A0A077Z7U6_TRITR Loading...

Pathogeneis protein 1B

AlphaFold DB , UniProt , Accession A0A077Z7U6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 375 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.1	Very low	34.4	Very low	223 Å²	223	160.3 Å²	160.3	100%	1.099	80%	0.799	S	S	*	*				0	106.3	0	-92.4	168.6	68.2	0	0	108.3
2	Q	32.7	Very low	34.7	Very low	185 Å²	185	162.8 Å²	162.8	86%	0.864	81%	0.807	S	S	*	*			trans	-142.6	103.7	165.3	-112.8	168.4	-24.5	0	0	106.2
3	F	31.1	Very low	34.8	Very low	172 Å²	172	164.4 Å²	164.4	75%	0.754	81%	0.807	S	S	*	*			trans	-90.6	128.3	172.3	-81.1	-91.7	0	0	0	107.8
4	Y	39.9	Very low	35.3	Very low	218 Å²	218	164.1 Å²	164.1	86%	0.855	81%	0.809	S	S	*	*			trans	-139.3	107.7	154.7	-85.6	-78.2	0	0	0	109.4
5	C	27.5	Very low	35.5	Very low	107 Å²	107	162.8 Å²	162.8	72%	0.723	81%	0.805	S	S	*	*			trans	-67.3	134.5	157.6	-70.4	0	0	0	0	109.4
6	I	38.4	Very low	35.6	Very low	168 Å²	168	160.7 Å²	160.7	86%	0.862	80%	0.797	S	S	*	*			trans	-141.3	134.5	139.1	-61.8	-171.5	0	0	0	108.8
7	L	31.2	Very low	35.9	Very low	135 Å²	135	158 Å²	158	71%	0.707	79%	0.792	S	S	*	*			trans	-72.8	151.1	-170.9	-86.6	76.8	0	0	0	115
8	H	28	Very low	36.2	Very low	144 Å²	144	160.4 Å²	160.4	67%	0.667	79%	0.792	S	S	*	*			trans	39.1	114.5	136	-67	-81.1	0	0	0	121
9	I	36.9	Very low	36.4	Very low	177 Å²	177	157.5 Å²	157.5	91%	0.908	80%	0.796	S	S	*	*				-133.7	125.8	128.4	-57.1	-178.4	0	0	0	107.8
10	L	33.4	Very low	36.8	Very low	133 Å²	133	155.9 Å²	155.9	70%	0.696	79%	0.794	S	S	*	*			trans	-126	168.2	-177.6	-117.4	168.6	0	0	0	106
11	P	46.6	Very low	36.8	Very low	101 Å²	101	151.7 Å²	151.7	66%	0.656	79%	0.789	S	S	*	*				-121.5	158.6	-92.6	40	-27.1	0	0	0	113.4
12	E	37.6	Very low	37.4	Very low	191 Å²	191	146.9 Å²	146.9	89%	0.893	78%	0.777	S	S	*	*			trans	-128.8	106	160.9	-83.1	-173.1	163.3	0	0	111.5
13	F	35.8	Very low	37.9	Very low	183 Å²	183	149 Å²	149	80%	0.803	78%	0.778	S	S	*	*			trans	33.3	109	133.2	-82.2	-94.9	0	0	0	119.7
14	L	41.6	Very low	38.6	Very low	161 Å²	161	145.4 Å²	145.4	84%	0.843	78%	0.78	S	S	*	*			trans	-156.4	82.4	139.8	-117.4	135.4	0	0	0	110.8	L16	L14-L16 HydrophobicContact CD2-CD1 3.83Å; L14-L16 HydrophobicContact CD2-CG 4.39Å
15	L	38.4	Very low	38.8	Very low	144 Å²	144	141.8 Å²	141.8	75%	0.754	77%	0.774	S	S	*	*			trans	-91.7	98.7	165.7	-93.6	153.9	0	0	0	108.4	T17	L15-T17 HydrophobicContact CD2-CG2 3.81Å
16	L	38	Very low	39.7	Very low	129 Å²	129	141.8 Å²	141.8	68%	0.675	78%	0.775	S	S	*	*			trans	-103.5	78.5	161.9	-87.8	160.4	0	0	0	108	L14 Y18	L14-L16 HydrophobicContact CD2-CD1 3.83Å; L14-L16 HydrophobicContact CD2-CG 4.39Å; L16-Y18 PolarHBondContact O-N 3.48Å
17	T	40.6	Very low	40.2	Very low	115 Å²	115	139.2 Å²	139.2	71%	0.706	76%	0.762	S	S	*	*			trans	-85.5	106.3	168.4	49.6	0	0	0	0	108.6	L15 A19	L15-T17 HydrophobicContact CD2-CG2 3.81Å; T17-A19 PolarHBondContact O-N 3.11Å; T17-A19 VanDerWaalsContact O-N 3.15Å
18	Y	40.7	Very low	41.3	Very low	202 Å²	202	141.5 Å²	141.5	79%	0.792	77%	0.769	S	S	*	*			trans	-59.1	112.6	170.7	-72.7	-94	0	0	0	109.8	L16 V20	L16-Y18 PolarHBondContact O-N 3.48Å; Y18-V20 VanDerWaalsContact C-N 3.35Å; Y18-V20 PolarHBondContact O-N 3.33Å
19	A	39.3	Very low	43.2	Very low	104 Å²	104	140.1 Å²	140.1	86%	0.86	76%	0.759	S	S	*	*			trans	-71.4	89.6	168.7	0	0	0	0	0	109.2	T17 G21	T17-A19 PolarHBondContact O-N 3.11Å; T17-A19 VanDerWaalsContact O-N 3.15Å; A19-G21 PolarHBondContact O-N 3.05Å
20	V	44.6	Very low	45.5	Very low	126 Å²	126	136.8 Å²	136.8	76%	0.764	74%	0.743	S	S	*	*			trans	-78.2	107.2	163.7	177.5	0	0	0	0	106.5	Y18 S22	Y18-V20 VanDerWaalsContact C-N 3.35Å; Y18-V20 PolarHBondContact O-N 3.33Å; V20-S22 PolarHBondContact O-N 3.35Å; V20-S22 VanDerWaalsContact O-N 3.16Å
21	G	37.6	Very low	48.3	Very low	68 Å²	68	132.6 Å²	132.6	70%	0.701	72%	0.722	S	S	*	*			trans	-56.1	116.8	175	0	0	0	0	0	110.7	A19 R23	A19-G21 PolarHBondContact O-N 3.05Å; G21-R23 PolarHBondContact O-N 3.27Å
22	S	44.9	Very low	50.5	Low	121 Å²	121	130.3 Å²	130.3	85%	0.846	71%	0.706	S	S	*	*			trans	-73.7	82.3	164.5	-61.4	0	0	0	0	108	V20 A24	V20-S22 PolarHBondContact O-N 3.35Å; V20-S22 VanDerWaalsContact O-N 3.16Å; S22-A24 VanDerWaalsContact C-N 3.28Å; S22-A24 PolarHBondContact O-N 3.42Å
23	R	44.5	Very low	53.3	Low	230 Å²	230	124.2 Å²	124.2	87%	0.868	68%	0.683	S	S	*	*			trans	-67.1	101.7	153.3	-77.9	-173.6	179.1	-169.1	0.1	105	G21 I25	G21-R23 PolarHBondContact O-N 3.27Å; R23-I25 PolarHBondContact O-N 3Å
24	A	44.4	Very low	56	Low	97 Å²	97	117.7 Å²	117.7	80%	0.802	66%	0.657	S	S	*	*			trans	-57.7	96.2	163	0	0	0	0	0	106.4	S22 S26	S22-A24 VanDerWaalsContact C-N 3.28Å; S22-A24 PolarHBondContact O-N 3.42Å; A24-S26 VanDerWaalsContact C-N 3.3Å; A24-S26 PolarHBondContact O-N 3.11Å
25	I	44.3	Very low	58.6	Low	142 Å²	142	114 Å²	114	73%	0.728	64%	0.643	S	S	*	*			trans	-66.7	102.5	166.9	-61.3	169.2	0	0	0	103.5	R23 I27	R23-I25 PolarHBondContact O-N 3Å; I25-I27 HydrophobicContact CG2-CG1 4.05Å; I25-I27 PolarHBondContact O-N 3.06Å
26	S	46.5	Very low	61.3	Low	107 Å²	107	107.6 Å²	107.6	75%	0.748	61%	0.609	S	S	*	*			trans	-60.3	94.5	161.2	52	0	0	0	0	105.9	A24 Q28	A24-S26 VanDerWaalsContact C-N 3.3Å; A24-S26 PolarHBondContact O-N 3.11Å; S26-Q28 PolarHBondContact O-N 3.38Å
27	I	49.4	Very low	63.8	Low	114 Å²	114	103.7 Å²	103.7	59%	0.585	59%	0.588	S	S	*	*			trans	-67.9	90.9	167.9	-60.6	172.8	0	0	0	104	I25 Y29	I25-I27 HydrophobicContact CG2-CG1 4.05Å; I25-I27 PolarHBondContact O-N 3.06Å; I27-Y29 VanDerWaalsContact C-N 3.29Å; I27-Y29 HydrophobicContact CG2-CD1 4.16Å; I27-Y29 HydrophobicContact CG2-CE1 4.08Å; I27-Y29 PolarHBondContact O-N 3.47Å
28	Q	55.2	Low	66	Low	182 Å²	182	103.7 Å²	103.7	85%	0.85	59%	0.588	S	S	*	*			trans	-70.2	100.2	164.8	-174.2	168.7	-26.4	0	0	104.4	S26	S26-Q28 PolarHBondContact O-N 3.38Å
29	Y	67.7	Low	68.2	Low	116 Å²	116	95.4 Å²	95.4	46%	0.455	56%	0.558	S	S	.	*			trans	-53.2	142.6	171.7	-64.9	-76.9	0	0	0	108.5	I27 V31 F162	I27-Y29 VanDerWaalsContact C-N 3.29Å; I27-Y29 HydrophobicContact CG2-CD1 4.16Å; I27-Y29 HydrophobicContact CG2-CE1 4.08Å; I27-Y29 PolarHBondContact O-N 3.47Å; Y29-V31 PolarHBondContact O-N 3.03Å; Y29-F162 HydrophobicContact CD1-CB 4.09Å; Y29-F162 HydrophobicContact CE1-CB 4.19Å; Y29-F162 HydrophobicContact CE2-CD1 4.34Å; Y29-F162 HydrophobicContact CG-CB 4.31Å
30	D	84	Confident	70.7	Confident	107 Å²	107	90.5 Å²	90.5	57%	0.572	52%	0.517	S	S	*	.			trans	-65.4	120.1	177	-165.9	3.9	0	0	0	108.6	E161	D30-E161 HydrophobicContact CB-CG 4.18Å
31	V	92.1	Very high	72.9	Confident	44 Å²	44	87 Å²	87	27%	0.267	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	123	177.9	-179.9	0	0	0	0	106.5	Y29 P33 E79 C81 A158 R159	Y29-V31 PolarHBondContact O-N 3.03Å; V31-P33 WeakPolarHBondContact O-CD 3.37Å; V31-E79 HydrophobicContact CG1-CB 4.31Å; V31-E79 HydrophobicContact CG1-CG 4.36Å; V31-C81 VanDerWaalsContact CG2-SG 3.5Å; V31-A158 HydrophobicContact CG1-CB 4.01Å; V31-R159 WeakPolarHBondContact CA-O 3.26Å
32	T	93.7	Very high	75.3	Confident	53 Å²	53	85.7 Å²	85.7	33%	0.325	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	109.9	173.7	-40.6	0	0	0	0	109.2	L34 A158 R159	T32-L34 HydrophobicContact CG2-CD2 4.38Å; T32-L34 PolarHBondContact O-N 2.99Å; T32-A158 WeakPolarHBondContact O-CA 3.35Å; T32-R159 PolarHBondContact N-O 3.11Å; T32-R159 PolarHBondContact O-N 2.89Å
33	P	95.5	Very high	77.4	Confident	63 Å²	63	81 Å²	81	41%	0.409	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	131.8	169.4	-24.6	35.5	0	0	0	111	V31 E79	V31-P33 WeakPolarHBondContact O-CD 3.37Å; P33-E79 HydrophobicContact CB-CG 4.32Å; P33-E79 WeakPolarHBondContact CB-OE1 3.44Å; P33-E79 HydrophobicContact CG-CG 4.12Å
34	L	93.5	Very high	79.8	Confident	46 Å²	46	70 Å²	70	24%	0.241	40%	0.402	C	S	.	.			trans	-131.4	67.3	178	-66.1	174.9	0	0	0	110.1	T32 M157 R159 Y171	T32-L34 HydrophobicContact CG2-CD2 4.38Å; T32-L34 PolarHBondContact O-N 2.99Å; L34-M157 CarbonylContact C-O 3.18Å; L34-M157 WeakPolarHBondContact CA-O 3.35Å; L34-M157 HydrophobicContact CB-CB 4.45Å; L34-M157 HydrophobicContact CB-CE 3.74Å; L34-M157 HydrophobicContact CB-CG 4.27Å; L34-M157 HydrophobicContact CD1-CE 4.1Å; L34-M157 PolarHBondContact N-O 3.38Å; L34-M157 WeakPolarHBondContact O-CB 3.07Å; L34-R159 HydrophobicContact CD1-CB 3.95Å; L34-Y171 HydrophobicContact CD1-CD1 3.96Å; L34-Y171 HydrophobicContact CD1-CE1 3.61Å
35	P	95.1	Very high	82.1	Confident	85 Å²	85	66.7 Å²	66.7	55%	0.552	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-61.7	140.2	177.9	27.6	-35.1	0	0	0	111.2	N37	P35-N37 PolarHBondContact O-N 2.89Å
36	F	95.1	Very high	84.2	Confident	8 Å²	8	62 Å²	62	4%	0.035	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-69.4	130.2	-179.5	-68	-70.1	0	0	0	111.9	Q40 Q41 F44 W66 L112 C155 M157 V173 M303	F36-Q40 HydrophobicContact CB-CB 3.9Å; F36-Q40 HydrophobicContact CD1-CB 3.83Å; F36-Q40 HydrophobicContact CD1-CG 4.25Å; F36-Q40 HydrophobicContact CG-CB 4.25Å; F36-Q41 HydrophobicContact CB-CG 4.4Å; F36-Q41 PolarHBondContact O-NE2 3.42Å; F36-F44 HydrophobicContact CB-CE2 4.49Å; F36-F44 AromaticContact CD1-CE2 3.73Å; F36-F44 HydrophobicContact CD1-CE2 3.73Å; F36-F44 HydrophobicContact CD1-CZ 4.48Å; F36-F44 HydrophobicContact CD2-CD2 4.41Å; F36-F44 AromaticContact CD2-CE2 3.55Å; F36-F44 HydrophobicContact CD2-CE2 3.55Å; F36-F44 HydrophobicContact CD2-CZ 4.19Å; F36-F44 AromaticContact CE1-CE2 3.7Å; F36-F44 HydrophobicContact CE1-CE2 3.7Å; F36-F44 HydrophobicContact CE1-CZ 4Å; F36-F44 AromaticContact CE2-CE2 3.51Å; F36-F44 HydrophobicContact CE2-CE2 3.51Å; F36-F44 AromaticContact CE2-CZ 3.67Å; F36-F44 HydrophobicContact CE2-CZ 3.67Å; F36-F44 HydrophobicContact CG-CD2 4.41Å; F36-F44 AromaticContact CG-CE2 3.65Å; F36-F44 HydrophobicContact CG-CE2 3.65Å; F36-F44 AromaticContact CZ-CE2 3.59Å; F36-F44 HydrophobicContact CZ-CE2 3.59Å; F36-F44 AromaticContact CZ-CZ 3.57Å; F36-F44 HydrophobicContact CZ-CZ 3.57Å; F36-W66 HydrophobicContact CD2-CH2 4.47Å; F36-L112 HydrophobicContact CE1-CD1 4.27Å; F36-L112 HydrophobicContact CZ-CD1 3.92Å; F36-C155 HydrophobicContact CD2-CB 3.94Å; F36-C155 HydrophobicContact CE2-CB 3.83Å; F36-M157 HydrophobicContact CE1-CB 4.39Å; F36-M157 HydrophobicContact CE1-CE 3.94Å; F36-M157 HydrophobicContact CE1-SD 4.28Å; F36-M157 HydrophobicContact CE2-CB 3.83Å; F36-M157 HydrophobicContact CZ-CB 3.67Å; F36-M157 HydrophobicContact CZ-CE 4.28Å; F36-M157 HydrophobicContact CZ-CG 4.48Å; F36-M157 HydrophobicContact CZ-SD 4.13Å; F36-V173 HydrophobicContact CE2-CG1 4.2Å; F36-V173 HydrophobicContact CZ-CG1 4.07Å; F36-M303 HydrophobicContact CD1-CE 3.72Å; F36-M303 HydrophobicContact CD1-SD 3.8Å; F36-M303 HydrophobicContact CE1-CE 3.89Å; F36-M303 HydrophobicContact CE1-SD 4.35Å
37	N	91.1	Very high	86.3	Confident	47 Å²	47	57 Å²	57	25%	0.251	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-68.6	165.8	174.1	68.8	27.1	0	0	0	111.9	P35 L39 Q40 Q41 D301 M303	P35-N37 PolarHBondContact O-N 2.89Å; N37-L39 PolarHBondContact O-N 3.05Å; N37-L39 VanDerWaalsContact O-N 3.09Å; N37-L39 WeakPolarHBondContact OD1-CB 3.42Å; N37-L39 PolarHBondContact OD1-N 3.43Å; N37-Q40 PolarHBondContact O-N 3.35Å; N37-Q40 WeakPolarHBondContact OD1-CG 3.36Å; N37-Q40 PolarHBondContact OD1-N 2.88Å; N37-Q41 VanDerWaalsContact O-CG 3.27Å; N37-Q41 WeakPolarHBondContact O-CG 3.44Å; N37-Q41 PolarHBondContact O-N 3.35Å; N37-D301 PolarHBondContact ND2-OD1 3.41Å; N37-M303 WeakPolarHBondContact ND2-CB 3.49Å
38	T	86.9	Confident	88.4	Confident	115 Å²	115	51.5 Å²	51.5	71%	0.706	28%	0.281	S	S	*	.	H	α-helix	trans	-53.8	-33.8	-177.3	-49.1	0	0	0	0	113.7	Q41 G42	T38-Q41 PolarHBondContact O-N 3.08Å; T38-G42 PolarHBondContact O-N 3.03Å; T38-G42 VanDerWaalsContact O-N 3.14Å
39	L	86.7	Confident	90.2	Very high	29 Å²	29	43 Å²	43	15%	0.152	24%	0.241	C	C	.	.	H	α-helix	trans	-66.6	-47	177.2	179	56.3	0	0	0	111	N37 G42 R43 D301 A324	N37-L39 PolarHBondContact O-N 3.05Å; N37-L39 VanDerWaalsContact O-N 3.09Å; N37-L39 WeakPolarHBondContact OD1-CB 3.42Å; N37-L39 PolarHBondContact OD1-N 3.43Å; L39-G42 PolarHBondContact O-N 2.91Å; L39-R43 WeakPolarHBondContact O-CG 3.48Å; L39-R43 PolarHBondContact O-N 3Å; L39-D301 HydrophobicContact CD2-CB 3.71Å; L39-A324 HydrophobicContact CD1-CB 4.14Å
40	Q	91.1	Very high	91.2	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-65.6	-36.8	175.9	-70.4	-65.9	-35	0	0	112.5	F36 N37 G42 R43 F44 D301 M303	F36-Q40 HydrophobicContact CB-CB 3.9Å; F36-Q40 HydrophobicContact CD1-CB 3.83Å; F36-Q40 HydrophobicContact CD1-CG 4.25Å; F36-Q40 HydrophobicContact CG-CB 4.25Å; N37-Q40 PolarHBondContact O-N 3.35Å; N37-Q40 WeakPolarHBondContact OD1-CG 3.36Å; N37-Q40 PolarHBondContact OD1-N 2.88Å; Q40-G42 PolarHBondContact O-N 3.46Å; Q40-R43 CarbonylContact O-C 3.57Å; Q40-R43 WeakPolarHBondContact O-CB 3.37Å; Q40-R43 PolarHBondContact O-N 3.46Å; Q40-R43 VanDerWaalsContact O-N 3.14Å; Q40-F44 VanDerWaalsContact O-CD2 3.26Å; Q40-F44 WeakPolarHBondContact O-CD2 3.36Å; Q40-F44 PolarHBondContact O-N 3.49Å; Q40-D301 WeakPolarHBondContact CG-OD2 3.44Å; Q40-D301 PolarHBondContact NE2-OD2 3.49Å; Q40-M303 HydrophobicContact CG-CE 3.71Å; Q40-M303 HydrophobicContact CG-SD 4.35Å
41	Q	92.7	Very high	91.6	Very high	52 Å²	52	34.2 Å²	34.2	24%	0.243	20%	0.201	C	C	.	.	H	α-helix	trans	-58.1	-48.8	174.7	-63.8	173.2	12.3	0	0	111.7	F36 N37 T38 R43 F44 V45 W66	F36-Q41 HydrophobicContact CB-CG 4.4Å; F36-Q41 PolarHBondContact O-NE2 3.42Å; N37-Q41 VanDerWaalsContact O-CG 3.27Å; N37-Q41 WeakPolarHBondContact O-CG 3.44Å; N37-Q41 PolarHBondContact O-N 3.35Å; T38-Q41 PolarHBondContact O-N 3.08Å; Q41-R43 VanDerWaalsContact C-N 3.3Å; Q41-R43 PolarHBondContact O-N 3.48Å; Q41-F44 PolarHBondContact O-N 2.83Å; Q41-V45 PolarHBondContact O-N 2.84Å; Q41-W66 HydrophobicContact CB-CD2 3.65Å; Q41-W66 HydrophobicContact CB-CE3 3.84Å; Q41-W66 HydrophobicContact CB-CG 3.97Å; Q41-W66 HydrophobicContact CB-CH2 4.4Å; Q41-W66 HydrophobicContact CB-CZ2 4.31Å; Q41-W66 HydrophobicContact CB-CZ3 4.23Å; Q41-W66 HydrophobicContact CG-CD2 3.76Å; Q41-W66 VanDerWaalsContact CG-CE2 3.44Å; Q41-W66 HydrophobicContact CG-CE3 4.18Å; Q41-W66 HydrophobicContact CG-CG 4.25Å; Q41-W66 HydrophobicContact CG-CH2 3.95Å; Q41-W66 HydrophobicContact CG-CZ2 3.57Å; Q41-W66 HydrophobicContact CG-CZ3 4.27Å
42	G	87.6	Confident	91.7	Very high	42 Å²	42	32.2 Å²	32.2	43%	0.433	19%	0.188	S	C	.	.	H	α-helix	trans	-61.4	-38.3	174.5	0	0	0	0	0	112.6	T38 L39 Q40 V45 W46	T38-G42 PolarHBondContact O-N 3.03Å; T38-G42 VanDerWaalsContact O-N 3.14Å; L39-G42 PolarHBondContact O-N 2.91Å; Q40-G42 PolarHBondContact O-N 3.46Å; G42-V45 PolarHBondContact O-N 2.83Å; G42-W46 WeakPolarHBondContact O-CB 3.32Å; G42-W46 PolarHBondContact O-N 3.45Å
43	R	89.3	Confident	91.6	Very high	22 Å²	22	30.9 Å²	30.9	8%	0.083	18%	0.182	C	C	.	.	H	α-helix	trans	-66.8	-35	176.4	-73.6	174.1	172.4	163.9	-0.2	113.3	L39 Q40 Q41 A47 A109 D301 I369 S370	L39-R43 WeakPolarHBondContact O-CG 3.48Å; L39-R43 PolarHBondContact O-N 3Å; Q40-R43 CarbonylContact O-C 3.57Å; Q40-R43 WeakPolarHBondContact O-CB 3.37Å; Q40-R43 PolarHBondContact O-N 3.46Å; Q40-R43 VanDerWaalsContact O-N 3.14Å; Q41-R43 VanDerWaalsContact C-N 3.3Å; Q41-R43 PolarHBondContact O-N 3.48Å; R43-A47 WeakPolarHBondContact O-CB 3.37Å; R43-A47 PolarHBondContact O-N 2.94Å; R43-A109 HydrophobicContact CB-CB 3.78Å; R43-D301 IonicContact NH1-OD2 3.84Å; R43-D301 PolarHBondContact NH1-OD2 2.75Å; R43-I369 PolarHBondContact NE-O 2.83Å; R43-I369 PolarHBondContact NH2-O 2.91Å; R43-S370 VanDerWaalsContact NH2-CA 3.29Å; R43-S370 PolarHBondContact NH2-O 3.46Å
44	F	94	Very high	91.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.9	-52.9	172.7	-88.5	-69.8	0	0	0	111.4	F36 Q40 Q41 W46 A47 F48 W66 A109 L112 V113 C155	F36-F44 HydrophobicContact CB-CE2 4.49Å; F36-F44 AromaticContact CD1-CE2 3.73Å; F36-F44 HydrophobicContact CD1-CE2 3.73Å; F36-F44 HydrophobicContact CD1-CZ 4.48Å; F36-F44 HydrophobicContact CD2-CD2 4.41Å; F36-F44 AromaticContact CD2-CE2 3.55Å; F36-F44 HydrophobicContact CD2-CE2 3.55Å; F36-F44 HydrophobicContact CD2-CZ 4.19Å; F36-F44 AromaticContact CE1-CE2 3.7Å; F36-F44 HydrophobicContact CE1-CE2 3.7Å; F36-F44 HydrophobicContact CE1-CZ 4Å; F36-F44 AromaticContact CE2-CE2 3.51Å; F36-F44 HydrophobicContact CE2-CE2 3.51Å; F36-F44 AromaticContact CE2-CZ 3.67Å; F36-F44 HydrophobicContact CE2-CZ 3.67Å; F36-F44 HydrophobicContact CG-CD2 4.41Å; F36-F44 AromaticContact CG-CE2 3.65Å; F36-F44 HydrophobicContact CG-CE2 3.65Å; F36-F44 AromaticContact CZ-CE2 3.59Å; F36-F44 HydrophobicContact CZ-CE2 3.59Å; F36-F44 AromaticContact CZ-CZ 3.57Å; F36-F44 HydrophobicContact CZ-CZ 3.57Å; Q40-F44 VanDerWaalsContact O-CD2 3.26Å; Q40-F44 WeakPolarHBondContact O-CD2 3.36Å; Q40-F44 PolarHBondContact O-N 3.49Å; Q41-F44 PolarHBondContact O-N 2.83Å; F44-W46 VanDerWaalsContact C-N 3.25Å; F44-W46 PolarHBondContact O-N 2.93Å; F44-A47 PolarHBondContact O-N 2.87Å; F44-F48 HydrophobicContact CD1-CD2 4.4Å; F44-F48 HydrophobicContact CD1-CE2 4.11Å; F44-F48 WeakPolarHBondContact O-CB 3.42Å; F44-F48 WeakPolarHBondContact O-CD2 3.48Å; F44-F48 PolarHBondContact O-N 2.97Å; F44-W66 HydrophobicContact CB-CE3 4.31Å; F44-W66 HydrophobicContact CB-CZ3 3.78Å; F44-W66 HydrophobicContact CD2-CH2 4.13Å; F44-W66 AromaticContact CD2-CZ3 3.77Å; F44-W66 HydrophobicContact CD2-CZ3 3.77Å; F44-W66 AromaticContact CG-CZ3 3.99Å; F44-W66 HydrophobicContact CG-CZ3 3.99Å; F44-A109 HydrophobicContact CB-CB 4.4Å; F44-A109 HydrophobicContact CD1-CB 3.89Å; F44-A109 HydrophobicContact CD2-CB 3.53Å; F44-A109 HydrophobicContact CE1-CB 3.97Å; F44-A109 HydrophobicContact CE2-CB 3.6Å; F44-A109 HydrophobicContact CG-CB 3.67Å; F44-A109 HydrophobicContact CZ-CB 3.84Å; F44-L112 HydrophobicContact CE1-CB 4.24Å; F44-L112 HydrophobicContact CE1-CD1 4.27Å; F44-L112 HydrophobicContact CZ-CD1 3.72Å; F44-V113 HydrophobicContact CD1-CG2 3.74Å; F44-V113 HydrophobicContact CE1-CG2 4.09Å; F44-C155 VanDerWaalsContact CD1-SG 3.6Å; F44-C155 HydrophobicContact CD2-CB 4.33Å; F44-C155 HydrophobicContact CE1-CB 4.29Å; F44-C155 HydrophobicContact CE2-CB 4.04Å; F44-C155 HydrophobicContact CZ-CB 4.01Å
45	V	92.8	Very high	91.3	Very high	26 Å²	26	32 Å²	32	16%	0.158	18%	0.176	C	C	.	.	H	α-helix	trans	-55.9	-46.3	178.8	173.8	0	0	0	0	110.4	Q41 G42 N49 I63 W66 I153	Q41-V45 PolarHBondContact O-N 2.84Å; G42-V45 PolarHBondContact O-N 2.83Å; V45-N49 PolarHBondContact O-N 3.48Å; V45-N49 PolarHBondContact O-ND2 3.43Å; V45-I63 HydrophobicContact CB-CG2 4.4Å; V45-I63 HydrophobicContact CG1-CB 4.32Å; V45-I63 HydrophobicContact CG1-CG2 4Å; V45-I63 HydrophobicContact CG2-CG2 4.15Å; V45-W66 HydrophobicContact CG2-CB 4.2Å; V45-I153 HydrophobicContact CG2-CG2 4.05Å
46	W	88.1	Confident	91.2	Very high	45 Å²	45	32.2 Å²	32.2	17%	0.17	17%	0.172	C	C	.	.	H	α-helix	trans	-63.1	-52.7	178.5	-177.5	91.4	0	0	0	111.8	G42 F44 F48 N49 Q50 W214 Y366 G368	G42-W46 WeakPolarHBondContact O-CB 3.32Å; G42-W46 PolarHBondContact O-N 3.45Å; F44-W46 VanDerWaalsContact C-N 3.25Å; F44-W46 PolarHBondContact O-N 2.93Å; W46-F48 PolarHBondContact O-N 3.18Å; W46-N49 PolarHBondContact O-N 2.96Å; W46-N49 VanDerWaalsContact O-N 3.17Å; W46-Q50 HydrophobicContact CD2-CG 3.65Å; W46-Q50 VanDerWaalsContact CE2-CG 3.44Å; W46-Q50 HydrophobicContact CE3-CG 3.82Å; W46-Q50 HydrophobicContact CG-CG 4.39Å; W46-Q50 HydrophobicContact CH2-CB 4.4Å; W46-Q50 HydrophobicContact CH2-CG 3.56Å; W46-Q50 HydrophobicContact CZ2-CG 3.4Å; W46-Q50 HydrophobicContact CZ3-CB 4.42Å; W46-Q50 HydrophobicContact CZ3-CG 3.77Å; W46-Q50 VanDerWaalsContact O-CG 3.26Å; W46-Q50 WeakPolarHBondContact O-CG 3.44Å; W46-Q50 PolarHBondContact O-N 3.44Å; W46-W214 AromaticContact CD1-CH2 3.57Å; W46-W214 AromaticContact CD1-CZ3 3.77Å; W46-W214 HydrophobicContact CG-CH2 4.49Å; W46-Y366 AromaticContact CH2-CD1 3.55Å; W46-Y366 HydrophobicContact CH2-CD1 3.55Å; W46-Y366 AromaticContact CH2-CE1 3.12Å; W46-Y366 HydrophobicContact CH2-CE1 3.12Å; W46-Y366 HydrophobicContact CH2-CE2 4.27Å; W46-Y366 HydrophobicContact CH2-CG 4.31Å; W46-Y366 AromaticContact CH2-CZ 3.46Å; W46-Y366 VanDerWaalsContact CH2-CZ 3.46Å; W46-Y366 HydrophobicContact CZ2-CD1 4.08Å; W46-Y366 AromaticContact CZ2-CE1 3.21Å; W46-Y366 HydrophobicContact CZ2-CE1 3.21Å; W46-Y366 AromaticContact CZ2-CZ 3.5Å; W46-Y366 VanDerWaalsContact CZ2-OH 3.3Å; W46-Y366 WeakPolarHBondContact CZ2-OH 3.16Å; W46-Y366 HydrophobicContact CZ3-CE1 4.45Å; W46-G368 VanDerWaalsContact CZ3-CA 3.45Å
47	A	90.8	Very high	91.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-63.1	-40.8	-176.6	0	0	0	0	0	111.7	R43 F44 N49 Q50 F51 V113	R43-A47 WeakPolarHBondContact O-CB 3.37Å; R43-A47 PolarHBondContact O-N 2.94Å; F44-A47 PolarHBondContact O-N 2.87Å; A47-N49 VanDerWaalsContact C-N 3.33Å; A47-N49 PolarHBondContact O-N 3.5Å; A47-Q50 PolarHBondContact O-N 3.03Å; A47-F51 WeakPolarHBondContact O-CD2 3.42Å; A47-F51 PolarHBondContact O-N 3.48Å; A47-V113 HydrophobicContact CB-CB 3.85Å; A47-V113 HydrophobicContact CB-CG1 4.05Å; A47-V113 HydrophobicContact CB-CG2 3.95Å
48	F	94.3	Very high	91.5	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-57.2	-48	174.7	-96.6	-99.7	0	0	0	110.9	F44 W46 Q50 R52 I63 V96 V113 F116 F145 I153 M177	F44-F48 HydrophobicContact CD1-CD2 4.4Å; F44-F48 HydrophobicContact CD1-CE2 4.11Å; F44-F48 WeakPolarHBondContact O-CB 3.42Å; F44-F48 WeakPolarHBondContact O-CD2 3.48Å; F44-F48 PolarHBondContact O-N 2.97Å; W46-F48 PolarHBondContact O-N 3.18Å; F48-Q50 PolarHBondContact O-N 3.22Å; F48-R52 WeakPolarHBondContact O-CB 3.42Å; F48-R52 WeakPolarHBondContact O-CD 3.36Å; F48-R52 WeakPolarHBondContact O-CG 3.29Å; F48-R52 PolarHBondContact O-N 3.25Å; F48-I63 HydrophobicContact CB-CG1 3.89Å; F48-V96 HydrophobicContact CZ-CG2 4.22Å; F48-V113 HydrophobicContact CD2-CB 4.36Å; F48-V113 HydrophobicContact CD2-CG1 3.93Å; F48-V113 HydrophobicContact CD2-CG2 3.39Å; F48-V113 HydrophobicContact CE2-CB 4.46Å; F48-V113 HydrophobicContact CE2-CG1 4.26Å; F48-V113 HydrophobicContact CE2-CG2 3.39Å; F48-V113 HydrophobicContact CG-CG1 4.24Å; F48-V113 HydrophobicContact CG-CG2 4.44Å; F48-V113 HydrophobicContact CZ-CG2 4.44Å; F48-F116 HydrophobicContact CZ-CD2 4.31Å; F48-F145 AromaticContact CD1-CD2 3.68Å; F48-F145 HydrophobicContact CD1-CD2 3.68Å; F48-F145 AromaticContact CD1-CE2 3.74Å; F48-F145 HydrophobicContact CD1-CE2 3.74Å; F48-F145 AromaticContact CE1-CD2 3.42Å; F48-F145 HydrophobicContact CE1-CD2 3.42Å; F48-F145 VanDerWaalsContact CE1-CD2 3.42Å; F48-F145 AromaticContact CE1-CE2 3.97Å; F48-F145 HydrophobicContact CE1-CE2 3.97Å; F48-F145 HydrophobicContact CE1-CG 4.43Å; F48-F145 HydrophobicContact CG-CE2 4.25Å; F48-F145 HydrophobicContact CZ-CD2 4.04Å; F48-I153 HydrophobicContact CD1-CD1 4.02Å; F48-I153 HydrophobicContact CD2-CD1 3.46Å; F48-I153 VanDerWaalsContact CD2-CD1 3.46Å; F48-I153 HydrophobicContact CE1-CD1 3.69Å; F48-I153 HydrophobicContact CE2-CD1 3.08Å; F48-I153 HydrophobicContact CG-CD1 3.93Å; F48-I153 HydrophobicContact CZ-CD1 3.23Å; F48-M177 HydrophobicContact CE1-CE 4.39Å; F48-M177 HydrophobicContact CE1-SD 4.19Å
49	N	93.1	Very high	92	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.011	13%	0.131	C	C	.	.	H	α-helix	trans	-62	-42.7	176.8	-75.5	-27.7	0	0	0	112.1	V45 W46 A47 R52 S53 C62 I63 L208 W214	V45-N49 PolarHBondContact O-N 3.48Å; V45-N49 PolarHBondContact O-ND2 3.43Å; W46-N49 PolarHBondContact O-N 2.96Å; W46-N49 VanDerWaalsContact O-N 3.17Å; A47-N49 VanDerWaalsContact C-N 3.33Å; A47-N49 PolarHBondContact O-N 3.5Å; N49-R52 PolarHBondContact O-N 3.21Å; N49-S53 WeakPolarHBondContact O-CB 3.33Å; N49-S53 PolarHBondContact O-N 2.82Å; N49-S53 PolarHBondContact O-OG 2.79Å; N49-C62 WeakPolarHBondContact OD1-CA 3.33Å; N49-C62 WeakPolarHBondContact OD1-CB 3.2Å; N49-I63 PolarHBondContact ND2-O 3.04Å; N49-I63 PolarHBondContact OD1-N 3.25Å; N49-L208 HydrophobicContact CB-CD1 3.69Å; N49-L208 WeakPolarHBondContact O-CD1 3.33Å; N49-W214 HydrophobicContact CB-CZ2 4.12Å
50	Q	88.5	Confident	92.6	Very high	36 Å²	36	23.8 Å²	23.8	17%	0.168	12%	0.124	C	C	.	.	H	α-helix	trans	-65	-40.7	-179.7	-67.4	-67.3	-38.3	0	0	113.7	W46 A47 F48 S53 R54	W46-Q50 HydrophobicContact CD2-CG 3.65Å; W46-Q50 VanDerWaalsContact CE2-CG 3.44Å; W46-Q50 HydrophobicContact CE3-CG 3.82Å; W46-Q50 HydrophobicContact CG-CG 4.39Å; W46-Q50 HydrophobicContact CH2-CB 4.4Å; W46-Q50 HydrophobicContact CH2-CG 3.56Å; W46-Q50 HydrophobicContact CZ2-CG 3.4Å; W46-Q50 HydrophobicContact CZ3-CB 4.42Å; W46-Q50 HydrophobicContact CZ3-CG 3.77Å; W46-Q50 VanDerWaalsContact O-CG 3.26Å; W46-Q50 WeakPolarHBondContact O-CG 3.44Å; W46-Q50 PolarHBondContact O-N 3.44Å; A47-Q50 PolarHBondContact O-N 3.03Å; F48-Q50 PolarHBondContact O-N 3.22Å; Q50-S53 PolarHBondContact O-OG 2.78Å; Q50-R54 WeakPolarHBondContact O-CG 3.37Å
51	F	91.5	Very high	92.9	Very high	4 Å²	4	24.8 Å²	24.8	2%	0.018	13%	0.129	C	C	.	.	H	α-helix	trans	-80.4	-33	178.4	-76	-74.7	0	0	0	111.7	A47 R54 V113 E114 Y117 F145	A47-F51 WeakPolarHBondContact O-CD2 3.42Å; A47-F51 PolarHBondContact O-N 3.48Å; F51-R54 PolarHBondContact O-N 3.26Å; F51-V113 HydrophobicContact CB-CG1 4.37Å; F51-V113 HydrophobicContact CD2-CB 4.35Å; F51-V113 HydrophobicContact CD2-CG1 3.74Å; F51-V113 HydrophobicContact CG-CG1 4.42Å; F51-E114 HydrophobicContact CE1-CB 4.15Å; F51-E114 HydrophobicContact CE1-CG 4.04Å; F51-E114 HydrophobicContact CE2-CB 3.89Å; F51-E114 HydrophobicContact CZ-CB 3.52Å; F51-E114 HydrophobicContact CZ-CG 3.8Å; F51-Y117 HydrophobicContact CB-CD2 4.14Å; F51-Y117 HydrophobicContact CB-CG 4.16Å; F51-Y117 AromaticContact CD1-CD1 3.69Å; F51-Y117 HydrophobicContact CD1-CD1 3.69Å; F51-Y117 HydrophobicContact CD1-CD2 4.24Å; F51-Y117 HydrophobicContact CD1-CE1 4.33Å; F51-Y117 AromaticContact CD1-CG 3.65Å; F51-Y117 HydrophobicContact CD1-CG 3.65Å; F51-Y117 HydrophobicContact CE1-CD1 4.14Å; F51-Y117 HydrophobicContact CE1-CG 4.47Å; F51-Y117 HydrophobicContact CG-CG 4.25Å; F51-F145 HydrophobicContact CB-CE2 4.29Å; F51-F145 HydrophobicContact CB-CZ 3.59Å
52	R	94.7	Very high	93	Very high	1 Å²	1	22.5 Å²	22.5	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-66.8	-34.8	175.1	-75.2	167.7	64.7	102.4	-7.6	112.6	F48 N49 R54 L55 M60 Q61 F145 W147 H148 G150 L208	F48-R52 WeakPolarHBondContact O-CB 3.42Å; F48-R52 WeakPolarHBondContact O-CD 3.36Å; F48-R52 WeakPolarHBondContact O-CG 3.29Å; F48-R52 PolarHBondContact O-N 3.25Å; N49-R52 PolarHBondContact O-N 3.21Å; R52-R54 PolarHBondContact O-N 2.98Å; R52-L55 WeakPolarHBondContact O-CB 3.31Å; R52-L55 PolarHBondContact O-N 3.37Å; R52-M60 HydrophobicContact CB-CG 3.89Å; R52-M60 HydrophobicContact CB-SD 4.12Å; R52-M60 HydrophobicContact CG-SD 4.17Å; R52-M60 PolarHBondContact NE-SD 2.7Å; R52-M60 VanDerWaalsContact NE-SD 3.39Å; R52-M60 PolarHBondContact NH2-SD 2.97Å; R52-Q61 PolarHBondContact NE-O 3.17Å; R52-Q61 PolarHBondContact NH2-O 3.48Å; R52-F145 HydrophobicContact CG-CE1 4.17Å; R52-F145 HydrophobicContact CG-CE2 4.08Å; R52-F145 HydrophobicContact CG-CZ 3.71Å; R52-F145 PolarHBondContact NH1-O 3.04Å; R52-W147 PolarHBondContact NH1-O 2.79Å; R52-W147 PolarHBondContact NH2-O 3.11Å; R52-H148 PolarHBondContact NH2-O 3.11Å; R52-G150 PolarHBondContact NH2-O 2.85Å; R52-L208 HydrophobicContact CB-CD2 4.02Å
53	S	92.1	Very high	93.4	Very high	26 Å²	26	20.6 Å²	20.6	18%	0.182	10%	0.098	C	C	.	.	H	α-helix	trans	-63.8	-28.4	176.9	58.4	0	0	0	0	113.1	N49 Q50 L55 N206	N49-S53 WeakPolarHBondContact O-CB 3.33Å; N49-S53 PolarHBondContact O-N 2.82Å; N49-S53 PolarHBondContact O-OG 2.79Å; Q50-S53 PolarHBondContact O-OG 2.78Å; S53-L55 PolarHBondContact O-N 3.24Å; S53-N206 WeakPolarHBondContact CB-O 3.49Å
54	R	90.6	Very high	93.5	Very high	109 Å²	109	23 Å²	23	41%	0.411	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-7.5	178.6	-63.1	174.9	-176.2	-156.3	-3.8	113.9	Q50 F51 R52 N56 Y117	Q50-R54 WeakPolarHBondContact O-CG 3.37Å; F51-R54 PolarHBondContact O-N 3.26Å; R52-R54 PolarHBondContact O-N 2.98Å; R54-N56 VanDerWaalsContact C-N 3.29Å; R54-N56 PolarHBondContact O-N 2.85Å; R54-Y117 HydrophobicContact CB-CE2 4.26Å
55	L	91.9	Very high	93.4	Very high	23 Å²	23	27.5 Å²	27.5	12%	0.12	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.7	-178.5	-65.2	172.3	0	0	0	113.6	R52 S53 S57 M60 Y117 F142 F145 A146 Y188	R52-L55 WeakPolarHBondContact O-CB 3.31Å; R52-L55 PolarHBondContact O-N 3.37Å; S53-L55 PolarHBondContact O-N 3.24Å; L55-S57 PolarHBondContact O-N 2.84Å; L55-S57 VanDerWaalsContact O-N 3.12Å; L55-M60 HydrophobicContact CB-CE 4.3Å; L55-M60 HydrophobicContact CD1-CE 3.62Å; L55-Y117 HydrophobicContact CD2-CD2 4.25Å; L55-Y117 HydrophobicContact CD2-CE2 3.73Å; L55-Y117 HydrophobicContact CG-CE2 4.27Å; L55-F142 HydrophobicContact CD2-CE2 4.12Å; L55-F142 HydrophobicContact CD2-CZ 3.83Å; L55-F145 HydrophobicContact CD1-CE1 4.28Å; L55-A146 HydrophobicContact CD1-CB 3.68Å; L55-Y188 HydrophobicContact CB-CE1 4.26Å; L55-Y188 HydrophobicContact CD1-CD1 4.38Å; L55-Y188 HydrophobicContact CD1-CE1 3.93Å; L55-Y188 HydrophobicContact CD2-CE1 4.44Å; L55-Y188 HydrophobicContact CG-CE1 4.45Å
56	N	92.7	Very high	93.5	Very high	89 Å²	89	28 Å²	28	48%	0.476	14%	0.137	S	C	.	.			trans	49.2	38.6	-178.4	-169.6	35.2	0	0	0	113.1	R54 G191 S193	R54-N56 VanDerWaalsContact C-N 3.29Å; R54-N56 PolarHBondContact O-N 2.85Å; N56-G191 WeakPolarHBondContact O-CA 3.27Å; N56-G191 PolarHBondContact O-N 3.2Å; N56-S193 PolarHBondContact OD1-N 2.93Å
57	S	95.3	Very high	93.9	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.007	14%	0.135	C	C	.	.			trans	-84.4	136.3	-174.6	153.8	0	0	0	0	111.9	L55 N59 M60 Y188 S193 C194	L55-S57 PolarHBondContact O-N 2.84Å; L55-S57 VanDerWaalsContact O-N 3.12Å; S57-N59 VanDerWaalsContact C-N 3.26Å; S57-N59 PolarHBondContact O-N 2.79Å; S57-N59 PolarHBondContact OG-N 2.98Å; S57-N59 PolarHBondContact OG-OD1 3.26Å; S57-M60 WeakPolarHBondContact OG-CB 3.46Å; S57-M60 PolarHBondContact OG-N 3.48Å; S57-M60 VanDerWaalsContact OG-N 3.07Å; S57-Y188 VanDerWaalsContact CB-CD2 3.48Å; S57-Y188 VanDerWaalsContact OG-CB 3.28Å; S57-Y188 WeakPolarHBondContact OG-CB 3.24Å; S57-S193 VanDerWaalsContact O-CA 3.3Å; S57-S193 WeakPolarHBondContact O-CA 3.43Å; S57-C194 PolarHBondContact O-N 3.49Å
58	G	97.5	Very high	94.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-25.2	179.4	0	0	0	0	0	114.5	A189 P190 P192 C194 V195 H196 C197	G58-A189 PolarHBondContact N-O 3.4Å; G58-P190 WeakPolarHBondContact CA-O 3.29Å; G58-P190 PolarHBondContact N-O 3.09Å; G58-P192 WeakPolarHBondContact CA-O 3.24Å; G58-C194 CarbonylContact O-C 3.5Å; G58-C194 WeakPolarHBondContact O-CA 3.3Å; G58-C194 PolarHBondContact O-N 2.94Å; G58-V195 PolarHBondContact O-N 2.89Å; G58-H196 CarbonylContact O-C 3.57Å; G58-H196 WeakPolarHBondContact O-CA 3.48Å; G58-H196 PolarHBondContact O-N 2.81Å; G58-C197 PolarHBondContact O-N 3.09Å
59	N	97.7	Very high	94.4	Very high	22 Å²	22	36 Å²	36	12%	0.118	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-135.4	17.9	-171.2	71.6	-16	0	0	0	115	S57 Q61 H148 A189 H196	S57-N59 VanDerWaalsContact C-N 3.26Å; S57-N59 PolarHBondContact O-N 2.79Å; S57-N59 PolarHBondContact OG-N 2.98Å; S57-N59 PolarHBondContact OG-OD1 3.26Å; N59-Q61 PolarHBondContact O-N 3.32Å; N59-Q61 VanDerWaalsContact O-N 3.1Å; N59-H148 PolarHBondContact ND2-CE1 3.21Å; N59-H148 VanDerWaalsContact ND2-CG 3.32Å; N59-H148 PolarHBondContact ND2-ND1 3.1Å; N59-H148 VanDerWaalsContact ND2-ND1 3.1Å; N59-H148 VanDerWaalsContact OD1-CB 3.28Å; N59-H148 WeakPolarHBondContact OD1-CB 3.39Å; N59-A189 HydrophobicContact CB-CB 4.08Å; N59-A189 VanDerWaalsContact CG-CB 3.48Å; N59-A189 WeakPolarHBondContact OD1-CB 3.46Å; N59-A189 PolarHBondContact OD1-N 2.97Å; N59-H196 HydrophobicContact CB-CB 3.87Å; N59-H196 WeakPolarHBondContact CB-O 3.13Å
60	M	97.8	Very high	94.6	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.186	C	C	.	.			trans	-63.3	111.4	-176.5	-169.5	65.3	67.1	0	0	111.4	R52 L55 S57 A146 Y188 L208 C209	R52-M60 HydrophobicContact CB-CG 3.89Å; R52-M60 HydrophobicContact CB-SD 4.12Å; R52-M60 HydrophobicContact CG-SD 4.17Å; R52-M60 PolarHBondContact NE-SD 2.7Å; R52-M60 VanDerWaalsContact NE-SD 3.39Å; R52-M60 PolarHBondContact NH2-SD 2.97Å; L55-M60 HydrophobicContact CB-CE 4.3Å; L55-M60 HydrophobicContact CD1-CE 3.62Å; S57-M60 WeakPolarHBondContact OG-CB 3.46Å; S57-M60 PolarHBondContact OG-N 3.48Å; S57-M60 VanDerWaalsContact OG-N 3.07Å; M60-A146 WeakPolarHBondContact CE-O 3.19Å; M60-Y188 HydrophobicContact CE-CD1 3.61Å; M60-Y188 HydrophobicContact CE-CE1 4.36Å; M60-Y188 HydrophobicContact CE-CG 3.89Å; M60-L208 HydrophobicContact CB-CD2 3.88Å; M60-L208 HydrophobicContact CG-CD2 3.4Å; M60-L208 VanDerWaalsContact CG-CD2 3.4Å; M60-L208 CarbonylContact O-C 3.35Å; M60-L208 WeakPolarHBondContact O-CA 3.43Å; M60-C209 WeakPolarHBondContact O-CB 3.34Å; M60-C209 PolarHBondContact O-N 3.44Å
61	Q	96.9	Very high	95	Very high	21 Å²	21	35 Å²	35	10%	0.098	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-75.7	145.7	175	-58.1	-174.4	34.3	0	0	110.7	R52 N59 H148 N201 C209	R52-Q61 PolarHBondContact NE-O 3.17Å; R52-Q61 PolarHBondContact NH2-O 3.48Å; N59-Q61 PolarHBondContact O-N 3.32Å; N59-Q61 VanDerWaalsContact O-N 3.1Å; Q61-H148 WeakPolarHBondContact CB-O 3.39Å; Q61-H148 VanDerWaalsContact CG-O 3.23Å; Q61-H148 WeakPolarHBondContact CG-O 3.35Å; Q61-H148 PolarHBondContact N-O 3.19Å; Q61-N201 PolarHBondContact OE1-ND2 3.43Å; Q61-C209 VanDerWaalsContact CA-O 3.32Å; Q61-C209 WeakPolarHBondContact CA-O 3.49Å; Q61-C209 HydrophobicContact CG-CB 4.45Å
62	C	95.7	Very high	95.3	Very high	3 Å²	3	40.2 Å²	40.2	2%	0.02	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-77.5	147.3	170.8	58.6	0	0	0	0	111.8	N49 T64 L208 C209 C210	N49-C62 WeakPolarHBondContact OD1-CA 3.33Å; N49-C62 WeakPolarHBondContact OD1-CB 3.2Å; C62-T64 PolarHBondContact O-N 2.74Å; C62-L208 HydrophobicContact CB-CB 4.01Å; C62-L208 HydrophobicContact CB-CD1 3.84Å; C62-C209 PolarHBondContact N-O 2.7Å; C62-C210 HydrophobicContact CB-CB 4.42Å; C62-C210 WeakPolarHBondContact CB-SG 3.31Å; C62-C210 WeakPolarHBondContact SG-CA 3.48Å; C62-C210 WeakPolarHBondContact SG-CB 3.41Å; C62-C210 CovalentContact SG-SG 2.04Å; C62-C210 PolarHBondContact SG-SG 3.32Å
63	I	95.2	Very high	95.3	Very high	3 Å²	3	42.6 Å²	42.6	2%	0.015	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-70.7	117	164.3	-53	-54.8	0	0	0	107.3	V45 F48 N49 G150 S151 I153 M177	V45-I63 HydrophobicContact CB-CG2 4.4Å; V45-I63 HydrophobicContact CG1-CB 4.32Å; V45-I63 HydrophobicContact CG1-CG2 4Å; V45-I63 HydrophobicContact CG2-CG2 4.15Å; F48-I63 HydrophobicContact CB-CG1 3.89Å; N49-I63 PolarHBondContact ND2-O 3.04Å; N49-I63 PolarHBondContact OD1-N 3.25Å; I63-G150 WeakPolarHBondContact CD1-O 3.38Å; I63-S151 CarbonylContact C-O 3.58Å; I63-S151 WeakPolarHBondContact CA-O 3.36Å; I63-I153 HydrophobicContact CG2-CB 4.21Å; I63-I153 HydrophobicContact CG2-CG2 3.59Å; I63-M177 HydrophobicContact CD1-CE 3.58Å
64	T	91.9	Very high	95.5	Very high	71 Å²	71	41.4 Å²	41.4	44%	0.436	21%	0.209	S	C	.	.			trans	-95	-24.6	-174	55.7	0	0	0	0	112.4	C62 S151 P211	C62-T64 PolarHBondContact O-N 2.74Å; T64-S151 PolarHBondContact N-O 3.22Å; T64-S151 PolarHBondContact OG1-O 3.29Å; T64-P211 HydrophobicContact CG2-CG 3.89Å
65	M	91.9	Very high	95.8	Very high	96 Å²	96	37.1 Å²	37.1	47%	0.473	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	157.6	-176.7	62.8	-175.3	-68.3	0	0	113.7	E152 I153	M65-E152 HydrophobicContact CG-CG 3.84Å; M65-E152 HydrophobicContact SD-CG 4.28Å; M65-I153 PolarHBondContact O-N 3.26Å
66	W	95.3	Very high	96	Very high	37 Å²	37	42.4 Å²	42.4	14%	0.14	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	124.9	161	-177.7	-93.5	0	0	0	109.3	F36 Q41 F44 V45 A71 I153 C155	F36-W66 HydrophobicContact CD2-CH2 4.47Å; Q41-W66 HydrophobicContact CB-CD2 3.65Å; Q41-W66 HydrophobicContact CB-CE3 3.84Å; Q41-W66 HydrophobicContact CB-CG 3.97Å; Q41-W66 HydrophobicContact CB-CH2 4.4Å; Q41-W66 HydrophobicContact CB-CZ2 4.31Å; Q41-W66 HydrophobicContact CB-CZ3 4.23Å; Q41-W66 HydrophobicContact CG-CD2 3.76Å; Q41-W66 VanDerWaalsContact CG-CE2 3.44Å; Q41-W66 HydrophobicContact CG-CE3 4.18Å; Q41-W66 HydrophobicContact CG-CG 4.25Å; Q41-W66 HydrophobicContact CG-CH2 3.95Å; Q41-W66 HydrophobicContact CG-CZ2 3.57Å; Q41-W66 HydrophobicContact CG-CZ3 4.27Å; F44-W66 HydrophobicContact CB-CE3 4.31Å; F44-W66 HydrophobicContact CB-CZ3 3.78Å; F44-W66 HydrophobicContact CD2-CH2 4.13Å; F44-W66 AromaticContact CD2-CZ3 3.77Å; F44-W66 HydrophobicContact CD2-CZ3 3.77Å; F44-W66 AromaticContact CG-CZ3 3.99Å; F44-W66 HydrophobicContact CG-CZ3 3.99Å; V45-W66 HydrophobicContact CG2-CB 4.2Å; W66-A71 HydrophobicContact CZ2-CB 3.48Å; W66-A71 VanDerWaalsContact CZ2-CB 3.48Å; W66-I153 CarbonylContact C-O 3.41Å; W66-I153 WeakPolarHBondContact CA-O 3.25Å; W66-I153 HydrophobicContact CE3-CG2 4.3Å; W66-C155 HydrophobicContact CH2-CB 3.72Å; W66-C155 WeakPolarHBondContact CH2-O 3.48Å; W66-C155 WeakPolarHBondContact CZ2-O 3.39Å; W66-C155 HydrophobicContact CZ3-CB 4.15Å
67	N	97.3	Very high	96	Very high	26 Å²	26	38.6 Å²	38.6	14%	0.139	20%	0.195	C	C	.	.			trans	-103.6	121.4	178.6	-179.6	-49.8	0	0	0	109.6	D69 L70 A71 E152 I153	N67-D69 WeakPolarHBondContact OD1-CA 3.32Å; N67-D69 WeakPolarHBondContact OD1-CB 3.42Å; N67-D69 PolarHBondContact OD1-N 3.06Å; N67-L70 HydrophobicContact CB-CB 4.09Å; N67-L70 HydrophobicContact CB-CD1 3.87Å; N67-L70 HydrophobicContact CB-CG 3.94Å; N67-L70 PolarHBondContact O-N 3.2Å; N67-L70 PolarHBondContact OD1-N 2.85Å; N67-A71 WeakPolarHBondContact O-CB 3.44Å; N67-A71 PolarHBondContact O-N 2.85Å; N67-E152 HydrophobicContact CB-CB 4.21Å; N67-E152 PolarHBondContact ND2-OE2 2.89Å; N67-I153 PolarHBondContact N-O 3.27Å
68	T	97.2	Very high	96	Very high	87 Å²	87	38.6 Å²	38.6	53%	0.534	20%	0.195	S	C	.	.	H	α-helix	trans	-66	-38	-177.2	49.4	0	0	0	0	112.8	A71 E72	T68-A71 WeakPolarHBondContact O-CB 3.32Å; T68-A71 PolarHBondContact O-N 3.31Å; T68-E72 WeakPolarHBondContact O-CG 3.21Å; T68-E72 PolarHBondContact O-N 3.44Å
69	D	97	Very high	95.9	Very high	98 Å²	98	42 Å²	42	52%	0.524	21%	0.21	S	C	.	.	H	α-helix	trans	-68.8	-38.8	-179.9	-58.3	-15.4	0	0	0	111	N67 A71 Y73	N67-D69 WeakPolarHBondContact OD1-CA 3.32Å; N67-D69 WeakPolarHBondContact OD1-CB 3.42Å; N67-D69 PolarHBondContact OD1-N 3.06Å; D69-A71 VanDerWaalsContact C-N 3.33Å; D69-Y73 WeakPolarHBondContact O-CB 3.48Å; D69-Y73 PolarHBondContact O-N 2.69Å
70	L	97.3	Very high	95.8	Very high	3 Å²	3	42.8 Å²	42.8	2%	0.016	22%	0.216	C	C	.	.	H	α-helix	trans	-64.4	-39.8	172.2	-66.7	-176.5	0	0	0	111	N67 Y73 A74 Y93 E152 A176 N178	N67-L70 HydrophobicContact CB-CB 4.09Å; N67-L70 HydrophobicContact CB-CD1 3.87Å; N67-L70 HydrophobicContact CB-CG 3.94Å; N67-L70 PolarHBondContact O-N 3.2Å; N67-L70 PolarHBondContact OD1-N 2.85Å; L70-Y73 PolarHBondContact O-N 2.66Å; L70-A74 VanDerWaalsContact O-CB 3.28Å; L70-A74 WeakPolarHBondContact O-CB 3.48Å; L70-A74 PolarHBondContact O-N 2.66Å; L70-Y93 HydrophobicContact CD2-CD1 3.5Å; L70-Y93 VanDerWaalsContact CD2-CD1 3.5Å; L70-Y93 HydrophobicContact CD2-CD2 3.81Å; L70-Y93 HydrophobicContact CD2-CE1 3.6Å; L70-Y93 HydrophobicContact CD2-CE2 3.88Å; L70-Y93 HydrophobicContact CD2-CG 3.62Å; L70-E152 HydrophobicContact CD1-CB 4.05Å; L70-A176 HydrophobicContact CB-CB 4.08Å; L70-A176 HydrophobicContact CD2-CB 4.13Å; L70-N178 HydrophobicContact CD1-CB 4.31Å
71	A	98	Very high	95.6	Very high	14 Å²	14	43.2 Å²	43.2	12%	0.116	22%	0.219	C	C	.	.	H	α-helix	trans	-67.3	-44.5	178.6	0	0	0	0	0	112	W66 N67 T68 D69 Y73 A74 Q75	W66-A71 HydrophobicContact CZ2-CB 3.48Å; W66-A71 VanDerWaalsContact CZ2-CB 3.48Å; N67-A71 WeakPolarHBondContact O-CB 3.44Å; N67-A71 PolarHBondContact O-N 2.85Å; T68-A71 WeakPolarHBondContact O-CB 3.32Å; T68-A71 PolarHBondContact O-N 3.31Å; D69-A71 VanDerWaalsContact C-N 3.33Å; A71-Y73 VanDerWaalsContact C-N 3.34Å; A71-Y73 PolarHBondContact O-N 3.35Å; A71-A74 PolarHBondContact O-N 3.22Å; A71-Q75 WeakPolarHBondContact O-CB 3.22Å; A71-Q75 PolarHBondContact O-N 3.15Å
72	E	97.1	Very high	95.4	Very high	114 Å²	114	42.5 Å²	42.5	53%	0.533	22%	0.217	S	C	.	.	H	α-helix	trans	-62.4	-41	175	-75	-176.5	-168	0	0	112	T68 K76	T68-E72 WeakPolarHBondContact O-CG 3.21Å; T68-E72 PolarHBondContact O-N 3.44Å; E72-K76 WeakPolarHBondContact O-CG 3.38Å; E72-K76 PolarHBondContact O-N 2.93Å
73	Y	95	Very high	95	Very high	52 Å²	52	42.9 Å²	42.9	20%	0.204	22%	0.219	C	C	.	.	H	α-helix	trans	-62.3	-50.7	174.1	174.8	-103.1	0	0	0	111.2	D69 L70 A71 Q75 K76 M77 Y93 I95 A176	D69-Y73 WeakPolarHBondContact O-CB 3.48Å; D69-Y73 PolarHBondContact O-N 2.69Å; L70-Y73 PolarHBondContact O-N 2.66Å; A71-Y73 VanDerWaalsContact C-N 3.34Å; A71-Y73 PolarHBondContact O-N 3.35Å; Y73-Q75 VanDerWaalsContact C-N 3.3Å; Y73-Q75 PolarHBondContact O-N 3.18Å; Y73-K76 PolarHBondContact O-N 3.25Å; Y73-M77 HydrophobicContact CD1-CG 4.47Å; Y73-M77 HydrophobicContact CE1-CG 4.03Å; Y73-M77 HydrophobicContact CE2-CG 4.1Å; Y73-M77 HydrophobicContact CE2-SD 4.17Å; Y73-M77 WeakPolarHBondContact O-CG 3.5Å; Y73-M77 PolarHBondContact O-N 3.46Å; Y73-Y93 AromaticContact CD1-CD2 3.71Å; Y73-Y93 HydrophobicContact CD1-CD2 3.71Å; Y73-Y93 HydrophobicContact CD1-CE2 4.3Å; Y73-Y93 AromaticContact CE1-CD2 3.94Å; Y73-Y93 HydrophobicContact CE1-CD2 3.94Å; Y73-Y93 HydrophobicContact CG-CD2 4.08Å; Y73-Y93 HydrophobicContact CG-CE2 4.22Å; Y73-I95 HydrophobicContact CD1-CD1 4.23Å; Y73-I95 HydrophobicContact CE1-CD1 3.69Å; Y73-I95 HydrophobicContact CE1-CG1 4.39Å; Y73-A176 HydrophobicContact CD1-CB 3.92Å
74	A	96.4	Very high	94.5	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-60.8	-38.7	179	0	0	0	0	0	112.4	L70 A71 M77 A78 V174 A176	L70-A74 VanDerWaalsContact O-CB 3.28Å; L70-A74 WeakPolarHBondContact O-CB 3.48Å; L70-A74 PolarHBondContact O-N 2.66Å; A71-A74 PolarHBondContact O-N 3.22Å; A74-M77 PolarHBondContact O-N 2.92Å; A74-A78 PolarHBondContact O-N 3.12Å; A74-V174 HydrophobicContact CB-CB 4.22Å; A74-V174 HydrophobicContact CB-CG1 4.04Å; A74-V174 WeakPolarHBondContact CB-O 3.36Å; A74-A176 HydrophobicContact CB-CB 4.15Å
75	Q	97.4	Very high	93.8	Very high	19 Å²	19	46.1 Å²	46.1	9%	0.089	23%	0.23	C	C	.	.	H	α-helix	trans	-62.9	-46.8	176.1	-175	56.5	49.1	0	0	111.7	A71 Y73 M77 A78 E79 M157	A71-Q75 WeakPolarHBondContact O-CB 3.22Å; A71-Q75 PolarHBondContact O-N 3.15Å; Y73-Q75 VanDerWaalsContact C-N 3.3Å; Y73-Q75 PolarHBondContact O-N 3.18Å; Q75-M77 VanDerWaalsContact C-N 3.27Å; Q75-M77 PolarHBondContact O-N 2.72Å; Q75-A78 PolarHBondContact O-N 3.03Å; Q75-E79 WeakPolarHBondContact CG-OE1 3.36Å; Q75-E79 PolarHBondContact NE2-OE1 3.22Å; Q75-E79 WeakPolarHBondContact O-CG 3.12Å; Q75-E79 PolarHBondContact O-N 3.29Å; Q75-M157 PolarHBondContact NE2-O 3.04Å; Q75-M157 PolarHBondContact OE1-O 3.02Å
76	K	95.1	Very high	93.1	Very high	134 Å²	134	41.8 Å²	41.8	58%	0.583	21%	0.209	S	C	*	.	H	α-helix	trans	-59	-39.5	173.9	-73.1	169.3	-174.8	168.2	0	112	E72 Y73 E79 T80	E72-K76 WeakPolarHBondContact O-CG 3.38Å; E72-K76 PolarHBondContact O-N 2.93Å; Y73-K76 PolarHBondContact O-N 3.25Å; K76-E79 PolarHBondContact O-N 2.88Å; K76-T80 WeakPolarHBondContact O-CG2 3.46Å; K76-T80 PolarHBondContact O-N 3.2Å
77	M	93.7	Very high	91.9	Very high	10 Å²	10	46 Å²	46	5%	0.049	23%	0.23	C	C	.	.	H	α-helix	trans	-68	-42.4	177.2	-67	-48	-74.7	0	0	112.2	Y73 A74 Q75 E79 T80 K85 L86 D89 V174	Y73-M77 HydrophobicContact CD1-CG 4.47Å; Y73-M77 HydrophobicContact CE1-CG 4.03Å; Y73-M77 HydrophobicContact CE2-CG 4.1Å; Y73-M77 HydrophobicContact CE2-SD 4.17Å; Y73-M77 WeakPolarHBondContact O-CG 3.5Å; Y73-M77 PolarHBondContact O-N 3.46Å; A74-M77 PolarHBondContact O-N 2.92Å; Q75-M77 VanDerWaalsContact C-N 3.27Å; Q75-M77 PolarHBondContact O-N 2.72Å; M77-E79 VanDerWaalsContact C-N 3.28Å; M77-E79 PolarHBondContact O-N 2.98Å; M77-T80 WeakPolarHBondContact O-CB 3.41Å; M77-T80 PolarHBondContact O-N 3.42Å; M77-T80 VanDerWaalsContact O-N 3.11Å; M77-T80 PolarHBondContact O-OG1 2.85Å; M77-K85 HydrophobicContact CE-CG 4.2Å; M77-L86 HydrophobicContact CB-CD2 3.64Å; M77-L86 HydrophobicContact CB-CG 4.5Å; M77-L86 HydrophobicContact CE-CD2 3.61Å; M77-L86 HydrophobicContact CE-CG 4.08Å; M77-L86 HydrophobicContact CG-CD2 3.91Å; M77-D89 VanDerWaalsContact CE-OD2 3.3Å; M77-D89 WeakPolarHBondContact CE-OD2 3.44Å; M77-V174 HydrophobicContact CB-CG1 4.23Å; M77-V174 HydrophobicContact CB-CG2 4.3Å
78	A	95.6	Very high	90.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-59.6	-39.9	175.8	0	0	0	0	0	111.8	A74 Q75 T80 C81 A158 V174	A74-A78 PolarHBondContact O-N 3.12Å; Q75-A78 PolarHBondContact O-N 3.03Å; A78-T80 PolarHBondContact O-N 2.95Å; A78-C81 PolarHBondContact O-N 3.03Å; A78-A158 HydrophobicContact CB-CB 4.02Å; A78-A158 WeakPolarHBondContact O-CB 3.46Å; A78-V174 HydrophobicContact CB-CG2 4.05Å
79	E	95.6	Very high	88.4	Confident	71 Å²	71	51 Å²	51	33%	0.332	25%	0.249	S	C	.	.	H	α-helix	trans	-67.1	-15.6	177.7	-72.5	168.8	-152	0	0	114.2	V31 P33 Q75 K76 M77 C81 A158	V31-E79 HydrophobicContact CG1-CB 4.31Å; V31-E79 HydrophobicContact CG1-CG 4.36Å; P33-E79 HydrophobicContact CB-CG 4.32Å; P33-E79 WeakPolarHBondContact CB-OE1 3.44Å; P33-E79 HydrophobicContact CG-CG 4.12Å; Q75-E79 WeakPolarHBondContact CG-OE1 3.36Å; Q75-E79 PolarHBondContact NE2-OE1 3.22Å; Q75-E79 WeakPolarHBondContact O-CG 3.12Å; Q75-E79 PolarHBondContact O-N 3.29Å; K76-E79 PolarHBondContact O-N 2.88Å; M77-E79 VanDerWaalsContact C-N 3.28Å; M77-E79 PolarHBondContact O-N 2.98Å; E79-C81 PolarHBondContact O-N 2.8Å; E79-A158 HydrophobicContact CG-CB 4.18Å
80	T	93.7	Very high	86.2	Confident	40 Å²	40	53.7 Å²	53.7	25%	0.245	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-16.8	171.8	71.6	0	0	0	0	112.6	K76 M77 A78 S82 K85	K76-T80 WeakPolarHBondContact O-CG2 3.46Å; K76-T80 PolarHBondContact O-N 3.2Å; M77-T80 WeakPolarHBondContact O-CB 3.41Å; M77-T80 PolarHBondContact O-N 3.42Å; M77-T80 VanDerWaalsContact O-N 3.11Å; M77-T80 PolarHBondContact O-OG1 2.85Å; A78-T80 PolarHBondContact O-N 2.95Å; T80-S82 PolarHBondContact O-N 2.78Å; T80-S82 VanDerWaalsContact O-N 3.14Å; T80-K85 HydrophobicContact CG2-CD 3.93Å
81	C	94.2	Very high	84.7	Confident	8 Å²	8	55.2 Å²	55.2	5%	0.054	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.5	40.4	-176.6	-63.5	0	0	0	0	112.3	V31 A78 E79 C160 F162 I163 I164	V31-C81 VanDerWaalsContact CG2-SG 3.5Å; A78-C81 PolarHBondContact O-N 3.03Å; E79-C81 PolarHBondContact O-N 2.8Å; C81-C160 VanDerWaalsContact CA-SG 3.54Å; C81-C160 HydrophobicContact CB-CB 3.67Å; C81-C160 WeakPolarHBondContact CB-SG 3.35Å; C81-C160 WeakPolarHBondContact SG-CB 3.25Å; C81-C160 CovalentContact SG-SG 2.03Å; C81-C160 PolarHBondContact SG-SG 3.3Å; C81-F162 WeakPolarHBondContact CB-O 3.4Å; C81-I163 CarbonylContact O-C 3.2Å; C81-I163 VanDerWaalsContact O-CA 3.31Å; C81-I163 WeakPolarHBondContact O-CA 3.4Å; C81-I164 PolarHBondContact O-N 2.99Å
82	S	92.4	Very high	83.8	Confident	7 Å²	7	62.4 Å²	62.4	5%	0.049	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-139	117.8	-176.9	174.9	0	0	0	0	110.5	T80 T84 K85 I164	T80-S82 PolarHBondContact O-N 2.78Å; T80-S82 VanDerWaalsContact O-N 3.14Å; S82-T84 PolarHBondContact OG-OG1 3.39Å; S82-K85 WeakPolarHBondContact OG-CB 3.3Å; S82-K85 PolarHBondContact OG-N 2.97Å; S82-I164 WeakPolarHBondContact CA-O 3.25Å
83	V	88.9	Confident	83.5	Confident	10 Å²	10	59.2 Å²	59.2	6%	0.061	29%	0.288	C	S	.	.	H	α-helix	trans	-75.6	-30.2	171.7	-60.7	0	0	0	0	111.3	L86 E87 M97 T99 I163 I164 K166 L172	V83-L86 WeakPolarHBondContact O-CB 3.49Å; V83-L86 PolarHBondContact O-N 2.79Å; V83-E87 PolarHBondContact O-N 2.82Å; V83-M97 HydrophobicContact CB-CE 3.95Å; V83-M97 HydrophobicContact CB-SD 3.85Å; V83-M97 HydrophobicContact CG1-CE 4.46Å; V83-M97 HydrophobicContact CG1-SD 3.88Å; V83-T99 HydrophobicContact CG1-CG2 3.93Å; V83-I163 HydrophobicContact CG1-CG2 4.05Å; V83-I164 WeakPolarHBondContact CG2-O 3.48Å; V83-I164 PolarHBondContact N-O 3.25Å; V83-K166 HydrophobicContact CG1-CG 4.42Å; V83-L172 HydrophobicContact CG1-CD1 4.18Å
84	T	82.8	Confident	83.4	Confident	46 Å²	46	56.8 Å²	56.8	28%	0.282	28%	0.278	S	S	.	.	H	α-helix	trans	-67.7	-38	179.7	58.1	0	0	0	0	111.9	S82 L86 E87 E88	S82-T84 PolarHBondContact OG-OG1 3.39Å; T84-L86 VanDerWaalsContact C-N 3.25Å; T84-L86 PolarHBondContact O-N 3.12Å; T84-E87 PolarHBondContact O-N 2.87Å; T84-E88 WeakPolarHBondContact O-CG 3.49Å; T84-E88 PolarHBondContact O-N 3.43Å
85	K	79	Confident	83.3	Confident	96 Å²	96	57.7 Å²	57.7	42%	0.417	28%	0.283	S	S	.	.	H	α-helix	trans	-64.7	-31.3	177.2	-172.9	170.7	176.2	-178.7	0	112.7	M77 T80 S82 E87 D89	M77-K85 HydrophobicContact CE-CG 4.2Å; T80-K85 HydrophobicContact CG2-CD 3.93Å; S82-K85 WeakPolarHBondContact OG-CB 3.3Å; S82-K85 PolarHBondContact OG-N 2.97Å; K85-E87 VanDerWaalsContact C-N 3.34Å; K85-D89 PolarHBondContact O-N 2.9Å
86	L	75.1	Confident	83.1	Confident	6 Å²	6	56.8 Å²	56.8	3%	0.031	28%	0.279	C	S	.	.	H	α-helix	trans	-68.8	-33.7	172.7	-76	162.6	0	0	0	111.6	M77 V83 T84 E91 I95 M97 L172 V174	M77-L86 HydrophobicContact CB-CD2 3.64Å; M77-L86 HydrophobicContact CB-CG 4.5Å; M77-L86 HydrophobicContact CE-CD2 3.61Å; M77-L86 HydrophobicContact CE-CG 4.08Å; M77-L86 HydrophobicContact CG-CD2 3.91Å; V83-L86 WeakPolarHBondContact O-CB 3.49Å; V83-L86 PolarHBondContact O-N 2.79Å; T84-L86 VanDerWaalsContact C-N 3.25Å; T84-L86 PolarHBondContact O-N 3.12Å; L86-E91 VanDerWaalsContact O-OE1 3.07Å; L86-I95 HydrophobicContact CD2-CG2 4Å; L86-M97 HydrophobicContact CB-SD 3.97Å; L86-M97 HydrophobicContact CD1-CB 4.17Å; L86-M97 HydrophobicContact CD1-CG 4.42Å; L86-M97 HydrophobicContact CD1-SD 3.44Å; L86-M97 WeakPolarHBondContact CD1-SD 3.4Å; L86-M97 HydrophobicContact CG-SD 4.33Å; L86-L172 HydrophobicContact CD1-CD2 4.44Å; L86-V174 HydrophobicContact CD1-CG2 3.67Å; L86-V174 HydrophobicContact CD2-CG1 4.04Å; L86-V174 HydrophobicContact CD2-CG2 4.3Å
87	E	71.2	Confident	83.1	Confident	124 Å²	124	51.5 Å²	51.5	58%	0.579	26%	0.256	S	S	*	.	H	α-helix	trans	-78.4	-31.3	178.5	-66.6	172.1	173.1	0	0	113	V83 T84 K85 M97	V83-E87 PolarHBondContact O-N 2.82Å; T84-E87 PolarHBondContact O-N 2.87Å; K85-E87 VanDerWaalsContact C-N 3.34Å; E87-M97 HydrophobicContact CG-CE 4.08Å
88	E	63.7	Low	83	Confident	151 Å²	151	51.2 Å²	51.2	71%	0.706	26%	0.255	S	S	*	.	H	α-helix	trans	-82.6	-26.1	-178.2	-72.9	177	-177.8	0	0	114.1	T84 V90	T84-E88 WeakPolarHBondContact O-CG 3.49Å; T84-E88 PolarHBondContact O-N 3.43Å; E88-V90 PolarHBondContact O-N 2.95Å
89	D	57.1	Low	82.9	Confident	68 Å²	68	52.8 Å²	52.8	36%	0.364	27%	0.265	S	S	.	.	S	Bend	trans	-63.4	132	-177.9	-104	-14.9	0	0	0	110.8	M77 K85 E91	M77-D89 VanDerWaalsContact CE-OD2 3.3Å; M77-D89 WeakPolarHBondContact CE-OD2 3.44Å; K85-D89 PolarHBondContact O-N 2.9Å; D89-E91 HydrophobicContact CB-CG 3.85Å; D89-E91 WeakPolarHBondContact O-CG 3.49Å; D89-E91 PolarHBondContact O-N 2.95Å
90	V	51.5	Low	82.6	Confident	155 Å²	155	52.5 Å²	52.5	94%	0.939	26%	0.261	S	S	*	.			trans	-77.9	70.5	175.2	-172.1	0	0	0	0	107.8	E88	E88-V90 PolarHBondContact O-N 2.95Å
91	E	64.8	Low	82.2	Confident	35 Å²	35	52.2 Å²	52.2	16%	0.164	26%	0.26	C	S	.	.			trans	-71.1	134.9	-159.5	-63.1	156.7	148.7	0	0	115.1	L86 D89 Y93 I95 K180	L86-E91 VanDerWaalsContact O-OE1 3.07Å; D89-E91 HydrophobicContact CB-CG 3.85Å; D89-E91 WeakPolarHBondContact O-CG 3.49Å; D89-E91 PolarHBondContact O-N 2.95Å; E91-Y93 VanDerWaalsContact C-N 3.3Å; E91-Y93 WeakPolarHBondContact CB-O 3.43Å; E91-I95 WeakPolarHBondContact OE1-CG1 3.33Å; E91-K180 IonicContact OE2-NZ 2.8Å; E91-K180 PolarHBondContact OE2-NZ 2.79Å
92	K	79.7	Confident	81.5	Confident	165 Å²	165	53.7 Å²	53.7	72%	0.717	27%	0.265	S	S	*	.	S	Bend	trans	-67.4	-27.2	165.4	-177.1	-176	175.4	-162.6	0	112.9
93	Y	90.4	Very high	80.3	Confident	47 Å²	47	61 Å²	61	18%	0.184	30%	0.301	C	S	.	.	S	Bend	trans	-115.3	161.5	-172	-57.7	-49.7	0	0	0	111.4	L70 Y73 E91 M177	L70-Y93 HydrophobicContact CD2-CD1 3.5Å; L70-Y93 VanDerWaalsContact CD2-CD1 3.5Å; L70-Y93 HydrophobicContact CD2-CD2 3.81Å; L70-Y93 HydrophobicContact CD2-CE1 3.6Å; L70-Y93 HydrophobicContact CD2-CE2 3.88Å; L70-Y93 HydrophobicContact CD2-CG 3.62Å; Y73-Y93 AromaticContact CD1-CD2 3.71Å; Y73-Y93 HydrophobicContact CD1-CD2 3.71Å; Y73-Y93 HydrophobicContact CD1-CE2 4.3Å; Y73-Y93 AromaticContact CE1-CD2 3.94Å; Y73-Y93 HydrophobicContact CE1-CD2 3.94Å; Y73-Y93 HydrophobicContact CG-CD2 4.08Å; Y73-Y93 HydrophobicContact CG-CE2 4.22Å; E91-Y93 VanDerWaalsContact C-N 3.3Å; E91-Y93 WeakPolarHBondContact CB-O 3.43Å; Y93-M177 WeakPolarHBondContact CB-O 3.44Å
94	G	93.4	Very high	79.3	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	133.8	168	0	0	0	0	0	110.5	A176 M177	G94-A176 CarbonylContact O-C 3.5Å; G94-A176 WeakPolarHBondContact O-CA 3.39Å; G94-M177 PolarHBondContact N-O 2.94Å; G94-M177 PolarHBondContact O-N 3.19Å
95	I	93.2	Very high	79	Confident	19 Å²	19	62.7 Å²	62.7	10%	0.097	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.3	-176.4	-64.5	-67.7	0	0	0	111.7	Y73 L86 E91 Q144 V174 C175 A176	Y73-I95 HydrophobicContact CD1-CD1 4.23Å; Y73-I95 HydrophobicContact CE1-CD1 3.69Å; Y73-I95 HydrophobicContact CE1-CG1 4.39Å; L86-I95 HydrophobicContact CD2-CG2 4Å; E91-I95 WeakPolarHBondContact OE1-CG1 3.33Å; I95-Q144 WeakPolarHBondContact O-CG 3.48Å; I95-V174 HydrophobicContact CD1-CG1 4.08Å; I95-V174 HydrophobicContact CG2-CG1 3.81Å; I95-C175 WeakPolarHBondContact CA-O 3.41Å; I95-A176 HydrophobicContact CD1-CB 3.49Å; I95-A176 VanDerWaalsContact CD1-CB 3.49Å
96	V	94.3	Very high	79.3	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	143	160.6	-59.5	0	0	0	0	109.1	F48 F116 N141 Q144 F145 C175	F48-V96 HydrophobicContact CZ-CG2 4.22Å; V96-F116 HydrophobicContact CB-CD1 4.22Å; V96-F116 HydrophobicContact CB-CE1 3.92Å; V96-F116 HydrophobicContact CB-CE2 4.25Å; V96-F116 HydrophobicContact CB-CZ 3.95Å; V96-F116 HydrophobicContact CG2-CD1 4.46Å; V96-F116 HydrophobicContact CG2-CD2 3.93Å; V96-F116 HydrophobicContact CG2-CE1 4.07Å; V96-F116 HydrophobicContact CG2-CE2 3.5Å; V96-F116 HydrophobicContact CG2-CG 4.41Å; V96-F116 HydrophobicContact CG2-CZ 3.58Å; V96-N141 WeakPolarHBondContact CA-OD1 3.33Å; V96-N141 WeakPolarHBondContact CG1-O 3.17Å; V96-Q144 HydrophobicContact CG1-CB 3.67Å; V96-Q144 HydrophobicContact CG1-CG 3.67Å; V96-F145 HydrophobicContact CG1-CB 4.22Å; V96-C175 HydrophobicContact CG2-CB 3.59Å; V96-C175 PolarHBondContact N-O 2.93Å; V96-C175 PolarHBondContact O-N 3.49Å
97	M	93.7	Very high	79.9	Confident	23 Å²	23	58.2 Å²	58.2	11%	0.113	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	147.1	-179.3	62.1	171.2	170.6	0	0	112.2	V83 L86 E87 N141 V173 V174	V83-M97 HydrophobicContact CB-CE 3.95Å; V83-M97 HydrophobicContact CB-SD 3.85Å; V83-M97 HydrophobicContact CG1-CE 4.46Å; V83-M97 HydrophobicContact CG1-SD 3.88Å; L86-M97 HydrophobicContact CB-SD 3.97Å; L86-M97 HydrophobicContact CD1-CB 4.17Å; L86-M97 HydrophobicContact CD1-CG 4.42Å; L86-M97 HydrophobicContact CD1-SD 3.44Å; L86-M97 WeakPolarHBondContact CD1-SD 3.4Å; L86-M97 HydrophobicContact CG-SD 4.33Å; E87-M97 HydrophobicContact CG-CE 4.08Å; M97-N141 PolarHBondContact N-OD1 3.48Å; M97-N141 PolarHBondContact O-ND2 2.96Å; M97-N141 PolarHBondContact O-OD1 3.32Å; M97-V173 CarbonylContact C-O 3.57Å; M97-V173 WeakPolarHBondContact CA-O 3.33Å; M97-V174 HydrophobicContact CB-CG2 4.46Å
98	V	93.1	Very high	80.7	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.024	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	142.1	173.9	59.2	0	0	0	0	109.8	L112 F116 V173	V98-L112 HydrophobicContact CG1-CD2 3.41Å; V98-L112 VanDerWaalsContact CG1-CD2 3.41Å; V98-F116 HydrophobicContact CB-CE1 3.78Å; V98-F116 HydrophobicContact CB-CZ 4.13Å; V98-F116 HydrophobicContact CG1-CE1 3.96Å; V98-F116 HydrophobicContact CG1-CZ 3.78Å; V98-V173 HydrophobicContact CG1-CB 3.89Å; V98-V173 HydrophobicContact CG1-CG1 4.47Å; V98-V173 HydrophobicContact CG1-CG2 4.47Å; V98-V173 PolarHBondContact N-O 2.97Å; V98-V173 PolarHBondContact O-N 3Å
99	T	92.1	Very high	82	Confident	34 Å²	34	45.3 Å²	45.3	21%	0.209	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	132.1	173.8	56.5	0	0	0	0	110.1	V83 I163 K166 Y171 L172	V83-T99 HydrophobicContact CG1-CG2 3.93Å; T99-I163 HydrophobicContact CG2-CD1 4.02Å; T99-I163 HydrophobicContact CG2-CG2 4.26Å; T99-K166 HydrophobicContact CG2-CG 4.07Å; T99-Y171 CarbonylContact C-O 3.56Å; T99-Y171 VanDerWaalsContact CA-O 3.3Å; T99-Y171 WeakPolarHBondContact CA-O 3.4Å; T99-L172 HydrophobicContact CG2-CD1 3.89Å
100	R	89.2	Confident	83.5	Confident	64 Å²	64	42.2 Å²	42.2	24%	0.242	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	116.3	175.5	-70.8	-65.6	-169.6	163.9	0.2	110.2	P107 G170 Y171	R100-P107 HydrophobicContact CG-CB 4.38Å; R100-P107 HydrophobicContact CG-CG 4.25Å; R100-G170 CarbonylContact O-C 3.37Å; R100-G170 WeakPolarHBondContact O-CA 3.46Å; R100-Y171 HydrophobicContact CB-CD2 4.37Å; R100-Y171 PolarHBondContact N-O 2.97Å; R100-Y171 PolarHBondContact O-N 3.03Å
101	P	86.8	Confident	85.2	Confident	34 Å²	34	35.7 Å²	35.7	22%	0.221	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	150.9	175.3	-26.1	32.4	0	0	0	112.8	M103 H104 A169	P101-M103 HydrophobicContact CB-CG 4.36Å; P101-M103 PolarHBondContact O-N 3.28Å; P101-M103 VanDerWaalsContact O-N 3.11Å; P101-H104 PolarHBondContact O-N 2.98Å; P101-H104 VanDerWaalsContact O-N 3.08Å; P101-A169 WeakPolarHBondContact CA-O 3.42Å
102	F	78.9	Confident	86.6	Confident	39 Å²	39	34 Å²	34	17%	0.171	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-21.4	177.7	-69.4	-29.1	0	0	0	115	H104 R159 C160 A169 G170 Y171 R311	F102-H104 PolarHBondContact O-N 3.39Å; F102-H104 VanDerWaalsContact O-N 3.11Å; F102-R159 HydrophobicContact CD1-CG 4.29Å; F102-R159 HydrophobicContact CE1-CB 4.47Å; F102-R159 HydrophobicContact CE1-CG 3.25Å; F102-R159 HydrophobicContact CZ-CG 3.55Å; F102-C160 WeakPolarHBondContact CZ-O 3.19Å; F102-A169 HydrophobicContact CD2-CB 3.63Å; F102-A169 HydrophobicContact CE2-CB 3.39Å; F102-A169 HydrophobicContact CZ-CB 4.14Å; F102-A169 PolarHBondContact N-O 2.85Å; F102-G170 VanDerWaalsContact CD1-CA 3.44Å; F102-G170 VanDerWaalsContact CE1-O 3.27Å; F102-G170 WeakPolarHBondContact CE1-O 3.48Å; F102-Y171 HydrophobicContact CD1-CE2 4.24Å; F102-R311 PolarHBondContact O-NH1 3.2Å; F102-R311 VanDerWaalsContact O-NH1 3.11Å; F102-R311 PolarHBondContact O-NH2 3.3Å
103	M	67	Low	87.2	Confident	161 Å²	161	26.2 Å²	26.2	79%	0.793	13%	0.127	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-15.9	176.1	-36.1	-166.9	-55.7	0	0	112.5	P101	P101-M103 HydrophobicContact CB-CG 4.36Å; P101-M103 PolarHBondContact O-N 3.28Å; P101-M103 VanDerWaalsContact O-N 3.11Å
104	H	67.8	Low	87.2	Confident	77 Å²	77	25.4 Å²	25.4	36%	0.356	13%	0.125	S	C	.	.	S	Bend	trans	-102.7	142.8	174.3	-57	-70.5	0	0	0	110.2	P101 F102 R311	P101-H104 PolarHBondContact O-N 2.98Å; P101-H104 VanDerWaalsContact O-N 3.08Å; F102-H104 PolarHBondContact O-N 3.39Å; F102-H104 VanDerWaalsContact O-N 3.11Å; H104-R311 PolarHBondContact O-NH1 3.49Å
105	D	77.3	Confident	87	Confident	14 Å²	14	27.4 Å²	27.4	8%	0.075	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-46	157.4	171.7	-74.1	-38.9	0	0	0	113.6	P107 S290 T292 R308	D105-P107 WeakPolarHBondContact O-CD 3.39Å; D105-P107 VanDerWaalsContact O-N 3.08Å; D105-S290 PolarHBondContact OD2-OG 3.35Å; D105-T292 WeakPolarHBondContact OD2-CB 3.3Å; D105-T292 PolarHBondContact OD2-OG1 3.01Å; D105-R308 HydrophobicContact CB-CG 3.92Å
106	V	84.8	Confident	87	Confident	5 Å²	5	26.5 Å²	26.5	3%	0.03	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-52.5	121.4	169	171.2	0	0	0	0	108.2	M157 Y171 M303 I304	V106-M157 HydrophobicContact CG1-CE 3.96Å; V106-Y171 HydrophobicContact CG2-CE1 4.07Å; V106-Y171 HydrophobicContact CG2-CE2 4.28Å; V106-Y171 WeakPolarHBondContact CG2-OH 3.28Å; V106-M303 HydrophobicContact CG1-CE 4.05Å; V106-I304 HydrophobicContact CG1-CD1 4.18Å
107	P	88.1	Confident	86.9	Confident	3 Å²	3	27.6 Å²	27.6	2%	0.019	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-76.2	141.5	-171.5	30.8	-36.3	0	0	0	110.9	R100 D105 E111 L112 M157	R100-P107 HydrophobicContact CG-CB 4.38Å; R100-P107 HydrophobicContact CG-CG 4.25Å; D105-P107 WeakPolarHBondContact O-CD 3.39Å; D105-P107 VanDerWaalsContact O-N 3.08Å; P107-E111 VanDerWaalsContact CA-OE2 3.24Å; P107-E111 WeakPolarHBondContact CA-OE2 3.43Å; P107-L112 HydrophobicContact CB-CD1 4.21Å; P107-L112 HydrophobicContact CB-CD2 3.78Å; P107-L112 HydrophobicContact CB-CG 3.87Å; P107-L112 HydrophobicContact CG-CD1 4.1Å; P107-L112 HydrophobicContact CG-CD2 3.75Å; P107-L112 HydrophobicContact CG-CG 4.13Å; P107-M157 HydrophobicContact CG-SD 4.19Å
108	T	88.1	Confident	86.6	Confident	4 Å²	4	31.9 Å²	31.9	3%	0.025	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-77.8	155.7	171.4	69.9	0	0	0	0	110.7	A110 E111 L112 I304	T108-A110 PolarHBondContact O-N 2.94Å; T108-E111 PolarHBondContact N-OE2 3.27Å; T108-E111 PolarHBondContact O-N 2.85Å; T108-E111 VanDerWaalsContact O-N 3.07Å; T108-E111 VanDerWaalsContact OG1-CG 3.29Å; T108-E111 WeakPolarHBondContact OG1-CG 3.41Å; T108-E111 PolarHBondContact OG1-N 3Å; T108-E111 VanDerWaalsContact OG1-N 3.17Å; T108-L112 WeakPolarHBondContact O-CD1 3.39Å; T108-L112 VanDerWaalsContact O-CG 3.29Å; T108-L112 WeakPolarHBondContact O-CG 3.06Å; T108-L112 PolarHBondContact O-N 3.23Å; T108-I304 HydrophobicContact CG2-CD1 3.79Å; T108-I304 HydrophobicContact CG2-CG1 4.17Å
109	A	91.6	Very high	86.2	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-51.5	-39.8	171.6	0	0	0	0	0	112.1	R43 F44 L112 V113	R43-A109 HydrophobicContact CB-CB 3.78Å; F44-A109 HydrophobicContact CB-CB 4.4Å; F44-A109 HydrophobicContact CD1-CB 3.89Å; F44-A109 HydrophobicContact CD2-CB 3.53Å; F44-A109 HydrophobicContact CE1-CB 3.97Å; F44-A109 HydrophobicContact CE2-CB 3.6Å; F44-A109 HydrophobicContact CG-CB 3.67Å; F44-A109 HydrophobicContact CZ-CB 3.84Å; A109-L112 PolarHBondContact O-N 3.23Å; A109-V113 WeakPolarHBondContact O-CB 3.25Å; A109-V113 WeakPolarHBondContact O-CG2 3.46Å; A109-V113 PolarHBondContact O-N 3.47Å
110	A	87.3	Confident	85.6	Confident	3 Å²	3	31 Å²	31	3%	0.025	15%	0.151	C	C	.	.	H	α-helix	trans	-66.6	-38.8	178.7	0	0	0	0	0	112.9	T108 L112 E114 R367	T108-A110 PolarHBondContact O-N 2.94Å; A110-L112 VanDerWaalsContact C-N 3.35Å; A110-E114 VanDerWaalsContact O-CB 3.23Å; A110-E114 WeakPolarHBondContact O-CB 3.43Å; A110-E114 PolarHBondContact O-N 2.83Å; A110-R367 HydrophobicContact CB-CB 4.14Å; A110-R367 WeakPolarHBondContact CB-O 3.33Å; A110-R367 PolarHBondContact O-NH1 2.94Å
111	E	87.6	Confident	85.1	Confident	19 Å²	19	34.6 Å²	34.6	9%	0.089	17%	0.168	C	C	.	.	H	α-helix	trans	-65.8	-37.4	174.7	-72.5	162.3	179	0	0	112.2	P107 T108 H115 R308	P107-E111 VanDerWaalsContact CA-OE2 3.24Å; P107-E111 WeakPolarHBondContact CA-OE2 3.43Å; T108-E111 PolarHBondContact N-OE2 3.27Å; T108-E111 PolarHBondContact O-N 2.85Å; T108-E111 VanDerWaalsContact O-N 3.07Å; T108-E111 VanDerWaalsContact OG1-CG 3.29Å; T108-E111 WeakPolarHBondContact OG1-CG 3.41Å; T108-E111 PolarHBondContact OG1-N 3Å; T108-E111 VanDerWaalsContact OG1-N 3.17Å; E111-H115 PolarHBondContact O-N 3.49Å; E111-H115 VanDerWaalsContact O-N 3.14Å; E111-R308 IonicContact OE1-NH2 3.15Å; E111-R308 PolarHBondContact OE1-NH2 3.25Å; E111-R308 IonicContact OE2-NH2 3.26Å
112	L	93.2	Very high	84.8	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-69.9	-45.3	178.7	-64.9	162.4	0	0	0	111.2	F36 F44 V98 P107 T108 A109 A110 H115 F116 V173	F36-L112 HydrophobicContact CE1-CD1 4.27Å; F36-L112 HydrophobicContact CZ-CD1 3.92Å; F44-L112 HydrophobicContact CE1-CB 4.24Å; F44-L112 HydrophobicContact CE1-CD1 4.27Å; F44-L112 HydrophobicContact CZ-CD1 3.72Å; V98-L112 HydrophobicContact CG1-CD2 3.41Å; V98-L112 VanDerWaalsContact CG1-CD2 3.41Å; P107-L112 HydrophobicContact CB-CD1 4.21Å; P107-L112 HydrophobicContact CB-CD2 3.78Å; P107-L112 HydrophobicContact CB-CG 3.87Å; P107-L112 HydrophobicContact CG-CD1 4.1Å; P107-L112 HydrophobicContact CG-CD2 3.75Å; P107-L112 HydrophobicContact CG-CG 4.13Å; T108-L112 WeakPolarHBondContact O-CD1 3.39Å; T108-L112 VanDerWaalsContact O-CG 3.29Å; T108-L112 WeakPolarHBondContact O-CG 3.06Å; T108-L112 PolarHBondContact O-N 3.23Å; A109-L112 PolarHBondContact O-N 3.23Å; A110-L112 VanDerWaalsContact C-N 3.35Å; L112-H115 WeakPolarHBondContact O-CB 3.41Å; L112-H115 PolarHBondContact O-N 2.82Å; L112-F116 VanDerWaalsContact O-CD2 3.32Å; L112-F116 WeakPolarHBondContact O-CD2 3.2Å; L112-F116 PolarHBondContact O-N 3.07Å; L112-V173 HydrophobicContact CD1-CG1 3.96Å; L112-V173 HydrophobicContact CD1-CG2 4.04Å; L112-V173 HydrophobicContact CD2-CB 4.1Å; L112-V173 HydrophobicContact CD2-CG1 4.24Å; L112-V173 HydrophobicContact CD2-CG2 3.68Å
113	V	93.4	Very high	85.2	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-71.3	-38.2	179.8	-179	0	0	0	0	112.1	F44 A47 F48 F51 A109 H115 F116 Y117 F145	F44-V113 HydrophobicContact CD1-CG2 3.74Å; F44-V113 HydrophobicContact CE1-CG2 4.09Å; A47-V113 HydrophobicContact CB-CB 3.85Å; A47-V113 HydrophobicContact CB-CG1 4.05Å; A47-V113 HydrophobicContact CB-CG2 3.95Å; F48-V113 HydrophobicContact CD2-CB 4.36Å; F48-V113 HydrophobicContact CD2-CG1 3.93Å; F48-V113 HydrophobicContact CD2-CG2 3.39Å; F48-V113 HydrophobicContact CE2-CB 4.46Å; F48-V113 HydrophobicContact CE2-CG1 4.26Å; F48-V113 HydrophobicContact CE2-CG2 3.39Å; F48-V113 HydrophobicContact CG-CG1 4.24Å; F48-V113 HydrophobicContact CG-CG2 4.44Å; F48-V113 HydrophobicContact CZ-CG2 4.44Å; F51-V113 HydrophobicContact CB-CG1 4.37Å; F51-V113 HydrophobicContact CD2-CB 4.35Å; F51-V113 HydrophobicContact CD2-CG1 3.74Å; F51-V113 HydrophobicContact CG-CG1 4.42Å; A109-V113 WeakPolarHBondContact O-CB 3.25Å; A109-V113 WeakPolarHBondContact O-CG2 3.46Å; A109-V113 PolarHBondContact O-N 3.47Å; V113-H115 VanDerWaalsContact C-N 3.26Å; V113-H115 PolarHBondContact O-N 3Å; V113-F116 PolarHBondContact O-N 2.87Å; V113-Y117 PolarHBondContact O-N 2.88Å; V113-Y117 VanDerWaalsContact O-N 3.14Å; V113-F145 HydrophobicContact CG1-CD2 4.4Å; V113-F145 HydrophobicContact CG1-CE2 3.68Å; V113-F145 HydrophobicContact CG1-CZ 4.49Å
114	E	89.6	Confident	86.4	Confident	30 Å²	30	28.5 Å²	28.5	14%	0.14	15%	0.153	C	C	.	.	H	α-helix	trans	-58.3	-42.5	172	-179.6	-179.5	-122.5	0	0	111.1	F51 A110 F116 Y117 M118 S365 R367	F51-E114 HydrophobicContact CE1-CB 4.15Å; F51-E114 HydrophobicContact CE1-CG 4.04Å; F51-E114 HydrophobicContact CE2-CB 3.89Å; F51-E114 HydrophobicContact CZ-CB 3.52Å; F51-E114 HydrophobicContact CZ-CG 3.8Å; A110-E114 VanDerWaalsContact O-CB 3.23Å; A110-E114 WeakPolarHBondContact O-CB 3.43Å; A110-E114 PolarHBondContact O-N 2.83Å; E114-F116 VanDerWaalsContact C-N 3.33Å; E114-F116 PolarHBondContact O-N 2.88Å; E114-Y117 PolarHBondContact O-N 2.83Å; E114-Y117 VanDerWaalsContact O-N 3.09Å; E114-M118 HydrophobicContact CG-CG 3.79Å; E114-M118 HydrophobicContact CG-SD 3.54Å; E114-M118 VanDerWaalsContact CG-SD 3.54Å; E114-M118 WeakPolarHBondContact O-CB 3.44Å; E114-M118 WeakPolarHBondContact O-CG 3.42Å; E114-M118 PolarHBondContact O-N 2.91Å; E114-S365 WeakPolarHBondContact OE1-CB 3.42Å; E114-S365 PolarHBondContact OE1-OG 3.44Å; E114-R367 VanDerWaalsContact CD-NH1 3.28Å; E114-R367 IonicContact OE1-NH1 3.7Å; E114-R367 IonicContact OE2-CZ 2.74Å; E114-R367 IonicContact OE2-NH1 3.53Å; E114-R367 PolarHBondContact OE2-NH1 2.85Å; E114-R367 IonicContact OE2-NH2 3.48Å; E114-R367 PolarHBondContact OE2-NH2 2.85Å
115	H	90.8	Very high	87.5	Confident	43 Å²	43	27.8 Å²	27.8	20%	0.199	15%	0.151	C	C	.	.	H	α-helix	trans	-55	-49.7	177	-178.2	93.1	0	0	0	111	E111 L112 V113 Y117 M118 S119 E138	E111-H115 PolarHBondContact O-N 3.49Å; E111-H115 VanDerWaalsContact O-N 3.14Å; L112-H115 WeakPolarHBondContact O-CB 3.41Å; L112-H115 PolarHBondContact O-N 2.82Å; V113-H115 VanDerWaalsContact C-N 3.26Å; V113-H115 PolarHBondContact O-N 3Å; H115-Y117 VanDerWaalsContact C-N 3.26Å; H115-Y117 PolarHBondContact O-N 3.09Å; H115-M118 PolarHBondContact O-N 2.65Å; H115-S119 VanDerWaalsContact O-CB 3.31Å; H115-S119 WeakPolarHBondContact O-CB 3.35Å; H115-S119 PolarHBondContact O-N 2.76Å; H115-S119 PolarHBondContact O-OG 2.81Å; H115-E138 IonicContact CD2-OE2 3.78Å; H115-E138 IonicContact CE1-OE1 2.71Å; H115-E138 IonicContact NE2-OE1 3.07Å; H115-E138 PolarHBondContact NE2-OE1 2.81Å; H115-E138 IonicContact NE2-OE2 3Å; H115-E138 PolarHBondContact NE2-OE2 3.39Å; H115-E138 VanDerWaalsContact NE2-OE2 3.15Å
116	F	93.1	Very high	88.1	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-58.4	-36.9	177.5	-60	-44.2	0	0	0	113.1	F48 V96 V98 L112 V113 E114 N141 F142 F145	F48-F116 HydrophobicContact CZ-CD2 4.31Å; V96-F116 HydrophobicContact CB-CD1 4.22Å; V96-F116 HydrophobicContact CB-CE1 3.92Å; V96-F116 HydrophobicContact CB-CE2 4.25Å; V96-F116 HydrophobicContact CB-CZ 3.95Å; V96-F116 HydrophobicContact CG2-CD1 4.46Å; V96-F116 HydrophobicContact CG2-CD2 3.93Å; V96-F116 HydrophobicContact CG2-CE1 4.07Å; V96-F116 HydrophobicContact CG2-CE2 3.5Å; V96-F116 HydrophobicContact CG2-CG 4.41Å; V96-F116 HydrophobicContact CG2-CZ 3.58Å; V98-F116 HydrophobicContact CB-CE1 3.78Å; V98-F116 HydrophobicContact CB-CZ 4.13Å; V98-F116 HydrophobicContact CG1-CE1 3.96Å; V98-F116 HydrophobicContact CG1-CZ 3.78Å; L112-F116 VanDerWaalsContact O-CD2 3.32Å; L112-F116 WeakPolarHBondContact O-CD2 3.2Å; L112-F116 PolarHBondContact O-N 3.07Å; V113-F116 PolarHBondContact O-N 2.87Å; E114-F116 VanDerWaalsContact C-N 3.33Å; E114-F116 PolarHBondContact O-N 2.88Å; F116-N141 HydrophobicContact CD1-CB 4.21Å; F116-F142 WeakPolarHBondContact O-CD2 3.3Å; F116-F145 HydrophobicContact CB-CB 4.08Å; F116-F145 HydrophobicContact CB-CD2 4.04Å; F116-F145 HydrophobicContact CB-CG 4Å
117	Y	91.5	Very high	88.4	Confident	22 Å²	22	38.4 Å²	38.4	9%	0.086	20%	0.198	C	C	.	.	H	α-helix	trans	-71.6	-49.6	176.8	174.7	-98	0	0	0	112.2	F51 R54 L55 V113 E114 H115 K121 F145	F51-Y117 HydrophobicContact CB-CD2 4.14Å; F51-Y117 HydrophobicContact CB-CG 4.16Å; F51-Y117 AromaticContact CD1-CD1 3.69Å; F51-Y117 HydrophobicContact CD1-CD1 3.69Å; F51-Y117 HydrophobicContact CD1-CD2 4.24Å; F51-Y117 HydrophobicContact CD1-CE1 4.33Å; F51-Y117 AromaticContact CD1-CG 3.65Å; F51-Y117 HydrophobicContact CD1-CG 3.65Å; F51-Y117 HydrophobicContact CE1-CD1 4.14Å; F51-Y117 HydrophobicContact CE1-CG 4.47Å; F51-Y117 HydrophobicContact CG-CG 4.25Å; R54-Y117 HydrophobicContact CB-CE2 4.26Å; L55-Y117 HydrophobicContact CD2-CD2 4.25Å; L55-Y117 HydrophobicContact CD2-CE2 3.73Å; L55-Y117 HydrophobicContact CG-CE2 4.27Å; V113-Y117 PolarHBondContact O-N 2.88Å; V113-Y117 VanDerWaalsContact O-N 3.14Å; E114-Y117 PolarHBondContact O-N 2.83Å; E114-Y117 VanDerWaalsContact O-N 3.09Å; H115-Y117 VanDerWaalsContact C-N 3.26Å; H115-Y117 PolarHBondContact O-N 3.09Å; Y117-K121 HydrophobicContact CE1-CD 4.19Å; Y117-K121 WeakPolarHBondContact O-CB 3.41Å; Y117-K121 PolarHBondContact O-N 2.65Å; Y117-K121 PolarHBondContact OH-NZ 2.73Å; Y117-F145 HydrophobicContact CD2-CE1 4.1Å
118	M	87	Confident	88.6	Confident	113 Å²	113	44.8 Å²	44.8	56%	0.557	23%	0.228	S	C	*	.	H	α-helix	trans	-71.7	-45.8	-173.6	-72.5	-172	68.9	0	0	112.5	E114 H115 G120 K121 G122	E114-M118 HydrophobicContact CG-CG 3.79Å; E114-M118 HydrophobicContact CG-SD 3.54Å; E114-M118 VanDerWaalsContact CG-SD 3.54Å; E114-M118 WeakPolarHBondContact O-CB 3.44Å; E114-M118 WeakPolarHBondContact O-CG 3.42Å; E114-M118 PolarHBondContact O-N 2.91Å; H115-M118 PolarHBondContact O-N 2.65Å; M118-G120 PolarHBondContact O-N 2.51Å; M118-K121 PolarHBondContact O-N 2.82Å; M118-G122 PolarHBondContact O-N 3.41Å
119	S	84.6	Confident	88.7	Confident	19 Å²	19	46.6 Å²	46.6	13%	0.133	24%	0.237	C	C	.	.	H	α-helix	trans	-60.6	-42.1	179	71.3	0	0	0	0	110.1	H115 G122 N123 E138	H115-S119 VanDerWaalsContact O-CB 3.31Å; H115-S119 WeakPolarHBondContact O-CB 3.35Å; H115-S119 PolarHBondContact O-N 2.76Å; H115-S119 PolarHBondContact O-OG 2.81Å; S119-G122 PolarHBondContact O-N 2.79Å; S119-N123 WeakPolarHBondContact O-CB 3.4Å; S119-N123 PolarHBondContact O-N 2.86Å; S119-N123 PolarHBondContact O-ND2 3.37Å; S119-E138 WeakPolarHBondContact CB-OE2 3.25Å; S119-E138 PolarHBondContact OG-OE2 2.79Å
120	G	79.5	Confident	88.7	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-63.7	-47.7	176.6	0	0	0	0	0	116.4	M118 G122 N123 Y124 F142	M118-G120 PolarHBondContact O-N 2.51Å; G120-G122 PolarHBondContact O-N 2.71Å; G120-N123 PolarHBondContact O-N 2.84Å; G120-Y124 WeakPolarHBondContact O-CB 3.24Å; G120-Y124 PolarHBondContact O-N 2.96Å; G120-F142 VanDerWaalsContact CA-CD2 3.44Å
121	K	78.3	Confident	88.8	Confident	140 Å²	140	51.8 Å²	51.8	61%	0.609	27%	0.269	S	S	*	.	H	α-helix	trans	-59.6	-29.8	-179.3	-170.7	176.4	-176.7	177	0	112.4	Y117 M118	Y117-K121 HydrophobicContact CE1-CD 4.19Å; Y117-K121 WeakPolarHBondContact O-CB 3.41Å; Y117-K121 PolarHBondContact O-N 2.65Å; Y117-K121 PolarHBondContact OH-NZ 2.73Å; M118-K121 PolarHBondContact O-N 2.82Å
122	G	81.9	Confident	88.6	Confident	64 Å²	64	52.8 Å²	52.8	66%	0.66	28%	0.275	S	S	*	.	H	α-helix	trans	-80.9	-21.7	173.8	0	0	0	0	0	114.7	M118 S119 G120	M118-G122 PolarHBondContact O-N 3.41Å; S119-G122 PolarHBondContact O-N 2.79Å; G120-G122 PolarHBondContact O-N 2.71Å
123	N	86.4	Confident	88	Confident	23 Å²	23	60.4 Å²	60.4	12%	0.123	32%	0.316	C	S	.	.	H	α-helix	trans	-113.4	-6.4	-167.6	-69	-31.8	0	0	0	114.2	S119 G120 C131 N132 C139	S119-N123 WeakPolarHBondContact O-CB 3.4Å; S119-N123 PolarHBondContact O-N 2.86Å; S119-N123 PolarHBondContact O-ND2 3.37Å; G120-N123 PolarHBondContact O-N 2.84Å; N123-C131 CarbonylContact O-C 3.46Å; N123-C131 WeakPolarHBondContact O-CA 3.15Å; N123-N132 WeakPolarHBondContact CB-OD1 3.39Å; N123-N132 PolarHBondContact O-N 3.19Å; N123-N132 PolarHBondContact O-OD1 2.84Å; N123-N132 PolarHBondContact OD1-ND2 3.16Å; N123-N132 PolarHBondContact OD1-OD1 3.3Å; N123-C139 HydrophobicContact CB-CB 4.45Å
124	Y	91.7	Very high	87.5	Confident	20 Å²	20	68 Å²	68	8%	0.078	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	123.3	-177	179.1	-112.1	0	0	0	112.7	G120 Y126 N129 V130 F142 K143 P186 P187	G120-Y124 WeakPolarHBondContact O-CB 3.24Å; G120-Y124 PolarHBondContact O-N 2.96Å; Y124-Y126 HydrophobicContact CE1-CD2 4.17Å; Y124-N129 PolarHBondContact OH-OD1 3.09Å; Y124-V130 WeakPolarHBondContact CD2-O 3.45Å; Y124-F142 AromaticContact CD1-CD1 3.83Å; Y124-F142 HydrophobicContact CD1-CD1 3.83Å; Y124-F142 AromaticContact CD1-CE1 3.55Å; Y124-F142 HydrophobicContact CD1-CE1 3.55Å; Y124-F142 HydrophobicContact CE1-CE1 4.29Å; Y124-F142 HydrophobicContact CG-CD1 4.07Å; Y124-F142 HydrophobicContact CG-CE1 4.23Å; Y124-K143 HydrophobicContact CD2-CD 4.18Å; Y124-K143 HydrophobicContact CD2-CG 4.25Å; Y124-K143 HydrophobicContact CE2-CD 3.85Å; Y124-K143 HydrophobicContact CE2-CG 4.19Å; Y124-P186 WeakPolarHBondContact OH-CA 3.36Å; Y124-P187 HydrophobicContact CE1-CG 4.09Å; Y124-P187 WeakPolarHBondContact OH-CD 3.47Å
125	N	91.1	Very high	87.2	Confident	62 Å²	62	70 Å²	70	33%	0.332	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	114.7	169.1	-174.5	-17.3	0	0	0	109.7	E127 E128 N129 V130	N125-E127 PolarHBondContact OD1-N 3.11Å; N125-E128 HydrophobicContact CB-CB 4.45Å; N125-E128 VanDerWaalsContact ND2-CD 3.31Å; N125-E128 WeakPolarHBondContact ND2-CG 3.34Å; N125-E128 PolarHBondContact ND2-OE2 3.28Å; N125-E128 PolarHBondContact OD1-N 3.13Å; N125-N129 WeakPolarHBondContact O-CA 3.39Å; N125-N129 PolarHBondContact O-N 2.76Å; N125-V130 PolarHBondContact N-O 2.93Å; N125-V130 PolarHBondContact O-N 3.39Å
126	Y	91.2	Very high	86.9	Confident	61 Å²	61	72.1 Å²	72.1	24%	0.239	38%	0.38	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-43	179.5	-179.2	-90.4	0	0	0	113.2	Y124 E128 N129 P186 Y188 P190	Y124-Y126 HydrophobicContact CE1-CD2 4.17Å; Y126-E128 PolarHBondContact O-N 3.5Å; Y126-N129 PolarHBondContact O-N 3.06Å; Y126-P186 HydrophobicContact CD2-CB 4.45Å; Y126-P186 HydrophobicContact CE2-CB 3.84Å; Y126-Y188 HydrophobicContact CD2-CD2 4.3Å; Y126-Y188 HydrophobicContact CD2-CE1 4.41Å; Y126-Y188 AromaticContact CD2-CE2 3.61Å; Y126-Y188 HydrophobicContact CD2-CE2 3.61Å; Y126-Y188 AromaticContact CD2-CZ 3.67Å; Y126-Y188 AromaticContact CE2-CD2 3.53Å; Y126-Y188 HydrophobicContact CE2-CD2 3.53Å; Y126-Y188 HydrophobicContact CE2-CE1 4.45Å; Y126-Y188 AromaticContact CE2-CE2 3.26Å; Y126-Y188 HydrophobicContact CE2-CE2 3.26Å; Y126-Y188 HydrophobicContact CE2-CG 4.25Å; Y126-Y188 AromaticContact CE2-CZ 3.77Å; Y126-Y188 WeakPolarHBondContact CE2-O 3.08Å; Y126-Y188 AromaticContact CZ-CE2 3.98Å; Y126-Y188 PolarHBondContact OH-O 2.91Å; Y126-P190 HydrophobicContact CE1-CB 4.44Å; Y126-P190 WeakPolarHBondContact OH-CA 3.23Å; Y126-P190 WeakPolarHBondContact OH-CD 3.42Å
127	E	90.6	Very high	86.5	Confident	181 Å²	181	73.9 Å²	73.9	85%	0.846	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-42	-173.7	-64.2	-176.3	173.8	0	0	111.4	N125	N125-E127 PolarHBondContact OD1-N 3.11Å
128	E	91.2	Very high	86.4	Confident	137 Å²	137	74.4 Å²	74.4	64%	0.64	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-14.8	178.5	-62	179.4	156.3	0	0	112.4	N125 Y126 V130	N125-E128 HydrophobicContact CB-CB 4.45Å; N125-E128 VanDerWaalsContact ND2-CD 3.31Å; N125-E128 WeakPolarHBondContact ND2-CG 3.34Å; N125-E128 PolarHBondContact ND2-OE2 3.28Å; N125-E128 PolarHBondContact OD1-N 3.13Å; Y126-E128 PolarHBondContact O-N 3.5Å; E128-V130 VanDerWaalsContact C-N 3.29Å; E128-V130 HydrophobicContact CB-CB 4.34Å; E128-V130 HydrophobicContact CB-CG2 3.93Å; E128-V130 PolarHBondContact O-N 2.97Å
129	N	91.4	Very high	86.6	Confident	42 Å²	42	69 Å²	69	23%	0.225	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.9	43.9	-171.4	-178.2	43.8	0	0	0	112.7	Y124 N125 Y126 K143 R184 H185 P186	Y124-N129 PolarHBondContact OH-OD1 3.09Å; N125-N129 WeakPolarHBondContact O-CA 3.39Å; N125-N129 PolarHBondContact O-N 2.76Å; Y126-N129 PolarHBondContact O-N 3.06Å; N129-K143 PolarHBondContact OD1-NZ 2.85Å; N129-R184 PolarHBondContact ND2-O 2.97Å; N129-H185 PolarHBondContact OD1-O 2.01Å; N129-P186 HydrophobicContact CB-CG 4.27Å
130	V	91	Very high	86.8	Confident	77 Å²	77	69.8 Å²	69.8	47%	0.467	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	137.9	-178.1	175.3	0	0	0	0	110.2	Y124 N125 E128	Y124-V130 WeakPolarHBondContact CD2-O 3.45Å; N125-V130 PolarHBondContact N-O 2.93Å; N125-V130 PolarHBondContact O-N 3.39Å; E128-V130 VanDerWaalsContact C-N 3.29Å; E128-V130 HydrophobicContact CB-CB 4.34Å; E128-V130 HydrophobicContact CB-CG2 3.93Å; E128-V130 PolarHBondContact O-N 2.97Å
131	C	88.9	Confident	87.5	Confident	34 Å²	34	70.2 Å²	70.2	23%	0.23	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	145.3	167.5	-67.6	0	0	0	0	109.3	N123 C139	N123-C131 CarbonylContact O-C 3.46Å; N123-C131 WeakPolarHBondContact O-CA 3.15Å; C131-C139 WeakPolarHBondContact CA-SG 3.45Å; C131-C139 HydrophobicContact CB-CB 3.5Å; C131-C139 VanDerWaalsContact CB-CB 3.5Å; C131-C139 WeakPolarHBondContact CB-SG 3.44Å; C131-C139 WeakPolarHBondContact SG-CB 3.24Å; C131-C139 CovalentContact SG-SG 2.02Å; C131-C139 PolarHBondContact SG-SG 3.14Å
132	N	84.5	Confident	88.2	Confident	41 Å²	41	63.9 Å²	63.9	22%	0.219	35%	0.352	C	S	.	.			trans	-67.5	146	165.7	73.1	-12.7	0	0	0	110.7	N123 E134	N123-N132 WeakPolarHBondContact CB-OD1 3.39Å; N123-N132 PolarHBondContact O-N 3.19Å; N123-N132 PolarHBondContact O-OD1 2.84Å; N123-N132 PolarHBondContact OD1-ND2 3.16Å; N123-N132 PolarHBondContact OD1-OD1 3.3Å; N132-E134 PolarHBondContact O-N 3.01Å
133	D	80.7	Confident	88.8	Confident	159 Å²	159	60.9 Å²	60.9	85%	0.85	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-11.7	-179.7	-65	-37.3	0	0	0	112.4
134	E	82.6	Confident	89.2	Confident	159 Å²	159	60.3 Å²	60.3	74%	0.743	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-37.6	-178.3	-63.8	-175.8	172.1	0	0	112.6	N132	N132-E134 PolarHBondContact O-N 3.01Å
135	N	83.4	Confident	89.4	Confident	74 Å²	74	59.3 Å²	59.3	40%	0.396	31%	0.313	S	S	.	.			trans	-142	67.9	-176	-68	-61.6	0	0	0	112.1	S137 E138 C139	N135-S137 VanDerWaalsContact C-N 3.26Å; N135-S137 PolarHBondContact O-N 3.37Å; N135-E138 HydrophobicContact CB-CB 4.04Å; N135-E138 HydrophobicContact CB-CG 4.13Å; N135-E138 PolarHBondContact O-N 3.42Å; N135-E138 VanDerWaalsContact O-N 3.08Å; N135-C139 PolarHBondContact O-N 3.38Å
136	P	83.9	Confident	89.6	Confident	86 Å²	86	56.4 Å²	56.4	56%	0.558	30%	0.298	S	S	*	.	H	α-helix	trans	-58.9	-34.3	-175.6	22.5	-33.7	0	0	0	113.4	C139 A140	P136-C139 PolarHBondContact O-N 2.66Å; P136-A140 WeakPolarHBondContact O-CB 3.45Å; P136-A140 PolarHBondContact O-N 2.94Å
137	S	85.8	Confident	89.9	Confident	37 Å²	37	55 Å²	55	26%	0.259	29%	0.292	S	S	.	.	H	α-helix	trans	-65	-39.7	177.2	64.4	0	0	0	0	112.5	N135 A140 N141	N135-S137 VanDerWaalsContact C-N 3.26Å; N135-S137 PolarHBondContact O-N 3.37Å; S137-A140 PolarHBondContact O-N 2.99Å; S137-N141 WeakPolarHBondContact O-CB 3.46Å; S137-N141 PolarHBondContact O-N 3.48Å; S137-N141 PolarHBondContact O-ND2 2.8Å
138	E	89.1	Confident	90.2	Very high	34 Å²	34	48.6 Å²	48.6	16%	0.159	26%	0.262	C	S	.	.	H	α-helix	trans	-70.3	-36.1	178.7	-67.6	-64.3	168.7	0	0	111.4	H115 S119 N135 N141 F142	H115-E138 IonicContact CD2-OE2 3.78Å; H115-E138 IonicContact CE1-OE1 2.71Å; H115-E138 IonicContact NE2-OE1 3.07Å; H115-E138 PolarHBondContact NE2-OE1 2.81Å; H115-E138 IonicContact NE2-OE2 3Å; H115-E138 PolarHBondContact NE2-OE2 3.39Å; H115-E138 VanDerWaalsContact NE2-OE2 3.15Å; S119-E138 WeakPolarHBondContact CB-OE2 3.25Å; S119-E138 PolarHBondContact OG-OE2 2.79Å; N135-E138 HydrophobicContact CB-CB 4.04Å; N135-E138 HydrophobicContact CB-CG 4.13Å; N135-E138 PolarHBondContact O-N 3.42Å; N135-E138 VanDerWaalsContact O-N 3.08Å; E138-N141 WeakPolarHBondContact O-CB 3.33Å; E138-F142 PolarHBondContact O-N 2.87Å
139	C	90.6	Very high	90.4	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-65.4	-43.6	171.8	-170.8	0	0	0	0	112.2	N123 C131 N135 P136 N141 F142 K143	N123-C139 HydrophobicContact CB-CB 4.45Å; C131-C139 WeakPolarHBondContact CA-SG 3.45Å; C131-C139 HydrophobicContact CB-CB 3.5Å; C131-C139 VanDerWaalsContact CB-CB 3.5Å; C131-C139 WeakPolarHBondContact CB-SG 3.44Å; C131-C139 WeakPolarHBondContact SG-CB 3.24Å; C131-C139 CovalentContact SG-SG 2.02Å; C131-C139 PolarHBondContact SG-SG 3.14Å; N135-C139 PolarHBondContact O-N 3.38Å; P136-C139 PolarHBondContact O-N 2.66Å; C139-N141 PolarHBondContact O-N 3.32Å; C139-F142 PolarHBondContact O-N 3.2Å; C139-K143 PolarHBondContact O-N 3.17Å
140	A	90	Very high	90.5	Very high	35 Å²	35	41 Å²	41	29%	0.289	23%	0.228	S	C	.	.	H	α-helix	trans	-60.7	-45.2	176.2	0	0	0	0	0	111.8	P136 S137 F142 K143 Q144 M183	P136-A140 WeakPolarHBondContact O-CB 3.45Å; P136-A140 PolarHBondContact O-N 2.94Å; S137-A140 PolarHBondContact O-N 2.99Å; A140-F142 VanDerWaalsContact C-N 3.31Å; A140-F142 PolarHBondContact O-N 2.98Å; A140-K143 PolarHBondContact O-N 3.28Å; A140-Q144 PolarHBondContact O-N 3.44Å; A140-M183 HydrophobicContact CB-CE 3.85Å; A140-M183 HydrophobicContact CB-SD 4.36Å
141	N	92.9	Very high	90.7	Very high	9 Å²	9	38.3 Å²	38.3	5%	0.048	21%	0.213	C	C	.	.	H	α-helix	trans	-53.8	-47.7	172.1	-81.7	-25.2	0	0	0	111.5	V96 M97 F116 S137 E138 C139 Q144 F145	V96-N141 WeakPolarHBondContact CA-OD1 3.33Å; V96-N141 WeakPolarHBondContact CG1-O 3.17Å; M97-N141 PolarHBondContact N-OD1 3.48Å; M97-N141 PolarHBondContact O-ND2 2.96Å; M97-N141 PolarHBondContact O-OD1 3.32Å; F116-N141 HydrophobicContact CD1-CB 4.21Å; S137-N141 WeakPolarHBondContact O-CB 3.46Å; S137-N141 PolarHBondContact O-N 3.48Å; S137-N141 PolarHBondContact O-ND2 2.8Å; E138-N141 WeakPolarHBondContact O-CB 3.33Å; C139-N141 PolarHBondContact O-N 3.32Å; N141-Q144 PolarHBondContact O-N 3.17Å; N141-F145 VanDerWaalsContact O-CB 3.26Å; N141-F145 WeakPolarHBondContact O-CB 3.38Å; N141-F145 PolarHBondContact O-N 3.07Å
142	F	93.9	Very high	91.1	Very high	6 Å²	6	39 Å²	39	3%	0.026	21%	0.213	C	C	.	.	H	α-helix	trans	-64.1	-46.1	179.5	179	-103.2	0	0	0	113.2	L55 F116 G120 Y124 E138 C139 A140 Q144 F145 A146	L55-F142 HydrophobicContact CD2-CE2 4.12Å; L55-F142 HydrophobicContact CD2-CZ 3.83Å; F116-F142 WeakPolarHBondContact O-CD2 3.3Å; G120-F142 VanDerWaalsContact CA-CD2 3.44Å; Y124-F142 AromaticContact CD1-CD1 3.83Å; Y124-F142 HydrophobicContact CD1-CD1 3.83Å; Y124-F142 AromaticContact CD1-CE1 3.55Å; Y124-F142 HydrophobicContact CD1-CE1 3.55Å; Y124-F142 HydrophobicContact CE1-CE1 4.29Å; Y124-F142 HydrophobicContact CG-CD1 4.07Å; Y124-F142 HydrophobicContact CG-CE1 4.23Å; E138-F142 PolarHBondContact O-N 2.87Å; C139-F142 PolarHBondContact O-N 3.2Å; A140-F142 VanDerWaalsContact C-N 3.31Å; A140-F142 PolarHBondContact O-N 2.98Å; F142-Q144 PolarHBondContact O-N 2.81Å; F142-F145 HydrophobicContact CD2-CD1 4.15Å; F142-F145 HydrophobicContact CE2-CD1 4.37Å; F142-F145 PolarHBondContact O-N 2.89Å; F142-A146 HydrophobicContact CE1-CB 4.26Å; F142-A146 HydrophobicContact CE2-CB 4.48Å; F142-A146 HydrophobicContact CZ-CB 4.24Å; F142-A146 WeakPolarHBondContact O-CB 3.48Å; F142-A146 PolarHBondContact O-N 3.37Å
143	K	93.9	Very high	91.7	Very high	2 Å²	2	37.1 Å²	37.1	1%	0.009	20%	0.203	C	C	.	.	H	α-helix	trans	-60.1	-37.3	178.5	-72.4	-168.5	65.6	156.9	0	111.2	Y124 N129 C139 A140 W147 M183 H185 P187	Y124-K143 HydrophobicContact CD2-CD 4.18Å; Y124-K143 HydrophobicContact CD2-CG 4.25Å; Y124-K143 HydrophobicContact CE2-CD 3.85Å; Y124-K143 HydrophobicContact CE2-CG 4.19Å; N129-K143 PolarHBondContact OD1-NZ 2.85Å; C139-K143 PolarHBondContact O-N 3.17Å; A140-K143 PolarHBondContact O-N 3.28Å; K143-W147 PolarHBondContact O-N 3.37Å; K143-W147 VanDerWaalsContact O-N 3.12Å; K143-M183 HydrophobicContact CB-SD 4.2Å; K143-M183 HydrophobicContact CD-CE 3.9Å; K143-M183 HydrophobicContact CD-SD 4.15Å; K143-M183 PolarHBondContact NZ-O 2.98Å; K143-H185 VanDerWaalsContact CE-O 3.28Å; K143-H185 WeakPolarHBondContact CE-O 3.39Å; K143-H185 PolarHBondContact NZ-O 2.86Å; K143-P187 WeakPolarHBondContact O-CB 3.44Å
144	Q	94.6	Very high	92.5	Very high	10 Å²	10	29.5 Å²	29.5	5%	0.047	16%	0.162	C	C	.	.	H	α-helix	trans	-72.4	-45.2	174.9	-177.8	60.8	70.8	0	0	112.9	I95 V96 A140 N141 F142 A146 W147 K179 A181	I95-Q144 WeakPolarHBondContact O-CG 3.48Å; V96-Q144 HydrophobicContact CG1-CB 3.67Å; V96-Q144 HydrophobicContact CG1-CG 3.67Å; A140-Q144 PolarHBondContact O-N 3.44Å; N141-Q144 PolarHBondContact O-N 3.17Å; F142-Q144 PolarHBondContact O-N 2.81Å; Q144-A146 VanDerWaalsContact C-N 3.26Å; Q144-A146 PolarHBondContact O-N 2.99Å; Q144-W147 VanDerWaalsContact O-CB 3.29Å; Q144-W147 WeakPolarHBondContact O-CB 3.42Å; Q144-W147 PolarHBondContact O-N 2.61Å; Q144-W147 VanDerWaalsContact O-N 3.13Å; Q144-K179 PolarHBondContact NE2-O 2.88Å; Q144-A181 HydrophobicContact CB-CB 4.2Å
145	F	95.7	Very high	93.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-55.4	-42.4	173.5	160.9	-95.1	0	0	0	111.9	F48 F51 R52 L55 V96 V113 F116 Y117 N141 F142 W147	F48-F145 AromaticContact CD1-CD2 3.68Å; F48-F145 HydrophobicContact CD1-CD2 3.68Å; F48-F145 AromaticContact CD1-CE2 3.74Å; F48-F145 HydrophobicContact CD1-CE2 3.74Å; F48-F145 AromaticContact CE1-CD2 3.42Å; F48-F145 HydrophobicContact CE1-CD2 3.42Å; F48-F145 VanDerWaalsContact CE1-CD2 3.42Å; F48-F145 AromaticContact CE1-CE2 3.97Å; F48-F145 HydrophobicContact CE1-CE2 3.97Å; F48-F145 HydrophobicContact CE1-CG 4.43Å; F48-F145 HydrophobicContact CG-CE2 4.25Å; F48-F145 HydrophobicContact CZ-CD2 4.04Å; F51-F145 HydrophobicContact CB-CE2 4.29Å; F51-F145 HydrophobicContact CB-CZ 3.59Å; R52-F145 HydrophobicContact CG-CE1 4.17Å; R52-F145 HydrophobicContact CG-CE2 4.08Å; R52-F145 HydrophobicContact CG-CZ 3.71Å; R52-F145 PolarHBondContact NH1-O 3.04Å; L55-F145 HydrophobicContact CD1-CE1 4.28Å; V96-F145 HydrophobicContact CG1-CB 4.22Å; V113-F145 HydrophobicContact CG1-CD2 4.4Å; V113-F145 HydrophobicContact CG1-CE2 3.68Å; V113-F145 HydrophobicContact CG1-CZ 4.49Å; F116-F145 HydrophobicContact CB-CB 4.08Å; F116-F145 HydrophobicContact CB-CD2 4.04Å; F116-F145 HydrophobicContact CB-CG 4Å; Y117-F145 HydrophobicContact CD2-CE1 4.1Å; N141-F145 VanDerWaalsContact O-CB 3.26Å; N141-F145 WeakPolarHBondContact O-CB 3.38Å; N141-F145 PolarHBondContact O-N 3.07Å; F142-F145 HydrophobicContact CD2-CD1 4.15Å; F142-F145 HydrophobicContact CE2-CD1 4.37Å; F142-F145 PolarHBondContact O-N 2.89Å; F145-W147 VanDerWaalsContact C-N 3.32Å
146	A	96	Very high	93.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	4	-178	0	0	0	0	0	113.3	L55 M60 F142 Q144 H148 P187 Y188	L55-A146 HydrophobicContact CD1-CB 3.68Å; M60-A146 WeakPolarHBondContact CE-O 3.19Å; F142-A146 HydrophobicContact CE1-CB 4.26Å; F142-A146 HydrophobicContact CE2-CB 4.48Å; F142-A146 HydrophobicContact CZ-CB 4.24Å; F142-A146 WeakPolarHBondContact O-CB 3.48Å; F142-A146 PolarHBondContact O-N 3.37Å; Q144-A146 VanDerWaalsContact C-N 3.26Å; Q144-A146 PolarHBondContact O-N 2.99Å; A146-H148 PolarHBondContact O-N 3.26Å; A146-H148 VanDerWaalsContact O-N 3.12Å; A146-P187 HydrophobicContact CB-CB 4.02Å; A146-P187 HydrophobicContact CB-CG 4.08Å; A146-Y188 HydrophobicContact CB-CD1 3.96Å; A146-Y188 HydrophobicContact CB-CE1 3.93Å
147	W	96.9	Very high	94.6	Very high	32 Å²	32	14.5 Å²	14.5	12%	0.121	8%	0.082	C	C	.	.			trans	-65.4	115.9	-176.5	-170	-115.2	0	0	0	111.1	R52 K143 Q144 F145 A149 G150 K180 A181 S182 P187	R52-W147 PolarHBondContact NH1-O 2.79Å; R52-W147 PolarHBondContact NH2-O 3.11Å; K143-W147 PolarHBondContact O-N 3.37Å; K143-W147 VanDerWaalsContact O-N 3.12Å; Q144-W147 VanDerWaalsContact O-CB 3.29Å; Q144-W147 WeakPolarHBondContact O-CB 3.42Å; Q144-W147 PolarHBondContact O-N 2.61Å; Q144-W147 VanDerWaalsContact O-N 3.13Å; F145-W147 VanDerWaalsContact C-N 3.32Å; W147-A149 PolarHBondContact O-N 3.08Å; W147-A149 VanDerWaalsContact O-N 3.13Å; W147-G150 PolarHBondContact O-N 3.11Å; W147-K180 PolarHBondContact NE1-O 2.79Å; W147-A181 HydrophobicContact CB-CB 3.99Å; W147-A181 VanDerWaalsContact CD2-CA 3.43Å; W147-A181 HydrophobicContact CD2-CB 3.73Å; W147-A181 HydrophobicContact CE3-CB 3.57Å; W147-A181 HydrophobicContact CG-CB 3.9Å; W147-A181 HydrophobicContact CZ3-CB 4.31Å; W147-S182 VanDerWaalsContact CH2-N 3.32Å; W147-S182 VanDerWaalsContact CZ3-N 3.27Å; W147-P187 HydrophobicContact CE3-CB 4.12Å
148	H	97	Very high	95	Very high	47 Å²	47	12.7 Å²	12.7	22%	0.218	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-31.6	-166.3	77.5	90.1	0	0	0	113.6	R52 N59 Q61 A146 P187	R52-H148 PolarHBondContact NH2-O 3.11Å; N59-H148 PolarHBondContact ND2-CE1 3.21Å; N59-H148 VanDerWaalsContact ND2-CG 3.32Å; N59-H148 PolarHBondContact ND2-ND1 3.1Å; N59-H148 VanDerWaalsContact ND2-ND1 3.1Å; N59-H148 VanDerWaalsContact OD1-CB 3.28Å; N59-H148 WeakPolarHBondContact OD1-CB 3.39Å; Q61-H148 WeakPolarHBondContact CB-O 3.39Å; Q61-H148 VanDerWaalsContact CG-O 3.23Å; Q61-H148 WeakPolarHBondContact CG-O 3.35Å; Q61-H148 PolarHBondContact N-O 3.19Å; A146-H148 PolarHBondContact O-N 3.26Å; A146-H148 VanDerWaalsContact O-N 3.12Å; H148-P187 WeakPolarHBondContact CB-O 3.39Å; H148-P187 PolarHBondContact CD2-O 3.14Å; H148-P187 PolarHBondContact N-O 3.42Å
149	A	95.4	Very high	95.2	Very high	19 Å²	19	14.1 Å²	14.1	16%	0.157	7%	0.074	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-9.5	-173.2	0	0	0	0	0	114.2	W147 S151 K179	W147-A149 PolarHBondContact O-N 3.08Å; W147-A149 VanDerWaalsContact O-N 3.13Å; A149-S151 PolarHBondContact O-N 3.34Å; A149-K179 HydrophobicContact CB-CB 4.28Å; A149-K179 HydrophobicContact CB-CG 4.03Å; A149-K179 VanDerWaalsContact O-CG 3.23Å; A149-K179 WeakPolarHBondContact O-CG 3.3Å
150	G	94.7	Very high	95.4	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.			trans	-68.5	126.8	177.4	0	0	0	0	0	111.2	R52 I63 W147	R52-G150 PolarHBondContact NH2-O 2.85Å; I63-G150 WeakPolarHBondContact CD1-O 3.38Å; W147-G150 PolarHBondContact O-N 3.11Å
151	S	94.6	Very high	95.5	Very high	21 Å²	21	16.2 Å²	16.2	15%	0.147	8%	0.078	C	C	.	.			trans	-128.2	-12.7	-177.4	64.5	0	0	0	0	113.7	I63 T64 A149 N178	I63-S151 CarbonylContact C-O 3.58Å; I63-S151 WeakPolarHBondContact CA-O 3.36Å; T64-S151 PolarHBondContact N-O 3.22Å; T64-S151 PolarHBondContact OG1-O 3.29Å; A149-S151 PolarHBondContact O-N 3.34Å; S151-N178 PolarHBondContact N-OD1 2.76Å; S151-N178 VanDerWaalsContact N-OD1 3.09Å; S151-N178 PolarHBondContact OG-ND2 3.41Å
152	E	96.3	Very high	95.4	Very high	49 Å²	49	19.6 Å²	19.6	23%	0.229	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	143.4	-179.5	-63.7	167	-119.6	0	0	109	M65 N67 L70 M177 N178	M65-E152 HydrophobicContact CG-CG 3.84Å; M65-E152 HydrophobicContact SD-CG 4.28Å; N67-E152 HydrophobicContact CB-CB 4.21Å; N67-E152 PolarHBondContact ND2-OE2 2.89Å; L70-E152 HydrophobicContact CD1-CB 4.05Å; E152-M177 WeakPolarHBondContact O-CA 3.49Å; E152-N178 HydrophobicContact CB-CB 4.04Å; E152-N178 PolarHBondContact N-OD1 2.92Å; E152-N178 PolarHBondContact O-N 3.17Å; E152-N178 PolarHBondContact OE1-ND2 2.99Å
153	I	97.6	Very high	95.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	147.9	179.9	-166.4	171.3	0	0	0	110.8	V45 F48 I63 M65 W66 N67 C175 A176 M177	V45-I153 HydrophobicContact CG2-CG2 4.05Å; F48-I153 HydrophobicContact CD1-CD1 4.02Å; F48-I153 HydrophobicContact CD2-CD1 3.46Å; F48-I153 VanDerWaalsContact CD2-CD1 3.46Å; F48-I153 HydrophobicContact CE1-CD1 3.69Å; F48-I153 HydrophobicContact CE2-CD1 3.08Å; F48-I153 HydrophobicContact CG-CD1 3.93Å; F48-I153 HydrophobicContact CZ-CD1 3.23Å; I63-I153 HydrophobicContact CG2-CB 4.21Å; I63-I153 HydrophobicContact CG2-CG2 3.59Å; M65-I153 PolarHBondContact O-N 3.26Å; W66-I153 CarbonylContact C-O 3.41Å; W66-I153 WeakPolarHBondContact CA-O 3.25Å; W66-I153 HydrophobicContact CE3-CG2 4.3Å; N67-I153 PolarHBondContact N-O 3.27Å; I153-C175 HydrophobicContact CD1-CB 4.11Å; I153-C175 HydrophobicContact CG1-CB 4.33Å; I153-A176 CarbonylContact C-O 3.49Å; I153-A176 WeakPolarHBondContact CA-O 3.38Å; I153-M177 HydrophobicContact CG1-CG 4.37Å
154	G	98	Very high	95.2	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	139.8	160.8	0	0	0	0	0	109.2	C175 A176	G154-C175 CarbonylContact O-C 3.45Å; G154-C175 WeakPolarHBondContact O-CA 2.89Å; G154-A176 PolarHBondContact N-O 3.23Å; G154-A176 PolarHBondContact O-N 3.47Å
155	C	98.3	Very high	94.8	Very high	3 Å²	3	25 Å²	25	2%	0.02	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	154.5	-178.4	-50.7	0	0	0	0	110.9	F36 F44 W66 V174 C175	F36-C155 HydrophobicContact CD2-CB 3.94Å; F36-C155 HydrophobicContact CE2-CB 3.83Å; F44-C155 VanDerWaalsContact CD1-SG 3.6Å; F44-C155 HydrophobicContact CD2-CB 4.33Å; F44-C155 HydrophobicContact CE1-CB 4.29Å; F44-C155 HydrophobicContact CE2-CB 4.04Å; F44-C155 HydrophobicContact CZ-CB 4.01Å; W66-C155 HydrophobicContact CH2-CB 3.72Å; W66-C155 WeakPolarHBondContact CH2-O 3.48Å; W66-C155 WeakPolarHBondContact CZ2-O 3.39Å; W66-C155 HydrophobicContact CZ3-CB 4.15Å; C155-V174 CarbonylContact C-O 3.58Å; C155-V174 WeakPolarHBondContact CA-O 3.39Å; C155-V174 WeakPolarHBondContact CB-O 3.26Å; C155-C175 HydrophobicContact CB-CB 3.99Å; C155-C175 WeakPolarHBondContact CB-SG 3.46Å; C155-C175 WeakPolarHBondContact SG-CB 3.4Å; C155-C175 CovalentContact SG-SG 2.04Å; C155-C175 PolarHBondContact SG-SG 2.93Å
156	G	97.6	Very high	94.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	160.8	172.4	0	0	0	0	0	110.9	V173 V174	G156-V173 WeakPolarHBondContact O-CA 3.43Å; G156-V174 PolarHBondContact N-O 2.9Å; G156-V174 PolarHBondContact O-N 3.07Å
157	M	96.9	Very high	93.4	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	143.2	-178.7	175.4	172.6	68.2	0	0	110.2	L34 F36 Q75 V106 P107 Y171 L172 V173 M303	L34-M157 CarbonylContact C-O 3.18Å; L34-M157 WeakPolarHBondContact CA-O 3.35Å; L34-M157 HydrophobicContact CB-CB 4.45Å; L34-M157 HydrophobicContact CB-CE 3.74Å; L34-M157 HydrophobicContact CB-CG 4.27Å; L34-M157 HydrophobicContact CD1-CE 4.1Å; L34-M157 PolarHBondContact N-O 3.38Å; L34-M157 WeakPolarHBondContact O-CB 3.07Å; F36-M157 HydrophobicContact CE1-CB 4.39Å; F36-M157 HydrophobicContact CE1-CE 3.94Å; F36-M157 HydrophobicContact CE1-SD 4.28Å; F36-M157 HydrophobicContact CE2-CB 3.83Å; F36-M157 HydrophobicContact CZ-CB 3.67Å; F36-M157 HydrophobicContact CZ-CE 4.28Å; F36-M157 HydrophobicContact CZ-CG 4.48Å; F36-M157 HydrophobicContact CZ-SD 4.13Å; Q75-M157 PolarHBondContact NE2-O 3.04Å; Q75-M157 PolarHBondContact OE1-O 3.02Å; V106-M157 HydrophobicContact CG1-CE 3.96Å; P107-M157 HydrophobicContact CG-SD 4.19Å; M157-Y171 HydrophobicContact CG-CD1 4.36Å; M157-Y171 HydrophobicContact SD-CD1 4.09Å; M157-Y171 HydrophobicContact SD-CG 4.33Å; M157-L172 WeakPolarHBondContact CA-O 2.99Å; M157-V173 HydrophobicContact CB-CG2 4.12Å; M157-V173 HydrophobicContact CG-CG2 3.81Å; M157-V173 HydrophobicContact SD-CG2 3.8Å; M157-M303 HydrophobicContact CE-CE 4.13Å; M157-M303 HydrophobicContact CE-SD 4.18Å
158	A	95.6	Very high	92.7	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	144.3	171.9	0	0	0	0	0	110.2	V31 T32 A78 E79 Y171 L172	V31-A158 HydrophobicContact CG1-CB 4.01Å; T32-A158 WeakPolarHBondContact O-CA 3.35Å; A78-A158 HydrophobicContact CB-CB 4.02Å; A78-A158 WeakPolarHBondContact O-CB 3.46Å; E79-A158 HydrophobicContact CG-CB 4.18Å; A158-Y171 WeakPolarHBondContact O-CA 3.3Å; A158-L172 PolarHBondContact N-O 3.31Å; A158-L172 PolarHBondContact O-N 3.34Å
159	R	93.3	Very high	92.4	Very high	64 Å²	64	39.1 Å²	39.1	24%	0.242	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	120.8	167	-164.3	-176	165.4	-86.5	-11.9	107.9	V31 T32 L34 F102 E161 Y171	V31-R159 WeakPolarHBondContact CA-O 3.26Å; T32-R159 PolarHBondContact N-O 3.11Å; T32-R159 PolarHBondContact O-N 2.89Å; L34-R159 HydrophobicContact CD1-CB 3.95Å; F102-R159 HydrophobicContact CD1-CG 4.29Å; F102-R159 HydrophobicContact CE1-CB 4.47Å; F102-R159 HydrophobicContact CE1-CG 3.25Å; F102-R159 HydrophobicContact CZ-CG 3.55Å; R159-E161 IonicContact CZ-OE1 3.14Å; R159-E161 IonicContact NH1-OE1 2.65Å; R159-E161 PolarHBondContact NH1-OE1 3.13Å; R159-E161 IonicContact NH2-OE1 2.77Å; R159-E161 PolarHBondContact NH2-OE1 3.49Å; R159-Y171 HydrophobicContact CB-CD1 4.26Å; R159-Y171 HydrophobicContact CB-CE1 4.12Å; R159-Y171 HydrophobicContact CG-CD1 4.32Å; R159-Y171 HydrophobicContact CG-CE1 3.92Å
160	C	94.2	Very high	92.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	117.8	-173.8	-62.6	0	0	0	0	110.2	C81 F102 F162 I163 A169 G170	C81-C160 VanDerWaalsContact CA-SG 3.54Å; C81-C160 HydrophobicContact CB-CB 3.67Å; C81-C160 WeakPolarHBondContact CB-SG 3.35Å; C81-C160 WeakPolarHBondContact SG-CB 3.25Å; C81-C160 CovalentContact SG-SG 2.03Å; C81-C160 PolarHBondContact SG-SG 3.3Å; F102-C160 WeakPolarHBondContact CZ-O 3.19Å; C160-F162 PolarHBondContact O-N 3.44Å; C160-I163 HydrophobicContact CB-CD1 4.26Å; C160-I163 HydrophobicContact CB-CG1 3.51Å; C160-A169 WeakPolarHBondContact O-CA 3.3Å; C160-G170 PolarHBondContact N-O 3.29Å; C160-G170 PolarHBondContact O-N 2.83Å
161	E	92.2	Very high	92.2	Very high	79 Å²	79	38.5 Å²	38.5	37%	0.369	20%	0.202	S	C	.	.	S	Bend	trans	-64	-23	172.1	-69.2	-60	155.9	0	0	112.6	D30 R159 A169	D30-E161 HydrophobicContact CB-CG 4.18Å; R159-E161 IonicContact CZ-OE1 3.14Å; R159-E161 IonicContact NH1-OE1 2.65Å; R159-E161 PolarHBondContact NH1-OE1 3.13Å; R159-E161 IonicContact NH2-OE1 2.77Å; R159-E161 PolarHBondContact NH2-OE1 3.49Å; E161-A169 WeakPolarHBondContact O-CB 3.18Å
162	F	91.2	Very high	92.3	Very high	80 Å²	80	37.5 Å²	37.5	35%	0.351	20%	0.195	S	C	.	.	S	Bend	trans	-147.6	132.9	171.9	-176.2	-102.6	0	0	0	109.3	Y29 C81 C160 I164	Y29-F162 HydrophobicContact CD1-CB 4.09Å; Y29-F162 HydrophobicContact CE1-CB 4.19Å; Y29-F162 HydrophobicContact CE2-CD1 4.34Å; Y29-F162 HydrophobicContact CG-CB 4.31Å; C81-F162 WeakPolarHBondContact CB-O 3.4Å; C160-F162 PolarHBondContact O-N 3.44Å; F162-I164 HydrophobicContact CD1-CG1 4.15Å; F162-I164 HydrophobicContact CE1-CG1 3.97Å
163	I	92.2	Very high	92.3	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.184	C	C	.	.			trans	-110.2	110.5	176.4	-60.2	172.7	0	0	0	108.3	C81 V83 T99 C160 G165 K166 L172	C81-I163 CarbonylContact O-C 3.2Å; C81-I163 VanDerWaalsContact O-CA 3.31Å; C81-I163 WeakPolarHBondContact O-CA 3.4Å; V83-I163 HydrophobicContact CG1-CG2 4.05Å; T99-I163 HydrophobicContact CG2-CD1 4.02Å; T99-I163 HydrophobicContact CG2-CG2 4.26Å; C160-I163 HydrophobicContact CB-CD1 4.26Å; C160-I163 HydrophobicContact CB-CG1 3.51Å; I163-G165 PolarHBondContact O-N 3.5Å; I163-K166 HydrophobicContact CB-CB 4.19Å; I163-K166 HydrophobicContact CG2-CB 4.19Å; I163-K166 HydrophobicContact CG2-CG 4.19Å; I163-K166 CarbonylContact O-C 3.3Å; I163-K166 PolarHBondContact O-N 3.39Å; I163-L172 HydrophobicContact CD1-CB 4.32Å
164	I	90.1	Very high	92.2	Very high	81 Å²	81	35.2 Å²	35.2	42%	0.415	18%	0.184	S	C	.	.	B	Isolated β-bridge	trans	-60.1	124.3	177.1	-58.6	169	0	0	0	109.2	C81 S82 V83 F162	C81-I164 PolarHBondContact O-N 2.99Å; S82-I164 WeakPolarHBondContact CA-O 3.25Å; V83-I164 WeakPolarHBondContact CG2-O 3.48Å; V83-I164 PolarHBondContact N-O 3.25Å; F162-I164 HydrophobicContact CD1-CG1 4.15Å; F162-I164 HydrophobicContact CE1-CG1 3.97Å
165	G	87.1	Confident	92.1	Very high	48 Å²	48	35.2 Å²	35.2	50%	0.495	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	91.3	3	-173.7	0	0	0	0	0	114.3	I163	I163-G165 PolarHBondContact O-N 3.5Å
166	K	84.8	Confident	92	Very high	82 Å²	82	35 Å²	35	36%	0.357	18%	0.183	S	C	.	.	S	Bend	trans	-133.4	156.6	166.2	-64.3	-64.8	-178.9	-175.1	0	110	V83 T99 I163	V83-K166 HydrophobicContact CG1-CG 4.42Å; T99-K166 HydrophobicContact CG2-CG 4.07Å; I163-K166 HydrophobicContact CB-CB 4.19Å; I163-K166 HydrophobicContact CG2-CB 4.19Å; I163-K166 HydrophobicContact CG2-CG 4.19Å; I163-K166 CarbonylContact O-C 3.3Å; I163-K166 PolarHBondContact O-N 3.39Å
167	E	77.6	Confident	92	Very high	193 Å²	193	35 Å²	35	90%	0.902	18%	0.183	S	C	*	.	S	Bend	trans	-91.7	2	-177.6	-61.9	-172.9	165.3	0	0	113.5
168	T	82.8	Confident	91.9	Very high	70 Å²	70	36.6 Å²	36.6	43%	0.429	19%	0.192	S	C	.	.	S	Bend	trans	-130.2	139	-170	59.7	0	0	0	0	112.7
169	A	90.4	Very high	91.9	Very high	31 Å²	31	41.6 Å²	41.6	26%	0.256	21%	0.213	S	C	.	.			trans	-62.3	144.9	165.7	0	0	0	0	0	110.9	P101 F102 C160 E161	P101-A169 WeakPolarHBondContact CA-O 3.42Å; F102-A169 HydrophobicContact CD2-CB 3.63Å; F102-A169 HydrophobicContact CE2-CB 3.39Å; F102-A169 HydrophobicContact CZ-CB 4.14Å; F102-A169 PolarHBondContact N-O 2.85Å; C160-A169 WeakPolarHBondContact O-CA 3.3Å; E161-A169 WeakPolarHBondContact O-CB 3.18Å
170	G	92.7	Very high	91.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	175.9	-172.7	-172.3	0	0	0	0	0	115	R100 F102 C160	R100-G170 CarbonylContact O-C 3.37Å; R100-G170 WeakPolarHBondContact O-CA 3.46Å; F102-G170 VanDerWaalsContact CD1-CA 3.44Å; F102-G170 VanDerWaalsContact CE1-O 3.27Å; F102-G170 WeakPolarHBondContact CE1-O 3.48Å; C160-G170 PolarHBondContact N-O 3.29Å; C160-G170 PolarHBondContact O-N 2.83Å
171	Y	93.8	Very high	91.8	Very high	7 Å²	7	43.9 Å²	43.9	3%	0.027	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	126.8	167.7	-57.7	-76	0	0	0	109.4	L34 T99 R100 F102 V106 M157 A158 R159 R311	L34-Y171 HydrophobicContact CD1-CD1 3.96Å; L34-Y171 HydrophobicContact CD1-CE1 3.61Å; T99-Y171 CarbonylContact C-O 3.56Å; T99-Y171 VanDerWaalsContact CA-O 3.3Å; T99-Y171 WeakPolarHBondContact CA-O 3.4Å; R100-Y171 HydrophobicContact CB-CD2 4.37Å; R100-Y171 PolarHBondContact N-O 2.97Å; R100-Y171 PolarHBondContact O-N 3.03Å; F102-Y171 HydrophobicContact CD1-CE2 4.24Å; V106-Y171 HydrophobicContact CG2-CE1 4.07Å; V106-Y171 HydrophobicContact CG2-CE2 4.28Å; V106-Y171 WeakPolarHBondContact CG2-OH 3.28Å; M157-Y171 HydrophobicContact CG-CD1 4.36Å; M157-Y171 HydrophobicContact SD-CD1 4.09Å; M157-Y171 HydrophobicContact SD-CG 4.33Å; A158-Y171 WeakPolarHBondContact O-CA 3.3Å; R159-Y171 HydrophobicContact CB-CD1 4.26Å; R159-Y171 HydrophobicContact CB-CE1 4.12Å; R159-Y171 HydrophobicContact CG-CD1 4.32Å; R159-Y171 HydrophobicContact CG-CE1 3.92Å; Y171-R311 PolarHBondContact OH-NH1 3.5Å; Y171-R311 PolarHBondContact OH-NH2 3.22Å
172	L	95.1	Very high	91.8	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	119.5	163	177.1	57.5	0	0	0	107.7	V83 L86 T99 M157 A158 I163 V174	V83-L172 HydrophobicContact CG1-CD1 4.18Å; L86-L172 HydrophobicContact CD1-CD2 4.44Å; T99-L172 HydrophobicContact CG2-CD1 3.89Å; M157-L172 WeakPolarHBondContact CA-O 2.99Å; A158-L172 PolarHBondContact N-O 3.31Å; A158-L172 PolarHBondContact O-N 3.34Å; I163-L172 HydrophobicContact CD1-CB 4.32Å; L172-V174 HydrophobicContact CD1-CG2 4.4Å; L172-V174 HydrophobicContact CG-CG2 4.2Å
173	V	96.3	Very high	91.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.2	174.4	-178.8	0	0	0	0	108.4	F36 M97 V98 L112 G156 M157	F36-V173 HydrophobicContact CE2-CG1 4.2Å; F36-V173 HydrophobicContact CZ-CG1 4.07Å; M97-V173 CarbonylContact C-O 3.57Å; M97-V173 WeakPolarHBondContact CA-O 3.33Å; V98-V173 HydrophobicContact CG1-CB 3.89Å; V98-V173 HydrophobicContact CG1-CG1 4.47Å; V98-V173 HydrophobicContact CG1-CG2 4.47Å; V98-V173 PolarHBondContact N-O 2.97Å; V98-V173 PolarHBondContact O-N 3Å; L112-V173 HydrophobicContact CD1-CG1 3.96Å; L112-V173 HydrophobicContact CD1-CG2 4.04Å; L112-V173 HydrophobicContact CD2-CB 4.1Å; L112-V173 HydrophobicContact CD2-CG1 4.24Å; L112-V173 HydrophobicContact CD2-CG2 3.68Å; G156-V173 WeakPolarHBondContact O-CA 3.43Å; M157-V173 HydrophobicContact CB-CG2 4.12Å; M157-V173 HydrophobicContact CG-CG2 3.81Å; M157-V173 HydrophobicContact SD-CG2 3.8Å
174	V	95.9	Very high	91.6	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	135.8	176.5	-177.5	0	0	0	0	108.1	A74 M77 A78 L86 I95 M97 C155 G156 L172	A74-V174 HydrophobicContact CB-CB 4.22Å; A74-V174 HydrophobicContact CB-CG1 4.04Å; A74-V174 WeakPolarHBondContact CB-O 3.36Å; M77-V174 HydrophobicContact CB-CG1 4.23Å; M77-V174 HydrophobicContact CB-CG2 4.3Å; A78-V174 HydrophobicContact CB-CG2 4.05Å; L86-V174 HydrophobicContact CD1-CG2 3.67Å; L86-V174 HydrophobicContact CD2-CG1 4.04Å; L86-V174 HydrophobicContact CD2-CG2 4.3Å; I95-V174 HydrophobicContact CD1-CG1 4.08Å; I95-V174 HydrophobicContact CG2-CG1 3.81Å; M97-V174 HydrophobicContact CB-CG2 4.46Å; C155-V174 CarbonylContact C-O 3.58Å; C155-V174 WeakPolarHBondContact CA-O 3.39Å; C155-V174 WeakPolarHBondContact CB-O 3.26Å; G156-V174 PolarHBondContact N-O 2.9Å; G156-V174 PolarHBondContact O-N 3.07Å; L172-V174 HydrophobicContact CD1-CG2 4.4Å; L172-V174 HydrophobicContact CG-CG2 4.2Å
175	C	97	Very high	91.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	125.6	168.1	-68.2	0	0	0	0	109.5	I95 V96 I153 G154 C155	I95-C175 WeakPolarHBondContact CA-O 3.41Å; V96-C175 HydrophobicContact CG2-CB 3.59Å; V96-C175 PolarHBondContact N-O 2.93Å; V96-C175 PolarHBondContact O-N 3.49Å; I153-C175 HydrophobicContact CD1-CB 4.11Å; I153-C175 HydrophobicContact CG1-CB 4.33Å; G154-C175 CarbonylContact O-C 3.45Å; G154-C175 WeakPolarHBondContact O-CA 2.89Å; C155-C175 HydrophobicContact CB-CB 3.99Å; C155-C175 WeakPolarHBondContact CB-SG 3.46Å; C155-C175 WeakPolarHBondContact SG-CB 3.4Å; C155-C175 CovalentContact SG-SG 2.04Å; C155-C175 PolarHBondContact SG-SG 2.93Å
176	A	96.1	Very high	92.1	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	138.1	174.3	0	0	0	0	0	110.9	L70 Y73 A74 G94 I95 I153 G154	L70-A176 HydrophobicContact CB-CB 4.08Å; L70-A176 HydrophobicContact CD2-CB 4.13Å; Y73-A176 HydrophobicContact CD1-CB 3.92Å; A74-A176 HydrophobicContact CB-CB 4.15Å; G94-A176 CarbonylContact O-C 3.5Å; G94-A176 WeakPolarHBondContact O-CA 3.39Å; I95-A176 HydrophobicContact CD1-CB 3.49Å; I95-A176 VanDerWaalsContact CD1-CB 3.49Å; I153-A176 CarbonylContact C-O 3.49Å; I153-A176 WeakPolarHBondContact CA-O 3.38Å; G154-A176 PolarHBondContact N-O 3.23Å; G154-A176 PolarHBondContact O-N 3.47Å
177	M	96	Very high	92.6	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	146.6	178.3	-59.2	-170.7	79.1	0	0	110.3	F48 I63 Y93 G94 E152 I153 K179	F48-M177 HydrophobicContact CE1-CE 4.39Å; F48-M177 HydrophobicContact CE1-SD 4.19Å; I63-M177 HydrophobicContact CD1-CE 3.58Å; Y93-M177 WeakPolarHBondContact CB-O 3.44Å; G94-M177 PolarHBondContact N-O 2.94Å; G94-M177 PolarHBondContact O-N 3.19Å; E152-M177 WeakPolarHBondContact O-CA 3.49Å; I153-M177 HydrophobicContact CG1-CG 4.37Å; M177-K179 PolarHBondContact O-N 3.46Å
178	N	95.5	Very high	93.5	Very high	33 Å²	33	42.8 Å²	42.8	18%	0.176	21%	0.209	C	C	.	.	S	Bend	trans	-64.9	-20.5	-178.5	64.9	-18	0	0	0	114.5	L70 S151 E152	L70-N178 HydrophobicContact CD1-CB 4.31Å; S151-N178 PolarHBondContact N-OD1 2.76Å; S151-N178 VanDerWaalsContact N-OD1 3.09Å; S151-N178 PolarHBondContact OG-ND2 3.41Å; E152-N178 HydrophobicContact CB-CB 4.04Å; E152-N178 PolarHBondContact N-OD1 2.92Å; E152-N178 PolarHBondContact O-N 3.17Å; E152-N178 PolarHBondContact OE1-ND2 2.99Å
179	K	94.9	Very high	94.2	Very high	105 Å²	105	40.3 Å²	40.3	46%	0.457	20%	0.196	S	C	.	.	S	Bend	trans	-121.5	125.5	178.8	-60.1	-56.3	-174	-172.4	0	111.4	Q144 A149 M177	Q144-K179 PolarHBondContact NE2-O 2.88Å; A149-K179 HydrophobicContact CB-CB 4.28Å; A149-K179 HydrophobicContact CB-CG 4.03Å; A149-K179 VanDerWaalsContact O-CG 3.23Å; A149-K179 WeakPolarHBondContact O-CG 3.3Å; M177-K179 PolarHBondContact O-N 3.46Å
180	K	92.8	Very high	94.4	Very high	100 Å²	100	42.4 Å²	42.4	44%	0.435	21%	0.207	S	C	.	.			trans	-81	138.3	174.9	-173.5	162.1	-177.3	148.1	0	111.7	E91 W147	E91-K180 IonicContact OE2-NZ 2.8Å; E91-K180 PolarHBondContact OE2-NZ 2.79Å; W147-K180 PolarHBondContact NE1-O 2.79Å
181	A	92.8	Very high	94.4	Very high	12 Å²	12	44 Å²	44	10%	0.099	22%	0.224	C	C	.	.			trans	-75.2	144.3	178.7	0	0	0	0	0	112.6	Q144 W147	Q144-A181 HydrophobicContact CB-CB 4.2Å; W147-A181 HydrophobicContact CB-CB 3.99Å; W147-A181 VanDerWaalsContact CD2-CA 3.43Å; W147-A181 HydrophobicContact CD2-CB 3.73Å; W147-A181 HydrophobicContact CE3-CB 3.57Å; W147-A181 HydrophobicContact CG-CB 3.9Å; W147-A181 HydrophobicContact CZ3-CB 4.31Å
182	S	91.7	Very high	94.5	Very high	37 Å²	37	47.6 Å²	47.6	26%	0.259	25%	0.248	S	C	.	.			trans	-84.1	115.9	167.2	-170	0	0	0	0	109.8	W147 R184 H185	W147-S182 VanDerWaalsContact CH2-N 3.32Å; W147-S182 VanDerWaalsContact CZ3-N 3.27Å; S182-R184 PolarHBondContact O-N 3.27Å; S182-H185 PolarHBondContact O-N 3.29Å; S182-H185 VanDerWaalsContact O-O 3.06Å; S182-H185 PolarHBondContact OG-ND1 3.04Å
183	M	88	Confident	94.6	Very high	98 Å²	98	49.2 Å²	49.2	48%	0.483	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-18.9	174	-65.5	-52.8	-68.1	0	0	113	A140 K143	A140-M183 HydrophobicContact CB-CE 3.85Å; A140-M183 HydrophobicContact CB-SD 4.36Å; K143-M183 HydrophobicContact CB-SD 4.2Å; K143-M183 HydrophobicContact CD-CE 3.9Å; K143-M183 HydrophobicContact CD-SD 4.15Å; K143-M183 PolarHBondContact NZ-O 2.98Å
184	R	91.2	Very high	94.6	Very high	214 Å²	214	50.2 Å²	50.2	81%	0.808	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-15.5	179.9	-62.1	-175.2	-175.2	-174.9	1.1	114.5	N129 S182	N129-R184 PolarHBondContact ND2-O 2.97Å; S182-R184 PolarHBondContact O-N 3.27Å
185	H	93.6	Very high	94.7	Very high	112 Å²	112	53.9 Å²	53.9	52%	0.519	29%	0.288	S	S	.	.	S	Bend	trans	-120.3	157.5	-176.5	-58.9	96.1	0	0	0	111.1	N129 K143 S182	N129-H185 PolarHBondContact OD1-O 2.01Å; K143-H185 VanDerWaalsContact CE-O 3.28Å; K143-H185 WeakPolarHBondContact CE-O 3.39Å; K143-H185 PolarHBondContact NZ-O 2.86Å; S182-H185 PolarHBondContact O-N 3.29Å; S182-H185 VanDerWaalsContact O-O 3.06Å; S182-H185 PolarHBondContact OG-ND1 3.04Å
186	P	95.1	Very high	94.7	Very high	52 Å²	52	59.1 Å²	59.1	34%	0.338	31%	0.312	S	S	.	.			trans	-55.6	142.4	168.1	-25	34.7	0	0	0	111.4	Y124 Y126 N129 Y188	Y124-P186 WeakPolarHBondContact OH-CA 3.36Å; Y126-P186 HydrophobicContact CD2-CB 4.45Å; Y126-P186 HydrophobicContact CE2-CB 3.84Å; N129-P186 HydrophobicContact CB-CG 4.27Å; P186-Y188 PolarHBondContact O-N 3.01Å
187	P	95.8	Very high	94.7	Very high	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.322	C	S	.	.	S	Bend	trans	-70.3	-16.1	-175	26.5	-32.9	0	0	0	113.6	Y124 K143 A146 W147 H148	Y124-P187 HydrophobicContact CE1-CG 4.09Å; Y124-P187 WeakPolarHBondContact OH-CD 3.47Å; K143-P187 WeakPolarHBondContact O-CB 3.44Å; A146-P187 HydrophobicContact CB-CB 4.02Å; A146-P187 HydrophobicContact CB-CG 4.08Å; W147-P187 HydrophobicContact CE3-CB 4.12Å; H148-P187 WeakPolarHBondContact CB-O 3.39Å; H148-P187 PolarHBondContact CD2-O 3.14Å; H148-P187 PolarHBondContact N-O 3.42Å
188	Y	96.8	Very high	94.7	Very high	27 Å²	27	62.1 Å²	62.1	11%	0.106	33%	0.332	C	S	.	.	S	Bend	trans	-155.3	161.8	-178.9	53.4	-100.3	0	0	0	112.6	L55 S57 M60 Y126 A146 P186	L55-Y188 HydrophobicContact CB-CE1 4.26Å; L55-Y188 HydrophobicContact CD1-CD1 4.38Å; L55-Y188 HydrophobicContact CD1-CE1 3.93Å; L55-Y188 HydrophobicContact CD2-CE1 4.44Å; L55-Y188 HydrophobicContact CG-CE1 4.45Å; S57-Y188 VanDerWaalsContact CB-CD2 3.48Å; S57-Y188 VanDerWaalsContact OG-CB 3.28Å; S57-Y188 WeakPolarHBondContact OG-CB 3.24Å; M60-Y188 HydrophobicContact CE-CD1 3.61Å; M60-Y188 HydrophobicContact CE-CE1 4.36Å; M60-Y188 HydrophobicContact CE-CG 3.89Å; Y126-Y188 HydrophobicContact CD2-CD2 4.3Å; Y126-Y188 HydrophobicContact CD2-CE1 4.41Å; Y126-Y188 AromaticContact CD2-CE2 3.61Å; Y126-Y188 HydrophobicContact CD2-CE2 3.61Å; Y126-Y188 AromaticContact CD2-CZ 3.67Å; Y126-Y188 AromaticContact CE2-CD2 3.53Å; Y126-Y188 HydrophobicContact CE2-CD2 3.53Å; Y126-Y188 HydrophobicContact CE2-CE1 4.45Å; Y126-Y188 AromaticContact CE2-CE2 3.26Å; Y126-Y188 HydrophobicContact CE2-CE2 3.26Å; Y126-Y188 HydrophobicContact CE2-CG 4.25Å; Y126-Y188 AromaticContact CE2-CZ 3.77Å; Y126-Y188 WeakPolarHBondContact CE2-O 3.08Å; Y126-Y188 AromaticContact CZ-CE2 3.98Å; Y126-Y188 PolarHBondContact OH-O 2.91Å; A146-Y188 HydrophobicContact CB-CD1 3.96Å; A146-Y188 HydrophobicContact CB-CE1 3.93Å; P186-Y188 PolarHBondContact O-N 3.01Å
189	A	96.6	Very high	94.7	Very high	19 Å²	19	66.9 Å²	66.9	16%	0.157	36%	0.362	C	S	.	.			trans	-74	148.1	175.9	0	0	0	0	0	111.5	G58 N59 H196	G58-A189 PolarHBondContact N-O 3.4Å; N59-A189 HydrophobicContact CB-CB 4.08Å; N59-A189 VanDerWaalsContact CG-CB 3.48Å; N59-A189 WeakPolarHBondContact OD1-CB 3.46Å; N59-A189 PolarHBondContact OD1-N 2.97Å; A189-H196 HydrophobicContact CB-CB 4.3Å
190	P	94.6	Very high	94.6	Very high	74 Å²	74	67.9 Å²	67.9	48%	0.481	37%	0.368	S	S	.	.			trans	-61.4	155.7	-179.3	26.4	-35	0	0	0	111.2	G58 Y126	G58-P190 WeakPolarHBondContact CA-O 3.29Å; G58-P190 PolarHBondContact N-O 3.09Å; Y126-P190 HydrophobicContact CE1-CB 4.44Å; Y126-P190 WeakPolarHBondContact OH-CA 3.23Å; Y126-P190 WeakPolarHBondContact OH-CD 3.42Å
191	G	93.5	Very high	94.7	Very high	34 Å²	34	64 Å²	64	35%	0.351	35%	0.353	S	S	.	.	S	Bend	trans	-70.5	-179	179.1	0	0	0	0	0	114.5	N56	N56-G191 WeakPolarHBondContact O-CA 3.27Å; N56-G191 PolarHBondContact O-N 3.2Å
192	P	95.7	Very high	94.7	Very high	83 Å²	83	67.4 Å²	67.4	54%	0.539	38%	0.375	S	S	.	.	S	Bend	cis	-74.6	168.5	5.7	29	-32	0	0	0	112.8	G58 C194 V195	G58-P192 WeakPolarHBondContact CA-O 3.24Å; P192-C194 PolarHBondContact O-N 2.94Å; P192-V195 HydrophobicContact CG-CG1 3.64Å; P192-V195 VanDerWaalsContact O-CG2 3.29Å; P192-V195 WeakPolarHBondContact O-CG2 3.15Å
193	S	95.9	Very high	94.8	Very high	33 Å²	33	73 Å²	73	23%	0.231	39%	0.391	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47	139.1	-179.8	-77	0	0	0	0	114	N56 S57 V195 G207	N56-S193 PolarHBondContact OD1-N 2.93Å; S57-S193 VanDerWaalsContact O-CA 3.3Å; S57-S193 WeakPolarHBondContact O-CA 3.43Å; S193-V195 VanDerWaalsContact C-N 3.29Å; S193-V195 PolarHBondContact O-N 3.3Å; S193-G207 PolarHBondContact OG-O 3.2Å
194	C	96.7	Very high	95.2	Very high	21 Å²	21	72 Å²	72	14%	0.142	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	2.7	170.7	-51.6	0	0	0	0	118.1	S57 G58 P192 H196 C197 C204	S57-C194 PolarHBondContact O-N 3.49Å; G58-C194 CarbonylContact O-C 3.5Å; G58-C194 WeakPolarHBondContact O-CA 3.3Å; G58-C194 PolarHBondContact O-N 2.94Å; P192-C194 PolarHBondContact O-N 2.94Å; C194-H196 PolarHBondContact O-N 3.28Å; C194-C197 WeakPolarHBondContact CA-SG 3.39Å; C194-C197 VanDerWaalsContact CB-SG 3.53Å; C194-C197 PolarHBondContact O-N 3.14Å; C194-C197 PolarHBondContact O-SG 3.04Å; C194-C197 VanDerWaalsContact O-SG 3.36Å; C194-C204 HydrophobicContact CB-CB 3.48Å; C194-C204 VanDerWaalsContact CB-CB 3.48Å; C194-C204 WeakPolarHBondContact CB-SG 3.38Å; C194-C204 VanDerWaalsContact SG-CA 3.51Å; C194-C204 WeakPolarHBondContact SG-CB 3.43Å; C194-C204 CovalentContact SG-SG 2.04Å; C194-C204 PolarHBondContact SG-SG 3.19Å
195	V	97.4	Very high	95.2	Very high	78 Å²	78	62.2 Å²	62.2	47%	0.473	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68	-16.3	-179.9	-62	0	0	0	0	114.5	G58 P192 S193	G58-V195 PolarHBondContact O-N 2.89Å; P192-V195 HydrophobicContact CG-CG1 3.64Å; P192-V195 VanDerWaalsContact O-CG2 3.29Å; P192-V195 WeakPolarHBondContact O-CG2 3.15Å; S193-V195 VanDerWaalsContact C-N 3.29Å; S193-V195 PolarHBondContact O-N 3.3Å
196	H	96.8	Very high	95	Very high	109 Å²	109	60.8 Å²	60.8	51%	0.505	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	29.6	-178	-63.5	-47	0	0	0	111.7	G58 N59 A189 C194	G58-H196 CarbonylContact O-C 3.57Å; G58-H196 WeakPolarHBondContact O-CA 3.48Å; G58-H196 PolarHBondContact O-N 2.81Å; N59-H196 HydrophobicContact CB-CB 3.87Å; N59-H196 WeakPolarHBondContact CB-O 3.13Å; A189-H196 HydrophobicContact CB-CB 4.3Å; C194-H196 PolarHBondContact O-N 3.28Å
197	C	97.2	Very high	94.9	Very high	30 Å²	30	58.9 Å²	58.9	20%	0.203	34%	0.343	C	S	.	.			trans	-63	136.4	174.6	-69	0	0	0	0	111.6	G58 C194 C209	G58-C197 PolarHBondContact O-N 3.09Å; C194-C197 WeakPolarHBondContact CA-SG 3.39Å; C194-C197 VanDerWaalsContact CB-SG 3.53Å; C194-C197 PolarHBondContact O-N 3.14Å; C194-C197 PolarHBondContact O-SG 3.04Å; C194-C197 VanDerWaalsContact O-SG 3.36Å; C197-C209 WeakPolarHBondContact CA-SG 3.15Å; C197-C209 HydrophobicContact CB-CB 3.71Å; C197-C209 WeakPolarHBondContact CB-SG 3.37Å; C197-C209 WeakPolarHBondContact SG-CA 3.32Å; C197-C209 WeakPolarHBondContact SG-CB 3.46Å; C197-C209 CovalentContact SG-SG 2.03Å; C197-C209 PolarHBondContact SG-SG 2.82Å
198	P	96.2	Very high	95	Very high	34 Å²	34	59 Å²	59	22%	0.221	34%	0.344	C	S	.	.			trans	-73.3	160.5	175.8	35.7	-37.5	0	0	0	110.5	E200 N201 S202	P198-E200 VanDerWaalsContact C-N 3.31Å; P198-E200 VanDerWaalsContact CB-OE1 3.26Å; P198-E200 WeakPolarHBondContact CB-OE1 3.32Å; P198-E200 WeakPolarHBondContact CG-OE1 3.42Å; P198-E200 PolarHBondContact O-N 3.27Å; P198-N201 HydrophobicContact CG-CB 4.09Å; P198-N201 CarbonylContact O-C 3.6Å; P198-N201 PolarHBondContact O-N 3.29Å; P198-S202 WeakPolarHBondContact O-CA 2.95Å; P198-S202 PolarHBondContact O-N 3.41Å; P198-S202 VanDerWaalsContact O-N 3.11Å
199	V	94.3	Very high	95	Very high	133 Å²	133	57.8 Å²	57.8	81%	0.806	34%	0.339	S	S	*	.	G	3₁₀ helix	trans	-60.4	-41.4	-170.7	176.3	0	0	0	0	111.7	N201 S202	V199-N201 PolarHBondContact O-N 3.4Å; V199-S202 PolarHBondContact O-OG 3.31Å
200	E	93.2	Very high	95	Very high	125 Å²	125	56.9 Å²	56.9	58%	0.584	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-63.6	-26.8	178.6	66.8	-81.1	-175	0	0	113.4	P198	P198-E200 VanDerWaalsContact C-N 3.31Å; P198-E200 VanDerWaalsContact CB-OE1 3.26Å; P198-E200 WeakPolarHBondContact CB-OE1 3.32Å; P198-E200 WeakPolarHBondContact CG-OE1 3.42Å; P198-E200 PolarHBondContact O-N 3.27Å
201	N	94.6	Very high	94.9	Very high	19 Å²	19	56 Å²	56	10%	0.102	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-126.3	45.2	-177.2	-63.6	-32.1	0	0	0	111.2	Q61 P198 V199 R203 C209 C210 P211	Q61-N201 PolarHBondContact OE1-ND2 3.43Å; P198-N201 HydrophobicContact CG-CB 4.09Å; P198-N201 CarbonylContact O-C 3.6Å; P198-N201 PolarHBondContact O-N 3.29Å; V199-N201 PolarHBondContact O-N 3.4Å; N201-R203 VanDerWaalsContact C-N 3.27Å; N201-R203 PolarHBondContact O-N 2.95Å; N201-C209 HydrophobicContact CB-CB 4.3Å; N201-C209 CarbonylContact O-C 3.54Å; N201-C209 WeakPolarHBondContact O-CA 3.15Å; N201-C209 VanDerWaalsContact O-CB 3.3Å; N201-C209 WeakPolarHBondContact O-CB 3.47Å; N201-C210 CarbonylContact C-O 3.59Å; N201-C210 VanDerWaalsContact C-O 3.3Å; N201-C210 WeakPolarHBondContact CA-O 3.48Å; N201-C210 PolarHBondContact O-N 2.99Å; N201-P211 WeakPolarHBondContact OD1-CB 3.22Å; N201-P211 VanDerWaalsContact OD1-CD 3.29Å; N201-P211 WeakPolarHBondContact OD1-CD 3.32Å
202	S	93.9	Very high	94.5	Very high	83 Å²	83	59.9 Å²	59.9	58%	0.58	34%	0.336	S	S	*	.			trans	-74.4	-6.6	-170.9	50.9	0	0	0	0	115.4	P198 V199	P198-S202 WeakPolarHBondContact O-CA 2.95Å; P198-S202 PolarHBondContact O-N 3.41Å; P198-S202 VanDerWaalsContact O-N 3.11Å; V199-S202 PolarHBondContact O-OG 3.31Å
203	R	94.4	Very high	93.8	Very high	154 Å²	154	57.9 Å²	57.9	58%	0.581	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.1	-179.5	-58.5	-178.2	-179.8	-84.6	-2.2	110.6	N201 V205 L208 C210 P211	N201-R203 VanDerWaalsContact C-N 3.27Å; N201-R203 PolarHBondContact O-N 2.95Å; R203-V205 HydrophobicContact CB-CG2 4.47Å; R203-L208 VanDerWaalsContact O-O 3.1Å; R203-C210 WeakPolarHBondContact CB-O 3.47Å; R203-C210 PolarHBondContact N-O 3.35Å; R203-C210 VanDerWaalsContact N-O 3.17Å; R203-C210 PolarHBondContact O-N 3.03Å; R203-P211 WeakPolarHBondContact CD-O 3.5Å; R203-P211 PolarHBondContact NE-O 2.62Å
204	C	94.8	Very high	92.6	Very high	77 Å²	77	59.9 Å²	59.9	52%	0.52	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	112.3	171.8	-166.9	0	0	0	0	110.7	C194 L208	C194-C204 HydrophobicContact CB-CB 3.48Å; C194-C204 VanDerWaalsContact CB-CB 3.48Å; C194-C204 WeakPolarHBondContact CB-SG 3.38Å; C194-C204 VanDerWaalsContact SG-CA 3.51Å; C194-C204 WeakPolarHBondContact SG-CB 3.43Å; C194-C204 CovalentContact SG-SG 2.04Å; C194-C204 PolarHBondContact SG-SG 3.19Å; C204-L208 CarbonylContact C-O 3.58Å; C204-L208 WeakPolarHBondContact CA-O 3.26Å
205	V	92.8	Very high	90.9	Very high	9 Å²	9	64 Å²	64	6%	0.055	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	110.1	178.1	-176.9	0	0	0	0	107.9	R203 G207 L208 C210 D213	R203-V205 HydrophobicContact CB-CG2 4.47Å; V205-G207 PolarHBondContact O-N 3.34Å; V205-L208 PolarHBondContact N-O 3.27Å; V205-L208 WeakPolarHBondContact O-CB 3.21Å; V205-L208 PolarHBondContact O-N 2.64Å; V205-C210 HydrophobicContact CB-CB 4.44Å; V205-C210 HydrophobicContact CG2-CB 4Å; V205-D213 HydrophobicContact CG2-CB 4.31Å
206	N	89.1	Confident	89.2	Confident	82 Å²	82	68.1 Å²	68.1	44%	0.439	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.5	44.8	-174.8	-56.9	-39.2	0	0	0	113.2	S53 L208 Q215	S53-N206 WeakPolarHBondContact CB-O 3.49Å; N206-L208 VanDerWaalsContact C-N 3.3Å; N206-L208 PolarHBondContact O-N 2.84Å; N206-Q215 PolarHBondContact ND2-NE2 3.02Å; N206-Q215 PolarHBondContact ND2-OE1 3.22Å
207	G	93.4	Very high	87.2	Confident	13 Å²	13	65.2 Å²	65.2	13%	0.134	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	10.5	179.1	0	0	0	0	0	115.8	S193 V205	S193-G207 PolarHBondContact OG-O 3.2Å; V205-G207 PolarHBondContact O-N 3.34Å
208	L	96.4	Very high	85	Confident	3 Å²	3	69.6 Å²	69.6	2%	0.016	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	146.8	173.8	-57.5	172.3	0	0	0	111.8	N49 R52 M60 C62 R203 C204 V205 N206	N49-L208 HydrophobicContact CB-CD1 3.69Å; N49-L208 WeakPolarHBondContact O-CD1 3.33Å; R52-L208 HydrophobicContact CB-CD2 4.02Å; M60-L208 HydrophobicContact CB-CD2 3.88Å; M60-L208 HydrophobicContact CG-CD2 3.4Å; M60-L208 VanDerWaalsContact CG-CD2 3.4Å; M60-L208 CarbonylContact O-C 3.35Å; M60-L208 WeakPolarHBondContact O-CA 3.43Å; C62-L208 HydrophobicContact CB-CB 4.01Å; C62-L208 HydrophobicContact CB-CD1 3.84Å; R203-L208 VanDerWaalsContact O-O 3.1Å; C204-L208 CarbonylContact C-O 3.58Å; C204-L208 WeakPolarHBondContact CA-O 3.26Å; V205-L208 PolarHBondContact N-O 3.27Å; V205-L208 WeakPolarHBondContact O-CB 3.21Å; V205-L208 PolarHBondContact O-N 2.64Å; N206-L208 VanDerWaalsContact C-N 3.3Å; N206-L208 PolarHBondContact O-N 2.84Å
209	C	97.2	Very high	83.1	Confident	0 Å²	0	73.2 Å²	73.2	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	111.8	171.5	-57.1	0	0	0	0	110.3	M60 Q61 C62 C197 N201	M60-C209 WeakPolarHBondContact O-CB 3.34Å; M60-C209 PolarHBondContact O-N 3.44Å; Q61-C209 VanDerWaalsContact CA-O 3.32Å; Q61-C209 WeakPolarHBondContact CA-O 3.49Å; Q61-C209 HydrophobicContact CG-CB 4.45Å; C62-C209 PolarHBondContact N-O 2.7Å; C197-C209 WeakPolarHBondContact CA-SG 3.15Å; C197-C209 HydrophobicContact CB-CB 3.71Å; C197-C209 WeakPolarHBondContact CB-SG 3.37Å; C197-C209 WeakPolarHBondContact SG-CA 3.32Å; C197-C209 WeakPolarHBondContact SG-CB 3.46Å; C197-C209 CovalentContact SG-SG 2.03Å; C197-C209 PolarHBondContact SG-SG 2.82Å; N201-C209 HydrophobicContact CB-CB 4.3Å; N201-C209 CarbonylContact O-C 3.54Å; N201-C209 WeakPolarHBondContact O-CA 3.15Å; N201-C209 VanDerWaalsContact O-CB 3.3Å; N201-C209 WeakPolarHBondContact O-CB 3.47Å
210	C	95.8	Very high	81.4	Confident	0 Å²	0	75.2 Å²	75.2	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	153.5	-176	-70.7	0	0	0	0	112.9	C62 N201 R203 V205 M212	C62-C210 HydrophobicContact CB-CB 4.42Å; C62-C210 WeakPolarHBondContact CB-SG 3.31Å; C62-C210 WeakPolarHBondContact SG-CA 3.48Å; C62-C210 WeakPolarHBondContact SG-CB 3.41Å; C62-C210 CovalentContact SG-SG 2.04Å; C62-C210 PolarHBondContact SG-SG 3.32Å; N201-C210 CarbonylContact C-O 3.59Å; N201-C210 VanDerWaalsContact C-O 3.3Å; N201-C210 WeakPolarHBondContact CA-O 3.48Å; N201-C210 PolarHBondContact O-N 2.99Å; R203-C210 WeakPolarHBondContact CB-O 3.47Å; R203-C210 PolarHBondContact N-O 3.35Å; R203-C210 VanDerWaalsContact N-O 3.17Å; R203-C210 PolarHBondContact O-N 3.03Å; V205-C210 HydrophobicContact CB-CB 4.44Å; V205-C210 HydrophobicContact CG2-CB 4Å; C210-M212 VanDerWaalsContact C-N 3.33Å; C210-M212 WeakPolarHBondContact CB-O 3.38Å
211	P	93.1	Very high	79.9	Confident	57 Å²	57	78.7 Å²	78.7	37%	0.37	40%	0.397	S	S	.	.	S	Bend	trans	-72.5	-30.5	170.6	27.6	-31.5	0	0	0	111.8	T64 N201 R203	T64-P211 HydrophobicContact CG2-CG 3.89Å; N201-P211 WeakPolarHBondContact OD1-CB 3.22Å; N201-P211 VanDerWaalsContact OD1-CD 3.29Å; N201-P211 WeakPolarHBondContact OD1-CD 3.32Å; R203-P211 WeakPolarHBondContact CD-O 3.5Å; R203-P211 PolarHBondContact NE-O 2.62Å
212	M	86.3	Confident	78.8	Confident	114 Å²	114	80.2 Å²	80.2	56%	0.562	41%	0.409	S	S	*	.	S	Bend	trans	-148.6	160.2	-177.7	62.7	-170.1	-121.7	0	0	111.9	C210 W214	C210-M212 VanDerWaalsContact C-N 3.33Å; C210-M212 WeakPolarHBondContact CB-O 3.38Å; M212-W214 PolarHBondContact O-N 3Å
213	D	80.6	Confident	78.2	Confident	41 Å²	41	80.1 Å²	80.1	22%	0.219	40%	0.402	C	S	.	.			trans	-78.9	96.3	173	-171.7	-17.8	0	0	0	109.7	V205 Q215 K216 A217	V205-D213 HydrophobicContact CG2-CB 4.31Å; D213-Q215 PolarHBondContact O-N 2.89Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.48Å; D213-Q215 PolarHBondContact OD1-N 2.85Å; D213-Q215 VanDerWaalsContact OD1-N 3.07Å; D213-K216 HydrophobicContact CB-CB 4.27Å; D213-K216 HydrophobicContact CB-CD 4.48Å; D213-K216 PolarHBondContact O-N 2.75Å; D213-K216 PolarHBondContact OD1-N 2.82Å; D213-K216 WeakPolarHBondContact OD2-CD 3.34Å; D213-K216 WeakPolarHBondContact OD2-CE 3.47Å; D213-K216 WeakPolarHBondContact OD2-CG 3.29Å; D213-K216 IonicContact OD2-NZ 2.66Å; D213-K216 PolarHBondContact OD2-NZ 2.95Å; D213-A217 PolarHBondContact O-N 3.15Å
214	W	69.5	Low	77.8	Confident	75 Å²	75	74.2 Å²	74.2	28%	0.284	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-70.8	-17.3	-180	63.2	-86	0	0	0	113	W46 N49 M212 K216	W46-W214 AromaticContact CD1-CH2 3.57Å; W46-W214 AromaticContact CD1-CZ3 3.77Å; W46-W214 HydrophobicContact CG-CH2 4.49Å; N49-W214 HydrophobicContact CB-CZ2 4.12Å; M212-W214 PolarHBondContact O-N 3Å; W214-K216 VanDerWaalsContact C-N 3.32Å
215	Q	62.7	Low	77.7	Confident	108 Å²	108	73.1 Å²	73.1	51%	0.505	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-77.1	-21.7	173.3	-61.6	-170.3	-48.1	0	0	112.5	N206 D213	N206-Q215 PolarHBondContact ND2-NE2 3.02Å; N206-Q215 PolarHBondContact ND2-OE1 3.22Å; D213-Q215 PolarHBondContact O-N 2.89Å; D213-Q215 WeakPolarHBondContact OD1-CB 3.48Å; D213-Q215 PolarHBondContact OD1-N 2.85Å; D213-Q215 VanDerWaalsContact OD1-N 3.07Å
216	K	60.9	Low	77.7	Confident	164 Å²	164	72.8 Å²	72.8	71%	0.713	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-100.2	9.9	174.4	-66.5	-177.8	-168.3	132	0	113.6	D213 W214 P218	D213-K216 HydrophobicContact CB-CB 4.27Å; D213-K216 HydrophobicContact CB-CD 4.48Å; D213-K216 PolarHBondContact O-N 2.75Å; D213-K216 PolarHBondContact OD1-N 2.82Å; D213-K216 WeakPolarHBondContact OD2-CD 3.34Å; D213-K216 WeakPolarHBondContact OD2-CE 3.47Å; D213-K216 WeakPolarHBondContact OD2-CG 3.29Å; D213-K216 IonicContact OD2-NZ 2.66Å; D213-K216 PolarHBondContact OD2-NZ 2.95Å; W214-K216 VanDerWaalsContact C-N 3.32Å; K216-P218 VanDerWaalsContact O-N 3.15Å
217	A	54.8	Low	77.9	Confident	48 Å²	48	72.5 Å²	72.5	40%	0.397	37%	0.372	S	S	.	.	S	Bend	trans	-51.1	126.6	172.6	0	0	0	0	0	108.1	D213 I219	D213-A217 PolarHBondContact O-N 3.15Å; A217-I219 PolarHBondContact O-N 2.77Å
218	P	51.6	Low	77.9	Confident	122 Å²	122	76.6 Å²	76.6	79%	0.792	39%	0.39	S	S	*	.			trans	-53.3	123.3	-179.2	-23.2	30.4	0	0	0	108.3	K216 K220	K216-P218 VanDerWaalsContact O-N 3.15Å; P218-K220 PolarHBondContact O-N 2.65Å
219	I	55.9	Low	77.8	Confident	111 Å²	111	84.8 Å²	84.8	57%	0.569	43%	0.426	S	S	*	.			trans	-60.3	93.3	166.2	-68.3	172	0	0	0	105.5	A217 R221	A217-I219 PolarHBondContact O-N 2.77Å; I219-R221 PolarHBondContact O-N 3.21Å; I219-R221 VanDerWaalsContact O-N 3.11Å
220	K	57.7	Low	77.6	Confident	175 Å²	175	87.9 Å²	87.9	76%	0.761	44%	0.44	S	S	*	.			trans	-68.3	112.6	169.8	-168.1	176.1	-177.7	-178	0	104.2	P218 C222	P218-K220 PolarHBondContact O-N 2.65Å; K220-C222 PolarHBondContact O-N 3.36Å; K220-C222 PolarHBondContact O-SG 3.45Å
221	R	62.1	Low	77.6	Confident	198 Å²	198	88.9 Å²	88.9	75%	0.747	45%	0.445	S	S	*	.			trans	-58.4	106.6	176.7	-68.6	-175.9	-178.4	174.3	-0.8	107.9	I219 N223 D330	I219-R221 PolarHBondContact O-N 3.21Å; I219-R221 VanDerWaalsContact O-N 3.11Å; R221-N223 PolarHBondContact O-N 3.18Å; R221-D330 VanDerWaalsContact CD-OD1 3.32Å; R221-D330 WeakPolarHBondContact CD-OD1 3.4Å; R221-D330 IonicContact NE-OD1 3.77Å
222	C	71	Confident	77.8	Confident	51 Å²	51	87.5 Å²	87.5	35%	0.345	43%	0.434	S	S	.	.	B	Isolated β-bridge	trans	-93.5	95.8	177.8	-69.6	0	0	0	0	107.2	K220 C329	K220-C222 PolarHBondContact O-N 3.36Å; K220-C222 PolarHBondContact O-SG 3.45Å; C222-C329 WeakPolarHBondContact O-CA 3.39Å; C222-C329 PolarHBondContact O-N 2.65Å
223	N	82.5	Confident	78.4	Confident	81 Å²	81	83.4 Å²	83.4	43%	0.433	42%	0.418	S	S	.	.	S	Bend	trans	63.9	178	-177.9	-56.1	-39.6	0	0	0	114.1	R221 S278 P280 H281	R221-N223 PolarHBondContact O-N 3.18Å; N223-S278 WeakPolarHBondContact CB-O 3.45Å; N223-P280 WeakPolarHBondContact ND2-CD 3.33Å; N223-P280 WeakPolarHBondContact ND2-CG 3.2Å; N223-H281 PolarHBondContact ND2-CD2 3.31Å; N223-H281 PolarHBondContact ND2-NE2 3.06Å
224	G	85.9	Confident	79.3	Confident	29 Å²	29	81.6 Å²	81.6	30%	0.299	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-94.8	158.8	-173.6	0	0	0	0	0	112.6	S278 C279 C329	G224-S278 PolarHBondContact N-O 2.85Å; G224-S278 VanDerWaalsContact N-O 3.13Å; G224-S278 CarbonylContact O-C 3.51Å; G224-C279 WeakPolarHBondContact O-CB 3.5Å; G224-C329 WeakPolarHBondContact O-CB 3.29Å
225	K	91.6	Very high	80.6	Confident	54 Å²	54	79 Å²	79	24%	0.235	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-53	144.6	167.9	-174.2	-175.4	179.6	-170.7	0	111.9	D228 S278 C329 D330 W374	K225-D228 WeakPolarHBondContact CE-OD1 3.3Å; K225-D228 IonicContact NZ-OD1 2.78Å; K225-D228 PolarHBondContact NZ-OD1 3Å; K225-S278 WeakPolarHBondContact O-CB 3.42Å; K225-C329 WeakPolarHBondContact CA-O 3.33Å; K225-C329 PolarHBondContact N-O 2.04Å; K225-D330 HydrophobicContact CB-CB 4.41Å; K225-W374 HydrophobicContact CG-CG 4.32Å
226	P	94	Very high	82.3	Confident	3 Å²	3	74 Å²	74	2%	0.019	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-54.1	160	166.6	-23.9	33.8	0	0	0	112.8	D228 M231 D276 C279 L282 W374	P226-D228 PolarHBondContact O-N 3.19Å; P226-M231 HydrophobicContact CB-SD 4.04Å; P226-M231 HydrophobicContact CG-SD 4.41Å; P226-D276 HydrophobicContact CB-CB 3.91Å; P226-C279 HydrophobicContact CG-CB 4.03Å; P226-L282 HydrophobicContact CG-CD1 4.11Å; P226-L282 HydrophobicContact CG-CD2 4.03Å; P226-L282 HydrophobicContact CG-CG 4.47Å; P226-W374 HydrophobicContact CG-CH2 3.78Å; P226-W374 HydrophobicContact CG-CZ2 3.75Å; P226-W374 HydrophobicContact CG-CZ3 4.36Å
227	N	93.2	Very high	84.1	Confident	76 Å²	76	66.2 Å²	66.2	41%	0.406	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-57.6	129.9	177	-168.4	-46.2	0	0	0	110.8	K229 H230 D276	N227-K229 PolarHBondContact O-N 3.43Å; N227-K229 WeakPolarHBondContact OD1-CB 3.34Å; N227-K229 PolarHBondContact OD1-N 2.73Å; N227-H230 WeakPolarHBondContact O-CB 3.16Å; N227-H230 PolarHBondContact O-N 3.41Å; N227-D276 WeakPolarHBondContact CB-OD2 3.44Å; N227-D276 PolarHBondContact N-OD2 2.91Å
228	D	93.2	Very high	86	Confident	98 Å²	98	64.7 Å²	64.7	52%	0.524	33%	0.326	S	S	.	.	G	3₁₀ helix	trans	-54.8	-28.1	179.3	-79.4	-32.6	0	0	0	113.4	K225 P226 H230 M231	K225-D228 WeakPolarHBondContact CE-OD1 3.3Å; K225-D228 IonicContact NZ-OD1 2.78Å; K225-D228 PolarHBondContact NZ-OD1 3Å; P226-D228 PolarHBondContact O-N 3.19Å; D228-H230 VanDerWaalsContact C-N 3.27Å; D228-H230 PolarHBondContact O-N 3.28Å; D228-M231 WeakPolarHBondContact O-CB 3.12Å; D228-M231 PolarHBondContact O-N 2.94Å
229	K	93.5	Very high	88	Confident	175 Å²	175	61.2 Å²	61.2	76%	0.761	30%	0.301	S	S	*	.	G	3₁₀ helix	trans	-69.7	-21.9	175.9	-64.6	-177.1	179.4	-178.9	0	113.8	N227 M231	N227-K229 PolarHBondContact O-N 3.43Å; N227-K229 WeakPolarHBondContact OD1-CB 3.34Å; N227-K229 PolarHBondContact OD1-N 2.73Å; K229-M231 VanDerWaalsContact C-N 3.35Å
230	H	93.5	Very high	89.5	Confident	66 Å²	66	62.9 Å²	62.9	31%	0.306	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-86.6	-10.6	174.9	-60.1	157.3	0	0	0	112.1	N227 D228 R273 D276	N227-H230 WeakPolarHBondContact O-CB 3.16Å; N227-H230 PolarHBondContact O-N 3.41Å; D228-H230 VanDerWaalsContact C-N 3.27Å; D228-H230 PolarHBondContact O-N 3.28Å; H230-R273 WeakPolarHBondContact O-CB 3.49Å; H230-R273 PolarHBondContact O-N 2.98Å; H230-D276 IonicContact CE1-OD2 2.76Å; H230-D276 IonicContact ND1-OD2 3.65Å; H230-D276 PolarHBondContact ND1-OD2 3.26Å
231	M	96.9	Very high	90.8	Very high	20 Å²	20	57.6 Å²	57.6	10%	0.099	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	132.5	-175	-59.5	-57.8	-70.6	0	0	111.5	P226 D228 K229 R270 V271 W374	P226-M231 HydrophobicContact CB-SD 4.04Å; P226-M231 HydrophobicContact CG-SD 4.41Å; D228-M231 WeakPolarHBondContact O-CB 3.12Å; D228-M231 PolarHBondContact O-N 2.94Å; K229-M231 VanDerWaalsContact C-N 3.35Å; M231-R270 HydrophobicContact CB-CB 4.44Å; M231-R270 HydrophobicContact CE-CB 3.68Å; M231-V271 WeakPolarHBondContact CA-O 3.27Å; M231-W374 HydrophobicContact CE-CB 3.61Å; M231-W374 HydrophobicContact CE-CD2 3.57Å; M231-W374 HydrophobicContact CE-CE3 3.32Å; M231-W374 HydrophobicContact CE-CG 3.71Å; M231-W374 HydrophobicContact CE-CZ3 4.22Å; M231-W374 HydrophobicContact SD-CE3 4.35Å
232	M	97.2	Very high	92.1	Very high	29 Å²	29	52.2 Å²	52.2	14%	0.143	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	148.1	174.8	62	177.4	60.6	0	0	110.6	T249 R270 V271 R273	M232-T249 HydrophobicContact CG-CG2 4.32Å; M232-T249 VanDerWaalsContact SD-CB 3.51Å; M232-T249 HydrophobicContact SD-CG2 3.96Å; M232-R270 CarbonylContact O-C 3.6Å; M232-R270 WeakPolarHBondContact O-CA 3.02Å; M232-R270 VanDerWaalsContact O-CB 3.28Å; M232-R270 WeakPolarHBondContact O-CB 3.38Å; M232-V271 HydrophobicContact CG-CG2 3.61Å; M232-V271 WeakPolarHBondContact CG-O 3.19Å; M232-V271 PolarHBondContact N-O 2.85Å; M232-V271 PolarHBondContact O-N 3.07Å; M232-V271 HydrophobicContact SD-CG2 4.03Å; M232-R273 HydrophobicContact CE-CB 3.33Å; M232-R273 HydrophobicContact CE-CG 3.42Å; M232-R273 VanDerWaalsContact CE-CG 3.42Å
233	A	98.3	Very high	92.8	Very high	27 Å²	27	50.6 Å²	50.6	22%	0.223	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	139.1	179	0	0	0	0	0	111.5	T249 I267	A233-T249 WeakPolarHBondContact O-CA 3.1Å; A233-I267 HydrophobicContact CB-CD1 4.01Å; A233-I267 HydrophobicContact CB-CG1 4.19Å; A233-I267 HydrophobicContact CB-CG2 4.12Å
234	V	98.6	Very high	93.3	Very high	3 Å²	3	48.8 Å²	48.8	2%	0.018	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.6	167.4	-173.2	0	0	0	0	107.7	L247 T249 I267 V268 G269 V271 I373	V234-L247 HydrophobicContact CG1-CB 3.96Å; V234-L247 HydrophobicContact CG1-CD2 4.35Å; V234-T249 HydrophobicContact CB-CG2 4.34Å; V234-T249 HydrophobicContact CG1-CG2 4.49Å; V234-T249 HydrophobicContact CG2-CG2 3.82Å; V234-I267 CarbonylContact O-C 3.57Å; V234-I267 WeakPolarHBondContact O-CA 3.2Å; V234-V268 HydrophobicContact CB-CG2 3.8Å; V234-V268 HydrophobicContact CG1-CG2 3.65Å; V234-V268 PolarHBondContact O-N 2.93Å; V234-G269 PolarHBondContact N-O 3.01Å; V234-V271 HydrophobicContact CG2-CB 4.24Å; V234-V271 HydrophobicContact CG2-CG1 3.68Å; V234-V271 HydrophobicContact CG2-CG2 3.79Å; V234-I373 HydrophobicContact CG2-CD1 4.3Å
235	H	98.6	Very high	93.8	Very high	21 Å²	21	47.5 Å²	47.5	10%	0.097	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	133.9	178.4	-67.5	-90.4	0	0	0	109.8	F237 L247 V248 V254 Y264	H235-F237 HydrophobicContact CB-CE2 4.23Å; H235-L247 CarbonylContact O-C 3.56Å; H235-L247 WeakPolarHBondContact O-CA 3.29Å; H235-V248 WeakPolarHBondContact CB-O 3.47Å; H235-V248 PolarHBondContact N-O 3.44Å; H235-V248 PolarHBondContact O-N 3.26Å; H235-V254 HydrophobicContact CB-CG1 4.46Å; H235-V254 HydrophobicContact CB-CG2 3.67Å; H235-Y264 HydrophobicContact CB-CE2 4.03Å; H235-Y264 PolarHBondContact CE1-OH 2.95Å; H235-Y264 AromaticContact ND1-CE2 3.66Å; H235-Y264 AromaticContact ND1-CZ 3.64Å; H235-Y264 PolarHBondContact ND1-OH 2.95Å
236	R	98.1	Very high	94	Very high	3 Å²	3	46 Å²	46	1%	0.011	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	134	174.9	-178.2	174.6	175.7	-109.7	-4.3	111.8	N245 L246 L247 K265 G266 V268 Q346 E352	R236-N245 PolarHBondContact NE-OD1 3.26Å; R236-N245 PolarHBondContact NH2-OD1 2.04Å; R236-L246 VanDerWaalsContact CA-O 3.29Å; R236-L246 WeakPolarHBondContact CA-O 3.41Å; R236-L247 HydrophobicContact CB-CD2 3.96Å; R236-L247 HydrophobicContact CG-CD2 4.02Å; R236-K265 HydrophobicContact CB-CB 4.2Å; R236-K265 HydrophobicContact CG-CB 4.2Å; R236-K265 HydrophobicContact CG-CG 4.42Å; R236-K265 WeakPolarHBondContact O-CB 3.26Å; R236-K265 PolarHBondContact O-N 3.38Å; R236-G266 PolarHBondContact N-O 3.19Å; R236-V268 HydrophobicContact CB-CG1 3.28Å; R236-V268 HydrophobicContact CG-CG1 4.25Å; R236-Q346 PolarHBondContact NE-O 3.12Å; R236-E352 IonicContact CZ-OE1 2.66Å; R236-E352 IonicContact CZ-OE2 3.97Å; R236-E352 VanDerWaalsContact NH1-CD 3.31Å; R236-E352 IonicContact NH1-OE1 2.96Å; R236-E352 PolarHBondContact NH1-OE1 2.87Å; R236-E352 IonicContact NH1-OE2 3.83Å; R236-E352 PolarHBondContact NH1-OE2 3.31Å; R236-E352 IonicContact NH2-OE1 3.09Å; R236-E352 PolarHBondContact NH2-OE1 3.18Å; R236-E352 IonicContact NH2-OE2 3.37Å
237	F	97.9	Very high	94.2	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	135.1	167.5	-64.8	-97.4	0	0	0	108.5	H235 N245 L246 V248 V254 L257 K258 M262 P263 Y264	H235-F237 HydrophobicContact CB-CE2 4.23Å; F237-N245 WeakPolarHBondContact O-CA 2.99Å; F237-L246 HydrophobicContact CB-CB 4.28Å; F237-L246 PolarHBondContact N-O 3.39Å; F237-L246 PolarHBondContact O-N 3.19Å; F237-V248 HydrophobicContact CD2-CG2 4.18Å; F237-V248 HydrophobicContact CE2-CG2 4.37Å; F237-V254 HydrophobicContact CE2-CG1 4.4Å; F237-V254 HydrophobicContact CE2-CG2 4.26Å; F237-V254 HydrophobicContact CZ-CB 4.49Å; F237-V254 HydrophobicContact CZ-CG1 4.09Å; F237-L257 HydrophobicContact CD1-CB 4.15Å; F237-L257 HydrophobicContact CD2-CD1 3.87Å; F237-L257 HydrophobicContact CE1-CB 3.69Å; F237-L257 HydrophobicContact CE2-CB 4.19Å; F237-L257 HydrophobicContact CE2-CD1 3.84Å; F237-L257 HydrophobicContact CG-CD1 4.31Å; F237-L257 HydrophobicContact CZ-CB 3.72Å; F237-L257 HydrophobicContact CZ-CD1 4.24Å; F237-K258 HydrophobicContact CE1-CG 3.87Å; F237-K258 HydrophobicContact CZ-CG 4.02Å; F237-M262 HydrophobicContact CB-CE 4.06Å; F237-M262 HydrophobicContact CB-CG 3.77Å; F237-M262 HydrophobicContact CD1-CB 3.99Å; F237-M262 HydrophobicContact CD1-CG 3.75Å; F237-M262 HydrophobicContact CG-CG 4.09Å; F237-P263 WeakPolarHBondContact CA-O 3.15Å; F237-Y264 AromaticContact CD1-CD2 3.99Å; F237-Y264 HydrophobicContact CD1-CD2 3.99Å; F237-Y264 HydrophobicContact CD2-CD2 4.42Å; F237-Y264 AromaticContact CE1-CD2 3.57Å; F237-Y264 HydrophobicContact CE1-CD2 3.57Å; F237-Y264 HydrophobicContact CE1-CG 4.11Å; F237-Y264 HydrophobicContact CE2-CD2 4.03Å; F237-Y264 HydrophobicContact CE2-CE2 4.36Å; F237-Y264 HydrophobicContact CG-CD2 4.4Å; F237-Y264 AromaticContact CZ-CD2 3.6Å; F237-Y264 HydrophobicContact CZ-CD2 3.6Å; F237-Y264 HydrophobicContact CZ-CE2 4.16Å; F237-Y264 HydrophobicContact CZ-CG 4.47Å
238	Y	95.4	Very high	94.5	Very high	17 Å²	17	42.4 Å²	42.4	7%	0.067	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	117.2	-179.9	177.7	-118.7	0	0	0	112	H240 T244 N245 P263 I345 E352	Y238-H240 HydrophobicContact CE1-CB 4.36Å; Y238-T244 VanDerWaalsContact CA-O 3.31Å; Y238-T244 WeakPolarHBondContact CA-O 3.01Å; Y238-T244 WeakPolarHBondContact CD2-O 3.21Å; Y238-N245 HydrophobicContact CD2-CB 3.83Å; Y238-N245 HydrophobicContact CE2-CB 4.38Å; Y238-P263 PolarHBondContact N-O 2.97Å; Y238-P263 WeakPolarHBondContact O-CB 3.46Å; Y238-I345 HydrophobicContact CE2-CD1 3.93Å; Y238-I345 HydrophobicContact CE2-CG1 3.97Å; Y238-I345 WeakPolarHBondContact OH-CD1 3.46Å; Y238-E352 WeakPolarHBondContact CD1-OE1 3.44Å; Y238-E352 WeakPolarHBondContact CE1-OE1 3.23Å
239	N	92.9	Very high	94.7	Very high	48 Å²	48	38.9 Å²	38.9	26%	0.257	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	111.7	175.4	-174.8	-15	0	0	0	109.8	G241 T242 S243 T244 M262 P263	N239-G241 VanDerWaalsContact C-N 3.31Å; N239-G241 PolarHBondContact O-N 3.41Å; N239-G241 PolarHBondContact OD1-N 3.22Å; N239-T242 WeakPolarHBondContact CB-OG1 3.3Å; N239-T242 PolarHBondContact ND2-OG1 3.5Å; N239-S243 CarbonylContact O-C 3.58Å; N239-S243 WeakPolarHBondContact O-CA 3.35Å; N239-S243 PolarHBondContact O-N 2.77Å; N239-T244 PolarHBondContact N-O 3.42Å; N239-T244 PolarHBondContact O-N 2.9Å; N239-M262 HydrophobicContact CB-CE 3.45Å; N239-M262 VanDerWaalsContact CB-CE 3.45Å; N239-M262 HydrophobicContact CB-SD 3.94Å; N239-P263 HydrophobicContact CB-CG 4.26Å
240	H	87	Confident	94.9	Very high	146 Å²	146	34.2 Å²	34.2	68%	0.676	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-33.9	178.2	-177.9	-82.8	0	0	0	112.8	Y238 T242 S243	Y238-H240 HydrophobicContact CE1-CB 4.36Å; H240-T242 VanDerWaalsContact C-N 3.34Å; H240-T242 PolarHBondContact O-N 3.32Å; H240-S243 PolarHBondContact O-N 3.31Å
241	G	86.1	Confident	95	Very high	65 Å²	65	35.6 Å²	35.6	67%	0.67	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-31	-176.9	0	0	0	0	0	113.5	N239	N239-G241 VanDerWaalsContact C-N 3.31Å; N239-G241 PolarHBondContact O-N 3.41Å; N239-G241 PolarHBondContact OD1-N 3.22Å
242	T	88.4	Confident	95.1	Very high	85 Å²	85	41.8 Å²	41.8	52%	0.521	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	2.2	178.4	61	0	0	0	0	112.9	N239 H240 T244	N239-T242 WeakPolarHBondContact CB-OG1 3.3Å; N239-T242 PolarHBondContact ND2-OG1 3.5Å; H240-T242 VanDerWaalsContact C-N 3.34Å; H240-T242 PolarHBondContact O-N 3.32Å; T242-T244 WeakPolarHBondContact CB-OG1 3.02Å; T242-T244 PolarHBondContact O-N 3.31Å; T242-T244 PolarHBondContact O-OG1 3.35Å; T242-T244 WeakPolarHBondContact OG1-CB 3.44Å; T242-T244 PolarHBondContact OG1-OG1 3.4Å
243	S	87.3	Confident	95.1	Very high	17 Å²	17	44.7 Å²	44.7	12%	0.119	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.6	20.2	-171.5	-58.2	0	0	0	0	114.8	N239 H240 N245 M342	N239-S243 CarbonylContact O-C 3.58Å; N239-S243 WeakPolarHBondContact O-CA 3.35Å; N239-S243 PolarHBondContact O-N 2.77Å; H240-S243 PolarHBondContact O-N 3.31Å; S243-N245 PolarHBondContact O-N 3.01Å; S243-M342 WeakPolarHBondContact CB-O 3.37Å
244	T	92.2	Very high	95.1	Very high	43 Å²	43	43.6 Å²	43.6	26%	0.264	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	121.2	-176.6	-51.6	0	0	0	0	110.2	Y238 N239 T242 L246 M262	Y238-T244 VanDerWaalsContact CA-O 3.31Å; Y238-T244 WeakPolarHBondContact CA-O 3.01Å; Y238-T244 WeakPolarHBondContact CD2-O 3.21Å; N239-T244 PolarHBondContact N-O 3.42Å; N239-T244 PolarHBondContact O-N 2.9Å; T242-T244 WeakPolarHBondContact CB-OG1 3.02Å; T242-T244 PolarHBondContact O-N 3.31Å; T242-T244 PolarHBondContact O-OG1 3.35Å; T242-T244 WeakPolarHBondContact OG1-CB 3.44Å; T242-T244 PolarHBondContact OG1-OG1 3.4Å; T244-L246 HydrophobicContact CG2-CD1 4.35Å; T244-L246 HydrophobicContact CG2-CD2 4.19Å; T244-L246 HydrophobicContact CG2-CG 4.01Å; T244-M262 HydrophobicContact CG2-CE 4Å
245	N	95.2	Very high	95	Very high	2 Å²	2	47.1 Å²	47.1	1%	0.011	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	106.1	178.9	-178.8	82	0	0	0	110.4	R236 F237 Y238 S243 I344 Q346	R236-N245 PolarHBondContact NE-OD1 3.26Å; R236-N245 PolarHBondContact NH2-OD1 2.04Å; F237-N245 WeakPolarHBondContact O-CA 2.99Å; Y238-N245 HydrophobicContact CD2-CB 3.83Å; Y238-N245 HydrophobicContact CE2-CB 4.38Å; S243-N245 PolarHBondContact O-N 3.01Å; N245-I344 WeakPolarHBondContact CB-O 3.36Å; N245-Q346 PolarHBondContact ND2-N 2.79Å; N245-Q346 PolarHBondContact ND2-O 2.73Å
246	L	97.2	Very high	95	Very high	21 Å²	21	51 Å²	51	11%	0.11	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	137.7	-177.3	-55.3	175	0	0	0	111.4	R236 F237 T244 V248 L257 D296 Y298	R236-L246 VanDerWaalsContact CA-O 3.29Å; R236-L246 WeakPolarHBondContact CA-O 3.41Å; F237-L246 HydrophobicContact CB-CB 4.28Å; F237-L246 PolarHBondContact N-O 3.39Å; F237-L246 PolarHBondContact O-N 3.19Å; T244-L246 HydrophobicContact CG2-CD1 4.35Å; T244-L246 HydrophobicContact CG2-CD2 4.19Å; T244-L246 HydrophobicContact CG2-CG 4.01Å; L246-V248 HydrophobicContact CB-CG2 3.93Å; L246-L257 HydrophobicContact CD1-CD1 3.87Å; L246-L257 HydrophobicContact CD1-CD2 4.17Å; L246-D296 HydrophobicContact CD2-CB 3.98Å; L246-D296 WeakPolarHBondContact CD2-OD1 3.28Å; L246-D296 WeakPolarHBondContact CD2-OD2 3.41Å; L246-Y298 WeakPolarHBondContact CA-OH 3.47Å
247	L	98.3	Very high	95	Very high	1 Å²	1	52 Å²	52	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	115.5	165.3	-58.2	-177.1	0	0	0	108.3	V234 H235 R236 V268 Y298 I319 I335 Q346 F371	V234-L247 HydrophobicContact CG1-CB 3.96Å; V234-L247 HydrophobicContact CG1-CD2 4.35Å; H235-L247 CarbonylContact O-C 3.56Å; H235-L247 WeakPolarHBondContact O-CA 3.29Å; R236-L247 HydrophobicContact CB-CD2 3.96Å; R236-L247 HydrophobicContact CG-CD2 4.02Å; L247-V268 HydrophobicContact CD2-CG2 4.31Å; L247-Y298 HydrophobicContact CB-CD1 4.1Å; L247-Y298 HydrophobicContact CB-CD2 4.1Å; L247-Y298 HydrophobicContact CB-CE1 3.87Å; L247-Y298 HydrophobicContact CB-CE2 3.9Å; L247-Y298 HydrophobicContact CB-CG 4.21Å; L247-Y298 HydrophobicContact CD1-CD2 3.92Å; L247-Y298 HydrophobicContact CD1-CE2 4.47Å; L247-Y298 HydrophobicContact CD1-CG 3.98Å; L247-Y298 HydrophobicContact CG-CD2 3.92Å; L247-Y298 HydrophobicContact CG-CE2 3.96Å; L247-Y298 HydrophobicContact CG-CG 4.31Å; L247-Y298 PolarHBondContact N-OH 3.28Å; L247-Y298 WeakPolarHBondContact O-CE1 3.4Å; L247-Y298 PolarHBondContact O-OH 3.48Å; L247-I319 HydrophobicContact CB-CD1 4.15Å; L247-I335 HydrophobicContact CD1-CG2 4.44Å; L247-Q346 HydrophobicContact CD1-CB 4.29Å; L247-F371 HydrophobicContact CD1-CZ 4.07Å
248	V	98.3	Very high	95	Very high	4 Å²	4	56 Å²	56	2%	0.024	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	130.8	-169.5	-171.2	0	0	0	0	110	H235 F237 L246 Q253 V254 L257	H235-V248 WeakPolarHBondContact CB-O 3.47Å; H235-V248 PolarHBondContact N-O 3.44Å; H235-V248 PolarHBondContact O-N 3.26Å; F237-V248 HydrophobicContact CD2-CG2 4.18Å; F237-V248 HydrophobicContact CE2-CG2 4.37Å; L246-V248 HydrophobicContact CB-CG2 3.93Å; V248-Q253 HydrophobicContact CG1-CB 3.88Å; V248-Q253 HydrophobicContact CG1-CG 3.92Å; V248-V254 HydrophobicContact CB-CG2 4.02Å; V248-V254 HydrophobicContact CG1-CG2 3.76Å; V248-L257 HydrophobicContact CG2-CD1 3.89Å
249	T	98.1	Very high	95.1	Very high	23 Å²	23	63.4 Å²	63.4	14%	0.141	33%	0.331	C	S	.	.			trans	-111.9	-19.6	177.2	52.8	0	0	0	0	113.5	M232 A233 V234 T251 V271 I319	M232-T249 HydrophobicContact CG-CG2 4.32Å; M232-T249 VanDerWaalsContact SD-CB 3.51Å; M232-T249 HydrophobicContact SD-CG2 3.96Å; A233-T249 WeakPolarHBondContact O-CA 3.1Å; V234-T249 HydrophobicContact CB-CG2 4.34Å; V234-T249 HydrophobicContact CG1-CG2 4.49Å; V234-T249 HydrophobicContact CG2-CG2 3.82Å; T249-T251 PolarHBondContact O-N 2.94Å; T249-V271 HydrophobicContact CG2-CG2 3.78Å; T249-I319 WeakPolarHBondContact CB-O 2.91Å; T249-I319 HydrophobicContact CG2-CB 4.28Å; T249-I319 VanDerWaalsContact CG2-O 3.22Å; T249-I319 WeakPolarHBondContact CG2-O 3.5Å; T249-I319 PolarHBondContact OG1-O 3.14Å
250	D	97.1	Very high	95.3	Very high	77 Å²	77	67.3 Å²	67.3	41%	0.412	35%	0.347	S	S	.	.			trans	-73.4	122.6	174.5	-177	-90.7	0	0	0	111.4	E252 Q253 V254	D250-E252 PolarHBondContact O-N 3.5Å; D250-E252 WeakPolarHBondContact OD1-CA 3.45Å; D250-E252 WeakPolarHBondContact OD1-CB 3.35Å; D250-E252 PolarHBondContact OD1-N 2.88Å; D250-Q253 HydrophobicContact CB-CB 4.05Å; D250-Q253 PolarHBondContact O-N 3.18Å; D250-Q253 PolarHBondContact OD1-N 3.46Å; D250-V254 VanDerWaalsContact O-CG2 3.24Å; D250-V254 WeakPolarHBondContact O-CG2 3.13Å; D250-V254 PolarHBondContact O-N 2.93Å
251	T	96.7	Very high	95.8	Very high	95 Å²	95	63.2 Å²	63.2	58%	0.583	35%	0.345	S	S	*	.	H	α-helix	trans	-69.2	-32.8	-174.3	47	0	0	0	0	113.1	T249 V254 D255	T249-T251 PolarHBondContact O-N 2.94Å; T251-V254 PolarHBondContact O-N 3.3Å; T251-D255 PolarHBondContact O-N 3.31Å; T251-D255 VanDerWaalsContact O-N 3.08Å
252	E	97.5	Very high	96.3	Very high	151 Å²	151	61.6 Å²	61.6	71%	0.706	32%	0.32	S	S	*	.	H	α-helix	trans	-70.6	-40.4	179.3	-61.2	-174.3	176.3	0	0	110.6	D250 D255 F256	D250-E252 PolarHBondContact O-N 3.5Å; D250-E252 WeakPolarHBondContact OD1-CA 3.45Å; D250-E252 WeakPolarHBondContact OD1-CB 3.35Å; D250-E252 PolarHBondContact OD1-N 2.88Å; E252-D255 PolarHBondContact O-N 3.25Å; E252-F256 WeakPolarHBondContact O-CB 3.34Å; E252-F256 PolarHBondContact O-N 3Å
253	Q	97.1	Very high	96.8	Very high	90 Å²	90	60.2 Å²	60.2	42%	0.421	31%	0.312	S	S	.	.	H	α-helix	trans	-65.1	-40.1	174.5	-168.2	178	16.4	0	0	111.8	V248 D250 D255 F256 L257	V248-Q253 HydrophobicContact CG1-CB 3.88Å; V248-Q253 HydrophobicContact CG1-CG 3.92Å; D250-Q253 HydrophobicContact CB-CB 4.05Å; D250-Q253 PolarHBondContact O-N 3.18Å; D250-Q253 PolarHBondContact OD1-N 3.46Å; Q253-D255 PolarHBondContact O-N 3.19Å; Q253-F256 PolarHBondContact O-N 3.5Å; Q253-L257 HydrophobicContact CG-CD1 4.27Å; Q253-L257 WeakPolarHBondContact O-CB 3.19Å; Q253-L257 VanDerWaalsContact O-CG 3.32Å; Q253-L257 WeakPolarHBondContact O-CG 3.37Å; Q253-L257 PolarHBondContact O-N 3.34Å
254	V	98.3	Very high	97.3	Very high	3 Å²	3	63.6 Å²	63.6	2%	0.018	32%	0.323	C	S	.	.	H	α-helix	trans	-58.3	-48.1	173.4	168.3	0	0	0	0	111.1	H235 F237 V248 D250 T251 F256 L257 K258	H235-V254 HydrophobicContact CB-CG1 4.46Å; H235-V254 HydrophobicContact CB-CG2 3.67Å; F237-V254 HydrophobicContact CE2-CG1 4.4Å; F237-V254 HydrophobicContact CE2-CG2 4.26Å; F237-V254 HydrophobicContact CZ-CB 4.49Å; F237-V254 HydrophobicContact CZ-CG1 4.09Å; V248-V254 HydrophobicContact CB-CG2 4.02Å; V248-V254 HydrophobicContact CG1-CG2 3.76Å; D250-V254 VanDerWaalsContact O-CG2 3.24Å; D250-V254 WeakPolarHBondContact O-CG2 3.13Å; D250-V254 PolarHBondContact O-N 2.93Å; T251-V254 PolarHBondContact O-N 3.3Å; V254-F256 VanDerWaalsContact C-N 3.35Å; V254-L257 PolarHBondContact O-N 2.04Å; V254-K258 HydrophobicContact CG1-CD 4.26Å; V254-K258 WeakPolarHBondContact O-CG 3.37Å; V254-K258 PolarHBondContact O-N 3.47Å
255	D	98.2	Very high	97.5	Very high	77 Å²	77	66.4 Å²	66.4	41%	0.412	33%	0.332	S	S	.	.	H	α-helix	trans	-69.1	-35.3	-179.5	-74.2	-16.4	0	0	0	112	T251 E252 Q253 R259	T251-D255 PolarHBondContact O-N 3.31Å; T251-D255 VanDerWaalsContact O-N 3.08Å; E252-D255 PolarHBondContact O-N 3.25Å; Q253-D255 PolarHBondContact O-N 3.19Å; D255-R259 WeakPolarHBondContact O-CG 3.27Å; D255-R259 PolarHBondContact O-N 2.86Å; D255-R259 PolarHBondContact O-NH1 3.38Å
256	F	98.2	Very high	97.6	Very high	103 Å²	103	67.1 Å²	67.1	45%	0.452	34%	0.34	S	S	.	.	H	α-helix	trans	-60.5	-51.6	172.1	176.3	-99.1	0	0	0	111.8	E252 Q253 V254 K258 R259 Q260	E252-F256 WeakPolarHBondContact O-CB 3.34Å; E252-F256 PolarHBondContact O-N 3Å; Q253-F256 PolarHBondContact O-N 3.5Å; V254-F256 VanDerWaalsContact C-N 3.35Å; F256-K258 VanDerWaalsContact C-N 3.33Å; F256-K258 PolarHBondContact O-N 2.79Å; F256-R259 WeakPolarHBondContact O-CB 3.42Å; F256-R259 PolarHBondContact O-N 2.85Å; F256-R259 VanDerWaalsContact O-N 3.11Å; F256-Q260 HydrophobicContact CD1-CG 4.31Å; F256-Q260 HydrophobicContact CE1-CG 3.88Å; F256-Q260 HydrophobicContact CE2-CG 4.2Å; F256-Q260 HydrophobicContact CZ-CG 3.82Å; F256-Q260 WeakPolarHBondContact O-CG 3.13Å; F256-Q260 PolarHBondContact O-N 2.02Å
257	L	98.1	Very high	97.6	Very high	24 Å²	24	70.5 Å²	70.5	13%	0.126	36%	0.357	C	S	.	.	H	α-helix	trans	-61.6	-39.2	-179.9	-72.2	170.5	0	0	0	112.4	F237 L246 V248 Q253 V254 Q260 G261 M262	F237-L257 HydrophobicContact CD1-CB 4.15Å; F237-L257 HydrophobicContact CD2-CD1 3.87Å; F237-L257 HydrophobicContact CE1-CB 3.69Å; F237-L257 HydrophobicContact CE2-CB 4.19Å; F237-L257 HydrophobicContact CE2-CD1 3.84Å; F237-L257 HydrophobicContact CG-CD1 4.31Å; F237-L257 HydrophobicContact CZ-CB 3.72Å; F237-L257 HydrophobicContact CZ-CD1 4.24Å; L246-L257 HydrophobicContact CD1-CD1 3.87Å; L246-L257 HydrophobicContact CD1-CD2 4.17Å; V248-L257 HydrophobicContact CG2-CD1 3.89Å; Q253-L257 HydrophobicContact CG-CD1 4.27Å; Q253-L257 WeakPolarHBondContact O-CB 3.19Å; Q253-L257 VanDerWaalsContact O-CG 3.32Å; Q253-L257 WeakPolarHBondContact O-CG 3.37Å; Q253-L257 PolarHBondContact O-N 3.34Å; V254-L257 PolarHBondContact O-N 2.04Å; L257-Q260 PolarHBondContact O-N 3.4Å; L257-G261 PolarHBondContact O-N 3.08Å; L257-M262 HydrophobicContact CB-CB 4.27Å; L257-M262 HydrophobicContact CD2-CB 4.5Å; L257-M262 WeakPolarHBondContact O-CB 3.26Å; L257-M262 PolarHBondContact O-N 3.47Å; L257-M262 VanDerWaalsContact O-N 3.11Å
258	K	98.1	Very high	97.6	Very high	85 Å²	85	70.8 Å²	70.8	37%	0.37	36%	0.359	S	S	.	.	H	α-helix	trans	-61.2	-44.2	173.1	-74.4	173.8	-176	166.1	0	111.9	F237 V254 F256 Q260 G261	F237-K258 HydrophobicContact CE1-CG 3.87Å; F237-K258 HydrophobicContact CZ-CG 4.02Å; V254-K258 HydrophobicContact CG1-CD 4.26Å; V254-K258 WeakPolarHBondContact O-CG 3.37Å; V254-K258 PolarHBondContact O-N 3.47Å; F256-K258 VanDerWaalsContact C-N 3.33Å; F256-K258 PolarHBondContact O-N 2.79Å; K258-Q260 VanDerWaalsContact C-N 3.28Å; K258-Q260 PolarHBondContact O-N 3.18Å; K258-G261 PolarHBondContact O-N 2.91Å
259	R	98	Very high	97.6	Very high	171 Å²	171	70.7 Å²	70.7	65%	0.645	36%	0.358	S	S	*	.	H	α-helix	trans	-63.9	-32.4	176.6	-74.3	-171.8	-60.8	-90.3	1.8	112.7	D255 F256 G261	D255-R259 WeakPolarHBondContact O-CG 3.27Å; D255-R259 PolarHBondContact O-N 2.86Å; D255-R259 PolarHBondContact O-NH1 3.38Å; F256-R259 WeakPolarHBondContact O-CB 3.42Å; F256-R259 PolarHBondContact O-N 2.85Å; F256-R259 VanDerWaalsContact O-N 3.11Å; R259-G261 PolarHBondContact O-N 3.37Å
260	Q	96.7	Very high	97.6	Very high	131 Å²	131	73.2 Å²	73.2	61%	0.612	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-2.2	174	-63.2	-52.3	-57	0	0	113.5	F256 L257 K258 M262	F256-Q260 HydrophobicContact CD1-CG 4.31Å; F256-Q260 HydrophobicContact CE1-CG 3.88Å; F256-Q260 HydrophobicContact CE2-CG 4.2Å; F256-Q260 HydrophobicContact CZ-CG 3.82Å; F256-Q260 WeakPolarHBondContact O-CG 3.13Å; F256-Q260 PolarHBondContact O-N 2.02Å; L257-Q260 PolarHBondContact O-N 3.4Å; K258-Q260 VanDerWaalsContact C-N 3.28Å; K258-Q260 PolarHBondContact O-N 3.18Å; Q260-M262 VanDerWaalsContact C-N 3.31Å; Q260-M262 PolarHBondContact O-N 3.42Å
261	G	96.9	Very high	97.6	Very high	60 Å²	60	69.6 Å²	69.6	62%	0.619	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.2	15.9	179.6	0	0	0	0	0	114.2	L257 K258 R259	L257-G261 PolarHBondContact O-N 3.08Å; K258-G261 PolarHBondContact O-N 2.91Å; R259-G261 PolarHBondContact O-N 3.37Å
262	M	97.6	Very high	97.7	Very high	31 Å²	31	65 Å²	65	15%	0.153	32%	0.318	C	S	.	.			trans	-62.6	128.2	174.8	-176	62.1	-169.5	0	0	109.7	F237 N239 T244 L257 Q260 Y264	F237-M262 HydrophobicContact CB-CE 4.06Å; F237-M262 HydrophobicContact CB-CG 3.77Å; F237-M262 HydrophobicContact CD1-CB 3.99Å; F237-M262 HydrophobicContact CD1-CG 3.75Å; F237-M262 HydrophobicContact CG-CG 4.09Å; N239-M262 HydrophobicContact CB-CE 3.45Å; N239-M262 VanDerWaalsContact CB-CE 3.45Å; N239-M262 HydrophobicContact CB-SD 3.94Å; T244-M262 HydrophobicContact CG2-CE 4Å; L257-M262 HydrophobicContact CB-CB 4.27Å; L257-M262 HydrophobicContact CD2-CB 4.5Å; L257-M262 WeakPolarHBondContact O-CB 3.26Å; L257-M262 PolarHBondContact O-N 3.47Å; L257-M262 VanDerWaalsContact O-N 3.11Å; Q260-M262 VanDerWaalsContact C-N 3.31Å; Q260-M262 PolarHBondContact O-N 3.42Å; M262-Y264 PolarHBondContact O-N 2.72Å
263	P	97.7	Very high	97.7	Very high	55 Å²	55	65.1 Å²	65.1	36%	0.357	31%	0.312	S	S	.	.			trans	-61.2	113.1	-176.2	-24.2	33.4	0	0	0	112.7	F237 Y238 N239	F237-P263 WeakPolarHBondContact CA-O 3.15Å; Y238-P263 PolarHBondContact N-O 2.97Å; Y238-P263 WeakPolarHBondContact O-CB 3.46Å; N239-P263 HydrophobicContact CB-CG 4.26Å
264	Y	97.9	Very high	97.6	Very high	89 Å²	89	62.9 Å²	62.9	35%	0.349	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	128.4	-176.4	179.7	-121.1	0	0	0	111.5	H235 F237 M262	H235-Y264 HydrophobicContact CB-CE2 4.03Å; H235-Y264 PolarHBondContact CE1-OH 2.95Å; H235-Y264 AromaticContact ND1-CE2 3.66Å; H235-Y264 AromaticContact ND1-CZ 3.64Å; H235-Y264 PolarHBondContact ND1-OH 2.95Å; F237-Y264 AromaticContact CD1-CD2 3.99Å; F237-Y264 HydrophobicContact CD1-CD2 3.99Å; F237-Y264 HydrophobicContact CD2-CD2 4.42Å; F237-Y264 AromaticContact CE1-CD2 3.57Å; F237-Y264 HydrophobicContact CE1-CD2 3.57Å; F237-Y264 HydrophobicContact CE1-CG 4.11Å; F237-Y264 HydrophobicContact CE2-CD2 4.03Å; F237-Y264 HydrophobicContact CE2-CE2 4.36Å; F237-Y264 HydrophobicContact CG-CD2 4.4Å; F237-Y264 AromaticContact CZ-CD2 3.6Å; F237-Y264 HydrophobicContact CZ-CD2 3.6Å; F237-Y264 HydrophobicContact CZ-CE2 4.16Å; F237-Y264 HydrophobicContact CZ-CG 4.47Å; M262-Y264 PolarHBondContact O-N 2.72Å
265	K	96.7	Very high	97.4	Very high	101 Å²	101	69.4 Å²	69.4	44%	0.439	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-6.9	-178.2	-61.7	-62	-170.8	171.8	0	114.1	R236	R236-K265 HydrophobicContact CB-CB 4.2Å; R236-K265 HydrophobicContact CG-CB 4.2Å; R236-K265 HydrophobicContact CG-CG 4.42Å; R236-K265 WeakPolarHBondContact O-CB 3.26Å; R236-K265 PolarHBondContact O-N 3.38Å
266	G	96.9	Very high	97.1	Very high	18 Å²	18	66.9 Å²	66.9	19%	0.186	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	103.4	-170.9	-179.7	0	0	0	0	0	113.7	R236	R236-G266 PolarHBondContact N-O 3.19Å
267	I	97.9	Very high	96.7	Very high	92 Å²	92	71.9 Å²	71.9	47%	0.472	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	127.5	172	-64.2	171.3	0	0	0	107.7	A233 V234 G269	A233-I267 HydrophobicContact CB-CD1 4.01Å; A233-I267 HydrophobicContact CB-CG1 4.19Å; A233-I267 HydrophobicContact CB-CG2 4.12Å; V234-I267 CarbonylContact O-C 3.57Å; V234-I267 WeakPolarHBondContact O-CA 3.2Å; I267-G269 WeakPolarHBondContact CG2-O 3.04Å
268	V	97.3	Very high	96.4	Very high	7 Å²	7	73.8 Å²	73.8	4%	0.042	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-16.4	178.3	-55.7	0	0	0	0	112.8	V234 R236 L247 V333 I335 Q348 I373	V234-V268 HydrophobicContact CB-CG2 3.8Å; V234-V268 HydrophobicContact CG1-CG2 3.65Å; V234-V268 PolarHBondContact O-N 2.93Å; R236-V268 HydrophobicContact CB-CG1 3.28Å; R236-V268 HydrophobicContact CG-CG1 4.25Å; L247-V268 HydrophobicContact CD2-CG2 4.31Å; V268-V333 WeakPolarHBondContact O-CG1 3.46Å; V268-I335 HydrophobicContact CG2-CD1 4.35Å; V268-Q348 HydrophobicContact CB-CB 4.38Å; V268-Q348 VanDerWaalsContact CB-CD 3.48Å; V268-Q348 HydrophobicContact CB-CG 4.15Å; V268-Q348 VanDerWaalsContact CG1-CD 3.48Å; V268-I373 HydrophobicContact CG2-CD1 4.21Å
269	G	97.9	Very high	96.2	Very high	1 Å²	1	69.8 Å²	69.8	1%	0.01	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.2	-156.3	176.7	0	0	0	0	0	110.3	V234 I267 W374	V234-G269 PolarHBondContact N-O 3.01Å; I267-G269 WeakPolarHBondContact CG2-O 3.04Å; G269-W374 CarbonylContact C-O 3.49Å; G269-W374 WeakPolarHBondContact CA-O 3.43Å
270	R	98.3	Very high	95.8	Very high	77 Å²	77	65.9 Å²	65.9	29%	0.291	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	143	-178.7	-63.6	-176.5	-73.1	178.2	-6.4	111.5	M231 M232 I373 W374 P375	M231-R270 HydrophobicContact CB-CB 4.44Å; M231-R270 HydrophobicContact CE-CB 3.68Å; M232-R270 CarbonylContact O-C 3.6Å; M232-R270 WeakPolarHBondContact O-CA 3.02Å; M232-R270 VanDerWaalsContact O-CB 3.28Å; M232-R270 WeakPolarHBondContact O-CB 3.38Å; R270-I373 WeakPolarHBondContact O-CB 3.49Å; R270-W374 PolarHBondContact N-O 3.01Å; R270-W374 PolarHBondContact O-N 2.98Å; R270-P375 PolarHBondContact NE-O 3.46Å; R270-P375 PolarHBondContact NH2-O 3.15Å
271	V	98.2	Very high	95.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	162.5	171.3	-69.8	0	0	0	0	110	M231 M232 V234 T249 Y321 A322 I373	M231-V271 WeakPolarHBondContact CA-O 3.27Å; M232-V271 HydrophobicContact CG-CG2 3.61Å; M232-V271 WeakPolarHBondContact CG-O 3.19Å; M232-V271 PolarHBondContact N-O 2.85Å; M232-V271 PolarHBondContact O-N 3.07Å; M232-V271 HydrophobicContact SD-CG2 4.03Å; V234-V271 HydrophobicContact CG2-CB 4.24Å; V234-V271 HydrophobicContact CG2-CG1 3.68Å; V234-V271 HydrophobicContact CG2-CG2 3.79Å; T249-V271 HydrophobicContact CG2-CG2 3.78Å; V271-Y321 WeakPolarHBondContact CB-O 3.42Å; V271-A322 HydrophobicContact CG1-CB 4.41Å; V271-I373 HydrophobicContact CG1-CB 4.28Å; V271-I373 HydrophobicContact CG1-CG2 3.59Å
272	S	97.8	Very high	95.5	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	139.1	171.8	-173.1	0	0	0	0	110.3	S274 G320 Y321	S272-S274 WeakPolarHBondContact CB-O 2.97Å; S272-S274 PolarHBondContact O-N 3.44Å; S272-S274 PolarHBondContact OG-O 2.85Å; S272-G320 CarbonylContact O-C 3.38Å; S272-G320 WeakPolarHBondContact O-CA 3.03Å; S272-Y321 PolarHBondContact N-O 2.88Å; S272-Y321 PolarHBondContact O-N 2.03Å
273	R	97.1	Very high	95.4	Very high	152 Å²	152	62.5 Å²	62.5	57%	0.574	31%	0.308	S	S	*	.	S	Bend	trans	-63.2	-31.5	175.1	-174.8	168.5	-69	130.6	-1.3	112.9	H230 M232	H230-R273 WeakPolarHBondContact O-CB 3.49Å; H230-R273 PolarHBondContact O-N 2.98Å; M232-R273 HydrophobicContact CE-CB 3.33Å; M232-R273 HydrophobicContact CE-CG 3.42Å; M232-R273 VanDerWaalsContact CE-CG 3.42Å
274	S	95.3	Very high	95.4	Very high	44 Å²	44	62 Å²	62	31%	0.308	30%	0.304	S	S	.	.	S	Bend	trans	-146.3	171.5	-172.9	62.2	0	0	0	0	110	S272	S272-S274 WeakPolarHBondContact CB-O 2.97Å; S272-S274 PolarHBondContact O-N 3.44Å; S272-S274 PolarHBondContact OG-O 2.85Å
275	E	94.1	Very high	95.4	Very high	140 Å²	140	57.7 Å²	57.7	65%	0.654	29%	0.288	S	S	*	.			trans	-55.7	151.9	163.3	-65.3	178	-160.1	0	0	111.3	Y321	E275-Y321 HydrophobicContact CG-CD1 4.1Å; E275-Y321 HydrophobicContact CG-CE1 3.7Å
276	D	92.2	Very high	95.4	Very high	24 Å²	24	54 Å²	54	13%	0.128	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-146.4	128.4	-177.2	-163.5	-46.8	0	0	0	109.5	P226 N227 H230 S278 C279 L282	P226-D276 HydrophobicContact CB-CB 3.91Å; N227-D276 WeakPolarHBondContact CB-OD2 3.44Å; N227-D276 PolarHBondContact N-OD2 2.91Å; H230-D276 IonicContact CE1-OD2 2.76Å; H230-D276 IonicContact ND1-OD2 3.65Å; H230-D276 PolarHBondContact ND1-OD2 3.26Å; D276-S278 PolarHBondContact O-N 3.29Å; D276-S278 WeakPolarHBondContact OD1-CB 3.2Å; D276-S278 PolarHBondContact OD1-N 3.27Å; D276-C279 CarbonylContact O-C 3.55Å; D276-C279 PolarHBondContact O-N 3.17Å; D276-C279 VanDerWaalsContact O-O 3.05Å; D276-L282 HydrophobicContact CB-CD1 3.73Å; D276-L282 VanDerWaalsContact N-CD1 3.29Å
277	K	90.7	Very high	95.3	Very high	208 Å²	208	54 Å²	54	90%	0.904	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-24.4	-178.6	-66	-179	174.7	177.5	0	112.9	C279	K277-C279 PolarHBondContact O-N 3.46Å
278	S	91.3	Very high	95	Very high	63 Å²	63	49.6 Å²	49.6	44%	0.441	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-25.6	174.4	-69.2	0	0	0	0	112.4	N223 G224 K225 D276	N223-S278 WeakPolarHBondContact CB-O 3.45Å; G224-S278 PolarHBondContact N-O 2.85Å; G224-S278 VanDerWaalsContact N-O 3.13Å; G224-S278 CarbonylContact O-C 3.51Å; K225-S278 WeakPolarHBondContact O-CB 3.42Å; D276-S278 PolarHBondContact O-N 3.29Å; D276-S278 WeakPolarHBondContact OD1-CB 3.2Å; D276-S278 PolarHBondContact OD1-N 3.27Å
279	C	92.8	Very high	94.6	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.007	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-130.6	86.9	177.6	-176.2	0	0	0	0	111.5	G224 P226 D276 K277 H281 L282 C329	G224-C279 WeakPolarHBondContact O-CB 3.5Å; P226-C279 HydrophobicContact CG-CB 4.03Å; D276-C279 CarbonylContact O-C 3.55Å; D276-C279 PolarHBondContact O-N 3.17Å; D276-C279 VanDerWaalsContact O-O 3.05Å; K277-C279 PolarHBondContact O-N 3.46Å; C279-H281 PolarHBondContact O-N 3.42Å; C279-L282 HydrophobicContact CB-CD1 4.17Å; C279-L282 HydrophobicContact CB-CG 3.95Å; C279-L282 WeakPolarHBondContact O-CG 3.49Å; C279-L282 PolarHBondContact O-N 3.46Å; C279-C329 WeakPolarHBondContact CA-SG 3.38Å; C279-C329 HydrophobicContact CB-CB 3.64Å; C279-C329 WeakPolarHBondContact CB-SG 3.43Å; C279-C329 WeakPolarHBondContact SG-CB 3.35Å; C279-C329 CovalentContact SG-SG 2.01Å; C279-C329 PolarHBondContact SG-SG 3.11Å
280	P	91.2	Very high	93.7	Very high	89 Å²	89	52.6 Å²	52.6	58%	0.578	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	3.6	178.2	31.8	-37.5	0	0	0	113.8	N223	N223-P280 WeakPolarHBondContact ND2-CD 3.33Å; N223-P280 WeakPolarHBondContact ND2-CG 3.2Å
281	H	91.1	Very high	92.7	Very high	81 Å²	81	52.5 Å²	52.5	38%	0.375	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.1	9	178.8	-56	-59.7	0	0	0	112.8	N223 C279 V323 I328	N223-H281 PolarHBondContact ND2-CD2 3.31Å; N223-H281 PolarHBondContact ND2-NE2 3.06Å; C279-H281 PolarHBondContact O-N 3.42Å; H281-V323 HydrophobicContact CB-CG1 4.46Å; H281-I328 HydrophobicContact CB-CG2 3.45Å; H281-I328 VanDerWaalsContact CB-CG2 3.45Å
282	L	95.1	Very high	91.4	Very high	22 Å²	22	55.8 Å²	55.8	12%	0.115	28%	0.281	C	S	.	.			trans	-63.8	134.6	176	-76.8	170.3	0	0	0	110.5	P226 D276 C279 Y321 A322 W374	P226-L282 HydrophobicContact CG-CD1 4.11Å; P226-L282 HydrophobicContact CG-CD2 4.03Å; P226-L282 HydrophobicContact CG-CG 4.47Å; D276-L282 HydrophobicContact CB-CD1 3.73Å; D276-L282 VanDerWaalsContact N-CD1 3.29Å; C279-L282 HydrophobicContact CB-CD1 4.17Å; C279-L282 HydrophobicContact CB-CG 3.95Å; C279-L282 WeakPolarHBondContact O-CG 3.49Å; C279-L282 PolarHBondContact O-N 3.46Å; L282-Y321 HydrophobicContact CB-CD1 4.42Å; L282-A322 CarbonylContact C-O 3.58Å; L282-A322 WeakPolarHBondContact CA-O 3.49Å; L282-W374 HydrophobicContact CD2-CH2 3.55Å; L282-W374 HydrophobicContact CD2-CZ2 4.5Å; L282-W374 HydrophobicContact CD2-CZ3 4.22Å
283	M	95.6	Very high	90.2	Very high	49 Å²	49	56.6 Å²	56.6	24%	0.241	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	140.2	176.4	-60.5	-179.9	-60.1	0	0	108.8	S300 Y321 A322 A324	M283-S300 WeakPolarHBondContact CE-OG 3.48Å; M283-Y321 CarbonylContact O-C 3.57Å; M283-Y321 VanDerWaalsContact O-CA 3.26Å; M283-Y321 WeakPolarHBondContact O-CA 3.35Å; M283-A322 PolarHBondContact N-O 3.01Å; M283-A322 PolarHBondContact O-N 3.48Å; M283-A324 HydrophobicContact CE-CB 3.61Å
284	P	97.5	Very high	89.4	Confident	43 Å²	43	53 Å²	53	28%	0.279	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	137.6	175.2	27.4	-34.5	0	0	0	110.4	H286 S300 V318 Y321	P284-H286 VanDerWaalsContact CG-NE2 3.35Å; P284-H286 WeakPolarHBondContact CG-NE2 3.03Å; P284-S300 VanDerWaalsContact O-CA 3.25Å; P284-S300 WeakPolarHBondContact O-CA 3.42Å; P284-V318 HydrophobicContact CB-CB 4.47Å; P284-V318 HydrophobicContact CB-CG1 3.79Å; P284-V318 HydrophobicContact CB-CG2 3.76Å; P284-Y321 HydrophobicContact CB-CD1 4.31Å; P284-Y321 HydrophobicContact CB-CE1 4.06Å
285	V	97.9	Very high	89	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	104.5	168.8	-176.7	0	0	0	0	107.5	V318 I319 G320 A322 F371	V285-V318 WeakPolarHBondContact O-CA 3.41Å; V285-I319 HydrophobicContact CB-CD1 4.46Å; V285-I319 HydrophobicContact CB-CG1 3.88Å; V285-I319 HydrophobicContact CG1-CD1 3.92Å; V285-I319 HydrophobicContact CG1-CG1 3.79Å; V285-I319 PolarHBondContact O-N 3.38Å; V285-G320 PolarHBondContact N-O 3.21Å; V285-A322 HydrophobicContact CG2-CB 3.4Å; V285-F371 HydrophobicContact CG1-CD1 4.18Å; V285-F371 HydrophobicContact CG1-CE1 3.65Å; V285-F371 HydrophobicContact CG1-CE2 4.22Å; V285-F371 HydrophobicContact CG1-CZ 3.67Å; V285-F371 HydrophobicContact CG2-CD1 4.44Å; V285-F371 HydrophobicContact CG2-CD2 4.11Å; V285-F371 HydrophobicContact CG2-CE2 4.21Å; V285-F371 HydrophobicContact CG2-CG 4.24Å; V285-F371 HydrophobicContact CG2-CZ 4.45Å
286	H	96.2	Very high	88.9	Confident	24 Å²	24	45.6 Å²	45.6	11%	0.111	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	135.6	178.5	-65.3	-88.2	0	0	0	110.4	P284 M288 Y298 T299 Y305 G317	P284-H286 VanDerWaalsContact CG-NE2 3.35Å; P284-H286 WeakPolarHBondContact CG-NE2 3.03Å; H286-M288 HydrophobicContact CB-CE 4.34Å; H286-Y298 CarbonylContact O-C 3.5Å; H286-Y298 VanDerWaalsContact O-CA 3.24Å; H286-Y298 WeakPolarHBondContact O-CA 3.48Å; H286-T299 PolarHBondContact N-O 3.13Å; H286-T299 PolarHBondContact O-N 2.79Å; H286-Y305 HydrophobicContact CB-CD2 3.42Å; H286-Y305 VanDerWaalsContact CB-CD2 3.42Å; H286-Y305 HydrophobicContact CB-CE2 3.67Å; H286-Y305 HydrophobicContact CB-CG 4.23Å; H286-Y305 AromaticContact CD2-CD2 3.85Å; H286-Y305 AromaticContact CD2-CG 3.83Å; H286-Y305 AromaticContact CE1-CE1 3.65Å; H286-Y305 AromaticContact CE1-CE2 3.85Å; H286-Y305 AromaticContact CE1-CZ 3.54Å; H286-Y305 AromaticContact CG-CD2 3.34Å; H286-Y305 AromaticContact CG-CE2 3.43Å; H286-Y305 VanDerWaalsContact CG-CE2 3.43Å; H286-Y305 AromaticContact CG-CG 3.81Å; H286-Y305 AromaticContact CG-CZ 3.95Å; H286-Y305 AromaticContact ND1-CD2 3.61Å; H286-Y305 AromaticContact ND1-CE1 3.86Å; H286-Y305 AromaticContact ND1-CE2 3.18Å; H286-Y305 WeakPolarHBondContact ND1-CE2 3.47Å; H286-Y305 AromaticContact ND1-CZ 3.31Å; H286-Y305 VanDerWaalsContact ND1-CZ 3.31Å; H286-G317 CarbonylContact C-O 3.58Å; H286-G317 WeakPolarHBondContact CA-O 3.43Å
287	H	95.9	Very high	88.9	Confident	17 Å²	17	44.4 Å²	44.4	8%	0.079	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	118.5	169.8	174.1	-159.4	0	0	0	108.4	D296 Y298 F316 G317 I319	H287-D296 IonicContact CD2-OD1 2.79Å; H287-D296 IonicContact CE1-OD1 3.75Å; H287-D296 IonicContact NE2-OD1 3.79Å; H287-D296 PolarHBondContact NE2-OD1 3.36Å; H287-Y298 HydrophobicContact CB-CD1 3.74Å; H287-Y298 HydrophobicContact CB-CE1 3.52Å; H287-Y298 AromaticContact CD2-CE1 3.44Å; H287-Y298 VanDerWaalsContact CD2-CE1 3.44Å; H287-Y298 WeakPolarHBondContact CD2-CE1 3.44Å; H287-Y298 AromaticContact CD2-CZ 3.54Å; H287-Y298 AromaticContact CG-CE1 3.32Å; H287-Y298 AromaticContact CG-CZ 3.86Å; H287-Y298 AromaticContact ND1-CE1 3.89Å; H287-Y298 AromaticContact NE2-CZ 3.82Å; H287-Y298 PolarHBondContact NE2-OH 3.23Å; H287-F316 HydrophobicContact CB-CB 4.12Å; H287-F316 AromaticContact CE1-CD2 3.75Å; H287-F316 AromaticContact CE1-CG 3.8Å; H287-F316 WeakPolarHBondContact ND1-CB 3Å; H287-F316 AromaticContact ND1-CG 3.87Å; H287-F316 AromaticContact NE2-CD2 3.76Å; H287-F316 WeakPolarHBondContact O-CA 3.49Å; H287-F316 WeakPolarHBondContact O-CB 3.35Å; H287-F316 PolarHBondContact O-N 3.25Å; H287-G317 PolarHBondContact N-O 3.36Å; H287-I319 HydrophobicContact CB-CG2 3.78Å
288	M	92.4	Very high	89.1	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	158.9	172.4	69.5	-164.6	73.1	0	0	110.5	H286 Y297 T299 Y305 R308 Q314	H286-M288 HydrophobicContact CB-CE 4.34Å; M288-Y297 HydrophobicContact CE-CD1 4.11Å; M288-Y297 HydrophobicContact CG-CD1 4.01Å; M288-Y297 PolarHBondContact N-O 2.97Å; M288-Y297 PolarHBondContact O-N 3.41Å; M288-Y297 HydrophobicContact SD-CD1 3.75Å; M288-Y297 HydrophobicContact SD-CE1 4.47Å; M288-T299 HydrophobicContact CE-CG2 3.6Å; M288-Y305 HydrophobicContact CE-CD2 3.62Å; M288-Y305 HydrophobicContact CE-CE2 4.45Å; M288-Y305 HydrophobicContact CE-CG 4.49Å; M288-R308 HydrophobicContact SD-CB 3.86Å; M288-Q314 CarbonylContact C-O 3.15Å; M288-Q314 WeakPolarHBondContact CA-O 3.44Å; M288-Q314 WeakPolarHBondContact CB-O 3.48Å
289	Y	89	Confident	89.2	Confident	69 Å²	69	31.6 Å²	31.6	27%	0.271	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	123	164.9	-177.3	-90.1	0	0	0	109.2	D291 A313 Q314	Y289-D291 WeakPolarHBondContact CD1-OD1 3.29Å; Y289-D291 VanDerWaalsContact CE1-OD1 3.3Å; Y289-D291 WeakPolarHBondContact CE1-OD1 3.34Å; Y289-A313 WeakPolarHBondContact O-CA 3.49Å; Y289-A313 WeakPolarHBondContact O-CB 3.34Å; Y289-Q314 PolarHBondContact N-O 2.03Å; Y289-Q314 PolarHBondContact O-N 2.84Å
290	S	77.4	Confident	89.3	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	115.5	175.9	172.9	0	0	0	0	109.4	D105 T292 F293 S294 G295	D105-S290 PolarHBondContact OD2-OG 3.35Å; S290-T292 VanDerWaalsContact C-N 3.29Å; S290-T292 PolarHBondContact O-N 3.1Å; S290-T292 PolarHBondContact OG-N 2.86Å; S290-F293 PolarHBondContact O-N 2.75Å; S290-F293 WeakPolarHBondContact OG-CD2 3.04Å; S290-F293 PolarHBondContact OG-N 2.94Å; S290-S294 WeakPolarHBondContact O-CA 3.01Å; S290-S294 PolarHBondContact O-N 2.68Å; S290-G295 PolarHBondContact N-O 3.12Å; S290-G295 PolarHBondContact O-N 2.86Å
291	D	77.1	Confident	89.3	Confident	75 Å²	75	27.6 Å²	27.6	40%	0.401	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-38.6	172.9	-70.4	-34.6	0	0	0	111.1	Y289 F293 S294	Y289-D291 WeakPolarHBondContact CD1-OD1 3.29Å; Y289-D291 VanDerWaalsContact CE1-OD1 3.3Å; Y289-D291 WeakPolarHBondContact CE1-OD1 3.34Å; D291-F293 PolarHBondContact O-N 3.35Å; D291-S294 PolarHBondContact O-N 3.23Å
292	T	70.9	Confident	89.4	Confident	68 Å²	68	30.2 Å²	30.2	42%	0.417	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-41	175.1	-49.2	0	0	0	0	112.5	D105 S290	D105-T292 WeakPolarHBondContact OD2-CB 3.3Å; D105-T292 PolarHBondContact OD2-OG1 3.01Å; S290-T292 VanDerWaalsContact C-N 3.29Å; S290-T292 PolarHBondContact O-N 3.1Å; S290-T292 PolarHBondContact OG-N 2.86Å
293	F	72.5	Confident	89	Confident	17 Å²	17	30.5 Å²	30.5	8%	0.075	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107	-0.2	-175.1	-53.5	-51	0	0	0	113.3	S290 D291 G295 Y339 G343 I344	S290-F293 PolarHBondContact O-N 2.75Å; S290-F293 WeakPolarHBondContact OG-CD2 3.04Å; S290-F293 PolarHBondContact OG-N 2.94Å; D291-F293 PolarHBondContact O-N 3.35Å; F293-G295 VanDerWaalsContact C-N 3.25Å; F293-G295 PolarHBondContact O-N 3.43Å; F293-Y339 HydrophobicContact CB-CE2 4.32Å; F293-Y339 HydrophobicContact CD1-CD2 4.13Å; F293-Y339 AromaticContact CD1-CE2 3.1Å; F293-Y339 HydrophobicContact CD1-CE2 3.1Å; F293-Y339 AromaticContact CD1-CZ 3.61Å; F293-Y339 WeakPolarHBondContact CD1-OH 3.31Å; F293-Y339 HydrophobicContact CE1-CD2 4.19Å; F293-Y339 AromaticContact CE1-CE2 3.31Å; F293-Y339 HydrophobicContact CE1-CE2 3.31Å; F293-Y339 AromaticContact CE1-CZ 3.57Å; F293-Y339 WeakPolarHBondContact CE1-OH 3.45Å; F293-Y339 AromaticContact CG-CE2 3.77Å; F293-Y339 HydrophobicContact CG-CE2 3.77Å; F293-Y339 HydrophobicContact CZ-CE2 4.19Å; F293-G343 WeakPolarHBondContact O-CA 3.39Å; F293-I344 HydrophobicContact CB-CD1 4.14Å; F293-I344 HydrophobicContact CB-CG1 4.2Å; F293-I344 HydrophobicContact CD2-CD1 3.79Å; F293-I344 HydrophobicContact CG-CD1 4.18Å
294	S	80.2	Confident	88.7	Confident	78 Å²	78	28.1 Å²	28.1	55%	0.545	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.3	46.5	-177.1	-60	0	0	0	0	112.5	S290 D291	S290-S294 WeakPolarHBondContact O-CA 3.01Å; S290-S294 PolarHBondContact O-N 2.68Å; D291-S294 PolarHBondContact O-N 3.23Å
295	G	87.3	Confident	88.4	Confident	6 Å²	6	27.8 Å²	27.8	6%	0.062	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	159.7	-175.5	0	0	0	0	0	115.1	S290 F293	S290-G295 PolarHBondContact N-O 3.12Å; S290-G295 PolarHBondContact O-N 2.86Å; F293-G295 VanDerWaalsContact C-N 3.25Å; F293-G295 PolarHBondContact O-N 3.43Å
296	D	92.7	Very high	88	Confident	21 Å²	21	31.1 Å²	31.1	11%	0.112	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	135.3	173.9	-58.1	-97.6	0	0	0	111.4	L246 H287 Y298	L246-D296 HydrophobicContact CD2-CB 3.98Å; L246-D296 WeakPolarHBondContact CD2-OD1 3.28Å; L246-D296 WeakPolarHBondContact CD2-OD2 3.41Å; H287-D296 IonicContact CD2-OD1 2.79Å; H287-D296 IonicContact CE1-OD1 3.75Å; H287-D296 IonicContact NE2-OD1 3.79Å; H287-D296 PolarHBondContact NE2-OD1 3.36Å; D296-Y298 HydrophobicContact CB-CE2 3.94Å
297	Y	92	Very high	87.3	Confident	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	130.3	-178.7	-177.8	-115.7	0	0	0	110.4	M288 T299 I304 R308 E337 I344	M288-Y297 HydrophobicContact CE-CD1 4.11Å; M288-Y297 HydrophobicContact CG-CD1 4.01Å; M288-Y297 PolarHBondContact N-O 2.97Å; M288-Y297 PolarHBondContact O-N 3.41Å; M288-Y297 HydrophobicContact SD-CD1 3.75Å; M288-Y297 HydrophobicContact SD-CE1 4.47Å; Y297-T299 HydrophobicContact CD1-CG2 4.27Å; Y297-T299 HydrophobicContact CE1-CG2 3.73Å; Y297-I304 HydrophobicContact CE1-CG2 3.8Å; Y297-R308 VanDerWaalsContact CE1-NH1 3.32Å; Y297-E337 WeakPolarHBondContact CE2-OE2 3.37Å; Y297-I344 HydrophobicContact CD2-CD1 3.46Å; Y297-I344 VanDerWaalsContact CD2-CD1 3.46Å; Y297-I344 HydrophobicContact CD2-CG2 4.22Å; Y297-I344 HydrophobicContact CE2-CD1 4.18Å; Y297-I344 HydrophobicContact CG-CD1 4.05Å
298	Y	95.3	Very high	86.7	Confident	1 Å²	1	29.8 Å²	29.8	0%	0.004	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.5	-178.3	-58.2	-90.2	0	0	0	110.2	L246 L247 H286 H287 D296 I319 Q346	L246-Y298 WeakPolarHBondContact CA-OH 3.47Å; L247-Y298 HydrophobicContact CB-CD1 4.1Å; L247-Y298 HydrophobicContact CB-CD2 4.1Å; L247-Y298 HydrophobicContact CB-CE1 3.87Å; L247-Y298 HydrophobicContact CB-CE2 3.9Å; L247-Y298 HydrophobicContact CB-CG 4.21Å; L247-Y298 HydrophobicContact CD1-CD2 3.92Å; L247-Y298 HydrophobicContact CD1-CE2 4.47Å; L247-Y298 HydrophobicContact CD1-CG 3.98Å; L247-Y298 HydrophobicContact CG-CD2 3.92Å; L247-Y298 HydrophobicContact CG-CE2 3.96Å; L247-Y298 HydrophobicContact CG-CG 4.31Å; L247-Y298 PolarHBondContact N-OH 3.28Å; L247-Y298 WeakPolarHBondContact O-CE1 3.4Å; L247-Y298 PolarHBondContact O-OH 3.48Å; H286-Y298 CarbonylContact O-C 3.5Å; H286-Y298 VanDerWaalsContact O-CA 3.24Å; H286-Y298 WeakPolarHBondContact O-CA 3.48Å; H287-Y298 HydrophobicContact CB-CD1 3.74Å; H287-Y298 HydrophobicContact CB-CE1 3.52Å; H287-Y298 AromaticContact CD2-CE1 3.44Å; H287-Y298 VanDerWaalsContact CD2-CE1 3.44Å; H287-Y298 WeakPolarHBondContact CD2-CE1 3.44Å; H287-Y298 AromaticContact CD2-CZ 3.54Å; H287-Y298 AromaticContact CG-CE1 3.32Å; H287-Y298 AromaticContact CG-CZ 3.86Å; H287-Y298 AromaticContact ND1-CE1 3.89Å; H287-Y298 AromaticContact NE2-CZ 3.82Å; H287-Y298 PolarHBondContact NE2-OH 3.23Å; D296-Y298 HydrophobicContact CB-CE2 3.94Å; Y298-I319 HydrophobicContact CD1-CD1 3.71Å; Y298-I319 HydrophobicContact CD1-CG1 4.4Å; Y298-I319 HydrophobicContact CD1-CG2 4.46Å; Y298-I319 HydrophobicContact CE1-CD1 4.08Å; Y298-I319 HydrophobicContact CE1-CG2 4.18Å; Y298-Q346 PolarHBondContact O-NE2 3.42Å
299	T	93.6	Very high	86.1	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	141.1	-178.7	-173	0	0	0	0	112.3	H286 M288 Y297 D301	H286-T299 PolarHBondContact N-O 3.13Å; H286-T299 PolarHBondContact O-N 2.79Å; M288-T299 HydrophobicContact CE-CG2 3.6Å; Y297-T299 HydrophobicContact CD1-CG2 4.27Å; Y297-T299 HydrophobicContact CE1-CG2 3.73Å; T299-D301 VanDerWaalsContact OG1-CB 3.27Å; T299-D301 WeakPolarHBondContact OG1-CB 3.29Å; T299-D301 PolarHBondContact OG1-N 2.83Å
300	S	94.1	Very high	85.2	Confident	6 Å²	6	35 Å²	35	4%	0.042	19%	0.192	C	C	.	.			trans	-99.1	6.7	164.9	71.8	0	0	0	0	112.8	M283 P284 E302	M283-S300 WeakPolarHBondContact CE-OG 3.48Å; P284-S300 VanDerWaalsContact O-CA 3.25Å; P284-S300 WeakPolarHBondContact O-CA 3.42Å; S300-E302 PolarHBondContact O-N 2.72Å
301	D	92.4	Very high	84.6	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	20%	0.202	C	C	.	.			trans	-87.7	105.5	178.9	-165.5	-44.2	0	0	0	110.3	N37 L39 Q40 R43 T299 M303 I304 Y305	N37-D301 PolarHBondContact ND2-OD1 3.41Å; L39-D301 HydrophobicContact CD2-CB 3.71Å; Q40-D301 WeakPolarHBondContact CG-OD2 3.44Å; Q40-D301 PolarHBondContact NE2-OD2 3.49Å; R43-D301 IonicContact NH1-OD2 3.84Å; R43-D301 PolarHBondContact NH1-OD2 2.75Å; T299-D301 VanDerWaalsContact OG1-CB 3.27Å; T299-D301 WeakPolarHBondContact OG1-CB 3.29Å; T299-D301 PolarHBondContact OG1-N 2.83Å; D301-M303 VanDerWaalsContact C-N 3.27Å; D301-M303 PolarHBondContact O-N 2.88Å; D301-M303 WeakPolarHBondContact OD1-CB 3.01Å; D301-M303 PolarHBondContact OD1-N 2.91Å; D301-I304 HydrophobicContact CB-CB 4.08Å; D301-I304 HydrophobicContact CB-CG1 3.98Å; D301-I304 PolarHBondContact O-N 3.3Å; D301-I304 PolarHBondContact OD1-N 3.46Å; D301-Y305 WeakPolarHBondContact O-CB 3.44Å; D301-Y305 PolarHBondContact O-N 2.87Å
302	E	91.3	Very high	84.1	Confident	135 Å²	135	42 Å²	42	63%	0.631	22%	0.22	S	C	*	.	H	α-helix	trans	-59.3	-35.3	-178.8	-175.1	179.3	-173.6	0	0	112.9	S300 Y305 N306	S300-E302 PolarHBondContact O-N 2.72Å; E302-Y305 PolarHBondContact O-N 3.13Å; E302-N306 WeakPolarHBondContact CG-ND2 3.28Å; E302-N306 VanDerWaalsContact O-CB 3.3Å; E302-N306 WeakPolarHBondContact O-CB 3.35Å; E302-N306 VanDerWaalsContact O-CG 3.31Å; E302-N306 PolarHBondContact O-N 2.77Å; E302-N306 PolarHBondContact O-ND2 2.99Å
303	M	88.7	Confident	84.3	Confident	28 Å²	28	39.4 Å²	39.4	14%	0.138	21%	0.205	C	C	.	.	H	α-helix	trans	-67.1	-42.2	179.2	-172.8	-166.6	83.5	0	0	110.6	F36 N37 Q40 V106 M157 D301 G307	F36-M303 HydrophobicContact CD1-CE 3.72Å; F36-M303 HydrophobicContact CD1-SD 3.8Å; F36-M303 HydrophobicContact CE1-CE 3.89Å; F36-M303 HydrophobicContact CE1-SD 4.35Å; N37-M303 WeakPolarHBondContact ND2-CB 3.49Å; Q40-M303 HydrophobicContact CG-CE 3.71Å; Q40-M303 HydrophobicContact CG-SD 4.35Å; V106-M303 HydrophobicContact CG1-CE 4.05Å; M157-M303 HydrophobicContact CE-CE 4.13Å; M157-M303 HydrophobicContact CE-SD 4.18Å; D301-M303 VanDerWaalsContact C-N 3.27Å; D301-M303 PolarHBondContact O-N 2.88Å; D301-M303 WeakPolarHBondContact OD1-CB 3.01Å; D301-M303 PolarHBondContact OD1-N 2.91Å; M303-G307 PolarHBondContact O-N 2.92Å
304	I	88.7	Confident	85	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-70.7	-41.5	177.2	-57.9	-57.3	0	0	0	110.7	V106 T108 Y297 D301 G307 R308	V106-I304 HydrophobicContact CG1-CD1 4.18Å; T108-I304 HydrophobicContact CG2-CD1 3.79Å; T108-I304 HydrophobicContact CG2-CG1 4.17Å; Y297-I304 HydrophobicContact CE1-CG2 3.8Å; D301-I304 HydrophobicContact CB-CB 4.08Å; D301-I304 HydrophobicContact CB-CG1 3.98Å; D301-I304 PolarHBondContact O-N 3.3Å; D301-I304 PolarHBondContact OD1-N 3.46Å; I304-G307 PolarHBondContact O-N 2.79Å; I304-R308 HydrophobicContact CG2-CG 4.33Å; I304-R308 WeakPolarHBondContact O-CB 3.34Å; I304-R308 VanDerWaalsContact O-CG 3.3Å; I304-R308 WeakPolarHBondContact O-CG 3.32Å; I304-R308 PolarHBondContact O-N 3.12Å
305	Y	90.7	Very high	85.4	Confident	36 Å²	36	43.6 Å²	43.6	14%	0.141	22%	0.219	C	C	.	.	H	α-helix	trans	-58.5	-57.1	176.6	171.3	-105.8	0	0	0	111.8	H286 M288 D301 E302 G307 R308 I309 D315	H286-Y305 HydrophobicContact CB-CD2 3.42Å; H286-Y305 VanDerWaalsContact CB-CD2 3.42Å; H286-Y305 HydrophobicContact CB-CE2 3.67Å; H286-Y305 HydrophobicContact CB-CG 4.23Å; H286-Y305 AromaticContact CD2-CD2 3.85Å; H286-Y305 AromaticContact CD2-CG 3.83Å; H286-Y305 AromaticContact CE1-CE1 3.65Å; H286-Y305 AromaticContact CE1-CE2 3.85Å; H286-Y305 AromaticContact CE1-CZ 3.54Å; H286-Y305 AromaticContact CG-CD2 3.34Å; H286-Y305 AromaticContact CG-CE2 3.43Å; H286-Y305 VanDerWaalsContact CG-CE2 3.43Å; H286-Y305 AromaticContact CG-CG 3.81Å; H286-Y305 AromaticContact CG-CZ 3.95Å; H286-Y305 AromaticContact ND1-CD2 3.61Å; H286-Y305 AromaticContact ND1-CE1 3.86Å; H286-Y305 AromaticContact ND1-CE2 3.18Å; H286-Y305 WeakPolarHBondContact ND1-CE2 3.47Å; H286-Y305 AromaticContact ND1-CZ 3.31Å; H286-Y305 VanDerWaalsContact ND1-CZ 3.31Å; M288-Y305 HydrophobicContact CE-CD2 3.62Å; M288-Y305 HydrophobicContact CE-CE2 4.45Å; M288-Y305 HydrophobicContact CE-CG 4.49Å; D301-Y305 WeakPolarHBondContact O-CB 3.44Å; D301-Y305 PolarHBondContact O-N 2.87Å; E302-Y305 PolarHBondContact O-N 3.13Å; Y305-G307 PolarHBondContact O-N 2.82Å; Y305-R308 PolarHBondContact O-N 2.78Å; Y305-I309 PolarHBondContact O-N 3.01Å; Y305-D315 PolarHBondContact OH-OD2 2.89Å
306	N	88.6	Confident	85.7	Confident	69 Å²	69	48.5 Å²	48.5	37%	0.369	24%	0.239	S	C	.	.	H	α-helix	trans	-62.3	-33.9	179	-70.3	-22.8	0	0	0	111.9	E302 N310	E302-N306 WeakPolarHBondContact CG-ND2 3.28Å; E302-N306 VanDerWaalsContact O-CB 3.3Å; E302-N306 WeakPolarHBondContact O-CB 3.35Å; E302-N306 VanDerWaalsContact O-CG 3.31Å; E302-N306 PolarHBondContact O-N 2.77Å; E302-N306 PolarHBondContact O-ND2 2.99Å; N306-N310 PolarHBondContact O-ND2 2.96Å
307	G	83	Confident	85.8	Confident	13 Å²	13	48.6 Å²	48.6	13%	0.134	25%	0.245	C	C	.	.	H	α-helix	trans	-66.9	-32.1	177.7	0	0	0	0	0	114.8	M303 I304 Y305	M303-G307 PolarHBondContact O-N 2.92Å; I304-G307 PolarHBondContact O-N 2.79Å; Y305-G307 PolarHBondContact O-N 2.82Å
308	R	83.4	Confident	86	Confident	1 Å²	1	51.8 Å²	51.8	0%	0.004	26%	0.264	C	S	.	.	H	α-helix	trans	-96.6	-37.1	-174.9	-68.4	-175.1	-178	-168.2	-3.6	112.9	D105 E111 M288 Y297 I304 Y305 N310 R311 A313	D105-R308 HydrophobicContact CB-CG 3.92Å; E111-R308 IonicContact OE1-NH2 3.15Å; E111-R308 PolarHBondContact OE1-NH2 3.25Å; E111-R308 IonicContact OE2-NH2 3.26Å; M288-R308 HydrophobicContact SD-CB 3.86Å; Y297-R308 VanDerWaalsContact CE1-NH1 3.32Å; I304-R308 HydrophobicContact CG2-CG 4.33Å; I304-R308 WeakPolarHBondContact O-CB 3.34Å; I304-R308 VanDerWaalsContact O-CG 3.3Å; I304-R308 WeakPolarHBondContact O-CG 3.32Å; I304-R308 PolarHBondContact O-N 3.12Å; Y305-R308 PolarHBondContact O-N 2.78Å; R308-N310 VanDerWaalsContact C-N 3.25Å; R308-N310 PolarHBondContact O-N 2.96Å; R308-R311 PolarHBondContact O-N 2.95Å; R308-A313 WeakPolarHBondContact O-CB 3.23Å
309	I	79.6	Confident	86.2	Confident	42 Å²	42	52.6 Å²	52.6	22%	0.215	27%	0.268	C	S	.	.	H	α-helix	trans	-67.1	-27.2	-177.7	-157.1	68.7	0	0	0	113.7	Y305 R311 A313 D315	Y305-I309 PolarHBondContact O-N 3.01Å; I309-R311 PolarHBondContact O-N 2.83Å; I309-R311 VanDerWaalsContact O-N 3.11Å; I309-A313 VanDerWaalsContact CD1-O 3.24Å; I309-A313 WeakPolarHBondContact CD1-O 3.16Å; I309-D315 HydrophobicContact CD1-CB 3.42Å; I309-D315 VanDerWaalsContact CD1-CB 3.42Å; I309-D315 HydrophobicContact CG1-CB 4.3Å
310	N	69	Low	86.4	Confident	137 Å²	137	52.7 Å²	52.7	73%	0.733	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.8	1.1	174.9	-71.5	-42.3	0	0	0	113.6	N306 R308	N306-N310 PolarHBondContact O-ND2 2.96Å; R308-N310 VanDerWaalsContact C-N 3.25Å; R308-N310 PolarHBondContact O-N 2.96Å
311	R	65.7	Low	86.6	Confident	58 Å²	58	54.8 Å²	54.8	22%	0.219	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-135.2	46.8	-168.5	-68.4	-176.6	165	-179.2	-7.2	113.7	F102 H104 Y171 R308 I309 A313	F102-R311 PolarHBondContact O-NH1 3.2Å; F102-R311 VanDerWaalsContact O-NH1 3.11Å; F102-R311 PolarHBondContact O-NH2 3.3Å; H104-R311 PolarHBondContact O-NH1 3.49Å; Y171-R311 PolarHBondContact OH-NH1 3.5Å; Y171-R311 PolarHBondContact OH-NH2 3.22Å; R308-R311 PolarHBondContact O-N 2.95Å; I309-R311 PolarHBondContact O-N 2.83Å; I309-R311 VanDerWaalsContact O-N 3.11Å; R311-A313 PolarHBondContact O-N 2.84Å
312	E	66.3	Low	86.8	Confident	166 Å²	166	54.7 Å²	54.7	78%	0.776	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	-11.6	172.3	-47	171	170.3	0	0	115.6	Q314	E312-Q314 PolarHBondContact O-N 3.27Å
313	A	75.3	Confident	86.9	Confident	12 Å²	12	48.3 Å²	48.3	10%	0.099	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-55.5	130.7	171.9	0	0	0	0	0	110.7	Y289 R308 I309 R311	Y289-A313 WeakPolarHBondContact O-CA 3.49Å; Y289-A313 WeakPolarHBondContact O-CB 3.34Å; R308-A313 WeakPolarHBondContact O-CB 3.23Å; I309-A313 VanDerWaalsContact CD1-O 3.24Å; I309-A313 WeakPolarHBondContact CD1-O 3.16Å; R311-A313 PolarHBondContact O-N 2.84Å
314	Q	86.4	Confident	87	Confident	108 Å²	108	48.5 Å²	48.5	51%	0.505	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	125	178.1	-61.8	179	26.6	0	0	109.5	M288 Y289 E312 F316	M288-Q314 CarbonylContact C-O 3.15Å; M288-Q314 WeakPolarHBondContact CA-O 3.44Å; M288-Q314 WeakPolarHBondContact CB-O 3.48Å; Y289-Q314 PolarHBondContact N-O 2.03Å; Y289-Q314 PolarHBondContact O-N 2.84Å; E312-Q314 PolarHBondContact O-N 3.27Å; Q314-F316 HydrophobicContact CB-CE2 3.93Å; Q314-F316 HydrophobicContact CB-CZ 4.07Å
315	D	90.2	Very high	86.8	Confident	75 Å²	75	49.1 Å²	49.1	40%	0.401	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127.3	174.3	-158.7	-2.8	0	0	0	111.1	Y305 I309 G317	Y305-D315 PolarHBondContact OH-OD2 2.89Å; I309-D315 HydrophobicContact CD1-CB 3.42Å; I309-D315 VanDerWaalsContact CD1-CB 3.42Å; I309-D315 HydrophobicContact CG1-CB 4.3Å; D315-G317 WeakPolarHBondContact OD1-CA 3.33Å; D315-G317 PolarHBondContact OD1-N 2.83Å
316	F	93.4	Very high	86.6	Confident	110 Å²	110	50 Å²	50	48%	0.482	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	5	169.5	-61.2	-79.9	0	0	0	112.2	H287 Q314	H287-F316 HydrophobicContact CB-CB 4.12Å; H287-F316 AromaticContact CE1-CD2 3.75Å; H287-F316 AromaticContact CE1-CG 3.8Å; H287-F316 WeakPolarHBondContact ND1-CB 3Å; H287-F316 AromaticContact ND1-CG 3.87Å; H287-F316 AromaticContact NE2-CD2 3.76Å; H287-F316 WeakPolarHBondContact O-CA 3.49Å; H287-F316 WeakPolarHBondContact O-CB 3.35Å; H287-F316 PolarHBondContact O-N 3.25Å; Q314-F316 HydrophobicContact CB-CE2 3.93Å; Q314-F316 HydrophobicContact CB-CZ 4.07Å
317	G	94	Very high	86.4	Confident	23 Å²	23	47 Å²	47	24%	0.237	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	83.7	-154.4	175.6	0	0	0	0	0	113.3	H286 H287 D315	H286-G317 CarbonylContact C-O 3.58Å; H286-G317 WeakPolarHBondContact CA-O 3.43Å; H287-G317 PolarHBondContact N-O 3.36Å; D315-G317 WeakPolarHBondContact OD1-CA 3.33Å; D315-G317 PolarHBondContact OD1-N 2.83Å
318	V	97.3	Very high	86.7	Confident	67 Å²	67	48.3 Å²	48.3	41%	0.406	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	121.4	-171.5	177.4	0	0	0	0	110.2	P284 V285 G320 Y321	P284-V318 HydrophobicContact CB-CB 4.47Å; P284-V318 HydrophobicContact CB-CG1 3.79Å; P284-V318 HydrophobicContact CB-CG2 3.76Å; V285-V318 WeakPolarHBondContact O-CA 3.41Å; V318-G320 VanDerWaalsContact C-N 3.3Å; V318-G320 VanDerWaalsContact CG1-O 3.25Å; V318-G320 WeakPolarHBondContact CG1-O 3.19Å; V318-Y321 HydrophobicContact CG1-CE2 4.31Å
319	I	97.7	Very high	87.1	Confident	17 Å²	17	48.3 Å²	48.3	9%	0.087	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-13.2	176.3	64.6	161.8	0	0	0	112.6	L247 T249 V285 H287 Y298	L247-I319 HydrophobicContact CB-CD1 4.15Å; T249-I319 WeakPolarHBondContact CB-O 2.91Å; T249-I319 HydrophobicContact CG2-CB 4.28Å; T249-I319 VanDerWaalsContact CG2-O 3.22Å; T249-I319 WeakPolarHBondContact CG2-O 3.5Å; T249-I319 PolarHBondContact OG1-O 3.14Å; V285-I319 HydrophobicContact CB-CD1 4.46Å; V285-I319 HydrophobicContact CB-CG1 3.88Å; V285-I319 HydrophobicContact CG1-CD1 3.92Å; V285-I319 HydrophobicContact CG1-CG1 3.79Å; V285-I319 PolarHBondContact O-N 3.38Å; H287-I319 HydrophobicContact CB-CG2 3.78Å; Y298-I319 HydrophobicContact CD1-CD1 3.71Å; Y298-I319 HydrophobicContact CD1-CG1 4.4Å; Y298-I319 HydrophobicContact CD1-CG2 4.46Å; Y298-I319 HydrophobicContact CE1-CD1 4.08Å; Y298-I319 HydrophobicContact CE1-CG2 4.18Å
320	G	98.1	Very high	87.6	Confident	3 Å²	3	49 Å²	49	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	153	-170.6	178.1	0	0	0	0	0	111	S272 V285 V318	S272-G320 CarbonylContact O-C 3.38Å; S272-G320 WeakPolarHBondContact O-CA 3.03Å; V285-G320 PolarHBondContact N-O 3.21Å; V318-G320 VanDerWaalsContact C-N 3.3Å; V318-G320 VanDerWaalsContact CG1-O 3.25Å; V318-G320 WeakPolarHBondContact CG1-O 3.19Å
321	Y	98.1	Very high	88.8	Confident	49 Å²	49	42.5 Å²	42.5	19%	0.192	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	133.4	-177.7	-64	-105.8	0	0	0	111	V271 S272 E275 L282 M283 P284 V318	V271-Y321 WeakPolarHBondContact CB-O 3.42Å; S272-Y321 PolarHBondContact N-O 2.88Å; S272-Y321 PolarHBondContact O-N 2.03Å; E275-Y321 HydrophobicContact CG-CD1 4.1Å; E275-Y321 HydrophobicContact CG-CE1 3.7Å; L282-Y321 HydrophobicContact CB-CD1 4.42Å; M283-Y321 CarbonylContact O-C 3.57Å; M283-Y321 VanDerWaalsContact O-CA 3.26Å; M283-Y321 WeakPolarHBondContact O-CA 3.35Å; P284-Y321 HydrophobicContact CB-CD1 4.31Å; P284-Y321 HydrophobicContact CB-CE1 4.06Å; V318-Y321 HydrophobicContact CG1-CE2 4.31Å
322	A	97.4	Very high	90	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	-174.4	-178.4	0	0	0	0	0	110.3	V271 L282 M283 V285 F371 A372 I373	V271-A322 HydrophobicContact CG1-CB 4.41Å; L282-A322 CarbonylContact C-O 3.58Å; L282-A322 WeakPolarHBondContact CA-O 3.49Å; M283-A322 PolarHBondContact N-O 3.01Å; M283-A322 PolarHBondContact O-N 3.48Å; V285-A322 HydrophobicContact CG2-CB 3.4Å; A322-F371 HydrophobicContact CB-CB 4.13Å; A322-F371 HydrophobicContact CB-CD2 3.79Å; A322-F371 HydrophobicContact CB-CG 4.24Å; A322-A372 WeakPolarHBondContact CB-O 3.43Å; A322-I373 HydrophobicContact CB-CG2 4Å
323	V	94.1	Very high	91.4	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-121.2	163.6	174.5	-64.6	0	0	0	0	111	H281 G325 I328 C329 A331 A372 W374	H281-V323 HydrophobicContact CB-CG1 4.46Å; V323-G325 WeakPolarHBondContact CG2-O 3.28Å; V323-G325 PolarHBondContact O-N 3.22Å; V323-G325 VanDerWaalsContact O-N 3.16Å; V323-I328 HydrophobicContact CB-CB 3.89Å; V323-I328 HydrophobicContact CB-CG2 3.82Å; V323-I328 HydrophobicContact CG1-CB 4.26Å; V323-I328 HydrophobicContact CG1-CG2 3.77Å; V323-I328 HydrophobicContact CG2-CB 3.95Å; V323-I328 HydrophobicContact CG2-CG2 4.38Å; V323-C329 HydrophobicContact CG1-CB 4.3Å; V323-A331 HydrophobicContact CG2-CB 3.35Å; V323-A372 HydrophobicContact CG2-CB 4.14Å; V323-A372 WeakPolarHBondContact CG2-O 3.38Å; V323-A372 PolarHBondContact N-O 2.97Å; V323-A372 VanDerWaalsContact N-O 3.09Å; V323-A372 PolarHBondContact O-N 3.06Å; V323-W374 HydrophobicContact CG1-CH2 4Å; V323-W374 HydrophobicContact CG1-CZ2 4.11Å
324	A	89.1	Confident	92.2	Very high	32 Å²	32	37.2 Å²	37.2	26%	0.264	21%	0.212	S	C	.	.	S	Bend	trans	-61.3	-27.5	-173.1	0	0	0	0	0	114	L39 M283 I328	L39-A324 HydrophobicContact CD1-CB 4.14Å; M283-A324 HydrophobicContact CE-CB 3.61Å; A324-I328 HydrophobicContact CB-CD1 3.86Å
325	G	85.8	Confident	92.7	Very high	14 Å²	14	32.1 Å²	32.1	14%	0.144	19%	0.188	C	C	.	.	S	Bend	trans	-175.2	172.6	-178.6	0	0	0	0	0	112.7	V323	V323-G325 WeakPolarHBondContact CG2-O 3.28Å; V323-G325 PolarHBondContact O-N 3.22Å; V323-G325 VanDerWaalsContact O-N 3.16Å
326	P	86.4	Confident	92.9	Very high	54 Å²	54	30.6 Å²	30.6	35%	0.351	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	143.6	-178.7	-24.4	35.3	0	0	0	112.3	A331 P334 I369 A372	P326-A331 CarbonylContact C-O 3.59Å; P326-A331 WeakPolarHBondContact CA-O 3.16Å; P326-P334 HydrophobicContact CG-CB 3.77Å; P326-P334 HydrophobicContact CG-CG 4.07Å; P326-I369 HydrophobicContact CG-CD1 4.3Å; P326-A372 HydrophobicContact CG-CB 4.13Å
327	G	84.4	Confident	92.8	Very high	5 Å²	5	25.9 Å²	25.9	5%	0.052	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.8	-16.6	176.4	0	0	0	0	0	116	A331	G327-A331 PolarHBondContact N-O 3.14Å
328	I	88.7	Confident	92.6	Very high	42 Å²	42	24.9 Å²	24.9	22%	0.215	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-75.4	127.3	169	-56.2	174.5	0	0	0	107.7	H281 V323 A324 D330 A331	H281-I328 HydrophobicContact CB-CG2 3.45Å; H281-I328 VanDerWaalsContact CB-CG2 3.45Å; V323-I328 HydrophobicContact CB-CB 3.89Å; V323-I328 HydrophobicContact CB-CG2 3.82Å; V323-I328 HydrophobicContact CG1-CB 4.26Å; V323-I328 HydrophobicContact CG1-CG2 3.77Å; V323-I328 HydrophobicContact CG2-CB 3.95Å; V323-I328 HydrophobicContact CG2-CG2 4.38Å; A324-I328 HydrophobicContact CB-CD1 3.86Å; I328-D330 PolarHBondContact O-N 2.91Å; I328-D330 VanDerWaalsContact O-N 3.13Å; I328-A331 VanDerWaalsContact O-CB 3.3Å; I328-A331 WeakPolarHBondContact O-CB 3.47Å; I328-A331 PolarHBondContact O-N 3.35Å
329	C	92	Very high	92	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	39.4	179.6	-54.6	0	0	0	0	114.2	C222 G224 K225 C279 V323 A331 W374	C222-C329 WeakPolarHBondContact O-CA 3.39Å; C222-C329 PolarHBondContact O-N 2.65Å; G224-C329 WeakPolarHBondContact O-CB 3.29Å; K225-C329 WeakPolarHBondContact CA-O 3.33Å; K225-C329 PolarHBondContact N-O 2.04Å; C279-C329 WeakPolarHBondContact CA-SG 3.38Å; C279-C329 HydrophobicContact CB-CB 3.64Å; C279-C329 WeakPolarHBondContact CB-SG 3.43Å; C279-C329 WeakPolarHBondContact SG-CB 3.35Å; C279-C329 CovalentContact SG-SG 2.01Å; C279-C329 PolarHBondContact SG-SG 3.11Å; V323-C329 HydrophobicContact CG1-CB 4.3Å; C329-A331 PolarHBondContact O-N 2.97Å; C329-A331 VanDerWaalsContact O-N 3.09Å; C329-W374 HydrophobicContact CB-CZ2 4.07Å; C329-W374 PolarHBondContact O-NE1 3.31Å
330	D	90.7	Very high	91.4	Very high	57 Å²	57	24.5 Å²	24.5	31%	0.305	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	18.1	-177.1	-55	-48.2	0	0	0	115.4	R221 K225 I328 T332	R221-D330 VanDerWaalsContact CD-OD1 3.32Å; R221-D330 WeakPolarHBondContact CD-OD1 3.4Å; R221-D330 IonicContact NE-OD1 3.77Å; K225-D330 HydrophobicContact CB-CB 4.41Å; I328-D330 PolarHBondContact O-N 2.91Å; I328-D330 VanDerWaalsContact O-N 3.13Å; D330-T332 PolarHBondContact O-N 2.76Å
331	A	93.1	Very high	90.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.169	C	C	.	.			trans	-65.7	132.6	170.9	0	0	0	0	0	109.8	V323 P326 G327 I328 C329 A372 W374	V323-A331 HydrophobicContact CG2-CB 3.35Å; P326-A331 CarbonylContact C-O 3.59Å; P326-A331 WeakPolarHBondContact CA-O 3.16Å; G327-A331 PolarHBondContact N-O 3.14Å; I328-A331 VanDerWaalsContact O-CB 3.3Å; I328-A331 WeakPolarHBondContact O-CB 3.47Å; I328-A331 PolarHBondContact O-N 3.35Å; C329-A331 PolarHBondContact O-N 2.97Å; C329-A331 VanDerWaalsContact O-N 3.09Å; A331-A372 HydrophobicContact CB-CB 4.19Å; A331-W374 HydrophobicContact CB-CD2 4.46Å; A331-W374 HydrophobicContact CB-CZ2 4.28Å
332	T	91.9	Very high	89.6	Confident	87 Å²	87	34.8 Å²	34.8	53%	0.534	19%	0.185	S	C	.	.			trans	-129.9	-4.4	-174.8	47.8	0	0	0	0	113.3	D330 P334 I373 P375	D330-T332 PolarHBondContact O-N 2.76Å; T332-P334 WeakPolarHBondContact O-CD 3.46Å; T332-I373 PolarHBondContact N-O 3.04Å; T332-P375 WeakPolarHBondContact OG1-CD 3.45Å
333	V	94.9	Very high	89	Confident	25 Å²	25	34.9 Å²	34.9	15%	0.152	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	94.7	-177.5	-176	0	0	0	0	109.1	V268 Q348 A372 I373 P375	V268-V333 WeakPolarHBondContact O-CG1 3.46Å; V333-Q348 HydrophobicContact CG1-CB 3.73Å; V333-Q348 HydrophobicContact CG1-CG 4.48Å; V333-A372 WeakPolarHBondContact O-CA 3.48Å; V333-I373 HydrophobicContact CB-CG1 3.8Å; V333-I373 WeakPolarHBondContact CB-O 3.48Å; V333-I373 HydrophobicContact CG1-CD1 4.39Å; V333-I373 HydrophobicContact CG1-CG1 3.89Å; V333-I373 PolarHBondContact N-O 3.36Å; V333-I373 PolarHBondContact O-N 3.16Å; V333-P375 HydrophobicContact CG2-CB 4.09Å
334	P	93.4	Very high	88.8	Confident	14 Å²	14	35.1 Å²	35.1	9%	0.091	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	140.1	170.7	25.9	-32.1	0	0	0	111.1	P326 T332 Y336 I369	P326-P334 HydrophobicContact CG-CB 3.77Å; P326-P334 HydrophobicContact CG-CG 4.07Å; T332-P334 WeakPolarHBondContact O-CD 3.46Å; P334-Y336 HydrophobicContact CB-CE1 4.41Å; P334-Y336 HydrophobicContact CB-CE2 4.08Å; P334-Y336 HydrophobicContact CG-CD2 4.46Å; P334-Y336 HydrophobicContact CG-CE1 4.33Å; P334-Y336 HydrophobicContact CG-CE2 3.56Å; P334-Y336 VanDerWaalsContact CG-CZ 3.49Å; P334-Y336 WeakPolarHBondContact CG-OH 3.38Å; P334-I369 HydrophobicContact CB-CD1 3.7Å; P334-I369 HydrophobicContact CB-CG1 3.89Å; P334-I369 HydrophobicContact CB-CG2 3.98Å
335	I	96.7	Very high	88.9	Confident	1 Å²	1	33.8 Å²	33.8	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	109.1	165.1	-60.5	-54.1	0	0	0	107.9	L247 V268 Q346 Q348 I369 S370 F371 I373	L247-I335 HydrophobicContact CD1-CG2 4.44Å; V268-I335 HydrophobicContact CG2-CD1 4.35Å; I335-Q346 HydrophobicContact CG2-CB 3.83Å; I335-Q348 HydrophobicContact CD1-CB 4.07Å; I335-I369 CarbonylContact O-C 3.58Å; I335-I369 WeakPolarHBondContact O-CA 3.32Å; I335-S370 PolarHBondContact O-N 3.18Å; I335-F371 HydrophobicContact CB-CD2 4.24Å; I335-F371 HydrophobicContact CB-CE2 3.98Å; I335-F371 HydrophobicContact CB-CZ 4.17Å; I335-F371 HydrophobicContact CG1-CD2 3.98Å; I335-F371 HydrophobicContact CG1-CE2 3.54Å; I335-F371 HydrophobicContact CG1-CZ 4.07Å; I335-F371 HydrophobicContact CG2-CE1 4.43Å; I335-F371 HydrophobicContact CG2-CE2 4.38Å; I335-F371 HydrophobicContact CG2-CZ 4.07Å; I335-F371 PolarHBondContact N-O 3.22Å; I335-I373 HydrophobicContact CD1-CD1 3.78Å; I335-I373 HydrophobicContact CD1-CG1 4.27Å; I335-I373 HydrophobicContact CG1-CD1 4.12Å; I335-I373 HydrophobicContact CG1-CG1 4.34Å; I335-I373 HydrophobicContact CG1-CG2 4.42Å
336	Y	92.9	Very high	89.4	Confident	43 Å²	43	33.1 Å²	33.1	17%	0.169	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	144.6	178.1	-59.8	-82.8	0	0	0	110.5	P334 Q346 L347 N349 L353 Y366 G368 I369	P334-Y336 HydrophobicContact CB-CE1 4.41Å; P334-Y336 HydrophobicContact CB-CE2 4.08Å; P334-Y336 HydrophobicContact CG-CD2 4.46Å; P334-Y336 HydrophobicContact CG-CE1 4.33Å; P334-Y336 HydrophobicContact CG-CE2 3.56Å; P334-Y336 VanDerWaalsContact CG-CZ 3.49Å; P334-Y336 WeakPolarHBondContact CG-OH 3.38Å; Y336-Q346 VanDerWaalsContact O-CA 3.25Å; Y336-Q346 WeakPolarHBondContact O-CA 3.22Å; Y336-L347 WeakPolarHBondContact CD2-O 3.42Å; Y336-L347 PolarHBondContact N-O 2.85Å; Y336-L347 PolarHBondContact O-N 3.1Å; Y336-N349 HydrophobicContact CE2-CB 4.21Å; Y336-L353 HydrophobicContact CD1-CD1 4.49Å; Y336-L353 HydrophobicContact CD2-CD1 4Å; Y336-L353 HydrophobicContact CD2-CD2 3.43Å; Y336-L353 VanDerWaalsContact CD2-CD2 3.43Å; Y336-L353 HydrophobicContact CD2-CG 4.35Å; Y336-L353 HydrophobicContact CE2-CD2 3.38Å; Y336-L353 HydrophobicContact CG-CD1 3.87Å; Y336-L353 HydrophobicContact CG-CD2 4.02Å; Y336-Y366 AromaticContact CD1-CE2 3.78Å; Y336-Y366 HydrophobicContact CD1-CE2 3.78Å; Y336-Y366 AromaticContact CD1-CZ 3.85Å; Y336-Y366 VanDerWaalsContact CD1-OH 3.25Å; Y336-Y366 WeakPolarHBondContact CD1-OH 3.44Å; Y336-Y366 HydrophobicContact CG-CE2 4.43Å; Y336-G368 CarbonylContact C-O 3.52Å; Y336-G368 WeakPolarHBondContact CA-O 3.4Å; Y336-I369 HydrophobicContact CD1-CG1 4.02Å; Y336-I369 HydrophobicContact CE1-CD1 4.39Å; Y336-I369 HydrophobicContact CE1-CG1 4.04Å
337	E	91.9	Very high	89.9	Confident	11 Å²	11	30.5 Å²	30.5	5%	0.051	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	132.7	-177.9	-172.8	177.7	115.5	0	0	111.3	Y297 I344 I345 Q346 Y366 R367 G368 S370	Y297-E337 WeakPolarHBondContact CE2-OE2 3.37Å; E337-I344 HydrophobicContact CG-CG2 4Å; E337-I345 CarbonylContact C-O 3.55Å; E337-I345 WeakPolarHBondContact CA-O 3.26Å; E337-Q346 HydrophobicContact CB-CG 4.37Å; E337-Q346 HydrophobicContact CG-CG 4.13Å; E337-Y366 WeakPolarHBondContact O-CD2 3.35Å; E337-R367 HydrophobicContact CB-CB 3.93Å; E337-R367 HydrophobicContact CG-CB 3.87Å; E337-R367 HydrophobicContact CG-CG 4.27Å; E337-R367 PolarHBondContact O-N 3.07Å; E337-R367 WeakPolarHBondContact OE1-CB 3.42Å; E337-G368 PolarHBondContact N-O 3Å; E337-S370 WeakPolarHBondContact CB-OG 3.42Å; E337-S370 PolarHBondContact OE2-OG 2.84Å
338	F	89.6	Confident	90.4	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	133.4	171.9	-68.5	-101.7	0	0	0	109.6	I344 I345 L347 L353 L356 L357 F364 S365 Y366	F338-I344 WeakPolarHBondContact O-CA 3.49Å; F338-I345 HydrophobicContact CB-CB 4.36Å; F338-I345 PolarHBondContact N-O 3.31Å; F338-I345 PolarHBondContact O-N 3.04Å; F338-L347 HydrophobicContact CD2-CD2 3.88Å; F338-L347 HydrophobicContact CE2-CD2 3.96Å; F338-L353 HydrophobicContact CE2-CD1 3.35Å; F338-L353 HydrophobicContact CZ-CD1 3.58Å; F338-L356 HydrophobicContact CD1-CB 3.9Å; F338-L356 HydrophobicContact CD2-CB 4.47Å; F338-L356 HydrophobicContact CD2-CD1 3.96Å; F338-L356 HydrophobicContact CE1-CB 3.62Å; F338-L356 HydrophobicContact CE2-CB 4.27Å; F338-L356 HydrophobicContact CE2-CD1 4.28Å; F338-L356 HydrophobicContact CG-CB 4.32Å; F338-L356 HydrophobicContact CG-CD1 4.1Å; F338-L356 HydrophobicContact CZ-CB 3.84Å; F338-L357 HydrophobicContact CE1-CD2 4.04Å; F338-L357 HydrophobicContact CE1-CG 4.45Å; F338-L357 HydrophobicContact CZ-CD2 3.66Å; F338-L357 HydrophobicContact CZ-CG 3.92Å; F338-F364 HydrophobicContact CB-CB 4.32Å; F338-F364 HydrophobicContact CB-CD1 4.03Å; F338-F364 HydrophobicContact CD1-CB 4.26Å; F338-S365 CarbonylContact C-O 3.42Å; F338-S365 VanDerWaalsContact CA-O 3.25Å; F338-S365 WeakPolarHBondContact CA-O 3.36Å; F338-Y366 HydrophobicContact CD1-CD2 4.44Å; F338-Y366 HydrophobicContact CD2-CD2 4.36Å; F338-Y366 AromaticContact CE1-CD2 3.93Å; F338-Y366 HydrophobicContact CE1-CD2 3.93Å; F338-Y366 HydrophobicContact CE1-CG 4.05Å; F338-Y366 AromaticContact CE2-CD2 3.8Å; F338-Y366 HydrophobicContact CE2-CD2 3.8Å; F338-Y366 HydrophobicContact CE2-CE2 4.33Å; F338-Y366 AromaticContact CZ-CD2 3.56Å; F338-Y366 HydrophobicContact CZ-CD2 3.56Å; F338-Y366 HydrophobicContact CZ-CE2 4.31Å; F338-Y366 HydrophobicContact CZ-CG 4.03Å
339	Y	85.2	Confident	90.5	Very high	54 Å²	54	35.6 Å²	35.6	21%	0.212	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	135.5	177.8	174.2	-103.7	0	0	0	111	F293 I344 F364 S365	F293-Y339 HydrophobicContact CB-CE2 4.32Å; F293-Y339 HydrophobicContact CD1-CD2 4.13Å; F293-Y339 AromaticContact CD1-CE2 3.1Å; F293-Y339 HydrophobicContact CD1-CE2 3.1Å; F293-Y339 AromaticContact CD1-CZ 3.61Å; F293-Y339 WeakPolarHBondContact CD1-OH 3.31Å; F293-Y339 HydrophobicContact CE1-CD2 4.19Å; F293-Y339 AromaticContact CE1-CE2 3.31Å; F293-Y339 HydrophobicContact CE1-CE2 3.31Å; F293-Y339 AromaticContact CE1-CZ 3.57Å; F293-Y339 WeakPolarHBondContact CE1-OH 3.45Å; F293-Y339 AromaticContact CG-CE2 3.77Å; F293-Y339 HydrophobicContact CG-CE2 3.77Å; F293-Y339 HydrophobicContact CZ-CE2 4.19Å; Y339-I344 HydrophobicContact CD2-CG1 4.22Å; Y339-F364 CarbonylContact O-C 3.56Å; Y339-F364 VanDerWaalsContact O-CA 3.3Å; Y339-F364 WeakPolarHBondContact O-CA 3.28Å; Y339-S365 PolarHBondContact N-O 3.3Å; Y339-S365 PolarHBondContact O-N 3.35Å
340	H	84.3	Confident	90.6	Very high	22 Å²	22	37.1 Å²	37.1	10%	0.102	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	157.8	167.4	176.6	-110.3	0	0	0	109.7	M342 G343 G362 G363 F364	H340-M342 VanDerWaalsContact CE1-CG 3.46Å; H340-M342 WeakPolarHBondContact CE1-CG 3.39Å; H340-M342 WeakPolarHBondContact ND1-CB 3.15Å; H340-M342 PolarHBondContact ND1-N 3.3Å; H340-M342 VanDerWaalsContact ND1-N 3.19Å; H340-M342 PolarHBondContact O-N 3.23Å; H340-G343 PolarHBondContact N-O 3.05Å; H340-G343 PolarHBondContact O-N 3.11Å; H340-G362 PolarHBondContact CD2-O 2.97Å; H340-G363 PolarHBondContact CD2-O 3.28Å; H340-F364 HydrophobicContact CB-CD1 3.38Å; H340-F364 HydrophobicContact CB-CD2 4.3Å; H340-F364 HydrophobicContact CB-CE1 3.26Å; H340-F364 HydrophobicContact CB-CE2 4.23Å; H340-F364 HydrophobicContact CB-CG 3.9Å; H340-F364 HydrophobicContact CB-CZ 3.73Å; H340-F364 AromaticContact CG-CZ 3.96Å
341	K	78.4	Confident	90.7	Very high	164 Å²	164	39.8 Å²	39.8	71%	0.713	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-17	177.7	68.2	-179.4	178.6	179.7	0	114.6
342	M	80.3	Confident	90.6	Very high	105 Å²	105	41.8 Å²	41.8	52%	0.517	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.8	0.3	179	-58.9	179.1	67.5	0	0	113.6	S243 H340	S243-M342 WeakPolarHBondContact CB-O 3.37Å; H340-M342 VanDerWaalsContact CE1-CG 3.46Å; H340-M342 WeakPolarHBondContact CE1-CG 3.39Å; H340-M342 WeakPolarHBondContact ND1-CB 3.15Å; H340-M342 PolarHBondContact ND1-N 3.3Å; H340-M342 VanDerWaalsContact ND1-N 3.19Å; H340-M342 PolarHBondContact O-N 3.23Å
343	G	85.1	Confident	90.6	Very high	2 Å²	2	37.9 Å²	37.9	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	151.1	175.8	-179.4	0	0	0	0	0	114.3	F293 H340	F293-G343 WeakPolarHBondContact O-CA 3.39Å; H340-G343 PolarHBondContact N-O 3.05Å; H340-G343 PolarHBondContact O-N 3.11Å
344	I	89.2	Confident	90.3	Very high	5 Å²	5	41.2 Å²	41.2	3%	0.026	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.2	-178.6	-55.3	176.8	0	0	0	108.6	N245 F293 Y297 E337 F338 Y339 Q346	N245-I344 WeakPolarHBondContact CB-O 3.36Å; F293-I344 HydrophobicContact CB-CD1 4.14Å; F293-I344 HydrophobicContact CB-CG1 4.2Å; F293-I344 HydrophobicContact CD2-CD1 3.79Å; F293-I344 HydrophobicContact CG-CD1 4.18Å; Y297-I344 HydrophobicContact CD2-CD1 3.46Å; Y297-I344 VanDerWaalsContact CD2-CD1 3.46Å; Y297-I344 HydrophobicContact CD2-CG2 4.22Å; Y297-I344 HydrophobicContact CE2-CD1 4.18Å; Y297-I344 HydrophobicContact CG-CD1 4.05Å; E337-I344 HydrophobicContact CG-CG2 4Å; F338-I344 WeakPolarHBondContact O-CA 3.49Å; Y339-I344 HydrophobicContact CD2-CG1 4.22Å; I344-Q346 HydrophobicContact CG2-CG 4.03Å
345	I	92.8	Very high	90.1	Very high	3 Å²	3	47.7 Å²	47.7	2%	0.015	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	124.1	171.9	-57	177.8	0	0	0	108.4	Y238 E337 F338 L347 L356 F364	Y238-I345 HydrophobicContact CE2-CD1 3.93Å; Y238-I345 HydrophobicContact CE2-CG1 3.97Å; Y238-I345 WeakPolarHBondContact OH-CD1 3.46Å; E337-I345 CarbonylContact C-O 3.55Å; E337-I345 WeakPolarHBondContact CA-O 3.26Å; F338-I345 HydrophobicContact CB-CB 4.36Å; F338-I345 PolarHBondContact N-O 3.31Å; F338-I345 PolarHBondContact O-N 3.04Å; I345-L347 HydrophobicContact CG2-CD1 4.36Å; I345-L347 HydrophobicContact CG2-CD2 4.09Å; I345-L356 HydrophobicContact CD1-CD1 4.25Å; I345-L356 HydrophobicContact CD1-CD2 4.29Å; I345-L356 HydrophobicContact CG2-CD1 4.19Å; I345-F364 HydrophobicContact CD1-CD1 3.93Å; I345-F364 HydrophobicContact CD1-CE1 3.3Å; I345-F364 HydrophobicContact CD1-CE2 4.39Å; I345-F364 HydrophobicContact CD1-CZ 3.58Å; I345-F364 HydrophobicContact CG1-CD1 4.35Å; I345-F364 HydrophobicContact CG1-CE1 3.68Å; I345-F364 HydrophobicContact CG1-CZ 4.33Å
346	Q	95.5	Very high	89.8	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	118.4	173.1	-66.3	178.1	-76.9	0	0	109.6	R236 N245 L247 Y298 I335 Y336 E337 I344 S370	R236-Q346 PolarHBondContact NE-O 3.12Å; N245-Q346 PolarHBondContact ND2-N 2.79Å; N245-Q346 PolarHBondContact ND2-O 2.73Å; L247-Q346 HydrophobicContact CD1-CB 4.29Å; Y298-Q346 PolarHBondContact O-NE2 3.42Å; I335-Q346 HydrophobicContact CG2-CB 3.83Å; Y336-Q346 VanDerWaalsContact O-CA 3.25Å; Y336-Q346 WeakPolarHBondContact O-CA 3.22Å; E337-Q346 HydrophobicContact CB-CG 4.37Å; E337-Q346 HydrophobicContact CG-CG 4.13Å; I344-Q346 HydrophobicContact CG2-CG 4.03Å; Q346-S370 PolarHBondContact NE2-OG 3.37Å
347	L	96.2	Very high	89.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	155.7	-171.4	79.5	178.4	0	0	0	112.9	Y336 F338 I345 E352 L353 L356	Y336-L347 WeakPolarHBondContact CD2-O 3.42Å; Y336-L347 PolarHBondContact N-O 2.85Å; Y336-L347 PolarHBondContact O-N 3.1Å; F338-L347 HydrophobicContact CD2-CD2 3.88Å; F338-L347 HydrophobicContact CE2-CD2 3.96Å; I345-L347 HydrophobicContact CG2-CD1 4.36Å; I345-L347 HydrophobicContact CG2-CD2 4.09Å; L347-E352 HydrophobicContact CD1-CB 3.94Å; L347-E352 HydrophobicContact CD1-CG 3.76Å; L347-L353 HydrophobicContact CD1-CB 4.32Å; L347-L353 HydrophobicContact CD2-CD1 4.25Å; L347-L353 HydrophobicContact CG-CB 4.44Å; L347-L356 HydrophobicContact CD1-CD1 4.03Å; L347-L356 HydrophobicContact CD2-CD1 4.2Å
348	Q	94.7	Very high	88.8	Confident	38 Å²	38	54.6 Å²	54.6	18%	0.178	27%	0.271	C	S	.	.			trans	-81.5	172.8	172.7	81.7	-70.1	14.8	0	0	112.2	V268 V333 I335 S350	V268-Q348 HydrophobicContact CB-CB 4.38Å; V268-Q348 VanDerWaalsContact CB-CD 3.48Å; V268-Q348 HydrophobicContact CB-CG 4.15Å; V268-Q348 VanDerWaalsContact CG1-CD 3.48Å; V333-Q348 HydrophobicContact CG1-CB 3.73Å; V333-Q348 HydrophobicContact CG1-CG 4.48Å; I335-Q348 HydrophobicContact CD1-CB 4.07Å; Q348-S350 PolarHBondContact O-N 3.23Å; Q348-S350 PolarHBondContact O-OG 3.44Å
349	N	92.2	Very high	88.3	Confident	115 Å²	115	57.7 Å²	57.7	62%	0.615	29%	0.288	S	S	*	.	S	Bend	trans	-55.3	122.6	173.6	-168.9	2.6	0	0	0	111.7	Y336 L353	Y336-N349 HydrophobicContact CE2-CB 4.21Å; N349-L353 HydrophobicContact CB-CD2 4.25Å
350	S	93.2	Very high	87.2	Confident	33 Å²	33	62.1 Å²	62.1	23%	0.231	32%	0.315	C	S	.	.	S	Bend	trans	-163.6	169	-173.5	59.9	0	0	0	0	110.6	Q348 E352 L353 Q354	Q348-S350 PolarHBondContact O-N 3.23Å; Q348-S350 PolarHBondContact O-OG 3.44Å; S350-E352 PolarHBondContact O-N 3.4Å; S350-E352 PolarHBondContact OG-N 3.09Å; S350-L353 WeakPolarHBondContact O-CB 3.37Å; S350-L353 PolarHBondContact O-N 2.89Å; S350-L353 VanDerWaalsContact O-N 3.15Å; S350-L353 PolarHBondContact OG-N 2.95Å; S350-Q354 PolarHBondContact O-N 3.45Å
351	T	92.6	Very high	86.2	Confident	112 Å²	112	72.5 Å²	72.5	69%	0.687	35%	0.354	S	S	*	.	H	α-helix	trans	-60.3	-27.8	170.6	-48	0	0	0	0	112.2	K355	T351-K355 WeakPolarHBondContact O-CG 3.49Å; T351-K355 PolarHBondContact O-N 3.04Å
352	E	92.5	Very high	85.7	Confident	43 Å²	43	66 Å²	66	20%	0.201	33%	0.333	C	S	.	.	H	α-helix	trans	-68.1	-42.7	174.6	-173	-179.6	159.4	0	0	111.4	R236 Y238 L347 S350 Q354 K355 L356	R236-E352 IonicContact CZ-OE1 2.66Å; R236-E352 IonicContact CZ-OE2 3.97Å; R236-E352 VanDerWaalsContact NH1-CD 3.31Å; R236-E352 IonicContact NH1-OE1 2.96Å; R236-E352 PolarHBondContact NH1-OE1 2.87Å; R236-E352 IonicContact NH1-OE2 3.83Å; R236-E352 PolarHBondContact NH1-OE2 3.31Å; R236-E352 IonicContact NH2-OE1 3.09Å; R236-E352 PolarHBondContact NH2-OE1 3.18Å; R236-E352 IonicContact NH2-OE2 3.37Å; Y238-E352 WeakPolarHBondContact CD1-OE1 3.44Å; Y238-E352 WeakPolarHBondContact CE1-OE1 3.23Å; L347-E352 HydrophobicContact CD1-CB 3.94Å; L347-E352 HydrophobicContact CD1-CG 3.76Å; S350-E352 PolarHBondContact O-N 3.4Å; S350-E352 PolarHBondContact OG-N 3.09Å; E352-Q354 VanDerWaalsContact C-N 3.35Å; E352-Q354 PolarHBondContact O-N 2.76Å; E352-K355 PolarHBondContact O-N 3.36Å; E352-L356 PolarHBondContact O-N 3.29Å
353	L	91.3	Very high	85.5	Confident	5 Å²	5	63.2 Å²	63.2	3%	0.026	33%	0.331	C	S	.	.	H	α-helix	trans	-56.6	-48.8	173.8	172.8	66.9	0	0	0	111.3	Y336 F338 L347 N349 S350 K355 L356 L357	Y336-L353 HydrophobicContact CD1-CD1 4.49Å; Y336-L353 HydrophobicContact CD2-CD1 4Å; Y336-L353 HydrophobicContact CD2-CD2 3.43Å; Y336-L353 VanDerWaalsContact CD2-CD2 3.43Å; Y336-L353 HydrophobicContact CD2-CG 4.35Å; Y336-L353 HydrophobicContact CE2-CD2 3.38Å; Y336-L353 HydrophobicContact CG-CD1 3.87Å; Y336-L353 HydrophobicContact CG-CD2 4.02Å; F338-L353 HydrophobicContact CE2-CD1 3.35Å; F338-L353 HydrophobicContact CZ-CD1 3.58Å; L347-L353 HydrophobicContact CD1-CB 4.32Å; L347-L353 HydrophobicContact CD2-CD1 4.25Å; L347-L353 HydrophobicContact CG-CB 4.44Å; N349-L353 HydrophobicContact CB-CD2 4.25Å; S350-L353 WeakPolarHBondContact O-CB 3.37Å; S350-L353 PolarHBondContact O-N 2.89Å; S350-L353 VanDerWaalsContact O-N 3.15Å; S350-L353 PolarHBondContact OG-N 2.95Å; L353-K355 VanDerWaalsContact C-N 3.28Å; L353-K355 PolarHBondContact O-N 3.47Å; L353-L356 PolarHBondContact O-N 3.01Å; L353-L356 VanDerWaalsContact O-N 3.12Å; L353-L357 HydrophobicContact CD1-CD1 4.07Å; L353-L357 HydrophobicContact CD1-CG 4.12Å; L353-L357 HydrophobicContact CD2-CD1 4.45Å; L353-L357 HydrophobicContact CG-CD1 3.9Å; L353-L357 HydrophobicContact CG-CG 4.36Å; L353-L357 WeakPolarHBondContact O-CG 3.41Å; L353-L357 PolarHBondContact O-N 3.03Å
354	Q	88.9	Confident	85.5	Confident	95 Å²	95	65 Å²	65	44%	0.444	34%	0.339	S	S	.	.	H	α-helix	trans	-60.2	-41	-179	-171.7	59.1	43.2	0	0	111.4	S350 E352 L356 L357 D358	S350-Q354 PolarHBondContact O-N 3.45Å; E352-Q354 VanDerWaalsContact C-N 3.35Å; E352-Q354 PolarHBondContact O-N 2.76Å; Q354-L356 PolarHBondContact O-N 3.24Å; Q354-L357 PolarHBondContact O-N 2.88Å; Q354-D358 WeakPolarHBondContact CG-OD2 3.48Å; Q354-D358 VanDerWaalsContact NE2-CG 3.28Å; Q354-D358 PolarHBondContact NE2-OD1 2.73Å; Q354-D358 PolarHBondContact NE2-OD2 2.88Å; Q354-D358 WeakPolarHBondContact O-CB 3.36Å; Q354-D358 PolarHBondContact O-N 2.84Å
355	K	89.5	Confident	85.1	Confident	149 Å²	149	65.3 Å²	65.3	65%	0.648	34%	0.341	S	S	*	.	H	α-helix	trans	-62	-41	174.9	-72.5	176.3	179.2	-176.3	0	112.8	T351 E352 L353 L357 D358 D359	T351-K355 WeakPolarHBondContact O-CG 3.49Å; T351-K355 PolarHBondContact O-N 3.04Å; E352-K355 PolarHBondContact O-N 3.36Å; L353-K355 VanDerWaalsContact C-N 3.28Å; L353-K355 PolarHBondContact O-N 3.47Å; K355-L357 VanDerWaalsContact C-N 3.34Å; K355-D358 PolarHBondContact O-N 3.2Å; K355-D359 WeakPolarHBondContact O-CB 3.4Å; K355-D359 PolarHBondContact O-N 2.8Å
356	L	88.9	Confident	84.6	Confident	21 Å²	21	66.4 Å²	66.4	11%	0.11	35%	0.345	C	S	.	.	H	α-helix	trans	-67.9	-34.3	176.7	-71.3	170.6	0	0	0	112.3	F338 I345 L347 E352 L353 Q354 F364	F338-L356 HydrophobicContact CD1-CB 3.9Å; F338-L356 HydrophobicContact CD2-CB 4.47Å; F338-L356 HydrophobicContact CD2-CD1 3.96Å; F338-L356 HydrophobicContact CE1-CB 3.62Å; F338-L356 HydrophobicContact CE2-CB 4.27Å; F338-L356 HydrophobicContact CE2-CD1 4.28Å; F338-L356 HydrophobicContact CG-CB 4.32Å; F338-L356 HydrophobicContact CG-CD1 4.1Å; F338-L356 HydrophobicContact CZ-CB 3.84Å; I345-L356 HydrophobicContact CD1-CD1 4.25Å; I345-L356 HydrophobicContact CD1-CD2 4.29Å; I345-L356 HydrophobicContact CG2-CD1 4.19Å; L347-L356 HydrophobicContact CD1-CD1 4.03Å; L347-L356 HydrophobicContact CD2-CD1 4.2Å; E352-L356 PolarHBondContact O-N 3.29Å; L353-L356 PolarHBondContact O-N 3.01Å; L353-L356 VanDerWaalsContact O-N 3.12Å; Q354-L356 PolarHBondContact O-N 3.24Å; L356-F364 HydrophobicContact CD2-CB 4.19Å; L356-F364 HydrophobicContact CD2-CD1 4.45Å; L356-F364 HydrophobicContact CD2-CD2 3.97Å; L356-F364 HydrophobicContact CD2-CG 3.94Å
357	L	84.5	Confident	84	Confident	68 Å²	68	67 Å²	67	36%	0.356	35%	0.348	S	S	.	.	H	α-helix	trans	-71	-35.3	175.4	-70.9	172.2	0	0	0	112.5	F338 L353 Q354 K355 Y366	F338-L357 HydrophobicContact CE1-CD2 4.04Å; F338-L357 HydrophobicContact CE1-CG 4.45Å; F338-L357 HydrophobicContact CZ-CD2 3.66Å; F338-L357 HydrophobicContact CZ-CG 3.92Å; L353-L357 HydrophobicContact CD1-CD1 4.07Å; L353-L357 HydrophobicContact CD1-CG 4.12Å; L353-L357 HydrophobicContact CD2-CD1 4.45Å; L353-L357 HydrophobicContact CG-CD1 3.9Å; L353-L357 HydrophobicContact CG-CG 4.36Å; L353-L357 WeakPolarHBondContact O-CG 3.41Å; L353-L357 PolarHBondContact O-N 3.03Å; Q354-L357 PolarHBondContact O-N 2.88Å; K355-L357 VanDerWaalsContact C-N 3.34Å; L357-Y366 HydrophobicContact CD2-CD1 3.9Å; L357-Y366 HydrophobicContact CD2-CD2 4.44Å; L357-Y366 HydrophobicContact CD2-CE1 4.2Å; L357-Y366 HydrophobicContact CD2-CG 4.03Å
358	D	80.6	Confident	83.3	Confident	111 Å²	111	67 Å²	67	59%	0.594	35%	0.349	S	S	*	.	H	α-helix	trans	-83.9	-15.9	-179.5	-64.2	-24.4	0	0	0	113	Q354 K355 D360	Q354-D358 WeakPolarHBondContact CG-OD2 3.48Å; Q354-D358 VanDerWaalsContact NE2-CG 3.28Å; Q354-D358 PolarHBondContact NE2-OD1 2.73Å; Q354-D358 PolarHBondContact NE2-OD2 2.88Å; Q354-D358 WeakPolarHBondContact O-CB 3.36Å; Q354-D358 PolarHBondContact O-N 2.84Å; K355-D358 PolarHBondContact O-N 3.2Å; D358-D360 PolarHBondContact O-N 3Å
359	D	77.7	Confident	83	Confident	66 Å²	66	67.3 Å²	67.3	35%	0.353	35%	0.351	S	S	.	.			trans	-91.1	84	-176.5	-172.9	13.4	0	0	0	113.1	K355 R361 G362	K355-D359 WeakPolarHBondContact O-CB 3.4Å; K355-D359 PolarHBondContact O-N 2.8Å; D359-R361 PolarHBondContact O-N 3.34Å; D359-R361 PolarHBondContact OD1-N 3.01Å; D359-G362 PolarHBondContact OD1-N 3.25Å; D359-G362 WeakPolarHBondContact OD2-CA 3.39Å; D359-G362 PolarHBondContact OD2-N 3.48Å
360	D	63.1	Low	83	Confident	147 Å²	147	61.9 Å²	61.9	79%	0.786	32%	0.322	S	S	*	.	S	Bend	trans	-66.5	-12.8	171.9	-77.9	-24.5	0	0	0	113.7	D358	D358-D360 PolarHBondContact O-N 3Å
361	R	62.4	Low	83.1	Confident	240 Å²	240	60.4 Å²	60.4	91%	0.906	31%	0.311	S	S	*	.	S	Bend	trans	-103.8	-23.4	-172.8	-70.4	-175	-70.2	-178.5	-4.2	114.1	D359 G363	D359-R361 PolarHBondContact O-N 3.34Å; D359-R361 PolarHBondContact OD1-N 3.01Å; R361-G363 PolarHBondContact O-N 3.05Å; R361-G363 VanDerWaalsContact O-N 3.12Å
362	G	67.6	Low	83.2	Confident	27 Å²	27	55.1 Å²	55.1	28%	0.278	28%	0.278	S	S	.	.	S	Bend	trans	-67.3	-7.1	-179	0	0	0	0	0	114.7	H340 D359 F364	H340-G362 PolarHBondContact CD2-O 2.97Å; D359-G362 PolarHBondContact OD1-N 3.25Å; D359-G362 WeakPolarHBondContact OD2-CA 3.39Å; D359-G362 PolarHBondContact OD2-N 3.48Å; G362-F364 PolarHBondContact O-N 3.05Å
363	G	77.3	Confident	83.4	Confident	47 Å²	47	53 Å²	53	49%	0.485	27%	0.269	S	S	.	.			trans	75.3	1.6	178	0	0	0	0	0	114.3	H340 R361	H340-G363 PolarHBondContact CD2-O 3.28Å; R361-G363 PolarHBondContact O-N 3.05Å; R361-G363 VanDerWaalsContact O-N 3.12Å
364	F	84.1	Confident	83.6	Confident	40 Å²	40	52.9 Å²	52.9	18%	0.175	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-75.4	124.6	172.6	-75.3	-85	0	0	0	109.9	F338 Y339 H340 I345 L356 G362	F338-F364 HydrophobicContact CB-CB 4.32Å; F338-F364 HydrophobicContact CB-CD1 4.03Å; F338-F364 HydrophobicContact CD1-CB 4.26Å; Y339-F364 CarbonylContact O-C 3.56Å; Y339-F364 VanDerWaalsContact O-CA 3.3Å; Y339-F364 WeakPolarHBondContact O-CA 3.28Å; H340-F364 HydrophobicContact CB-CD1 3.38Å; H340-F364 HydrophobicContact CB-CD2 4.3Å; H340-F364 HydrophobicContact CB-CE1 3.26Å; H340-F364 HydrophobicContact CB-CE2 4.23Å; H340-F364 HydrophobicContact CB-CG 3.9Å; H340-F364 HydrophobicContact CB-CZ 3.73Å; H340-F364 AromaticContact CG-CZ 3.96Å; I345-F364 HydrophobicContact CD1-CD1 3.93Å; I345-F364 HydrophobicContact CD1-CE1 3.3Å; I345-F364 HydrophobicContact CD1-CE2 4.39Å; I345-F364 HydrophobicContact CD1-CZ 3.58Å; I345-F364 HydrophobicContact CG1-CD1 4.35Å; I345-F364 HydrophobicContact CG1-CE1 3.68Å; I345-F364 HydrophobicContact CG1-CZ 4.33Å; L356-F364 HydrophobicContact CD2-CB 4.19Å; L356-F364 HydrophobicContact CD2-CD1 4.45Å; L356-F364 HydrophobicContact CD2-CD2 3.97Å; L356-F364 HydrophobicContact CD2-CG 3.94Å; G362-F364 PolarHBondContact O-N 3.05Å
365	S	81.5	Confident	83.9	Confident	12 Å²	12	53 Å²	53	8%	0.084	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127	174.2	-179.5	0	0	0	0	110.5	E114 F338 Y339 R367	E114-S365 WeakPolarHBondContact OE1-CB 3.42Å; E114-S365 PolarHBondContact OE1-OG 3.44Å; F338-S365 CarbonylContact C-O 3.42Å; F338-S365 VanDerWaalsContact CA-O 3.25Å; F338-S365 WeakPolarHBondContact CA-O 3.36Å; Y339-S365 PolarHBondContact N-O 3.3Å; Y339-S365 PolarHBondContact O-N 3.35Å; S365-R367 PolarHBondContact O-N 3.25Å
366	Y	83	Confident	83.6	Confident	25 Å²	25	48.2 Å²	48.2	10%	0.098	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	121.7	175.1	-179.7	-141	0	0	0	111.1	W46 Y336 E337 F338 L357 G368	W46-Y366 AromaticContact CH2-CD1 3.55Å; W46-Y366 HydrophobicContact CH2-CD1 3.55Å; W46-Y366 AromaticContact CH2-CE1 3.12Å; W46-Y366 HydrophobicContact CH2-CE1 3.12Å; W46-Y366 HydrophobicContact CH2-CE2 4.27Å; W46-Y366 HydrophobicContact CH2-CG 4.31Å; W46-Y366 AromaticContact CH2-CZ 3.46Å; W46-Y366 VanDerWaalsContact CH2-CZ 3.46Å; W46-Y366 HydrophobicContact CZ2-CD1 4.08Å; W46-Y366 AromaticContact CZ2-CE1 3.21Å; W46-Y366 HydrophobicContact CZ2-CE1 3.21Å; W46-Y366 AromaticContact CZ2-CZ 3.5Å; W46-Y366 VanDerWaalsContact CZ2-OH 3.3Å; W46-Y366 WeakPolarHBondContact CZ2-OH 3.16Å; W46-Y366 HydrophobicContact CZ3-CE1 4.45Å; Y336-Y366 AromaticContact CD1-CE2 3.78Å; Y336-Y366 HydrophobicContact CD1-CE2 3.78Å; Y336-Y366 AromaticContact CD1-CZ 3.85Å; Y336-Y366 VanDerWaalsContact CD1-OH 3.25Å; Y336-Y366 WeakPolarHBondContact CD1-OH 3.44Å; Y336-Y366 HydrophobicContact CG-CE2 4.43Å; E337-Y366 WeakPolarHBondContact O-CD2 3.35Å; F338-Y366 HydrophobicContact CD1-CD2 4.44Å; F338-Y366 HydrophobicContact CD2-CD2 4.36Å; F338-Y366 AromaticContact CE1-CD2 3.93Å; F338-Y366 HydrophobicContact CE1-CD2 3.93Å; F338-Y366 HydrophobicContact CE1-CG 4.05Å; F338-Y366 AromaticContact CE2-CD2 3.8Å; F338-Y366 HydrophobicContact CE2-CD2 3.8Å; F338-Y366 HydrophobicContact CE2-CE2 4.33Å; F338-Y366 AromaticContact CZ-CD2 3.56Å; F338-Y366 HydrophobicContact CZ-CD2 3.56Å; F338-Y366 HydrophobicContact CZ-CE2 4.31Å; F338-Y366 HydrophobicContact CZ-CG 4.03Å; L357-Y366 HydrophobicContact CD2-CD1 3.9Å; L357-Y366 HydrophobicContact CD2-CD2 4.44Å; L357-Y366 HydrophobicContact CD2-CE1 4.2Å; L357-Y366 HydrophobicContact CD2-CG 4.03Å; Y366-G368 VanDerWaalsContact CE2-CA 3.47Å; Y366-G368 VanDerWaalsContact CE2-N 3.35Å; Y366-G368 WeakPolarHBondContact CE2-O 3.3Å
367	R	82.1	Confident	83.3	Confident	12 Å²	12	49.6 Å²	49.6	5%	0.045	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-2.1	-177.4	-61.8	-63.8	-172	-155.8	-6.3	114.2	A110 E114 E337 S365	A110-R367 HydrophobicContact CB-CB 4.14Å; A110-R367 WeakPolarHBondContact CB-O 3.33Å; A110-R367 PolarHBondContact O-NH1 2.94Å; E114-R367 VanDerWaalsContact CD-NH1 3.28Å; E114-R367 IonicContact OE1-NH1 3.7Å; E114-R367 IonicContact OE2-CZ 2.74Å; E114-R367 IonicContact OE2-NH1 3.53Å; E114-R367 PolarHBondContact OE2-NH1 2.85Å; E114-R367 IonicContact OE2-NH2 3.48Å; E114-R367 PolarHBondContact OE2-NH2 2.85Å; E337-R367 HydrophobicContact CB-CB 3.93Å; E337-R367 HydrophobicContact CG-CB 3.87Å; E337-R367 HydrophobicContact CG-CG 4.27Å; E337-R367 PolarHBondContact O-N 3.07Å; E337-R367 WeakPolarHBondContact OE1-CB 3.42Å; S365-R367 PolarHBondContact O-N 3.25Å
368	G	82.6	Confident	83.3	Confident	2 Å²	2	48.6 Å²	48.6	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	97.3	-150.3	-179.5	0	0	0	0	0	113.1	W46 Y336 E337 Y366	W46-G368 VanDerWaalsContact CZ3-CA 3.45Å; Y336-G368 CarbonylContact C-O 3.52Å; Y336-G368 WeakPolarHBondContact CA-O 3.4Å; E337-G368 PolarHBondContact N-O 3Å; Y366-G368 VanDerWaalsContact CE2-CA 3.47Å; Y366-G368 VanDerWaalsContact CE2-N 3.35Å; Y366-G368 WeakPolarHBondContact CE2-O 3.3Å
369	I	87.6	Confident	83.4	Confident	44 Å²	44	44.9 Å²	44.9	23%	0.226	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	122.2	-179	-62.9	168.2	0	0	0	108.9	R43 P326 P334 I335 Y336 F371	R43-I369 PolarHBondContact NE-O 2.83Å; R43-I369 PolarHBondContact NH2-O 2.91Å; P326-I369 HydrophobicContact CG-CD1 4.3Å; P334-I369 HydrophobicContact CB-CD1 3.7Å; P334-I369 HydrophobicContact CB-CG1 3.89Å; P334-I369 HydrophobicContact CB-CG2 3.98Å; I335-I369 CarbonylContact O-C 3.58Å; I335-I369 WeakPolarHBondContact O-CA 3.32Å; Y336-I369 HydrophobicContact CD1-CG1 4.02Å; Y336-I369 HydrophobicContact CE1-CD1 4.39Å; Y336-I369 HydrophobicContact CE1-CG1 4.04Å; I369-F371 VanDerWaalsContact CG2-O 3.26Å; I369-F371 WeakPolarHBondContact CG2-O 3.38Å
370	S	91.6	Very high	83.8	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-45.8	175.5	-50.9	0	0	0	0	110.9	R43 I335 E337 Q346	R43-S370 VanDerWaalsContact NH2-CA 3.29Å; R43-S370 PolarHBondContact NH2-O 3.46Å; I335-S370 PolarHBondContact O-N 3.18Å; E337-S370 WeakPolarHBondContact CB-OG 3.42Å; E337-S370 PolarHBondContact OE2-OG 2.84Å; Q346-S370 PolarHBondContact NE2-OG 3.37Å
371	F	95.2	Very high	85.2	Confident	3 Å²	3	36.7 Å²	36.7	1%	0.013	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	171.2	178.1	49.4	-90	0	0	0	109	L247 V285 A322 I335 I369 I373	L247-F371 HydrophobicContact CD1-CZ 4.07Å; V285-F371 HydrophobicContact CG1-CD1 4.18Å; V285-F371 HydrophobicContact CG1-CE1 3.65Å; V285-F371 HydrophobicContact CG1-CE2 4.22Å; V285-F371 HydrophobicContact CG1-CZ 3.67Å; V285-F371 HydrophobicContact CG2-CD1 4.44Å; V285-F371 HydrophobicContact CG2-CD2 4.11Å; V285-F371 HydrophobicContact CG2-CE2 4.21Å; V285-F371 HydrophobicContact CG2-CG 4.24Å; V285-F371 HydrophobicContact CG2-CZ 4.45Å; A322-F371 HydrophobicContact CB-CB 4.13Å; A322-F371 HydrophobicContact CB-CD2 3.79Å; A322-F371 HydrophobicContact CB-CG 4.24Å; I335-F371 HydrophobicContact CB-CD2 4.24Å; I335-F371 HydrophobicContact CB-CE2 3.98Å; I335-F371 HydrophobicContact CB-CZ 4.17Å; I335-F371 HydrophobicContact CG1-CD2 3.98Å; I335-F371 HydrophobicContact CG1-CE2 3.54Å; I335-F371 HydrophobicContact CG1-CZ 4.07Å; I335-F371 HydrophobicContact CG2-CE1 4.43Å; I335-F371 HydrophobicContact CG2-CE2 4.38Å; I335-F371 HydrophobicContact CG2-CZ 4.07Å; I335-F371 PolarHBondContact N-O 3.22Å; I369-F371 VanDerWaalsContact CG2-O 3.26Å; I369-F371 WeakPolarHBondContact CG2-O 3.38Å; F371-I373 HydrophobicContact CD2-CG2 3.63Å; F371-I373 HydrophobicContact CE2-CG2 3.72Å
372	A	94.7	Very high	86.8	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	144.8	173.1	0	0	0	0	0	112	A322 V323 P326 A331 V333	A322-A372 WeakPolarHBondContact CB-O 3.43Å; V323-A372 HydrophobicContact CG2-CB 4.14Å; V323-A372 WeakPolarHBondContact CG2-O 3.38Å; V323-A372 PolarHBondContact N-O 2.97Å; V323-A372 VanDerWaalsContact N-O 3.09Å; V323-A372 PolarHBondContact O-N 3.06Å; P326-A372 HydrophobicContact CG-CB 4.13Å; A331-A372 HydrophobicContact CB-CB 4.19Å; V333-A372 WeakPolarHBondContact O-CA 3.48Å
373	I	97.3	Very high	88.3	Confident	0 Å²	0	21.8 Å²	21.8	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	179.7	-175.4	69.4	177.4	0	0	0	110.1	V234 V268 R270 V271 A322 T332 V333 I335 F371	V234-I373 HydrophobicContact CG2-CD1 4.3Å; V268-I373 HydrophobicContact CG2-CD1 4.21Å; R270-I373 WeakPolarHBondContact O-CB 3.49Å; V271-I373 HydrophobicContact CG1-CB 4.28Å; V271-I373 HydrophobicContact CG1-CG2 3.59Å; A322-I373 HydrophobicContact CB-CG2 4Å; T332-I373 PolarHBondContact N-O 3.04Å; V333-I373 HydrophobicContact CB-CG1 3.8Å; V333-I373 WeakPolarHBondContact CB-O 3.48Å; V333-I373 HydrophobicContact CG1-CD1 4.39Å; V333-I373 HydrophobicContact CG1-CG1 3.89Å; V333-I373 PolarHBondContact N-O 3.36Å; V333-I373 PolarHBondContact O-N 3.16Å; I335-I373 HydrophobicContact CD1-CD1 3.78Å; I335-I373 HydrophobicContact CD1-CG1 4.27Å; I335-I373 HydrophobicContact CG1-CD1 4.12Å; I335-I373 HydrophobicContact CG1-CG1 4.34Å; I335-I373 HydrophobicContact CG1-CG2 4.42Å; F371-I373 HydrophobicContact CD2-CG2 3.63Å; F371-I373 HydrophobicContact CE2-CG2 3.72Å
374	W	96.3	Very high	89.2	Confident	1 Å²	1	19.7 Å²	19.7	0%	0.004	11%	0.108	C	C	.	.	B	Isolated β-bridge	trans	-98.9	152.8	-179.5	-63.6	-87.5	0	0	0	111.2	K225 P226 M231 G269 R270 L282 V323 C329 A331	K225-W374 HydrophobicContact CG-CG 4.32Å; P226-W374 HydrophobicContact CG-CH2 3.78Å; P226-W374 HydrophobicContact CG-CZ2 3.75Å; P226-W374 HydrophobicContact CG-CZ3 4.36Å; M231-W374 HydrophobicContact CE-CB 3.61Å; M231-W374 HydrophobicContact CE-CD2 3.57Å; M231-W374 HydrophobicContact CE-CE3 3.32Å; M231-W374 HydrophobicContact CE-CG 3.71Å; M231-W374 HydrophobicContact CE-CZ3 4.22Å; M231-W374 HydrophobicContact SD-CE3 4.35Å; G269-W374 CarbonylContact C-O 3.49Å; G269-W374 WeakPolarHBondContact CA-O 3.43Å; R270-W374 PolarHBondContact N-O 3.01Å; R270-W374 PolarHBondContact O-N 2.98Å; L282-W374 HydrophobicContact CD2-CH2 3.55Å; L282-W374 HydrophobicContact CD2-CZ2 4.5Å; L282-W374 HydrophobicContact CD2-CZ3 4.22Å; V323-W374 HydrophobicContact CG1-CH2 4Å; V323-W374 HydrophobicContact CG1-CZ2 4.11Å; C329-W374 HydrophobicContact CB-CZ2 4.07Å; C329-W374 PolarHBondContact O-NE1 3.31Å; A331-W374 HydrophobicContact CB-CD2 4.46Å; A331-W374 HydrophobicContact CB-CZ2 4.28Å
375	P	94.1	Very high	89.6	Confident	97 Å²	97	17.8 Å²	17.8	63%	0.63	10%	0.102	S	C	*	.			trans	-65	0	174.2	28.4	-34.7	0	0	0	111.4	R270 T332 V333	R270-P375 PolarHBondContact NE-O 3.46Å; R270-P375 PolarHBondContact NH2-O 3.15Å; T332-P375 WeakPolarHBondContact OG1-CD 3.45Å; V333-P375 HydrophobicContact CG2-CB 4.09Å

Retrieved 375 of 375 residues in 463 ms (Link to these results)

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