CD1 4.35Å; C319-L363 VanDerWaalsContact O-CD1 3.24Å; C319-L363 WeakPolarHBondContact O-CD1 3.39Å
320	S	93.9	Very high	95.9	Very high	31 Å²	31	33.7 Å²	33.7	22%	0.217	20%	0.196	C	C	.	.	S	Bend	trans	-109	-159.7	167.3	73.7	0	0	0	0	109.6	E318 N322 V323	E318-S320 PolarHBondContact O-N 2.65Å; E318-S320 WeakPolarHBondContact OE1-CB 3Å; E318-S320 PolarHBondContact OE1-OG 3.43Å; S320-N322 PolarHBondContact O-N 3.03Å; S320-V323 WeakPolarHBondContact O-CG1 3.3Å; S320-V323 PolarHBondContact O-N 2.87Å
321	R	92.1	Very high	95.7	Very high	155 Å²	155	37.9 Å²	37.9	59%	0.585	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-63.6	-21.4	176.8	-157.3	172.6	-155.1	173.8	8.2	113.2	V323 C324	R321-V323 VanDerWaalsContact C-N 3.26Å; R321-V323 PolarHBondContact O-N 2.87Å; R321-C324 WeakPolarHBondContact O-CB 3.38Å; R321-C324 PolarHBondContact O-N 2.88Å; R321-C324 PolarHBondContact O-SG 2.84Å
322	N	91.8	Very high	95.6	Very high	89 Å²	89	40.3 Å²	40.3	48%	0.476	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-69	-23.6	-178.7	-65.5	-21.5	0	0	0	112.8	S320 C324	S320-N322 PolarHBondContact O-N 3.03Å; N322-C324 VanDerWaalsContact C-N 3.27Å; N322-C324 PolarHBondContact O-N 3.34Å
323	V	95.2	Very high	95.5	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.006	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-77.9	-12.1	179	86.8	0	0	0	0	113	S320 R321 A325 L326 A327 V354 V358 L363	S320-V323 WeakPolarHBondContact O-CG1 3.3Å; S320-V323 PolarHBondContact O-N 2.87Å; R321-V323 VanDerWaalsContact C-N 3.26Å; R321-V323 PolarHBondContact O-N 2.87Å; V323-A325 VanDerWaalsContact C-N 3.33Å; V323-A325 PolarHBondContact O-N 2.65Å; V323-L326 HydrophobicContact CG2-CB 4.48Å; V323-L326 HydrophobicContact CG2-CD2 4.34Å; V323-L326 WeakPolarHBondContact O-CB 3.26Å; V323-L326 PolarHBondContact O-N 3.31Å; V323-L326 VanDerWaalsContact O-N 3.11Å; V323-A327 WeakPolarHBondContact O-CB 3.48Å; V323-A327 PolarHBondContact O-N 3.23Å; V323-V354 HydrophobicContact CG1-CG1 4.49Å; V323-V354 HydrophobicContact CG2-CG1 3.55Å; V323-V358 HydrophobicContact CG1-CG2 3.64Å; V323-L363 HydrophobicContact CG1-CD1 4.43Å
324	C	95.1	Very high	95.4	Very high	26 Å²	26	52.1 Å²	52.1	18%	0.176	29%	0.288	C	S	.	.	H	α-helix	trans	-60.2	-38.3	-172.6	-69.4	0	0	0	0	114	R321 N322 A327 S328 C364	R321-C324 WeakPolarHBondContact O-CB 3.38Å; R321-C324 PolarHBondContact O-N 2.88Å; R321-C324 PolarHBondContact O-SG 2.84Å; N322-C324 VanDerWaalsContact C-N 3.27Å; N322-C324 PolarHBondContact O-N 3.34Å; C324-A327 PolarHBondContact O-N 2.84Å; C324-S328 VanDerWaalsContact O-CB 3.3Å; C324-S328 WeakPolarHBondContact O-CB 3.15Å; C324-S328 PolarHBondContact O-N 3.44Å; C324-C364 WeakPolarHBondContact CA-SG 3.46Å; C324-C364 HydrophobicContact CB-CB 3.9Å; C324-C364 WeakPolarHBondContact CB-SG 3.42Å; C324-C364 WeakPolarHBondContact SG-CA 3.39Å; C324-C364 WeakPolarHBondContact SG-CB 3.28Å; C324-C364 CovalentContact SG-SG 2.03Å; C324-C364 PolarHBondContact SG-SG 2.73Å
325	A	95	Very high	95.4	Very high	23 Å²	23	50.9 Å²	50.9	19%	0.19	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-48.7	175.8	0	0	0	0	0	110.8	Q298 L301 V323 S328 W329	Q298-A325 VanDerWaalsContact OE1-CB 3.27Å; L301-A325 HydrophobicContact CD1-CB 3.75Å; L301-A325 WeakPolarHBondContact CD1-O 3.25Å; V323-A325 VanDerWaalsContact C-N 3.33Å; V323-A325 PolarHBondContact O-N 2.65Å; A325-S328 PolarHBondContact O-N 3.27Å; A325-W329 WeakPolarHBondContact O-CB 3.32Å; A325-W329 PolarHBondContact O-N 3.29Å
326	L	96.5	Very high	95.3	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-63.5	-45.7	177.5	176.4	60.1	0	0	0	111.8	L296 L301 L312 W317 V323 S328 W329 L330	L296-L326 HydrophobicContact CD1-CD1 4.02Å; L296-L326 HydrophobicContact CD1-CD2 4.42Å; L301-L326 HydrophobicContact CD1-CB 4.44Å; L301-L326 HydrophobicContact CD2-CD1 4.03Å; L312-L326 HydrophobicContact CD1-CD1 3.96Å; W317-L326 HydrophobicContact CD2-CD2 4.08Å; W317-L326 HydrophobicContact CE3-CD2 3.7Å; W317-L326 HydrophobicContact CH2-CD2 3.82Å; W317-L326 HydrophobicContact CZ2-CD2 4.17Å; W317-L326 HydrophobicContact CZ3-CD2 3.56Å; V323-L326 HydrophobicContact CG2-CB 4.48Å; V323-L326 HydrophobicContact CG2-CD2 4.34Å; V323-L326 WeakPolarHBondContact O-CB 3.26Å; V323-L326 PolarHBondContact O-N 3.31Å; V323-L326 VanDerWaalsContact O-N 3.11Å; L326-S328 PolarHBondContact O-N 3.11Å; L326-W329 PolarHBondContact O-N 2.96Å; L326-L330 HydrophobicContact CD1-CD1 3.92Å; L326-L330 HydrophobicContact CD1-CD2 4.5Å; L326-L330 HydrophobicContact CD1-CG 3.91Å; L326-L330 HydrophobicContact CD2-CD1 4.43Å; L326-L330 HydrophobicContact CG-CD1 3.77Å; L326-L330 HydrophobicContact CG-CG 4.24Å; L326-L330 WeakPolarHBondContact O-CB 3.29Å; L326-L330 VanDerWaalsContact O-CG 3.26Å; L326-L330 WeakPolarHBondContact O-CG 3.46Å; L326-L330 PolarHBondContact O-N 3.38Å
327	A	95.6	Very high	95.2	Very high	5 Å²	5	58.7 Å²	58.7	4%	0.041	31%	0.305	C	S	.	.	H	α-helix	trans	-61.8	-43.6	179.5	0	0	0	0	0	112.1	V323 C324 L330 S331 L355 V358	V323-A327 WeakPolarHBondContact O-CB 3.48Å; V323-A327 PolarHBondContact O-N 3.23Å; C324-A327 PolarHBondContact O-N 2.84Å; A327-L330 PolarHBondContact O-N 3.05Å; A327-S331 WeakPolarHBondContact O-CB 3.1Å; A327-S331 PolarHBondContact O-N 2.86Å; A327-L355 HydrophobicContact CB-CD2 4.04Å; A327-V358 HydrophobicContact CB-CB 4.49Å; A327-V358 HydrophobicContact CB-CG2 3.82Å
328	S	95.1	Very high	94.9	Very high	78 Å²	78	60.5 Å²	60.5	55%	0.545	31%	0.314	S	S	.	.	H	α-helix	trans	-58.7	-49.1	173.8	-177.6	0	0	0	0	111	C324 A325 L326 L330 S331 A332	C324-S328 VanDerWaalsContact O-CB 3.3Å; C324-S328 WeakPolarHBondContact O-CB 3.15Å; C324-S328 PolarHBondContact O-N 3.44Å; A325-S328 PolarHBondContact O-N 3.27Å; L326-S328 PolarHBondContact O-N 3.11Å; S328-L330 PolarHBondContact O-N 3Å; S328-S331 PolarHBondContact O-N 2.98Å; S328-S331 PolarHBondContact O-OG 3.01Å; S328-A332 PolarHBondContact O-N 2.99Å
329	W	96.4	Very high	94.2	Very high	37 Å²	37	63.2 Å²	63.2	14%	0.14	34%	0.341	C	S	.	.	H	α-helix	trans	-60.5	-46.3	177.8	-174.2	94	0	0	0	112.4	L301 W304 L307 I310 A325 L326 S331 A332 F333	L301-W329 HydrophobicContact CB-CB 4.38Å; L301-W329 HydrophobicContact CB-CG 4.09Å; L301-W329 HydrophobicContact CD1-CB 4.16Å; L301-W329 HydrophobicContact CD2-CB 4.33Å; L301-W329 HydrophobicContact CD2-CD2 4.29Å; L301-W329 HydrophobicContact CD2-CG 4.13Å; L301-W329 PolarHBondContact O-NE1 3.09Å; L301-W329 VanDerWaalsContact O-NE1 3.16Å; W304-W329 HydrophobicContact CB-CZ2 3.83Å; W304-W329 HydrophobicContact CE3-CH2 4.09Å; W304-W329 AromaticContact CE3-CZ2 3.92Å; W304-W329 HydrophobicContact CE3-CZ2 3.92Å; W304-W329 HydrophobicContact CE3-CZ3 4.47Å; L307-W329 HydrophobicContact CD1-CH2 4.38Å; L307-W329 HydrophobicContact CD1-CZ2 4.4Å; I310-W329 HydrophobicContact CD1-CH2 3.84Å; I310-W329 HydrophobicContact CD1-CZ3 4.04Å; I310-W329 HydrophobicContact CG2-CH2 4.04Å; I310-W329 HydrophobicContact CG2-CZ3 4.09Å; A325-W329 WeakPolarHBondContact O-CB 3.32Å; A325-W329 PolarHBondContact O-N 3.29Å; L326-W329 PolarHBondContact O-N 2.96Å; W329-S331 VanDerWaalsContact C-N 3.29Å; W329-S331 PolarHBondContact O-N 2.95Å; W329-A332 PolarHBondContact O-N 3.02Å; W329-A332 VanDerWaalsContact O-N 3.13Å; W329-F333 HydrophobicContact CE3-CB 4.19Å; W329-F333 HydrophobicContact CH2-CB 4.18Å; W329-F333 HydrophobicContact CH2-CD1 4.2Å; W329-F333 AromaticContact CH2-CD2 3.39Å; W329-F333 HydrophobicContact CH2-CD2 3.39Å; W329-F333 HydrophobicContact CH2-CE1 4.45Å; W329-F333 AromaticContact CH2-CE2 3.72Å; W329-F333 HydrophobicContact CH2-CE2 3.72Å; W329-F333 AromaticContact CH2-CG 3.66Å; W329-F333 HydrophobicContact CH2-CG 3.66Å; W329-F333 HydrophobicContact CH2-CZ 4.23Å; W329-F333 AromaticContact CZ2-CD2 3.61Å; W329-F333 HydrophobicContact CZ2-CD2 3.61Å; W329-F333 HydrophobicContact CZ2-CE2 4.02Å; W329-F333 HydrophobicContact CZ2-CG 4.22Å; W329-F333 HydrophobicContact CZ3-CB 3.98Å; W329-F333 HydrophobicContact CZ3-CD1 4.26Å; W329-F333 HydrophobicContact CZ3-CD2 4.06Å; W329-F333 AromaticContact CZ3-CG 3.84Å; W329-F333 HydrophobicContact CZ3-CG 3.84Å; W329-F333 WeakPolarHBondContact O-CB 3.27Å; W329-F333 PolarHBondContact O-N 3.46Å
330	L	95.4	Very high	93.8	Very high	4 Å²	4	65.6 Å²	65.6	2%	0.021	36%	0.357	C	S	.	.	H	α-helix	trans	-61.4	-35.8	178.4	-75	169.7	0	0	0	112.8	L312 L326 A327 S328 A332 L341 L355	L312-L330 HydrophobicContact CD1-CD2 4.4Å; L326-L330 HydrophobicContact CD1-CD1 3.92Å; L326-L330 HydrophobicContact CD1-CD2 4.5Å; L326-L330 HydrophobicContact CD1-CG 3.91Å; L326-L330 HydrophobicContact CD2-CD1 4.43Å; L326-L330 HydrophobicContact CG-CD1 3.77Å; L326-L330 HydrophobicContact CG-CG 4.24Å; L326-L330 WeakPolarHBondContact O-CB 3.29Å; L326-L330 VanDerWaalsContact O-CG 3.26Å; L326-L330 WeakPolarHBondContact O-CG 3.46Å; L326-L330 PolarHBondContact O-N 3.38Å; A327-L330 PolarHBondContact O-N 3.05Å; S328-L330 PolarHBondContact O-N 3Å; L330-A332 VanDerWaalsContact C-N 3.32Å; L330-L341 HydrophobicContact CD1-CD2 3.87Å; L330-L355 HydrophobicContact CB-CD2 4.18Å
331	S	93.9	Very high	93.9	Very high	89 Å²	89	64.2 Å²	64.2	62%	0.622	35%	0.347	S	S	*	.	H	α-helix	trans	-68.6	-31.3	177.1	77.8	0	0	0	0	112.8	A327 S328 W329	A327-S331 WeakPolarHBondContact O-CB 3.1Å; A327-S331 PolarHBondContact O-N 2.86Å; S328-S331 PolarHBondContact O-N 2.98Å; S328-S331 PolarHBondContact O-OG 3.01Å; W329-S331 VanDerWaalsContact C-N 3.29Å; W329-S331 PolarHBondContact O-N 2.95Å
332	A	95.4	Very high	94.1	Very high	74 Å²	74	60.9 Å²	60.9	61%	0.612	34%	0.341	S	S	*	.	H	α-helix	trans	-86.6	-24.2	178.3	0	0	0	0	0	112.8	S328 W329 L330 R334	S328-A332 PolarHBondContact O-N 2.99Å; W329-A332 PolarHBondContact O-N 3.02Å; W329-A332 VanDerWaalsContact O-N 3.13Å; L330-A332 VanDerWaalsContact C-N 3.32Å; A332-R334 PolarHBondContact O-N 3.28Å
333	F	96.4	Very high	94.3	Very high	32 Å²	32	56.8 Å²	56.8	14%	0.14	32%	0.319	C	S	.	.			trans	-67.1	124.6	-176.7	-173.6	-111	0	0	0	112.1	L307 I310 W329 G335 R337	L307-F333 HydrophobicContact CB-CE2 3.92Å; L307-F333 HydrophobicContact CB-CZ 4.26Å; L307-F333 VanDerWaalsContact O-CE2 3.29Å; L307-F333 WeakPolarHBondContact O-CE2 3.04Å; I310-F333 HydrophobicContact CG2-CD1 4.21Å; I310-F333 HydrophobicContact CG2-CE1 3.67Å; I310-F333 HydrophobicContact CG2-CZ 4.05Å; W329-F333 HydrophobicContact CE3-CB 4.19Å; W329-F333 HydrophobicContact CH2-CB 4.18Å; W329-F333 HydrophobicContact CH2-CD1 4.2Å; W329-F333 AromaticContact CH2-CD2 3.39Å; W329-F333 HydrophobicContact CH2-CD2 3.39Å; W329-F333 HydrophobicContact CH2-CE1 4.45Å; W329-F333 AromaticContact CH2-CE2 3.72Å; W329-F333 HydrophobicContact CH2-CE2 3.72Å; W329-F333 AromaticContact CH2-CG 3.66Å; W329-F333 HydrophobicContact CH2-CG 3.66Å; W329-F333 HydrophobicContact CH2-CZ 4.23Å; W329-F333 AromaticContact CZ2-CD2 3.61Å; W329-F333 HydrophobicContact CZ2-CD2 3.61Å; W329-F333 HydrophobicContact CZ2-CE2 4.02Å; W329-F333 HydrophobicContact CZ2-CG 4.22Å; W329-F333 HydrophobicContact CZ3-CB 3.98Å; W329-F333 HydrophobicContact CZ3-CD1 4.26Å; W329-F333 HydrophobicContact CZ3-CD2 4.06Å; W329-F333 AromaticContact CZ3-CG 3.84Å; W329-F333 HydrophobicContact CZ3-CG 3.84Å; W329-F333 WeakPolarHBondContact O-CB 3.27Å; W329-F333 PolarHBondContact O-N 3.46Å; F333-G335 VanDerWaalsContact CE1-C 3.46Å; F333-G335 VanDerWaalsContact CE1-CA 3.42Å; F333-R337 HydrophobicContact CD1-CB 4.4Å; F333-R337 HydrophobicContact CE1-CB 4.31Å
334	R	94.9	Very high	94.4	Very high	246 Å²	246	58.6 Å²	58.6	93%	0.928	33%	0.332	S	S	*	.			trans	-104	-0.6	-178	-62.3	-172.6	179.9	-173.7	-0.1	114.3	A332	A332-R334 PolarHBondContact O-N 3.28Å
335	G	95.1	Very high	94.4	Very high	31 Å²	31	59.3 Å²	59.3	32%	0.32	34%	0.337	S	S	.	.	S	Bend	trans	-80.2	-172	-179.5	0	0	0	0	0	113.4	D308 F333	D308-G335 CarbonylContact O-C 3.1Å; D308-G335 WeakPolarHBondContact O-CA 3.36Å; F333-G335 VanDerWaalsContact CE1-C 3.46Å; F333-G335 VanDerWaalsContact CE1-CA 3.42Å
336	Q	96.3	Very high	94.5	Very high	149 Å²	149	61 Å²	61	70%	0.696	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.5	126.8	173.5	-64	-170.9	-26.3	0	0	109.9	D308 S309 I310	D308-Q336 PolarHBondContact O-N 3.23Å; S309-Q336 CarbonylContact C-O 3.48Å; S309-Q336 VanDerWaalsContact CA-O 3.23Å; S309-Q336 WeakPolarHBondContact CA-O 3.21Å; I310-Q336 PolarHBondContact N-O 3.05Å
337	R	94.5	Very high	94.3	Very high	92 Å²	92	67.6 Å²	67.6	35%	0.347	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	167.5	173.8	67.5	175	-175.9	106.8	-2.6	111.5	I310 F333 L355	I310-R337 HydrophobicContact CG2-CB 3.98Å; I310-R337 VanDerWaalsContact O-CA 3.3Å; I310-R337 WeakPolarHBondContact O-CA 3.5Å; F333-R337 HydrophobicContact CD1-CB 4.4Å; F333-R337 HydrophobicContact CE1-CB 4.31Å; R337-L355 VanDerWaalsContact NH2-CD1 3.35Å
338	D	91.2	Very high	94.2	Very high	38 Å²	38	72.6 Å²	72.6	20%	0.203	41%	0.412	C	S	.	.			trans	-55.7	150.6	172.9	-63.4	-48.1	0	0	0	112	T311 L312 A313 S340 L341	T311-D338 WeakPolarHBondContact CA-OD2 3.21Å; T311-D338 WeakPolarHBondContact CB-OD2 3.3Å; T311-D338 WeakPolarHBondContact CG2-OD1 3.38Å; L312-D338 PolarHBondContact N-OD2 3.47Å; A313-D338 HydrophobicContact CB-CB 4.01Å; A313-D338 WeakPolarHBondContact CB-OD2 3.5Å; A313-D338 PolarHBondContact N-OD2 3.5Å; D338-S340 VanDerWaalsContact C-N 3.31Å; D338-S340 PolarHBondContact O-N 3.19Å; D338-L341 HydrophobicContact CB-CD1 3.99Å
339	S	82.3	Confident	94.1	Very high	124 Å²	124	69 Å²	69	87%	0.867	39%	0.386	S	S	*	.	S	Bend	trans	-71.1	-24.7	-178.8	53.2	0	0	0	0	114
340	S	88.1	Confident	94.1	Very high	52 Å²	52	72.8 Å²	72.8	36%	0.364	41%	0.406	S	S	.	.			trans	-152.2	126	-178.2	55.7	0	0	0	0	110.3	D338 D353	D338-S340 VanDerWaalsContact C-N 3.31Å; D338-S340 PolarHBondContact O-N 3.19Å; S340-D353 WeakPolarHBondContact CA-OD2 3.3Å
341	L	94.7	Very high	94	Very high	2 Å²	2	74.8 Å²	74.8	1%	0.01	43%	0.427	C	S	.	.			trans	-109	112.1	169.2	-97.2	76	0	0	0	107.2	L312 L330 D338 D353 V354	L312-L341 HydrophobicContact CB-CD1 4.23Å; L312-L341 HydrophobicContact CB-CD2 3.75Å; L312-L341 HydrophobicContact CB-CG 4.15Å; L312-L341 HydrophobicContact CD1-CD2 4.11Å; L330-L341 HydrophobicContact CD1-CD2 3.87Å; D338-L341 HydrophobicContact CB-CD1 3.99Å; L341-D353 PolarHBondContact N-OD2 3.3Å; L341-D353 CarbonylContact O-C 3.5Å; L341-D353 VanDerWaalsContact O-CA 3.25Å; L341-D353 WeakPolarHBondContact O-CA 3.49Å; L341-V354 HydrophobicContact CB-CB 4.32Å; L341-V354 HydrophobicContact CB-CG2 4.01Å; L341-V354 WeakPolarHBondContact O-CG2 3.26Å; L341-V354 PolarHBondContact O-N 3.32Å
342	L	96.6	Very high	94.1	Very high	85 Å²	85	75.4 Å²	75.4	45%	0.445	42%	0.42	S	S	.	.	B	Isolated β-bridge	trans	-93.5	141.7	-175.1	-53.3	-179.5	0	0	0	111.5	E352	L342-E352 CarbonylContact C-O 3.13Å; L342-E352 VanDerWaalsContact CA-O 3.32Å; L342-E352 WeakPolarHBondContact CA-O 3.37Å
343	C	97.1	Very high	94.1	Very high	4 Å²	4	73.1 Å²	73.1	3%	0.027	40%	0.398	C	S	.	.			trans	-69.6	134.5	168.8	-61.9	0	0	0	0	110.5	C319 A349 Q350 G351 E352 A357	C319-C343 HydrophobicContact CB-CB 3.73Å; C319-C343 WeakPolarHBondContact CB-SG 3.13Å; C319-C343 WeakPolarHBondContact SG-CB 3.43Å; C319-C343 CovalentContact SG-SG 2.01Å; C319-C343 PolarHBondContact SG-SG 2.96Å; C343-A349 HydrophobicContact CB-CB 4.29Å; C343-A349 WeakPolarHBondContact CB-O 3.39Å; C343-Q350 WeakPolarHBondContact O-CA 3.49Å; C343-G351 PolarHBondContact O-N 3.43Å; C343-E352 PolarHBondContact N-O 3.34Å; C343-A357 VanDerWaalsContact SG-CB 3.6Å
344	S	97.1	Very high	94	Very high	38 Å²	38	71.6 Å²	71.6	27%	0.266	39%	0.391	S	S	.	.			trans	-95.6	-33.1	173.2	-169.6	0	0	0	0	111.5	D316 W317 Q350	D316-S344 PolarHBondContact OD1-OG 2.94Å; W317-S344 PolarHBondContact O-N 2.8Å; S344-Q350 WeakPolarHBondContact O-CG 3.15Å
345	S	95.2	Very high	94	Very high	42 Å²	42	61.9 Å²	61.9	29%	0.294	36%	0.357	S	S	.	.	B	Isolated β-bridge	trans	-144	161.3	178.6	61.6	0	0	0	0	111.3	W317 E318 C319	W317-S345 PolarHBondContact O-N 3Å; E318-S345 WeakPolarHBondContact CA-OG 3.37Å; E318-S345 WeakPolarHBondContact CG-OG 3.38Å; C319-S345 PolarHBondContact N-O 3.02Å
346	P	95.6	Very high	94	Very high	57 Å²	57	65.1 Å²	65.1	37%	0.37	37%	0.368	S	S	.	.	S	Bend	cis	-70.1	170.4	-11.9	31.7	-36.1	0	0	0	112.4	T348 A349 Q350	P346-T348 PolarHBondContact O-N 2.94Å; P346-A349 PolarHBondContact O-N 3.14Å; P346-Q350 PolarHBondContact O-N 3.42Å; P346-Q350 VanDerWaalsContact O-N 3.13Å
347	D	94	Very high	93.9	Very high	141 Å²	141	58 Å²	58	75%	0.754	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-27.7	-178.5	-61.6	-17.3	0	0	0	113.8	A349	D347-A349 VanDerWaalsContact C-N 3.32Å; D347-A349 PolarHBondContact O-N 3.19Å
348	T	92.9	Very high	93.9	Very high	110 Å²	110	54.8 Å²	54.8	68%	0.675	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-24.8	178.5	55.9	0	0	0	0	114	P346 F361	P346-T348 PolarHBondContact O-N 2.94Å; T348-F361 WeakPolarHBondContact O-CZ 3.33Å
349	A	93.4	Very high	93.9	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.008	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-2.6	-179.4	0	0	0	0	0	112.2	C319 C343 P346 D347 G351 E352 A357 F361	C319-A349 HydrophobicContact CB-CB 4.19Å; C343-A349 HydrophobicContact CB-CB 4.29Å; C343-A349 WeakPolarHBondContact CB-O 3.39Å; P346-A349 PolarHBondContact O-N 3.14Å; D347-A349 VanDerWaalsContact C-N 3.32Å; D347-A349 PolarHBondContact O-N 3.19Å; A349-G351 PolarHBondContact O-N 3.19Å; A349-E352 WeakPolarHBondContact O-CB 3.24Å; A349-E352 PolarHBondContact O-N 3.23Å; A349-E352 VanDerWaalsContact O-N 3.09Å; A349-A357 HydrophobicContact CB-CB 4.49Å; A349-F361 HydrophobicContact CB-CD2 4.21Å; A349-F361 HydrophobicContact CB-CE2 3.64Å; A349-F361 HydrophobicContact CB-CZ 4.32Å
350	Q	95.3	Very high	94.4	Very high	118 Å²	118	60.2 Å²	60.2	55%	0.551	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	127.4	-173.8	-173.1	177.6	27.2	0	0	111.7	C343 S344 P346 E352	C343-Q350 WeakPolarHBondContact O-CA 3.49Å; S344-Q350 WeakPolarHBondContact O-CG 3.15Å; P346-Q350 PolarHBondContact O-N 3.42Å; P346-Q350 VanDerWaalsContact O-N 3.13Å; Q350-E352 VanDerWaalsContact C-N 3.3Å
351	G	94.1	Very high	94.5	Very high	46 Å²	46	62.2 Å²	62.2	47%	0.474	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.9	-5.5	-179.2	0	0	0	0	0	115.3	C343 A349	C343-G351 PolarHBondContact O-N 3.43Å; A349-G351 PolarHBondContact O-N 3.19Å
352	E	95.1	Very high	94.4	Very high	101 Å²	101	68.6 Å²	68.6	47%	0.472	37%	0.372	S	S	.	.	S	Bend	trans	-77.2	152.1	169.3	-65.4	-65.5	158.7	0	0	110.8	L342 C343 A349 Q350 A357	L342-E352 CarbonylContact C-O 3.13Å; L342-E352 VanDerWaalsContact CA-O 3.32Å; L342-E352 WeakPolarHBondContact CA-O 3.37Å; C343-E352 PolarHBondContact N-O 3.34Å; A349-E352 WeakPolarHBondContact O-CB 3.24Å; A349-E352 PolarHBondContact O-N 3.23Å; A349-E352 VanDerWaalsContact O-N 3.09Å; Q350-E352 VanDerWaalsContact C-N 3.3Å; E352-A357 HydrophobicContact CB-CB 4.25Å
353	D	96	Very high	94.1	Very high	26 Å²	26	66.5 Å²	66.5	14%	0.139	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-67.9	140	171.2	-171.7	-87	0	0	0	110.1	S340 L341 L355 D356 A357	S340-D353 WeakPolarHBondContact CA-OD2 3.3Å; L341-D353 PolarHBondContact N-OD2 3.3Å; L341-D353 CarbonylContact O-C 3.5Å; L341-D353 VanDerWaalsContact O-CA 3.25Å; L341-D353 WeakPolarHBondContact O-CA 3.49Å; D353-L355 VanDerWaalsContact C-N 3.26Å; D353-L355 PolarHBondContact O-N 3.14Å; D353-L355 PolarHBondContact OD1-N 3.07Å; D353-D356 HydrophobicContact CB-CB 4.24Å; D353-D356 PolarHBondContact O-N 3.17Å; D353-D356 VanDerWaalsContact O-N 3.1Å; D353-A357 WeakPolarHBondContact O-CB 3.29Å; D353-A357 PolarHBondContact O-N 2.97Å
354	V	95.6	Very high	93.7	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	38%	0.377	C	S	.	.	H	α-helix	trans	-53.8	-41.8	-177.6	166.9	0	0	0	0	111.9	W317 V323 L341 V358	W317-V354 HydrophobicContact CB-CG2 4.19Å; W317-V354 HydrophobicContact CG-CG2 4.31Å; V323-V354 HydrophobicContact CG1-CG1 4.49Å; V323-V354 HydrophobicContact CG2-CG1 3.55Å; L341-V354 HydrophobicContact CB-CB 4.32Å; L341-V354 HydrophobicContact CB-CG2 4.01Å; L341-V354 WeakPolarHBondContact O-CG2 3.26Å; L341-V354 PolarHBondContact O-N 3.32Å; V354-V358 VanDerWaalsContact O-CG2 3.29Å; V354-V358 WeakPolarHBondContact O-CG2 3.29Å; V354-V358 PolarHBondContact O-N 3.41Å; V354-V358 VanDerWaalsContact O-N 3.12Å
355	L	94.6	Very high	93.2	Very high	42 Å²	42	71.1 Å²	71.1	22%	0.22	39%	0.386	C	S	.	.	H	α-helix	trans	-71.9	-38.5	-179.3	-65.6	178.2	0	0	0	111.7	A327 L330 R337 D353 V358 Y359	A327-L355 HydrophobicContact CB-CD2 4.04Å; L330-L355 HydrophobicContact CB-CD2 4.18Å; R337-L355 VanDerWaalsContact NH2-CD1 3.35Å; D353-L355 VanDerWaalsContact C-N 3.26Å; D353-L355 PolarHBondContact O-N 3.14Å; D353-L355 PolarHBondContact OD1-N 3.07Å; L355-V358 PolarHBondContact O-N 3.28Å; L355-Y359 PolarHBondContact O-N 3.4Å
356	D	94.6	Very high	91.6	Very high	100 Å²	100	74.5 Å²	74.5	54%	0.535	41%	0.41	S	S	.	.	H	α-helix	trans	-68.2	-41.8	178	-68.3	-22.1	0	0	0	110.8	D353 V358 Y359 A360	D353-D356 HydrophobicContact CB-CB 4.24Å; D353-D356 PolarHBondContact O-N 3.17Å; D353-D356 VanDerWaalsContact O-N 3.1Å; D356-V358 PolarHBondContact O-N 3.04Å; D356-Y359 PolarHBondContact O-N 3.08Å; D356-A360 VanDerWaalsContact O-CB 3.24Å; D356-A360 WeakPolarHBondContact O-CB 3.33Å; D356-A360 PolarHBondContact O-N 3.39Å
357	A	94.4	Very high	89.4	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	43%	0.425	C	S	.	.	H	α-helix	trans	-61.4	-43.1	175.5	0	0	0	0	0	112.1	C319 C343 A349 E352 D353 Y359 A360 F361	C319-A357 HydrophobicContact CB-CB 4.48Å; C343-A357 VanDerWaalsContact SG-CB 3.6Å; A349-A357 HydrophobicContact CB-CB 4.49Å; E352-A357 HydrophobicContact CB-CB 4.25Å; D353-A357 WeakPolarHBondContact O-CB 3.29Å; D353-A357 PolarHBondContact O-N 2.97Å; A357-Y359 VanDerWaalsContact C-N 3.29Å; A357-Y359 PolarHBondContact O-N 3.02Å; A357-A360 PolarHBondContact O-N 3.02Å; A357-F361 HydrophobicContact CB-CD2 4.02Å; A357-F361 HydrophobicContact CB-CE2 4.17Å; A357-F361 WeakPolarHBondContact O-CB 3.3Å; A357-F361 WeakPolarHBondContact O-CD2 3.32Å; A357-F361 PolarHBondContact O-N 3.21Å
358	V	94.3	Very high	86.9	Confident	24 Å²	24	73 Å²	73	15%	0.145	42%	0.416	C	S	.	.	H	α-helix	trans	-59.6	-41.4	176.8	165.2	0	0	0	0	111.7	V323 A327 V354 L355 D356 Q362 L363 C364	V323-V358 HydrophobicContact CG1-CG2 3.64Å; A327-V358 HydrophobicContact CB-CB 4.49Å; A327-V358 HydrophobicContact CB-CG2 3.82Å; V354-V358 VanDerWaalsContact O-CG2 3.29Å; V354-V358 WeakPolarHBondContact O-CG2 3.29Å; V354-V358 PolarHBondContact O-N 3.41Å; V354-V358 VanDerWaalsContact O-N 3.12Å; L355-V358 PolarHBondContact O-N 3.28Å; D356-V358 PolarHBondContact O-N 3.04Å; V358-Q362 WeakPolarHBondContact O-CA 3.38Å; V358-Q362 PolarHBondContact O-N 3.44Å; V358-L363 HydrophobicContact CG2-CD1 4.12Å; V358-L363 PolarHBondContact O-N 3.4Å; V358-C364 HydrophobicContact CG1-CB 4.11Å; V358-C364 WeakPolarHBondContact CG1-SG 3.4Å
359	Y	92.1	Very high	84.2	Confident	203 Å²	203	76.2 Å²	76.2	80%	0.796	42%	0.423	S	S	*	.	H	α-helix	trans	-73	-48.1	178.2	-177.8	-96.1	0	0	0	112.2	L355 D356 A357 F361 Q362	L355-Y359 PolarHBondContact O-N 3.4Å; D356-Y359 PolarHBondContact O-N 3.08Å; A357-Y359 VanDerWaalsContact C-N 3.29Å; A357-Y359 PolarHBondContact O-N 3.02Å; Y359-F361 PolarHBondContact O-N 3.01Å; Y359-Q362 PolarHBondContact O-N 2.93Å
360	A	91.3	Very high	81.5	Confident	72 Å²	72	82.2 Å²	82.2	60%	0.595	46%	0.459	S	S	*	.	H	α-helix	trans	-65.5	-39.3	-175.9	0	0	0	0	0	112.9	D356 A357	D356-A360 VanDerWaalsContact O-CB 3.24Å; D356-A360 WeakPolarHBondContact O-CB 3.33Å; D356-A360 PolarHBondContact O-N 3.39Å; A357-A360 PolarHBondContact O-N 3.02Å
361	F	91.2	Very high	78.6	Confident	95 Å²	95	82.5 Å²	82.5	42%	0.417	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	4.2	-179	-57.5	-66.6	0	0	0	113.7	T348 A349 A357 Y359 L363	T348-F361 WeakPolarHBondContact O-CZ 3.33Å; A349-F361 HydrophobicContact CB-CD2 4.21Å; A349-F361 HydrophobicContact CB-CE2 3.64Å; A349-F361 HydrophobicContact CB-CZ 4.32Å; A357-F361 HydrophobicContact CB-CD2 4.02Å; A357-F361 HydrophobicContact CB-CE2 4.17Å; A357-F361 WeakPolarHBondContact O-CB 3.3Å; A357-F361 WeakPolarHBondContact O-CD2 3.32Å; A357-F361 PolarHBondContact O-N 3.21Å; Y359-F361 PolarHBondContact O-N 3.01Å; F361-L363 HydrophobicContact CB-CD2 3.66Å; F361-L363 HydrophobicContact CB-CG 3.86Å; F361-L363 PolarHBondContact O-N 3.4Å; F361-L363 VanDerWaalsContact O-N 3.15Å
362	Q	91.1	Very high	75.8	Confident	136 Å²	136	86.4 Å²	86.4	64%	0.636	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	37.5	-179.4	-62.6	179.6	-23.9	0	0	113.2	V358 Y359 C364 D365	V358-Q362 WeakPolarHBondContact O-CA 3.38Å; V358-Q362 PolarHBondContact O-N 3.44Å; Y359-Q362 PolarHBondContact O-N 2.93Å; Q362-C364 PolarHBondContact O-N 2.02Å; Q362-C364 VanDerWaalsContact O-N 3.16Å; Q362-D365 PolarHBondContact O-N 3.32Å
363	L	90.8	Very high	72.8	Confident	40 Å²	40	86.3 Å²	86.3	21%	0.209	50%	0.5	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-30.4	-170.2	-61	178.9	0	0	0	113.4	C319 V323 V358 F361	C319-L363 HydrophobicContact CB-CD1 4.35Å; C319-L363 VanDerWaalsContact O-CD1 3.24Å; C319-L363 WeakPolarHBondContact O-CD1 3.39Å; V323-L363 HydrophobicContact CG1-CD1 4.43Å; V358-L363 HydrophobicContact CG2-CD1 4.12Å; V358-L363 PolarHBondContact O-N 3.4Å; F361-L363 HydrophobicContact CB-CD2 3.66Å; F361-L363 HydrophobicContact CB-CG 3.86Å; F361-L363 PolarHBondContact O-N 3.4Å; F361-L363 VanDerWaalsContact O-N 3.15Å
364	C	90.3	Very high	69.8	Low	52 Å²	52	88.4 Å²	88.4	35%	0.351	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.3	6.9	-171.6	-52	0	0	0	0	113.5	C324 V358 Q362	C324-C364 WeakPolarHBondContact CA-SG 3.46Å; C324-C364 HydrophobicContact CB-CB 3.9Å; C324-C364 WeakPolarHBondContact CB-SG 3.42Å; C324-C364 WeakPolarHBondContact SG-CA 3.39Å; C324-C364 WeakPolarHBondContact SG-CB 3.28Å; C324-C364 CovalentContact SG-SG 2.03Å; C324-C364 PolarHBondContact SG-SG 2.73Å; V358-C364 HydrophobicContact CG1-CB 4.11Å; V358-C364 WeakPolarHBondContact CG1-SG 3.4Å; Q362-C364 PolarHBondContact O-N 2.02Å; Q362-C364 VanDerWaalsContact O-N 3.16Å
365	D	84.9	Confident	66.8	Low	88 Å²	88	95.4 Å²	95.4	47%	0.471	57%	0.565	S	S	.	*			trans	-69.6	132.9	173.2	-101.8	-25.1	0	0	0	110.3	Q362 S367	Q362-D365 PolarHBondContact O-N 3.32Å; D365-S367 PolarHBondContact O-N 3.23Å
366	S	61.7	Low	63.7	Low	112 Å²	112	104.6 Å²	104.6	78%	0.783	60%	0.598	S	S	*	*	S	Bend	trans	-81.6	8.1	-178.4	45.8	0	0	0	0	113.3	A368	S366-A368 PolarHBondContact O-N 2.9Å
367	S	49.2	Very low	60.5	Low	100 Å²	100	105.9 Å²	105.9	70%	0.699	61%	0.61	S	S	*	*			trans	-94.4	48.2	179.4	63.4	0	0	0	0	113.6	D365	D365-S367 PolarHBondContact O-N 3.23Å
368	A	42.5	Very low	57.3	Low	67 Å²	67	111.2 Å²	111.2	55%	0.554	65%	0.647	S	S	*	*			trans	-91.5	94.7	156.1	0	0	0	0	0	107.1	S366 V370	S366-A368 PolarHBondContact O-N 2.9Å; A368-V370 PolarHBondContact O-N 3.47Å; A368-V370 VanDerWaalsContact O-N 3.11Å
369	E	36.4	Very low	54.2	Low	178 Å²	178	116.1 Å²	116.1	83%	0.832	68%	0.678	S	S	*	*			trans	-49.5	120.3	161.7	-78.3	-175.7	158.6	0	0	108.2	T371	E369-T371 PolarHBondContact O-N 3.38Å
370	V	36.7	Very low	51.1	Low	127 Å²	127	117.9 Å²	117.9	77%	0.77	68%	0.683	S	S	*	*			trans	-63.7	90	164	178.3	0	0	0	0	106	A368 T372	A368-V370 PolarHBondContact O-N 3.47Å; A368-V370 VanDerWaalsContact O-N 3.11Å; V370-T372 HydrophobicContact CG1-CG2 4.33Å; V370-T372 PolarHBondContact O-N 3.17Å
371	T	33.1	Very low	48.1	Very low	123 Å²	123	121.9 Å²	121.9	76%	0.755	69%	0.694	S	S	*	*			trans	-64.5	98.8	156.8	41.4	0	0	0	0	106.3	E369 A373	E369-T371 PolarHBondContact O-N 3.38Å; T371-A373 PolarHBondContact O-N 3.1Å
372	T	36.6	Very low	45.1	Very low	128 Å²	128	126.1 Å²	126.1	79%	0.785	72%	0.72	S	S	*	*			trans	-52.5	88	161.7	44.4	0	0	0	0	109.3	V370 G374	V370-T372 HydrophobicContact CG1-CG2 4.33Å; V370-T372 PolarHBondContact O-N 3.17Å; T372-G374 PolarHBondContact O-N 3.45Å
373	A	32.4	Very low	42.1	Very low	99 Å²	99	123.8 Å²	123.8	82%	0.818	72%	0.724	S	S	*	*			trans	-79.9	96.2	155.7	0	0	0	0	0	106.4	T371	T371-A373 PolarHBondContact O-N 3.1Å
374	G	32.3	Very low	39.2	Very low	70 Å²	70	132.2 Å²	132.2	72%	0.722	76%	0.759	S	S	*	*			trans	-55.3	137.3	178.5	0	0	0	0	0	112.1	T372 Y376	T372-G374 PolarHBondContact O-N 3.45Å; G374-Y376 PolarHBondContact O-N 2.63Å
375	L	32.1	Very low	36.2	Very low	147 Å²	147	133.5 Å²	133.5	77%	0.77	78%	0.781	S	S	*	*			trans	-49.2	130.6	157.9	-80.8	102.8	0	0	0	110.1
376	Y	28.9	Very low	33.4	Very low	235 Å²	235	133 Å²	133	92%	0.922	80%	0.797	S	S	*	*				-150.3	102.6	127.2	-82.5	-68.1	0	0	0	109.7	G374	G374-Y376 PolarHBondContact O-N 2.63Å
377	T	27.3	Very low	31.8	Very low	127 Å²	127	132.9 Å²	132.9	78%	0.779	80%	0.796	S	S	*	*			trans	-64.3	123.6	153.8	43.3	0	0	0	0	109.6
378	S	27.7	Very low	30.9	Very low	112 Å²	112	134 Å²	134	78%	0.783	80%	0.798	S	S	*	*			trans	-156.3	112.5	145.6	-159.8	0	0	0	0	110.9
379	T	28.9	Very low	30.2	Very low	128 Å²	128	139.7 Å²	139.7	79%	0.785	81%	0.811	S	S	*	*			trans	-48.2	134.6	161.3	46.6	0	0	0	0	112.2
380	R	28.6	Very low	29.8	Very low	240 Å²	240	138.6 Å²	138.6	91%	0.906	81%	0.81	S	S	*	*			trans	-156.4	131.7	148.1	-115.9	170.1	-176.4	160.9	2.2	113.1
381	D	27.4	Very low	29.2	Very low	155 Å²	155	135.6 Å²	135.6	83%	0.829	80%	0.804	S	S	*	*			trans	-48.8	144.2	177.6	-60.6	-70.7	0	0	0	114.8
382	L	28.4	Very low	29.6	Very low	184 Å²	184	134.7 Å²	134.7	96%	0.963	80%	0.801	S	S	*	*			trans	-117.5	110.6	161.2	-133.4	93.6	0	0	0	109
383	A	27.4	Very low	29.2	Very low	87 Å²	87	137.5 Å²	137.5	72%	0.719	80%	0.803	S	S	*	*			trans	-138.9	133.7	166.8	0	0	0	0	0	110.7
384	K	30.6	Very low	29.2	Very low	218 Å²	218	138.8 Å²	138.8	95%	0.948	80%	0.8	S	S	*	*			trans	73.3	133.4	171.7	-58.8	177.4	176.3	177.9	0	115.5
385	G	26.4	Very low	29.3	Very low	78 Å²	78	141.4 Å²	141.4	80%	0.804	80%	0.804	S	S	*	*			cis	160.5	153.4	4.7	0	0	0	0	0	109.6
386	G	27.4	Very low	29.2	Very low	78 Å²	78	141.7 Å²	141.7	80%	0.804	81%	0.807	S	S	*	*			trans	99.9	138	171.5	0	0	0	0	0	114.8
387	S	28	Very low	30	Very low	109 Å²	109	134.7 Å²	134.7	76%	0.762	79%	0.79	S	S	*	*			cis	179.9	162.2	-22.5	48.7	0	0	0	0	106
388	V	30.1	Very low	30.1	Very low	125 Å²	125	138 Å²	138	76%	0.758	79%	0.79	S	S	*	*			trans	95.4	96.3	162.2	-171.4	0	0	0	0	113.8
389	F	26.8	Very low	30.1	Very low	185 Å²	185	141.9 Å²	141.9	81%	0.811	80%	0.795	S	S	*	*				64.9	128.6	92.4	-94.1	-108.1	0	0	0	112.1
390	L	28.2	Very low	30.2	Very low	155 Å²	155	139.4 Å²	139.4	81%	0.812	80%	0.796	S	S	*	*			cis	-154.4	151.2	26.9	-101.5	120.7	0	0	0	109.5
391	G	25.3	Very low	30.2	Very low	64 Å²	64	137.8 Å²	137.8	66%	0.66	80%	0.799	S	S	*	*			trans	-79.6	-150.8	161.1	0	0	0	0	0	112
392	P	40.1	Very low	30.3	Very low	104 Å²	104	134.2 Å²	134.2	68%	0.675	80%	0.798	S	S	*	*			cis	-142.4	-171	-12	16.9	12.2	0	0	0	113.7
393	F	28.3	Very low	30.2	Very low	188 Å²	188	131.1 Å²	131.1	83%	0.825	79%	0.792	S	S	*	*			trans	97.4	107	151.9	-64.9	-70.3	0	0	0	121
394	T	32.3	Very low	30.3	Very low	126 Å²	126	136 Å²	136	77%	0.773	80%	0.8	S	S	*	*			trans	-61.2	162.4	139.2	51.2	0	0	0	0	110.9
395	P	35	Very low	30.2	Very low	124 Å²	124	132.6 Å²	132.6	81%	0.805	80%	0.797	S	S	*	*			cis	-149.6	169.7	42	36.9	-13.1	0	0	0	118.4
396	N	30.1	Very low	30.4	Very low	153 Å²	153	135.1 Å²	135.1	82%	0.818	80%	0.796	S	S	*	*			trans	-51.4	179.2	160.4	-90.5	-4.3	0	0	0	113.4
397	P	46.3	Very low	30.2	Very low	89 Å²	89	137.2 Å²	137.2	58%	0.578	79%	0.794	S	S	*	*			cis	-142.2	-177.7	1.5	15.8	14	0	0	0	116.2
398	Y	28.7	Very low	30.2	Very low	197 Å²	197	137.7 Å²	137.7	77%	0.773	80%	0.797	S	S	*	*			trans	121.9	119.9	143.3	-66.2	-69.2	0	0	0	119.6
399	E	28.7	Very low	30	Very low	192 Å²	192	136.6 Å²	136.6	90%	0.897	80%	0.795	S	S	*	*			trans	55.6	135.5	139.4	-72.6	-178.9	162.6	0	0	123.4
400	G	29.3	Very low	30.1	Very low	77 Å²	77	138.9 Å²	138.9	79%	0.794	80%	0.8	S	S	*	*			trans	158.5	110.7	156.1	0	0	0	0	0	114.8
401	E	29.1	Very low	30.2	Very low	206 Å²	206	138.1 Å²	138.1	96%	0.963	80%	0.802	S	S	*	*			trans	-55.2	161.5	174.7	-67.2	167.2	129.6	0	0	115.4
402	G	29.5	Very low	30.3	Very low	79 Å²	79	141.6 Å²	141.6	81%	0.814	81%	0.81	S	S	*	*			trans	164.4	97.5	158.7	0	0	0	0	0	115.4
403	S	27.5	Very low	29.9	Very low	119 Å²	119	142.9 Å²	142.9	83%	0.832	82%	0.816	S	S	*	*			trans	-62.1	148.2	166.8	-69.3	0	0	0	0	113.3
404	E	28.1	Very low	30.3	Very low	191 Å²	191	141.2 Å²	141.2	89%	0.893	82%	0.821	S	S	*	*				154.1	108.5	125.9	-85.3	-174.6	171.7	0	0	110.2
405	V	29.6	Very low	30.4	Very low	146 Å²	146	138 Å²	138	89%	0.885	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-99.7	121.7	170.3	174.8	0	0	0	0	108.5
406	V	29.2	Very low	30.7	Very low	131 Å²	131	141.3 Å²	141.3	79%	0.794	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-67.9	131.6	174.1	171.6	0	0	0	0	110.8
407	T	24.1	Very low	31.2	Very low	122 Å²	122	140.2 Å²	140.2	75%	0.748	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-64.6	138.8	175.1	-32.2	0	0	0	0	112.3
408	S	28.6	Very low	31.1	Very low	119 Å²	119	142.7 Å²	142.7	83%	0.832	82%	0.82	S	S	*	*			trans	-145.2	121	149.7	-75.5	0	0	0	0	109.8
409	S	26.1	Very low	31.8	Very low	102 Å²	102	141 Å²	141	71%	0.713	82%	0.823	S	S	*	*			trans	-78.7	137.8	-168.2	50.2	0	0	0	0	113.9
410	Y	28.3	Very low	32.7	Very low	232 Å²	232	138.6 Å²	138.6	91%	0.91	81%	0.812	S	S	*	*			trans	-124.4	129.9	148.5	-77.6	-84.3	0	0	0	108.5
411	T	29.6	Very low	33.6	Very low	140 Å²	140	138 Å²	138	86%	0.859	80%	0.796	S	S	*	*			trans	-70.4	128.7	-178.5	42.8	0	0	0	0	111.8
412	V	28.8	Very low	34.6	Very low	136 Å²	136	132.7 Å²	132.7	82%	0.824	78%	0.777	S	S	*	*			trans	-119.1	128.7	161.3	178.4	0	0	0	0	108.6
413	T	31.3	Very low	35.6	Very low	132 Å²	132	134.8 Å²	134.8	81%	0.81	77%	0.767	S	S	*	*			trans	-56	135	178.2	43.6	0	0	0	0	112.7	G415	T413-G415 PolarHBondContact O-N 2.78Å
414	V	36.8	Very low	36.9	Very low	153 Å²	153	135 Å²	135	93%	0.927	76%	0.755	S	S	*	*			trans	-65.3	113.2	172.5	176.7	0	0	0	0	109.4
415	G	32.8	Very low	38.4	Very low	59 Å²	59	131.1 Å²	131.1	61%	0.608	74%	0.739	S	S	*	*			trans	-110.3	136.4	171.2	0	0	0	0	0	110.1	T413 D417	T413-G415 PolarHBondContact O-N 2.78Å; G415-D417 PolarHBondContact O-N 2.98Å
416	H	41.5	Very low	39.7	Very low	192 Å²	192	131 Å²	131	89%	0.889	73%	0.729	S	S	*	*	S	Bend	trans	-83.7	80.2	-165.6	-170.3	82.1	0	0	0	111.4
417	D	40.9	Very low	41	Very low	130 Å²	130	131.3 Å²	131.3	70%	0.695	72%	0.72	S	S	*	*			trans	-140.1	4.5	-177.7	-87.2	-33.4	0	0	0	116.5	G415	G415-D417 PolarHBondContact O-N 2.98Å
418	D	43.7	Very low	42.9	Very low	142 Å²	142	130.2 Å²	130.2	76%	0.759	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	0.9	-170.7	-88	-25.6	0	0	0	116.6
419	L	45.4	Very low	45	Very low	160 Å²	160	128 Å²	128	84%	0.838	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-19.5	178.3	-130.6	83.7	0	0	0	114.7
420	E	47	Very low	47.1	Very low	143 Å²	143	127 Å²	127	67%	0.668	68%	0.684	S	S	*	*	H	α-helix	trans	-84.2	-35.4	-177.9	-161.2	97.7	-151.5	0	0	111.7	M423	E420-M423 PolarHBondContact O-N 2.85Å
421	S	47.8	Very low	49.3	Very low	64 Å²	64	117.6 Å²	117.6	45%	0.448	66%	0.657	S	S	.	*	H	α-helix	trans	-71.4	-32.9	-173.2	-54.4	0	0	0	0	113.7	I425	S421-I425 WeakPolarHBondContact O-CD1 3.21Å; S421-I425 VanDerWaalsContact O-CG1 3.3Å; S421-I425 WeakPolarHBondContact O-CG1 3.28Å; S421-I425 PolarHBondContact O-N 2.91Å
422	T	50.5	Low	51.6	Low	94 Å²	94	114.1 Å²	114.1	58%	0.577	64%	0.636	S	S	*	*	H	α-helix	trans	-74.5	-30.6	-179.9	50.3	0	0	0	0	112.4	H426	T422-H426 PolarHBondContact O-N 3.07Å
423	M	50.9	Low	54.1	Low	123 Å²	123	112.3 Å²	112.3	61%	0.606	62%	0.62	S	S	*	*	H	α-helix	trans	-78.7	-26.4	-179.4	-161.3	176.3	169.4	0	0	112.9	E420 K427	E420-M423 PolarHBondContact O-N 2.85Å; M423-K427 WeakPolarHBondContact O-CG 3.17Å
424	Q	54.1	Low	56.5	Low	123 Å²	123	108.9 Å²	108.9	58%	0.575	61%	0.605	S	S	*	*	H	α-helix	trans	-78.6	-40	174.5	-68.2	-167.7	2.4	0	0	112.6	H426 K427 V428	Q424-H426 VanDerWaalsContact C-N 3.35Å; Q424-H426 PolarHBondContact O-N 3.17Å; Q424-K427 PolarHBondContact O-N 3.37Å; Q424-V428 WeakPolarHBondContact O-CG2 3.15Å; Q424-V428 PolarHBondContact O-N 3.34Å; Q424-V428 VanDerWaalsContact O-N 3.1Å
425	I	59.4	Low	58.5	Low	110 Å²	110	107.6 Å²	107.6	56%	0.564	59%	0.592	S	S	*	*	H	α-helix	trans	-63.6	-41.9	178.2	-64.7	166.8	0	0	0	110.7	S421 K427 V428 V429	S421-I425 WeakPolarHBondContact O-CD1 3.21Å; S421-I425 VanDerWaalsContact O-CG1 3.3Å; S421-I425 WeakPolarHBondContact O-CG1 3.28Å; S421-I425 PolarHBondContact O-N 2.91Å; I425-K427 VanDerWaalsContact C-N 3.3Å; I425-K427 PolarHBondContact O-N 3.45Å; I425-V428 PolarHBondContact O-N 3.43Å; I425-V429 HydrophobicContact CG2-CG2 4.34Å; I425-V429 VanDerWaalsContact O-CG2 3.32Å; I425-V429 WeakPolarHBondContact O-CG2 3.5Å; I425-V429 PolarHBondContact O-N 2.91Å
426	H	56.2	Low	60.9	Low	143 Å²	143	109 Å²	109	66%	0.662	59%	0.585	S	S	*	*	H	α-helix	trans	-63.9	-35.3	177.7	-148.2	-69.9	0	0	0	112	T422 Q424 T430	T422-H426 PolarHBondContact O-N 3.07Å; Q424-H426 VanDerWaalsContact C-N 3.35Å; Q424-H426 PolarHBondContact O-N 3.17Å; H426-T430 PolarHBondContact ND1-OG1 3.08Å; H426-T430 WeakPolarHBondContact O-CB 3.14Å; H426-T430 PolarHBondContact O-N 3.45Å; H426-T430 PolarHBondContact O-OG1 3.19Å
427	K	56.7	Low	63	Low	139 Å²	139	106 Å²	106	60%	0.604	57%	0.57	S	S	*	*	H	α-helix	trans	-69.4	-39.8	176.8	-75.9	175.8	179.7	174.4	0	112.8	M423 Q424 I425 T430 G431	M423-K427 WeakPolarHBondContact O-CG 3.17Å; Q424-K427 PolarHBondContact O-N 3.37Å; I425-K427 VanDerWaalsContact C-N 3.3Å; I425-K427 PolarHBondContact O-N 3.45Å; K427-T430 PolarHBondContact O-N 3.49Å; K427-G431 PolarHBondContact O-N 3.17Å
428	V	65.1	Low	65.2	Low	99 Å²	99	103.1 Å²	103.1	60%	0.6	56%	0.559	S	S	*	*	H	α-helix	trans	-67.8	-44	177.5	176	0	0	0	0	110.8	Q424 I425 T430 G431 T432	Q424-V428 WeakPolarHBondContact O-CG2 3.15Å; Q424-V428 PolarHBondContact O-N 3.34Å; Q424-V428 VanDerWaalsContact O-N 3.1Å; I425-V428 PolarHBondContact O-N 3.43Å; V428-T430 PolarHBondContact O-N 2.88Å; V428-G431 PolarHBondContact O-N 3.3Å; V428-T432 WeakPolarHBondContact O-CG2 3.31Å; V428-T432 PolarHBondContact O-N 3.29Å; V428-T432 PolarHBondContact O-OG1 2.86Å
429	V	71.7	Confident	67.4	Low	73 Å²	73	102.9 Å²	102.9	44%	0.442	55%	0.552	S	S	.	*	H	α-helix	trans	-65.2	-38.2	176.9	174.9	0	0	0	0	111.7	I425 G431 T432 M433	I425-V429 HydrophobicContact CG2-CG2 4.34Å; I425-V429 VanDerWaalsContact O-CG2 3.32Å; I425-V429 WeakPolarHBondContact O-CG2 3.5Å; I425-V429 PolarHBondContact O-N 2.91Å; V429-G431 VanDerWaalsContact C-N 3.35Å; V429-T432 PolarHBondContact O-OG1 3.42Å; V429-T432 VanDerWaalsContact O-OG1 3.12Å; V429-M433 HydrophobicContact CG1-CG 4.46Å; V429-M433 WeakPolarHBondContact O-CB 3.37Å; V429-M433 WeakPolarHBondContact O-CG 3.27Å; V429-M433 PolarHBondContact O-N 2.83Å; V429-M433 VanDerWaalsContact O-N 3.08Å
430	T	70.9	Confident	69.4	Low	80 Å²	80	99.8 Å²	99.8	49%	0.491	54%	0.536	S	S	.	.	H	α-helix	trans	-69.1	-35.6	176.7	-44	0	0	0	0	111.3	H426 K427 V428 A434	H426-T430 PolarHBondContact ND1-OG1 3.08Å; H426-T430 WeakPolarHBondContact O-CB 3.14Å; H426-T430 PolarHBondContact O-N 3.45Å; H426-T430 PolarHBondContact O-OG1 3.19Å; K427-T430 PolarHBondContact O-N 3.49Å; V428-T430 PolarHBondContact O-N 2.88Å; T430-A434 WeakPolarHBondContact O-CB 3.36Å; T430-A434 PolarHBondContact O-N 3.48Å
431	G	74.7	Confident	71.4	Confident	35 Å²	35	97.4 Å²	97.4	36%	0.361	53%	0.527	S	S	.	.	H	α-helix	trans	-68.7	-43	176.6	0	0	0	0	0	113.6	K427 V428 V429 A434 L435	K427-G431 PolarHBondContact O-N 3.17Å; V428-G431 PolarHBondContact O-N 3.3Å; V429-G431 VanDerWaalsContact C-N 3.35Å; G431-A434 PolarHBondContact O-N 2.98Å; G431-L435 PolarHBondContact O-N 3.02Å; G431-L435 VanDerWaalsContact O-N 3.08Å
432	T	77.3	Confident	73.3	Confident	67 Å²	67	97.9 Å²	97.9	41%	0.411	53%	0.527	S	S	.	.	H	α-helix	trans	-68.2	-39.3	177.4	53.8	0	0	0	0	111.7	V428 V429 L435 I436	V428-T432 WeakPolarHBondContact O-CG2 3.31Å; V428-T432 PolarHBondContact O-N 3.29Å; V428-T432 PolarHBondContact O-OG1 2.86Å; V429-T432 PolarHBondContact O-OG1 3.42Å; V429-T432 VanDerWaalsContact O-OG1 3.12Å; T432-L435 PolarHBondContact O-N 3.16Å; T432-I436 WeakPolarHBondContact O-CD1 3.1Å; T432-I436 VanDerWaalsContact O-CG1 3.28Å; T432-I436 WeakPolarHBondContact O-CG1 3.27Å; T432-I436 PolarHBondContact O-N 2.95Å
433	M	82.3	Confident	75	Confident	97 Å²	97	96.7 Å²	96.7	48%	0.478	52%	0.519	S	S	.	.	H	α-helix	trans	-64.1	-40.9	174	-68.9	-64.8	169.2	0	0	111.8	V429 L435 I436 F437	V429-M433 HydrophobicContact CG1-CG 4.46Å; V429-M433 WeakPolarHBondContact O-CB 3.37Å; V429-M433 WeakPolarHBondContact O-CG 3.27Å; V429-M433 PolarHBondContact O-N 2.83Å; V429-M433 VanDerWaalsContact O-N 3.08Å; M433-L435 PolarHBondContact O-N 3.05Å; M433-I436 PolarHBondContact O-N 3.43Å; M433-F437 WeakPolarHBondContact O-CD2 3.33Å; M433-F437 PolarHBondContact O-N 3.36Å
434	A	80.1	Confident	76.7	Confident	60 Å²	60	96 Å²	96	50%	0.496	52%	0.517	S	S	.	.	H	α-helix	trans	-63.2	-38.7	176.5	0	0	0	0	0	112.9	T430 G431 S438	T430-A434 WeakPolarHBondContact O-CB 3.36Å; T430-A434 PolarHBondContact O-N 3.48Å; G431-A434 PolarHBondContact O-N 2.98Å; A434-S438 WeakPolarHBondContact O-CB 3.3Å; A434-S438 PolarHBondContact O-N 3.38Å
435	L	79.1	Confident	78.1	Confident	127 Å²	127	95.1 Å²	95.1	67%	0.665	52%	0.515	S	S	*	.	H	α-helix	trans	-66.8	-41.2	175.6	-76.5	170.3	0	0	0	112.2	G431 T432 M433 S438 F439	G431-L435 PolarHBondContact O-N 3.02Å; G431-L435 VanDerWaalsContact O-N 3.08Å; T432-L435 PolarHBondContact O-N 3.16Å; M433-L435 PolarHBondContact O-N 3.05Å; L435-S438 PolarHBondContact O-N 3.45Å; L435-F439 WeakPolarHBondContact O-CB 3.39Å; L435-F439 PolarHBondContact O-N 3.42Å
436	I	84	Confident	79	Confident	89 Å²	89	95.4 Å²	95.4	46%	0.456	52%	0.517	S	S	.	.	H	α-helix	trans	-64.9	-45.1	177.2	-67.7	164.8	0	0	0	110.5	T432 M433 S438 F439 L440	T432-I436 WeakPolarHBondContact O-CD1 3.1Å; T432-I436 VanDerWaalsContact O-CG1 3.28Å; T432-I436 WeakPolarHBondContact O-CG1 3.27Å; T432-I436 PolarHBondContact O-N 2.95Å; M433-I436 PolarHBondContact O-N 3.43Å; I436-S438 PolarHBondContact O-N 3.1Å; I436-F439 PolarHBondContact O-N 3.27Å; I436-L440 HydrophobicContact CG2-CD1 3.95Å; I436-L440 HydrophobicContact CG2-CG 4.43Å; I436-L440 WeakPolarHBondContact O-CB 3.36Å; I436-L440 VanDerWaalsContact O-CG 3.32Å; I436-L440 WeakPolarHBondContact O-CG 3.26Å; I436-L440 PolarHBondContact O-N 3.37Å
437	F	85.4	Confident	80.3	Confident	129 Å²	129	94.3 Å²	94.3	57%	0.566	51%	0.508	S	S	*	.	H	α-helix	trans	-64.1	-39.8	175.6	-80.6	-66.5	0	0	0	112.1	M433 F439 L440 I441	M433-F437 WeakPolarHBondContact O-CD2 3.33Å; M433-F437 PolarHBondContact O-N 3.36Å; F437-F439 VanDerWaalsContact C-N 3.35Å; F437-F439 PolarHBondContact O-N 2.93Å; F437-L440 PolarHBondContact O-N 3.05Å; F437-I441 WeakPolarHBondContact O-CB 3.34Å; F437-I441 WeakPolarHBondContact O-CD1 3.37Å; F437-I441 WeakPolarHBondContact O-CG1 3.39Å; F437-I441 PolarHBondContact O-N 2.77Å
438	S	87.7	Confident	81.4	Confident	69 Å²	69	91 Å²	91	48%	0.483	50%	0.5	S	S	.	.	H	α-helix	trans	-61.4	-43.1	174.2	-174.5	0	0	0	0	111.7	A434 L435 I436 I441 V442	A434-S438 WeakPolarHBondContact O-CB 3.3Å; A434-S438 PolarHBondContact O-N 3.38Å; L435-S438 PolarHBondContact O-N 3.45Å; I436-S438 PolarHBondContact O-N 3.1Å; S438-I441 PolarHBondContact O-N 3.22Å; S438-V442 VanDerWaalsContact O-CG2 3.3Å; S438-V442 WeakPolarHBondContact O-CG2 3.47Å; S438-V442 PolarHBondContact O-N 3.33Å
439	F	89.4	Confident	81.6	Confident	136 Å²	136	88.5 Å²	88.5	60%	0.596	49%	0.489	S	S	*	.	H	α-helix	trans	-64	-46.2	177	178.5	-99.8	0	0	0	111.7	L435 I436 F437 I441 V442 V443	L435-F439 WeakPolarHBondContact O-CB 3.39Å; L435-F439 PolarHBondContact O-N 3.42Å; I436-F439 PolarHBondContact O-N 3.27Å; F437-F439 VanDerWaalsContact C-N 3.35Å; F437-F439 PolarHBondContact O-N 2.93Å; F439-I441 VanDerWaalsContact C-N 3.32Å; F439-I441 PolarHBondContact O-N 3.22Å; F439-V442 PolarHBondContact O-N 2.94Å; F439-V443 HydrophobicContact CD1-CG2 4.27Å; F439-V443 HydrophobicContact CE1-CG2 3.88Å; F439-V443 HydrophobicContact CE2-CG2 4.24Å; F439-V443 HydrophobicContact CZ-CG2 3.86Å; F439-V443 WeakPolarHBondContact O-CG2 3.44Å; F439-V443 PolarHBondContact O-N 2.89Å
440	L	86.9	Confident	81.3	Confident	95 Å²	95	94 Å²	94	50%	0.497	50%	0.502	S	S	.	.	H	α-helix	trans	-63.7	-36.7	178.2	-71.2	172.9	0	0	0	112.3	I436 F437 V443 L444	I436-L440 HydrophobicContact CG2-CD1 3.95Å; I436-L440 HydrophobicContact CG2-CG 4.43Å; I436-L440 WeakPolarHBondContact O-CB 3.36Å; I436-L440 VanDerWaalsContact O-CG 3.32Å; I436-L440 WeakPolarHBondContact O-CG 3.26Å; I436-L440 PolarHBondContact O-N 3.37Å; F437-L440 PolarHBondContact O-N 3.05Å; L440-V443 PolarHBondContact O-N 3.27Å; L440-L444 VanDerWaalsContact O-CB 3.3Å; L440-L444 WeakPolarHBondContact O-CB 3.3Å; L440-L444 PolarHBondContact O-N 3.5Å
441	I	89.4	Confident	81.2	Confident	94 Å²	94	97.2 Å²	97.2	48%	0.482	51%	0.509	S	S	.	.	H	α-helix	trans	-66.3	-42.1	174.5	-70.1	165	0	0	0	110.8	F437 S438 F439 L444 I445	F437-I441 WeakPolarHBondContact O-CB 3.34Å; F437-I441 WeakPolarHBondContact O-CD1 3.37Å; F437-I441 WeakPolarHBondContact O-CG1 3.39Å; F437-I441 PolarHBondContact O-N 2.77Å; S438-I441 PolarHBondContact O-N 3.22Å; F439-I441 VanDerWaalsContact C-N 3.32Å; F439-I441 PolarHBondContact O-N 3.22Å; I441-L444 PolarHBondContact O-N 2.94Å; I441-I445 HydrophobicContact CG2-CD1 3.75Å; I441-I445 HydrophobicContact CG2-CG1 4.38Å; I441-I445 WeakPolarHBondContact O-CB 3.17Å; I441-I445 VanDerWaalsContact O-CG1 3.23Å; I441-I445 WeakPolarHBondContact O-CG1 3.29Å; I441-I445 PolarHBondContact O-N 3.46Å
442	V	88.4	Confident	80.6	Confident	74 Å²	74	99.3 Å²	99.3	45%	0.448	52%	0.518	S	S	.	.	H	α-helix	trans	-63.3	-44.1	176.5	171.3	0	0	0	0	111	S438 F439 L444 I445 L446	S438-V442 VanDerWaalsContact O-CG2 3.3Å; S438-V442 WeakPolarHBondContact O-CG2 3.47Å; S438-V442 PolarHBondContact O-N 3.33Å; F439-V442 PolarHBondContact O-N 2.94Å; V442-L444 VanDerWaalsContact C-N 3.34Å; V442-L444 PolarHBondContact O-N 2.89Å; V442-I445 PolarHBondContact O-N 3.43Å; V442-L446 HydrophobicContact CG1-CD1 4.04Å; V442-L446 HydrophobicContact CG1-CG 4.46Å; V442-L446 WeakPolarHBondContact O-CB 3.42Å; V442-L446 VanDerWaalsContact O-CG 3.3Å; V442-L446 WeakPolarHBondContact O-CG 3.41Å; V442-L446 PolarHBondContact O-N 3.26Å
443	V	85.7	Confident	79.8	Confident	68 Å²	68	103.5 Å²	103.5	41%	0.412	53%	0.53	S	S	.	.	H	α-helix	trans	-63.6	-40.9	176.5	173.9	0	0	0	0	111.1	F439 L440 L446 Y447	F439-V443 HydrophobicContact CD1-CG2 4.27Å; F439-V443 HydrophobicContact CE1-CG2 3.88Å; F439-V443 HydrophobicContact CE2-CG2 4.24Å; F439-V443 HydrophobicContact CZ-CG2 3.86Å; F439-V443 WeakPolarHBondContact O-CG2 3.44Å; F439-V443 PolarHBondContact O-N 2.89Å; L440-V443 PolarHBondContact O-N 3.27Å; V443-L446 PolarHBondContact O-N 2.92Å; V443-Y447 VanDerWaalsContact O-CB 3.3Å; V443-Y447 WeakPolarHBondContact O-CB 3.46Å; V443-Y447 PolarHBondContact O-N 3.05Å
444	L	87	Confident	78.5	Confident	109 Å²	109	102.9 Å²	102.9	57%	0.571	53%	0.533	S	S	*	.	H	α-helix	trans	-64	-42.3	175.5	-172.5	74.5	0	0	0	111.7	L440 I441 V442 Y447 V448	L440-L444 VanDerWaalsContact O-CB 3.3Å; L440-L444 WeakPolarHBondContact O-CB 3.3Å; L440-L444 PolarHBondContact O-N 3.5Å; I441-L444 PolarHBondContact O-N 2.94Å; V442-L444 VanDerWaalsContact C-N 3.34Å; V442-L444 PolarHBondContact O-N 2.89Å; L444-Y447 PolarHBondContact O-N 3.2Å; L444-V448 WeakPolarHBondContact O-CB 3.41Å; L444-V448 VanDerWaalsContact O-CG2 3.25Å; L444-V448 WeakPolarHBondContact O-CG2 3.38Å; L444-V448 PolarHBondContact O-N 3.07Å
445	I	82.4	Confident	77.1	Confident	105 Å²	105	103.6 Å²	103.6	54%	0.538	54%	0.539	S	S	.	.	H	α-helix	trans	-63.8	-43.2	176.2	-70.6	167.6	0	0	0	110.5	I441 V442 V448 A449	I441-I445 HydrophobicContact CG2-CD1 3.75Å; I441-I445 HydrophobicContact CG2-CG1 4.38Å; I441-I445 WeakPolarHBondContact O-CB 3.17Å; I441-I445 VanDerWaalsContact O-CG1 3.23Å; I441-I445 WeakPolarHBondContact O-CG1 3.29Å; I441-I445 PolarHBondContact O-N 3.46Å; V442-I445 PolarHBondContact O-N 3.43Å; I445-V448 PolarHBondContact O-N 3.31Å; I445-A449 WeakPolarHBondContact O-CB 3.17Å; I445-A449 PolarHBondContact O-N 3.11Å
446	L	78.1	Confident	75.9	Confident	115 Å²	115	99.2 Å²	99.2	60%	0.602	53%	0.525	S	S	*	.	H	α-helix	trans	-64.4	-41.1	176.2	-71.7	172.1	0	0	0	111.6	V442 V443 A449 W450	V442-L446 HydrophobicContact CG1-CD1 4.04Å; V442-L446 HydrophobicContact CG1-CG 4.46Å; V442-L446 WeakPolarHBondContact O-CB 3.42Å; V442-L446 VanDerWaalsContact O-CG 3.3Å; V442-L446 WeakPolarHBondContact O-CG 3.41Å; V442-L446 PolarHBondContact O-N 3.26Å; V443-L446 PolarHBondContact O-N 2.92Å; L446-A449 PolarHBondContact O-N 3.19Å; L446-W450 VanDerWaalsContact O-CB 3.22Å; L446-W450 WeakPolarHBondContact O-CB 3.37Å; L446-W450 PolarHBondContact O-N 3.11Å
447	Y	83.7	Confident	74.5	Confident	120 Å²	120	99.3 Å²	99.3	47%	0.471	53%	0.525	S	S	.	.	H	α-helix	trans	-64.2	-45.3	176.1	179.3	-96.6	0	0	0	111.8	V443 L444 W450 K451	V443-Y447 VanDerWaalsContact O-CB 3.3Å; V443-Y447 WeakPolarHBondContact O-CB 3.46Å; V443-Y447 PolarHBondContact O-N 3.05Å; L444-Y447 PolarHBondContact O-N 3.2Å; Y447-W450 PolarHBondContact O-N 3.28Å; Y447-K451 HydrophobicContact CE1-CD 4Å; Y447-K451 VanDerWaalsContact O-CB 3.31Å; Y447-K451 WeakPolarHBondContact O-CB 3.42Å; Y447-K451 PolarHBondContact O-N 3.15Å; Y447-K451 PolarHBondContact OH-NZ 2.83Å
448	V	79.4	Confident	72.8	Confident	71 Å²	71	102.1 Å²	102.1	43%	0.43	53%	0.532	S	S	.	.	H	α-helix	trans	-67.5	-40.7	176.9	172.6	0	0	0	0	111	L444 I445 W450 K451 C452	L444-V448 WeakPolarHBondContact O-CB 3.41Å; L444-V448 VanDerWaalsContact O-CG2 3.25Å; L444-V448 WeakPolarHBondContact O-CG2 3.38Å; L444-V448 PolarHBondContact O-N 3.07Å; I445-V448 PolarHBondContact O-N 3.31Å; V448-W450 VanDerWaalsContact C-N 3.33Å; V448-W450 PolarHBondContact O-N 3.23Å; V448-K451 PolarHBondContact O-N 3.04Å; V448-C452 VanDerWaalsContact O-CB 3.22Å; V448-C452 WeakPolarHBondContact O-CB 3.19Å; V448-C452 PolarHBondContact O-N 3.22Å
449	A	69.1	Low	71	Confident	45 Å²	45	105.6 Å²	105.6	37%	0.372	54%	0.541	S	S	.	.	H	α-helix	trans	-63.5	-39.6	175.2	0	0	0	0	0	111.9	I445 L446 F453	I445-A449 WeakPolarHBondContact O-CB 3.17Å; I445-A449 PolarHBondContact O-N 3.11Å; L446-A449 PolarHBondContact O-N 3.19Å; A449-F453 PolarHBondContact O-N 3.26Å
450	W	65.8	Low	69.2	Low	190 Å²	190	104.2 Å²	104.2	72%	0.72	54%	0.539	S	S	*	.	H	α-helix	trans	-66.4	-37.6	176	-171.9	28.2	0	0	0	112.1	L446 Y447 V448	L446-W450 VanDerWaalsContact O-CB 3.22Å; L446-W450 WeakPolarHBondContact O-CB 3.37Å; L446-W450 PolarHBondContact O-N 3.11Å; Y447-W450 PolarHBondContact O-N 3.28Å; V448-W450 VanDerWaalsContact C-N 3.33Å; V448-W450 PolarHBondContact O-N 3.23Å
451	K	68.5	Low	67.5	Low	146 Å²	146	109.2 Å²	109.2	64%	0.635	55%	0.552	S	S	*	*	H	α-helix	trans	-84.8	-33.2	-177	-159	176.9	-174.3	175.5	0	113.9	Y447 V448	Y447-K451 HydrophobicContact CE1-CD 4Å; Y447-K451 VanDerWaalsContact O-CB 3.31Å; Y447-K451 WeakPolarHBondContact O-CB 3.42Å; Y447-K451 PolarHBondContact O-N 3.15Å; Y447-K451 PolarHBondContact OH-NZ 2.83Å; V448-K451 PolarHBondContact O-N 3.04Å
452	C	62.8	Low	65.7	Low	80 Å²	80	111 Å²	111	54%	0.541	56%	0.558	S	S	.	*	H	α-helix	trans	-94.9	-22.6	-175	-68.7	0	0	0	0	114.3	V448	V448-C452 VanDerWaalsContact O-CB 3.22Å; V448-C452 WeakPolarHBondContact O-CB 3.19Å; V448-C452 PolarHBondContact O-N 3.22Å
453	F	61.1	Low	63.7	Low	154 Å²	154	110.9 Å²	110.9	68%	0.675	56%	0.56	S	S	*	*			trans	-135	68	-179.5	-69.2	-80.3	0	0	0	114	A449 A455	A449-F453 PolarHBondContact O-N 3.26Å; F453-A455 PolarHBondContact O-N 2.96Å
454	P	55.1	Low	61.9	Low	84 Å²	84	113.9 Å²	113.9	55%	0.545	57%	0.567	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.8	-17.1	178.2	26.7	-33.5	0	0	0	113.8
455	A	50.8	Low	60	Low	75 Å²	75	111.6 Å²	111.6	62%	0.62	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-30.8	-178.4	0	0	0	0	0	114.2	F453 R458	F453-A455 PolarHBondContact O-N 2.96Å; A455-R458 PolarHBondContact O-N 3.41Å
456	G	53	Low	58.5	Low	35 Å²	35	109.2 Å²	109.2	36%	0.361	55%	0.553	S	S	.	*	H	α-helix	trans	-71.2	-33.8	-176	0	0	0	0	0	114.2	R458 Q459 L460	G456-R458 VanDerWaalsContact C-N 3.31Å; G456-R458 PolarHBondContact O-N 3.1Å; G456-Q459 PolarHBondContact O-N 3.42Å; G456-L460 PolarHBondContact O-N 2.7Å
457	I	53.9	Low	57.2	Low	91 Å²	91	109.5 Å²	109.5	47%	0.467	55%	0.551	S	S	.	*	H	α-helix	trans	-71.4	-27.6	-179.6	-65.6	174.5	0	0	0	111.7	Q459 R461	I457-Q459 VanDerWaalsContact C-N 3.34Å; I457-R461 PolarHBondContact O-N 3.48Å
458	R	51.1	Low	55.7	Low	188 Å²	188	113.3 Å²	113.3	71%	0.709	57%	0.565	S	S	*	*	H	α-helix	trans	-68.6	-35.2	175.1	-66.3	-176.4	-174.1	-175.9	0.7	111.7	A455 G456 Q462	A455-R458 PolarHBondContact O-N 3.41Å; G456-R458 VanDerWaalsContact C-N 3.31Å; G456-R458 PolarHBondContact O-N 3.1Å; R458-Q462 WeakPolarHBondContact O-CG 3.31Å; R458-Q462 PolarHBondContact O-N 3.19Å; R458-Q462 VanDerWaalsContact O-N 3.11Å
459	Q	50	Low	54.4	Low	143 Å²	143	119.5 Å²	119.5	67%	0.668	58%	0.58	S	S	*	*	H	α-helix	trans	-74.1	-36.4	-180	-130.4	171.5	1.5	0	0	112.5	G456 I457 Q462 C463	G456-Q459 PolarHBondContact O-N 3.42Å; I457-Q459 VanDerWaalsContact C-N 3.34Å; Q459-Q462 PolarHBondContact O-N 2.81Å; Q459-C463 WeakPolarHBondContact O-CB 3.35Å; Q459-C463 PolarHBondContact O-N 3.23Å
460	L	51.3	Low	53.5	Low	107 Å²	107	124.6 Å²	124.6	56%	0.56	59%	0.594	S	S	*	*	H	α-helix	trans	-64.8	-43.1	172.2	-96.9	148	0	0	0	112.1	G456 Q462 C463 F464	G456-L460 PolarHBondContact O-N 2.7Å; L460-Q462 VanDerWaalsContact C-N 3.31Å; L460-Q462 PolarHBondContact O-N 3.05Å; L460-C463 PolarHBondContact O-N 3.06Å; L460-F464 HydrophobicContact CD2-CD2 4.25Å; L460-F464 HydrophobicContact CD2-CE2 3.6Å; L460-F464 HydrophobicContact CD2-CZ 4.45Å; L460-F464 WeakPolarHBondContact O-CD2 3.34Å; L460-F464 PolarHBondContact O-N 2.91Å
461	R	51.3	Low	53	Low	200 Å²	200	122.1 Å²	122.1	76%	0.755	59%	0.591	S	S	*	*	H	α-helix	trans	-61.8	-36.2	173.4	-90.3	-174.8	179.4	-177.7	0.9	112.9	I457 S465	I457-R461 PolarHBondContact O-N 3.48Å; R461-S465 WeakPolarHBondContact O-CB 3.28Å; R461-S465 PolarHBondContact O-N 3.17Å; R461-S465 PolarHBondContact O-OG 3.19Å
462	Q	51.6	Low	52.4	Low	131 Å²	131	123 Å²	123	61%	0.612	59%	0.594	S	S	*	*	H	α-helix	trans	-73	-35.9	176	-76.1	178.7	-18.3	0	0	112.7	R458 Q459 L460 S465 S466	R458-Q462 WeakPolarHBondContact O-CG 3.31Å; R458-Q462 PolarHBondContact O-N 3.19Å; R458-Q462 VanDerWaalsContact O-N 3.11Å; Q459-Q462 PolarHBondContact O-N 2.81Å; L460-Q462 VanDerWaalsContact C-N 3.31Å; L460-Q462 PolarHBondContact O-N 3.05Å; Q462-S465 PolarHBondContact O-OG 3.1Å; Q462-S466 WeakPolarHBondContact O-CB 3.46Å; Q462-S466 PolarHBondContact O-N 2.82Å
463	C	46.8	Very low	51.9	Low	72 Å²	72	125.5 Å²	125.5	49%	0.486	60%	0.598	S	S	.	*	H	α-helix	trans	-67.7	-44.7	177.5	-160.2	0	0	0	0	111.5	Q459 L460 S465 S466 Q467	Q459-C463 WeakPolarHBondContact O-CB 3.35Å; Q459-C463 PolarHBondContact O-N 3.23Å; L460-C463 PolarHBondContact O-N 3.06Å; C463-S465 PolarHBondContact O-N 3.33Å; C463-S466 PolarHBondContact O-N 3.34Å; C463-S466 PolarHBondContact O-OG 3.08Å; C463-Q467 PolarHBondContact O-N 3.24Å; C463-Q467 VanDerWaalsContact O-N 3.11Å
464	F	47	Very low	51.4	Low	131 Å²	131	125.9 Å²	125.9	58%	0.575	60%	0.599	S	S	*	*	H	α-helix	trans	-65.1	-37.4	176.2	-78.7	-65	0	0	0	113.2	L460 R468	L460-F464 HydrophobicContact CD2-CD2 4.25Å; L460-F464 HydrophobicContact CD2-CE2 3.6Å; L460-F464 HydrophobicContact CD2-CZ 4.45Å; L460-F464 WeakPolarHBondContact O-CD2 3.34Å; L460-F464 PolarHBondContact O-N 2.91Å; F464-R468 PolarHBondContact O-N 2.96Å; F464-R468 VanDerWaalsContact O-N 3.15Å
465	S	47.9	Very low	51.3	Low	61 Å²	61	127.8 Å²	127.8	43%	0.427	60%	0.601	S	S	.	*	H	α-helix	trans	-69.8	-34.2	176.6	68.2	0	0	0	0	112.5	R461 Q462 C463 R468 R469	R461-S465 WeakPolarHBondContact O-CB 3.28Å; R461-S465 PolarHBondContact O-N 3.17Å; R461-S465 PolarHBondContact O-OG 3.19Å; Q462-S465 PolarHBondContact O-OG 3.1Å; C463-S465 PolarHBondContact O-N 3.33Å; S465-R468 PolarHBondContact O-N 3.17Å; S465-R469 PolarHBondContact O-N 3.36Å; S465-R469 VanDerWaalsContact O-N 3.12Å
466	S	50.3	Low	51.3	Low	55 Å²	55	126.7 Å²	126.7	39%	0.385	59%	0.589	S	S	.	*	H	α-helix	trans	-69	-37.4	175.7	79.3	0	0	0	0	113.1	Q462 C463 R469 K470	Q462-S466 WeakPolarHBondContact O-CB 3.46Å; Q462-S466 PolarHBondContact O-N 2.82Å; C463-S466 PolarHBondContact O-N 3.34Å; C463-S466 PolarHBondContact O-OG 3.08Å; S466-R469 PolarHBondContact O-N 2.92Å; S466-K470 PolarHBondContact O-N 3.1Å; S466-K470 VanDerWaalsContact O-N 3.16Å
467	Q	51.3	Low	51.1	Low	121 Å²	121	132 Å²	132	57%	0.565	61%	0.606	S	S	*	*	H	α-helix	trans	-66.4	-42	173.7	-93.7	-176.5	-29.5	0	0	111.8	C463 R469 K470 Q471	C463-Q467 PolarHBondContact O-N 3.24Å; C463-Q467 VanDerWaalsContact O-N 3.11Å; Q467-R469 VanDerWaalsContact C-N 3.32Å; Q467-R469 PolarHBondContact O-N 3.12Å; Q467-K470 PolarHBondContact O-N 3.13Å; Q467-Q471 PolarHBondContact O-N 3.01Å
468	R	51.3	Low	50.9	Low	200 Å²	200	134.7 Å²	134.7	76%	0.755	62%	0.617	S	S	*	*	H	α-helix	trans	-61.7	-37.1	175.7	-116.1	178.7	179	-172.1	-0.2	112.6	F464 S465 Q471 K472	F464-R468 PolarHBondContact O-N 2.96Å; F464-R468 VanDerWaalsContact O-N 3.15Å; S465-R468 PolarHBondContact O-N 3.17Å; R468-Q471 PolarHBondContact O-N 3.02Å; R468-K472 PolarHBondContact O-N 3.33Å; R468-K472 VanDerWaalsContact O-N 3.12Å
469	R	52.3	Low	50.7	Low	200 Å²	200	132.5 Å²	132.5	76%	0.755	62%	0.615	S	S	*	*	H	α-helix	trans	-67	-42.3	175.2	-76.8	-177.7	177.5	-174.7	-0.7	112.4	S465 S466 Q467 Q471 K472 Q473	S465-R469 PolarHBondContact O-N 3.36Å; S465-R469 VanDerWaalsContact O-N 3.12Å; S466-R469 PolarHBondContact O-N 2.92Å; Q467-R469 VanDerWaalsContact C-N 3.32Å; Q467-R469 PolarHBondContact O-N 3.12Å; R469-Q471 VanDerWaalsContact C-N 3.3Å; R469-Q471 PolarHBondContact O-N 3.09Å; R469-K472 PolarHBondContact O-N 3.16Å; R469-Q473 PolarHBondContact O-N 2.94Å; R469-Q473 VanDerWaalsContact O-N 3.1Å
470	K	50.5	Low	50.4	Low	153 Å²	153	133 Å²	133	67%	0.665	62%	0.618	S	S	*	*	H	α-helix	trans	-65.7	-31.3	176.3	-75	-177.4	176.9	179.2	0	113	S466 Q467 K474	S466-K470 PolarHBondContact O-N 3.1Å; S466-K470 VanDerWaalsContact O-N 3.16Å; Q467-K470 PolarHBondContact O-N 3.13Å; K470-K474 PolarHBondContact O-N 2.66Å
471	Q	55.1	Low	50	Low	137 Å²	137	131.6 Å²	131.6	64%	0.64	62%	0.622	S	S	*	*	H	α-helix	trans	-74.9	-40.9	177.5	-148.1	171.9	6.3	0	0	112.2	Q467 R468 R469 Q473 K474 Q475	Q467-Q471 PolarHBondContact O-N 3.01Å; R468-Q471 PolarHBondContact O-N 3.02Å; R469-Q471 VanDerWaalsContact C-N 3.3Å; R469-Q471 PolarHBondContact O-N 3.09Å; Q471-Q473 VanDerWaalsContact C-N 3.33Å; Q471-Q473 PolarHBondContact O-N 3.23Å; Q471-K474 PolarHBondContact O-N 3.1Å; Q471-Q475 PolarHBondContact O-N 3.02Å
472	K	55.4	Low	49.6	Very low	165 Å²	165	126 Å²	126	72%	0.717	62%	0.619	S	S	*	*	H	α-helix	trans	-62.4	-36.3	172.3	-95.1	-172.1	172.2	-173.1	0	113	R468 R469 Q475 S476	R468-K472 PolarHBondContact O-N 3.33Å; R468-K472 VanDerWaalsContact O-N 3.12Å; R469-K472 PolarHBondContact O-N 3.16Å; K472-Q475 PolarHBondContact O-N 2.9Å; K472-S476 PolarHBondContact O-N 3.39Å
473	Q	52.4	Low	49.2	Very low	133 Å²	133	126.5 Å²	126.5	62%	0.621	63%	0.625	S	S	*	*	H	α-helix	trans	-73.8	-28.7	-179.9	-157.4	174.3	13.9	0	0	113.2	R469 Q471 S476 M477	R469-Q473 PolarHBondContact O-N 2.94Å; R469-Q473 VanDerWaalsContact O-N 3.1Å; Q471-Q473 VanDerWaalsContact C-N 3.33Å; Q471-Q473 PolarHBondContact O-N 3.23Å; Q473-S476 PolarHBondContact O-OG 2.93Å; Q473-S476 VanDerWaalsContact O-OG 3.13Å; Q473-M477 PolarHBondContact O-N 3.22Å
474	K	51.5	Low	48.9	Very low	161 Å²	161	127.9 Å²	127.9	70%	0.7	64%	0.635	S	S	*	*	H	α-helix	trans	-71.9	-34.8	171.3	-90.4	-175.6	172.5	-175.7	0	112.6	K470 Q471 Q478	K470-K474 PolarHBondContact O-N 2.66Å; Q471-K474 PolarHBondContact O-N 3.1Å; K474-Q478 PolarHBondContact O-N 3.45Å
475	Q	52.8	Low	48.3	Very low	125 Å²	125	127.7 Å²	127.7	58%	0.584	64%	0.644	S	S	*	*	H	α-helix	trans	-69.2	-38.4	175.7	-82.5	177.3	-28.3	0	0	112.5	Q471 K472 Q478 Q479	Q471-Q475 PolarHBondContact O-N 3.02Å; K472-Q475 PolarHBondContact O-N 2.9Å; Q475-Q478 PolarHBondContact O-N 2.72Å; Q475-Q479 PolarHBondContact O-N 3.25Å
476	S	51.7	Low	47.7	Very low	51 Å²	51	130.7 Å²	130.7	36%	0.357	66%	0.663	S	S	.	*	H	α-helix	trans	-69.1	-33.3	177.6	66.5	0	0	0	0	113.4	K472 Q473 Q479 M480	K472-S476 PolarHBondContact O-N 3.39Å; Q473-S476 PolarHBondContact O-OG 2.93Å; Q473-S476 VanDerWaalsContact O-OG 3.13Å; S476-Q479 PolarHBondContact O-N 2.58Å; S476-M480 PolarHBondContact O-N 2.84Å
477	M	48.7	Very low	46.7	Very low	147 Å²	147	137.5 Å²	137.5	72%	0.724	69%	0.689	S	S	*	*	H	α-helix	trans	-68.5	-34.3	173.8	-88.5	-172.1	72	0	0	113.1	Q473 Q479	Q473-M477 PolarHBondContact O-N 3.22Å; M477-Q479 VanDerWaalsContact C-N 3.32Å
478	Q	49	Very low	45.7	Very low	148 Å²	148	142.6 Å²	142.6	69%	0.692	70%	0.704	S	S	*	*	H	α-helix	trans	-71.1	-29	175	-78.7	177.4	-41	0	0	112.2	K474 Q475	K474-Q478 PolarHBondContact O-N 3.45Å; Q475-Q478 PolarHBondContact O-N 2.72Å
479	Q	47.6	Very low	44.6	Very low	142 Å²	142	142.4 Å²	142.4	66%	0.664	71%	0.705	S	S	*	*	H	α-helix	trans	-76.5	-28.2	179.7	-139	169.2	4.2	0	0	113.1	Q475 S476 M477	Q475-Q479 PolarHBondContact O-N 3.25Å; S476-Q479 PolarHBondContact O-N 2.58Å; M477-Q479 VanDerWaalsContact C-N 3.32Å
480	M	43.4	Very low	43.5	Very low	152 Å²	152	139.4 Å²	139.4	75%	0.749	71%	0.708	S	S	*	*	H	α-helix	trans	-75.9	-24.9	174.5	-72.4	-171.9	-168.1	0	0	113.7	S476 A482	S476-M480 PolarHBondContact O-N 2.84Å; M480-A482 VanDerWaalsContact C-N 3.28Å; M480-A482 PolarHBondContact O-N 3.1Å
481	A	43.4	Very low	42.4	Very low	78 Å²	78	138.1 Å²	138.1	65%	0.645	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.2	-14.9	177.8	0	0	0	0	0	113.4
482	A	42.1	Very low	41.1	Very low	82 Å²	82	141.5 Å²	141.5	68%	0.678	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-1.7	-176.7	0	0	0	0	0	114.5	M480	M480-A482 VanDerWaalsContact C-N 3.28Å; M480-A482 PolarHBondContact O-N 3.1Å
483	I	43.2	Very low	39.9	Very low	143 Å²	143	142.5 Å²	142.5	73%	0.733	72%	0.721	S	S	*	*	S	Bend	trans	-103.9	1.7	-172.3	-74.4	170.6	0	0	0	113.1
484	S	40.5	Very low	39	Very low	100 Å²	100	141.6 Å²	141.6	70%	0.699	73%	0.727	S	S	*	*			trans	-100.3	81.2	176.5	64.4	0	0	0	0	113.3
485	T	33.1	Very low	38	Very low	127 Å²	127	141.2 Å²	141.2	78%	0.779	73%	0.733	S	S	*	*			trans	-134.2	129.9	156.3	50.4	0	0	0	0	109.7
486	P	37.2	Very low	37	Very low	125 Å²	125	144.1 Å²	144.1	81%	0.812	75%	0.746	S	S	*	*			trans	-87.9	125.9	-176	33.3	-29.3	0	0	0	110.7
487	E	29.4	Very low	36.1	Very low	198 Å²	198	148.8 Å²	148.8	93%	0.925	77%	0.766	S	S	*	*			trans	-110.9	140.1	170.8	-114.6	177.4	177.8	0	0	111.6
488	Y	30.2	Very low	35.3	Very low	228 Å²	228	151 Å²	151	89%	0.894	77%	0.774	S	S	*	*			trans	-72.5	142.6	-164.2	-90.5	-110	0	0	0	114.1
489	Y	26.6	Very low	34.3	Very low	196 Å²	196	147.9 Å²	147.9	77%	0.769	78%	0.781	S	S	*	*			trans	-84.4	128.9	174.4	-170.3	-97.7	0	0	0	111.1	D491	Y489-D491 HydrophobicContact CE1-CB 3.93Å
490	V	30.6	Very low	33.5	Very low	137 Å²	137	145.7 Å²	145.7	83%	0.83	79%	0.787	S	S	*	*			trans	-126.7	120.9	165	-173.6	0	0	0	0	108.8
491	D	26.6	Very low	32.9	Very low	125 Å²	125	145 Å²	145	67%	0.668	79%	0.786	S	S	*	*			trans	-82.6	129.9	-178.2	-159.9	4.4	0	0	0	110	Y489	Y489-D491 HydrophobicContact CE1-CB 3.93Å
492	Y	27	Very low	32.1	Very low	208 Å²	208	147.6 Å²	147.6	82%	0.816	79%	0.793	S	S	*	*			trans	-124.6	112.9	177.9	-164	-92.9	0	0	0	110.7
493	K	30.6	Very low	31.6	Very low	186 Å²	186	149.9 Å²	149.9	81%	0.809	79%	0.793	S	S	*	*			trans	-82.3	133.1	171.6	-93.7	-179.4	172.5	176.7	0	110.9
494	P	33.9	Very low	31	Very low	115 Å²	115	149.9 Å²	149.9	75%	0.747	79%	0.793	S	S	*	*			trans	-99.4	127.3	164.4	31.4	-21.7	0	0	0	111.9
495	N	30.1	Very low	30.5	Very low	153 Å²	153	152.4 Å²	152.4	82%	0.818	80%	0.799	S	S	*	*			trans	-104.6	117	157.1	-85.6	-10.3	0	0	0	107.5
496	H	31.9	Very low	30.4	Very low	185 Å²	185	153 Å²	153	86%	0.856	79%	0.793	S	S	*	*				167.4	145.5	123.1	-116.1	-85.3	0	0	0	111.9
497	I	32.7	Very low	30	Very low	150 Å²	150	156.5 Å²	156.5	77%	0.769	79%	0.791	S	S	*	*			trans	-93.7	141.1	179.3	-60.9	162	0	0	0	108.4
498	E	31.6	Very low	30	Very low	194 Å²	194	150.6 Å²	150.6	91%	0.907	78%	0.783	S	S	*	*				162.6	136.6	126.5	-88.4	-174.9	177.5	0	0	112
499	G	28.1	Very low	29.8	Very low	81 Å²	81	145.8 Å²	145.8	84%	0.835	78%	0.783	S	S	*	*			trans	152.9	77.2	172.6	0	0	0	0	0	113.5
500	A	31.2	Very low	29.8	Very low	96 Å²	96	142.2 Å²	142.2	79%	0.793	79%	0.785	S	S	*	*			trans	-77.7	137.8	177.7	0	0	0	0	0	113.2
501	L	31.4	Very low	29.5	Very low	137 Å²	137	142.7 Å²	142.7	72%	0.717	79%	0.789	S	S	*	*			trans	19	125.8	142.4	-80.6	136.8	0	0	0	120.6	I503	L501-I503 HydrophobicContact CD2-CD1 3.43Å; L501-I503 VanDerWaalsContact CD2-CD1 3.43Å; L501-I503 HydrophobicContact CD2-CG1 3.78Å
502	V	27.4	Very low	29.4	Very low	133 Å²	133	142.4 Å²	142.4	81%	0.806	80%	0.795	S	S	*	*			trans	-135.6	109.8	135.9	-179.4	0	0	0	0	109.1	I504	V502-I504 HydrophobicContact CG1-CG1 4.11Å
503	I	30.4	Very low	29.4	Very low	130 Å²	130	142 Å²	142	67%	0.667	80%	0.801	S	S	*	*			trans	-95.7	129.9	165.1	-67.8	165	0	0	0	106	L501	L501-I503 HydrophobicContact CD2-CD1 3.43Å; L501-I503 VanDerWaalsContact CD2-CD1 3.43Å; L501-I503 HydrophobicContact CD2-CG1 3.78Å
504	I	31	Very low	29.4	Very low	144 Å²	144	142.3 Å²	142.3	74%	0.738	81%	0.805	S	S	*	*			trans	-114.9	116.4	161.9	-61.1	175.5	0	0	0	107	V502	V502-I504 HydrophobicContact CG1-CG1 4.11Å
505	N	30.4	Very low	29.2	Very low	152 Å²	152	146.2 Å²	146.2	81%	0.813	81%	0.813	S	S	*	*			trans	-122.8	135	163.5	-106.4	2.7	0	0	0	107
506	E	29.9	Very low	29.4	Very low	140 Å²	140	145 Å²	145	65%	0.654	81%	0.814	S	S	*	*			trans	-151.5	127	170.2	-96.3	-164.7	160.6	0	0	104.6
507	Y	29.8	Very low	29.3	Very low	198 Å²	198	141.7 Å²	141.7	78%	0.776	81%	0.811	S	S	*	*			cis	-145.1	143.8	8.7	-79.7	-94.5	0	0	0	106.4
508	G	29.7	Very low	29.3	Very low	74 Å²	74	146.3 Å²	146.3	76%	0.763	82%	0.819	S	S	*	*				88	108.2	56.5	0	0	0	0	0	110
509	S	26	Very low	29.4	Very low	127 Å²	127	146.2 Å²	146.2	89%	0.888	82%	0.819	S	S	*	*				-154.7	143.7	79.4	56.7	0	0	0	0	114.6
510	C	25.1	Very low	29.4	Very low	121 Å²	121	148.6 Å²	148.6	82%	0.818	82%	0.821	S	S	*	*			trans	-104.9	159.8	175.9	-69.6	0	0	0	0	111.2
511	T	24.4	Very low	29.3	Very low	148 Å²	148	153.1 Å²	153.1	91%	0.908	83%	0.826	S	S	*	*			trans	-126.9	125.6	147.8	42.1	0	0	0	0	109.6
512	C	25.3	Very low	29.6	Very low	119 Å²	119	156.9 Å²	156.9	80%	0.804	85%	0.854	S	S	*	*			trans	-91.2	145.3	178.7	-82.8	0	0	0	0	111.3
513	Q	26.9	Very low	29.7	Very low	200 Å²	200	158.1 Å²	158.1	94%	0.935	86%	0.857	S	S	*	*			trans	-124.4	119.5	151.5	-85.7	-174.2	-24.5	0	0	109.2
514	Q	30.3	Very low	29.6	Very low	192 Å²	192	159.6 Å²	159.6	90%	0.897	87%	0.867	S	S	*	*	P	Polyproline II helix	trans	-78.7	134.7	172.1	-83.3	173	-34.5	0	0	110.3
515	Q	28.9	Very low	29.6	Very low	196 Å²	196	160.4 Å²	160.4	92%	0.916	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-100.3	139.9	156.7	-79.9	-175.6	-27	0	0	109.4
516	P	35.1	Very low	29.5	Very low	127 Å²	127	160.9 Å²	160.9	83%	0.825	88%	0.877	S	S	*	*	P	Polyproline II helix	trans	-103.7	129.6	165.3	33.2	-23.2	0	0	0	111.4
517	S	30.6	Very low	29.5	Very low	116 Å²	116	162.3 Å²	162.3	81%	0.811	89%	0.891	S	S	*	*	P	Polyproline II helix	trans	-83.1	133.5	161.3	54.2	0	0	0	0	110.3
518	R	31.4	Very low	29.5	Very low	248 Å²	248	159.9 Å²	159.9	94%	0.936	90%	0.899	S	S	*	*			trans	-150.3	117.9	153.7	-96.7	-171.5	174.4	-178.7	-3	110
519	E	33.9	Very low	29.5	Very low	192 Å²	192	166 Å²	166	90%	0.897	91%	0.909	S	S	*	*			trans	-84.4	142.3	158.5	-70.8	175.7	157.9	0	0	109.2
520	C	27.6	Very low	29.7	Very low	131 Å²	131	169 Å²	169	89%	0.885	91%	0.91	S	S	*	*			trans	-146.5	136.4	153.9	-84.3	0	0	0	0	108.4
521	E	30.8	Very low	30.1	Very low	190 Å²	190	173 Å²	173	89%	0.888	92%	0.918	S	S	*	*			trans	-62.7	140.2	170.3	-63.6	170.6	139.8	0	0	112.5
522	V	36.1	Very low	30.6	Very low	217 Å²	217	175.3 Å²	175.3	100%	1.315	92%	0.919	S	S	*	*				-156	0	113.1	176.1	0	0	0	0	107.8

Retrieved 522 of 522 residues in 111.9 ms (Link to these results)

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