A0A087XXP5_POEFO Loading...

Proteasome subunit beta

Non-catalytic component of the proteasome.

AlphaFold DB , UniProt , Accession A0A087XXP5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 259 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.2	Very low	46.3	Very low	245 Å²	245	149.9 Å²	149.9	100%	1.207	79%	0.791	S	S	*	*				0	98.4	0	-85.6	176.6	168.8	0	0	106.5
2	E	31.9	Very low	47	Very low	200 Å²	200	149.8 Å²	149.8	94%	0.935	78%	0.782	S	S	*	*			trans	-157.6	144	165.8	-115.5	166.4	-165.1	0	0	109.1
3	S	37.5	Very low	47.6	Very low	114 Å²	114	149.2 Å²	149.2	80%	0.797	78%	0.781	S	S	*	*			trans	-78	131.1	-144.4	44.9	0	0	0	0	114.4	G5	S3-G5 PolarHBondContact O-N 3.21Å
4	S	46.6	Very low	48.5	Very low	123 Å²	123	140.5 Å²	140.5	86%	0.86	75%	0.746	S	S	*	*			trans	-69.4	80.2	162.5	53.6	0	0	0	0	110.1
5	G	44.8	Very low	49.2	Very low	60 Å²	60	133 Å²	133	62%	0.619	71%	0.708	S	S	*	*			trans	-86.5	107.8	167.5	0	0	0	0	0	110	S3 K7	S3-G5 PolarHBondContact O-N 3.21Å; G5-K7 PolarHBondContact O-N 3.49Å
6	V	46.2	Very low	50	Low	126 Å²	126	135.2 Å²	135.2	76%	0.764	71%	0.709	S	S	*	*			trans	-63.8	103.2	168.8	179.1	0	0	0	0	107.8	L8	V6-L8 HydrophobicContact CG1-CD2 4.46Å; V6-L8 HydrophobicContact CG1-CG 4.29Å; V6-L8 PolarHBondContact O-N 3.47Å; V6-L8 VanDerWaalsContact O-N 3.13Å
7	K	48.5	Very low	50.1	Low	184 Å²	184	135.5 Å²	135.5	80%	0.8	72%	0.722	S	S	*	*			trans	-74.1	99.4	167.3	-81.9	-174.2	177.1	179	0	108.2	G5 N9	G5-K7 PolarHBondContact O-N 3.49Å; K7-N9 PolarHBondContact O-N 3.26Å
8	L	44.6	Very low	50.7	Low	138 Å²	138	132.7 Å²	132.7	72%	0.723	73%	0.73	S	S	*	*			trans	-70.4	85.9	164	-72.8	166.9	0	0	0	108.2	V6 F10	V6-L8 HydrophobicContact CG1-CD2 4.46Å; V6-L8 HydrophobicContact CG1-CG 4.29Å; V6-L8 PolarHBondContact O-N 3.47Å; V6-L8 VanDerWaalsContact O-N 3.13Å; L8-F10 PolarHBondContact O-N 3.32Å
9	N	52.5	Low	51.2	Low	94 Å²	94	133.5 Å²	133.5	50%	0.503	73%	0.728	S	S	.	*			trans	-71.1	87.5	167.8	-76.8	-8.6	0	0	0	107.7	K7 W11 E12	K7-N9 PolarHBondContact O-N 3.26Å; N9-W11 PolarHBondContact O-N 2.65Å; N9-E12 HydrophobicContact CB-CB 4.38Å; N9-E12 PolarHBondContact ND2-OE1 2.74Å
10	F	49.9	Very low	51.8	Low	183 Å²	183	137.2 Å²	137.2	80%	0.803	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-16	-175	-130.7	-92.9	0	0	0	113	L8	L8-F10 PolarHBondContact O-N 3.32Å
11	W	59.1	Low	52.2	Low	182 Å²	182	135.7 Å²	135.7	69%	0.689	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-150.3	41.7	-162.1	-110.3	66.1	0	0	0	114.3	N9 N13 P15	N9-W11 PolarHBondContact O-N 2.65Å; W11-N13 VanDerWaalsContact C-N 3.25Å; W11-N13 PolarHBondContact O-N 2.96Å; W11-P15 HydrophobicContact CH2-CG 4.4Å; W11-P15 HydrophobicContact CZ3-CG 4.47Å; W11-P15 WeakPolarHBondContact CZ3-O 3.32Å
12	E	54.7	Low	52.8	Low	148 Å²	148	129.3 Å²	129.3	69%	0.692	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.6	-19.9	-177.8	-143.4	164.6	-142.1	0	0	113.6	N9	N9-E12 HydrophobicContact CB-CB 4.38Å; N9-E12 PolarHBondContact ND2-OE1 2.74Å
13	N	55.1	Low	53.8	Low	142 Å²	142	127.1 Å²	127.1	76%	0.759	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.6	15.6	-178.9	-67.5	-45.1	0	0	0	114.2	W11 Y21	W11-N13 VanDerWaalsContact C-N 3.25Å; W11-N13 PolarHBondContact O-N 2.96Å; N13-Y21 WeakPolarHBondContact O-CE2 3.2Å
14	G	60.2	Low	54.2	Low	28 Å²	28	127.5 Å²	127.5	29%	0.289	69%	0.688	S	S	.	*	S	Bend	trans	-77.9	159.7	175.7	0	0	0	0	0	112.4
15	P	58.8	Low	54.1	Low	28 Å²	28	124.9 Å²	124.9	18%	0.182	68%	0.681	C	S	.	*	P	Polyproline II helix	trans	-70.4	147.8	178.7	36.2	-33.9	0	0	0	109.3	W11 Q19 Y21	W11-P15 HydrophobicContact CH2-CG 4.4Å; W11-P15 HydrophobicContact CZ3-CG 4.47Å; W11-P15 WeakPolarHBondContact CZ3-O 3.32Å; P15-Q19 HydrophobicContact CB-CB 4.23Å; P15-Q19 WeakPolarHBondContact CB-O 3.5Å; P15-Y21 HydrophobicContact CB-CD2 4.29Å; P15-Y21 HydrophobicContact CG-CD2 3.93Å; P15-Y21 HydrophobicContact CG-CG 4.21Å
16	K	62.5	Low	54.1	Low	168 Å²	168	127.5 Å²	127.5	73%	0.73	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-60.5	147.8	172.7	-65.5	-178.8	-178.4	178.4	0	109.8	G18 Q19	K16-G18 PolarHBondContact O-N 2.89Å; K16-G18 VanDerWaalsContact O-N 3.12Å; K16-Q19 PolarHBondContact O-N 3.28Å
17	P	51.8	Low	54.2	Low	141 Å²	141	127.2 Å²	127.2	92%	0.916	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.2	122.1	178.3	-25.8	33.7	0	0	0	111.1
18	G	60.2	Low	53.8	Low	84 Å²	84	129 Å²	129	87%	0.866	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	102	-1.8	-176.8	0	0	0	0	0	115.9	K16	K16-G18 PolarHBondContact O-N 2.89Å; K16-G18 VanDerWaalsContact O-N 3.12Å
19	Q	61	Low	53.8	Low	149 Å²	149	129.4 Å²	129.4	70%	0.696	70%	0.699	S	S	*	*	S	Bend	trans	-111.5	145.6	170.2	-68.5	-153.1	-23.4	0	0	112.6	P15 K16	P15-Q19 HydrophobicContact CB-CB 4.23Å; P15-Q19 WeakPolarHBondContact CB-O 3.5Å; K16-Q19 PolarHBondContact O-N 3.28Å
20	F	62.3	Low	53.2	Low	207 Å²	207	127.8 Å²	127.8	91%	0.908	71%	0.705	S	S	*	*			trans	-75.9	131.2	176.6	-69.3	-75.7	0	0	0	111
21	Y	61	Low	52.8	Low	105 Å²	105	128.3 Å²	128.3	41%	0.412	71%	0.709	S	S	.	*			trans	-76.6	133.5	174.5	-163.8	-126.4	0	0	0	110.9	N13 P15 F23	N13-Y21 WeakPolarHBondContact O-CE2 3.2Å; P15-Y21 HydrophobicContact CB-CD2 4.29Å; P15-Y21 HydrophobicContact CG-CD2 3.93Å; P15-Y21 HydrophobicContact CG-CG 4.21Å; Y21-F23 AromaticContact CD1-CD1 3.69Å; Y21-F23 HydrophobicContact CD1-CD1 3.69Å; Y21-F23 HydrophobicContact CD1-CD2 4.08Å; Y21-F23 AromaticContact CD1-CE1 3.67Å; Y21-F23 HydrophobicContact CD1-CE1 3.67Å; Y21-F23 HydrophobicContact CD1-CE2 4.07Å; Y21-F23 AromaticContact CD1-CG 3.9Å; Y21-F23 HydrophobicContact CD1-CG 3.9Å; Y21-F23 AromaticContact CD1-CZ 3.86Å; Y21-F23 HydrophobicContact CD1-CZ 3.86Å; Y21-F23 AromaticContact CE1-CD1 3.59Å; Y21-F23 HydrophobicContact CE1-CD1 3.59Å; Y21-F23 AromaticContact CE1-CE1 3.79Å; Y21-F23 HydrophobicContact CE1-CE1 3.79Å; Y21-F23 HydrophobicContact CE1-CG 4.09Å; Y21-F23 HydrophobicContact CE1-CZ 4.45Å
22	S	58.8	Low	51.7	Low	111 Å²	111	123.1 Å²	123.1	78%	0.776	71%	0.712	S	S	*	*			trans	-100.7	111	166.3	-69.2	0	0	0	0	109
23	F	53.7	Low	51.4	Low	155 Å²	155	123.1 Å²	123.1	68%	0.68	72%	0.722	S	S	*	*			trans	-67.3	132.7	178.1	-69.4	-85.9	0	0	0	110.7	Y21 G25	Y21-F23 AromaticContact CD1-CD1 3.69Å; Y21-F23 HydrophobicContact CD1-CD1 3.69Å; Y21-F23 HydrophobicContact CD1-CD2 4.08Å; Y21-F23 AromaticContact CD1-CE1 3.67Å; Y21-F23 HydrophobicContact CD1-CE1 3.67Å; Y21-F23 HydrophobicContact CD1-CE2 4.07Å; Y21-F23 AromaticContact CD1-CG 3.9Å; Y21-F23 HydrophobicContact CD1-CG 3.9Å; Y21-F23 AromaticContact CD1-CZ 3.86Å; Y21-F23 HydrophobicContact CD1-CZ 3.86Å; Y21-F23 AromaticContact CE1-CD1 3.59Å; Y21-F23 HydrophobicContact CE1-CD1 3.59Å; Y21-F23 AromaticContact CE1-CE1 3.79Å; Y21-F23 HydrophobicContact CE1-CE1 3.79Å; Y21-F23 HydrophobicContact CE1-CG 4.09Å; Y21-F23 HydrophobicContact CE1-CZ 4.45Å; F23-G25 PolarHBondContact O-N 2.76Å
24	P	46.3	Very low	50.9	Low	121 Å²	121	121.4 Å²	121.4	79%	0.786	72%	0.721	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.4	100.4	175.6	29.4	-29	0	0	0	108.5
25	G	45.1	Very low	50.5	Low	69 Å²	69	126.5 Å²	126.5	71%	0.711	75%	0.751	S	S	*	*	T	Hydrogen-bonded Turn	trans	168.9	-14.2	179.6	0	0	0	0	0	115.7	F23	F23-G25 PolarHBondContact O-N 2.76Å
26	T	43.9	Very low	50.2	Low	115 Å²	115	126.8 Å²	126.8	71%	0.706	76%	0.759	S	S	*	*			trans	-103.8	60.7	177.8	22.6	0	0	0	0	112.5	R28	T26-R28 PolarHBondContact O-N 3.39Å; T26-R28 VanDerWaalsContact O-N 3.08Å
27	S	49.4	Very low	49.6	Very low	119 Å²	119	124 Å²	124	83%	0.832	76%	0.758	S	S	*	*			trans	-76.3	76.6	148.4	52.5	0	0	0	0	108.2
28	R	39.7	Very low	49.5	Very low	221 Å²	221	123.9 Å²	123.9	83%	0.834	75%	0.754	S	S	*	*			trans	-105.3	100.1	164.1	-88.1	-174.8	162.6	178.1	-4.7	108.3	T26	T26-R28 PolarHBondContact O-N 3.39Å; T26-R28 VanDerWaalsContact O-N 3.08Å
29	T	43.3	Very low	49.2	Very low	147 Å²	147	129 Å²	129	90%	0.902	75%	0.748	S	S	*	*			trans	-56.4	128.9	154.3	37.8	0	0	0	0	108.9
30	G	40.7	Very low	49	Very low	61 Å²	61	128 Å²	128	63%	0.629	74%	0.743	S	S	*	*	S	Bend	trans	102.4	115.7	160.6	0	0	0	0	0	117.3
31	H	42.3	Very low	48.7	Very low	194 Å²	194	119.9 Å²	119.9	90%	0.898	71%	0.71	S	S	*	*			trans	61.2	70	149.9	-58.9	84.6	0	0	0	117.8	T33	H31-T33 PolarHBondContact O-N 3.23Å
32	G	35.7	Very low	49.3	Very low	72 Å²	72	119.9 Å²	119.9	74%	0.742	72%	0.717	S	S	*	*			trans	-75.3	107.7	153.7	0	0	0	0	0	110.3	S34	G32-S34 PolarHBondContact O-N 3.14Å
33	T	48.3	Very low	50.5	Low	148 Å²	148	119.8 Å²	119.8	91%	0.908	71%	0.707	S	S	*	*			trans	-61.8	82.3	155.7	30.8	0	0	0	0	108.5	H31 C35	H31-T33 PolarHBondContact O-N 3.23Å; T33-C35 PolarHBondContact O-N 3.12Å
34	S	44.1	Very low	52.3	Low	106 Å²	106	114.3 Å²	114.3	74%	0.741	69%	0.688	S	S	*	*			trans	-75.8	101.4	165.4	54.4	0	0	0	0	107.7	G32 G36	G32-S34 PolarHBondContact O-N 3.14Å; S34-G36 PolarHBondContact O-N 3.17Å
35	C	52	Low	54.5	Low	135 Å²	135	113.3 Å²	113.3	91%	0.912	67%	0.674	S	S	*	*			trans	-68.8	82.4	151.7	-173.6	0	0	0	0	105.9	T33	T33-C35 PolarHBondContact O-N 3.12Å
36	G	53.1	Low	57	Low	35 Å²	35	111.2 Å²	111.2	36%	0.361	65%	0.647	S	S	.	*			trans	-66.9	168.6	174.2	0	0	0	0	0	111.1	S34	S34-G36 PolarHBondContact O-N 3.17Å
37	P	48.7	Very low	59.5	Low	109 Å²	109	107.6 Å²	107.6	71%	0.708	63%	0.625	S	S	*	*	S	Bend	trans	-53.4	153.5	173.6	25.1	-34.2	0	0	0	110.2	R39	P37-R39 WeakPolarHBondContact O-CG 3.45Å; P37-R39 PolarHBondContact O-N 3.07Å
38	V	50.5	Low	61.7	Low	138 Å²	138	102.1 Å²	102.1	84%	0.836	59%	0.588	S	S	*	*			trans	-50.2	100.7	176.6	179.2	0	0	0	0	108.8
39	R	52.6	Low	64.2	Low	193 Å²	193	92.8 Å²	92.8	73%	0.728	56%	0.555	S	S	*	*			trans	-86.1	121.7	175	-70.6	-175.4	-179.4	-175.6	-0.3	106.3	P37	P37-R39 WeakPolarHBondContact O-CG 3.45Å; P37-R39 PolarHBondContact O-N 3.07Å
40	H	56.9	Low	66.7	Low	126 Å²	126	86.1 Å²	86.1	58%	0.583	51%	0.514	S	S	*	.			trans	-55.8	153.7	168.4	-65	-71.9	0	0	0	110.5	L42 N144	H40-L42 PolarHBondContact O-N 3.33Å; H40-N144 WeakPolarHBondContact CB-ND2 3.4Å; H40-N144 WeakPolarHBondContact CB-OD1 3.44Å
41	T	57.6	Low	69.5	Low	37 Å²	37	83.2 Å²	83.2	23%	0.227	49%	0.485	C	S	.	.			trans	-51.5	101.2	-172.9	-46.8	0	0	0	0	112	N43 D99	T41-N43 WeakPolarHBondContact CG2-O 3.43Å; T41-D99 PolarHBondContact OG1-OD1 2.8Å
42	L	72.3	Confident	72.1	Confident	105 Å²	105	74 Å²	74	55%	0.55	44%	0.442	S	S	.	.	S	Bend	trans	-90.7	-24.6	171.4	-66.5	175.6	0	0	0	111.7	H40 W147	H40-L42 PolarHBondContact O-N 3.33Å; L42-W147 WeakPolarHBondContact O-CZ3 3.23Å
43	N	83.9	Confident	75.1	Confident	109 Å²	109	70.6 Å²	70.6	58%	0.583	41%	0.406	S	S	*	.	S	Bend	trans	-140.2	139.1	178.5	-68.7	-48.4	0	0	0	108.9	T41 M45	T41-N43 WeakPolarHBondContact CG2-O 3.43Å; N43-M45 HydrophobicContact CB-CE 4.06Å; N43-M45 WeakPolarHBondContact O-CE 3.35Å
44	P	91.7	Very high	77.5	Confident	41 Å²	41	63.5 Å²	63.5	27%	0.266	36%	0.363	S	S	.	.			trans	-69.1	143.2	176.7	31.8	-37	0	0	0	110.9	T47 D96 W147	P44-T47 HydrophobicContact CB-CG2 3.66Å; P44-T47 HydrophobicContact CG-CG2 4.26Å; P44-D96 WeakPolarHBondContact CA-OD1 3.45Å; P44-D96 HydrophobicContact CB-CB 3.93Å; P44-W147 HydrophobicContact CB-CB 4.4Å; P44-W147 HydrophobicContact CB-CG 4.12Å; P44-W147 HydrophobicContact CG-CG 4.23Å
45	M	93.4	Very high	80	Confident	100 Å²	100	60.9 Å²	60.9	49%	0.493	34%	0.338	S	S	.	.			trans	-106	-64.5	-176	-69.9	-67.5	109	0	0	112.2	N43 Y70 D96	N43-M45 HydrophobicContact CB-CE 4.06Å; N43-M45 WeakPolarHBondContact O-CE 3.35Å; M45-Y70 HydrophobicContact CB-CE2 4.39Å; M45-Y70 VanDerWaalsContact O-CD2 3.28Å; M45-Y70 WeakPolarHBondContact O-CD2 3.35Å; M45-Y70 HydrophobicContact SD-CE2 4.26Å; M45-D96 PolarHBondContact N-OD1 3.03Å
46	V	96.8	Very high	82.2	Confident	25 Å²	25	55.1 Å²	55.1	15%	0.152	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	117.1	177.5	177.2	0	0	0	0	106.9	S69 Y70 F76 Y97	V46-S69 CarbonylContact C-O 3.59Å; V46-S69 WeakPolarHBondContact CA-O 3.39Å; V46-Y70 HydrophobicContact CG2-CD2 4.1Å; V46-F76 HydrophobicContact CG1-CD2 3.95Å; V46-F76 HydrophobicContact CG1-CE2 4.29Å; V46-F76 HydrophobicContact CG2-CE2 4.06Å; V46-Y97 WeakPolarHBondContact O-CB 3.44Å; V46-Y97 PolarHBondContact O-N 2.82Å
47	T	96.6	Very high	84.2	Confident	38 Å²	38	57.4 Å²	57.4	23%	0.233	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	141.7	-172	57.1	0	0	0	0	112.9	P44 S69 G95	P44-T47 HydrophobicContact CB-CG2 3.66Å; P44-T47 HydrophobicContact CG-CG2 4.26Å; T47-S69 PolarHBondContact N-O 3.42Å; T47-S69 PolarHBondContact O-N 3.45Å; T47-G95 VanDerWaalsContact CA-O 3.23Å; T47-G95 WeakPolarHBondContact CA-O 3.32Å
48	G	95.1	Very high	86.4	Confident	5 Å²	5	53.9 Å²	53.9	5%	0.052	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	146.7	160.4	0	0	0	0	0	109.9	G95	G48-G95 PolarHBondContact N-O 2.88Å; G48-G95 PolarHBondContact O-N 3.32Å
49	T	92.6	Very high	88.6	Confident	25 Å²	25	47.3 Å²	47.3	15%	0.153	25%	0.248	C	C	.	.			trans	-96.1	-78.3	-168.7	53.7	0	0	0	0	113.5	S94 R222	T49-S94 WeakPolarHBondContact O-CB 3.44Å; T49-R222 HydrophobicContact CG2-CB 3.38Å; T49-R222 HydrophobicContact CG2-CG 4.27Å
50	S	96.9	Very high	90.8	Very high	7 Å²	7	38.1 Å²	38.1	5%	0.049	21%	0.214	C	C	.	.			trans	-110.9	136	-166.5	-56.9	0	0	0	0	110.6	R81 T179 F181 G182	S50-R81 PolarHBondContact O-NH1 2.82Å; S50-R81 PolarHBondContact O-NH2 3.28Å; S50-T179 PolarHBondContact OG-O 3.04Å; S50-F181 PolarHBondContact OG-N 2.98Å; S50-G182 PolarHBondContact OG-N 2.95Å
51	V	98.1	Very high	92.7	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.4	168	179.5	0	0	0	0	106.8	I62 A63 A64 A93 V151 A178 T179	V51-I62 HydrophobicContact CG1-CG2 3.51Å; V51-A63 WeakPolarHBondContact CA-O 3.21Å; V51-A64 HydrophobicContact CG2-CB 4.2Å; V51-A93 WeakPolarHBondContact CG2-O 3.31Å; V51-V151 HydrophobicContact CB-CG2 4.3Å; V51-V151 HydrophobicContact CG1-CB 4.16Å; V51-V151 HydrophobicContact CG1-CG2 4.03Å; V51-A178 CarbonylContact O-C 3.59Å; V51-A178 VanDerWaalsContact O-CA 3.31Å; V51-A178 WeakPolarHBondContact O-CA 3.31Å; V51-T179 HydrophobicContact CB-CG2 4.31Å; V51-T179 PolarHBondContact N-OG1 3.16Å; V51-T179 PolarHBondContact O-N 3.13Å
52	L	98.4	Very high	94.7	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	142.3	-179.7	-54.7	-176.3	0	0	0	109.5	I62 A63 V177 A178 A186 M190 C212 L213 L216	L52-I62 CarbonylContact O-C 3.59Å; L52-I62 WeakPolarHBondContact O-CA 3.39Å; L52-I62 WeakPolarHBondContact O-CG2 3.35Å; L52-A63 PolarHBondContact N-O 2.98Å; L52-A63 PolarHBondContact O-N 3.08Å; L52-V177 CarbonylContact C-O 3.56Å; L52-A178 HydrophobicContact CD2-CB 3.59Å; L52-A186 HydrophobicContact CD1-CB 4.04Å; L52-A186 HydrophobicContact CD2-CB 3.58Å; L52-A186 HydrophobicContact CG-CB 4.49Å; L52-M190 HydrophobicContact CB-SD 4.31Å; L52-M190 HydrophobicContact CD2-CE 4.2Å; L52-C212 HydrophobicContact CD1-CB 3.63Å; L52-L213 HydrophobicContact CD1-CD2 4.04Å; L52-L213 HydrophobicContact CD1-CG 4.11Å; L52-L216 HydrophobicContact CD1-CD1 3.96Å; L52-L216 HydrophobicContact CD2-CD1 4.17Å; L52-L216 HydrophobicContact CG-CD1 4.3Å
53	G	98.1	Very high	95.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	135.7	177.8	0	0	0	0	0	111.8	I61 T176 V177	G53-I61 CarbonylContact C-O 3.51Å; G53-I61 VanDerWaalsContact CA-O 3.25Å; G53-I61 WeakPolarHBondContact CA-O 3.49Å; G53-T176 CarbonylContact O-C 3.53Å; G53-T176 WeakPolarHBondContact O-CA 3.35Å; G53-V177 PolarHBondContact N-O 3.39Å; G53-V177 PolarHBondContact O-N 3.38Å
54	V	98.1	Very high	96.6	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	130.8	179.7	-178.6	0	0	0	0	109.7	I61 T176 M190 V194 A205 L208 V209	V54-I61 PolarHBondContact N-O 3.26Å; V54-I61 PolarHBondContact O-N 2.89Å; V54-T176 HydrophobicContact CG1-CG2 4.42Å; V54-T176 HydrophobicContact CG2-CG2 4.33Å; V54-M190 HydrophobicContact CG2-CB 4.5Å; V54-M190 HydrophobicContact CG2-CG 4.16Å; V54-M190 HydrophobicContact CG2-SD 3.44Å; V54-M190 WeakPolarHBondContact CG2-SD 3.42Å; V54-V194 HydrophobicContact CG1-CG2 4.22Å; V54-A205 HydrophobicContact CG1-CB 4.38Å; V54-L208 HydrophobicContact CG1-CD2 4.47Å; V54-V209 HydrophobicContact CB-CG2 4.28Å; V54-V209 HydrophobicContact CG2-CG2 3.74Å
55	K	97.3	Very high	96.8	Very high	50 Å²	50	18.6 Å²	18.6	22%	0.217	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	142.8	168.9	-63	-168.5	-176.3	-168.2	0	110.3	V60 S160 L162 P175	K55-V60 HydrophobicContact CG-CG2 4.13Å; K55-S160 WeakPolarHBondContact CE-O 3.5Å; K55-S160 PolarHBondContact NZ-O 3.34Å; K55-L162 HydrophobicContact CD-CB 4.2Å; K55-L162 VanDerWaalsContact CE-CB 3.42Å; K55-L162 VanDerWaalsContact CE-N 3.26Å; K55-L162 HydrophobicContact CG-CB 3.73Å; K55-L162 HydrophobicContact CG-CD2 4.18Å; K55-P175 PolarHBondContact N-O 2.77Å
56	F	96.9	Very high	97	Very high	14 Å²	14	14.1 Å²	14.1	6%	0.061	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	169	171.9	70.5	-91.7	0	0	0	109.8	G58 G59 I61 I200 K202 A205 I231 T233	F56-G58 PolarHBondContact O-N 3.13Å; F56-G59 VanDerWaalsContact CD1-C 3.49Å; F56-G59 WeakPolarHBondContact CD1-O 3.49Å; F56-G59 PolarHBondContact N-O 3.24Å; F56-G59 PolarHBondContact O-N 3.39Å; F56-G59 VanDerWaalsContact O-N 3.12Å; F56-I61 HydrophobicContact CD1-CD1 4.2Å; F56-I61 HydrophobicContact CD1-CG1 3.68Å; F56-I61 HydrophobicContact CE1-CD1 4.13Å; F56-I61 HydrophobicContact CE1-CG1 3.47Å; F56-I61 VanDerWaalsContact CE1-CG1 3.47Å; F56-I200 HydrophobicContact CB-CG2 4.41Å; F56-I200 WeakPolarHBondContact CB-O 3.38Å; F56-K202 HydrophobicContact CD2-CB 3.84Å; F56-K202 HydrophobicContact CE2-CB 3.57Å; F56-K202 HydrophobicContact CE2-CD 4.37Å; F56-K202 HydrophobicContact CE2-CG 3.94Å; F56-K202 HydrophobicContact CZ-CB 4.11Å; F56-K202 HydrophobicContact CZ-CD 4.31Å; F56-K202 HydrophobicContact CZ-CG 3.94Å; F56-A205 HydrophobicContact CB-CB 3.76Å; F56-A205 HydrophobicContact CD1-CB 4.26Å; F56-A205 HydrophobicContact CG-CB 4.26Å; F56-I231 HydrophobicContact CE1-CG2 4.06Å; F56-I231 HydrophobicContact CZ-CG2 3.97Å; F56-T233 HydrophobicContact CE2-CG2 4.4Å; F56-T233 HydrophobicContact CZ-CG2 3.85Å
57	T	95.8	Very high	97	Very high	83 Å²	83	13.3 Å²	13.3	51%	0.509	8%	0.083	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	111.8	-179.6	-49.5	0	0	0	0	109.8	D199 I200	T57-D199 PolarHBondContact OG1-OD1 3.33Å; T57-I200 PolarHBondContact N-O 3.46Å; T57-I200 PolarHBondContact OG1-O 2.97Å
58	G	94.8	Very high	97.1	Very high	35 Å²	35	11.5 Å²	11.5	36%	0.361	7%	0.072	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.9	9	-178.5	0	0	0	0	0	115.7	F56	F56-G58 PolarHBondContact O-N 3.13Å
59	G	97	Very high	97.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	176.2	-165.7	175.7	0	0	0	0	0	116.7	F56 S160 V232	F56-G59 VanDerWaalsContact CD1-C 3.49Å; F56-G59 WeakPolarHBondContact CD1-O 3.49Å; F56-G59 PolarHBondContact N-O 3.24Å; F56-G59 PolarHBondContact O-N 3.39Å; F56-G59 VanDerWaalsContact O-N 3.12Å; G59-S160 PolarHBondContact N-OG 3.32Å; G59-S160 PolarHBondContact O-OG 2.95Å; G59-V232 CarbonylContact C-O 3.57Å; G59-V232 WeakPolarHBondContact CA-O 3.47Å
60	V	98.1	Very high	97.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	142.6	177.4	-178.9	0	0	0	0	110.1	K55 I62 F161 L162 V232	K55-V60 HydrophobicContact CG-CG2 4.13Å; V60-I62 HydrophobicContact CG1-CG1 4.45Å; V60-F161 WeakPolarHBondContact CG2-O 3.31Å; V60-L162 HydrophobicContact CG1-CB 4.31Å; V60-L162 HydrophobicContact CG1-CD1 3.9Å; V60-L162 HydrophobicContact CG1-CG 4.49Å; V60-V232 HydrophobicContact CB-CG1 3.71Å; V60-V232 HydrophobicContact CG2-CG1 4.47Å; V60-V232 PolarHBondContact N-O 2.94Å; V60-V232 PolarHBondContact O-N 2.84Å
61	I	98.3	Very high	97	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	134.5	172.1	-59.9	-172.4	0	0	0	108.8	G53 V54 F56 A205 R206 V209 I229 A230 I231	G53-I61 CarbonylContact C-O 3.51Å; G53-I61 VanDerWaalsContact CA-O 3.25Å; G53-I61 WeakPolarHBondContact CA-O 3.49Å; V54-I61 PolarHBondContact N-O 3.26Å; V54-I61 PolarHBondContact O-N 2.89Å; F56-I61 HydrophobicContact CD1-CD1 4.2Å; F56-I61 HydrophobicContact CD1-CG1 3.68Å; F56-I61 HydrophobicContact CE1-CD1 4.13Å; F56-I61 HydrophobicContact CE1-CG1 3.47Å; F56-I61 VanDerWaalsContact CE1-CG1 3.47Å; I61-A205 HydrophobicContact CD1-CB 3.87Å; I61-R206 HydrophobicContact CD1-CB 4.03Å; I61-V209 HydrophobicContact CG2-CG2 4.28Å; I61-I229 HydrophobicContact CG2-CG2 3.48Å; I61-I229 VanDerWaalsContact CG2-CG2 3.48Å; I61-A230 CarbonylContact C-O 3.5Å; I61-A230 WeakPolarHBondContact CA-O 3.35Å; I61-I231 HydrophobicContact CD1-CD1 4.31Å; I61-I231 HydrophobicContact CD1-CG1 4.37Å; I61-I231 HydrophobicContact CG1-CG1 4.11Å; I61-I231 HydrophobicContact CG1-CG2 4.24Å
62	I	98.4	Very high	96.7	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	138.1	167.3	-61.5	-178.2	0	0	0	108.8	V51 L52 V60 L82 I90 V151 L162 I229 A230	V51-I62 HydrophobicContact CG1-CG2 3.51Å; L52-I62 CarbonylContact O-C 3.59Å; L52-I62 WeakPolarHBondContact O-CA 3.39Å; L52-I62 WeakPolarHBondContact O-CG2 3.35Å; V60-I62 HydrophobicContact CG1-CG1 4.45Å; I62-L82 HydrophobicContact CG2-CD2 3.67Å; I62-I90 HydrophobicContact CB-CD1 3.93Å; I62-I90 HydrophobicContact CD1-CD1 3.75Å; I62-I90 HydrophobicContact CD1-CG1 3.84Å; I62-I90 HydrophobicContact CG1-CD1 3.68Å; I62-I90 HydrophobicContact CG1-CG1 4.34Å; I62-V151 HydrophobicContact CD1-CB 4.46Å; I62-V151 HydrophobicContact CD1-CG1 3.92Å; I62-V151 HydrophobicContact CG1-CG1 4.47Å; I62-L162 HydrophobicContact CD1-CD1 4.39Å; I62-L162 HydrophobicContact CG1-CD1 4.44Å; I62-I229 CarbonylContact O-C 3.53Å; I62-A230 PolarHBondContact N-O 2.89Å; I62-A230 PolarHBondContact O-N 3.41Å
63	A	98.2	Very high	96.6	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	150.6	174.4	0	0	0	0	0	112.8	V51 L52 V209 L213 E228 I229	V51-A63 WeakPolarHBondContact CA-O 3.21Å; L52-A63 PolarHBondContact N-O 2.98Å; L52-A63 PolarHBondContact O-N 3.08Å; A63-V209 HydrophobicContact CB-CG1 3.33Å; A63-L213 HydrophobicContact CB-CD1 3.85Å; A63-E228 VanDerWaalsContact CA-O 3.27Å; A63-E228 WeakPolarHBondContact CA-O 3.49Å; A63-E228 WeakPolarHBondContact CB-O 3.32Å; A63-I229 HydrophobicContact CB-CG1 3.98Å
64	A	98	Very high	96.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.008	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	144.2	-179	0	0	0	0	0	110.1	V51 R81 L82 H227 E228	V51-A64 HydrophobicContact CG2-CB 4.2Å; A64-R81 HydrophobicContact CB-CB 4.3Å; A64-L82 HydrophobicContact CB-CD2 3.79Å; A64-L82 HydrophobicContact CB-CG 4.09Å; A64-H227 WeakPolarHBondContact O-CA 3.45Å; A64-H227 WeakPolarHBondContact O-CB 3.41Å; A64-E228 PolarHBondContact N-O 2.79Å; A64-E228 VanDerWaalsContact N-O 3.11Å; A64-E228 PolarHBondContact O-N 3.19Å
65	D	96.9	Very high	96.4	Very high	6 Å²	6	35.1 Å²	35.1	3%	0.032	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	160.7	168.2	78.1	-15.4	0	0	0	112	L67 R81 S223 Y224 R226 H227	D65-L67 PolarHBondContact O-N 2.99Å; D65-R81 PolarHBondContact O-NE 2.92Å; D65-R81 PolarHBondContact O-NH2 3.12Å; D65-R81 IonicContact OD1-CZ 3.44Å; D65-R81 IonicContact OD1-NE 3.62Å; D65-R81 IonicContact OD1-NH2 2.61Å; D65-R81 PolarHBondContact OD1-NH2 3.37Å; D65-S223 VanDerWaalsContact OD2-CA 3.24Å; D65-S223 WeakPolarHBondContact OD2-CA 3.41Å; D65-Y224 PolarHBondContact OD2-N 3.17Å; D65-R226 CarbonylContact C-O 3.58Å; D65-R226 WeakPolarHBondContact CA-O 3.48Å; D65-H227 HydrophobicContact CB-CB 4.46Å
66	M	97.1	Very high	96.4	Very high	7 Å²	7	37 Å²	37	3%	0.034	21%	0.21	C	C	.	.			trans	-98.5	27	-171.1	-58.1	-178.3	76.5	0	0	113.7	R77 N78 I79 R226 E228 P242	M66-R77 CarbonylContact O-C 3.57Å; M66-N78 VanDerWaalsContact CE-OD1 3.27Å; M66-N78 WeakPolarHBondContact CE-OD1 3.24Å; M66-N78 PolarHBondContact O-N 3.43Å; M66-I79 CarbonylContact C-O 3.2Å; M66-I79 WeakPolarHBondContact CA-O 3.47Å; M66-I79 WeakPolarHBondContact CB-O 3.43Å; M66-I79 PolarHBondContact O-N 3.24Å; M66-R226 PolarHBondContact N-O 3.3Å; M66-R226 HydrophobicContact SD-CB 4.49Å; M66-E228 HydrophobicContact CE-CG 3.93Å; M66-E228 WeakPolarHBondContact CE-OE1 3.49Å; M66-E228 HydrophobicContact CG-CG 3.83Å; M66-E228 HydrophobicContact SD-CG 3.66Å; M66-P242 HydrophobicContact SD-CB 3.72Å
67	L	97.1	Very high	96.3	Very high	7 Å²	7	43.1 Å²	43.1	4%	0.037	23%	0.232	C	C	.	.			trans	-102.7	131	-173.9	179.3	62.9	0	0	0	112.5	D65 S69 A74 F76 R77 R222 Y224	D65-L67 PolarHBondContact O-N 2.99Å; L67-S69 WeakPolarHBondContact CD2-OG 3.08Å; L67-A74 HydrophobicContact CD1-CB 3.72Å; L67-A74 HydrophobicContact CD2-CB 4.43Å; L67-F76 WeakPolarHBondContact CA-O 3.47Å; L67-F76 WeakPolarHBondContact CD1-O 3.32Å; L67-R77 HydrophobicContact CD1-CG 4.41Å; L67-R222 WeakPolarHBondContact CD2-O 3.49Å; L67-Y224 HydrophobicContact CB-CG 4.35Å
68	G	97.4	Very high	96.4	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	107.1	162.5	0	0	0	0	0	110.3	R75 F76	G68-R75 PolarHBondContact O-N 2.97Å; G68-F76 PolarHBondContact N-O 2.95Å; G68-F76 PolarHBondContact O-N 3.35Å
69	S	96	Very high	96.5	Very high	3 Å²	3	43.5 Å²	43.5	2%	0.021	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	134.3	179	-67.6	0	0	0	0	111	V46 T47 L67 L73	V46-S69 CarbonylContact C-O 3.59Å; V46-S69 WeakPolarHBondContact CA-O 3.39Å; T47-S69 PolarHBondContact N-O 3.42Å; T47-S69 PolarHBondContact O-N 3.45Å; L67-S69 WeakPolarHBondContact CD2-OG 3.08Å; S69-L73 WeakPolarHBondContact CA-O 3.43Å
70	Y	95.9	Very high	96.4	Very high	111 Å²	111	45.4 Å²	45.4	44%	0.435	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	91.6	167.8	-175	-105.9	0	0	0	108.4	M45 V46 S72 L73	M45-Y70 HydrophobicContact CB-CE2 4.39Å; M45-Y70 VanDerWaalsContact O-CD2 3.28Å; M45-Y70 WeakPolarHBondContact O-CD2 3.35Å; M45-Y70 HydrophobicContact SD-CE2 4.26Å; V46-Y70 HydrophobicContact CG2-CD2 4.1Å; Y70-S72 PolarHBondContact O-N 3Å; Y70-S72 VanDerWaalsContact O-N 3.1Å; Y70-L73 PolarHBondContact N-O 3.02Å; Y70-L73 PolarHBondContact O-N 2.92Å; Y70-L73 VanDerWaalsContact O-N 3.11Å
71	G	92.2	Very high	96.4	Very high	51 Å²	51	45.5 Å²	45.5	53%	0.526	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	-113	-167.6	0	0	0	0	0	110.7	R222	G71-R222 PolarHBondContact O-NE 3.29Å
72	S	92	Very high	96.4	Very high	91 Å²	91	45.9 Å²	45.9	64%	0.636	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89	-15.3	178.2	61.8	0	0	0	0	116.1	Y70 R222	Y70-S72 PolarHBondContact O-N 3Å; Y70-S72 VanDerWaalsContact O-N 3.1Å; S72-R222 VanDerWaalsContact CA-NH2 3.33Å; S72-R222 PolarHBondContact O-NH1 2.86Å; S72-R222 VanDerWaalsContact O-NH1 3.07Å
73	L	94.6	Very high	96.3	Very high	104 Å²	104	46.2 Å²	46.2	55%	0.545	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	121.9	-175.8	178.5	63.6	0	0	0	110.3	S69 Y70 R75	S69-L73 WeakPolarHBondContact CA-O 3.43Å; Y70-L73 PolarHBondContact N-O 3.02Å; Y70-L73 PolarHBondContact O-N 2.92Å; Y70-L73 VanDerWaalsContact O-N 3.11Å; L73-R75 HydrophobicContact CG-CB 4.42Å; L73-R75 PolarHBondContact O-N 2.93Å
74	A	95.5	Very high	96.2	Very high	33 Å²	33	50.7 Å²	50.7	27%	0.273	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	77.4	168.9	0	0	0	0	0	110.8	L67 R77	L67-A74 HydrophobicContact CD1-CB 3.72Å; L67-A74 HydrophobicContact CD2-CB 4.43Å; A74-R77 PolarHBondContact O-NE 2.99Å
75	R	96.7	Very high	96.2	Very high	141 Å²	141	51.1 Å²	51.1	53%	0.532	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	-45.4	-169.2	-174.1	174.3	178.7	173.2	0.3	112.8	G68 L73	G68-R75 PolarHBondContact O-N 2.97Å; L73-R75 HydrophobicContact CG-CB 4.42Å; L73-R75 PolarHBondContact O-N 2.93Å
76	F	97.3	Very high	96.1	Very high	89 Å²	89	51.4 Å²	51.4	39%	0.39	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	115.4	-178.3	-56.7	-77	0	0	0	110.1	V46 L67 G68 I79	V46-F76 HydrophobicContact CG1-CD2 3.95Å; V46-F76 HydrophobicContact CG1-CE2 4.29Å; V46-F76 HydrophobicContact CG2-CE2 4.06Å; L67-F76 WeakPolarHBondContact CA-O 3.47Å; L67-F76 WeakPolarHBondContact CD1-O 3.32Å; G68-F76 PolarHBondContact N-O 2.95Å; G68-F76 PolarHBondContact O-N 3.35Å; F76-I79 HydrophobicContact CB-CG2 3.82Å
77	R	96.1	Very high	95.9	Very high	142 Å²	142	56.1 Å²	56.1	54%	0.536	29%	0.289	S	S	.	.	S	Bend	trans	-105.4	6.2	-167.2	-58.3	178.7	-174.8	177.9	-1.1	114.9	M66 L67 A74 Y224	M66-R77 CarbonylContact O-C 3.57Å; L67-R77 HydrophobicContact CD1-CG 4.41Å; A74-R77 PolarHBondContact O-NE 2.99Å; R77-Y224 HydrophobicContact CB-CE1 4.02Å
78	N	96.7	Very high	95.9	Very high	103 Å²	103	56.8 Å²	56.8	55%	0.551	29%	0.293	S	S	*	.	S	Bend	trans	-150.9	54.6	-174.9	-161.2	51.6	0	0	0	110.5	M66	M66-N78 VanDerWaalsContact CE-OD1 3.27Å; M66-N78 WeakPolarHBondContact CE-OD1 3.24Å; M66-N78 PolarHBondContact O-N 3.43Å
79	I	96.4	Very high	95.9	Very high	23 Å²	23	56.8 Å²	56.8	12%	0.118	29%	0.293	C	S	.	.			trans	-108.4	136.6	175.1	62.5	175.5	0	0	0	109.5	M66 F76 Y97	M66-I79 CarbonylContact C-O 3.2Å; M66-I79 WeakPolarHBondContact CA-O 3.47Å; M66-I79 WeakPolarHBondContact CB-O 3.43Å; M66-I79 PolarHBondContact O-N 3.24Å; F76-I79 HydrophobicContact CB-CG2 3.82Å; I79-Y97 HydrophobicContact CB-CE2 4.14Å; I79-Y97 HydrophobicContact CD1-CD1 4.36Å; I79-Y97 HydrophobicContact CD1-CD2 3.68Å; I79-Y97 HydrophobicContact CD1-CE1 4.32Å; I79-Y97 HydrophobicContact CD1-CE2 3.64Å; I79-Y97 HydrophobicContact CD1-CG 4.04Å; I79-Y97 HydrophobicContact CG1-CE2 4.15Å
80	S	96.6	Very high	96	Very high	40 Å²	40	56.8 Å²	56.8	28%	0.28	29%	0.292	S	S	.	.			trans	-83.6	132.6	174.8	-177.2	0	0	0	0	110.2	L82 Y97 E228	S80-L82 PolarHBondContact OG-N 2.85Å; S80-L82 PolarHBondContact OG-O 3.25Å; S80-Y97 PolarHBondContact O-OH 2.91Å; S80-E228 WeakPolarHBondContact CA-OE2 3.45Å; S80-E228 VanDerWaalsContact CB-OE2 3.25Å; S80-E228 WeakPolarHBondContact CB-OE2 3.42Å; S80-E228 PolarHBondContact OG-OE2 3.01Å
81	R	96.9	Very high	96.1	Very high	3 Å²	3	51.7 Å²	51.7	1%	0.011	27%	0.273	C	S	.	.			trans	-113.3	7.2	176.3	-57.2	-169.1	-63.2	119.2	-5.5	112.3	S50 A64 D65 G92 A93 Y97	S50-R81 PolarHBondContact O-NH1 2.82Å; S50-R81 PolarHBondContact O-NH2 3.28Å; A64-R81 HydrophobicContact CB-CB 4.3Å; D65-R81 PolarHBondContact O-NE 2.92Å; D65-R81 PolarHBondContact O-NH2 3.12Å; D65-R81 IonicContact OD1-CZ 3.44Å; D65-R81 IonicContact OD1-NE 3.62Å; D65-R81 IonicContact OD1-NH2 2.61Å; D65-R81 PolarHBondContact OD1-NH2 3.37Å; R81-G92 WeakPolarHBondContact O-CA 3.31Å; R81-A93 PolarHBondContact NH1-O 3Å; R81-A93 PolarHBondContact O-N 3.46Å; R81-Y97 HydrophobicContact CG-CD2 4.49Å; R81-Y97 HydrophobicContact CG-CE2 4.26Å
82	L	97.8	Very high	96.4	Very high	8 Å²	8	49.3 Å²	49.3	4%	0.042	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	142.6	175.7	-56.6	-178.1	0	0	0	108.6	I62 A64 S80 L91 Y100 E228 A230	I62-L82 HydrophobicContact CG2-CD2 3.67Å; A64-L82 HydrophobicContact CB-CD2 3.79Å; A64-L82 HydrophobicContact CB-CG 4.09Å; S80-L82 PolarHBondContact OG-N 2.85Å; S80-L82 PolarHBondContact OG-O 3.25Å; L82-L91 CarbonylContact C-O 3.54Å; L82-L91 WeakPolarHBondContact CA-O 3.22Å; L82-Y100 PolarHBondContact O-OH 3.2Å; L82-E228 HydrophobicContact CD1-CB 3.77Å; L82-A230 HydrophobicContact CD1-CB 3.8Å
83	M	96.4	Very high	96.7	Very high	8 Å²	8	45.1 Å²	45.1	4%	0.039	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	129.3	-178.8	173.7	-174.4	-179.1	0	0	108.7	I90 L91 K104 I107 E108	M83-I90 WeakPolarHBondContact O-CA 3.39Å; M83-L91 HydrophobicContact CB-CB 4.43Å; M83-L91 PolarHBondContact N-O 3.46Å; M83-L91 PolarHBondContact O-N 3Å; M83-K104 HydrophobicContact CE-CG 3.9Å; M83-K104 HydrophobicContact SD-CB 3.91Å; M83-K104 HydrophobicContact SD-CD 4.29Å; M83-K104 HydrophobicContact SD-CG 3.67Å; M83-I107 HydrophobicContact CE-CB 4.2Å; M83-I107 HydrophobicContact CE-CG2 3.91Å; M83-E108 HydrophobicContact CE-CG 3.43Å; M83-E108 VanDerWaalsContact CE-CG 3.43Å
84	K	97.3	Very high	96.8	Very high	93 Å²	93	40.4 Å²	40.4	40%	0.404	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	118.9	161.2	179.2	179.6	176.6	-176.9	0	107.5	N86 D87 V237 I239	K84-N86 WeakPolarHBondContact CE-O 3.46Å; K84-N86 VanDerWaalsContact CG-O 3.25Å; K84-N86 WeakPolarHBondContact CG-O 3.02Å; K84-D87 WeakPolarHBondContact CE-OD1 3.43Å; K84-D87 IonicContact NZ-OD1 2.67Å; K84-D87 PolarHBondContact NZ-OD1 3.03Å; K84-V237 HydrophobicContact CB-CG1 4.05Å; K84-V237 HydrophobicContact CD-CB 4Å; K84-V237 HydrophobicContact CD-CG1 4.07Å; K84-V237 HydrophobicContact CG-CB 4.03Å; K84-V237 HydrophobicContact CG-CG1 3.84Å; K84-V237 HydrophobicContact CG-CG2 4.37Å; K84-I239 HydrophobicContact CB-CD1 4.33Å
85	V	96.5	Very high	96.8	Very high	11 Å²	11	39.6 Å²	39.6	7%	0.067	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-49.7	177.8	174.3	0	0	0	0	109.4	T89 L91 I107 V111 I128	V85-T89 HydrophobicContact CB-CG2 4.01Å; V85-T89 HydrophobicContact CG1-CG2 4.43Å; V85-T89 HydrophobicContact CG2-CG2 4.15Å; V85-T89 PolarHBondContact N-O 3.49Å; V85-L91 HydrophobicContact CG2-CB 3.77Å; V85-L91 HydrophobicContact CG2-CD1 4.48Å; V85-I107 HydrophobicContact CB-CG2 4.43Å; V85-I107 HydrophobicContact CG1-CG2 3.66Å; V85-I107 HydrophobicContact CG2-CG2 4.15Å; V85-V111 HydrophobicContact CG1-CG2 3.76Å; V85-I128 HydrophobicContact CG1-CD1 4.37Å; V85-I128 HydrophobicContact CG1-CG1 4.4Å
86	N	94.8	Very high	96.8	Very high	12 Å²	12	33.1 Å²	33.1	6%	0.064	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	-166.2	174.3	61.4	15.3	0	0	0	107.9	K84 N88 T89 V111 Y123	K84-N86 WeakPolarHBondContact CE-O 3.46Å; K84-N86 VanDerWaalsContact CG-O 3.25Å; K84-N86 WeakPolarHBondContact CG-O 3.02Å; N86-N88 PolarHBondContact ND2-OD1 2.98Å; N86-N88 PolarHBondContact O-N 3.47Å; N86-N88 PolarHBondContact OD1-N 3.25Å; N86-N88 PolarHBondContact OD1-OD1 3.45Å; N86-T89 WeakPolarHBondContact OD1-CA 3.32Å; N86-T89 WeakPolarHBondContact OD1-CB 3.42Å; N86-T89 PolarHBondContact OD1-N 2.83Å; N86-T89 PolarHBondContact OD1-OG1 2.85Å; N86-V111 HydrophobicContact CB-CG1 4.29Å; N86-Y123 PolarHBondContact ND2-O 3.3Å
87	D	94.8	Very high	96.9	Very high	105 Å²	105	31 Å²	31	56%	0.561	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-13	-178.9	-68.9	-30	0	0	0	115	K84 G236	K84-D87 WeakPolarHBondContact CE-OD1 3.43Å; K84-D87 IonicContact NZ-OD1 2.67Å; K84-D87 PolarHBondContact NZ-OD1 3.03Å; D87-G236 CarbonylContact O-C 3.54Å; D87-G236 WeakPolarHBondContact O-CA 3.49Å
88	N	96.3	Very high	96.9	Very high	22 Å²	22	26.9 Å²	26.9	12%	0.118	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120	-3.1	-175.4	66.1	40.8	0	0	0	114.1	N86 Y123 G154 F155 Y156 V232	N86-N88 PolarHBondContact ND2-OD1 2.98Å; N86-N88 PolarHBondContact O-N 3.47Å; N86-N88 PolarHBondContact OD1-N 3.25Å; N86-N88 PolarHBondContact OD1-OD1 3.45Å; N88-Y123 PolarHBondContact OD1-O 2.86Å; N88-G154 CarbonylContact O-C 3.47Å; N88-G154 WeakPolarHBondContact O-CA 3.44Å; N88-F155 WeakPolarHBondContact CB-O 3.2Å; N88-F155 PolarHBondContact O-N 2.88Å; N88-Y156 HydrophobicContact CB-CD2 4.3Å; N88-Y156 WeakPolarHBondContact ND2-CD2 3.47Å; N88-V232 WeakPolarHBondContact O-CG2 3.39Å
89	T	97.8	Very high	96.9	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	132.7	-171.9	-57.2	0	0	0	0	111.9	V85 N86 P125 I152 G153	V85-T89 HydrophobicContact CB-CG2 4.01Å; V85-T89 HydrophobicContact CG1-CG2 4.43Å; V85-T89 HydrophobicContact CG2-CG2 4.15Å; V85-T89 PolarHBondContact N-O 3.49Å; N86-T89 WeakPolarHBondContact OD1-CA 3.32Å; N86-T89 WeakPolarHBondContact OD1-CB 3.42Å; N86-T89 PolarHBondContact OD1-N 2.83Å; N86-T89 PolarHBondContact OD1-OG1 2.85Å; T89-P125 HydrophobicContact CG2-CB 4.48Å; T89-P125 WeakPolarHBondContact OG1-CG 3.34Å; T89-I152 HydrophobicContact CG2-CG2 3.86Å; T89-G153 CarbonylContact C-O 3.59Å; T89-G153 WeakPolarHBondContact CA-O 3.23Å
90	I	97.9	Very high	96.9	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.01	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	147.7	172	52.4	172	0	0	0	110.7	I62 M83 I152 G153 A230 V232 V237	I62-I90 HydrophobicContact CB-CD1 3.93Å; I62-I90 HydrophobicContact CD1-CD1 3.75Å; I62-I90 HydrophobicContact CD1-CG1 3.84Å; I62-I90 HydrophobicContact CG1-CD1 3.68Å; I62-I90 HydrophobicContact CG1-CG1 4.34Å; M83-I90 WeakPolarHBondContact O-CA 3.39Å; I90-I152 WeakPolarHBondContact O-CA 3.48Å; I90-G153 VanDerWaalsContact CG1-O 3.28Å; I90-G153 WeakPolarHBondContact CG1-O 3.46Å; I90-G153 PolarHBondContact N-O 2.87Å; I90-G153 PolarHBondContact O-N 3.28Å; I90-G153 VanDerWaalsContact O-O 3.11Å; I90-A230 HydrophobicContact CD1-CB 3.96Å; I90-A230 HydrophobicContact CG2-CB 4.26Å; I90-V232 HydrophobicContact CD1-CB 4.28Å; I90-V232 HydrophobicContact CD1-CG1 3.92Å; I90-V232 HydrophobicContact CG1-CB 4.3Å; I90-V232 HydrophobicContact CG1-CG1 3.99Å; I90-V232 HydrophobicContact CG2-CB 4.44Å; I90-V237 HydrophobicContact CG2-CB 4.15Å; I90-V237 HydrophobicContact CG2-CG1 3.27Å; I90-V237 HydrophobicContact CG2-CG2 3.71Å
91	L	98.3	Very high	97	Very high	5 Å²	5	24.4 Å²	24.4	3%	0.026	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.4	178.6	-176.8	153.4	0	0	0	109.7	L82 M83 V85 A93 Y100 I107 L132 V150 V151	L82-L91 CarbonylContact C-O 3.54Å; L82-L91 WeakPolarHBondContact CA-O 3.22Å; M83-L91 HydrophobicContact CB-CB 4.43Å; M83-L91 PolarHBondContact N-O 3.46Å; M83-L91 PolarHBondContact O-N 3Å; V85-L91 HydrophobicContact CG2-CB 3.77Å; V85-L91 HydrophobicContact CG2-CD1 4.48Å; L91-A93 HydrophobicContact CD2-CB 4.31Å; L91-Y100 HydrophobicContact CD2-CD2 4.42Å; L91-Y100 HydrophobicContact CD2-CE2 3.97Å; L91-I107 HydrophobicContact CD1-CD1 3.65Å; L91-L132 HydrophobicContact CD1-CD1 3.69Å; L91-V150 HydrophobicContact CD1-CG1 3.72Å; L91-V150 HydrophobicContact CD2-CG1 3.85Å; L91-V150 HydrophobicContact CG-CG1 3.54Å; L91-V151 WeakPolarHBondContact CA-O 3.46Å
92	G	98.1	Very high	97	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	135.8	170.1	0	0	0	0	0	110.9	R81 V150 V151	R81-G92 WeakPolarHBondContact O-CA 3.31Å; G92-V150 WeakPolarHBondContact O-CA 3.36Å; G92-V151 PolarHBondContact N-O 3.14Å; G92-V151 PolarHBondContact O-N 3.11Å
93	A	97.6	Very high	96.9	Very high	3 Å²	3	29.3 Å²	29.3	3%	0.025	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	138.4	-178.5	0	0	0	0	0	113.2	V51 R81 L91 Y100	V51-A93 WeakPolarHBondContact CG2-O 3.31Å; R81-A93 PolarHBondContact NH1-O 3Å; R81-A93 PolarHBondContact O-N 3.46Å; L91-A93 HydrophobicContact CD2-CB 4.31Å; A93-Y100 HydrophobicContact CB-CD2 3.3Å; A93-Y100 HydrophobicContact CB-CE2 3.84Å; A93-Y100 HydrophobicContact CB-CG 3.84Å
94	S	96.8	Very high	96.9	Very high	5 Å²	5	32.5 Å²	32.5	4%	0.035	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	169.1	164.3	53	0	0	0	0	110.2	T49 N148 T149 T179	T49-S94 WeakPolarHBondContact O-CB 3.44Å; S94-N148 VanDerWaalsContact O-CA 3.25Å; S94-N148 WeakPolarHBondContact O-CA 3.44Å; S94-N148 WeakPolarHBondContact O-CB 3.4Å; S94-N148 PolarHBondContact O-ND2 2.91Å; S94-T149 PolarHBondContact N-O 2.89Å; S94-T149 PolarHBondContact O-N 3.44Å; S94-T149 VanDerWaalsContact O-N 3.15Å; S94-T149 WeakPolarHBondContact OG-CB 3.25Å; S94-T149 PolarHBondContact OG-O 3.16Å; S94-T179 VanDerWaalsContact CB-OG1 3.24Å; S94-T179 WeakPolarHBondContact CB-OG1 3.44Å; S94-T179 VanDerWaalsContact OG-CB 3.23Å; S94-T179 WeakPolarHBondContact OG-CB 3.25Å; S94-T179 PolarHBondContact OG-OG1 2.79Å
95	G	96.2	Very high	96.9	Very high	17 Å²	17	34.3 Å²	34.3	18%	0.175	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	91.8	-146.8	-176.4	0	0	0	0	0	112.1	T47 G48 W147	T47-G95 VanDerWaalsContact CA-O 3.23Å; T47-G95 WeakPolarHBondContact CA-O 3.32Å; G48-G95 PolarHBondContact N-O 2.88Å; G48-G95 PolarHBondContact O-N 3.32Å; G95-W147 VanDerWaalsContact CA-O 3.27Å; G95-W147 WeakPolarHBondContact CA-O 3.46Å
96	D	97.2	Very high	97	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	129	-174.3	-171.4	81.9	0	0	0	112.8	P44 M45 A98 D99 Y100 W147 N148	P44-D96 WeakPolarHBondContact CA-OD1 3.45Å; P44-D96 HydrophobicContact CB-CB 3.93Å; M45-D96 PolarHBondContact N-OD1 3.03Å; D96-A98 WeakPolarHBondContact OD2-CA 3.45Å; D96-A98 WeakPolarHBondContact OD2-CB 3.21Å; D96-A98 PolarHBondContact OD2-N 3.14Å; D96-D99 HydrophobicContact CB-CB 4.24Å; D96-D99 PolarHBondContact OD2-N 3.04Å; D96-Y100 PolarHBondContact O-N 2.91Å; D96-W147 HydrophobicContact CB-CB 3.99Å; D96-W147 PolarHBondContact N-O 3.49Å; D96-N148 PolarHBondContact O-ND2 3.47Å
97	Y	97.7	Very high	97.1	Very high	45 Å²	45	35.6 Å²	35.6	18%	0.176	18%	0.183	C	C	.	.	H	α-helix	trans	-75.2	-29.6	-175	-168.2	-104.3	0	0	0	113	V46 I79 S80 R81 Y100 Q101	V46-Y97 WeakPolarHBondContact O-CB 3.44Å; V46-Y97 PolarHBondContact O-N 2.82Å; I79-Y97 HydrophobicContact CB-CE2 4.14Å; I79-Y97 HydrophobicContact CD1-CD1 4.36Å; I79-Y97 HydrophobicContact CD1-CD2 3.68Å; I79-Y97 HydrophobicContact CD1-CE1 4.32Å; I79-Y97 HydrophobicContact CD1-CE2 3.64Å; I79-Y97 HydrophobicContact CD1-CG 4.04Å; I79-Y97 HydrophobicContact CG1-CE2 4.15Å; S80-Y97 PolarHBondContact O-OH 2.91Å; R81-Y97 HydrophobicContact CG-CD2 4.49Å; R81-Y97 HydrophobicContact CG-CE2 4.26Å; Y97-Y100 AromaticContact CD2-CD1 3.79Å; Y97-Y100 HydrophobicContact CD2-CD1 3.79Å; Y97-Y100 HydrophobicContact CD2-CE1 4.43Å; Y97-Y100 AromaticContact CE2-CD1 3.62Å; Y97-Y100 HydrophobicContact CE2-CD1 3.62Å; Y97-Y100 AromaticContact CE2-CE1 3.82Å; Y97-Y100 HydrophobicContact CE2-CE1 3.82Å; Y97-Y100 WeakPolarHBondContact O-CB 3.47Å; Y97-Y100 PolarHBondContact O-N 2.89Å; Y97-Q101 HydrophobicContact CD1-CG 4.25Å; Y97-Q101 HydrophobicContact CE1-CG 4Å; Y97-Q101 WeakPolarHBondContact O-CG 3.28Å; Y97-Q101 PolarHBondContact O-N 2.67Å
98	A	96.7	Very high	97.1	Very high	55 Å²	55	34.3 Å²	34.3	46%	0.455	17%	0.173	S	C	.	.	H	α-helix	trans	-72.6	-41.1	178.2	0	0	0	0	0	110.9	D96 Y100 Q101 Y102	D96-A98 WeakPolarHBondContact OD2-CA 3.45Å; D96-A98 WeakPolarHBondContact OD2-CB 3.21Å; D96-A98 PolarHBondContact OD2-N 3.14Å; A98-Y100 VanDerWaalsContact C-N 3.27Å; A98-Y100 PolarHBondContact O-N 3.13Å; A98-Q101 PolarHBondContact O-N 2.99Å; A98-Y102 PolarHBondContact O-N 2.77Å
99	D	96.5	Very high	97.2	Very high	10 Å²	10	38.1 Å²	38.1	5%	0.053	19%	0.19	C	C	.	.	H	α-helix	trans	-62.3	-35.9	172.3	-74.5	-14.9	0	0	0	111.6	T41 D96 Y102 L103 L146 W147 N148	T41-D99 PolarHBondContact OG1-OD1 2.8Å; D96-D99 HydrophobicContact CB-CB 4.24Å; D96-D99 PolarHBondContact OD2-N 3.04Å; D99-Y102 WeakPolarHBondContact O-CB 3.42Å; D99-Y102 PolarHBondContact O-N 2.89Å; D99-L103 WeakPolarHBondContact O-CG 3.37Å; D99-L103 PolarHBondContact O-N 2.87Å; D99-L146 HydrophobicContact CB-CD2 3.86Å; D99-W147 PolarHBondContact OD2-N 3.31Å; D99-N148 VanDerWaalsContact C-OD1 3.32Å; D99-N148 WeakPolarHBondContact CB-OD1 3.48Å
100	Y	97.4	Very high	97.1	Very high	8 Å²	8	39.5 Å²	39.5	3%	0.031	20%	0.197	C	C	.	.	H	α-helix	trans	-62.2	-45.2	171.4	163.6	-116	0	0	0	112.2	L82 L91 A93 D96 Y97 A98 Y102 L103 K104 N148	L82-Y100 PolarHBondContact O-OH 3.2Å; L91-Y100 HydrophobicContact CD2-CD2 4.42Å; L91-Y100 HydrophobicContact CD2-CE2 3.97Å; A93-Y100 HydrophobicContact CB-CD2 3.3Å; A93-Y100 HydrophobicContact CB-CE2 3.84Å; A93-Y100 HydrophobicContact CB-CG 3.84Å; D96-Y100 PolarHBondContact O-N 2.91Å; Y97-Y100 AromaticContact CD2-CD1 3.79Å; Y97-Y100 HydrophobicContact CD2-CD1 3.79Å; Y97-Y100 HydrophobicContact CD2-CE1 4.43Å; Y97-Y100 AromaticContact CE2-CD1 3.62Å; Y97-Y100 HydrophobicContact CE2-CD1 3.62Å; Y97-Y100 AromaticContact CE2-CE1 3.82Å; Y97-Y100 HydrophobicContact CE2-CE1 3.82Å; Y97-Y100 WeakPolarHBondContact O-CB 3.47Å; Y97-Y100 PolarHBondContact O-N 2.89Å; A98-Y100 VanDerWaalsContact C-N 3.27Å; A98-Y100 PolarHBondContact O-N 3.13Å; Y100-Y102 VanDerWaalsContact C-N 3.29Å; Y100-Y102 PolarHBondContact O-N 2.77Å; Y100-L103 PolarHBondContact O-N 2.85Å; Y100-K104 WeakPolarHBondContact O-CB 3.21Å; Y100-K104 PolarHBondContact O-N 2.96Å; Y100-N148 PolarHBondContact N-OD1 2.91Å
101	Q	97.4	Very high	97	Very high	97 Å²	97	39.9 Å²	39.9	45%	0.453	20%	0.2	S	C	.	.	H	α-helix	trans	-61.6	-38.9	176.7	-72.3	178.7	-46.9	0	0	112.1	Y97 A98 K104 Q105	Y97-Q101 HydrophobicContact CD1-CG 4.25Å; Y97-Q101 HydrophobicContact CE1-CG 4Å; Y97-Q101 WeakPolarHBondContact O-CG 3.28Å; Y97-Q101 PolarHBondContact O-N 2.67Å; A98-Q101 PolarHBondContact O-N 2.99Å; Q101-K104 PolarHBondContact O-N 2.78Å; Q101-Q105 WeakPolarHBondContact O-CG 3.5Å; Q101-Q105 PolarHBondContact O-N 2.87Å; Q101-Q105 VanDerWaalsContact O-N 3.07Å
102	Y	96.8	Very high	96.8	Very high	109 Å²	109	43.3 Å²	43.3	43%	0.427	22%	0.217	S	C	.	.	H	α-helix	trans	-61.6	-49.2	173.6	169	-102	0	0	0	111.6	A98 D99 Y100 K104 Q105 V106 L146	A98-Y102 PolarHBondContact O-N 2.77Å; D99-Y102 WeakPolarHBondContact O-CB 3.42Å; D99-Y102 PolarHBondContact O-N 2.89Å; Y100-Y102 VanDerWaalsContact C-N 3.29Å; Y100-Y102 PolarHBondContact O-N 2.77Å; Y102-K104 VanDerWaalsContact C-N 3.3Å; Y102-K104 PolarHBondContact O-N 3.22Å; Y102-Q105 PolarHBondContact O-N 2.87Å; Y102-V106 HydrophobicContact CD2-CG2 4.38Å; Y102-V106 HydrophobicContact CE1-CG2 4.28Å; Y102-V106 HydrophobicContact CE2-CG2 3.91Å; Y102-V106 WeakPolarHBondContact O-CG2 3.42Å; Y102-V106 PolarHBondContact O-N 2.81Å; Y102-V106 VanDerWaalsContact O-N 3.14Å; Y102-L146 HydrophobicContact CD1-CD1 4.45Å; Y102-L146 HydrophobicContact CD1-CD2 3.97Å; Y102-L146 HydrophobicContact CE1-CD1 4.42Å; Y102-L146 HydrophobicContact CE1-CD2 4.36Å
103	L	96.8	Very high	96.7	Very high	5 Å²	5	47.2 Å²	47.2	3%	0.026	24%	0.238	C	C	.	.	H	α-helix	trans	-59.5	-42.7	176.7	-76.7	171.8	0	0	0	111.9	D99 Y100 Q105 V106 I107 L132 V135 M136 L146 N148 V150	D99-L103 WeakPolarHBondContact O-CG 3.37Å; D99-L103 PolarHBondContact O-N 2.87Å; Y100-L103 PolarHBondContact O-N 2.85Å; L103-Q105 PolarHBondContact O-N 3.31Å; L103-V106 PolarHBondContact O-N 2.82Å; L103-I107 WeakPolarHBondContact O-CB 3.47Å; L103-I107 VanDerWaalsContact O-CG1 3.22Å; L103-I107 WeakPolarHBondContact O-CG1 3.4Å; L103-I107 PolarHBondContact O-N 3.48Å; L103-L132 HydrophobicContact CD2-CD2 4.05Å; L103-V135 HydrophobicContact CD2-CG1 4.17Å; L103-M136 HydrophobicContact CD1-CE 3.65Å; L103-L146 HydrophobicContact CD1-CD1 4.15Å; L103-L146 HydrophobicContact CD2-CD1 3.63Å; L103-L146 HydrophobicContact CG-CD1 3.93Å; L103-N148 HydrophobicContact CD1-CB 4.44Å; L103-V150 HydrophobicContact CD1-CG2 4.45Å
104	K	97	Very high	96.5	Very high	75 Å²	75	48.7 Å²	48.7	33%	0.326	24%	0.244	S	C	.	.	H	α-helix	trans	-55.1	-51.5	176.2	171.8	170	179.4	-177.5	0	111.3	M83 Y100 Q101 Y102 V106 I107 E108	M83-K104 HydrophobicContact CE-CG 3.9Å; M83-K104 HydrophobicContact SD-CB 3.91Å; M83-K104 HydrophobicContact SD-CD 4.29Å; M83-K104 HydrophobicContact SD-CG 3.67Å; Y100-K104 WeakPolarHBondContact O-CB 3.21Å; Y100-K104 PolarHBondContact O-N 2.96Å; Q101-K104 PolarHBondContact O-N 2.78Å; Y102-K104 VanDerWaalsContact C-N 3.3Å; Y102-K104 PolarHBondContact O-N 3.22Å; K104-V106 PolarHBondContact O-N 3Å; K104-I107 PolarHBondContact O-N 3.26Å; K104-E108 WeakPolarHBondContact CE-OE1 3.41Å; K104-E108 HydrophobicContact CG-CG 4.35Å; K104-E108 IonicContact NZ-OE1 3.74Å; K104-E108 WeakPolarHBondContact O-CB 3.19Å; K104-E108 VanDerWaalsContact O-CG 3.31Å; K104-E108 WeakPolarHBondContact O-CG 3.49Å; K104-E108 PolarHBondContact O-N 2.97Å
105	Q	97.4	Very high	96.3	Very high	131 Å²	131	54 Å²	54	61%	0.612	27%	0.269	S	S	*	.	H	α-helix	trans	-60.4	-42.6	179.6	-72.8	176.3	-13.8	0	0	112.9	Q101 Y102 L103 E108 Q109	Q101-Q105 WeakPolarHBondContact O-CG 3.5Å; Q101-Q105 PolarHBondContact O-N 2.87Å; Q101-Q105 VanDerWaalsContact O-N 3.07Å; Y102-Q105 PolarHBondContact O-N 2.87Å; L103-Q105 PolarHBondContact O-N 3.31Å; Q105-E108 PolarHBondContact O-N 2.98Å; Q105-Q109 PolarHBondContact O-N 3.33Å
106	V	97.3	Very high	96.3	Very high	50 Å²	50	59.8 Å²	59.8	30%	0.303	30%	0.295	S	S	.	.	H	α-helix	trans	-66.1	-41.2	179.2	177.3	0	0	0	0	111	Y102 L103 K104 M110 W131	Y102-V106 HydrophobicContact CD2-CG2 4.38Å; Y102-V106 HydrophobicContact CE1-CG2 4.28Å; Y102-V106 HydrophobicContact CE2-CG2 3.91Å; Y102-V106 WeakPolarHBondContact O-CG2 3.42Å; Y102-V106 PolarHBondContact O-N 2.81Å; Y102-V106 VanDerWaalsContact O-N 3.14Å; L103-V106 PolarHBondContact O-N 2.82Å; K104-V106 PolarHBondContact O-N 3Å; V106-M110 WeakPolarHBondContact O-CB 3.34Å; V106-M110 PolarHBondContact O-N 3.24Å; V106-W131 HydrophobicContact CB-CH2 4.45Å; V106-W131 HydrophobicContact CG1-CH2 3.66Å; V106-W131 HydrophobicContact CG1-CZ2 3.71Å
107	I	96.9	Very high	96.1	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-68	-43.7	178.3	-68.3	167.3	0	0	0	110.8	M83 V85 L91 L103 K104 Q109 M110 V111 W131 L132	M83-I107 HydrophobicContact CE-CB 4.2Å; M83-I107 HydrophobicContact CE-CG2 3.91Å; V85-I107 HydrophobicContact CB-CG2 4.43Å; V85-I107 HydrophobicContact CG1-CG2 3.66Å; V85-I107 HydrophobicContact CG2-CG2 4.15Å; L91-I107 HydrophobicContact CD1-CD1 3.65Å; L103-I107 WeakPolarHBondContact O-CB 3.47Å; L103-I107 VanDerWaalsContact O-CG1 3.22Å; L103-I107 WeakPolarHBondContact O-CG1 3.4Å; L103-I107 PolarHBondContact O-N 3.48Å; K104-I107 PolarHBondContact O-N 3.26Å; I107-Q109 VanDerWaalsContact C-N 3.35Å; I107-Q109 PolarHBondContact O-N 3.15Å; I107-M110 PolarHBondContact O-N 3.46Å; I107-V111 HydrophobicContact CG2-CG2 4.37Å; I107-V111 WeakPolarHBondContact O-CG2 3.37Å; I107-V111 PolarHBondContact O-N 3.47Å; I107-W131 HydrophobicContact CD1-CZ3 4.08Å; I107-W131 HydrophobicContact CG1-CH2 3.86Å; I107-W131 HydrophobicContact CG1-CZ3 3.51Å; I107-L132 HydrophobicContact CD1-CD1 4.3Å; I107-L132 HydrophobicContact CD1-CD2 4.32Å
108	E	96.3	Very high	95.7	Very high	77 Å²	77	66.4 Å²	66.4	36%	0.36	35%	0.348	S	S	.	.	H	α-helix	trans	-57.7	-48	176.9	-75.1	173.2	162.6	0	0	110.9	M83 K104 Q105 M110 V111 I112	M83-E108 HydrophobicContact CE-CG 3.43Å; M83-E108 VanDerWaalsContact CE-CG 3.43Å; K104-E108 WeakPolarHBondContact CE-OE1 3.41Å; K104-E108 HydrophobicContact CG-CG 4.35Å; K104-E108 IonicContact NZ-OE1 3.74Å; K104-E108 WeakPolarHBondContact O-CB 3.19Å; K104-E108 VanDerWaalsContact O-CG 3.31Å; K104-E108 WeakPolarHBondContact O-CG 3.49Å; K104-E108 PolarHBondContact O-N 2.97Å; Q105-E108 PolarHBondContact O-N 2.98Å; E108-M110 PolarHBondContact O-N 3.08Å; E108-V111 PolarHBondContact O-N 3.23Å; E108-I112 WeakPolarHBondContact O-CB 3.41Å; E108-I112 WeakPolarHBondContact O-CD1 3.5Å; E108-I112 VanDerWaalsContact O-CG1 3.23Å; E108-I112 WeakPolarHBondContact O-CG1 3.22Å; E108-I112 PolarHBondContact O-N 2.98Å
109	Q	96.8	Very high	95.5	Very high	102 Å²	102	68 Å²	68	48%	0.477	35%	0.349	S	S	.	.	H	α-helix	trans	-62.1	-44	178	-171.6	62.3	54.4	0	0	111.9	Q105 I107 V111 I112 D113	Q105-Q109 PolarHBondContact O-N 3.33Å; I107-Q109 VanDerWaalsContact C-N 3.35Å; I107-Q109 PolarHBondContact O-N 3.15Å; Q109-V111 VanDerWaalsContact C-N 3.32Å; Q109-V111 PolarHBondContact O-N 3.11Å; Q109-I112 PolarHBondContact O-N 3.01Å; Q109-D113 PolarHBondContact NE2-OD1 3.4Å; Q109-D113 WeakPolarHBondContact O-CB 3.43Å; Q109-D113 PolarHBondContact O-N 3.44Å
110	M	96	Very high	95.1	Very high	29 Å²	29	71.1 Å²	71.1	14%	0.143	38%	0.384	C	S	.	.	H	α-helix	trans	-60.7	-41	178.6	-177.6	-176.4	68.9	0	0	112	V106 I107 E108 E114 Y123 I128 W131	V106-M110 WeakPolarHBondContact O-CB 3.34Å; V106-M110 PolarHBondContact O-N 3.24Å; I107-M110 PolarHBondContact O-N 3.46Å; E108-M110 PolarHBondContact O-N 3.08Å; M110-E114 PolarHBondContact O-N 2.89Å; M110-Y123 HydrophobicContact CE-CD2 4.44Å; M110-Y123 HydrophobicContact CG-CE2 3.76Å; M110-Y123 WeakPolarHBondContact O-CE2 3.4Å; M110-Y123 HydrophobicContact SD-CE2 4.47Å; M110-I128 HydrophobicContact CE-CD1 3.37Å; M110-W131 HydrophobicContact CE-CD2 4.19Å; M110-W131 HydrophobicContact CE-CE3 4.18Å; M110-W131 HydrophobicContact CE-CZ3 4.47Å; M110-W131 HydrophobicContact SD-CD2 3.91Å; M110-W131 HydrophobicContact SD-CE3 4.45Å; M110-W131 HydrophobicContact SD-CG 4.19Å; M110-W131 HydrophobicContact SD-CZ2 4.06Å
111	V	95.1	Very high	94.8	Very high	11 Å²	11	77 Å²	77	7%	0.067	41%	0.411	C	S	.	.	H	α-helix	trans	-68	-44.1	176.7	172.5	0	0	0	0	111.1	V85 N86 I107 E108 Q109 D113 E114 E115	V85-V111 HydrophobicContact CG1-CG2 3.76Å; N86-V111 HydrophobicContact CB-CG1 4.29Å; I107-V111 HydrophobicContact CG2-CG2 4.37Å; I107-V111 WeakPolarHBondContact O-CG2 3.37Å; I107-V111 PolarHBondContact O-N 3.47Å; E108-V111 PolarHBondContact O-N 3.23Å; Q109-V111 VanDerWaalsContact C-N 3.32Å; Q109-V111 PolarHBondContact O-N 3.11Å; V111-D113 VanDerWaalsContact C-N 3.34Å; V111-D113 PolarHBondContact O-N 3.3Å; V111-E114 PolarHBondContact O-N 2.91Å; V111-E115 HydrophobicContact CG1-CG 4.31Å; V111-E115 WeakPolarHBondContact CG1-OE1 3.49Å; V111-E115 WeakPolarHBondContact O-CG 3.49Å; V111-E115 PolarHBondContact O-N 3.22Å
112	I	95.4	Very high	94.5	Very high	77 Å²	77	75.2 Å²	75.2	40%	0.395	41%	0.409	S	S	.	.	H	α-helix	trans	-59.3	-45.8	177.5	-70.6	163.6	0	0	0	110.9	E108 Q109 E114 E115 L116	E108-I112 WeakPolarHBondContact O-CB 3.41Å; E108-I112 WeakPolarHBondContact O-CD1 3.5Å; E108-I112 VanDerWaalsContact O-CG1 3.23Å; E108-I112 WeakPolarHBondContact O-CG1 3.22Å; E108-I112 PolarHBondContact O-N 2.98Å; Q109-I112 PolarHBondContact O-N 3.01Å; I112-E114 VanDerWaalsContact C-N 3.28Å; I112-E114 PolarHBondContact O-N 2.73Å; I112-E115 PolarHBondContact O-N 2.78Å; I112-L116 HydrophobicContact CG2-CD1 3.83Å; I112-L116 HydrophobicContact CG2-CG 4.24Å; I112-L116 WeakPolarHBondContact O-CB 3.48Å; I112-L116 VanDerWaalsContact O-CG 3.23Å; I112-L116 WeakPolarHBondContact O-CG 3.08Å; I112-L116 PolarHBondContact O-N 2.79Å
113	D	95.6	Very high	94.4	Very high	81 Å²	81	73.3 Å²	73.3	43%	0.433	40%	0.402	S	S	.	.	H	α-helix	trans	-60.9	-39.4	-179	-69.8	-17.4	0	0	0	111.6	Q109 V111	Q109-D113 PolarHBondContact NE2-OD1 3.4Å; Q109-D113 WeakPolarHBondContact O-CB 3.43Å; Q109-D113 PolarHBondContact O-N 3.44Å; V111-D113 VanDerWaalsContact C-N 3.34Å; V111-D113 PolarHBondContact O-N 3.3Å
114	E	93.9	Very high	94.4	Very high	34 Å²	34	74.6 Å²	74.6	16%	0.159	41%	0.411	C	S	.	.	H	α-helix	trans	-68.4	-45.8	176.3	-169.9	71.1	-167	0	0	112	M110 V111 I112 L116 L117 Y123	M110-E114 PolarHBondContact O-N 2.89Å; V111-E114 PolarHBondContact O-N 2.91Å; I112-E114 VanDerWaalsContact C-N 3.28Å; I112-E114 PolarHBondContact O-N 2.73Å; E114-L116 VanDerWaalsContact C-N 3.25Å; E114-L116 PolarHBondContact O-N 2.71Å; E114-L117 WeakPolarHBondContact O-CB 3.25Å; E114-L117 PolarHBondContact O-N 3.3Å; E114-L117 VanDerWaalsContact O-N 3.15Å; E114-Y123 HydrophobicContact CB-CD2 4.09Å; E114-Y123 HydrophobicContact CB-CE2 3.46Å; E114-Y123 VanDerWaalsContact CB-CE2 3.46Å; E114-Y123 HydrophobicContact CG-CD2 4.1Å; E114-Y123 HydrophobicContact CG-CE2 3.71Å; E114-Y123 VanDerWaalsContact OE2-CZ 3.25Å; E114-Y123 PolarHBondContact OE2-OH 3.08Å
115	E	92.8	Very high	94.4	Very high	118 Å²	118	71.1 Å²	71.1	55%	0.551	40%	0.396	S	S	*	.	H	α-helix	trans	-62	-34.6	178.6	-73.7	178.7	179.3	0	0	112.1	V111 I112 L117 G118	V111-E115 HydrophobicContact CG1-CG 4.31Å; V111-E115 WeakPolarHBondContact CG1-OE1 3.49Å; V111-E115 WeakPolarHBondContact O-CG 3.49Å; V111-E115 PolarHBondContact O-N 3.22Å; I112-E115 PolarHBondContact O-N 2.78Å; E115-L117 VanDerWaalsContact C-N 3.29Å; E115-L117 PolarHBondContact O-N 3.15Å; E115-G118 PolarHBondContact O-N 3.47Å
116	L	95.1	Very high	94.4	Very high	137 Å²	137	69.7 Å²	69.7	72%	0.717	39%	0.388	S	S	*	.	H	α-helix	trans	-68	-24.7	177.5	-74.2	174.1	0	0	0	113.7	I112 E114 G118	I112-L116 HydrophobicContact CG2-CD1 3.83Å; I112-L116 HydrophobicContact CG2-CG 4.24Å; I112-L116 WeakPolarHBondContact O-CB 3.48Å; I112-L116 VanDerWaalsContact O-CG 3.23Å; I112-L116 WeakPolarHBondContact O-CG 3.08Å; I112-L116 PolarHBondContact O-N 2.79Å; E114-L116 VanDerWaalsContact C-N 3.25Å; E114-L116 PolarHBondContact O-N 2.71Å; L116-G118 VanDerWaalsContact C-N 3.25Å; L116-G118 PolarHBondContact O-N 3.2Å
117	L	93.8	Very high	94.4	Very high	122 Å²	122	69.2 Å²	69.2	64%	0.639	39%	0.389	S	S	*	.	H	α-helix	trans	-66.5	-31.5	174.8	-66.8	173	0	0	0	111.5	E114 E115 D119	E114-L117 WeakPolarHBondContact O-CB 3.25Å; E114-L117 PolarHBondContact O-N 3.3Å; E114-L117 VanDerWaalsContact O-N 3.15Å; E115-L117 VanDerWaalsContact C-N 3.29Å; E115-L117 PolarHBondContact O-N 3.15Å; L117-D119 PolarHBondContact O-N 3.4Å; L117-D119 VanDerWaalsContact O-N 3.15Å
118	G	88.8	Confident	94.4	Very high	66 Å²	66	69.2 Å²	69.2	68%	0.68	39%	0.389	S	S	*	.			trans	61.8	23.2	170.5	0	0	0	0	0	114.9	E115 L116 G120	E115-G118 PolarHBondContact O-N 3.47Å; L116-G118 VanDerWaalsContact C-N 3.25Å; L116-G118 PolarHBondContact O-N 3.2Å; G118-G120 VanDerWaalsContact C-N 3.26Å; G118-G120 PolarHBondContact O-N 3.44Å
119	D	92.8	Very high	94.5	Very high	90 Å²	90	66.4 Å²	66.4	48%	0.481	38%	0.376	S	S	.	.	S	Bend	trans	-86	2.2	-177.6	74.7	-17.9	0	0	0	113.3	L117 H121	L117-D119 PolarHBondContact O-N 3.4Å; L117-D119 VanDerWaalsContact O-N 3.15Å; D119-H121 IonicContact OD1-CG 3.81Å; D119-H121 PolarHBondContact OD1-N 3.35Å; D119-H121 IonicContact OD1-ND1 3.33Å; D119-H121 PolarHBondContact OD1-ND1 2.99Å; D119-H121 IonicContact OD2-CE1 3.13Å; D119-H121 IonicContact OD2-CG 2.65Å; D119-H121 IonicContact OD2-ND1 3.85Å; D119-H121 PolarHBondContact OD2-ND1 2.9Å
120	G	87.9	Confident	94.6	Very high	75 Å²	75	64.9 Å²	64.9	77%	0.773	38%	0.377	S	S	*	.	S	Bend	trans	88.5	2.5	179.2	0	0	0	0	0	114.6	G118	G118-G120 VanDerWaalsContact C-N 3.26Å; G118-G120 PolarHBondContact O-N 3.44Å
121	H	90.4	Very high	94.7	Very high	132 Å²	132	67 Å²	67	61%	0.611	38%	0.383	S	S	*	.			trans	-93.3	153.5	173.5	-58.4	98.6	0	0	0	111.6	D119	D119-H121 IonicContact OD1-CG 3.81Å; D119-H121 PolarHBondContact OD1-N 3.35Å; D119-H121 IonicContact OD1-ND1 3.33Å; D119-H121 PolarHBondContact OD1-ND1 2.99Å; D119-H121 IonicContact OD2-CE1 3.13Å; D119-H121 IonicContact OD2-CG 2.65Å; D119-H121 IonicContact OD2-ND1 3.85Å; D119-H121 PolarHBondContact OD2-ND1 2.9Å
122	S	92	Very high	94.8	Very high	59 Å²	59	66.5 Å²	66.5	41%	0.413	38%	0.38	S	S	.	.			trans	-146.3	155.7	174	55.7	0	0	0	0	109.6	S124	S122-S124 PolarHBondContact O-N 2.89Å
123	Y	95.2	Very high	94.9	Very high	69 Å²	69	63.5 Å²	63.5	27%	0.271	37%	0.365	S	S	.	.			trans	-66.6	125.6	176.4	-66.7	-60.8	0	0	0	111.5	N86 N88 M110 E114 I128	N86-Y123 PolarHBondContact ND2-O 3.3Å; N88-Y123 PolarHBondContact OD1-O 2.86Å; M110-Y123 HydrophobicContact CE-CD2 4.44Å; M110-Y123 HydrophobicContact CG-CE2 3.76Å; M110-Y123 WeakPolarHBondContact O-CE2 3.4Å; M110-Y123 HydrophobicContact SD-CE2 4.47Å; E114-Y123 HydrophobicContact CB-CD2 4.09Å; E114-Y123 HydrophobicContact CB-CE2 3.46Å; E114-Y123 VanDerWaalsContact CB-CE2 3.46Å; E114-Y123 HydrophobicContact CG-CD2 4.1Å; E114-Y123 HydrophobicContact CG-CE2 3.71Å; E114-Y123 VanDerWaalsContact OE2-CZ 3.25Å; E114-Y123 PolarHBondContact OE2-OH 3.08Å; Y123-I128 HydrophobicContact CD2-CD1 4.22Å; Y123-I128 HydrophobicContact CG-CD1 3.92Å
124	S	96.1	Very high	95	Very high	31 Å²	31	66.9 Å²	66.9	22%	0.217	37%	0.372	C	S	.	.			trans	-75.8	156.9	171.1	67.4	0	0	0	0	111.4	S122 K126 A127 I128	S122-S124 PolarHBondContact O-N 2.89Å; S124-K126 PolarHBondContact O-N 2.76Å; S124-A127 WeakPolarHBondContact O-CB 3.5Å; S124-A127 PolarHBondContact O-N 3.11Å; S124-A127 WeakPolarHBondContact OG-CB 3.49Å; S124-A127 PolarHBondContact OG-N 3.25Å; S124-I128 PolarHBondContact O-N 2.79Å; S124-I128 VanDerWaalsContact O-N 3.08Å
125	P	97	Very high	95.2	Very high	3 Å²	3	66.9 Å²	66.9	2%	0.019	37%	0.374	C	S	.	.	H	α-helix	trans	-55.1	-38.1	175.9	-23.8	30	0	0	0	113.1	T89 I128 H129 F161	T89-P125 HydrophobicContact CG2-CB 4.48Å; T89-P125 WeakPolarHBondContact OG1-CG 3.34Å; P125-I128 PolarHBondContact O-N 2.96Å; P125-H129 WeakPolarHBondContact O-CB 3.27Å; P125-H129 PolarHBondContact O-N 2.89Å; P125-F161 HydrophobicContact CB-CB 3.96Å; P125-F161 HydrophobicContact CB-CD1 3.58Å; P125-F161 HydrophobicContact CB-CE1 4.36Å; P125-F161 HydrophobicContact CB-CG 3.94Å
126	K	97.4	Very high	95.4	Very high	101 Å²	101	61.2 Å²	61.2	44%	0.439	35%	0.348	S	S	.	.	H	α-helix	trans	-64.1	-40	175.9	-72.6	175.6	-178	166.8	0	111.8	S124 H129 S130 E159 F161	S124-K126 PolarHBondContact O-N 2.76Å; K126-H129 PolarHBondContact O-N 2.83Å; K126-S130 WeakPolarHBondContact O-CB 3.41Å; K126-S130 PolarHBondContact O-N 2.91Å; K126-E159 IonicContact NZ-OE2 2.85Å; K126-E159 PolarHBondContact NZ-OE2 3.49Å; K126-E159 VanDerWaalsContact NZ-OE2 3.13Å; K126-F161 HydrophobicContact CB-CE2 4.37Å; K126-F161 HydrophobicContact CD-CD2 4.34Å; K126-F161 HydrophobicContact CG-CD2 3.46Å; K126-F161 VanDerWaalsContact CG-CD2 3.46Å; K126-F161 HydrophobicContact CG-CE2 3.47Å; K126-F161 VanDerWaalsContact CG-CE2 3.47Å; K126-F161 HydrophobicContact CG-CG 4.24Å; K126-F161 HydrophobicContact CG-CZ 4.3Å
127	A	97.1	Very high	95.5	Very high	39 Å²	39	59.9 Å²	59.9	32%	0.322	33%	0.334	S	S	.	.	H	α-helix	trans	-65.3	-46.5	177.3	0	0	0	0	0	111.5	S124 H129 S130 W131	S124-A127 WeakPolarHBondContact O-CB 3.5Å; S124-A127 PolarHBondContact O-N 3.11Å; S124-A127 WeakPolarHBondContact OG-CB 3.49Å; S124-A127 PolarHBondContact OG-N 3.25Å; A127-H129 VanDerWaalsContact C-N 3.33Å; A127-H129 PolarHBondContact O-N 3.17Å; A127-S130 PolarHBondContact O-N 3.12Å; A127-W131 WeakPolarHBondContact O-CB 3.33Å; A127-W131 PolarHBondContact O-N 3.48Å
128	I	97.3	Very high	95.7	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-61.2	-41.5	176.4	-61.1	-61.8	0	0	0	111.3	V85 M110 Y123 S124 P125 W131 L132	V85-I128 HydrophobicContact CG1-CD1 4.37Å; V85-I128 HydrophobicContact CG1-CG1 4.4Å; M110-I128 HydrophobicContact CE-CD1 3.37Å; Y123-I128 HydrophobicContact CD2-CD1 4.22Å; Y123-I128 HydrophobicContact CG-CD1 3.92Å; S124-I128 PolarHBondContact O-N 2.79Å; S124-I128 VanDerWaalsContact O-N 3.08Å; P125-I128 PolarHBondContact O-N 2.96Å; I128-W131 PolarHBondContact O-N 3.07Å; I128-L132 HydrophobicContact CG2-CD1 4.09Å; I128-L132 WeakPolarHBondContact O-CB 3.41Å; I128-L132 PolarHBondContact O-N 3.24Å
129	H	98.3	Very high	96	Very high	18 Å²	18	56.6 Å²	56.6	8%	0.083	30%	0.298	C	S	.	.	H	α-helix	trans	-63	-44.1	176.1	175.9	-97.1	0	0	0	113.2	P125 K126 A127 T133 I152 F161 Y164 V165	P125-H129 WeakPolarHBondContact O-CB 3.27Å; P125-H129 PolarHBondContact O-N 2.89Å; K126-H129 PolarHBondContact O-N 2.83Å; A127-H129 VanDerWaalsContact C-N 3.33Å; A127-H129 PolarHBondContact O-N 3.17Å; H129-T133 WeakPolarHBondContact O-CB 3.43Å; H129-T133 PolarHBondContact O-N 3.03Å; H129-T133 PolarHBondContact O-OG1 3.48Å; H129-I152 VanDerWaalsContact CA-CD1 3.46Å; H129-I152 HydrophobicContact CB-CD1 3.77Å; H129-F161 HydrophobicContact CB-CE1 3.75Å; H129-F161 HydrophobicContact CB-CZ 3.58Å; H129-F161 AromaticContact CG-CZ 3.6Å; H129-F161 AromaticContact ND1-CZ 3.92Å; H129-Y164 PolarHBondContact NE2-O 3.27Å; H129-Y164 VanDerWaalsContact NE2-O 3.11Å; H129-V165 VanDerWaalsContact CD2-CG2 3.5Å; H129-V165 WeakPolarHBondContact CD2-CG2 3.48Å
130	S	98.2	Very high	96.1	Very high	70 Å²	70	57.5 Å²	57.5	49%	0.49	30%	0.295	S	S	.	.	H	α-helix	trans	-61.8	-47.1	174.5	-177.3	0	0	0	0	111.6	K126 A127 T133 R134	K126-S130 WeakPolarHBondContact O-CB 3.41Å; K126-S130 PolarHBondContact O-N 2.91Å; A127-S130 PolarHBondContact O-N 3.12Å; S130-T133 WeakPolarHBondContact O-CB 3.45Å; S130-T133 PolarHBondContact O-N 2.94Å; S130-R134 WeakPolarHBondContact O-CG 3.2Å; S130-R134 PolarHBondContact O-N 2.85Å; S130-R134 VanDerWaalsContact O-N 3.08Å
131	W	98	Very high	96.5	Very high	74 Å²	74	57.3 Å²	57.3	28%	0.28	28%	0.282	S	S	.	.	H	α-helix	trans	-59.5	-49.1	178	176.5	89.8	0	0	0	111.8	V106 I107 M110 A127 I128 T133 R134 V135	V106-W131 HydrophobicContact CB-CH2 4.45Å; V106-W131 HydrophobicContact CG1-CH2 3.66Å; V106-W131 HydrophobicContact CG1-CZ2 3.71Å; I107-W131 HydrophobicContact CD1-CZ3 4.08Å; I107-W131 HydrophobicContact CG1-CH2 3.86Å; I107-W131 HydrophobicContact CG1-CZ3 3.51Å; M110-W131 HydrophobicContact CE-CD2 4.19Å; M110-W131 HydrophobicContact CE-CE3 4.18Å; M110-W131 HydrophobicContact CE-CZ3 4.47Å; M110-W131 HydrophobicContact SD-CD2 3.91Å; M110-W131 HydrophobicContact SD-CE3 4.45Å; M110-W131 HydrophobicContact SD-CG 4.19Å; M110-W131 HydrophobicContact SD-CZ2 4.06Å; A127-W131 WeakPolarHBondContact O-CB 3.33Å; A127-W131 PolarHBondContact O-N 3.48Å; I128-W131 PolarHBondContact O-N 3.07Å; W131-T133 VanDerWaalsContact C-N 3.28Å; W131-T133 PolarHBondContact O-N 2.85Å; W131-R134 WeakPolarHBondContact O-CB 3.25Å; W131-R134 PolarHBondContact O-N 3.5Å; W131-V135 HydrophobicContact CD2-CG2 3.88Å; W131-V135 HydrophobicContact CE3-CG2 4.15Å; W131-V135 HydrophobicContact CH2-CG2 3.89Å; W131-V135 HydrophobicContact CZ2-CG2 3.62Å; W131-V135 HydrophobicContact CZ3-CG2 4.14Å; W131-V135 WeakPolarHBondContact O-CG2 3.22Å; W131-V135 PolarHBondContact O-N 2.85Å
132	L	97.3	Very high	96.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.7	-40.3	176.9	-91.4	165.9	0	0	0	112	L91 L103 I107 I128 R134 V135 M136 V150 I152	L91-L132 HydrophobicContact CD1-CD1 3.69Å; L103-L132 HydrophobicContact CD2-CD2 4.05Å; I107-L132 HydrophobicContact CD1-CD1 4.3Å; I107-L132 HydrophobicContact CD1-CD2 4.32Å; I128-L132 HydrophobicContact CG2-CD1 4.09Å; I128-L132 WeakPolarHBondContact O-CB 3.41Å; I128-L132 PolarHBondContact O-N 3.24Å; L132-R134 VanDerWaalsContact C-N 3.3Å; L132-R134 PolarHBondContact O-N 3.4Å; L132-V135 PolarHBondContact O-N 2.89Å; L132-M136 VanDerWaalsContact O-CG 3.31Å; L132-M136 WeakPolarHBondContact O-CG 3.39Å; L132-M136 PolarHBondContact O-N 2.8Å; L132-V150 HydrophobicContact CD1-CG1 4.22Å; L132-I152 HydrophobicContact CB-CD1 4.28Å; L132-I152 HydrophobicContact CD1-CD1 3.36Å; L132-I152 HydrophobicContact CD1-CG1 3.99Å; L132-I152 HydrophobicContact CG-CD1 4.42Å
133	T	98.1	Very high	96.7	Very high	13 Å²	13	62.9 Å²	62.9	8%	0.08	30%	0.301	C	S	.	.	H	α-helix	trans	-59.1	-42.6	175.5	-57.1	0	0	0	0	111.3	H129 S130 W131 Y137 A171	H129-T133 WeakPolarHBondContact O-CB 3.43Å; H129-T133 PolarHBondContact O-N 3.03Å; H129-T133 PolarHBondContact O-OG1 3.48Å; S130-T133 WeakPolarHBondContact O-CB 3.45Å; S130-T133 PolarHBondContact O-N 2.94Å; W131-T133 VanDerWaalsContact C-N 3.28Å; W131-T133 PolarHBondContact O-N 2.85Å; T133-Y137 VanDerWaalsContact O-CB 3.24Å; T133-Y137 WeakPolarHBondContact O-CB 3.31Å; T133-Y137 PolarHBondContact O-N 2.96Å; T133-A171 HydrophobicContact CG2-CB 3.81Å; T133-A171 WeakPolarHBondContact OG1-CB 3.32Å
134	R	97.9	Very high	96.5	Very high	153 Å²	153	61 Å²	61	58%	0.577	30%	0.296	S	S	*	.	H	α-helix	trans	-67.7	-40.9	176.6	-62.6	-59.3	86.2	167.4	3.7	112.1	S130 W131 L132 Y137 N138	S130-R134 WeakPolarHBondContact O-CG 3.2Å; S130-R134 PolarHBondContact O-N 2.85Å; S130-R134 VanDerWaalsContact O-N 3.08Å; W131-R134 WeakPolarHBondContact O-CB 3.25Å; W131-R134 PolarHBondContact O-N 3.5Å; L132-R134 VanDerWaalsContact C-N 3.3Å; L132-R134 PolarHBondContact O-N 3.4Å; R134-Y137 PolarHBondContact O-N 2.97Å; R134-N138 VanDerWaalsContact O-CB 3.28Å; R134-N138 WeakPolarHBondContact O-CB 3.45Å; R134-N138 PolarHBondContact O-N 3.45Å
135	V	97.1	Very high	96.4	Very high	33 Å²	33	61 Å²	61	20%	0.2	30%	0.295	C	S	.	.	H	α-helix	trans	-60.3	-52	176.8	171.8	0	0	0	0	110.9	L103 W131 L132 Y137 N138 R139 L146	L103-V135 HydrophobicContact CD2-CG1 4.17Å; W131-V135 HydrophobicContact CD2-CG2 3.88Å; W131-V135 HydrophobicContact CE3-CG2 4.15Å; W131-V135 HydrophobicContact CH2-CG2 3.89Å; W131-V135 HydrophobicContact CZ2-CG2 3.62Å; W131-V135 HydrophobicContact CZ3-CG2 4.14Å; W131-V135 WeakPolarHBondContact O-CG2 3.22Å; W131-V135 PolarHBondContact O-N 2.85Å; L132-V135 PolarHBondContact O-N 2.89Å; V135-Y137 PolarHBondContact O-N 2.84Å; V135-N138 PolarHBondContact O-N 3.32Å; V135-R139 WeakPolarHBondContact O-CG 3.47Å; V135-R139 PolarHBondContact O-N 2.93Å; V135-R139 VanDerWaalsContact O-N 3.08Å; V135-L146 HydrophobicContact CG1-CD1 4.22Å
136	M	97	Very high	96.4	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-46.4	179	-66.9	-60.4	-166.9	0	0	111.5	L103 L132 N138 R139 R140 L146 N148 V150 V165	L103-M136 HydrophobicContact CD1-CE 3.65Å; L132-M136 VanDerWaalsContact O-CG 3.31Å; L132-M136 WeakPolarHBondContact O-CG 3.39Å; L132-M136 PolarHBondContact O-N 2.8Å; M136-N138 PolarHBondContact O-N 3.41Å; M136-R139 PolarHBondContact O-N 3.29Å; M136-R140 WeakPolarHBondContact O-CB 3.48Å; M136-R140 PolarHBondContact O-N 3.15Å; M136-L146 HydrophobicContact SD-CB 3.83Å; M136-L146 HydrophobicContact SD-CD1 4.05Å; M136-N148 HydrophobicContact CE-CB 4.07Å; M136-V150 HydrophobicContact CE-CG2 3.65Å; M136-V165 HydrophobicContact CB-CG1 4.3Å; M136-V165 HydrophobicContact CG-CG1 3.88Å
137	Y	97.9	Very high	96.3	Very high	109 Å²	109	59.7 Å²	59.7	43%	0.427	29%	0.287	S	S	.	.	H	α-helix	trans	-65.4	-38.1	179.9	-168.8	-100	0	0	0	112.9	T133 R134 V135 S141	T133-Y137 VanDerWaalsContact O-CB 3.24Å; T133-Y137 WeakPolarHBondContact O-CB 3.31Å; T133-Y137 PolarHBondContact O-N 2.96Å; R134-Y137 PolarHBondContact O-N 2.97Å; V135-Y137 PolarHBondContact O-N 2.84Å; Y137-S141 WeakPolarHBondContact O-CB 3.38Å; Y137-S141 PolarHBondContact O-N 2.99Å; Y137-S141 PolarHBondContact O-OG 3.37Å
138	N	97.4	Very high	96.3	Very high	79 Å²	79	57.9 Å²	57.9	42%	0.422	27%	0.272	S	S	.	.	H	α-helix	trans	-62.7	-46.3	175.3	-174.4	-91.3	0	0	0	111.6	R134 V135 M136 S141 K142	R134-N138 VanDerWaalsContact O-CB 3.28Å; R134-N138 WeakPolarHBondContact O-CB 3.45Å; R134-N138 PolarHBondContact O-N 3.45Å; V135-N138 PolarHBondContact O-N 3.32Å; M136-N138 PolarHBondContact O-N 3.41Å; N138-S141 PolarHBondContact O-N 3.24Å; N138-K142 PolarHBondContact O-N 3.28Å; N138-K142 VanDerWaalsContact OD1-CE 3.31Å; N138-K142 WeakPolarHBondContact OD1-CE 3.44Å; N138-K142 PolarHBondContact OD1-NZ 3.3Å
139	R	95.4	Very high	96.3	Very high	39 Å²	39	58.9 Å²	58.9	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-62.6	-44.4	178.2	-72.3	-66.6	-59.1	-93.8	-8.1	111.9	V135 M136 S141 K142 N144 L146	V135-R139 WeakPolarHBondContact O-CG 3.47Å; V135-R139 PolarHBondContact O-N 2.93Å; V135-R139 VanDerWaalsContact O-N 3.08Å; M136-R139 PolarHBondContact O-N 3.29Å; R139-S141 VanDerWaalsContact C-N 3.34Å; R139-S141 PolarHBondContact O-N 2.93Å; R139-K142 PolarHBondContact O-N 2.96Å; R139-N144 CarbonylContact C-O 3.52Å; R139-N144 WeakPolarHBondContact CB-O 3.47Å; R139-N144 PolarHBondContact NE-O 3.44Å; R139-N144 PolarHBondContact NH2-O 3.41Å; R139-N144 CarbonylContact O-C 3.19Å; R139-N144 PolarHBondContact O-N 3.03Å; R139-N144 VanDerWaalsContact O-N 3.17Å; R139-N144 VanDerWaalsContact O-O 3.13Å; R139-L146 HydrophobicContact CG-CD1 4.17Å; R139-L146 HydrophobicContact CG-CG 4.14Å; R139-L146 VanDerWaalsContact NH1-CD2 3.31Å
140	R	94.8	Very high	96.3	Very high	109 Å²	109	58.1 Å²	58.1	41%	0.411	28%	0.275	S	S	.	.	H	α-helix	trans	-56.3	-46.5	171.8	178.8	-162	167.8	-166.1	-7	111.9	M136 K142 M143 L168	M136-R140 WeakPolarHBondContact O-CB 3.48Å; M136-R140 PolarHBondContact O-N 3.15Å; R140-K142 PolarHBondContact O-N 3.32Å; R140-M143 WeakPolarHBondContact O-CA 3.45Å; R140-M143 PolarHBondContact O-N 2.93Å; R140-L168 WeakPolarHBondContact CD-O 3.35Å; R140-L168 HydrophobicContact CG-CD2 4.42Å; R140-L168 PolarHBondContact NH1-O 2.83Å; R140-L168 VanDerWaalsContact NH1-O 3.11Å
141	S	96.3	Very high	96.3	Very high	72 Å²	72	54.8 Å²	54.8	50%	0.503	25%	0.251	S	S	.	.	H	α-helix	trans	-64.2	-25.2	-175.3	-58.9	0	0	0	0	113	Y137 N138 R139 M143	Y137-S141 WeakPolarHBondContact O-CB 3.38Å; Y137-S141 PolarHBondContact O-N 2.99Å; Y137-S141 PolarHBondContact O-OG 3.37Å; N138-S141 PolarHBondContact O-N 3.24Å; R139-S141 VanDerWaalsContact C-N 3.34Å; R139-S141 PolarHBondContact O-N 2.93Å; S141-M143 VanDerWaalsContact C-N 3.25Å; S141-M143 PolarHBondContact O-N 3.39Å
142	K	95.1	Very high	96.3	Very high	139 Å²	139	51.2 Å²	51.2	60%	0.604	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	8.7	173.8	-67.5	170.1	175.7	165.8	0	113.5	N138 R139 R140 N144	N138-K142 PolarHBondContact O-N 3.28Å; N138-K142 VanDerWaalsContact OD1-CE 3.31Å; N138-K142 WeakPolarHBondContact OD1-CE 3.44Å; N138-K142 PolarHBondContact OD1-NZ 3.3Å; R139-K142 PolarHBondContact O-N 2.96Å; R140-K142 PolarHBondContact O-N 3.32Å; K142-N144 PolarHBondContact O-N 3.04Å
143	M	92.8	Very high	96.4	Very high	168 Å²	168	51.2 Å²	51.2	83%	0.828	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.6	31.3	-172.8	-58.8	-62.6	-175.2	0	0	113.1	R140 S141	R140-M143 WeakPolarHBondContact O-CA 3.45Å; R140-M143 PolarHBondContact O-N 2.93Å; S141-M143 VanDerWaalsContact C-N 3.25Å; S141-M143 PolarHBondContact O-N 3.39Å
144	N	90.4	Very high	96.4	Very high	31 Å²	31	50.6 Å²	50.6	17%	0.166	23%	0.234	C	C	.	.			trans	-139.9	65.7	178.9	-178.7	16.4	0	0	0	109.5	H40 R139 K142	H40-N144 WeakPolarHBondContact CB-ND2 3.4Å; H40-N144 WeakPolarHBondContact CB-OD1 3.44Å; R139-N144 CarbonylContact C-O 3.52Å; R139-N144 WeakPolarHBondContact CB-O 3.47Å; R139-N144 PolarHBondContact NE-O 3.44Å; R139-N144 PolarHBondContact NH2-O 3.41Å; R139-N144 CarbonylContact O-C 3.19Å; R139-N144 PolarHBondContact O-N 3.03Å; R139-N144 VanDerWaalsContact O-N 3.17Å; R139-N144 VanDerWaalsContact O-O 3.13Å; K142-N144 PolarHBondContact O-N 3.04Å
145	P	94.3	Very high	96.3	Very high	30 Å²	30	44.7 Å²	44.7	20%	0.195	21%	0.213	C	C	.	.			trans	-67.8	157.5	-174.5	31.2	-35.7	0	0	0	111.6	W147	P145-W147 HydrophobicContact CG-CE3 4.18Å; P145-W147 HydrophobicContact CG-CZ3 4.1Å
146	L	95.8	Very high	96.2	Very high	0 Å²	0	47 Å²	47	0%	0	22%	0.218	C	C	.	.			trans	-83.4	133.7	161.7	-69.4	167.4	0	0	0	108	D99 Y102 L103 V135 M136 R139 N148 K167	D99-L146 HydrophobicContact CB-CD2 3.86Å; Y102-L146 HydrophobicContact CD1-CD1 4.45Å; Y102-L146 HydrophobicContact CD1-CD2 3.97Å; Y102-L146 HydrophobicContact CE1-CD1 4.42Å; Y102-L146 HydrophobicContact CE1-CD2 4.36Å; L103-L146 HydrophobicContact CD1-CD1 4.15Å; L103-L146 HydrophobicContact CD2-CD1 3.63Å; L103-L146 HydrophobicContact CG-CD1 3.93Å; V135-L146 HydrophobicContact CG1-CD1 4.22Å; M136-L146 HydrophobicContact SD-CB 3.83Å; M136-L146 HydrophobicContact SD-CD1 4.05Å; R139-L146 HydrophobicContact CG-CD1 4.17Å; R139-L146 HydrophobicContact CG-CG 4.14Å; R139-L146 VanDerWaalsContact NH1-CD2 3.31Å; L146-N148 PolarHBondContact O-N 2.91Å; L146-N148 VanDerWaalsContact O-N 3.08Å; L146-K167 WeakPolarHBondContact O-CB 3.2Å
147	W	96.1	Very high	96.1	Very high	77 Å²	77	53.5 Å²	53.5	29%	0.292	25%	0.253	S	S	.	.			trans	-88.5	39.8	-172.2	-138.7	-83.7	0	0	0	113.2	L42 P44 G95 D96 D99 P145	L42-W147 WeakPolarHBondContact O-CZ3 3.23Å; P44-W147 HydrophobicContact CB-CB 4.4Å; P44-W147 HydrophobicContact CB-CG 4.12Å; P44-W147 HydrophobicContact CG-CG 4.23Å; G95-W147 VanDerWaalsContact CA-O 3.27Å; G95-W147 WeakPolarHBondContact CA-O 3.46Å; D96-W147 HydrophobicContact CB-CB 3.99Å; D96-W147 PolarHBondContact N-O 3.49Å; D99-W147 PolarHBondContact OD2-N 3.31Å; P145-W147 HydrophobicContact CG-CE3 4.18Å; P145-W147 HydrophobicContact CG-CZ3 4.1Å
148	N	97.1	Very high	95.8	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.005	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	147.7	-179.8	-63.6	107.7	0	0	0	112.6	S94 D96 D99 Y100 L103 M136 L146 V150 K167	S94-N148 VanDerWaalsContact O-CA 3.25Å; S94-N148 WeakPolarHBondContact O-CA 3.44Å; S94-N148 WeakPolarHBondContact O-CB 3.4Å; S94-N148 PolarHBondContact O-ND2 2.91Å; D96-N148 PolarHBondContact O-ND2 3.47Å; D99-N148 VanDerWaalsContact C-OD1 3.32Å; D99-N148 WeakPolarHBondContact CB-OD1 3.48Å; Y100-N148 PolarHBondContact N-OD1 2.91Å; L103-N148 HydrophobicContact CD1-CB 4.44Å; M136-N148 HydrophobicContact CE-CB 4.07Å; L146-N148 PolarHBondContact O-N 2.91Å; L146-N148 VanDerWaalsContact O-N 3.08Å; N148-V150 HydrophobicContact CB-CG2 4.04Å; N148-K167 PolarHBondContact O-N 3.11Å; N148-K167 VanDerWaalsContact O-N 3.15Å
149	T	97.9	Very high	95.7	Very high	22 Å²	22	53 Å²	53	14%	0.135	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.6	160	-52.1	0	0	0	0	106.9	S94 Y164 V165 D166 T179	S94-T149 PolarHBondContact N-O 2.89Å; S94-T149 PolarHBondContact O-N 3.44Å; S94-T149 VanDerWaalsContact O-N 3.15Å; S94-T149 WeakPolarHBondContact OG-CB 3.25Å; S94-T149 PolarHBondContact OG-O 3.16Å; T149-Y164 HydrophobicContact CG2-CD2 4.04Å; T149-Y164 HydrophobicContact CG2-CE1 4.23Å; T149-Y164 HydrophobicContact CG2-CE2 3.17Å; T149-Y164 WeakPolarHBondContact CG2-OH 3.31Å; T149-V165 WeakPolarHBondContact CA-O 3.28Å; T149-D166 PolarHBondContact OG1-OD1 3.24Å; T149-T179 HydrophobicContact CG2-CG2 3.74Å
150	V	97.9	Very high	95.8	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	137	-168.2	-175.9	0	0	0	0	109.8	L91 G92 L103 L132 M136 N148 I152 V165	L91-V150 HydrophobicContact CD1-CG1 3.72Å; L91-V150 HydrophobicContact CD2-CG1 3.85Å; L91-V150 HydrophobicContact CG-CG1 3.54Å; G92-V150 WeakPolarHBondContact O-CA 3.36Å; L103-V150 HydrophobicContact CD1-CG2 4.45Å; L132-V150 HydrophobicContact CD1-CG1 4.22Å; M136-V150 HydrophobicContact CE-CG2 3.65Å; N148-V150 HydrophobicContact CB-CG2 4.04Å; V150-I152 HydrophobicContact CG1-CG1 4.08Å; V150-V165 PolarHBondContact N-O 3.46Å; V150-V165 PolarHBondContact O-N 3.07Å
151	V	98.4	Very high	96	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130.3	172.9	-174.6	0	0	0	0	108	V51 I62 L91 G92 L162 G163 V177 T179	V51-V151 HydrophobicContact CB-CG2 4.3Å; V51-V151 HydrophobicContact CG1-CB 4.16Å; V51-V151 HydrophobicContact CG1-CG2 4.03Å; I62-V151 HydrophobicContact CD1-CB 4.46Å; I62-V151 HydrophobicContact CD1-CG1 3.92Å; I62-V151 HydrophobicContact CG1-CG1 4.47Å; L91-V151 WeakPolarHBondContact CA-O 3.46Å; G92-V151 PolarHBondContact N-O 3.14Å; G92-V151 PolarHBondContact O-N 3.11Å; V151-L162 HydrophobicContact CG1-CD1 3.57Å; V151-G163 WeakPolarHBondContact CA-O 3.12Å; V151-V177 HydrophobicContact CG1-CB 4.27Å; V151-V177 HydrophobicContact CG1-CG1 4.02Å; V151-V177 HydrophobicContact CG2-CG1 3.7Å; V151-T179 HydrophobicContact CG2-CG2 3.42Å; V151-T179 VanDerWaalsContact CG2-CG2 3.42Å
152	I	98.3	Very high	96.1	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	119.7	-177.1	-56.8	163.7	0	0	0	107.2	T89 I90 H129 L132 V150 F161 L162 G163 V165	T89-I152 HydrophobicContact CG2-CG2 3.86Å; I90-I152 WeakPolarHBondContact O-CA 3.48Å; H129-I152 VanDerWaalsContact CA-CD1 3.46Å; H129-I152 HydrophobicContact CB-CD1 3.77Å; L132-I152 HydrophobicContact CB-CD1 4.28Å; L132-I152 HydrophobicContact CD1-CD1 3.36Å; L132-I152 HydrophobicContact CD1-CG1 3.99Å; L132-I152 HydrophobicContact CG-CD1 4.42Å; V150-I152 HydrophobicContact CG1-CG1 4.08Å; I152-F161 HydrophobicContact CB-CE1 4.45Å; I152-F161 HydrophobicContact CG2-CE1 4.24Å; I152-L162 CarbonylContact O-C 3.58Å; I152-L162 WeakPolarHBondContact O-CA 3.19Å; I152-G163 PolarHBondContact N-O 3.23Å; I152-G163 PolarHBondContact O-N 2.89Å; I152-V165 HydrophobicContact CD1-CG2 4.34Å
153	G	98.2	Very high	96.2	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	145.8	176.8	0	0	0	0	0	109.6	T89 I90 F161	T89-G153 CarbonylContact C-O 3.59Å; T89-G153 WeakPolarHBondContact CA-O 3.23Å; I90-G153 VanDerWaalsContact CG1-O 3.28Å; I90-G153 WeakPolarHBondContact CG1-O 3.46Å; I90-G153 PolarHBondContact N-O 2.87Å; I90-G153 PolarHBondContact O-N 3.28Å; I90-G153 VanDerWaalsContact O-O 3.11Å; G153-F161 CarbonylContact C-O 3.6Å; G153-F161 VanDerWaalsContact CA-O 3.32Å; G153-F161 WeakPolarHBondContact CA-O 3.43Å
154	G	97.6	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	162.1	175.4	0	0	0	0	0	112.9	N88 F161	N88-G154 CarbonylContact O-C 3.47Å; N88-G154 WeakPolarHBondContact O-CA 3.44Å; G154-F161 PolarHBondContact N-O 3.04Å; G154-F161 PolarHBondContact O-N 2.89Å
155	F	97.5	Very high	96.9	Very high	28 Å²	28	29.8 Å²	29.8	12%	0.123	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	113.1	172.5	-171.7	-96.8	0	0	0	108.3	N88 E159 S160 V232 A234	N88-F155 WeakPolarHBondContact CB-O 3.2Å; N88-F155 PolarHBondContact O-N 2.88Å; F155-E159 WeakPolarHBondContact CA-O 3.37Å; F155-S160 WeakPolarHBondContact CD2-OG 3.24Å; F155-V232 HydrophobicContact CB-CG2 4.04Å; F155-A234 HydrophobicContact CD1-CB 4.1Å; F155-A234 HydrophobicContact CE1-CB 3.73Å
156	Y	95	Very high	97	Very high	82 Å²	82	29.8 Å²	29.8	32%	0.322	16%	0.157	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	132.3	-172.4	-173.5	-103	0	0	0	110.2	N88 G158 E159	N88-Y156 HydrophobicContact CB-CD2 4.3Å; N88-Y156 WeakPolarHBondContact ND2-CD2 3.47Å; Y156-G158 PolarHBondContact O-N 3.4Å; Y156-G158 VanDerWaalsContact O-N 3.16Å; Y156-E159 PolarHBondContact N-O 2.79Å; Y156-E159 PolarHBondContact O-N 3.44Å
157	N	92.9	Very high	97	Very high	136 Å²	136	32.9 Å²	32.9	73%	0.727	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	37.1	-179	-64.8	-8.4	0	0	0	114.5	E159	N157-E159 VanDerWaalsContact C-N 3.31Å; N157-E159 PolarHBondContact O-N 3.2Å
158	G	93.1	Very high	96.9	Very high	60 Å²	60	32.7 Å²	32.7	62%	0.619	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.3	-1.4	-179.9	0	0	0	0	0	115.1	Y156	Y156-G158 PolarHBondContact O-N 3.4Å; Y156-G158 VanDerWaalsContact O-N 3.16Å
159	E	95.5	Very high	96.8	Very high	118 Å²	118	33.2 Å²	33.2	55%	0.551	18%	0.181	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.1	132.3	-179.9	-66	-173	173.3	0	0	112.5	K126 F155 Y156 N157	K126-E159 IonicContact NZ-OE2 2.85Å; K126-E159 PolarHBondContact NZ-OE2 3.49Å; K126-E159 VanDerWaalsContact NZ-OE2 3.13Å; F155-E159 WeakPolarHBondContact CA-O 3.37Å; Y156-E159 PolarHBondContact N-O 2.79Å; Y156-E159 PolarHBondContact O-N 3.44Å; N157-E159 VanDerWaalsContact C-N 3.31Å; N157-E159 PolarHBondContact O-N 3.2Å
160	S	96.9	Very high	96.8	Very high	29 Å²	29	36 Å²	36	20%	0.203	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	126.1	170.7	-62.3	0	0	0	0	111.6	K55 G59 F155	K55-S160 WeakPolarHBondContact CE-O 3.5Å; K55-S160 PolarHBondContact NZ-O 3.34Å; G59-S160 PolarHBondContact N-OG 3.32Å; G59-S160 PolarHBondContact O-OG 2.95Å; F155-S160 WeakPolarHBondContact CD2-OG 3.24Å
161	F	98.3	Very high	96.8	Very high	6 Å²	6	37.8 Å²	37.8	3%	0.026	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.3	177.3	179.9	-92.8	0	0	0	111.2	V60 P125 K126 H129 I152 G153 G154 E173	V60-F161 WeakPolarHBondContact CG2-O 3.31Å; P125-F161 HydrophobicContact CB-CB 3.96Å; P125-F161 HydrophobicContact CB-CD1 3.58Å; P125-F161 HydrophobicContact CB-CE1 4.36Å; P125-F161 HydrophobicContact CB-CG 3.94Å; K126-F161 HydrophobicContact CB-CE2 4.37Å; K126-F161 HydrophobicContact CD-CD2 4.34Å; K126-F161 HydrophobicContact CG-CD2 3.46Å; K126-F161 VanDerWaalsContact CG-CD2 3.46Å; K126-F161 HydrophobicContact CG-CE2 3.47Å; K126-F161 VanDerWaalsContact CG-CE2 3.47Å; K126-F161 HydrophobicContact CG-CG 4.24Å; K126-F161 HydrophobicContact CG-CZ 4.3Å; H129-F161 HydrophobicContact CB-CE1 3.75Å; H129-F161 HydrophobicContact CB-CZ 3.58Å; H129-F161 AromaticContact CG-CZ 3.6Å; H129-F161 AromaticContact ND1-CZ 3.92Å; I152-F161 HydrophobicContact CB-CE1 4.45Å; I152-F161 HydrophobicContact CG2-CE1 4.24Å; G153-F161 CarbonylContact C-O 3.6Å; G153-F161 VanDerWaalsContact CA-O 3.32Å; G153-F161 WeakPolarHBondContact CA-O 3.43Å; G154-F161 PolarHBondContact N-O 3.04Å; G154-F161 PolarHBondContact O-N 2.89Å; F161-E173 HydrophobicContact CD2-CG 4.47Å; F161-E173 HydrophobicContact CE2-CG 3.69Å; F161-E173 WeakPolarHBondContact CE2-OE1 3.46Å; F161-E173 HydrophobicContact CZ-CG 4.13Å
162	L	98.4	Very high	96.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	108.9	174.8	-179.8	65.3	0	0	0	108	K55 V60 I62 V151 I152 E173 A174 V177	K55-L162 HydrophobicContact CD-CB 4.2Å; K55-L162 VanDerWaalsContact CE-CB 3.42Å; K55-L162 VanDerWaalsContact CE-N 3.26Å; K55-L162 HydrophobicContact CG-CB 3.73Å; K55-L162 HydrophobicContact CG-CD2 4.18Å; V60-L162 HydrophobicContact CG1-CB 4.31Å; V60-L162 HydrophobicContact CG1-CD1 3.9Å; V60-L162 HydrophobicContact CG1-CG 4.49Å; I62-L162 HydrophobicContact CD1-CD1 4.39Å; I62-L162 HydrophobicContact CG1-CD1 4.44Å; V151-L162 HydrophobicContact CG1-CD1 3.57Å; I152-L162 CarbonylContact O-C 3.58Å; I152-L162 WeakPolarHBondContact O-CA 3.19Å; L162-E173 WeakPolarHBondContact O-CA 3.28Å; L162-A174 PolarHBondContact O-N 3.2Å; L162-V177 HydrophobicContact CD2-CB 4.24Å; L162-V177 HydrophobicContact CD2-CG2 3.95Å; L162-V177 HydrophobicContact CG-CB 4.41Å; L162-V177 HydrophobicContact CG-CG2 3.9Å
163	G	98.3	Very high	96.8	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149.5	-176.3	0	0	0	0	0	111.9	V151 I152 Y172	V151-G163 WeakPolarHBondContact CA-O 3.12Å; I152-G163 PolarHBondContact N-O 3.23Å; I152-G163 PolarHBondContact O-N 2.89Å; G163-Y172 WeakPolarHBondContact CA-O 3.37Å
164	Y	98.6	Very high	96.8	Very high	36 Å²	36	48.2 Å²	48.2	14%	0.141	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	142.1	173.1	174.2	-85.6	0	0	0	109.4	H129 T149 D166 A171 Y172 V177 T179	H129-Y164 PolarHBondContact NE2-O 3.27Å; H129-Y164 VanDerWaalsContact NE2-O 3.11Å; T149-Y164 HydrophobicContact CG2-CD2 4.04Å; T149-Y164 HydrophobicContact CG2-CE1 4.23Å; T149-Y164 HydrophobicContact CG2-CE2 3.17Å; T149-Y164 WeakPolarHBondContact CG2-OH 3.31Å; Y164-D166 HydrophobicContact CE1-CB 3.72Å; Y164-A171 WeakPolarHBondContact O-CA 3.39Å; Y164-Y172 AromaticContact CD1-CD1 3.7Å; Y164-Y172 HydrophobicContact CD1-CD1 3.7Å; Y164-Y172 AromaticContact CD1-CE1 3.13Å; Y164-Y172 HydrophobicContact CD1-CE1 3.13Å; Y164-Y172 AromaticContact CD1-CZ 3.78Å; Y164-Y172 HydrophobicContact CD2-CE1 4.37Å; Y164-Y172 HydrophobicContact CE1-CD1 4.42Å; Y164-Y172 AromaticContact CE1-CE1 3.67Å; Y164-Y172 HydrophobicContact CE1-CE1 3.67Å; Y164-Y172 HydrophobicContact CG-CD1 4.25Å; Y164-Y172 AromaticContact CG-CE1 3.54Å; Y164-Y172 HydrophobicContact CG-CE1 3.54Å; Y164-Y172 HydrophobicContact CG-CE2 4.46Å; Y164-Y172 AromaticContact CG-CZ 3.65Å; Y164-Y172 PolarHBondContact N-O 3.25Å; Y164-Y172 PolarHBondContact O-N 3.15Å; Y164-V177 HydrophobicContact CD2-CG1 3.62Å; Y164-V177 HydrophobicContact CG-CG1 4.28Å; Y164-T179 HydrophobicContact CD2-CG2 4.3Å; Y164-T179 HydrophobicContact CE2-CG2 4.01Å
165	V	98.5	Very high	96.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	124.6	170.5	-172.7	0	0	0	0	109.7	H129 M136 T149 V150 I152 V170 A171	H129-V165 VanDerWaalsContact CD2-CG2 3.5Å; H129-V165 WeakPolarHBondContact CD2-CG2 3.48Å; M136-V165 HydrophobicContact CB-CG1 4.3Å; M136-V165 HydrophobicContact CG-CG1 3.88Å; T149-V165 WeakPolarHBondContact CA-O 3.28Å; V150-V165 PolarHBondContact N-O 3.46Å; V150-V165 PolarHBondContact O-N 3.07Å; I152-V165 HydrophobicContact CD1-CG2 4.34Å; V165-V170 WeakPolarHBondContact CA-O 3.4Å; V165-A171 HydrophobicContact CG2-CB 4.23Å
166	D	96.9	Very high	96.7	Very high	29 Å²	29	50.3 Å²	50.3	16%	0.155	28%	0.278	C	S	.	.			trans	-95.2	164.8	174.6	-169.4	28.7	0	0	0	112.8	T149 Y164 L168 G169 V170	T149-D166 PolarHBondContact OG1-OD1 3.24Å; Y164-D166 HydrophobicContact CE1-CB 3.72Å; D166-L168 PolarHBondContact O-N 2.86Å; D166-G169 PolarHBondContact O-N 2.9Å; D166-V170 HydrophobicContact CB-CB 4.42Å; D166-V170 PolarHBondContact N-O 3.36Å
167	K	94.6	Very high	96.9	Very high	65 Å²	65	46.4 Å²	46.4	28%	0.283	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	-23.1	175	71.3	-173	-179.8	-163.6	0	114.2	L146 N148 G169	L146-K167 WeakPolarHBondContact O-CB 3.2Å; N148-K167 PolarHBondContact O-N 3.11Å; N148-K167 VanDerWaalsContact O-N 3.15Å; K167-G169 VanDerWaalsContact C-N 3.33Å
168	L	95.6	Very high	97.1	Very high	73 Å²	73	40.1 Å²	40.1	38%	0.382	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-5.3	177.7	-62.1	-177.5	0	0	0	113.9	R140 D166 V170	R140-L168 WeakPolarHBondContact CD-O 3.35Å; R140-L168 HydrophobicContact CG-CD2 4.42Å; R140-L168 PolarHBondContact NH1-O 2.83Å; R140-L168 VanDerWaalsContact NH1-O 3.11Å; D166-L168 PolarHBondContact O-N 2.86Å; L168-V170 HydrophobicContact CB-CG2 4.4Å
169	G	95	Very high	97.3	Very high	12 Å²	12	37.3 Å²	37.3	12%	0.124	20%	0.2	C	C	.	.			trans	79.2	16	-172.5	0	0	0	0	0	113.9	D166 K167	D166-G169 PolarHBondContact O-N 2.9Å; K167-G169 VanDerWaalsContact C-N 3.33Å
170	V	97.7	Very high	97.3	Very high	80 Å²	80	33.6 Å²	33.6	49%	0.485	19%	0.194	S	C	.	.			trans	-71.8	127.9	168.9	174.3	0	0	0	0	107.6	V165 D166 L168	V165-V170 WeakPolarHBondContact CA-O 3.4Å; D166-V170 HydrophobicContact CB-CB 4.42Å; D166-V170 PolarHBondContact N-O 3.36Å; L168-V170 HydrophobicContact CB-CG2 4.4Å
171	A	98.3	Very high	97.2	Very high	40 Å²	40	37 Å²	37	33%	0.331	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	138.8	-177.7	0	0	0	0	0	110.9	T133 Y164 V165	T133-A171 HydrophobicContact CG2-CB 3.81Å; T133-A171 WeakPolarHBondContact OG1-CB 3.32Å; Y164-A171 WeakPolarHBondContact O-CA 3.39Å; V165-A171 HydrophobicContact CG2-CB 4.23Å
172	Y	98.4	Very high	97.1	Very high	93 Å²	93	36.8 Å²	36.8	37%	0.365	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	164.9	175.3	65.1	-91.7	0	0	0	110.6	G163 Y164 A174 V177	G163-Y172 WeakPolarHBondContact CA-O 3.37Å; Y164-Y172 AromaticContact CD1-CD1 3.7Å; Y164-Y172 HydrophobicContact CD1-CD1 3.7Å; Y164-Y172 AromaticContact CD1-CE1 3.13Å; Y164-Y172 HydrophobicContact CD1-CE1 3.13Å; Y164-Y172 AromaticContact CD1-CZ 3.78Å; Y164-Y172 HydrophobicContact CD2-CE1 4.37Å; Y164-Y172 HydrophobicContact CE1-CD1 4.42Å; Y164-Y172 AromaticContact CE1-CE1 3.67Å; Y164-Y172 HydrophobicContact CE1-CE1 3.67Å; Y164-Y172 HydrophobicContact CG-CD1 4.25Å; Y164-Y172 AromaticContact CG-CE1 3.54Å; Y164-Y172 HydrophobicContact CG-CE1 3.54Å; Y164-Y172 HydrophobicContact CG-CE2 4.46Å; Y164-Y172 AromaticContact CG-CZ 3.65Å; Y164-Y172 PolarHBondContact N-O 3.25Å; Y164-Y172 PolarHBondContact O-N 3.15Å; Y172-A174 HydrophobicContact CD2-CB 4.11Å; Y172-A174 HydrophobicContact CE2-CB 3.94Å; Y172-V177 HydrophobicContact CE2-CG2 4.5Å
173	E	98.3	Very high	97	Very high	106 Å²	106	38.6 Å²	38.6	50%	0.495	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	142.4	172.6	-63.5	179.3	-140.6	0	0	109.6	F161 L162	F161-E173 HydrophobicContact CD2-CG 4.47Å; F161-E173 HydrophobicContact CE2-CG 3.69Å; F161-E173 WeakPolarHBondContact CE2-OE1 3.46Å; F161-E173 HydrophobicContact CZ-CG 4.13Å; L162-E173 WeakPolarHBondContact O-CA 3.28Å
174	A	97.3	Very high	97	Very high	19 Å²	19	46.9 Å²	46.9	16%	0.157	25%	0.252	C	S	.	.			trans	-151.7	156	176.5	0	0	0	0	0	110.4	L162 Y172 T176 V177	L162-A174 PolarHBondContact O-N 3.2Å; Y172-A174 HydrophobicContact CD2-CB 4.11Å; Y172-A174 HydrophobicContact CE2-CB 3.94Å; A174-T176 WeakPolarHBondContact CB-O 3.46Å; A174-T176 PolarHBondContact O-N 2.6Å; A174-V177 HydrophobicContact CB-CG2 4.09Å
175	P	96.4	Very high	96.9	Very high	67 Å²	67	47.7 Å²	47.7	44%	0.435	26%	0.258	S	S	.	.	S	Bend	trans	-71	-20.8	173.6	31.3	-36.4	0	0	0	112.4	K55 V194	K55-P175 PolarHBondContact N-O 2.77Å; P175-V194 HydrophobicContact CB-CG1 3.84Å; P175-V194 HydrophobicContact CG-CG1 3.99Å
176	T	97.7	Very high	96.8	Very high	5 Å²	5	47.7 Å²	47.7	3%	0.031	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	137.4	174.3	53.4	0	0	0	0	110.8	G53 V54 A174 Q187 M190 V194	G53-T176 CarbonylContact O-C 3.53Å; G53-T176 WeakPolarHBondContact O-CA 3.35Å; V54-T176 HydrophobicContact CG1-CG2 4.42Å; V54-T176 HydrophobicContact CG2-CG2 4.33Å; A174-T176 WeakPolarHBondContact CB-O 3.46Å; A174-T176 PolarHBondContact O-N 2.6Å; T176-Q187 PolarHBondContact O-NE2 3.31Å; T176-Q187 PolarHBondContact OG1-NE2 3.15Å; T176-M190 HydrophobicContact CG2-CB 3.82Å; T176-V194 HydrophobicContact CG2-CB 4Å; T176-V194 HydrophobicContact CG2-CG1 4.18Å; T176-V194 HydrophobicContact CG2-CG2 3.51Å
177	V	97.9	Very high	96.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	137.5	178.8	175.6	0	0	0	0	109.3	L52 G53 V151 L162 Y164 Y172 A174	L52-V177 CarbonylContact C-O 3.56Å; G53-V177 PolarHBondContact N-O 3.39Å; G53-V177 PolarHBondContact O-N 3.38Å; V151-V177 HydrophobicContact CG1-CB 4.27Å; V151-V177 HydrophobicContact CG1-CG1 4.02Å; V151-V177 HydrophobicContact CG2-CG1 3.7Å; L162-V177 HydrophobicContact CD2-CB 4.24Å; L162-V177 HydrophobicContact CD2-CG2 3.95Å; L162-V177 HydrophobicContact CG-CB 4.41Å; L162-V177 HydrophobicContact CG-CG2 3.9Å; Y164-V177 HydrophobicContact CD2-CG1 3.62Å; Y164-V177 HydrophobicContact CG-CG1 4.28Å; Y172-V177 HydrophobicContact CE2-CG2 4.5Å; A174-V177 HydrophobicContact CB-CG2 4.09Å
178	A	97.9	Very high	97	Very high	4 Å²	4	47.4 Å²	47.4	3%	0.033	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	141.1	168.7	0	0	0	0	0	110.4	V51 L52 G182 Q187 M190	V51-A178 CarbonylContact O-C 3.59Å; V51-A178 VanDerWaalsContact O-CA 3.31Å; V51-A178 WeakPolarHBondContact O-CA 3.31Å; L52-A178 HydrophobicContact CD2-CB 3.59Å; A178-G182 VanDerWaalsContact CB-C 3.4Å; A178-G182 WeakPolarHBondContact CB-O 3.31Å; A178-Q187 HydrophobicContact CB-CB 4.27Å; A178-M190 HydrophobicContact CB-CE 3.77Å
179	T	97.8	Very high	97.1	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.012	26%	0.257	C	S	.	.			trans	-108.2	167.5	175.3	75.1	0	0	0	0	111.6	S50 V51 S94 T149 V151 Y164 F181 G182 A183	S50-T179 PolarHBondContact OG-O 3.04Å; V51-T179 HydrophobicContact CB-CG2 4.31Å; V51-T179 PolarHBondContact N-OG1 3.16Å; V51-T179 PolarHBondContact O-N 3.13Å; S94-T179 VanDerWaalsContact CB-OG1 3.24Å; S94-T179 WeakPolarHBondContact CB-OG1 3.44Å; S94-T179 VanDerWaalsContact OG-CB 3.23Å; S94-T179 WeakPolarHBondContact OG-CB 3.25Å; S94-T179 PolarHBondContact OG-OG1 2.79Å; T149-T179 HydrophobicContact CG2-CG2 3.74Å; V151-T179 HydrophobicContact CG2-CG2 3.42Å; V151-T179 VanDerWaalsContact CG2-CG2 3.42Å; Y164-T179 HydrophobicContact CD2-CG2 4.3Å; Y164-T179 HydrophobicContact CE2-CG2 4.01Å; T179-F181 PolarHBondContact O-N 3.48Å; T179-G182 WeakPolarHBondContact O-CA 3.43Å; T179-G182 PolarHBondContact O-N 3.06Å; T179-G182 VanDerWaalsContact O-N 3.12Å; T179-A183 PolarHBondContact O-N 3.15Å
180	G	95	Very high	97.2	Very high	40 Å²	40	45.5 Å²	45.5	41%	0.412	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	-134.6	175.2	0	0	0	0	0	112.8	G182 A183	G180-G182 VanDerWaalsContact C-N 3.26Å; G180-G182 PolarHBondContact O-N 2.84Å; G180-A183 WeakPolarHBondContact O-CB 3.24Å; G180-A183 PolarHBondContact O-N 2.96Å
181	F	94.8	Very high	97.1	Very high	101 Å²	101	47.5 Å²	47.5	44%	0.443	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-23.8	178.3	-136.7	-111.1	0	0	0	112.3	S50 T179 A183 Y184 L185 D220	S50-F181 PolarHBondContact OG-N 2.98Å; T179-F181 PolarHBondContact O-N 3.48Å; F181-A183 PolarHBondContact O-N 3.5Å; F181-Y184 PolarHBondContact O-N 2.95Å; F181-L185 HydrophobicContact CD1-CD1 3.6Å; F181-L185 HydrophobicContact CD1-CG 4.1Å; F181-L185 HydrophobicContact CE1-CD1 3.86Å; F181-L185 HydrophobicContact CE1-CG 4.3Å; F181-L185 PolarHBondContact O-N 2.93Å; F181-D220 HydrophobicContact CD1-CB 4.16Å
182	G	96.3	Very high	97	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-55.3	-32.3	171.8	0	0	0	0	0	113.9	S50 A178 T179 G180 Y184 L185 A186 Q187	S50-G182 PolarHBondContact OG-N 2.95Å; A178-G182 VanDerWaalsContact CB-C 3.4Å; A178-G182 WeakPolarHBondContact CB-O 3.31Å; T179-G182 WeakPolarHBondContact O-CA 3.43Å; T179-G182 PolarHBondContact O-N 3.06Å; T179-G182 VanDerWaalsContact O-N 3.12Å; G180-G182 VanDerWaalsContact C-N 3.26Å; G180-G182 PolarHBondContact O-N 2.84Å; G182-Y184 PolarHBondContact O-N 2.88Å; G182-Y184 VanDerWaalsContact O-N 3.17Å; G182-L185 PolarHBondContact O-N 3.4Å; G182-A186 WeakPolarHBondContact O-CA 3.46Å; G182-A186 WeakPolarHBondContact O-CB 3.48Å; G182-A186 PolarHBondContact O-N 3.26Å; G182-Q187 PolarHBondContact O-N 2.85Å
183	A	96.6	Very high	96.8	Very high	39 Å²	39	47.9 Å²	47.9	32%	0.322	25%	0.25	S	C	.	.	H	α-helix	trans	-59.5	-26.4	176.9	0	0	0	0	0	113.3	T179 G180 F181 Q187	T179-A183 PolarHBondContact O-N 3.15Å; G180-A183 WeakPolarHBondContact O-CB 3.24Å; G180-A183 PolarHBondContact O-N 2.96Å; F181-A183 PolarHBondContact O-N 3.5Å; A183-Q187 WeakPolarHBondContact O-CB 3.25Å
184	Y	96.8	Very high	96.5	Very high	174 Å²	174	44 Å²	44	68%	0.682	23%	0.234	S	C	*	.	H	α-helix	trans	-100.7	-34.8	-178.3	-52	-73.2	0	0	0	112.9	F181 G182	F181-Y184 PolarHBondContact O-N 2.95Å; G182-Y184 PolarHBondContact O-N 2.88Å; G182-Y184 VanDerWaalsContact O-N 3.17Å
185	L	96.9	Very high	96.3	Very high	52 Å²	52	50 Å²	50	27%	0.272	26%	0.258	S	S	.	.	H	α-helix	trans	-98.6	-45.8	-174.8	-63.8	-177.7	0	0	0	113.7	F181 G182 L216 R219	F181-L185 HydrophobicContact CD1-CD1 3.6Å; F181-L185 HydrophobicContact CD1-CG 4.1Å; F181-L185 HydrophobicContact CE1-CD1 3.86Å; F181-L185 HydrophobicContact CE1-CG 4.3Å; F181-L185 PolarHBondContact O-N 2.93Å; G182-L185 PolarHBondContact O-N 3.4Å; L185-L216 HydrophobicContact CB-CD2 3.89Å; L185-L216 HydrophobicContact CD1-CD2 4.04Å; L185-R219 HydrophobicContact CD1-CB 3.7Å
186	A	97.4	Very high	96.1	Very high	1 Å²	1	53 Å²	53	1%	0.008	27%	0.27	C	S	.	.	H	α-helix	trans	-88	-36.1	-174.6	0	0	0	0	0	112.1	L52 G182 L189 M190 C212 L216	L52-A186 HydrophobicContact CD1-CB 4.04Å; L52-A186 HydrophobicContact CD2-CB 3.58Å; L52-A186 HydrophobicContact CG-CB 4.49Å; G182-A186 WeakPolarHBondContact O-CA 3.46Å; G182-A186 WeakPolarHBondContact O-CB 3.48Å; G182-A186 PolarHBondContact O-N 3.26Å; A186-L189 PolarHBondContact O-N 3.46Å; A186-L189 VanDerWaalsContact O-N 3.13Å; A186-M190 HydrophobicContact CB-CE 4.45Å; A186-M190 WeakPolarHBondContact O-CG 3.22Å; A186-M190 PolarHBondContact O-N 3.07Å; A186-C212 HydrophobicContact CB-CB 3.9Å; A186-L216 HydrophobicContact CB-CD1 4.32Å; A186-L216 HydrophobicContact CB-CG 4.46Å
187	Q	97.5	Very high	95.6	Very high	14 Å²	14	57.1 Å²	57.1	7%	0.065	29%	0.288	C	S	.	.	H	α-helix	trans	-54.3	-43.9	-178.2	-170.5	68.4	32.4	0	0	113.6	T176 A178 G182 A183 M190 R191	T176-Q187 PolarHBondContact O-NE2 3.31Å; T176-Q187 PolarHBondContact OG1-NE2 3.15Å; A178-Q187 HydrophobicContact CB-CB 4.27Å; G182-Q187 PolarHBondContact O-N 2.85Å; A183-Q187 WeakPolarHBondContact O-CB 3.25Å; Q187-M190 PolarHBondContact O-N 3.46Å; Q187-R191 HydrophobicContact CG-CG 4.48Å; Q187-R191 VanDerWaalsContact NE2-NE 3.12Å; Q187-R191 WeakPolarHBondContact O-CB 3.47Å; Q187-R191 WeakPolarHBondContact O-CG 3.05Å; Q187-R191 PolarHBondContact O-N 3.47Å
188	P	97.4	Very high	94.8	Very high	74 Å²	74	62 Å²	62	48%	0.481	33%	0.328	S	S	.	.	H	α-helix	trans	-63.4	-42.1	177.4	-21.9	34.8	0	0	0	112.7	M190 R191 E192	P188-M190 VanDerWaalsContact C-N 3.33Å; P188-M190 PolarHBondContact O-N 2.94Å; P188-R191 PolarHBondContact O-N 2.93Å; P188-E192 WeakPolarHBondContact O-CB 3.44Å; P188-E192 PolarHBondContact O-N 3.5Å
189	L	97.2	Very high	94.3	Very high	45 Å²	45	67.3 Å²	67.3	24%	0.236	36%	0.356	C	S	.	.	H	α-helix	trans	-64.8	-37.7	179.3	-60.1	175.4	0	0	0	112.1	A186 V215	A186-L189 PolarHBondContact O-N 3.46Å; A186-L189 VanDerWaalsContact O-N 3.13Å; L189-V215 HydrophobicContact CD1-CB 4.31Å; L189-V215 HydrophobicContact CD1-CG1 4.29Å; L189-V215 HydrophobicContact CD1-CG2 3.99Å
190	M	96.9	Very high	94.1	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-71.8	-43.1	176.5	-65	-171.9	-61	0	0	111.5	L52 V54 T176 A178 A186 Q187 P188 V193 V194 L208	L52-M190 HydrophobicContact CB-SD 4.31Å; L52-M190 HydrophobicContact CD2-CE 4.2Å; V54-M190 HydrophobicContact CG2-CB 4.5Å; V54-M190 HydrophobicContact CG2-CG 4.16Å; V54-M190 HydrophobicContact CG2-SD 3.44Å; V54-M190 WeakPolarHBondContact CG2-SD 3.42Å; T176-M190 HydrophobicContact CG2-CB 3.82Å; A178-M190 HydrophobicContact CB-CE 3.77Å; A186-M190 HydrophobicContact CB-CE 4.45Å; A186-M190 WeakPolarHBondContact O-CG 3.22Å; A186-M190 PolarHBondContact O-N 3.07Å; Q187-M190 PolarHBondContact O-N 3.46Å; P188-M190 VanDerWaalsContact C-N 3.33Å; P188-M190 PolarHBondContact O-N 2.94Å; M190-V193 PolarHBondContact O-N 3.26Å; M190-V194 WeakPolarHBondContact O-CB 3.23Å; M190-V194 VanDerWaalsContact O-CG2 3.24Å; M190-V194 WeakPolarHBondContact O-CG2 3.48Å; M190-V194 PolarHBondContact O-N 3.28Å; M190-V194 VanDerWaalsContact O-N 3.14Å; M190-L208 HydrophobicContact CG-CG 4.4Å
191	R	96.3	Very high	94.2	Very high	121 Å²	121	68.2 Å²	68.2	46%	0.457	36%	0.355	S	S	.	.	H	α-helix	trans	-63.1	-42.9	177.9	-78.9	-174.5	180	168.4	4.5	112.5	Q187 P188 V193 V194 E195	Q187-R191 HydrophobicContact CG-CG 4.48Å; Q187-R191 VanDerWaalsContact NE2-NE 3.12Å; Q187-R191 WeakPolarHBondContact O-CB 3.47Å; Q187-R191 WeakPolarHBondContact O-CG 3.05Å; Q187-R191 PolarHBondContact O-N 3.47Å; P188-R191 PolarHBondContact O-N 2.93Å; R191-V193 PolarHBondContact O-N 2.91Å; R191-V194 PolarHBondContact O-N 2.86Å; R191-V194 VanDerWaalsContact O-N 3.17Å; R191-E195 VanDerWaalsContact O-CB 3.31Å; R191-E195 WeakPolarHBondContact O-CB 3.49Å; R191-E195 WeakPolarHBondContact O-CG 3.48Å; R191-E195 PolarHBondContact O-N 3.15Å
192	E	96.3	Very high	94.3	Very high	111 Å²	111	67.5 Å²	67.5	52%	0.519	35%	0.352	S	S	.	.	H	α-helix	trans	-53.3	-42.8	177.7	-176.5	-172.7	179.4	0	0	112	P188 N196	P188-E192 WeakPolarHBondContact O-CB 3.44Å; P188-E192 PolarHBondContact O-N 3.5Å; E192-N196 WeakPolarHBondContact O-CB 3.38Å; E192-N196 VanDerWaalsContact O-CG 3.24Å; E192-N196 PolarHBondContact O-N 3.06Å; E192-N196 PolarHBondContact O-ND2 2.78Å
193	V	94.5	Very high	94.3	Very high	31 Å²	31	72.7 Å²	72.7	19%	0.188	38%	0.376	C	S	.	.	H	α-helix	trans	-75.1	-41.3	-180	178.6	0	0	0	0	111.7	M190 R191 K197 I200 L208	M190-V193 PolarHBondContact O-N 3.26Å; R191-V193 PolarHBondContact O-N 2.91Å; V193-K197 HydrophobicContact CG1-CD 4.38Å; V193-K197 WeakPolarHBondContact O-CB 3.21Å; V193-K197 PolarHBondContact O-N 3.08Å; V193-I200 HydrophobicContact CG1-CD1 4.19Å; V193-L208 HydrophobicContact CB-CD1 4.28Å; V193-L208 HydrophobicContact CB-CD2 3.9Å; V193-L208 HydrophobicContact CG1-CD2 4.07Å; V193-L208 HydrophobicContact CG2-CD1 3.79Å; V193-L208 HydrophobicContact CG2-CD2 4.34Å
194	V	92.8	Very high	94.2	Very high	25 Å²	25	74.2 Å²	74.2	15%	0.152	38%	0.377	C	S	.	.	H	α-helix	trans	-76.3	-29.6	-173.9	172.3	0	0	0	0	113	V54 P175 T176 M190 R191 K197 I200	V54-V194 HydrophobicContact CG1-CG2 4.22Å; P175-V194 HydrophobicContact CB-CG1 3.84Å; P175-V194 HydrophobicContact CG-CG1 3.99Å; T176-V194 HydrophobicContact CG2-CB 4Å; T176-V194 HydrophobicContact CG2-CG1 4.18Å; T176-V194 HydrophobicContact CG2-CG2 3.51Å; M190-V194 WeakPolarHBondContact O-CB 3.23Å; M190-V194 VanDerWaalsContact O-CG2 3.24Å; M190-V194 WeakPolarHBondContact O-CG2 3.48Å; M190-V194 PolarHBondContact O-N 3.28Å; M190-V194 VanDerWaalsContact O-N 3.14Å; R191-V194 PolarHBondContact O-N 2.86Å; R191-V194 VanDerWaalsContact O-N 3.17Å; V194-K197 VanDerWaalsContact O-O 3.04Å; V194-I200 HydrophobicContact CB-CD1 4.06Å; V194-I200 HydrophobicContact CG2-CD1 3.31Å
195	E	92	Very high	94.2	Very high	144 Å²	144	65.9 Å²	65.9	67%	0.673	34%	0.344	S	S	*	.	H	α-helix	trans	-80.1	-27.9	176.1	-68.5	172.6	-169.9	0	0	111.9	R191	R191-E195 VanDerWaalsContact O-CB 3.31Å; R191-E195 WeakPolarHBondContact O-CB 3.49Å; R191-E195 WeakPolarHBondContact O-CG 3.48Å; R191-E195 PolarHBondContact O-N 3.15Å
196	N	91.6	Very high	94.2	Very high	129 Å²	129	65.9 Å²	65.9	69%	0.69	34%	0.341	S	S	*	.	H	α-helix	trans	-87.1	-15.2	-179.9	-73.3	-37.3	0	0	0	114.1	E192	E192-N196 WeakPolarHBondContact O-CB 3.38Å; E192-N196 VanDerWaalsContact O-CG 3.24Å; E192-N196 PolarHBondContact O-N 3.06Å; E192-N196 PolarHBondContact O-ND2 2.78Å
197	K	88.5	Confident	94.2	Very high	92 Å²	92	69.6 Å²	69.6	40%	0.4	36%	0.36	S	S	.	.			trans	-120.8	131.2	179.7	-70.3	-173.6	171.6	-177.5	0	110.6	V193 V194 I200 E204	V193-K197 HydrophobicContact CG1-CD 4.38Å; V193-K197 WeakPolarHBondContact O-CB 3.21Å; V193-K197 PolarHBondContact O-N 3.08Å; V194-K197 VanDerWaalsContact O-O 3.04Å; K197-I200 HydrophobicContact CB-CG1 4.22Å; K197-E204 IonicContact NZ-OE1 3.52Å; K197-E204 PolarHBondContact NZ-OE1 2.84Å
198	A	79.4	Confident	94.2	Very high	103 Å²	103	69.3 Å²	69.3	85%	0.851	36%	0.359	S	S	*	.	S	Bend	trans	-68.3	-40	176.1	0	0	0	0	0	112.1
199	D	88.8	Confident	94.2	Very high	116 Å²	116	65.8 Å²	65.8	62%	0.62	34%	0.336	S	S	*	.			trans	-130.3	138.9	-179.9	-73.8	-57.3	0	0	0	110.2	T57	T57-D199 PolarHBondContact OG1-OD1 3.33Å
200	I	94.3	Very high	94.1	Very high	10 Å²	10	66.3 Å²	66.3	5%	0.051	34%	0.337	C	S	.	.			trans	-121.5	129	177.7	-66.2	173.7	0	0	0	107.7	F56 T57 V193 V194 K197 E204 A205	F56-I200 HydrophobicContact CB-CG2 4.41Å; F56-I200 WeakPolarHBondContact CB-O 3.38Å; T57-I200 PolarHBondContact N-O 3.46Å; T57-I200 PolarHBondContact OG1-O 2.97Å; V193-I200 HydrophobicContact CG1-CD1 4.19Å; V194-I200 HydrophobicContact CB-CD1 4.06Å; V194-I200 HydrophobicContact CG2-CD1 3.31Å; K197-I200 HydrophobicContact CB-CG1 4.22Å; I200-E204 HydrophobicContact CG2-CB 3.9Å; I200-A205 HydrophobicContact CG2-CB 3.84Å
201	S	96.4	Very high	94.1	Very high	50 Å²	50	71.9 Å²	71.9	35%	0.35	36%	0.358	S	S	.	.			trans	-74.8	159.8	175.4	65.3	0	0	0	0	112.4	Q203 E204 A205	S201-Q203 PolarHBondContact O-N 2.92Å; S201-E204 WeakPolarHBondContact CB-OE2 3.47Å; S201-E204 PolarHBondContact N-OE2 3.27Å; S201-E204 PolarHBondContact O-N 3.34Å; S201-E204 WeakPolarHBondContact OG-CB 3.48Å; S201-E204 VanDerWaalsContact OG-CD 3.29Å; S201-E204 WeakPolarHBondContact OG-CG 3.31Å; S201-E204 PolarHBondContact OG-N 3.44Å; S201-E204 PolarHBondContact OG-OE2 3.22Å; S201-A205 PolarHBondContact O-N 3.46Å
202	K	95.8	Very high	94.2	Very high	87 Å²	87	66.1 Å²	66.1	38%	0.378	34%	0.337	S	S	.	.	H	α-helix	trans	-52	-42.4	175.2	-179.5	175.3	169.8	172.8	0	112.3	F56 R206	F56-K202 HydrophobicContact CD2-CB 3.84Å; F56-K202 HydrophobicContact CE2-CB 3.57Å; F56-K202 HydrophobicContact CE2-CD 4.37Å; F56-K202 HydrophobicContact CE2-CG 3.94Å; F56-K202 HydrophobicContact CZ-CB 4.11Å; F56-K202 HydrophobicContact CZ-CD 4.31Å; F56-K202 HydrophobicContact CZ-CG 3.94Å; K202-R206 WeakPolarHBondContact O-CB 3.44Å; K202-R206 PolarHBondContact O-N 3.28Å; K202-R206 VanDerWaalsContact O-N 3.08Å
203	Q	96.1	Very high	94.2	Very high	108 Å²	108	61.3 Å²	61.3	51%	0.505	31%	0.314	S	S	.	.	H	α-helix	trans	-70.4	-45.5	-178.5	-171.9	60.8	38.1	0	0	111.7	S201 A205 R206 D207	S201-Q203 PolarHBondContact O-N 2.92Å; Q203-A205 VanDerWaalsContact C-N 3.31Å; Q203-A205 PolarHBondContact O-N 3.21Å; Q203-R206 WeakPolarHBondContact O-CB 3.47Å; Q203-R206 PolarHBondContact O-N 2.96Å; Q203-R206 VanDerWaalsContact O-N 3.13Å; Q203-D207 PolarHBondContact NE2-OD1 3.08Å; Q203-D207 VanDerWaalsContact O-CG 3.25Å; Q203-D207 PolarHBondContact O-N 2.77Å
204	E	95.9	Very high	94.3	Very high	71 Å²	71	63.1 Å²	63.1	33%	0.332	32%	0.32	S	S	.	.	H	α-helix	trans	-62.8	-38.6	177.8	-71.2	169	126.3	0	0	112.2	K197 I200 S201 R206 D207 L208	K197-E204 IonicContact NZ-OE1 3.52Å; K197-E204 PolarHBondContact NZ-OE1 2.84Å; I200-E204 HydrophobicContact CG2-CB 3.9Å; S201-E204 WeakPolarHBondContact CB-OE2 3.47Å; S201-E204 PolarHBondContact N-OE2 3.27Å; S201-E204 PolarHBondContact O-N 3.34Å; S201-E204 WeakPolarHBondContact OG-CB 3.48Å; S201-E204 VanDerWaalsContact OG-CD 3.29Å; S201-E204 WeakPolarHBondContact OG-CG 3.31Å; S201-E204 PolarHBondContact OG-N 3.44Å; S201-E204 PolarHBondContact OG-OE2 3.22Å; E204-R206 VanDerWaalsContact C-N 3.33Å; E204-D207 PolarHBondContact O-N 3.45Å; E204-L208 WeakPolarHBondContact O-CB 3.27Å; E204-L208 PolarHBondContact O-N 3.47Å
205	A	96.8	Very high	94.5	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-63.8	-40	174.7	0	0	0	0	0	111.6	V54 F56 I61 I200 S201 Q203 L208 V209	V54-A205 HydrophobicContact CG1-CB 4.38Å; F56-A205 HydrophobicContact CB-CB 3.76Å; F56-A205 HydrophobicContact CD1-CB 4.26Å; F56-A205 HydrophobicContact CG-CB 4.26Å; I61-A205 HydrophobicContact CD1-CB 3.87Å; I200-A205 HydrophobicContact CG2-CB 3.84Å; S201-A205 PolarHBondContact O-N 3.46Å; Q203-A205 VanDerWaalsContact C-N 3.31Å; Q203-A205 PolarHBondContact O-N 3.21Å; A205-L208 PolarHBondContact O-N 2.89Å; A205-V209 VanDerWaalsContact O-CG2 3.31Å; A205-V209 WeakPolarHBondContact O-CG2 3.38Å; A205-V209 PolarHBondContact O-N 3.02Å
206	R	96.8	Very high	94.7	Very high	52 Å²	52	57.5 Å²	57.5	20%	0.196	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-51.8	175.5	-178.4	-180	-179.5	131.4	4.7	111.3	I61 K202 Q203 E204 L208 V209 E210 I229 I240	I61-R206 HydrophobicContact CD1-CB 4.03Å; K202-R206 WeakPolarHBondContact O-CB 3.44Å; K202-R206 PolarHBondContact O-N 3.28Å; K202-R206 VanDerWaalsContact O-N 3.08Å; Q203-R206 WeakPolarHBondContact O-CB 3.47Å; Q203-R206 PolarHBondContact O-N 2.96Å; Q203-R206 VanDerWaalsContact O-N 3.13Å; E204-R206 VanDerWaalsContact C-N 3.33Å; R206-L208 PolarHBondContact O-N 2.87Å; R206-V209 PolarHBondContact O-N 2.84Å; R206-V209 VanDerWaalsContact O-N 3.14Å; R206-E210 HydrophobicContact CG-CG 4.47Å; R206-E210 IonicContact CZ-OE1 3.76Å; R206-E210 IonicContact NE-OE1 2.86Å; R206-E210 PolarHBondContact NE-OE1 3.48Å; R206-E210 IonicContact NH2-OE1 3.3Å; R206-E210 PolarHBondContact NH2-OE1 2.61Å; R206-E210 WeakPolarHBondContact O-CG 3.41Å; R206-E210 PolarHBondContact O-N 3.46Å; R206-I229 HydrophobicContact CG-CD1 4.47Å; R206-I240 VanDerWaalsContact NH1-CD1 3.3Å
207	D	96.6	Very high	95	Very high	79 Å²	79	55 Å²	55	42%	0.422	28%	0.276	S	S	.	.	H	α-helix	trans	-60.6	-38.1	-179.9	-62.7	-16	0	0	0	111.1	Q203 E204 R211	Q203-D207 PolarHBondContact NE2-OD1 3.08Å; Q203-D207 VanDerWaalsContact O-CG 3.25Å; Q203-D207 PolarHBondContact O-N 2.77Å; E204-D207 PolarHBondContact O-N 3.45Å; D207-R211 VanDerWaalsContact O-CB 3.22Å; D207-R211 WeakPolarHBondContact O-CB 3.42Å; D207-R211 PolarHBondContact O-N 2.82Å
208	L	97.1	Very high	95.3	Very high	7 Å²	7	54 Å²	54	4%	0.037	27%	0.271	C	S	.	.	H	α-helix	trans	-61.9	-46.9	175.2	177.3	58.8	0	0	0	112	V54 M190 V193 E204 A205 R206 R211 C212	V54-L208 HydrophobicContact CG1-CD2 4.47Å; M190-L208 HydrophobicContact CG-CG 4.4Å; V193-L208 HydrophobicContact CB-CD1 4.28Å; V193-L208 HydrophobicContact CB-CD2 3.9Å; V193-L208 HydrophobicContact CG1-CD2 4.07Å; V193-L208 HydrophobicContact CG2-CD1 3.79Å; V193-L208 HydrophobicContact CG2-CD2 4.34Å; E204-L208 WeakPolarHBondContact O-CB 3.27Å; E204-L208 PolarHBondContact O-N 3.47Å; A205-L208 PolarHBondContact O-N 2.89Å; R206-L208 PolarHBondContact O-N 2.87Å; L208-R211 VanDerWaalsContact CD1-NH2 3.31Å; L208-R211 PolarHBondContact O-N 3.17Å; L208-C212 PolarHBondContact O-N 2.98Å; L208-C212 PolarHBondContact O-SG 3.04Å
209	V	97.1	Very high	96.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-67	-44.4	179.6	170.2	0	0	0	0	111	V54 I61 A63 A205 R206 R211 C212 L213	V54-V209 HydrophobicContact CB-CG2 4.28Å; V54-V209 HydrophobicContact CG2-CG2 3.74Å; I61-V209 HydrophobicContact CG2-CG2 4.28Å; A63-V209 HydrophobicContact CB-CG1 3.33Å; A205-V209 VanDerWaalsContact O-CG2 3.31Å; A205-V209 WeakPolarHBondContact O-CG2 3.38Å; A205-V209 PolarHBondContact O-N 3.02Å; R206-V209 PolarHBondContact O-N 2.84Å; R206-V209 VanDerWaalsContact O-N 3.14Å; V209-R211 VanDerWaalsContact C-N 3.33Å; V209-R211 PolarHBondContact O-N 3.46Å; V209-C212 WeakPolarHBondContact O-CB 3.19Å; V209-C212 PolarHBondContact O-N 3.34Å; V209-C212 VanDerWaalsContact O-N 3.14Å; V209-L213 HydrophobicContact CG1-CD1 4.12Å; V209-L213 HydrophobicContact CG1-CG 4.49Å; V209-L213 WeakPolarHBondContact O-CG 3.24Å; V209-L213 PolarHBondContact O-N 2.9Å
210	E	96.8	Very high	96.4	Very high	56 Å²	56	53.5 Å²	53.5	26%	0.262	24%	0.239	S	C	.	.	H	α-helix	trans	-61.3	-41.1	176.1	-72.2	-177.4	-170	0	0	111.5	R206 C212 L213 K214 I229	R206-E210 HydrophobicContact CG-CG 4.47Å; R206-E210 IonicContact CZ-OE1 3.76Å; R206-E210 IonicContact NE-OE1 2.86Å; R206-E210 PolarHBondContact NE-OE1 3.48Å; R206-E210 IonicContact NH2-OE1 3.3Å; R206-E210 PolarHBondContact NH2-OE1 2.61Å; R206-E210 WeakPolarHBondContact O-CG 3.41Å; R206-E210 PolarHBondContact O-N 3.46Å; E210-C212 VanDerWaalsContact C-N 3.35Å; E210-C212 PolarHBondContact O-N 3.03Å; E210-L213 PolarHBondContact O-N 2.78Å; E210-K214 PolarHBondContact O-N 3Å; E210-I229 HydrophobicContact CG-CD1 3.74Å
211	R	96.9	Very high	96.3	Very high	118 Å²	118	57.2 Å²	57.2	45%	0.445	27%	0.271	S	S	.	.	H	α-helix	trans	-60.2	-43.3	172.8	-176.7	174.9	68.2	146.6	4	111.9	D207 L208 V209 K214 V215	D207-R211 VanDerWaalsContact O-CB 3.22Å; D207-R211 WeakPolarHBondContact O-CB 3.42Å; D207-R211 PolarHBondContact O-N 2.82Å; L208-R211 VanDerWaalsContact CD1-NH2 3.31Å; L208-R211 PolarHBondContact O-N 3.17Å; V209-R211 VanDerWaalsContact C-N 3.33Å; V209-R211 PolarHBondContact O-N 3.46Å; R211-K214 PolarHBondContact O-N 2.94Å; R211-V215 WeakPolarHBondContact O-CG2 3.23Å; R211-V215 PolarHBondContact O-N 3.24Å; R211-V215 VanDerWaalsContact O-N 3.15Å
212	C	97.6	Very high	96.2	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-66.3	-41.6	178	-68.6	0	0	0	0	112.1	L52 A186 L208 V209 E210 K214 V215 L216	L52-C212 HydrophobicContact CD1-CB 3.63Å; A186-C212 HydrophobicContact CB-CB 3.9Å; L208-C212 PolarHBondContact O-N 2.98Å; L208-C212 PolarHBondContact O-SG 3.04Å; V209-C212 WeakPolarHBondContact O-CB 3.19Å; V209-C212 PolarHBondContact O-N 3.34Å; V209-C212 VanDerWaalsContact O-N 3.14Å; E210-C212 VanDerWaalsContact C-N 3.35Å; E210-C212 PolarHBondContact O-N 3.03Å; C212-K214 VanDerWaalsContact C-N 3.31Å; C212-K214 PolarHBondContact O-N 3.37Å; C212-V215 PolarHBondContact O-N 2.85Å; C212-L216 WeakPolarHBondContact O-CG 3.45Å; C212-L216 PolarHBondContact O-N 3.4Å
213	L	96.8	Very high	96	Very high	10 Å²	10	55.9 Å²	55.9	5%	0.052	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-39.9	175.4	-72.2	168.9	0	0	0	111.9	L52 A63 V209 E210 V215 L216 Y217 H227	L52-L213 HydrophobicContact CD1-CD2 4.04Å; L52-L213 HydrophobicContact CD1-CG 4.11Å; A63-L213 HydrophobicContact CB-CD1 3.85Å; V209-L213 HydrophobicContact CG1-CD1 4.12Å; V209-L213 HydrophobicContact CG1-CG 4.49Å; V209-L213 WeakPolarHBondContact O-CG 3.24Å; V209-L213 PolarHBondContact O-N 2.9Å; E210-L213 PolarHBondContact O-N 2.78Å; L213-V215 VanDerWaalsContact C-N 3.35Å; L213-V215 PolarHBondContact O-N 3.42Å; L213-L216 PolarHBondContact O-N 3.18Å; L213-Y217 PolarHBondContact O-N 3.41Å; L213-H227 HydrophobicContact CD1-CB 4.11Å; L213-H227 VanDerWaalsContact CD1-CD2 3.49Å; L213-H227 WeakPolarHBondContact CD1-CD2 3.45Å
214	K	96.6	Very high	96	Very high	69 Å²	69	53.9 Å²	53.9	30%	0.3	25%	0.247	S	C	.	.	H	α-helix	trans	-61.2	-41.8	174.2	-179	170.1	175.2	166.9	0	112.2	E210 R211 C212 Y217 Y218 E246	E210-K214 PolarHBondContact O-N 3Å; R211-K214 PolarHBondContact O-N 2.94Å; C212-K214 VanDerWaalsContact C-N 3.31Å; C212-K214 PolarHBondContact O-N 3.37Å; K214-Y217 PolarHBondContact O-N 3.18Å; K214-Y218 HydrophobicContact CD-CE2 4.37Å; K214-Y218 VanDerWaalsContact CE-OH 3.25Å; K214-Y218 WeakPolarHBondContact CE-OH 3.2Å; K214-Y218 HydrophobicContact CG-CD2 4.29Å; K214-Y218 HydrophobicContact CG-CE2 3.67Å; K214-Y218 WeakPolarHBondContact O-CD2 3.44Å; K214-Y218 PolarHBondContact O-N 3.29Å; K214-E246 WeakPolarHBondContact CE-O 2.78Å; K214-E246 PolarHBondContact NZ-O 3.01Å
215	V	96.8	Very high	95.9	Very high	48 Å²	48	52.2 Å²	52.2	29%	0.291	24%	0.241	S	C	.	.	H	α-helix	trans	-64.1	-42.1	174.8	173	0	0	0	0	111.3	L189 R211 C212 L213 Y217 Y218 R219	L189-V215 HydrophobicContact CD1-CB 4.31Å; L189-V215 HydrophobicContact CD1-CG1 4.29Å; L189-V215 HydrophobicContact CD1-CG2 3.99Å; R211-V215 WeakPolarHBondContact O-CG2 3.23Å; R211-V215 PolarHBondContact O-N 3.24Å; R211-V215 VanDerWaalsContact O-N 3.15Å; C212-V215 PolarHBondContact O-N 2.85Å; L213-V215 VanDerWaalsContact C-N 3.35Å; L213-V215 PolarHBondContact O-N 3.42Å; V215-Y217 VanDerWaalsContact C-N 3.35Å; V215-Y218 PolarHBondContact O-N 3.07Å; V215-R219 PolarHBondContact O-N 3.42Å
216	L	96.9	Very high	95.9	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	26%	0.261	C	S	.	.	H	α-helix	trans	-61.8	-43.4	175.4	-68.9	175.4	0	0	0	111.6	L52 L185 A186 C212 L213 Y218 R219 D220	L52-L216 HydrophobicContact CD1-CD1 3.96Å; L52-L216 HydrophobicContact CD2-CD1 4.17Å; L52-L216 HydrophobicContact CG-CD1 4.3Å; L185-L216 HydrophobicContact CB-CD2 3.89Å; L185-L216 HydrophobicContact CD1-CD2 4.04Å; A186-L216 HydrophobicContact CB-CD1 4.32Å; A186-L216 HydrophobicContact CB-CG 4.46Å; C212-L216 WeakPolarHBondContact O-CG 3.45Å; C212-L216 PolarHBondContact O-N 3.4Å; L213-L216 PolarHBondContact O-N 3.18Å; L216-Y218 PolarHBondContact O-N 3.3Å; L216-R219 PolarHBondContact O-N 3.41Å; L216-R219 VanDerWaalsContact O-N 3.15Å; L216-D220 WeakPolarHBondContact O-CA 3.27Å; L216-D220 VanDerWaalsContact O-CB 3.31Å; L216-D220 WeakPolarHBondContact O-CB 3.38Å; L216-D220 PolarHBondContact O-N 3.08Å
217	Y	96.3	Very high	95.9	Very high	77 Å²	77	55.4 Å²	55.4	30%	0.302	25%	0.253	S	S	.	.	H	α-helix	trans	-58.1	-37.2	177.1	177.2	-110.2	0	0	0	112.7	L213 K214 V215 N225 T247	L213-Y217 PolarHBondContact O-N 3.41Å; K214-Y217 PolarHBondContact O-N 3.18Å; V215-Y217 VanDerWaalsContact C-N 3.35Å; Y217-N225 HydrophobicContact CD1-CB 4.43Å; Y217-N225 HydrophobicContact CD2-CB 3.82Å; Y217-N225 HydrophobicContact CE1-CB 4.23Å; Y217-N225 HydrophobicContact CE2-CB 3.6Å; Y217-N225 HydrophobicContact CG-CB 4.23Å; Y217-T247 HydrophobicContact CD1-CG2 3.72Å; Y217-T247 HydrophobicContact CE1-CG2 3.49Å; Y217-T247 VanDerWaalsContact CE1-CG2 3.49Å
218	Y	95.9	Very high	95.9	Very high	72 Å²	72	52.7 Å²	52.7	28%	0.282	24%	0.238	S	C	.	.	H	α-helix	trans	-74.4	-28.9	177.9	-67.6	-46.4	0	0	0	114.9	K214 V215 L216 T247 N248 W249	K214-Y218 HydrophobicContact CD-CE2 4.37Å; K214-Y218 VanDerWaalsContact CE-OH 3.25Å; K214-Y218 WeakPolarHBondContact CE-OH 3.2Å; K214-Y218 HydrophobicContact CG-CD2 4.29Å; K214-Y218 HydrophobicContact CG-CE2 3.67Å; K214-Y218 WeakPolarHBondContact O-CD2 3.44Å; K214-Y218 PolarHBondContact O-N 3.29Å; V215-Y218 PolarHBondContact O-N 3.07Å; L216-Y218 PolarHBondContact O-N 3.3Å; Y218-T247 HydrophobicContact CE1-CG2 4.14Å; Y218-T247 VanDerWaalsContact OH-CA 3.31Å; Y218-T247 WeakPolarHBondContact OH-CA 3.42Å; Y218-N248 PolarHBondContact OH-N 3.38Å; Y218-N248 PolarHBondContact OH-O 2.82Å; Y218-W249 HydrophobicContact CD1-CH2 4.2Å; Y218-W249 HydrophobicContact CD1-CZ2 4.12Å; Y218-W249 HydrophobicContact CE1-CZ2 4.08Å
219	R	95.6	Very high	96	Very high	193 Å²	193	52.4 Å²	52.4	73%	0.728	24%	0.236	S	C	*	.	H	α-helix	trans	-119.3	-20	-166.2	-65.1	-60.9	-172.4	178.8	-0.4	114.7	L185 V215 L216	L185-R219 HydrophobicContact CD1-CB 3.7Å; V215-R219 PolarHBondContact O-N 3.42Å; L216-R219 PolarHBondContact O-N 3.41Å; L216-R219 VanDerWaalsContact O-N 3.15Å
220	D	95.2	Very high	96	Very high	15 Å²	15	52.4 Å²	52.4	8%	0.08	24%	0.236	C	C	.	.			trans	-100.2	112.1	174.9	-178	2.8	0	0	0	110.1	F181 L216 R222 S223	F181-D220 HydrophobicContact CD1-CB 4.16Å; L216-D220 WeakPolarHBondContact O-CA 3.27Å; L216-D220 VanDerWaalsContact O-CB 3.31Å; L216-D220 WeakPolarHBondContact O-CB 3.38Å; L216-D220 PolarHBondContact O-N 3.08Å; D220-R222 PolarHBondContact O-N 2.81Å; D220-R222 PolarHBondContact OD1-N 3.14Å; D220-S223 WeakPolarHBondContact O-CB 3Å; D220-S223 PolarHBondContact O-N 2.97Å
221	A	93.1	Very high	96.1	Very high	88 Å²	88	49.9 Å²	49.9	73%	0.727	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-6.7	179.2	0	0	0	0	0	114.2
222	R	92.8	Very high	96.2	Very high	90 Å²	90	44.2 Å²	44.2	34%	0.34	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.7	10.8	176.6	-56.6	-62.4	173.8	-133	-5.2	112.6	T49 L67 G71 S72 D220	T49-R222 HydrophobicContact CG2-CB 3.38Å; T49-R222 HydrophobicContact CG2-CG 4.27Å; L67-R222 WeakPolarHBondContact CD2-O 3.49Å; G71-R222 PolarHBondContact O-NE 3.29Å; S72-R222 VanDerWaalsContact CA-NH2 3.33Å; S72-R222 PolarHBondContact O-NH1 2.86Å; S72-R222 VanDerWaalsContact O-NH1 3.07Å; D220-R222 PolarHBondContact O-N 2.81Å; D220-R222 PolarHBondContact OD1-N 3.14Å
223	S	92.3	Very high	96.1	Very high	18 Å²	18	45.4 Å²	45.4	13%	0.126	21%	0.21	C	C	.	.			trans	-90.3	154.4	170.8	-174.4	0	0	0	0	111.2	D65 D220	D65-S223 VanDerWaalsContact OD2-CA 3.24Å; D65-S223 WeakPolarHBondContact OD2-CA 3.41Å; D220-S223 WeakPolarHBondContact O-CB 3Å; D220-S223 PolarHBondContact O-N 2.97Å
224	Y	95.4	Very high	96.1	Very high	67 Å²	67	49 Å²	49	26%	0.263	24%	0.242	S	C	.	.			trans	-129.6	145	177.6	-161	-116.6	0	0	0	112.3	D65 L67 R77 R226	D65-Y224 PolarHBondContact OD2-N 3.17Å; L67-Y224 HydrophobicContact CB-CG 4.35Å; R77-Y224 HydrophobicContact CB-CE1 4.02Å; Y224-R226 HydrophobicContact CD1-CB 3.88Å; Y224-R226 HydrophobicContact CD1-CG 4.18Å; Y224-R226 HydrophobicContact CE1-CB 4.09Å; Y224-R226 HydrophobicContact CE1-CG 3.92Å; Y224-R226 PolarHBondContact O-N 3.17Å
225	N	94.9	Very high	96	Very high	35 Å²	35	54.7 Å²	54.7	19%	0.187	27%	0.269	C	S	.	.	S	Bend	trans	-78.1	33.1	-179	-161.5	13.9	0	0	0	113.4	Y217 S244 S245	Y217-N225 HydrophobicContact CD1-CB 4.43Å; Y217-N225 HydrophobicContact CD2-CB 3.82Å; Y217-N225 HydrophobicContact CE1-CB 4.23Å; Y217-N225 HydrophobicContact CE2-CB 3.6Å; Y217-N225 HydrophobicContact CG-CB 4.23Å; N225-S244 WeakPolarHBondContact O-CB 3.28Å; N225-S244 PolarHBondContact O-OG 3.1Å; N225-S244 VanDerWaalsContact O-OG 3.08Å; N225-S245 PolarHBondContact ND2-O 3.11Å; N225-S245 PolarHBondContact OD1-N 2.86Å; N225-S245 PolarHBondContact OD1-O 2.76Å
226	R	96.2	Very high	95.9	Very high	113 Å²	113	53.1 Å²	53.1	43%	0.426	26%	0.263	S	S	.	.			trans	-134.6	123.8	167.2	-67.1	-171	179.6	178.9	-3.4	108.9	D65 M66 Y224 L243	D65-R226 CarbonylContact C-O 3.58Å; D65-R226 WeakPolarHBondContact CA-O 3.48Å; M66-R226 PolarHBondContact N-O 3.3Å; M66-R226 HydrophobicContact SD-CB 4.49Å; Y224-R226 HydrophobicContact CD1-CB 3.88Å; Y224-R226 HydrophobicContact CD1-CG 4.18Å; Y224-R226 HydrophobicContact CE1-CB 4.09Å; Y224-R226 HydrophobicContact CE1-CG 3.92Å; Y224-R226 PolarHBondContact O-N 3.17Å; R226-L243 VanDerWaalsContact CA-O 3.28Å; R226-L243 WeakPolarHBondContact CA-O 3.37Å
227	H	96.8	Very high	95.9	Very high	6 Å²	6	54.3 Å²	54.3	3%	0.028	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	159.2	-174.4	57.7	-92.4	0	0	0	112.2	A64 D65 L213 L243 S245	A64-H227 WeakPolarHBondContact O-CA 3.45Å; A64-H227 WeakPolarHBondContact O-CB 3.41Å; D65-H227 HydrophobicContact CB-CB 4.46Å; L213-H227 HydrophobicContact CD1-CB 4.11Å; L213-H227 VanDerWaalsContact CD1-CD2 3.49Å; L213-H227 WeakPolarHBondContact CD1-CD2 3.45Å; H227-L243 PolarHBondContact N-O 2.84Å; H227-L243 PolarHBondContact O-N 3.37Å; H227-S245 PolarHBondContact CE1-OG 3.25Å
228	E	97.9	Very high	96	Very high	23 Å²	23	55.4 Å²	55.4	11%	0.107	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	148	173.5	-63.9	177.2	148.7	0	0	109.2	A63 A64 M66 S80 L82 I239 I240	A63-E228 VanDerWaalsContact CA-O 3.27Å; A63-E228 WeakPolarHBondContact CA-O 3.49Å; A63-E228 WeakPolarHBondContact CB-O 3.32Å; A64-E228 PolarHBondContact N-O 2.79Å; A64-E228 VanDerWaalsContact N-O 3.11Å; A64-E228 PolarHBondContact O-N 3.19Å; M66-E228 HydrophobicContact CE-CG 3.93Å; M66-E228 WeakPolarHBondContact CE-OE1 3.49Å; M66-E228 HydrophobicContact CG-CG 3.83Å; M66-E228 HydrophobicContact SD-CG 3.66Å; S80-E228 WeakPolarHBondContact CA-OE2 3.45Å; S80-E228 VanDerWaalsContact CB-OE2 3.25Å; S80-E228 WeakPolarHBondContact CB-OE2 3.42Å; S80-E228 PolarHBondContact OG-OE2 3.01Å; L82-E228 HydrophobicContact CD1-CB 3.77Å; E228-I239 HydrophobicContact CB-CG2 4.48Å; E228-I240 WeakPolarHBondContact CA-O 3.36Å
229	I	98.1	Very high	96	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	117.1	175	-57.5	-179.4	0	0	0	107.5	I61 I62 A63 R206 E210 I231 I240 L243	I61-I229 HydrophobicContact CG2-CG2 3.48Å; I61-I229 VanDerWaalsContact CG2-CG2 3.48Å; I62-I229 CarbonylContact O-C 3.53Å; A63-I229 HydrophobicContact CB-CG1 3.98Å; R206-I229 HydrophobicContact CG-CD1 4.47Å; E210-I229 HydrophobicContact CG-CD1 3.74Å; I229-I231 HydrophobicContact CG2-CD1 4.44Å; I229-I231 HydrophobicContact CG2-CG1 4.03Å; I229-I240 PolarHBondContact N-O 3.07Å; I229-I240 PolarHBondContact O-N 3.05Å; I229-L243 HydrophobicContact CD1-CD1 3.75Å; I229-L243 HydrophobicContact CG1-CD1 4.08Å
230	A	98.1	Very high	96.1	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.008	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	131	171.2	0	0	0	0	0	109.8	I61 I62 L82 I90 E238 I239	I61-A230 CarbonylContact C-O 3.5Å; I61-A230 WeakPolarHBondContact CA-O 3.35Å; I62-A230 PolarHBondContact N-O 2.89Å; I62-A230 PolarHBondContact O-N 3.41Å; L82-A230 HydrophobicContact CD1-CB 3.8Å; I90-A230 HydrophobicContact CD1-CB 3.96Å; I90-A230 HydrophobicContact CG2-CB 4.26Å; A230-E238 CarbonylContact C-O 3.56Å; A230-E238 WeakPolarHBondContact CA-O 3.37Å; A230-I239 HydrophobicContact CB-CG1 4.01Å
231	I	98.1	Very high	95.9	Very high	2 Å²	2	48.9 Å²	48.9	1%	0.01	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	131.6	179.3	-50.8	-177.2	0	0	0	107.7	F56 I61 I229 T233 V237 E238 I240	F56-I231 HydrophobicContact CE1-CG2 4.06Å; F56-I231 HydrophobicContact CZ-CG2 3.97Å; I61-I231 HydrophobicContact CD1-CD1 4.31Å; I61-I231 HydrophobicContact CD1-CG1 4.37Å; I61-I231 HydrophobicContact CG1-CG1 4.11Å; I61-I231 HydrophobicContact CG1-CG2 4.24Å; I229-I231 HydrophobicContact CG2-CD1 4.44Å; I229-I231 HydrophobicContact CG2-CG1 4.03Å; I231-T233 HydrophobicContact CG2-CG2 4.07Å; I231-V237 WeakPolarHBondContact O-CA 3.39Å; I231-E238 PolarHBondContact N-O 2.95Å; I231-E238 PolarHBondContact O-N 3.49Å; I231-I240 HydrophobicContact CD1-CD1 3.93Å
232	V	97.9	Very high	96	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129.2	173.1	61.1	0	0	0	0	109.8	G59 V60 N88 I90 F155 V237	G59-V232 CarbonylContact C-O 3.57Å; G59-V232 WeakPolarHBondContact CA-O 3.47Å; V60-V232 HydrophobicContact CB-CG1 3.71Å; V60-V232 HydrophobicContact CG2-CG1 4.47Å; V60-V232 PolarHBondContact N-O 2.94Å; V60-V232 PolarHBondContact O-N 2.84Å; N88-V232 WeakPolarHBondContact O-CG2 3.39Å; I90-V232 HydrophobicContact CD1-CB 4.28Å; I90-V232 HydrophobicContact CD1-CG1 3.92Å; I90-V232 HydrophobicContact CG1-CB 4.3Å; I90-V232 HydrophobicContact CG1-CG1 3.99Å; I90-V232 HydrophobicContact CG2-CB 4.44Å; F155-V232 HydrophobicContact CB-CG2 4.04Å; V232-V237 HydrophobicContact CB-CG2 4.11Å; V232-V237 HydrophobicContact CG2-CG2 3.79Å
233	T	97.4	Very high	96.1	Very high	24 Å²	24	46.4 Å²	46.4	15%	0.147	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	-177.9	179.2	62.8	0	0	0	0	110	F56 I231 E235 G236	F56-T233 HydrophobicContact CE2-CG2 4.4Å; F56-T233 HydrophobicContact CZ-CG2 3.85Å; I231-T233 HydrophobicContact CG2-CG2 4.07Å; T233-E235 PolarHBondContact O-N 3.26Å; T233-E235 PolarHBondContact OG1-N 3.03Å; T233-G236 PolarHBondContact N-O 2.83Å; T233-G236 PolarHBondContact O-N 2.9Å; T233-G236 VanDerWaalsContact O-N 3.12Å
234	A	95.4	Very high	96.2	Very high	86 Å²	86	49.2 Å²	49.2	71%	0.711	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-27.3	172.6	0	0	0	0	0	113.9	F155 G236	F155-A234 HydrophobicContact CD1-CB 4.1Å; F155-A234 HydrophobicContact CE1-CB 3.73Å; A234-G236 VanDerWaalsContact C-N 3.28Å
235	E	94.7	Very high	96.1	Very high	189 Å²	189	46.8 Å²	46.8	88%	0.883	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-15.6	179.8	-62.7	175.5	-177.2	0	0	112.6	T233	T233-E235 PolarHBondContact O-N 3.26Å; T233-E235 PolarHBondContact OG1-N 3.03Å
236	G	95	Very high	96	Very high	15 Å²	15	53.5 Å²	53.5	16%	0.155	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	128.3	-157.2	179.9	0	0	0	0	0	113.3	D87 T233 A234	D87-G236 CarbonylContact O-C 3.54Å; D87-G236 WeakPolarHBondContact O-CA 3.49Å; T233-G236 PolarHBondContact N-O 2.83Å; T233-G236 PolarHBondContact O-N 2.9Å; T233-G236 VanDerWaalsContact O-N 3.12Å; A234-G236 VanDerWaalsContact C-N 3.28Å
237	V	97.3	Very high	95.7	Very high	26 Å²	26	50.7 Å²	50.7	16%	0.158	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	129	-178	172.2	0	0	0	0	111.1	K84 I90 I231 V232 I239	K84-V237 HydrophobicContact CB-CG1 4.05Å; K84-V237 HydrophobicContact CD-CB 4Å; K84-V237 HydrophobicContact CD-CG1 4.07Å; K84-V237 HydrophobicContact CG-CB 4.03Å; K84-V237 HydrophobicContact CG-CG1 3.84Å; K84-V237 HydrophobicContact CG-CG2 4.37Å; I90-V237 HydrophobicContact CG2-CB 4.15Å; I90-V237 HydrophobicContact CG2-CG1 3.27Å; I90-V237 HydrophobicContact CG2-CG2 3.71Å; I231-V237 WeakPolarHBondContact O-CA 3.39Å; V232-V237 HydrophobicContact CB-CG2 4.11Å; V232-V237 HydrophobicContact CG2-CG2 3.79Å; V237-I239 HydrophobicContact CG1-CG1 4.36Å
238	E	97.1	Very high	95.5	Very high	100 Å²	100	54.2 Å²	54.2	47%	0.467	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	128.8	174.1	-172.6	-173.9	-174.9	0	0	109.6	A230 I231 I240	A230-E238 CarbonylContact C-O 3.56Å; A230-E238 WeakPolarHBondContact CA-O 3.37Å; I231-E238 PolarHBondContact N-O 2.95Å; I231-E238 PolarHBondContact O-N 3.49Å; E238-I240 HydrophobicContact CG-CD1 4.4Å; E238-I240 HydrophobicContact CG-CG1 3.89Å
239	I	97.1	Very high	95.2	Very high	69 Å²	69	60.3 Å²	60.3	35%	0.354	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	116.4	172.3	-56.2	179.8	0	0	0	108.2	K84 E228 A230 V237	K84-I239 HydrophobicContact CB-CD1 4.33Å; E228-I239 HydrophobicContact CB-CG2 4.48Å; A230-I239 HydrophobicContact CB-CG1 4.01Å; V237-I239 HydrophobicContact CG1-CG1 4.36Å
240	I	96.8	Very high	94.9	Very high	32 Å²	32	65.7 Å²	65.7	16%	0.164	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	124.3	-175.4	-52.1	173.6	0	0	0	108.5	R206 E228 I229 I231 E238 L243	R206-I240 VanDerWaalsContact NH1-CD1 3.3Å; E228-I240 WeakPolarHBondContact CA-O 3.36Å; I229-I240 PolarHBondContact N-O 3.07Å; I229-I240 PolarHBondContact O-N 3.05Å; I231-I240 HydrophobicContact CD1-CD1 3.93Å; E238-I240 HydrophobicContact CG-CD1 4.4Å; E238-I240 HydrophobicContact CG-CG1 3.89Å; I240-L243 HydrophobicContact CG2-CD1 4.07Å; I240-L243 HydrophobicContact CG2-CD2 4.29Å; I240-L243 HydrophobicContact CG2-CG 4.35Å
241	G	91.5	Very high	94.4	Very high	43 Å²	43	71.3 Å²	71.3	44%	0.443	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	170.8	171.6	175.8	0	0	0	0	0	113.2
242	P	94.5	Very high	93.9	Very high	82 Å²	82	74 Å²	74	53%	0.532	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-77.1	134.4	-4.4	30.5	-33.7	0	0	0	112.4	M66	M66-P242 HydrophobicContact SD-CB 3.72Å
243	L	96	Very high	93.3	Very high	44 Å²	44	82 Å²	82	23%	0.23	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	160.6	172.9	-60.9	175.1	0	0	0	110.8	R226 H227 I229 I240	R226-L243 VanDerWaalsContact CA-O 3.28Å; R226-L243 WeakPolarHBondContact CA-O 3.37Å; H227-L243 PolarHBondContact N-O 2.84Å; H227-L243 PolarHBondContact O-N 3.37Å; I229-L243 HydrophobicContact CD1-CD1 3.75Å; I229-L243 HydrophobicContact CG1-CD1 4.08Å; I240-L243 HydrophobicContact CG2-CD1 4.07Å; I240-L243 HydrophobicContact CG2-CD2 4.29Å; I240-L243 HydrophobicContact CG2-CG 4.35Å
244	S	94.7	Very high	92.8	Very high	76 Å²	76	87.5 Å²	87.5	53%	0.531	48%	0.481	S	S	.	.			trans	-139.4	143.3	175.8	-59.5	0	0	0	0	109.6	N225	N225-S244 WeakPolarHBondContact O-CB 3.28Å; N225-S244 PolarHBondContact O-OG 3.1Å; N225-S244 VanDerWaalsContact O-OG 3.08Å
245	S	91.6	Very high	91.8	Very high	17 Å²	17	88.1 Å²	88.1	12%	0.119	48%	0.476	C	S	.	.			trans	-92.5	137.9	178.3	-60.5	0	0	0	0	110.4	N225 H227 T247	N225-S245 PolarHBondContact ND2-O 3.11Å; N225-S245 PolarHBondContact OD1-N 2.86Å; N225-S245 PolarHBondContact OD1-O 2.76Å; H227-S245 PolarHBondContact CE1-OG 3.25Å; S245-T247 PolarHBondContact O-N 2.91Å
246	E	92.9	Very high	90.8	Very high	175 Å²	175	84.3 Å²	84.3	82%	0.818	47%	0.47	S	S	*	.			trans	-71.1	127.8	170.3	-66.7	-170.5	168.3	0	0	110.3	K214	K214-E246 WeakPolarHBondContact CE-O 2.78Å; K214-E246 PolarHBondContact NZ-O 3.01Å
247	T	91.6	Very high	89.2	Confident	55 Å²	55	87.4 Å²	87.4	34%	0.337	50%	0.502	S	S	.	.			trans	-104.9	148.5	-175.9	60	0	0	0	0	111.1	Y217 Y218 S245 W249	Y217-T247 HydrophobicContact CD1-CG2 3.72Å; Y217-T247 HydrophobicContact CE1-CG2 3.49Å; Y217-T247 VanDerWaalsContact CE1-CG2 3.49Å; Y218-T247 HydrophobicContact CE1-CG2 4.14Å; Y218-T247 VanDerWaalsContact OH-CA 3.31Å; Y218-T247 WeakPolarHBondContact OH-CA 3.42Å; S245-T247 PolarHBondContact O-N 2.91Å; T247-W249 PolarHBondContact OG1-NE1 3.08Å
248	N	92.4	Very high	87	Confident	80 Å²	80	95.1 Å²	95.1	43%	0.428	53%	0.534	S	S	.	.			trans	-122.8	127.4	179.5	179.4	-42.7	0	0	0	108.5	Y218 D250	Y218-N248 PolarHBondContact OH-N 3.38Å; Y218-N248 PolarHBondContact OH-O 2.82Å; N248-D250 PolarHBondContact ND2-OD2 3.02Å; N248-D250 WeakPolarHBondContact OD1-CB 3.42Å; N248-D250 PolarHBondContact OD1-N 3.05Å; N248-D250 PolarHBondContact OD1-OD2 3.04Å
249	W	90.9	Very high	84.4	Confident	151 Å²	151	103.1 Å²	103.1	57%	0.572	57%	0.572	S	S	*	*			trans	-125.5	21.8	178.7	-60.7	95.6	0	0	0	112.1	Y218 T247 I251 A252	Y218-W249 HydrophobicContact CD1-CH2 4.2Å; Y218-W249 HydrophobicContact CD1-CZ2 4.12Å; Y218-W249 HydrophobicContact CE1-CZ2 4.08Å; T247-W249 PolarHBondContact OG1-NE1 3.08Å; W249-I251 PolarHBondContact O-N 2.92Å; W249-I251 VanDerWaalsContact O-N 3.11Å; W249-A252 WeakPolarHBondContact O-CB 3.49Å; W249-A252 PolarHBondContact O-N 3.12Å
250	D	91.1	Very high	83.7	Confident	112 Å²	112	104.9 Å²	104.9	60%	0.599	58%	0.582	S	S	*	*	G	3₁₀ helix	trans	-59.3	-30.1	-175.2	-59.9	-21.4	0	0	0	111.8	N248 A252	N248-D250 PolarHBondContact ND2-OD2 3.02Å; N248-D250 WeakPolarHBondContact OD1-CB 3.42Å; N248-D250 PolarHBondContact OD1-N 3.05Å; N248-D250 PolarHBondContact OD1-OD2 3.04Å; D250-A252 PolarHBondContact O-N 3.33Å
251	I	88.7	Confident	83	Confident	120 Å²	120	108.7 Å²	108.7	62%	0.615	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-69	-13.7	176	63.5	169	0	0	0	113.8	W249 H253 L254	W249-I251 PolarHBondContact O-N 2.92Å; W249-I251 VanDerWaalsContact O-N 3.11Å; I251-H253 PolarHBondContact O-N 2.82Å; I251-L254 HydrophobicContact CB-CD1 4.25Å; I251-L254 HydrophobicContact CG2-CD1 4.19Å; I251-L254 WeakPolarHBondContact O-CB 3.43Å; I251-L254 PolarHBondContact O-N 2.97Å; I251-L254 VanDerWaalsContact O-N 3.07Å
252	A	86.9	Confident	82.6	Confident	59 Å²	59	112.3 Å²	112.3	49%	0.488	61%	0.613	S	S	.	*	G	3₁₀ helix	trans	-62	-31.1	179.5	0	0	0	0	0	111.8	W249 D250 L254 V255	W249-A252 WeakPolarHBondContact O-CB 3.49Å; W249-A252 PolarHBondContact O-N 3.12Å; D250-A252 PolarHBondContact O-N 3.33Å; A252-L254 VanDerWaalsContact C-N 3.29Å; A252-L254 PolarHBondContact O-N 3.13Å; A252-V255 PolarHBondContact O-N 2.9Å
253	H	86.5	Confident	81.9	Confident	168 Å²	168	114.1 Å²	114.1	78%	0.778	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-74	-17.9	177.1	-58.6	-61	0	0	0	113.7	I251 V255	I251-H253 PolarHBondContact O-N 2.82Å; H253-V255 VanDerWaalsContact C-N 3.28Å
254	L	85.5	Confident	81	Confident	139 Å²	139	118.5 Å²	118.5	73%	0.728	64%	0.642	S	S	*	*	G	3₁₀ helix	trans	-77.1	-17.2	178.1	-61.3	174.6	0	0	0	112.4	I251 A252 S256	I251-L254 HydrophobicContact CB-CD1 4.25Å; I251-L254 HydrophobicContact CG2-CD1 4.19Å; I251-L254 WeakPolarHBondContact O-CB 3.43Å; I251-L254 PolarHBondContact O-N 2.97Å; I251-L254 VanDerWaalsContact O-N 3.07Å; A252-L254 VanDerWaalsContact C-N 3.29Å; A252-L254 PolarHBondContact O-N 3.13Å; L254-S256 PolarHBondContact O-N 3Å
255	V	74.3	Confident	80.1	Confident	98 Å²	98	121.3 Å²	121.3	59%	0.594	65%	0.65	S	S	*	*			trans	-93	92.9	178.7	-174.3	0	0	0	0	108.7	A252 H253 F258	A252-V255 PolarHBondContact O-N 2.9Å; H253-V255 VanDerWaalsContact C-N 3.28Å; V255-F258 HydrophobicContact CG1-CD2 3.82Å; V255-F258 HydrophobicContact CG1-CE2 3.69Å
256	S	75.3	Confident	79.2	Confident	110 Å²	110	128.8 Å²	128.8	77%	0.769	69%	0.688	S	S	*	*			trans	-114.1	141.1	170.6	58.3	0	0	0	0	110.2	L254	L254-S256 PolarHBondContact O-N 3Å
257	G	60.4	Low	78.2	Confident	80 Å²	80	125.2 Å²	125.2	83%	0.825	68%	0.678	S	S	*	*			trans	100.5	31.1	170.7	0	0	0	0	0	116.8
258	F	50.4	Low	77.1	Confident	187 Å²	187	131.1 Å²	131.1	82%	0.82	71%	0.706	S	S	*	*			trans	-85.8	108.9	155.7	-81.5	-88.9	0	0	0	108.1	V255	V255-F258 HydrophobicContact CG1-CD2 3.82Å; V255-F258 HydrophobicContact CG1-CE2 3.69Å
259	E	42.5	Very low	75.7	Confident	269 Å²	269	135.7 Å²	135.7	100%	1.257	73%	0.731	S	S	*	*			trans	-72.6	0	153.8	-77.8	-175.4	160.3	0	0	110.1

Retrieved 259 of 259 residues in 152.1 ms (Link to these results)

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