A0AA82N4B5_SCHMA Loading...

Leishmanolysin-like peptidase AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N4B5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 402 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.6	Low	54.9	Low	215 Å²	215	125 Å²	125	100%	1.059	62%	0.624	S	S	*	*				0	-39.4	0	-126.2	165.2	79.6	0	0	113.5
2	I	58.2	Low	54.4	Low	134 Å²	134	123.7 Å²	123.7	69%	0.687	62%	0.618	S	S	*	*	H	α-helix	trans	-66.7	-37	-176.8	-64.9	167.8	0	0	0	113.5	N4 L5 L6	I2-N4 PolarHBondContact O-N 3.2Å; I2-L5 PolarHBondContact O-N 3.24Å; I2-L6 HydrophobicContact CG2-CD1 4.02Å; I2-L6 PolarHBondContact O-N 2.95Å
3	I	62.6	Low	53.6	Low	127 Å²	127	126.7 Å²	126.7	65%	0.651	63%	0.626	S	S	*	*	H	α-helix	trans	-64.7	-38.2	-179.9	-66.1	169.2	0	0	0	112.1	L5 L6 I7	I3-L5 VanDerWaalsContact C-N 3.29Å; I3-L5 PolarHBondContact O-N 3.07Å; I3-L6 PolarHBondContact O-N 3.41Å; I3-I7 HydrophobicContact CG2-CD1 3.84Å; I3-I7 WeakPolarHBondContact O-CG1 3.43Å; I3-I7 PolarHBondContact O-N 3.39Å; I3-I7 VanDerWaalsContact O-N 3.07Å
4	N	56.6	Low	53.2	Low	115 Å²	115	123.5 Å²	123.5	62%	0.615	62%	0.617	S	S	*	*	H	α-helix	trans	-69.3	-26.6	177	-80	-16.4	0	0	0	113	I2 R8	I2-N4 PolarHBondContact O-N 3.2Å; N4-R8 WeakPolarHBondContact O-CG 3.35Å; N4-R8 PolarHBondContact O-N 3.19Å
5	L	55.8	Low	52.8	Low	123 Å²	123	124.2 Å²	124.2	64%	0.644	62%	0.622	S	S	*	*	H	α-helix	trans	-74.4	-41.9	176.8	-158.8	76.2	0	0	0	110.9	I2 I3 R8 T9	I2-L5 PolarHBondContact O-N 3.24Å; I3-L5 VanDerWaalsContact C-N 3.29Å; I3-L5 PolarHBondContact O-N 3.07Å; L5-R8 PolarHBondContact O-N 3.05Å; L5-T9 PolarHBondContact O-N 3.43Å; L5-T9 PolarHBondContact O-OG1 3.02Å
6	L	53	Low	52.2	Low	103 Å²	103	121.1 Å²	121.1	54%	0.539	61%	0.614	S	S	.	*	H	α-helix	trans	-64.7	-41	176	-88.8	147.8	0	0	0	112.7	I2 I3 R8 T9 V10	I2-L6 HydrophobicContact CG2-CD1 4.02Å; I2-L6 PolarHBondContact O-N 2.95Å; I3-L6 PolarHBondContact O-N 3.41Å; L6-R8 VanDerWaalsContact C-N 3.35Å; L6-T9 WeakPolarHBondContact CA-OG1 3.45Å; L6-T9 PolarHBondContact O-N 3.48Å; L6-T9 PolarHBondContact O-OG1 3.36Å; L6-T9 VanDerWaalsContact O-OG1 3.05Å; L6-V10 VanDerWaalsContact O-CG2 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.42Å; L6-V10 PolarHBondContact O-N 3.42Å
7	I	55.9	Low	51.5	Low	84 Å²	84	121.4 Å²	121.4	43%	0.431	62%	0.618	S	S	.	*	H	α-helix	trans	-65.6	-40.3	176.5	-66.4	167.7	0	0	0	110.4	I3 V10 F11	I3-I7 HydrophobicContact CG2-CD1 3.84Å; I3-I7 WeakPolarHBondContact O-CG1 3.43Å; I3-I7 PolarHBondContact O-N 3.39Å; I3-I7 VanDerWaalsContact O-N 3.07Å; I7-V10 PolarHBondContact O-N 2.99Å; I7-F11 HydrophobicContact CG2-CD2 3.79Å; I7-F11 HydrophobicContact CG2-CE2 4.06Å; I7-F11 WeakPolarHBondContact O-CB 3.4Å; I7-F11 WeakPolarHBondContact O-CD2 3.31Å; I7-F11 PolarHBondContact O-N 2.65Å
8	R	52.9	Low	51.4	Low	188 Å²	188	120.7 Å²	120.7	71%	0.709	61%	0.614	S	S	*	*	H	α-helix	trans	-66.4	-39.8	176.5	-79.7	-175.7	175.7	-167.6	-0.4	112.9	N4 L5 L6 I12	N4-R8 WeakPolarHBondContact O-CG 3.35Å; N4-R8 PolarHBondContact O-N 3.19Å; L5-R8 PolarHBondContact O-N 3.05Å; L6-R8 VanDerWaalsContact C-N 3.35Å; R8-I12 WeakPolarHBondContact O-CB 3.49Å; R8-I12 VanDerWaalsContact O-CG1 3.24Å; R8-I12 WeakPolarHBondContact O-CG1 3.47Å; R8-I12 PolarHBondContact O-N 2.82Å
9	T	53.2	Low	51.2	Low	69 Å²	69	118.7 Å²	118.7	42%	0.423	61%	0.609	S	S	.	*	H	α-helix	trans	-68.5	-40.3	176.2	39.2	0	0	0	0	111.9	L5 L6 I12 F13	L5-T9 PolarHBondContact O-N 3.43Å; L5-T9 PolarHBondContact O-OG1 3.02Å; L6-T9 WeakPolarHBondContact CA-OG1 3.45Å; L6-T9 PolarHBondContact O-N 3.48Å; L6-T9 PolarHBondContact O-OG1 3.36Å; L6-T9 VanDerWaalsContact O-OG1 3.05Å; T9-I12 PolarHBondContact O-N 3.19Å; T9-F13 WeakPolarHBondContact O-CD2 3.19Å; T9-F13 PolarHBondContact O-N 3.46Å
10	V	52.8	Low	51.3	Low	89 Å²	89	119.8 Å²	119.8	54%	0.539	61%	0.611	S	S	.	*	H	α-helix	trans	-62.9	-45.6	174.9	174.7	0	0	0	0	110.8	L6 I7 I12 F13 T14	L6-V10 VanDerWaalsContact O-CG2 3.31Å; L6-V10 WeakPolarHBondContact O-CG2 3.42Å; L6-V10 PolarHBondContact O-N 3.42Å; I7-V10 PolarHBondContact O-N 2.99Å; V10-I12 PolarHBondContact O-N 3Å; V10-F13 CarbonylContact O-C 3.59Å; V10-F13 PolarHBondContact O-N 2.95Å; V10-T14 PolarHBondContact O-N 3.38Å; V10-T14 PolarHBondContact O-OG1 3.31Å
11	F	47.6	Very low	51.7	Low	128 Å²	128	114.3 Å²	114.3	56%	0.561	58%	0.583	S	S	*	*	H	α-helix	trans	-63.2	-38.8	177	-97.6	-82.7	0	0	0	113.1	I7 F13 T14 I15	I7-F11 HydrophobicContact CG2-CD2 3.79Å; I7-F11 HydrophobicContact CG2-CE2 4.06Å; I7-F11 WeakPolarHBondContact O-CB 3.4Å; I7-F11 WeakPolarHBondContact O-CD2 3.31Å; I7-F11 PolarHBondContact O-N 2.65Å; F11-F13 VanDerWaalsContact C-N 3.33Å; F11-F13 PolarHBondContact O-N 2.85Å; F11-T14 PolarHBondContact O-N 2.89Å; F11-I15 HydrophobicContact CD1-CD1 4.14Å; F11-I15 WeakPolarHBondContact O-CB 3.37Å; F11-I15 WeakPolarHBondContact O-CD1 3.38Å; F11-I15 WeakPolarHBondContact O-CG1 3.25Å; F11-I15 PolarHBondContact O-N 3.49Å
12	I	49.2	Very low	52.4	Low	109 Å²	109	105.9 Å²	105.9	56%	0.559	54%	0.544	S	S	*	.	H	α-helix	trans	-65.1	-38.9	175.2	-69.7	166.4	0	0	0	110.5	R8 T9 V10 C16	R8-I12 WeakPolarHBondContact O-CB 3.49Å; R8-I12 VanDerWaalsContact O-CG1 3.24Å; R8-I12 WeakPolarHBondContact O-CG1 3.47Å; R8-I12 PolarHBondContact O-N 2.82Å; T9-I12 PolarHBondContact O-N 3.19Å; V10-I12 PolarHBondContact O-N 3Å; I12-C16 VanDerWaalsContact O-CB 3.25Å; I12-C16 WeakPolarHBondContact O-CB 3.24Å; I12-C16 PolarHBondContact O-N 3Å
13	F	44.2	Very low	53.4	Low	163 Å²	163	100.2 Å²	100.2	72%	0.715	52%	0.516	S	S	*	.	H	α-helix	trans	-72.2	-30.9	174.4	-87.7	-77.3	0	0	0	113.6	T9 V10 F11 C16	T9-F13 WeakPolarHBondContact O-CD2 3.19Å; T9-F13 PolarHBondContact O-N 3.46Å; V10-F13 CarbonylContact O-C 3.59Å; V10-F13 PolarHBondContact O-N 2.95Å; F11-F13 VanDerWaalsContact C-N 3.33Å; F11-F13 PolarHBondContact O-N 2.85Å; F13-C16 CarbonylContact O-C 3.5Å
14	T	47.3	Very low	54.4	Low	82 Å²	82	98.8 Å²	98.8	50%	0.503	51%	0.505	S	S	.	.	H	α-helix	trans	-76	-30.6	175.3	0.9	0	0	0	0	112.5	V10 F11 N17	V10-T14 PolarHBondContact O-N 3.38Å; V10-T14 PolarHBondContact O-OG1 3.31Å; F11-T14 PolarHBondContact O-N 2.89Å; T14-N17 PolarHBondContact O-ND2 2.97Å
15	I	46.8	Very low	55.6	Low	134 Å²	134	93.8 Å²	93.8	69%	0.687	48%	0.479	S	S	*	.	H	α-helix	trans	-84	-32.6	177	-60.5	166.5	0	0	0	111	F11 N17	F11-I15 HydrophobicContact CD1-CD1 4.14Å; F11-I15 WeakPolarHBondContact O-CB 3.37Å; F11-I15 WeakPolarHBondContact O-CD1 3.38Å; F11-I15 WeakPolarHBondContact O-CG1 3.25Å; F11-I15 PolarHBondContact O-N 3.49Å; I15-N17 PolarHBondContact O-N 3.14Å; I15-N17 VanDerWaalsContact O-N 3.1Å
16	C	44	Very low	56.6	Low	75 Å²	75	88.2 Å²	88.2	51%	0.507	45%	0.452	S	S	.	.			trans	-83.5	53.4	165.4	-86.2	0	0	0	0	111.3	I12 F13 I18	I12-C16 VanDerWaalsContact O-CB 3.25Å; I12-C16 WeakPolarHBondContact O-CB 3.24Å; I12-C16 PolarHBondContact O-N 3Å; F13-C16 CarbonylContact O-C 3.5Å; C16-I18 HydrophobicContact CB-CG1 4.24Å; C16-I18 PolarHBondContact O-N 3.01Å
17	N	39.8	Very low	57.8	Low	125 Å²	125	84.8 Å²	84.8	67%	0.668	44%	0.437	S	S	*	.			trans	-63.5	84	146.1	-84.8	-65.3	0	0	0	106	T14 I15 V19	T14-N17 PolarHBondContact O-ND2 2.97Å; I15-N17 PolarHBondContact O-N 3.14Å; I15-N17 VanDerWaalsContact O-N 3.1Å; N17-V19 VanDerWaalsContact C-N 3.31Å; N17-V19 PolarHBondContact O-N 3.45Å
18	I	49.3	Very low	58.8	Low	109 Å²	109	80.9 Å²	80.9	56%	0.559	42%	0.417	S	S	*	.			trans	-60.4	104.5	174.1	-58.2	170.5	0	0	0	104.4	C16 H20	C16-I18 HydrophobicContact CB-CG1 4.24Å; C16-I18 PolarHBondContact O-N 3.01Å; I18-H20 WeakPolarHBondContact CG2-CE1 3.36Å; I18-H20 VanDerWaalsContact CG2-NE2 3.31Å; I18-H20 WeakPolarHBondContact CG2-NE2 3.45Å; I18-H20 PolarHBondContact O-CD2 3.48Å; I18-H20 PolarHBondContact O-N 3.34Å
19	V	47.9	Very low	59.8	Low	84 Å²	84	74 Å²	74	51%	0.509	40%	0.396	S	S	.	.			trans	-64.5	88.9	174.1	176.1	0	0	0	0	106.3	N17 S21 P216	N17-V19 VanDerWaalsContact C-N 3.31Å; N17-V19 PolarHBondContact O-N 3.45Å; V19-S21 PolarHBondContact O-N 3.33Å; V19-P216 HydrophobicContact CB-CG 4.38Å; V19-P216 HydrophobicContact CG1-CB 4.2Å; V19-P216 HydrophobicContact CG1-CG 3.22Å; V19-P216 HydrophobicContact CG2-CG 4.31Å
20	H	53.2	Low	60.5	Low	140 Å²	140	73.7 Å²	73.7	65%	0.648	40%	0.397	S	S	*	.			trans	-80.6	49.1	173	-73.2	-64	0	0	0	110.4	I18 T22	I18-H20 WeakPolarHBondContact CG2-CE1 3.36Å; I18-H20 VanDerWaalsContact CG2-NE2 3.31Å; I18-H20 WeakPolarHBondContact CG2-NE2 3.45Å; I18-H20 PolarHBondContact O-CD2 3.48Å; I18-H20 PolarHBondContact O-N 3.34Å; H20-T22 PolarHBondContact O-N 3.04Å
21	S	60.9	Low	61.3	Low	5 Å²	5	72 Å²	72	4%	0.035	39%	0.387	C	S	.	.			trans	-78.2	103.7	169	162	0	0	0	0	107.5	V19 E217 N220 V349	V19-S21 PolarHBondContact O-N 3.33Å; S21-E217 VanDerWaalsContact CB-CD 3.49Å; S21-E217 WeakPolarHBondContact CB-OE1 3.31Å; S21-E217 WeakPolarHBondContact CB-OE2 3.22Å; S21-E217 PolarHBondContact OG-OE1 2.91Å; S21-E217 PolarHBondContact OG-OE2 2.73Å; S21-N220 PolarHBondContact OG-ND2 3.23Å; S21-V349 WeakPolarHBondContact OG-CG1 3.5Å
22	T	70.1	Confident	62.8	Low	37 Å²	37	73.7 Å²	73.7	23%	0.227	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	142.3	171.3	64.8	0	0	0	0	109.7	H20 R346 I347 Q348	H20-T22 PolarHBondContact O-N 3.04Å; T22-R346 VanDerWaalsContact CG2-NH2 3.27Å; T22-R346 PolarHBondContact OG1-NE 3.29Å; T22-R346 PolarHBondContact OG1-NH2 3.1Å; T22-I347 VanDerWaalsContact CA-O 3.22Å; T22-I347 WeakPolarHBondContact CA-O 3.29Å; T22-Q348 HydrophobicContact CG2-CB 4.48Å; T22-Q348 HydrophobicContact CG2-CG 3.94Å
23	S	79.1	Confident	64.7	Low	16 Å²	16	68.7 Å²	68.7	11%	0.112	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	146.9	179.3	-65.2	0	0	0	0	111.1	N220 R346 I347	S23-N220 PolarHBondContact OG-ND2 2.89Å; S23-R346 CarbonylContact O-C 3.54Å; S23-R346 WeakPolarHBondContact O-CA 3.48Å; S23-I347 PolarHBondContact N-O 2.77Å; S23-I347 PolarHBondContact O-N 2.88Å
24	F	83.6	Confident	66.9	Low	96 Å²	96	63 Å²	63	42%	0.421	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	134.2	172.8	-74.7	-87.1	0	0	0	109.3	S182 T183 V184 R346	F24-S182 WeakPolarHBondContact CD2-OG 3.3Å; F24-T183 VanDerWaalsContact O-CA 3.31Å; F24-T183 WeakPolarHBondContact O-CA 3.47Å; F24-V184 WeakPolarHBondContact O-CG2 3.23Å; F24-V184 PolarHBondContact O-N 3.33Å; F24-R346 HydrophobicContact CD1-CB 4.38Å; F24-R346 HydrophobicContact CE1-CB 4.13Å; F24-R346 HydrophobicContact CE1-CG 4.33Å; F24-R346 HydrophobicContact CZ-CG 4.28Å
25	C	80.9	Confident	69.1	Low	10 Å²	10	60 Å²	60	7%	0.068	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	140.1	172.4	-73.7	0	0	0	0	109.2	H227 E228 G345	C25-H227 VanDerWaalsContact CB-CD2 3.46Å; C25-H227 WeakPolarHBondContact CB-CD2 3.15Å; C25-H227 WeakPolarHBondContact CB-NE2 3.34Å; C25-H227 VanDerWaalsContact SG-CD2 3.52Å; C25-E228 WeakPolarHBondContact CB-OE1 3.37Å; C25-E228 PolarHBondContact SG-OE1 2.91Å; C25-G345 PolarHBondContact N-O 2.93Å
26	G	77.4	Confident	71.3	Confident	6 Å²	6	53.7 Å²	53.7	6%	0.062	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	132.5	-179	0	0	0	0	0	109.4	A185	G26-A185 PolarHBondContact N-O 2.84Å
27	S	78.3	Confident	73.6	Confident	32 Å²	32	51.9 Å²	51.9	22%	0.224	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-52.5	133.9	172.7	-69.8	0	0	0	0	110.1
28	P	76.4	Confident	76	Confident	2 Å²	2	47.2 Å²	47.2	1%	0.013	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-49.1	131	172.7	-29.1	34.7	0	0	0	110.3	A187 H231	P28-A187 WeakPolarHBondContact CA-O 3.45Å; P28-A187 VanDerWaalsContact CB-O 3.24Å; P28-A187 WeakPolarHBondContact CB-O 3.48Å; P28-A187 WeakPolarHBondContact CG-O 3.37Å; P28-H231 HydrophobicContact CG-CB 3.99Å
29	P	74.3	Confident	77.7	Confident	44 Å²	44	43.9 Å²	43.9	29%	0.286	24%	0.238	S	C	.	.	P	Polyproline II helix	trans	-58.6	149.7	177.8	22	-30.2	0	0	0	110.2	V31 Y203	P29-V31 VanDerWaalsContact C-N 3.25Å; P29-V31 HydrophobicContact CB-CG2 4.17Å; P29-V31 HydrophobicContact CG-CG2 3.89Å; P29-V31 PolarHBondContact O-N 2.82Å; P29-Y203 WeakPolarHBondContact CG-OH 3.46Å
30	S	67	Low	78.8	Confident	62 Å²	62	47 Å²	47	43%	0.434	25%	0.246	S	C	.	.			trans	-68.2	84.1	173.3	-67.2	0	0	0	0	110.1	T326	S30-T326 PolarHBondContact OG-OG1 3.14Å
31	V	71.1	Confident	78.9	Confident	54 Å²	54	43.4 Å²	43.4	33%	0.327	24%	0.235	S	C	.	.			trans	-96	130.6	178	-176.4	0	0	0	0	109.2	P29 L33	P29-V31 VanDerWaalsContact C-N 3.25Å; P29-V31 HydrophobicContact CB-CG2 4.17Å; P29-V31 HydrophobicContact CG-CG2 3.89Å; P29-V31 PolarHBondContact O-N 2.82Å; V31-L33 PolarHBondContact O-N 3.38Å; V31-L33 VanDerWaalsContact O-N 3.14Å
32	K	77.9	Confident	78.5	Confident	162 Å²	162	51.2 Å²	51.2	70%	0.704	28%	0.277	S	S	*	.			trans	-71.8	105.1	168.2	-173.7	-177.6	-179.5	-176.1	0	108.1	D34	K32-D34 PolarHBondContact O-N 3.02Å
33	L	88.4	Confident	77.4	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.021	30%	0.3	C	S	.	.			trans	-67.8	131.9	178.8	-64.3	173.4	0	0	0	111.1	V31 S189 M192 S239	V31-L33 PolarHBondContact O-N 3.38Å; V31-L33 VanDerWaalsContact O-N 3.14Å; L33-S189 VanDerWaalsContact CD2-O 3.23Å; L33-S189 WeakPolarHBondContact CD2-O 3.45Å; L33-M192 HydrophobicContact CB-CE 3.45Å; L33-M192 VanDerWaalsContact CB-CE 3.45Å; L33-M192 HydrophobicContact CB-CG 4.4Å; L33-M192 HydrophobicContact CB-SD 3.97Å; L33-M192 HydrophobicContact CD1-CE 4.28Å; L33-M192 HydrophobicContact CD1-CG 4.35Å; L33-M192 HydrophobicContact CD1-SD 3.72Å; L33-M192 HydrophobicContact CG-SD 4.47Å; L33-S239 VanDerWaalsContact CD1-OG 3.29Å; L33-S239 WeakPolarHBondContact CD1-OG 3.44Å
34	D	91	Very high	76	Confident	44 Å²	44	61.8 Å²	61.8	24%	0.235	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	163.6	175.2	-156.5	10.1	0	0	0	111.4	K32 Y103 L191 M192 K259	K32-D34 PolarHBondContact O-N 3.02Å; D34-Y103 PolarHBondContact OD2-OH 3.06Å; D34-L191 HydrophobicContact CB-CD2 4.33Å; D34-L191 WeakPolarHBondContact O-CA 3.49Å; D34-M192 PolarHBondContact O-N 3.04Å; D34-K259 IonicContact OD1-NZ 3.21Å
35	H	93.4	Very high	74.4	Confident	19 Å²	19	62.5 Å²	62.5	9%	0.088	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	144.5	177	-65.1	116.3	0	0	0	110.9	M192 D197 K259	H35-M192 VanDerWaalsContact CA-O 3.31Å; H35-M192 WeakPolarHBondContact CA-O 3.43Å; H35-D197 IonicContact CE1-OD1 3.14Å; H35-D197 IonicContact NE2-OD1 3.2Å; H35-D197 PolarHBondContact NE2-OD1 3.39Å; H35-K259 PolarHBondContact ND1-NZ 3.34Å
36	T	94.2	Very high	72.9	Confident	2 Å²	2	73.3 Å²	73.3	1%	0.012	38%	0.38	C	S	.	.			trans	-65.9	172.5	166.1	50.8	0	0	0	0	111.7	Q98 L99 L191 M192 I200	T36-Q98 HydrophobicContact CG2-CB 4.21Å; T36-Q98 PolarHBondContact OG1-OE1 3.01Å; T36-L99 CarbonylContact C-O 3.6Å; T36-L99 VanDerWaalsContact CA-O 3.29Å; T36-L99 WeakPolarHBondContact CA-O 3.43Å; T36-L99 WeakPolarHBondContact CB-O 3.35Å; T36-L191 HydrophobicContact CG2-CB 3.92Å; T36-L191 HydrophobicContact CG2-CD1 4.07Å; T36-M192 PolarHBondContact N-O 3.4Å; T36-M192 PolarHBondContact OG1-O 3.45Å; T36-I200 HydrophobicContact CG2-CD1 3.68Å; T36-I200 HydrophobicContact CG2-CG1 4.3Å
37	I	91.4	Very high	71.9	Confident	37 Å²	37	82.3 Å²	82.3	19%	0.19	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	145.4	165.3	57.9	179.6	0	0	0	109.8	L39 Q98 L99 K101	I37-L39 PolarHBondContact O-N 2.95Å; I37-Q98 CarbonylContact O-C 3.5Å; I37-Q98 WeakPolarHBondContact O-CA 3.44Å; I37-Q98 PolarHBondContact O-OE1 3.23Å; I37-L99 HydrophobicContact CG1-CB 3.96Å; I37-L99 PolarHBondContact N-O 3.47Å; I37-L99 PolarHBondContact O-N 3.33Å; I37-K101 HydrophobicContact CG2-CD 4.08Å; I37-K101 HydrophobicContact CG2-CG 3.73Å
38	P	89.6	Confident	71.1	Confident	27 Å²	27	84.4 Å²	84.4	18%	0.175	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	130.3	175.3	28.9	-33.4	0	0	0	109.9	H40 E194	P38-H40 VanDerWaalsContact CG-CE1 3.43Å; P38-H40 WeakPolarHBondContact CG-CE1 3.37Å; P38-H40 PolarHBondContact O-N 3.28Å; P38-H40 PolarHBondContact O-ND1 3.34Å; P38-E194 VanDerWaalsContact CD-OE2 3.25Å; P38-E194 WeakPolarHBondContact CD-OE2 3.11Å; P38-E194 WeakPolarHBondContact CG-OE2 3.43Å
39	L	85.5	Confident	70.9	Confident	38 Å²	38	88.8 Å²	88.8	20%	0.199	45%	0.447	C	S	.	.			trans	-76.5	111.3	165.5	177.7	62.9	0	0	0	107	I37 P41 K97 L99 N158	I37-L39 PolarHBondContact O-N 2.95Å; L39-P41 WeakPolarHBondContact O-CD 3.35Å; L39-K97 HydrophobicContact CB-CB 4.27Å; L39-K97 HydrophobicContact CD2-CB 4.29Å; L39-K97 HydrophobicContact CD2-CD 4.49Å; L39-K97 PolarHBondContact N-O 2.8Å; L39-L99 HydrophobicContact CB-CD1 3.93Å; L39-L99 HydrophobicContact CB-CG 4.21Å; L39-L99 HydrophobicContact CD1-CD1 3.75Å; L39-L99 HydrophobicContact CG-CD1 4.28Å; L39-N158 HydrophobicContact CD1-CB 4.04Å
40	H	70.2	Confident	71.6	Confident	150 Å²	150	89 Å²	89	69%	0.694	45%	0.452	S	S	*	.			trans	-84.3	104.3	173.6	-71.4	22	0	0	0	108.4	P38	P38-H40 VanDerWaalsContact CG-CE1 3.43Å; P38-H40 WeakPolarHBondContact CG-CE1 3.37Å; P38-H40 PolarHBondContact O-N 3.28Å; P38-H40 PolarHBondContact O-ND1 3.34Å
41	P	55.8	Low	72.8	Confident	64 Å²	64	89.4 Å²	89.4	42%	0.416	45%	0.454	S	S	.	.			trans	-62.6	145.1	166.5	24.5	-32.1	0	0	0	109.7	L39 N43	L39-P41 WeakPolarHBondContact O-CD 3.35Å; P41-N43 WeakPolarHBondContact CB-O 3.27Å; P41-N43 WeakPolarHBondContact CG-O 3.27Å; P41-N43 PolarHBondContact O-N 3.39Å
42	D	54	Low	73.9	Confident	170 Å²	170	92.7 Å²	92.7	91%	0.909	46%	0.46	S	S	*	.	S	Bend	trans	-54.3	-22.1	172	-67.5	-43.2	0	0	0	112.2
43	N	45.7	Very low	74.8	Confident	134 Å²	134	89 Å²	89	72%	0.717	46%	0.455	S	S	*	.	S	Bend	trans	-109.1	118.2	173.5	-70.1	-39.6	0	0	0	110.4	P41 E45	P41-N43 WeakPolarHBondContact CB-O 3.27Å; P41-N43 WeakPolarHBondContact CG-O 3.27Å; P41-N43 PolarHBondContact O-N 3.39Å; N43-E45 PolarHBondContact O-N 3.02Å
44	V	49.4	Very low	75.3	Confident	141 Å²	141	89 Å²	89	86%	0.855	46%	0.455	S	S	*	.			trans	-52.8	94.8	175.5	-176.4	0	0	0	0	109.9	R46	V44-R46 PolarHBondContact O-N 3.35Å; V44-R46 VanDerWaalsContact O-N 3.15Å
45	E	49.8	Very low	75.6	Confident	111 Å²	111	92.6 Å²	92.6	52%	0.519	47%	0.468	S	S	.	.			trans	-58	122.3	163.3	-88.8	-174.5	162.9	0	0	106.4	N43 R47	N43-E45 PolarHBondContact O-N 3.02Å; E45-R47 PolarHBondContact O-N 3.18Å; E45-R47 VanDerWaalsContact O-N 3.13Å
46	R	50.5	Low	75.9	Confident	237 Å²	237	92.3 Å²	92.3	89%	0.894	47%	0.467	S	S	*	.			trans	-50.3	125.8	171.2	-95.1	-178.6	174.5	175.8	-0.7	107.1	V44 D48	V44-R46 PolarHBondContact O-N 3.35Å; V44-R46 VanDerWaalsContact O-N 3.15Å; R46-D48 VanDerWaalsContact C-N 3.31Å; R46-D48 PolarHBondContact O-N 3.29Å
47	R	56.4	Low	76.1	Confident	194 Å²	194	95.6 Å²	95.6	73%	0.732	48%	0.479	S	S	*	.			trans	-52.1	94.5	175	-71	-178	-178.7	162.5	-0.2	109.6	E45 T49	E45-R47 PolarHBondContact O-N 3.18Å; E45-R47 VanDerWaalsContact O-N 3.13Å; R47-T49 VanDerWaalsContact C-N 3.34Å; R47-T49 HydrophobicContact CB-CG2 4.23Å; R47-T49 PolarHBondContact O-N 3.21Å
48	D	62.1	Low	76.4	Confident	76 Å²	76	95.7 Å²	95.7	41%	0.406	48%	0.482	S	S	.	.			trans	-81.5	89.4	173.4	-175.4	12.2	0	0	0	107.8	R46 A50 R52	R46-D48 VanDerWaalsContact C-N 3.31Å; R46-D48 PolarHBondContact O-N 3.29Å; D48-A50 VanDerWaalsContact C-N 3.25Å; D48-A50 VanDerWaalsContact OD1-CB 3.28Å; D48-A50 WeakPolarHBondContact OD1-CB 3.31Å; D48-A50 PolarHBondContact OD1-N 3.07Å; D48-R52 IonicContact OD2-NH1 3.36Å
49	T	72.4	Confident	76.8	Confident	94 Å²	94	97.1 Å²	97.1	58%	0.577	49%	0.486	S	S	*	.			trans	-87.6	1.9	179.3	58.3	0	0	0	0	112.2	R47	R47-T49 VanDerWaalsContact C-N 3.34Å; R47-T49 HydrophobicContact CB-CG2 4.23Å; R47-T49 PolarHBondContact O-N 3.21Å
50	A	87.7	Confident	77.4	Confident	48 Å²	48	97.2 Å²	97.2	40%	0.397	49%	0.485	S	S	.	.	S	Bend	trans	-66.8	143.4	178.8	0	0	0	0	0	110.5	D48 R52 P93	D48-A50 VanDerWaalsContact C-N 3.25Å; D48-A50 VanDerWaalsContact OD1-CB 3.28Å; D48-A50 WeakPolarHBondContact OD1-CB 3.31Å; D48-A50 PolarHBondContact OD1-N 3.07Å; A50-R52 PolarHBondContact O-N 3.26Å; A50-P93 VanDerWaalsContact O-CD 3.24Å; A50-P93 WeakPolarHBondContact O-CD 3.48Å; A50-P93 VanDerWaalsContact O-CG 3.24Å; A50-P93 WeakPolarHBondContact O-CG 3.03Å
51	P	93.2	Very high	78.7	Confident	71 Å²	71	91 Å²	91	46%	0.461	46%	0.458	S	S	.	.			trans	-59.1	136.1	174.2	-24	33.4	0	0	0	111.8	T89 V90	P51-T89 HydrophobicContact CB-CG2 3.78Å; P51-V90 VanDerWaalsContact CA-O 3.23Å; P51-V90 WeakPolarHBondContact CA-O 3.31Å
52	R	94	Very high	80.7	Confident	124 Å²	124	92.7 Å²	92.7	47%	0.468	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	141.9	-179.5	-71.8	179.6	68.1	172.2	2.3	110.6	D48 A50 L54 T89 V90 P93 A165	D48-R52 IonicContact OD2-NH1 3.36Å; A50-R52 PolarHBondContact O-N 3.26Å; R52-L54 PolarHBondContact O-N 3.25Å; R52-T89 VanDerWaalsContact C-CG2 3.49Å; R52-T89 CarbonylContact O-C 3.56Å; R52-T89 WeakPolarHBondContact O-CG2 3.39Å; R52-V90 PolarHBondContact N-O 3.38Å; R52-V90 VanDerWaalsContact N-O 3.07Å; R52-V90 WeakPolarHBondContact O-CA 3.3Å; R52-V90 WeakPolarHBondContact O-CB 3.39Å; R52-V90 PolarHBondContact O-N 3.37Å; R52-P93 HydrophobicContact CB-CG 4.1Å; R52-P93 HydrophobicContact CG-CG 4.17Å; R52-A165 HydrophobicContact CB-CB 3.63Å
53	S	96.3	Very high	82.8	Confident	83 Å²	83	87.3 Å²	87.3	58%	0.58	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.8	137.3	178.1	-64.1	0	0	0	0	110.8	K55	S53-K55 PolarHBondContact O-N 2.96Å
54	L	98.2	Very high	85.3	Confident	5 Å²	5	80.9 Å²	80.9	3%	0.026	41%	0.406	C	S	.	.			trans	-59.1	135.5	173.6	175.6	64.3	0	0	0	109.1	R52 F56 L88 V90 L233 Y367	R52-L54 PolarHBondContact O-N 3.25Å; L54-F56 HydrophobicContact CD2-CD2 4.37Å; L54-F56 HydrophobicContact CD2-CE2 3.61Å; L54-F56 HydrophobicContact CD2-CZ 3.98Å; L54-F56 HydrophobicContact CG-CD2 4.4Å; L54-F56 HydrophobicContact CG-CE2 4.11Å; L54-L88 HydrophobicContact CB-CB 4.29Å; L54-L88 VanDerWaalsContact CB-O 3.23Å; L54-L88 WeakPolarHBondContact CB-O 3.47Å; L54-L88 HydrophobicContact CD2-CB 4.03Å; L54-L88 HydrophobicContact CD2-CD1 4.05Å; L54-L88 PolarHBondContact N-O 2.57Å; L54-L88 VanDerWaalsContact N-O 3.07Å; L54-V90 HydrophobicContact CB-CG2 4.33Å; L54-V90 HydrophobicContact CD1-CG2 4.13Å; L54-L233 HydrophobicContact CD2-CD2 3.89Å; L54-Y367 HydrophobicContact CD1-CE1 4.36Å; L54-Y367 HydrophobicContact CD2-CE1 4.48Å
55	K	97.9	Very high	87.6	Confident	119 Å²	119	79.5 Å²	79.5	52%	0.517	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	125.2	172.4	-174.1	170	-178.2	177.6	0	110.7	S53 Y57 E85 A165 G166 Y167	S53-K55 PolarHBondContact O-N 2.96Å; K55-Y57 HydrophobicContact CB-CE2 4.41Å; K55-Y57 HydrophobicContact CG-CE2 4.24Å; K55-E85 WeakPolarHBondContact CA-OE1 3.19Å; K55-A165 PolarHBondContact N-O 2.92Å; K55-G166 CarbonylContact O-C 3.57Å; K55-G166 VanDerWaalsContact O-CA 3.28Å; K55-G166 WeakPolarHBondContact O-CA 3.33Å; K55-Y167 PolarHBondContact O-N 2.99Å
56	F	98.7	Very high	89.9	Confident	14 Å²	14	81.3 Å²	81.3	6%	0.061	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	140.1	175.6	-76.2	-88.6	0	0	0	111.7	L54 I81 W84 E85 Y167 L169 I229 L233	L54-F56 HydrophobicContact CD2-CD2 4.37Å; L54-F56 HydrophobicContact CD2-CE2 3.61Å; L54-F56 HydrophobicContact CD2-CZ 3.98Å; L54-F56 HydrophobicContact CG-CD2 4.4Å; L54-F56 HydrophobicContact CG-CE2 4.11Å; F56-I81 HydrophobicContact CB-CG2 3.77Å; F56-I81 HydrophobicContact CD2-CG2 3.75Å; F56-I81 HydrophobicContact CG-CG2 3.94Å; F56-W84 HydrophobicContact CE2-CB 3.82Å; F56-W84 HydrophobicContact CZ-CB 4.2Å; F56-E85 HydrophobicContact CD2-CG 3.56Å; F56-E85 HydrophobicContact CE2-CG 4.13Å; F56-E85 PolarHBondContact N-OE1 3.28Å; F56-Y167 CarbonylContact C-O 3.35Å; F56-Y167 WeakPolarHBondContact CA-O 3.31Å; F56-Y167 AromaticContact CD1-CD1 3.55Å; F56-Y167 HydrophobicContact CD1-CD1 3.55Å; F56-Y167 HydrophobicContact CD1-CE1 4.43Å; F56-Y167 HydrophobicContact CD1-CG 4.09Å; F56-Y167 AromaticContact CE1-CD1 3.38Å; F56-Y167 HydrophobicContact CE1-CD1 3.38Å; F56-Y167 AromaticContact CE1-CE1 3.99Å; F56-Y167 HydrophobicContact CE1-CE1 3.99Å; F56-Y167 AromaticContact CE1-CG 3.83Å; F56-Y167 HydrophobicContact CE1-CG 3.83Å; F56-L169 HydrophobicContact CD1-CB 3.82Å; F56-L169 HydrophobicContact CD1-CD2 4.15Å; F56-L169 HydrophobicContact CE1-CB 4.29Å; F56-L169 HydrophobicContact CE1-CD2 4.26Å; F56-I229 HydrophobicContact CE1-CG2 3.94Å; F56-I229 HydrophobicContact CZ-CG2 3.56Å; F56-L233 HydrophobicContact CE1-CD2 4.27Å; F56-L233 HydrophobicContact CZ-CD1 4.08Å; F56-L233 HydrophobicContact CZ-CD2 3.83Å; F56-L233 HydrophobicContact CZ-CG 4.12Å
57	Y	98.5	Very high	92.1	Very high	70 Å²	70	70.6 Å²	70.6	28%	0.275	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	88.5	167.6	-65	-95.3	0	0	0	106.2	K55 H59 P163 Y167 V168 L169	K55-Y57 HydrophobicContact CB-CE2 4.41Å; K55-Y57 HydrophobicContact CG-CE2 4.24Å; Y57-H59 PolarHBondContact O-CD2 2.83Å; Y57-P163 HydrophobicContact CE1-CG 4.22Å; Y57-P163 HydrophobicContact CE2-CB 4.22Å; Y57-P163 HydrophobicContact CE2-CG 3.87Å; Y57-Y167 PolarHBondContact N-O 3.5Å; Y57-V168 WeakPolarHBondContact O-CA 3.3Å; Y57-L169 PolarHBondContact O-N 2.91Å
58	T	98.5	Very high	93.8	Very high	40 Å²	40	67 Å²	67	25%	0.245	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.3	-169.2	-53.3	0	0	0	0	110.7	F60 I81 L169 V171	T58-F60 HydrophobicContact CG2-CD2 4.21Å; T58-F60 HydrophobicContact CG2-CE2 3.7Å; T58-F60 HydrophobicContact CG2-CZ 3.91Å; T58-I81 HydrophobicContact CG2-CD1 3.85Å; T58-I81 WeakPolarHBondContact OG1-CD1 3.3Å; T58-L169 CarbonylContact C-O 3.5Å; T58-L169 VanDerWaalsContact CA-O 3.29Å; T58-L169 WeakPolarHBondContact CA-O 3.48Å; T58-L169 HydrophobicContact CG2-CB 4.36Å; T58-L169 HydrophobicContact CG2-CD2 4.23Å; T58-L169 HydrophobicContact CG2-CG 4.41Å; T58-V171 HydrophobicContact CG2-CG2 3.7Å
59	H	98.5	Very high	95.3	Very high	57 Å²	57	66 Å²	66	26%	0.264	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	112	178.1	-67.2	-93.8	0	0	0	109.5	Y57 P137 E139 Y140 L169 L170 V171	Y57-H59 PolarHBondContact O-CD2 2.83Å; H59-P137 HydrophobicContact CB-CG 4.45Å; H59-E139 IonicContact CE1-OE1 3.54Å; H59-E139 PolarHBondContact CE1-OE1 2.98Å; H59-E139 IonicContact NE2-OE1 3.49Å; H59-E139 PolarHBondContact NE2-OE1 3.37Å; H59-Y140 AromaticContact NE2-CE2 3.39Å; H59-Y140 WeakPolarHBondContact NE2-CE2 3.42Å; H59-Y140 AromaticContact NE2-CZ 3.82Å; H59-Y140 PolarHBondContact NE2-OH 3.42Å; H59-L169 PolarHBondContact N-O 2.79Å; H59-L170 HydrophobicContact CB-CD2 3.89Å; H59-V171 PolarHBondContact O-N 3.46Å
60	F	98.3	Very high	96.5	Very high	39 Å²	39	66.2 Å²	66.2	17%	0.171	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	125.3	172.8	-63.5	-88.9	0	0	0	109.2	T58 F64 Y65 L74 A77 V171	T58-F60 HydrophobicContact CG2-CD2 4.21Å; T58-F60 HydrophobicContact CG2-CE2 3.7Å; T58-F60 HydrophobicContact CG2-CZ 3.91Å; F60-F64 HydrophobicContact CB-CB 4.48Å; F60-F64 HydrophobicContact CB-CD1 4.05Å; F60-F64 HydrophobicContact CB-CG 4.39Å; F60-F64 AromaticContact CD1-CD1 3.53Å; F60-F64 HydrophobicContact CD1-CD1 3.53Å; F60-F64 HydrophobicContact CD1-CD2 4.15Å; F60-F64 AromaticContact CD1-CE1 3.46Å; F60-F64 HydrophobicContact CD1-CE1 3.46Å; F60-F64 VanDerWaalsContact CD1-CE1 3.46Å; F60-F64 HydrophobicContact CD1-CE2 4.08Å; F60-F64 AromaticContact CD1-CG 3.88Å; F60-F64 HydrophobicContact CD1-CG 3.88Å; F60-F64 AromaticContact CD1-CZ 3.74Å; F60-F64 HydrophobicContact CD1-CZ 3.74Å; F60-F64 HydrophobicContact CE1-CD1 4.39Å; F60-F64 AromaticContact CE1-CE1 3.88Å; F60-F64 HydrophobicContact CE1-CE1 3.88Å; F60-F64 HydrophobicContact CE1-CE2 4.28Å; F60-F64 AromaticContact CE1-CZ 3.8Å; F60-F64 HydrophobicContact CE1-CZ 3.8Å; F60-F64 HydrophobicContact CG-CD1 4.16Å; F60-F64 HydrophobicContact CG-CE1 4.33Å; F60-Y65 HydrophobicContact CB-CE2 3.71Å; F60-L74 HydrophobicContact CD2-CD1 4.15Å; F60-L74 HydrophobicContact CE1-CD1 4.46Å; F60-L74 HydrophobicContact CE2-CD1 4.04Å; F60-L74 HydrophobicContact CE2-CG 4.44Å; F60-L74 HydrophobicContact CG-CD1 4.42Å; F60-L74 HydrophobicContact CZ-CD1 4.2Å; F60-L74 HydrophobicContact CZ-CG 4.24Å; F60-A77 HydrophobicContact CE1-CB 3.96Å; F60-A77 HydrophobicContact CZ-CB 4Å; F60-V171 WeakPolarHBondContact CA-O 3.49Å; F60-V171 HydrophobicContact CD1-CB 3.58Å; F60-V171 HydrophobicContact CD1-CG1 3.77Å; F60-V171 HydrophobicContact CD1-CG2 4.16Å; F60-V171 HydrophobicContact CE1-CB 3.81Å; F60-V171 HydrophobicContact CE1-CG1 3.81Å; F60-V171 HydrophobicContact CE1-CG2 3.95Å; F60-V171 HydrophobicContact CG-CB 4.34Å; F60-V171 HydrophobicContact CZ-CG2 4.47Å
61	T	97.8	Very high	97	Very high	20 Å²	20	67.9 Å²	67.9	12%	0.123	34%	0.342	C	S	.	.			trans	-75	162.5	-177.8	70.7	0	0	0	0	111.7	N63 F64 Y65 A134 V171 D172	T61-N63 PolarHBondContact O-N 3.33Å; T61-N63 PolarHBondContact OG1-N 3.09Å; T61-F64 WeakPolarHBondContact O-CB 3.38Å; T61-F64 PolarHBondContact O-N 2.76Å; T61-F64 PolarHBondContact OG1-N 2.99Å; T61-Y65 VanDerWaalsContact O-CD2 3.27Å; T61-Y65 WeakPolarHBondContact O-CD2 3.4Å; T61-Y65 PolarHBondContact O-N 2.7Å; T61-A134 HydrophobicContact CG2-CB 4.19Å; T61-V171 PolarHBondContact N-O 3.3Å; T61-D172 WeakPolarHBondContact CB-OD1 3.34Å; T61-D172 HydrophobicContact CG2-CB 3.83Å; T61-D172 WeakPolarHBondContact OG1-CA 3.35Å; T61-D172 PolarHBondContact OG1-OD1 3.34Å
62	P	97.8	Very high	97.2	Very high	99 Å²	99	66.9 Å²	66.9	64%	0.643	33%	0.33	S	S	*	.	H	α-helix	trans	-54.9	-33.9	171.4	-28	36.5	0	0	0	113.9	F64 Y65 Q66	P62-F64 VanDerWaalsContact C-N 3.31Å; P62-F64 PolarHBondContact O-N 2.91Å; P62-Y65 PolarHBondContact O-N 3.22Å; P62-Q66 WeakPolarHBondContact O-CG 3.42Å; P62-Q66 PolarHBondContact O-N 3.2Å
63	N	97.5	Very high	97.3	Very high	57 Å²	57	61.3 Å²	61.3	31%	0.305	31%	0.309	S	S	.	.	H	α-helix	trans	-65.2	-35.8	176.9	-55.9	-45.2	0	0	0	111.6	T61 Y65 Q66 D172 I174	T61-N63 PolarHBondContact O-N 3.33Å; T61-N63 PolarHBondContact OG1-N 3.09Å; N63-Y65 VanDerWaalsContact C-N 3.33Å; N63-Y65 PolarHBondContact O-N 3Å; N63-Q66 WeakPolarHBondContact O-CB 3.23Å; N63-Q66 PolarHBondContact O-N 3.03Å; N63-Q66 VanDerWaalsContact O-N 3.17Å; N63-D172 WeakPolarHBondContact CB-OD1 3.43Å; N63-D172 PolarHBondContact ND2-OD1 2.89Å; N63-D172 VanDerWaalsContact ND2-OD1 3.11Å; N63-I174 HydrophobicContact CB-CG1 4.32Å; N63-I174 WeakPolarHBondContact ND2-CD1 3.42Å; N63-I174 WeakPolarHBondContact ND2-CG1 3.18Å
64	F	97.8	Very high	97.4	Very high	0 Å²	0	59 Å²	59	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-61.4	-42.9	176.1	-176.7	-88.7	0	0	0	111.7	F60 T61 P62 Q66 L67 Y70 L73 L74 V171 A173 V206 F225	F60-F64 HydrophobicContact CB-CB 4.48Å; F60-F64 HydrophobicContact CB-CD1 4.05Å; F60-F64 HydrophobicContact CB-CG 4.39Å; F60-F64 AromaticContact CD1-CD1 3.53Å; F60-F64 HydrophobicContact CD1-CD1 3.53Å; F60-F64 HydrophobicContact CD1-CD2 4.15Å; F60-F64 AromaticContact CD1-CE1 3.46Å; F60-F64 HydrophobicContact CD1-CE1 3.46Å; F60-F64 VanDerWaalsContact CD1-CE1 3.46Å; F60-F64 HydrophobicContact CD1-CE2 4.08Å; F60-F64 AromaticContact CD1-CG 3.88Å; F60-F64 HydrophobicContact CD1-CG 3.88Å; F60-F64 AromaticContact CD1-CZ 3.74Å; F60-F64 HydrophobicContact CD1-CZ 3.74Å; F60-F64 HydrophobicContact CE1-CD1 4.39Å; F60-F64 AromaticContact CE1-CE1 3.88Å; F60-F64 HydrophobicContact CE1-CE1 3.88Å; F60-F64 HydrophobicContact CE1-CE2 4.28Å; F60-F64 AromaticContact CE1-CZ 3.8Å; F60-F64 HydrophobicContact CE1-CZ 3.8Å; F60-F64 HydrophobicContact CG-CD1 4.16Å; F60-F64 HydrophobicContact CG-CE1 4.33Å; T61-F64 WeakPolarHBondContact O-CB 3.38Å; T61-F64 PolarHBondContact O-N 2.76Å; T61-F64 PolarHBondContact OG1-N 2.99Å; P62-F64 VanDerWaalsContact C-N 3.31Å; P62-F64 PolarHBondContact O-N 2.91Å; F64-Q66 PolarHBondContact O-N 3.14Å; F64-L67 HydrophobicContact CD2-CD1 4.14Å; F64-L67 HydrophobicContact CE2-CD1 4.34Å; F64-L67 WeakPolarHBondContact O-CB 3.34Å; F64-L67 WeakPolarHBondContact O-CG 3.49Å; F64-L67 PolarHBondContact O-N 3.43Å; F64-L67 VanDerWaalsContact O-N 3.12Å; F64-Y70 WeakPolarHBondContact O-CB 3.41Å; F64-L73 HydrophobicContact CE2-CB 4.24Å; F64-L73 HydrophobicContact CZ-CB 3.71Å; F64-L74 HydrophobicContact CE1-CB 4.27Å; F64-V171 HydrophobicContact CD2-CG1 3.67Å; F64-V171 HydrophobicContact CE2-CG1 3.65Å; F64-V171 HydrophobicContact CG-CG1 4.49Å; F64-V171 HydrophobicContact CZ-CG1 4.48Å; F64-A173 HydrophobicContact CB-CB 4.41Å; F64-V206 HydrophobicContact CE2-CG2 4.22Å; F64-F225 HydrophobicContact CE2-CZ 4.37Å
65	Y	98.1	Very high	97.4	Very high	112 Å²	112	65 Å²	65	44%	0.439	32%	0.316	S	S	.	.	H	α-helix	trans	-68.5	-13.3	177.9	-68.8	-71.2	0	0	0	114	F60 T61 P62 N63 L67 Y70 L74	F60-Y65 HydrophobicContact CB-CE2 3.71Å; T61-Y65 VanDerWaalsContact O-CD2 3.27Å; T61-Y65 WeakPolarHBondContact O-CD2 3.4Å; T61-Y65 PolarHBondContact O-N 2.7Å; P62-Y65 PolarHBondContact O-N 3.22Å; N63-Y65 VanDerWaalsContact C-N 3.33Å; N63-Y65 PolarHBondContact O-N 3Å; Y65-L67 VanDerWaalsContact C-N 3.32Å; Y65-Y70 AromaticContact CD1-CD2 3.55Å; Y65-Y70 HydrophobicContact CD1-CD2 3.55Å; Y65-Y70 AromaticContact CD1-CE2 3.68Å; Y65-Y70 HydrophobicContact CD1-CE2 3.68Å; Y65-Y70 HydrophobicContact CD1-CG 4.28Å; Y65-Y70 HydrophobicContact CE1-CD2 4.07Å; Y65-Y70 HydrophobicContact CE1-CE2 4.08Å; Y65-L74 HydrophobicContact CE1-CD1 4.42Å
66	Q	97	Very high	97.4	Very high	148 Å²	148	60.5 Å²	60.5	69%	0.692	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-6.6	173.5	-66.1	171.7	19.1	0	0	113	P62 N63 F64	P62-Q66 WeakPolarHBondContact O-CG 3.42Å; P62-Q66 PolarHBondContact O-N 3.2Å; N63-Q66 WeakPolarHBondContact O-CB 3.23Å; N63-Q66 PolarHBondContact O-N 3.03Å; N63-Q66 VanDerWaalsContact O-N 3.17Å; F64-Q66 PolarHBondContact O-N 3.14Å
67	L	96.6	Very high	97.4	Very high	13 Å²	13	59.9 Å²	59.9	7%	0.068	29%	0.294	C	S	.	.	S	Bend	trans	-68.6	136.1	176	-67.8	176.6	0	0	0	110.8	F64 Y65 D69 Y70 L73 A173 V206 P208	F64-L67 HydrophobicContact CD2-CD1 4.14Å; F64-L67 HydrophobicContact CE2-CD1 4.34Å; F64-L67 WeakPolarHBondContact O-CB 3.34Å; F64-L67 WeakPolarHBondContact O-CG 3.49Å; F64-L67 PolarHBondContact O-N 3.43Å; F64-L67 VanDerWaalsContact O-N 3.12Å; Y65-L67 VanDerWaalsContact C-N 3.32Å; L67-D69 PolarHBondContact O-N 2.83Å; L67-D69 VanDerWaalsContact O-N 3.12Å; L67-Y70 WeakPolarHBondContact O-CB 3.2Å; L67-Y70 PolarHBondContact O-N 3.15Å; L67-L73 HydrophobicContact CB-CD1 4.13Å; L67-L73 HydrophobicContact CD1-CD1 3.42Å; L67-L73 VanDerWaalsContact CD1-CD1 3.42Å; L67-L73 HydrophobicContact CG-CD1 4.39Å; L67-A173 HydrophobicContact CD1-CB 3.6Å; L67-A173 HydrophobicContact CD2-CB 4Å; L67-A173 HydrophobicContact CG-CB 3.78Å; L67-V206 HydrophobicContact CD1-CB 4.25Å; L67-V206 HydrophobicContact CD1-CG1 4.03Å; L67-P208 HydrophobicContact CD2-CB 4Å; L67-P208 HydrophobicContact CD2-CG 4.32Å
68	P	93.9	Very high	97.4	Very high	119 Å²	119	61.1 Å²	61.1	77%	0.773	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-38.9	-177.6	-29.1	34.8	0	0	0	114.5
69	D	93.8	Very high	97.4	Very high	54 Å²	54	63.4 Å²	63.4	29%	0.289	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109	30.7	-179.9	-70.2	-39.2	0	0	0	113.1	L67 H71 K72 L73 T213	L67-D69 PolarHBondContact O-N 2.83Å; L67-D69 VanDerWaalsContact O-N 3.12Å; D69-H71 PolarHBondContact O-N 3.47Å; D69-K72 HydrophobicContact CB-CB 4.48Å; D69-K72 PolarHBondContact O-N 2.69Å; D69-L73 WeakPolarHBondContact O-CG 3.38Å; D69-L73 PolarHBondContact O-N 2.83Å; D69-L73 VanDerWaalsContact O-N 3.07Å; D69-T213 HydrophobicContact CB-CG2 3.58Å; D69-T213 PolarHBondContact OD2-OG1 2.87Å
70	Y	97.1	Very high	97.4	Very high	98 Å²	98	60.7 Å²	60.7	38%	0.384	30%	0.295	S	S	.	.	H	α-helix	trans	-52	-35.3	-174.6	81.6	-90.8	0	0	0	112.7	F64 Y65 L67 K72 L73 L74	F64-Y70 WeakPolarHBondContact O-CB 3.41Å; Y65-Y70 AromaticContact CD1-CD2 3.55Å; Y65-Y70 HydrophobicContact CD1-CD2 3.55Å; Y65-Y70 AromaticContact CD1-CE2 3.68Å; Y65-Y70 HydrophobicContact CD1-CE2 3.68Å; Y65-Y70 HydrophobicContact CD1-CG 4.28Å; Y65-Y70 HydrophobicContact CE1-CD2 4.07Å; Y65-Y70 HydrophobicContact CE1-CE2 4.08Å; L67-Y70 WeakPolarHBondContact O-CB 3.2Å; L67-Y70 PolarHBondContact O-N 3.15Å; Y70-K72 VanDerWaalsContact C-N 3.34Å; Y70-K72 PolarHBondContact O-N 3.48Å; Y70-L73 PolarHBondContact O-N 3.33Å; Y70-L74 VanDerWaalsContact O-CB 3.24Å; Y70-L74 WeakPolarHBondContact O-CB 3.42Å; Y70-L74 PolarHBondContact O-N 2.86Å
71	H	97.2	Very high	97.4	Very high	84 Å²	84	59.6 Å²	59.6	39%	0.389	29%	0.29	S	S	.	.	H	α-helix	trans	-64.9	-32.9	179.5	69	-81.9	0	0	0	113.3	D69 K75	D69-H71 PolarHBondContact O-N 3.47Å; H71-K75 WeakPolarHBondContact O-CG 3.38Å
72	K	97.2	Very high	97.4	Very high	50 Å²	50	64.6 Å²	64.6	22%	0.217	31%	0.31	C	S	.	.	H	α-helix	trans	-76.9	-44.5	173	-62.5	-177	-177.4	174.7	0	110.4	D69 Y70 L74 K75 F76 T213 E214	D69-K72 HydrophobicContact CB-CB 4.48Å; D69-K72 PolarHBondContact O-N 2.69Å; Y70-K72 VanDerWaalsContact C-N 3.34Å; Y70-K72 PolarHBondContact O-N 3.48Å; K72-L74 VanDerWaalsContact C-N 3.28Å; K72-L74 PolarHBondContact O-N 2.78Å; K72-K75 WeakPolarHBondContact O-CB 3.27Å; K72-K75 PolarHBondContact O-N 2.9Å; K72-K75 VanDerWaalsContact O-N 3.13Å; K72-F76 HydrophobicContact CB-CE2 4.08Å; K72-F76 HydrophobicContact CB-CZ 4.09Å; K72-F76 WeakPolarHBondContact O-CD2 3.08Å; K72-F76 VanDerWaalsContact O-CG 3.27Å; K72-F76 WeakPolarHBondContact O-CG 3.17Å; K72-F76 PolarHBondContact O-N 3.41Å; K72-T213 HydrophobicContact CB-CG2 4.37Å; K72-E214 IonicContact NZ-OE1 3.9Å; K72-E214 PolarHBondContact NZ-OE1 3.18Å; K72-E214 IonicContact NZ-OE2 2.72Å
73	L	97.3	Very high	97.5	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.031	28%	0.282	C	S	.	.	H	α-helix	trans	-60.2	-39.1	178.9	-63.4	178.5	0	0	0	112	F64 L67 D69 Y70 F76 A77 M211 T213 F225	F64-L73 HydrophobicContact CE2-CB 4.24Å; F64-L73 HydrophobicContact CZ-CB 3.71Å; L67-L73 HydrophobicContact CB-CD1 4.13Å; L67-L73 HydrophobicContact CD1-CD1 3.42Å; L67-L73 VanDerWaalsContact CD1-CD1 3.42Å; L67-L73 HydrophobicContact CG-CD1 4.39Å; D69-L73 WeakPolarHBondContact O-CG 3.38Å; D69-L73 PolarHBondContact O-N 2.83Å; D69-L73 VanDerWaalsContact O-N 3.07Å; Y70-L73 PolarHBondContact O-N 3.33Å; L73-F76 HydrophobicContact CD2-CD2 4.08Å; L73-F76 HydrophobicContact CD2-CE2 4.44Å; L73-F76 PolarHBondContact O-N 2.62Å; L73-A77 PolarHBondContact O-N 3.29Å; L73-M211 HydrophobicContact CD2-CB 4.44Å; L73-M211 HydrophobicContact CD2-CG 3.9Å; L73-M211 HydrophobicContact CD2-SD 3.47Å; L73-M211 WeakPolarHBondContact CD2-SD 3.29Å; L73-T213 HydrophobicContact CD2-CG2 3.68Å; L73-T213 HydrophobicContact CG-CG2 4.11Å; L73-F225 HydrophobicContact CB-CE2 4.49Å; L73-F225 HydrophobicContact CB-CZ 4.49Å; L73-F225 HydrophobicContact CD2-CE2 4.41Å; L73-F225 WeakPolarHBondContact O-CE2 3.45Å
74	L	97.8	Very high	97.5	Very high	35 Å²	35	57.6 Å²	57.6	18%	0.183	27%	0.267	C	S	.	.	H	α-helix	trans	-58.2	-48.2	174	-174.9	128.3	0	0	0	110.9	F60 F64 Y65 Y70 K72 F76 A77 E78	F60-L74 HydrophobicContact CD2-CD1 4.15Å; F60-L74 HydrophobicContact CE1-CD1 4.46Å; F60-L74 HydrophobicContact CE2-CD1 4.04Å; F60-L74 HydrophobicContact CE2-CG 4.44Å; F60-L74 HydrophobicContact CG-CD1 4.42Å; F60-L74 HydrophobicContact CZ-CD1 4.2Å; F60-L74 HydrophobicContact CZ-CG 4.24Å; F64-L74 HydrophobicContact CE1-CB 4.27Å; Y65-L74 HydrophobicContact CE1-CD1 4.42Å; Y70-L74 VanDerWaalsContact O-CB 3.24Å; Y70-L74 WeakPolarHBondContact O-CB 3.42Å; Y70-L74 PolarHBondContact O-N 2.86Å; K72-L74 VanDerWaalsContact C-N 3.28Å; K72-L74 PolarHBondContact O-N 2.78Å; L74-F76 VanDerWaalsContact C-N 3.29Å; L74-F76 PolarHBondContact O-N 3.34Å; L74-A77 PolarHBondContact O-N 2.87Å; L74-E78 HydrophobicContact CD2-CG 4.5Å; L74-E78 VanDerWaalsContact CD2-OE1 3.29Å; L74-E78 WeakPolarHBondContact CD2-OE1 3.41Å; L74-E78 WeakPolarHBondContact O-CB 3.21Å; L74-E78 VanDerWaalsContact O-CG 3.3Å; L74-E78 WeakPolarHBondContact O-CG 3.33Å; L74-E78 PolarHBondContact O-N 3.38Å
75	K	98	Very high	97.6	Very high	132 Å²	132	60.4 Å²	60.4	57%	0.574	28%	0.28	S	S	*	.	H	α-helix	trans	-60.9	-36.9	175.5	-67.8	175.2	-178.8	-179.5	0	112.6	H71 K72 Y79	H71-K75 WeakPolarHBondContact O-CG 3.38Å; K72-K75 WeakPolarHBondContact O-CB 3.27Å; K72-K75 PolarHBondContact O-N 2.9Å; K72-K75 VanDerWaalsContact O-N 3.13Å; K75-Y79 WeakPolarHBondContact O-CB 3.47Å; K75-Y79 PolarHBondContact O-N 3.23Å
76	F	97.8	Very high	97.6	Very high	23 Å²	23	59 Å²	59	10%	0.101	28%	0.278	C	S	.	.	H	α-helix	trans	-69.8	-40	177.1	-55.7	-27.9	0	0	0	112	K72 L73 L74 Y79 A80 T213 D218 A221 R222 F225	K72-F76 HydrophobicContact CB-CE2 4.08Å; K72-F76 HydrophobicContact CB-CZ 4.09Å; K72-F76 WeakPolarHBondContact O-CD2 3.08Å; K72-F76 VanDerWaalsContact O-CG 3.27Å; K72-F76 WeakPolarHBondContact O-CG 3.17Å; K72-F76 PolarHBondContact O-N 3.41Å; L73-F76 HydrophobicContact CD2-CD2 4.08Å; L73-F76 HydrophobicContact CD2-CE2 4.44Å; L73-F76 PolarHBondContact O-N 2.62Å; L74-F76 VanDerWaalsContact C-N 3.29Å; L74-F76 PolarHBondContact O-N 3.34Å; F76-Y79 PolarHBondContact O-N 3.36Å; F76-A80 PolarHBondContact O-N 2.97Å; F76-T213 HydrophobicContact CE2-CG2 4.19Å; F76-D218 HydrophobicContact CE1-CB 4.3Å; F76-D218 HydrophobicContact CZ-CB 3.8Å; F76-A221 HydrophobicContact CD2-CB 3.53Å; F76-A221 HydrophobicContact CE2-CB 3.77Å; F76-A221 HydrophobicContact CG-CB 4.32Å; F76-R222 HydrophobicContact CB-CG 3.94Å; F76-R222 HydrophobicContact CD1-CG 3.58Å; F76-R222 HydrophobicContact CE1-CG 4.34Å; F76-R222 HydrophobicContact CG-CG 3.92Å; F76-F225 HydrophobicContact CB-CD2 3.67Å; F76-F225 HydrophobicContact CB-CE2 3.89Å
77	A	98.3	Very high	97.7	Very high	1 Å²	1	52 Å²	52	1%	0.008	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-47.5	173.5	0	0	0	0	0	111.3	F60 L73 L74 Y79 A80 I81 F225	F60-A77 HydrophobicContact CE1-CB 3.96Å; F60-A77 HydrophobicContact CZ-CB 4Å; L73-A77 PolarHBondContact O-N 3.29Å; L74-A77 PolarHBondContact O-N 2.87Å; A77-Y79 VanDerWaalsContact C-N 3.32Å; A77-Y79 PolarHBondContact O-N 3.25Å; A77-A80 PolarHBondContact O-N 3.19Å; A77-A80 VanDerWaalsContact O-N 3.1Å; A77-I81 WeakPolarHBondContact O-CB 3.49Å; A77-I81 WeakPolarHBondContact O-CD1 3.33Å; A77-I81 VanDerWaalsContact O-CG1 3.27Å; A77-I81 WeakPolarHBondContact O-CG1 3.2Å; A77-I81 PolarHBondContact O-N 3.01Å; A77-F225 HydrophobicContact CB-CD1 3.72Å; A77-F225 HydrophobicContact CB-CD2 4.41Å; A77-F225 HydrophobicContact CB-CE1 3.64Å; A77-F225 HydrophobicContact CB-CE2 4.33Å; A77-F225 HydrophobicContact CB-CG 4.12Å; A77-F225 HydrophobicContact CB-CZ 3.96Å
78	E	98.5	Very high	97.8	Very high	97 Å²	97	51.5 Å²	51.5	45%	0.453	24%	0.242	S	C	.	.	H	α-helix	trans	-59.1	-40.8	177	-73.6	174.6	161.9	0	0	112.4	L74 A80 I81 K82	L74-E78 HydrophobicContact CD2-CG 4.5Å; L74-E78 VanDerWaalsContact CD2-OE1 3.29Å; L74-E78 WeakPolarHBondContact CD2-OE1 3.41Å; L74-E78 WeakPolarHBondContact O-CB 3.21Å; L74-E78 VanDerWaalsContact O-CG 3.3Å; L74-E78 WeakPolarHBondContact O-CG 3.33Å; L74-E78 PolarHBondContact O-N 3.38Å; E78-A80 VanDerWaalsContact C-N 3.35Å; E78-A80 PolarHBondContact O-N 3.02Å; E78-I81 PolarHBondContact O-N 3.13Å; E78-K82 WeakPolarHBondContact O-CB 3.37Å; E78-K82 PolarHBondContact O-N 3.4Å
79	Y	98.4	Very high	98	Very high	87 Å²	87	47.9 Å²	47.9	34%	0.341	22%	0.218	S	C	.	.	H	α-helix	trans	-57.6	-47	173.2	167.3	-93.4	0	0	0	111.9	K75 F76 A77 F83 R222 L226	K75-Y79 WeakPolarHBondContact O-CB 3.47Å; K75-Y79 PolarHBondContact O-N 3.23Å; F76-Y79 PolarHBondContact O-N 3.36Å; A77-Y79 VanDerWaalsContact C-N 3.32Å; A77-Y79 PolarHBondContact O-N 3.25Å; Y79-F83 PolarHBondContact O-N 2.86Å; Y79-R222 HydrophobicContact CD1-CB 3.91Å; Y79-R222 HydrophobicContact CD1-CG 3.98Å; Y79-R222 HydrophobicContact CE1-CB 4.04Å; Y79-R222 HydrophobicContact CE1-CG 4.46Å; Y79-R222 HydrophobicContact CG-CG 4.48Å; Y79-L226 HydrophobicContact CE1-CD1 3.9Å; Y79-L226 HydrophobicContact CE1-CG 4.4Å
80	A	98.6	Very high	98.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-69.8	-40.9	-179.4	0	0	0	0	0	112.4	F76 A77 E78 F83 W84 F225 L226 I229	F76-A80 PolarHBondContact O-N 2.97Å; A77-A80 PolarHBondContact O-N 3.19Å; A77-A80 VanDerWaalsContact O-N 3.1Å; E78-A80 VanDerWaalsContact C-N 3.35Å; E78-A80 PolarHBondContact O-N 3.02Å; A80-F83 WeakPolarHBondContact O-CB 3.45Å; A80-F83 PolarHBondContact O-N 3.46Å; A80-W84 PolarHBondContact O-N 2.66Å; A80-W84 VanDerWaalsContact O-N 3.11Å; A80-F225 HydrophobicContact CB-CB 3.57Å; A80-L226 HydrophobicContact CB-CB 4.45Å; A80-L226 HydrophobicContact CB-CD2 3.91Å; A80-L226 HydrophobicContact CB-CG 3.85Å; A80-I229 HydrophobicContact CB-CD1 3.79Å
81	I	98.8	Very high	98.1	Very high	16 Å²	16	42.7 Å²	42.7	8%	0.082	20%	0.195	C	C	.	.	H	α-helix	trans	-55.2	-54.7	173.5	-72.8	161.1	0	0	0	109.7	F56 T58 A77 E78 F83 W84 E85 L169 I229	F56-I81 HydrophobicContact CB-CG2 3.77Å; F56-I81 HydrophobicContact CD2-CG2 3.75Å; F56-I81 HydrophobicContact CG-CG2 3.94Å; T58-I81 HydrophobicContact CG2-CD1 3.85Å; T58-I81 WeakPolarHBondContact OG1-CD1 3.3Å; A77-I81 WeakPolarHBondContact O-CB 3.49Å; A77-I81 WeakPolarHBondContact O-CD1 3.33Å; A77-I81 VanDerWaalsContact O-CG1 3.27Å; A77-I81 WeakPolarHBondContact O-CG1 3.2Å; A77-I81 PolarHBondContact O-N 3.01Å; E78-I81 PolarHBondContact O-N 3.13Å; I81-F83 VanDerWaalsContact C-N 3.3Å; I81-F83 PolarHBondContact O-N 3.5Å; I81-W84 PolarHBondContact O-N 3.18Å; I81-W84 VanDerWaalsContact O-N 3.07Å; I81-E85 HydrophobicContact CG2-CG 4.42Å; I81-E85 WeakPolarHBondContact O-CG 3.02Å; I81-E85 PolarHBondContact O-N 3.48Å; I81-L169 HydrophobicContact CD1-CD2 4.19Å; I81-L169 HydrophobicContact CG1-CD2 4.03Å; I81-I229 HydrophobicContact CG1-CD1 3.78Å
82	K	98.8	Very high	97.8	Very high	125 Å²	125	43 Å²	43	54%	0.543	20%	0.196	S	C	.	.	H	α-helix	trans	-59	-40.7	-179.7	-179.4	172	176.2	172.7	0	112.2	E78 W84 E85 E86	E78-K82 WeakPolarHBondContact O-CB 3.37Å; E78-K82 PolarHBondContact O-N 3.4Å; K82-W84 VanDerWaalsContact C-N 3.33Å; K82-W84 PolarHBondContact O-N 2.96Å; K82-E85 PolarHBondContact O-N 3.32Å; K82-E86 WeakPolarHBondContact CE-OE1 3.35Å; K82-E86 HydrophobicContact CG-CG 4.47Å; K82-E86 WeakPolarHBondContact CG-OE1 3.42Å; K82-E86 WeakPolarHBondContact O-CB 2.81Å; K82-E86 VanDerWaalsContact O-CG 3.31Å; K82-E86 WeakPolarHBondContact O-CG 3.11Å; K82-E86 PolarHBondContact O-N 2.97Å
83	F	98.8	Very high	97.4	Very high	10 Å²	10	40.7 Å²	40.7	4%	0.044	19%	0.185	C	C	.	.	H	α-helix	trans	-57.2	-47.3	175.3	174.8	-84.4	0	0	0	111.7	Y79 A80 I81 E86 A87 L226 V353 K373 M375	Y79-F83 PolarHBondContact O-N 2.86Å; A80-F83 WeakPolarHBondContact O-CB 3.45Å; A80-F83 PolarHBondContact O-N 3.46Å; I81-F83 VanDerWaalsContact C-N 3.3Å; I81-F83 PolarHBondContact O-N 3.5Å; F83-E86 PolarHBondContact O-N 3.26Å; F83-A87 HydrophobicContact CE1-CB 4.18Å; F83-A87 VanDerWaalsContact O-CB 3.26Å; F83-A87 WeakPolarHBondContact O-CB 3.05Å; F83-A87 PolarHBondContact O-N 2.83Å; F83-L226 HydrophobicContact CB-CD2 3.69Å; F83-L226 HydrophobicContact CD1-CD2 3.39Å; F83-L226 HydrophobicContact CD2-CD2 4.47Å; F83-L226 HydrophobicContact CE1-CD2 4.2Å; F83-L226 HydrophobicContact CG-CD2 3.58Å; F83-V353 HydrophobicContact CE1-CB 4.08Å; F83-V353 HydrophobicContact CE1-CG1 3.77Å; F83-V353 HydrophobicContact CE1-CG2 3.82Å; F83-V353 HydrophobicContact CE2-CB 4.5Å; F83-V353 HydrophobicContact CE2-CG2 4.37Å; F83-V353 HydrophobicContact CZ-CB 3.65Å; F83-V353 HydrophobicContact CZ-CG1 3.66Å; F83-V353 HydrophobicContact CZ-CG2 3.7Å; F83-K373 HydrophobicContact CE2-CB 4.12Å; F83-K373 WeakPolarHBondContact CE2-O 3.19Å; F83-K373 HydrophobicContact CZ-CB 4.16Å; F83-M375 HydrophobicContact CD2-CE 4.04Å; F83-M375 HydrophobicContact CE2-CE 3.72Å; F83-M375 HydrophobicContact CZ-CE 4.43Å
84	W	98.8	Very high	96.6	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-70.2	-37.2	-178.4	-73	120.4	0	0	0	112.8	F56 A80 I81 K82 E86 A87 L88 L226 I229 L233 V353 T357 L358 F361	F56-W84 HydrophobicContact CE2-CB 3.82Å; F56-W84 HydrophobicContact CZ-CB 4.2Å; A80-W84 PolarHBondContact O-N 2.66Å; A80-W84 VanDerWaalsContact O-N 3.11Å; I81-W84 PolarHBondContact O-N 3.18Å; I81-W84 VanDerWaalsContact O-N 3.07Å; K82-W84 VanDerWaalsContact C-N 3.33Å; K82-W84 PolarHBondContact O-N 2.96Å; W84-E86 VanDerWaalsContact C-N 3.32Å; W84-E86 PolarHBondContact O-N 3.24Å; W84-A87 HydrophobicContact CE3-CB 4.38Å; W84-A87 PolarHBondContact O-N 2.04Å; W84-L88 HydrophobicContact CE3-CD1 3.83Å; W84-L88 HydrophobicContact CE3-CG 4.13Å; W84-L88 HydrophobicContact CZ3-CD1 4.44Å; W84-L88 WeakPolarHBondContact O-CB 3.3Å; W84-L88 PolarHBondContact O-N 2.74Å; W84-L226 WeakPolarHBondContact CZ2-O 3.37Å; W84-L226 PolarHBondContact NE1-O 3.09Å; W84-I229 HydrophobicContact CG-CG2 4.02Å; W84-L233 HydrophobicContact CB-CD1 4.09Å; W84-L233 HydrophobicContact CD2-CD1 3.87Å; W84-L233 HydrophobicContact CE3-CD1 4.16Å; W84-L233 HydrophobicContact CG-CD1 3.84Å; W84-V353 HydrophobicContact CH2-CG1 4.1Å; W84-T357 HydrophobicContact CH2-CG2 4.16Å; W84-L358 HydrophobicContact CZ3-CD2 4.17Å; W84-F361 HydrophobicContact CE3-CE2 4.36Å; W84-F361 HydrophobicContact CH2-CD2 4.18Å; W84-F361 AromaticContact CH2-CE2 3.36Å; W84-F361 HydrophobicContact CH2-CE2 3.36Å; W84-F361 AromaticContact CH2-CZ 3.92Å; W84-F361 HydrophobicContact CH2-CZ 3.92Å; W84-F361 HydrophobicContact CZ2-CE2 4.34Å; W84-F361 AromaticContact CZ3-CD2 3.77Å; W84-F361 HydrophobicContact CZ3-CD2 3.77Å; W84-F361 AromaticContact CZ3-CE2 3.36Å; W84-F361 HydrophobicContact CZ3-CE2 3.36Å; W84-F361 AromaticContact CZ3-CZ 3.97Å; W84-F361 HydrophobicContact CZ3-CZ 3.97Å
85	E	98.7	Very high	95.3	Very high	59 Å²	59	40.8 Å²	40.8	28%	0.276	19%	0.19	S	C	.	.	H	α-helix	trans	-60.5	-40.6	171.9	-66.5	-173.1	143	0	0	112.2	K55 F56 I81 K82 A87	K55-E85 WeakPolarHBondContact CA-OE1 3.19Å; F56-E85 HydrophobicContact CD2-CG 3.56Å; F56-E85 HydrophobicContact CE2-CG 4.13Å; F56-E85 PolarHBondContact N-OE1 3.28Å; I81-E85 HydrophobicContact CG2-CG 4.42Å; I81-E85 WeakPolarHBondContact O-CG 3.02Å; I81-E85 PolarHBondContact O-N 3.48Å; K82-E85 PolarHBondContact O-N 3.32Å; E85-A87 VanDerWaalsContact C-N 3.34Å
86	E	98.7	Very high	94.5	Very high	83 Å²	83	34.6 Å²	34.6	39%	0.388	17%	0.165	S	C	.	.	H	α-helix	trans	-75.3	-23.6	177.9	-69.9	175.8	-174.3	0	0	113.3	K82 F83 W84 N370 K373	K82-E86 WeakPolarHBondContact CE-OE1 3.35Å; K82-E86 HydrophobicContact CG-CG 4.47Å; K82-E86 WeakPolarHBondContact CG-OE1 3.42Å; K82-E86 WeakPolarHBondContact O-CB 2.81Å; K82-E86 VanDerWaalsContact O-CG 3.31Å; K82-E86 WeakPolarHBondContact O-CG 3.11Å; K82-E86 PolarHBondContact O-N 2.97Å; F83-E86 PolarHBondContact O-N 3.26Å; W84-E86 VanDerWaalsContact C-N 3.32Å; W84-E86 PolarHBondContact O-N 3.24Å; E86-N370 PolarHBondContact O-ND2 2.96Å; E86-K373 HydrophobicContact CB-CD 4.07Å; E86-K373 HydrophobicContact CB-CG 4.44Å; E86-K373 WeakPolarHBondContact OE2-CE 3.3Å; E86-K373 IonicContact OE2-NZ 2.88Å; E86-K373 PolarHBondContact OE2-NZ 2.9Å
87	A	98.8	Very high	94.3	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.008	18%	0.176	C	C	.	.	H	α-helix	trans	-86.9	-29.2	-178.5	0	0	0	0	0	113.1	F83 W84 E85 L358 V369 N370 K373	F83-A87 HydrophobicContact CE1-CB 4.18Å; F83-A87 VanDerWaalsContact O-CB 3.26Å; F83-A87 WeakPolarHBondContact O-CB 3.05Å; F83-A87 PolarHBondContact O-N 2.83Å; W84-A87 HydrophobicContact CE3-CB 4.38Å; W84-A87 PolarHBondContact O-N 2.04Å; E85-A87 VanDerWaalsContact C-N 3.34Å; A87-L358 HydrophobicContact CB-CD2 4.29Å; A87-V369 WeakPolarHBondContact O-CA 3.24Å; A87-N370 PolarHBondContact O-N 3.39Å; A87-K373 HydrophobicContact CB-CB 4.05Å; A87-K373 HydrophobicContact CB-CG 4.09Å
88	L	98.8	Very high	94.1	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	130.3	-166.6	-55.3	-178.9	0	0	0	113.1	L54 W84 L233 F361 Y367 V369	L54-L88 HydrophobicContact CB-CB 4.29Å; L54-L88 VanDerWaalsContact CB-O 3.23Å; L54-L88 WeakPolarHBondContact CB-O 3.47Å; L54-L88 HydrophobicContact CD2-CB 4.03Å; L54-L88 HydrophobicContact CD2-CD1 4.05Å; L54-L88 PolarHBondContact N-O 2.57Å; L54-L88 VanDerWaalsContact N-O 3.07Å; W84-L88 HydrophobicContact CE3-CD1 3.83Å; W84-L88 HydrophobicContact CE3-CG 4.13Å; W84-L88 HydrophobicContact CZ3-CD1 4.44Å; W84-L88 WeakPolarHBondContact O-CB 3.3Å; W84-L88 PolarHBondContact O-N 2.74Å; L88-L233 HydrophobicContact CD1-CD1 3.77Å; L88-F361 HydrophobicContact CD1-CD1 4.05Å; L88-F361 HydrophobicContact CD1-CE1 4.47Å; L88-F361 HydrophobicContact CD1-CG 4.22Å; L88-F361 HydrophobicContact CD2-CB 3.66Å; L88-F361 HydrophobicContact CD2-CD2 4.42Å; L88-F361 HydrophobicContact CD2-CG 3.97Å; L88-Y367 HydrophobicContact CB-CD1 3.9Å; L88-Y367 HydrophobicContact CB-CG 4.23Å; L88-Y367 HydrophobicContact CD1-CD1 4.32Å; L88-Y367 HydrophobicContact CD1-CD2 4.39Å; L88-Y367 HydrophobicContact CD1-CE1 4.46Å; L88-Y367 HydrophobicContact CD1-CG 4.29Å; L88-Y367 HydrophobicContact CD2-CG 4.37Å; L88-V369 HydrophobicContact CD2-CG1 4.46Å; L88-V369 HydrophobicContact CD2-CG2 3.83Å
89	T	98.4	Very high	94	Very high	43 Å²	43	32.7 Å²	32.7	26%	0.264	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123	168.6	-60.1	0	0	0	0	108.2	P51 R52 K91 Y367 N368	P51-T89 HydrophobicContact CB-CG2 3.78Å; R52-T89 VanDerWaalsContact C-CG2 3.49Å; R52-T89 CarbonylContact O-C 3.56Å; R52-T89 WeakPolarHBondContact O-CG2 3.39Å; T89-K91 PolarHBondContact O-N 3Å; T89-Y367 CarbonylContact O-C 3.58Å; T89-Y367 VanDerWaalsContact O-CA 3.25Å; T89-Y367 WeakPolarHBondContact O-CA 3.39Å; T89-N368 PolarHBondContact N-O 3.5Å; T89-N368 PolarHBondContact O-N 3.34Å
90	V	96.9	Very high	93.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.2	119.5	175.6	178.7	0	0	0	0	109	P51 R52 L54 P93 A165 Y367	P51-V90 VanDerWaalsContact CA-O 3.23Å; P51-V90 WeakPolarHBondContact CA-O 3.31Å; R52-V90 PolarHBondContact N-O 3.38Å; R52-V90 VanDerWaalsContact N-O 3.07Å; R52-V90 WeakPolarHBondContact O-CA 3.3Å; R52-V90 WeakPolarHBondContact O-CB 3.39Å; R52-V90 PolarHBondContact O-N 3.37Å; L54-V90 HydrophobicContact CB-CG2 4.33Å; L54-V90 HydrophobicContact CD1-CG2 4.13Å; V90-P93 HydrophobicContact CG1-CB 4.4Å; V90-P93 HydrophobicContact CG1-CG 4.2Å; V90-A165 HydrophobicContact CB-CB 4.32Å; V90-A165 HydrophobicContact CG2-CB 4.2Å; V90-Y367 HydrophobicContact CG2-CD1 4.29Å; V90-Y367 HydrophobicContact CG2-CE1 4.02Å
91	K	94.7	Very high	93.7	Very high	44 Å²	44	30.6 Å²	30.6	19%	0.191	15%	0.147	C	C	.	.	S	Bend	trans	-72.7	-41	-170.9	-172.9	172.6	-172.5	172.1	0	112.9	T89 P246 W366	T89-K91 PolarHBondContact O-N 3Å; K91-P246 WeakPolarHBondContact CE-O 3.45Å; K91-P246 PolarHBondContact NZ-O 2.78Å; K91-W366 WeakPolarHBondContact CB-O 3.45Å; K91-W366 PolarHBondContact N-O 2.76Å
92	K	92.1	Very high	93.5	Very high	91 Å²	91	30 Å²	30	40%	0.396	14%	0.144	S	C	.	.			trans	-134.9	98.3	175.8	-66.9	-171.2	-178.9	-170.3	0	108	G94 T196 N247	K92-G94 PolarHBondContact O-N 3.37Å; K92-T196 HydrophobicContact CB-CG2 4.13Å; K92-N247 PolarHBondContact NZ-O 3.31Å
93	P	89.6	Confident	93.4	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.128	C	C	.	.			trans	-63.5	-24.6	-178.3	-26.2	36.7	0	0	0	114.5	A50 R52 V90 S164 H193	A50-P93 VanDerWaalsContact O-CD 3.24Å; A50-P93 WeakPolarHBondContact O-CD 3.48Å; A50-P93 VanDerWaalsContact O-CG 3.24Å; A50-P93 WeakPolarHBondContact O-CG 3.03Å; R52-P93 HydrophobicContact CB-CG 4.1Å; R52-P93 HydrophobicContact CG-CG 4.17Å; V90-P93 HydrophobicContact CG1-CB 4.4Å; V90-P93 HydrophobicContact CG1-CG 4.2Å; P93-S164 WeakPolarHBondContact O-CB 3.48Å; P93-S164 VanDerWaalsContact O-O 3.07Å; P93-H193 PolarHBondContact O-NE2 2.55Å
94	G	79.3	Confident	93.3	Very high	7 Å²	7	26 Å²	26	7%	0.072	13%	0.125	C	C	.	.			trans	90.5	177.5	-176.9	0	0	0	0	0	112.9	K92 G96	K92-G94 PolarHBondContact O-N 3.37Å; G94-G96 PolarHBondContact O-N 3.23Å
95	S	70.7	Confident	93.2	Very high	36 Å²	36	31 Å²	31	25%	0.252	15%	0.149	S	C	.	.	S	Bend	trans	-84.8	6.3	-165.4	57.3	0	0	0	0	116.3	E195	S95-E195 PolarHBondContact OG-OE1 3.07Å
96	G	81.7	Confident	93	Very high	3 Å²	3	30.8 Å²	30.8	3%	0.031	15%	0.154	C	C	.	.	S	Bend	trans	167.5	-164.1	177.8	0	0	0	0	0	112.8	G94 S164	G94-G96 PolarHBondContact O-N 3.23Å; G96-S164 PolarHBondContact O-OG 3.49Å
97	K	92.3	Very high	92.7	Very high	77 Å²	77	29.4 Å²	29.4	34%	0.335	16%	0.162	S	C	.	.			trans	-76.8	156.8	173.6	-58.8	-173.5	-176.4	175.1	0	111.3	L39 S160 I162	L39-K97 HydrophobicContact CB-CB 4.27Å; L39-K97 HydrophobicContact CD2-CB 4.29Å; L39-K97 HydrophobicContact CD2-CD 4.49Å; L39-K97 PolarHBondContact N-O 2.8Å; K97-S160 WeakPolarHBondContact CD-O 3.47Å; K97-S160 PolarHBondContact NZ-O 2.96Å; K97-S160 VanDerWaalsContact NZ-O 3.11Å; K97-I162 CarbonylContact C-O 3.5Å; K97-I162 WeakPolarHBondContact CA-O 3.3Å; K97-I162 WeakPolarHBondContact CB-O 3.48Å
98	Q	94.5	Very high	92.4	Very high	2 Å²	2	37.8 Å²	37.8	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148.3	-175.5	-64	-65.1	-53.3	0	0	111.6	T36 I37 G161 I162 H193 I200	T36-Q98 HydrophobicContact CG2-CB 4.21Å; T36-Q98 PolarHBondContact OG1-OE1 3.01Å; I37-Q98 CarbonylContact O-C 3.5Å; I37-Q98 WeakPolarHBondContact O-CA 3.44Å; I37-Q98 PolarHBondContact O-OE1 3.23Å; Q98-G161 CarbonylContact O-C 3.53Å; Q98-G161 WeakPolarHBondContact O-CA 3.47Å; Q98-I162 HydrophobicContact CB-CB 4.35Å; Q98-I162 PolarHBondContact N-O 3.38Å; Q98-I162 WeakPolarHBondContact O-CG1 3.44Å; Q98-I162 PolarHBondContact O-N 2.81Å; Q98-H193 PolarHBondContact NE2-NE2 3.39Å; Q98-I200 HydrophobicContact CB-CD1 3.7Å; Q98-I200 HydrophobicContact CG-CD1 3.9Å
99	L	95.9	Very high	92.2	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	139.9	178.5	-68.8	166.6	0	0	0	111.5	T36 I37 L39 Y140 N158	T36-L99 CarbonylContact C-O 3.6Å; T36-L99 VanDerWaalsContact CA-O 3.29Å; T36-L99 WeakPolarHBondContact CA-O 3.43Å; T36-L99 WeakPolarHBondContact CB-O 3.35Å; I37-L99 HydrophobicContact CG1-CB 3.96Å; I37-L99 PolarHBondContact N-O 3.47Å; I37-L99 PolarHBondContact O-N 3.33Å; L39-L99 HydrophobicContact CB-CD1 3.93Å; L39-L99 HydrophobicContact CB-CG 4.21Å; L39-L99 HydrophobicContact CD1-CD1 3.75Å; L39-L99 HydrophobicContact CG-CD1 4.28Å; L99-Y140 WeakPolarHBondContact CA-O 3.41Å; L99-N158 HydrophobicContact CD1-CB 3.9Å; L99-N158 WeakPolarHBondContact CD1-OD1 3.5Å
100	A	96.5	Very high	92	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.008	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-67.2	134.9	166.3	0	0	0	0	0	109.6	R102 V129 I136 Y140 V141 G142 L191	A100-R102 PolarHBondContact O-N 2.81Å; A100-V129 HydrophobicContact CB-CG1 4.41Å; A100-I136 HydrophobicContact CB-CD1 4Å; A100-Y140 WeakPolarHBondContact CB-O 3.07Å; A100-Y140 PolarHBondContact N-O 2.5Å; A100-V141 HydrophobicContact CB-CG2 4.47Å; A100-G142 PolarHBondContact O-N 2.8Å; A100-L191 HydrophobicContact CB-CD1 3.4Å
101	K	95.2	Very high	91.8	Very high	42 Å²	42	50.3 Å²	50.3	18%	0.183	24%	0.243	C	C	.	.			trans	-69.4	130.2	177.3	-70	171.3	-177.3	173.2	0	110.3	I37 Y103 I118	I37-K101 HydrophobicContact CG2-CD 4.08Å; I37-K101 HydrophobicContact CG2-CG 3.73Å; K101-Y103 HydrophobicContact CB-CD2 4.36Å; K101-Y103 HydrophobicContact CB-CE1 4.07Å; K101-Y103 HydrophobicContact CB-CE2 3.88Å; K101-Y103 HydrophobicContact CD-CE1 4.05Å; K101-Y103 HydrophobicContact CD-CE2 4.44Å; K101-Y103 WeakPolarHBondContact CD-OH 3.22Å; K101-Y103 PolarHBondContact O-N 3.49Å; K101-I118 HydrophobicContact CB-CD1 3.77Å; K101-I118 HydrophobicContact CD-CD1 4.35Å; K101-I118 HydrophobicContact CG-CD1 4.09Å
102	R	95.4	Very high	91.4	Very high	4 Å²	4	49.4 Å²	49.4	2%	0.015	24%	0.241	C	C	.	.			trans	-92.7	95.4	171.2	-172.6	178	-65	-89.8	7.8	109	A100 Q126 R127 V129 D138 V141 G142 C144	A100-R102 PolarHBondContact O-N 2.81Å; R102-Q126 WeakPolarHBondContact CD-O 3.16Å; R102-Q126 WeakPolarHBondContact CG-O 3.43Å; R102-Q126 PolarHBondContact NH1-O 2.9Å; R102-R127 PolarHBondContact NH1-O 2.98Å; R102-V129 HydrophobicContact CB-CG2 4.1Å; R102-V129 HydrophobicContact CG-CG2 3.96Å; R102-D138 IonicContact CZ-OD1 3.22Å; R102-D138 IonicContact NH2-OD1 3.6Å; R102-D138 PolarHBondContact NH2-OD1 2.94Å; R102-V141 HydrophobicContact CB-CG1 3.85Å; R102-V141 HydrophobicContact CG-CG1 4.37Å; R102-V141 VanDerWaalsContact CZ-CG1 3.47Å; R102-V141 VanDerWaalsContact NH2-CG1 3.29Å; R102-G142 WeakPolarHBondContact CB-O 3.31Å; R102-G142 PolarHBondContact NE-O 2.75Å; R102-C144 HydrophobicContact CB-CB 4.06Å; R102-C144 HydrophobicContact CG-CB 3.97Å
103	Y	95.7	Very high	91	Very high	50 Å²	50	54.2 Å²	54.2	20%	0.196	27%	0.265	C	S	.	.			trans	-75.9	176.4	179.3	-66.6	-62.6	0	0	0	111.8	D34 K101 Y109 I118 Q126	D34-Y103 PolarHBondContact OD2-OH 3.06Å; K101-Y103 HydrophobicContact CB-CD2 4.36Å; K101-Y103 HydrophobicContact CB-CE1 4.07Å; K101-Y103 HydrophobicContact CB-CE2 3.88Å; K101-Y103 HydrophobicContact CD-CE1 4.05Å; K101-Y103 HydrophobicContact CD-CE2 4.44Å; K101-Y103 WeakPolarHBondContact CD-OH 3.22Å; K101-Y103 PolarHBondContact O-N 3.49Å; Y103-Y109 AromaticContact CD1-CD1 3.4Å; Y103-Y109 HydrophobicContact CD1-CD1 3.4Å; Y103-Y109 HydrophobicContact CD1-CD2 4.32Å; Y103-Y109 AromaticContact CD1-CE1 3.58Å; Y103-Y109 HydrophobicContact CD1-CE1 3.58Å; Y103-Y109 HydrophobicContact CD1-CE2 4.47Å; Y103-Y109 AromaticContact CD1-CG 3.79Å; Y103-Y109 HydrophobicContact CD1-CG 3.79Å; Y103-Y109 AromaticContact CE1-CD1 3.66Å; Y103-Y109 HydrophobicContact CE1-CD1 3.66Å; Y103-Y109 HydrophobicContact CE1-CD2 4.32Å; Y103-Y109 AromaticContact CE1-CE1 3.3Å; Y103-Y109 HydrophobicContact CE1-CE1 3.3Å; Y103-Y109 HydrophobicContact CE1-CE2 4.03Å; Y103-Y109 HydrophobicContact CE1-CG 4.16Å; Y103-Y109 AromaticContact CE1-CZ 3.51Å; Y103-Y109 HydrophobicContact CG-CD1 4.47Å; Y103-I118 HydrophobicContact CD1-CD1 3.71Å; Y103-I118 HydrophobicContact CE1-CD1 3.73Å; Y103-Q126 VanDerWaalsContact O-CB 3.3Å; Y103-Q126 WeakPolarHBondContact O-CB 3.26Å; Y103-Q126 VanDerWaalsContact O-CG 3.25Å; Y103-Q126 WeakPolarHBondContact O-CG 3.43Å; Y103-Q126 PolarHBondContact O-N 3.05Å
104	C	97.2	Very high	90.4	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-87.1	152.4	178.2	-52.3	0	0	0	0	111.5	S106 G107 Y108 C120 N124	C104-S106 PolarHBondContact O-N 3.04Å; C104-G107 PolarHBondContact O-N 3.46Å; C104-Y108 WeakPolarHBondContact CB-O 3.41Å; C104-Y108 PolarHBondContact SG-O 3.16Å; C104-C120 WeakPolarHBondContact CA-SG 3.29Å; C104-C120 HydrophobicContact CB-CB 3.75Å; C104-C120 WeakPolarHBondContact CB-SG 3.41Å; C104-C120 WeakPolarHBondContact SG-CA 3.46Å; C104-C120 WeakPolarHBondContact SG-CB 3.33Å; C104-C120 CovalentContact SG-SG 2.02Å; C104-C120 PolarHBondContact SG-SG 3.18Å; C104-N124 WeakPolarHBondContact CA-O 3.23Å
105	E	96.8	Very high	90.3	Very high	107 Å²	107	61.5 Å²	61.5	50%	0.5	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-31.7	177	-68.7	179.7	165.6	0	0	112.1	G107 N124 Q126	E105-G107 PolarHBondContact O-N 3.1Å; E105-N124 HydrophobicContact CG-CB 4.4Å; E105-N124 PolarHBondContact N-O 3.09Å; E105-N124 WeakPolarHBondContact OE2-CB 3.47Å; E105-N124 PolarHBondContact OE2-ND2 3.39Å; E105-N124 VanDerWaalsContact OE2-ND2 3.17Å; E105-Q126 HydrophobicContact CG-CG 4.25Å
106	S	94.5	Very high	90.8	Very high	53 Å²	53	64.8 Å²	64.8	37%	0.371	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-14.6	175.6	65.1	0	0	0	0	114.1	C104 Y108 S123	C104-S106 PolarHBondContact O-N 3.04Å; S106-Y108 WeakPolarHBondContact O-CD2 3.46Å; S106-Y108 PolarHBondContact O-N 3.33Å; S106-Y108 PolarHBondContact OG-N 3.19Å; S106-Y108 PolarHBondContact OG-O 2.82Å; S106-S123 VanDerWaalsContact CB-OG 3.32Å; S106-S123 WeakPolarHBondContact CB-OG 3.38Å; S106-S123 PolarHBondContact N-OG 3.11Å; S106-S123 PolarHBondContact OG-OG 3.2Å
107	G	91.1	Very high	91.2	Very high	54 Å²	54	64.9 Å²	64.9	56%	0.557	34%	0.336	S	S	*	.	S	Bend	trans	77.9	-8.5	-169.8	0	0	0	0	0	114.7	C104 E105	C104-G107 PolarHBondContact O-N 3.46Å; E105-G107 PolarHBondContact O-N 3.1Å
108	Y	93.7	Very high	91.2	Very high	178 Å²	178	61.6 Å²	61.6	70%	0.698	32%	0.322	S	S	*	.			trans	-103.2	129	175.1	-59.5	-82.7	0	0	0	110	C104 S106	C104-Y108 WeakPolarHBondContact CB-O 3.41Å; C104-Y108 PolarHBondContact SG-O 3.16Å; S106-Y108 WeakPolarHBondContact O-CD2 3.46Å; S106-Y108 PolarHBondContact O-N 3.33Å; S106-Y108 PolarHBondContact OG-N 3.19Å; S106-Y108 PolarHBondContact OG-O 2.82Å
109	Y	93.9	Very high	91.3	Very high	95 Å²	95	63.1 Å²	63.1	37%	0.373	33%	0.328	S	S	.	.			trans	-137.2	159.3	-178	73	-89.6	0	0	0	110.9	Y103 I118	Y103-Y109 AromaticContact CD1-CD1 3.4Å; Y103-Y109 HydrophobicContact CD1-CD1 3.4Å; Y103-Y109 HydrophobicContact CD1-CD2 4.32Å; Y103-Y109 AromaticContact CD1-CE1 3.58Å; Y103-Y109 HydrophobicContact CD1-CE1 3.58Å; Y103-Y109 HydrophobicContact CD1-CE2 4.47Å; Y103-Y109 AromaticContact CD1-CG 3.79Å; Y103-Y109 HydrophobicContact CD1-CG 3.79Å; Y103-Y109 AromaticContact CE1-CD1 3.66Å; Y103-Y109 HydrophobicContact CE1-CD1 3.66Å; Y103-Y109 HydrophobicContact CE1-CD2 4.32Å; Y103-Y109 AromaticContact CE1-CE1 3.3Å; Y103-Y109 HydrophobicContact CE1-CE1 3.3Å; Y103-Y109 HydrophobicContact CE1-CE2 4.03Å; Y103-Y109 HydrophobicContact CE1-CG 4.16Å; Y103-Y109 AromaticContact CE1-CZ 3.51Å; Y103-Y109 HydrophobicContact CG-CD1 4.47Å; Y109-I118 HydrophobicContact CD2-CD1 4.26Å; Y109-I118 HydrophobicContact CD2-CG1 4.03Å; Y109-I118 HydrophobicContact CD2-CG2 4.16Å; Y109-I118 HydrophobicContact CE2-CD1 4.5Å; Y109-I118 HydrophobicContact CE2-CG1 4.45Å; Y109-I118 HydrophobicContact CG-CG2 4.26Å
110	Y	94.4	Very high	91.4	Very high	98 Å²	98	63 Å²	63	38%	0.384	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	160.1	178.7	-58.2	-92.4	0	0	0	109.3	I118 Y119 R121	Y110-I118 CarbonylContact O-C 3.58Å; Y110-I118 WeakPolarHBondContact O-CA 3.33Å; Y110-Y119 WeakPolarHBondContact CB-OH 3.17Å; Y110-Y119 HydrophobicContact CD2-CD2 4.45Å; Y110-Y119 AromaticContact CD2-CE2 3.98Å; Y110-Y119 HydrophobicContact CD2-CE2 3.98Å; Y110-Y119 HydrophobicContact CG-CE1 4.21Å; Y110-Y119 AromaticContact CG-CE2 3.94Å; Y110-Y119 HydrophobicContact CG-CE2 3.94Å; Y110-Y119 AromaticContact CG-CZ 3.71Å; Y110-Y119 PolarHBondContact N-O 3.3Å; Y110-Y119 PolarHBondContact O-N 2.92Å; Y110-R121 HydrophobicContact CD2-CB 4.07Å; Y110-R121 HydrophobicContact CE2-CB 3.72Å
111	Q	92.2	Very high	91.4	Very high	114 Å²	114	67.8 Å²	67.8	53%	0.533	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	132.6	176.2	-70.4	-177.7	-45.6	0	0	110.4	H113 S117 Y119	Q111-H113 PolarHBondContact O-N 3.06Å; Q111-S117 CarbonylContact C-O 3.5Å; Q111-S117 VanDerWaalsContact CA-O 3.3Å; Q111-S117 WeakPolarHBondContact CA-O 3.32Å; Q111-Y119 WeakPolarHBondContact O-CE1 2.91Å
112	V	87.6	Confident	91.3	Very high	25 Å²	25	74.9 Å²	74.9	15%	0.152	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-65	130.3	172.6	-179.4	0	0	0	0	108.3	G114 N115 S117 Y119 Y145 L152	V112-G114 PolarHBondContact O-N 2.88Å; V112-N115 WeakPolarHBondContact CB-OD1 3.39Å; V112-N115 PolarHBondContact O-N 2.98Å; V112-S117 PolarHBondContact N-O 2.86Å; V112-Y119 HydrophobicContact CG2-CD1 3.79Å; V112-Y119 HydrophobicContact CG2-CG 4.36Å; V112-Y145 HydrophobicContact CG2-CD2 4.18Å; V112-Y145 HydrophobicContact CG2-CG 4.5Å; V112-L152 HydrophobicContact CG1-CD1 4.17Å; V112-L152 HydrophobicContact CG2-CD1 3.88Å
113	H	81.9	Confident	91.4	Very high	192 Å²	192	75.6 Å²	75.6	89%	0.889	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61	120.2	-177.4	-166.7	-77.2	0	0	0	110.3	Q111	Q111-H113 PolarHBondContact O-N 3.06Å
114	G	78.7	Confident	91.5	Very high	80 Å²	80	76.9 Å²	76.9	83%	0.825	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	94.5	-8.4	173.1	0	0	0	0	0	117.5	V112	V112-G114 PolarHBondContact O-N 2.88Å
115	N	77.3	Confident	91.5	Very high	79 Å²	79	77 Å²	77	42%	0.422	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138.3	12.7	-179.4	83.1	-4.9	0	0	0	116.6	V112 S117	V112-N115 WeakPolarHBondContact CB-OD1 3.39Å; V112-N115 PolarHBondContact O-N 2.98Å; N115-S117 PolarHBondContact ND2-OG 2.97Å; N115-S117 PolarHBondContact O-N 3.13Å; N115-S117 WeakPolarHBondContact OD1-CB 3.41Å; N115-S117 PolarHBondContact OD1-N 3.47Å; N115-S117 PolarHBondContact OD1-OG 3.4Å
116	N	80.1	Confident	91.5	Very high	106 Å²	106	74.7 Å²	74.7	57%	0.567	39%	0.385	S	S	*	.			trans	55.8	4.1	-179.5	-69.9	-19.3	0	0	0	116.3
117	S	89.4	Confident	91.6	Very high	5 Å²	5	80.3 Å²	80.3	4%	0.035	40%	0.398	C	S	.	.			trans	-63.8	147.5	177.6	-68.3	0	0	0	0	110.6	Q111 V112 N115 E143	Q111-S117 CarbonylContact C-O 3.5Å; Q111-S117 VanDerWaalsContact CA-O 3.3Å; Q111-S117 WeakPolarHBondContact CA-O 3.32Å; V112-S117 PolarHBondContact N-O 2.86Å; N115-S117 PolarHBondContact ND2-OG 2.97Å; N115-S117 PolarHBondContact O-N 3.13Å; N115-S117 WeakPolarHBondContact OD1-CB 3.41Å; N115-S117 PolarHBondContact OD1-N 3.47Å; N115-S117 PolarHBondContact OD1-OG 3.4Å; S117-E143 PolarHBondContact OG-OE1 3.47Å
118	I	94	Very high	91.9	Very high	8 Å²	8	81.1 Å²	81.1	4%	0.041	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	136.9	177.2	-69	173.6	0	0	0	109.8	K101 Y103 Y109 Y110 C144 Y145	K101-I118 HydrophobicContact CB-CD1 3.77Å; K101-I118 HydrophobicContact CD-CD1 4.35Å; K101-I118 HydrophobicContact CG-CD1 4.09Å; Y103-I118 HydrophobicContact CD1-CD1 3.71Å; Y103-I118 HydrophobicContact CE1-CD1 3.73Å; Y109-I118 HydrophobicContact CD2-CD1 4.26Å; Y109-I118 HydrophobicContact CD2-CG1 4.03Å; Y109-I118 HydrophobicContact CD2-CG2 4.16Å; Y109-I118 HydrophobicContact CE2-CD1 4.5Å; Y109-I118 HydrophobicContact CE2-CG1 4.45Å; Y109-I118 HydrophobicContact CG-CG2 4.26Å; Y110-I118 CarbonylContact O-C 3.58Å; Y110-I118 WeakPolarHBondContact O-CA 3.33Å; I118-C144 WeakPolarHBondContact O-CA 3.24Å; I118-Y145 PolarHBondContact O-N 3Å
119	Y	96.2	Very high	92	Very high	33 Å²	33	73.2 Å²	73.2	13%	0.129	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	151.6	165.4	80.1	-90.4	0	0	0	113.2	Y110 Q111 V112 R121 Y145 E147 L152	Y110-Y119 WeakPolarHBondContact CB-OH 3.17Å; Y110-Y119 HydrophobicContact CD2-CD2 4.45Å; Y110-Y119 AromaticContact CD2-CE2 3.98Å; Y110-Y119 HydrophobicContact CD2-CE2 3.98Å; Y110-Y119 HydrophobicContact CG-CE1 4.21Å; Y110-Y119 AromaticContact CG-CE2 3.94Å; Y110-Y119 HydrophobicContact CG-CE2 3.94Å; Y110-Y119 AromaticContact CG-CZ 3.71Å; Y110-Y119 PolarHBondContact N-O 3.3Å; Y110-Y119 PolarHBondContact O-N 2.92Å; Q111-Y119 WeakPolarHBondContact O-CE1 2.91Å; V112-Y119 HydrophobicContact CG2-CD1 3.79Å; V112-Y119 HydrophobicContact CG2-CG 4.36Å; Y119-R121 HydrophobicContact CE2-CB 4.38Å; Y119-Y145 CarbonylContact C-O 3.55Å; Y119-Y145 WeakPolarHBondContact CA-O 3.29Å; Y119-E147 HydrophobicContact CD2-CB 4.42Å; Y119-L152 HydrophobicContact CD1-CD1 4.43Å; Y119-L152 HydrophobicContact CD1-CD2 4.46Å; Y119-L152 HydrophobicContact CD2-CD2 3.55Å; Y119-L152 HydrophobicContact CE2-CD2 4.15Å; Y119-L152 HydrophobicContact CG-CD1 4.41Å; Y119-L152 HydrophobicContact CG-CD2 3.74Å
120	C	97.5	Very high	92.1	Very high	0 Å²	0	73.4 Å²	73.4	0%	0	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	120.9	-179.2	-54.5	0	0	0	0	110.1	C104 S123 Y145 Q146 E147	C104-C120 WeakPolarHBondContact CA-SG 3.29Å; C104-C120 HydrophobicContact CB-CB 3.75Å; C104-C120 WeakPolarHBondContact CB-SG 3.41Å; C104-C120 WeakPolarHBondContact SG-CA 3.46Å; C104-C120 WeakPolarHBondContact SG-CB 3.33Å; C104-C120 CovalentContact SG-SG 2.02Å; C104-C120 PolarHBondContact SG-SG 3.18Å; C120-S123 WeakPolarHBondContact CB-O 3.25Å; C120-Y145 PolarHBondContact N-O 2.84Å; C120-Q146 HydrophobicContact CB-CG 4.49Å; C120-Q146 WeakPolarHBondContact O-CA 3.25Å; C120-E147 PolarHBondContact O-N 3.46Å
121	R	95.8	Very high	92.1	Very high	100 Å²	100	68.8 Å²	68.8	38%	0.377	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130.5	173.2	168.3	175.3	-69.5	174.9	-1.5	108.6	Y110 Y119 S123 E147	Y110-R121 HydrophobicContact CD2-CB 4.07Å; Y110-R121 HydrophobicContact CE2-CB 3.72Å; Y119-R121 HydrophobicContact CE2-CB 4.38Å; R121-S123 PolarHBondContact O-N 3.12Å; R121-E147 WeakPolarHBondContact CB-OE2 3.3Å; R121-E147 WeakPolarHBondContact CD-OE2 3.34Å; R121-E147 WeakPolarHBondContact CG-OE2 3.47Å; R121-E147 IonicContact CZ-OE1 3.7Å; R121-E147 IonicContact CZ-OE2 3.48Å; R121-E147 IonicContact NE-OE1 3.65Å; R121-E147 IonicContact NE-OE2 2.67Å; R121-E147 PolarHBondContact NE-OE2 3.42Å; R121-E147 IonicContact NH2-OE1 2.87Å; R121-E147 PolarHBondContact NH2-OE1 3.07Å; R121-E147 IonicContact NH2-OE2 3.43Å; R121-E147 PolarHBondContact NH2-OE2 3.19Å
122	Q	94.6	Very high	92	Very high	192 Å²	192	65.5 Å²	65.5	90%	0.897	34%	0.344	S	S	*	.	S	Bend	trans	52.5	28.6	-179.3	-60.4	174.5	-25	0	0	113.2
123	S	96.5	Very high	92.2	Very high	19 Å²	19	73 Å²	73	13%	0.133	37%	0.369	C	S	.	.	S	Bend	trans	-157	155.1	-178.2	-174	0	0	0	0	109.1	S106 C120 R121	S106-S123 VanDerWaalsContact CB-OG 3.32Å; S106-S123 WeakPolarHBondContact CB-OG 3.38Å; S106-S123 PolarHBondContact N-OG 3.11Å; S106-S123 PolarHBondContact OG-OG 3.2Å; C120-S123 WeakPolarHBondContact CB-O 3.25Å; R121-S123 PolarHBondContact O-N 3.12Å
124	N	97.3	Very high	92.8	Very high	76 Å²	76	63.9 Å²	63.9	41%	0.406	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-87.7	156.4	175	-49.3	-47.2	0	0	0	110.6	C104 E105	C104-N124 WeakPolarHBondContact CA-O 3.23Å; E105-N124 HydrophobicContact CG-CB 4.4Å; E105-N124 PolarHBondContact N-O 3.09Å; E105-N124 WeakPolarHBondContact OE2-CB 3.47Å; E105-N124 PolarHBondContact OE2-ND2 3.39Å; E105-N124 VanDerWaalsContact OE2-ND2 3.17Å
125	C	97.8	Very high	93.7	Very high	2 Å²	2	65.4 Å²	65.4	1%	0.014	31%	0.309	C	S	.	.	B	Isolated β-bridge	trans	-65.6	138.7	164.1	-63.9	0	0	0	0	109.8	R127 C144 Y145 Q146 Y156	C125-R127 PolarHBondContact O-N 3.44Å; C125-C144 HydrophobicContact CB-CB 3.67Å; C125-C144 WeakPolarHBondContact CB-SG 3.31Å; C125-C144 WeakPolarHBondContact SG-CB 3.47Å; C125-C144 CovalentContact SG-SG 2.03Å; C125-C144 PolarHBondContact SG-SG 3.31Å; C125-Y145 PolarHBondContact SG-O 3.45Å; C125-Y145 VanDerWaalsContact SG-O 3.36Å; C125-Q146 HydrophobicContact CB-CG 4.43Å; C125-Q146 VanDerWaalsContact SG-CG 3.55Å; C125-Y156 HydrophobicContact CB-CD2 3.69Å; C125-Y156 HydrophobicContact CB-CE2 3.64Å
126	Q	97.4	Very high	94.7	Very high	60 Å²	60	61.8 Å²	61.8	28%	0.28	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-56.2	125.5	174.1	-75.2	176	-22.7	0	0	110.4	R102 Y103 E105	R102-Q126 WeakPolarHBondContact CD-O 3.16Å; R102-Q126 WeakPolarHBondContact CG-O 3.43Å; R102-Q126 PolarHBondContact NH1-O 2.9Å; Y103-Q126 VanDerWaalsContact O-CB 3.3Å; Y103-Q126 WeakPolarHBondContact O-CB 3.26Å; Y103-Q126 VanDerWaalsContact O-CG 3.25Å; Y103-Q126 WeakPolarHBondContact O-CG 3.43Å; Y103-Q126 PolarHBondContact O-N 3.05Å; E105-Q126 HydrophobicContact CG-CG 4.25Å
127	R	96.6	Very high	95.6	Very high	170 Å²	170	57.9 Å²	57.9	64%	0.642	27%	0.27	S	S	*	.	S	Bend	trans	-64	-45.7	173.5	-176.4	-175.3	-64.6	-149.5	-1	111.7	R102 C125 Y156	R102-R127 PolarHBondContact NH1-O 2.98Å; C125-R127 PolarHBondContact O-N 3.44Å; R127-Y156 WeakPolarHBondContact CA-OH 3.42Å
128	D	96.7	Very high	96	Very high	72 Å²	72	60.9 Å²	60.9	39%	0.385	29%	0.285	S	S	.	.			trans	-117.5	124.6	-177.4	-60.6	-41.4	0	0	0	110.1	M130 R135	D128-M130 HydrophobicContact CB-SD 3.98Å; D128-R135 HydrophobicContact CB-CG 4.3Å; D128-R135 WeakPolarHBondContact OD1-CD 3.48Å; D128-R135 IonicContact OD1-CZ 2.66Å; D128-R135 IonicContact OD1-NE 3.56Å; D128-R135 PolarHBondContact OD1-NE 3.42Å; D128-R135 IonicContact OD1-NH2 3.93Å; D128-R135 PolarHBondContact OD1-NH2 3.38Å
129	V	96.6	Very high	96.1	Very high	12 Å²	12	64.1 Å²	64.1	7%	0.073	30%	0.3	C	S	.	.			trans	-97.4	125.7	172.2	-175.6	0	0	0	0	107.7	A100 R102 I136 V141	A100-V129 HydrophobicContact CB-CG1 4.41Å; R102-V129 HydrophobicContact CB-CG2 4.1Å; R102-V129 HydrophobicContact CG-CG2 3.96Å; V129-I136 HydrophobicContact CG1-CD1 4.02Å; V129-I136 WeakPolarHBondContact O-CB 3.49Å; V129-I136 PolarHBondContact O-N 3.03Å; V129-V141 HydrophobicContact CB-CG1 4.16Å; V129-V141 HydrophobicContact CB-CG2 4.14Å; V129-V141 HydrophobicContact CG2-CG1 3.51Å; V129-V141 HydrophobicContact CG2-CG2 4.37Å
130	M	95.1	Very high	96.2	Very high	98 Å²	98	63 Å²	63	48%	0.483	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	144	-168.5	-55.1	-58.4	-72.2	0	0	111.7	D128 R133 A134 R135	D128-M130 HydrophobicContact CB-SD 3.98Å; M130-R133 WeakPolarHBondContact CE-O 3.37Å; M130-A134 WeakPolarHBondContact CA-O 3.46Å; M130-R135 HydrophobicContact CE-CB 4.4Å; M130-R135 HydrophobicContact SD-CB 3.99Å; M130-R135 HydrophobicContact SD-CG 4.46Å
131	C	94.9	Very high	96.2	Very high	1 Å²	1	63 Å²	63	1%	0.007	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	106.1	164.8	165.1	0	0	0	0	108.1	R133 A134 I136 L170 C190 L201	C131-R133 PolarHBondContact O-N 2.74Å; C131-A134 PolarHBondContact N-O 2.58Å; C131-A134 PolarHBondContact O-N 2.91Å; C131-A134 VanDerWaalsContact O-N 3.13Å; C131-I136 HydrophobicContact CB-CD1 4.04Å; C131-I136 HydrophobicContact CB-CG1 3.85Å; C131-L170 HydrophobicContact CB-CD1 3.85Å; C131-C190 WeakPolarHBondContact CA-SG 3.33Å; C131-C190 HydrophobicContact CB-CB 3.7Å; C131-C190 WeakPolarHBondContact CB-SG 3.35Å; C131-C190 WeakPolarHBondContact SG-CB 3.38Å; C131-C190 CovalentContact SG-SG 2.02Å; C131-C190 PolarHBondContact SG-SG 2.81Å; C131-L201 HydrophobicContact CB-CD2 3.55Å; C131-L201 WeakPolarHBondContact SG-CD2 3.12Å
132	G	89.4	Confident	96.2	Very high	45 Å²	45	58.2 Å²	58.2	46%	0.464	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	-117.8	-165.4	0	0	0	0	0	110.5
133	R	92.6	Very high	96.2	Very high	182 Å²	182	50.2 Å²	50.2	69%	0.687	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105	-1.6	175.9	-65.9	-71.7	-177.2	156.1	-2.1	113.4	M130 C131 I174 T176	M130-R133 WeakPolarHBondContact CE-O 3.37Å; C131-R133 PolarHBondContact O-N 2.74Å; R133-I174 HydrophobicContact CB-CD1 3.76Å; R133-T176 HydrophobicContact CG-CG2 4.48Å
134	A	95.3	Very high	96.2	Very high	2 Å²	2	49.3 Å²	49.3	2%	0.017	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137	179.4	0	0	0	0	0	110.9	T61 M130 C131 L170 D172	T61-A134 HydrophobicContact CG2-CB 4.19Å; M130-A134 WeakPolarHBondContact CA-O 3.46Å; C131-A134 PolarHBondContact N-O 2.58Å; C131-A134 PolarHBondContact O-N 2.91Å; C131-A134 VanDerWaalsContact O-N 3.13Å; A134-L170 HydrophobicContact CB-CB 3.86Å; A134-L170 HydrophobicContact CB-CD1 3.67Å; A134-L170 HydrophobicContact CB-CG 4.4Å; A134-D172 HydrophobicContact CB-CB 4.32Å
135	R	97.1	Very high	96.2	Very high	112 Å²	112	46.8 Å²	46.8	42%	0.423	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	129.7	172.9	-178	-176.8	-174.6	-114.7	-4.9	109.4	D128 M130 P137 D138	D128-R135 HydrophobicContact CB-CG 4.3Å; D128-R135 WeakPolarHBondContact OD1-CD 3.48Å; D128-R135 IonicContact OD1-CZ 2.66Å; D128-R135 IonicContact OD1-NE 3.56Å; D128-R135 PolarHBondContact OD1-NE 3.42Å; D128-R135 IonicContact OD1-NH2 3.93Å; D128-R135 PolarHBondContact OD1-NH2 3.38Å; M130-R135 HydrophobicContact CE-CB 4.4Å; M130-R135 HydrophobicContact SD-CB 3.99Å; M130-R135 HydrophobicContact SD-CG 4.46Å; R135-P137 WeakPolarHBondContact O-CD 3.25Å; R135-D138 IonicContact CZ-OD2 3.07Å; R135-D138 IonicContact NH1-OD2 3.95Å; R135-D138 VanDerWaalsContact NH2-CG 3.32Å; R135-D138 IonicContact NH2-OD1 3.5Å; R135-D138 PolarHBondContact NH2-OD1 2.8Å; R135-D138 IonicContact NH2-OD2 2.85Å; R135-D138 PolarHBondContact NH2-OD2 3.49Å
136	I	98.1	Very high	96.2	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-72.4	126.1	169.8	-58.4	178.6	0	0	0	107.7	A100 V129 C131 D138 Y140 V141 L170 L191 L201	A100-I136 HydrophobicContact CB-CD1 4Å; V129-I136 HydrophobicContact CG1-CD1 4.02Å; V129-I136 WeakPolarHBondContact O-CB 3.49Å; V129-I136 PolarHBondContact O-N 3.03Å; C131-I136 HydrophobicContact CB-CD1 4.04Å; C131-I136 HydrophobicContact CB-CG1 3.85Å; I136-D138 PolarHBondContact O-N 3.04Å; I136-Y140 HydrophobicContact CG2-CD2 4.41Å; I136-V141 HydrophobicContact CB-CG2 4.09Å; I136-V141 HydrophobicContact CG2-CG2 3.78Å; I136-L170 HydrophobicContact CG1-CD1 4.19Å; I136-L191 HydrophobicContact CD1-CD1 4.05Å; I136-L201 HydrophobicContact CD1-CD1 3.94Å; I136-L201 HydrophobicContact CD1-CD2 3.87Å; I136-L201 HydrophobicContact CG1-CD1 4.16Å; I136-L201 HydrophobicContact CG1-CD2 4.15Å; I136-L201 HydrophobicContact CG2-CD1 3.78Å
137	P	98.2	Very high	96.1	Very high	25 Å²	25	45.9 Å²	45.9	16%	0.162	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-53.6	138.1	174.1	-28.7	36	0	0	0	112.4	H59 R135 E139 Y140 L170	H59-P137 HydrophobicContact CB-CG 4.45Å; R135-P137 WeakPolarHBondContact O-CD 3.25Å; P137-E139 HydrophobicContact CB-CG 3.7Å; P137-E139 PolarHBondContact O-N 2.99Å; P137-Y140 HydrophobicContact CB-CD2 4Å; P137-Y140 HydrophobicContact CB-CE2 4.13Å; P137-Y140 HydrophobicContact CG-CD2 4.2Å; P137-Y140 HydrophobicContact CG-CE2 4.17Å; P137-Y140 PolarHBondContact O-N 3.3Å; P137-L170 HydrophobicContact CG-CD2 4.5Å
138	D	97.7	Very high	96	Very high	67 Å²	67	41.2 Å²	41.2	36%	0.358	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-58.8	-23.7	-175.6	-69.8	-48.6	0	0	0	113	R102 R135 I136 Y140 V141 G159	R102-D138 IonicContact CZ-OD1 3.22Å; R102-D138 IonicContact NH2-OD1 3.6Å; R102-D138 PolarHBondContact NH2-OD1 2.94Å; R135-D138 IonicContact CZ-OD2 3.07Å; R135-D138 IonicContact NH1-OD2 3.95Å; R135-D138 VanDerWaalsContact NH2-CG 3.32Å; R135-D138 IonicContact NH2-OD1 3.5Å; R135-D138 PolarHBondContact NH2-OD1 2.8Å; R135-D138 IonicContact NH2-OD2 2.85Å; R135-D138 PolarHBondContact NH2-OD2 3.49Å; I136-D138 PolarHBondContact O-N 3.04Å; D138-Y140 PolarHBondContact O-N 3.33Å; D138-Y140 VanDerWaalsContact O-N 3.12Å; D138-V141 PolarHBondContact O-N 2.85Å; D138-V141 VanDerWaalsContact O-N 3.09Å; D138-G159 WeakPolarHBondContact O-CA 3.24Å
139	E	97.8	Very high	95.7	Very high	76 Å²	76	45.1 Å²	45.1	36%	0.355	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-57.8	-21	172.4	57.8	176.3	-164.2	0	0	114.2	H59 P137 G159 S160 G161	H59-E139 IonicContact CE1-OE1 3.54Å; H59-E139 PolarHBondContact CE1-OE1 2.98Å; H59-E139 IonicContact NE2-OE1 3.49Å; H59-E139 PolarHBondContact NE2-OE1 3.37Å; P137-E139 HydrophobicContact CB-CG 3.7Å; P137-E139 PolarHBondContact O-N 2.99Å; E139-G159 CarbonylContact O-C 3.5Å; E139-S160 PolarHBondContact O-N 2.94Å; E139-S160 PolarHBondContact O-OG 3.43Å; E139-G161 PolarHBondContact O-N 3.07Å
140	Y	97.8	Very high	95.4	Very high	9 Å²	9	51.7 Å²	51.7	4%	0.035	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-110.6	7.8	178	-51.1	-57.2	0	0	0	113.6	H59 L99 A100 I136 P137 D138 I162 V168	H59-Y140 AromaticContact NE2-CE2 3.39Å; H59-Y140 WeakPolarHBondContact NE2-CE2 3.42Å; H59-Y140 AromaticContact NE2-CZ 3.82Å; H59-Y140 PolarHBondContact NE2-OH 3.42Å; L99-Y140 WeakPolarHBondContact CA-O 3.41Å; A100-Y140 WeakPolarHBondContact CB-O 3.07Å; A100-Y140 PolarHBondContact N-O 2.5Å; I136-Y140 HydrophobicContact CG2-CD2 4.41Å; P137-Y140 HydrophobicContact CB-CD2 4Å; P137-Y140 HydrophobicContact CB-CE2 4.13Å; P137-Y140 HydrophobicContact CG-CD2 4.2Å; P137-Y140 HydrophobicContact CG-CE2 4.17Å; P137-Y140 PolarHBondContact O-N 3.3Å; D138-Y140 PolarHBondContact O-N 3.33Å; D138-Y140 VanDerWaalsContact O-N 3.12Å; Y140-I162 HydrophobicContact CD1-CB 4.24Å; Y140-I162 HydrophobicContact CD1-CG1 3.48Å; Y140-I162 VanDerWaalsContact CD1-CG1 3.48Å; Y140-I162 HydrophobicContact CE1-CG1 4.31Å; Y140-I162 HydrophobicContact CG-CG1 3.83Å; Y140-V168 HydrophobicContact CD1-CG2 3.89Å; Y140-V168 HydrophobicContact CD2-CB 4.45Å; Y140-V168 HydrophobicContact CD2-CG1 3.85Å; Y140-V168 HydrophobicContact CD2-CG2 3.76Å; Y140-V168 HydrophobicContact CE1-CG2 3.75Å; Y140-V168 HydrophobicContact CE2-CB 4.38Å; Y140-V168 HydrophobicContact CE2-CG1 3.75Å; Y140-V168 HydrophobicContact CE2-CG2 3.64Å; Y140-V168 HydrophobicContact CG-CG2 3.89Å
141	V	97.4	Very high	95.4	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-109.1	139.5	-175.3	-175.1	0	0	0	0	110.6	A100 R102 V129 I136 D138 G159	A100-V141 HydrophobicContact CB-CG2 4.47Å; R102-V141 HydrophobicContact CB-CG1 3.85Å; R102-V141 HydrophobicContact CG-CG1 4.37Å; R102-V141 VanDerWaalsContact CZ-CG1 3.47Å; R102-V141 VanDerWaalsContact NH2-CG1 3.29Å; V129-V141 HydrophobicContact CB-CG1 4.16Å; V129-V141 HydrophobicContact CB-CG2 4.14Å; V129-V141 HydrophobicContact CG2-CG1 3.51Å; V129-V141 HydrophobicContact CG2-CG2 4.37Å; I136-V141 HydrophobicContact CB-CG2 4.09Å; I136-V141 HydrophobicContact CG2-CG2 3.78Å; D138-V141 PolarHBondContact O-N 2.85Å; D138-V141 VanDerWaalsContact O-N 3.09Å; V141-G159 PolarHBondContact O-N 2.87Å
142	G	95.1	Very high	95.4	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.28	C	S	.	.			trans	-75.6	166.3	179.7	0	0	0	0	0	114.1	A100 R102	A100-G142 PolarHBondContact O-N 2.8Å; R102-G142 WeakPolarHBondContact CB-O 3.31Å; R102-G142 PolarHBondContact NE-O 2.75Å
143	E	95.6	Very high	95.7	Very high	24 Å²	24	61.1 Å²	61.1	11%	0.112	28%	0.277	C	S	.	.			trans	-63.5	160	172.5	68.9	-172.5	124.7	0	0	112.4	S117 Y145 R154 Y156 N158	S117-E143 PolarHBondContact OG-OE1 3.47Å; E143-Y145 HydrophobicContact CG-CE2 4Å; E143-Y145 WeakPolarHBondContact OE2-CE2 3.35Å; E143-Y145 VanDerWaalsContact OE2-CZ 3.28Å; E143-Y145 PolarHBondContact OE2-OH 3.25Å; E143-R154 IonicContact OE2-CZ 2.68Å; E143-R154 IonicContact OE2-NE 3.28Å; E143-R154 PolarHBondContact OE2-NE 2.61Å; E143-R154 IonicContact OE2-NH2 3.99Å; E143-Y156 WeakPolarHBondContact CA-O 3.49Å; E143-Y156 WeakPolarHBondContact CB-O 3.29Å; E143-N158 WeakPolarHBondContact CB-OD1 3.47Å; E143-N158 WeakPolarHBondContact CG-OD1 3.49Å; E143-N158 PolarHBondContact N-OD1 3.19Å; E143-N158 PolarHBondContact OE1-ND2 3.27Å
144	C	96.6	Very high	95.8	Very high	0 Å²	0	59 Å²	59	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	140.4	171.7	177.4	0	0	0	0	110.6	R102 I118 C125 Y155 Y156	R102-C144 HydrophobicContact CB-CB 4.06Å; R102-C144 HydrophobicContact CG-CB 3.97Å; I118-C144 WeakPolarHBondContact O-CA 3.24Å; C125-C144 HydrophobicContact CB-CB 3.67Å; C125-C144 WeakPolarHBondContact CB-SG 3.31Å; C125-C144 WeakPolarHBondContact SG-CB 3.47Å; C125-C144 CovalentContact SG-SG 2.03Å; C125-C144 PolarHBondContact SG-SG 3.31Å; C144-Y155 PolarHBondContact O-N 2.58Å; C144-Y156 PolarHBondContact N-O 3.38Å; C144-Y156 PolarHBondContact O-N 3.03Å
145	Y	97.1	Very high	95.9	Very high	24 Å²	24	64.4 Å²	64.4	9%	0.094	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	153.3	179.1	-61.1	-109.6	0	0	0	110.5	V112 I118 Y119 C120 C125 E143 L152 Y153 R154	V112-Y145 HydrophobicContact CG2-CD2 4.18Å; V112-Y145 HydrophobicContact CG2-CG 4.5Å; I118-Y145 PolarHBondContact O-N 3Å; Y119-Y145 CarbonylContact C-O 3.55Å; Y119-Y145 WeakPolarHBondContact CA-O 3.29Å; C120-Y145 PolarHBondContact N-O 2.84Å; C125-Y145 PolarHBondContact SG-O 3.45Å; C125-Y145 VanDerWaalsContact SG-O 3.36Å; E143-Y145 HydrophobicContact CG-CE2 4Å; E143-Y145 WeakPolarHBondContact OE2-CE2 3.35Å; E143-Y145 VanDerWaalsContact OE2-CZ 3.28Å; E143-Y145 PolarHBondContact OE2-OH 3.25Å; Y145-L152 HydrophobicContact CD1-CB 4.21Å; Y145-Y153 CarbonylContact C-O 3.6Å; Y145-Y153 WeakPolarHBondContact CA-O 3.35Å; Y145-Y153 WeakPolarHBondContact CB-O 3.48Å; Y145-R154 HydrophobicContact CD1-CB 3.78Å; Y145-R154 HydrophobicContact CD1-CG 4.35Å; Y145-R154 HydrophobicContact CE1-CB 3.55Å; Y145-R154 HydrophobicContact CE1-CG 3.98Å; Y145-R154 HydrophobicContact CE2-CG 4.35Å; Y145-R154 HydrophobicContact CG-CB 4.48Å; Y145-R154 VanDerWaalsContact OH-CZ 3.26Å; Y145-R154 PolarHBondContact OH-NE 3.35Å; Y145-R154 PolarHBondContact OH-NH2 2.79Å
146	Q	96.6	Very high	95.9	Very high	10 Å²	10	62.1 Å²	62.1	5%	0.047	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	140.4	168.6	-51.2	172.9	6.5	0	0	109.1	C120 C125 Y153 Y155	C120-Q146 HydrophobicContact CB-CG 4.49Å; C120-Q146 WeakPolarHBondContact O-CA 3.25Å; C125-Q146 HydrophobicContact CB-CG 4.43Å; C125-Q146 VanDerWaalsContact SG-CG 3.55Å; Q146-Y153 PolarHBondContact N-O 3.21Å; Q146-Y153 PolarHBondContact O-N 2.97Å; Q146-Y155 HydrophobicContact CB-CD2 3.61Å; Q146-Y155 HydrophobicContact CB-CE2 3.52Å; Q146-Y155 VanDerWaalsContact CD-CD2 3.43Å; Q146-Y155 HydrophobicContact CG-CD2 3.43Å; Q146-Y155 VanDerWaalsContact CG-CD2 3.43Å; Q146-Y155 HydrophobicContact CG-CE2 3.77Å; Q146-Y155 HydrophobicContact CG-CG 4.01Å
147	E	96.1	Very high	95.7	Very high	33 Å²	33	67.4 Å²	67.4	15%	0.154	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	121	178.4	-169	-174	-134	0	0	110.3	Y119 C120 R121 R151 L152	Y119-E147 HydrophobicContact CD2-CB 4.42Å; C120-E147 PolarHBondContact O-N 3.46Å; R121-E147 WeakPolarHBondContact CB-OE2 3.3Å; R121-E147 WeakPolarHBondContact CD-OE2 3.34Å; R121-E147 WeakPolarHBondContact CG-OE2 3.47Å; R121-E147 IonicContact CZ-OE1 3.7Å; R121-E147 IonicContact CZ-OE2 3.48Å; R121-E147 IonicContact NE-OE1 3.65Å; R121-E147 IonicContact NE-OE2 2.67Å; R121-E147 PolarHBondContact NE-OE2 3.42Å; R121-E147 IonicContact NH2-OE1 2.87Å; R121-E147 PolarHBondContact NH2-OE1 3.07Å; R121-E147 IonicContact NH2-OE2 3.43Å; R121-E147 PolarHBondContact NH2-OE2 3.19Å; E147-R151 WeakPolarHBondContact CA-O 3.09Å; E147-L152 HydrophobicContact CB-CD2 3.8Å; E147-L152 HydrophobicContact CG-CD2 4.1Å
148	H	93.3	Very high	95.6	Very high	72 Å²	72	69 Å²	69	33%	0.333	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.5	170.1	-58.6	-71.3	0	0	0	109.4	N150 R151 Y153 Y155	H148-N150 VanDerWaalsContact C-N 3.26Å; H148-N150 PolarHBondContact O-N 2.62Å; H148-R151 PolarHBondContact N-O 3.12Å; H148-R151 PolarHBondContact O-N 3.16Å; H148-R151 VanDerWaalsContact O-O 3.13Å; H148-Y153 HydrophobicContact CB-CD2 4.07Å; H148-Y153 HydrophobicContact CB-CE2 3.89Å; H148-Y153 AromaticContact CD2-CD2 3.93Å; H148-Y155 AromaticContact CD2-CE2 3.91Å; H148-Y155 PolarHBondContact CD2-OH 3.25Å; H148-Y155 AromaticContact NE2-CE2 3.6Å; H148-Y155 AromaticContact NE2-CZ 3.56Å; H148-Y155 PolarHBondContact NE2-OH 3.36Å
149	N	91.5	Very high	95.5	Very high	154 Å²	154	66.6 Å²	66.6	82%	0.824	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	45.3	-179.9	-59	-29.1	0	0	0	112.8	R151	N149-R151 PolarHBondContact O-N 3.25Å; N149-R151 VanDerWaalsContact O-N 3.15Å
150	N	89.4	Confident	95.4	Very high	149 Å²	149	65.9 Å²	65.9	80%	0.797	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.8	22.4	-177.1	-58.3	-29.8	0	0	0	114.8	H148	H148-N150 VanDerWaalsContact C-N 3.26Å; H148-N150 PolarHBondContact O-N 2.62Å
151	R	95.1	Very high	95.3	Very high	171 Å²	171	65.6 Å²	65.6	65%	0.645	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.6	140	172.6	-67.2	-176.6	178.8	178.3	-0.5	110	E147 H148 N149 Y153	E147-R151 WeakPolarHBondContact CA-O 3.09Å; H148-R151 PolarHBondContact N-O 3.12Å; H148-R151 PolarHBondContact O-N 3.16Å; H148-R151 VanDerWaalsContact O-O 3.13Å; N149-R151 PolarHBondContact O-N 3.25Å; N149-R151 VanDerWaalsContact O-N 3.15Å; R151-Y153 HydrophobicContact CB-CE2 3.74Å; R151-Y153 WeakPolarHBondContact O-CD2 3.38Å
152	L	94.9	Very high	95.2	Very high	68 Å²	68	65.6 Å²	65.6	36%	0.356	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	124.7	176.4	-62.2	180	0	0	0	109.7	V112 Y119 Y145 E147	V112-L152 HydrophobicContact CG1-CD1 4.17Å; V112-L152 HydrophobicContact CG2-CD1 3.88Å; Y119-L152 HydrophobicContact CD1-CD1 4.43Å; Y119-L152 HydrophobicContact CD1-CD2 4.46Å; Y119-L152 HydrophobicContact CD2-CD2 3.55Å; Y119-L152 HydrophobicContact CE2-CD2 4.15Å; Y119-L152 HydrophobicContact CG-CD1 4.41Å; Y119-L152 HydrophobicContact CG-CD2 3.74Å; Y145-L152 HydrophobicContact CD1-CB 4.21Å; E147-L152 HydrophobicContact CB-CD2 3.8Å; E147-L152 HydrophobicContact CG-CD2 4.1Å
153	Y	96	Very high	95.1	Very high	104 Å²	104	67.2 Å²	67.2	41%	0.408	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	130.5	174	-63.2	-90.8	0	0	0	108.7	Y145 Q146 H148 R151 Y155	Y145-Y153 CarbonylContact C-O 3.6Å; Y145-Y153 WeakPolarHBondContact CA-O 3.35Å; Y145-Y153 WeakPolarHBondContact CB-O 3.48Å; Q146-Y153 PolarHBondContact N-O 3.21Å; Q146-Y153 PolarHBondContact O-N 2.97Å; H148-Y153 HydrophobicContact CB-CD2 4.07Å; H148-Y153 HydrophobicContact CB-CE2 3.89Å; H148-Y153 AromaticContact CD2-CD2 3.93Å; R151-Y153 HydrophobicContact CB-CE2 3.74Å; R151-Y153 WeakPolarHBondContact O-CD2 3.38Å; Y153-Y155 WeakPolarHBondContact O-CD2 3.19Å; Y153-Y155 PolarHBondContact O-N 3.41Å
154	R	95.5	Very high	94.8	Very high	137 Å²	137	66.9 Å²	66.9	52%	0.517	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	116.8	175.3	-169.2	-172.8	-67.1	175.5	-4.5	109	E143 Y145 Y156 N157	E143-R154 IonicContact OE2-CZ 2.68Å; E143-R154 IonicContact OE2-NE 3.28Å; E143-R154 PolarHBondContact OE2-NE 2.61Å; E143-R154 IonicContact OE2-NH2 3.99Å; Y145-R154 HydrophobicContact CD1-CB 3.78Å; Y145-R154 HydrophobicContact CD1-CG 4.35Å; Y145-R154 HydrophobicContact CE1-CB 3.55Å; Y145-R154 HydrophobicContact CE1-CG 3.98Å; Y145-R154 HydrophobicContact CE2-CG 4.35Å; Y145-R154 HydrophobicContact CG-CB 4.48Å; Y145-R154 VanDerWaalsContact OH-CZ 3.26Å; Y145-R154 PolarHBondContact OH-NE 3.35Å; Y145-R154 PolarHBondContact OH-NH2 2.79Å; R154-Y156 VanDerWaalsContact CG-O 3.32Å; R154-Y156 WeakPolarHBondContact CG-O 3.41Å; R154-N157 WeakPolarHBondContact CD-OD1 3.27Å; R154-N157 PolarHBondContact NH1-OD1 3.33Å
155	Y	96.4	Very high	94.6	Very high	116 Å²	116	67.3 Å²	67.3	46%	0.455	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	-28.9	179.3	-85.5	-94.3	0	0	0	113	C144 Q146 H148 Y153	C144-Y155 PolarHBondContact O-N 2.58Å; Q146-Y155 HydrophobicContact CB-CD2 3.61Å; Q146-Y155 HydrophobicContact CB-CE2 3.52Å; Q146-Y155 VanDerWaalsContact CD-CD2 3.43Å; Q146-Y155 HydrophobicContact CG-CD2 3.43Å; Q146-Y155 VanDerWaalsContact CG-CD2 3.43Å; Q146-Y155 HydrophobicContact CG-CE2 3.77Å; Q146-Y155 HydrophobicContact CG-CG 4.01Å; H148-Y155 AromaticContact CD2-CE2 3.91Å; H148-Y155 PolarHBondContact CD2-OH 3.25Å; H148-Y155 AromaticContact NE2-CE2 3.6Å; H148-Y155 AromaticContact NE2-CZ 3.56Å; H148-Y155 PolarHBondContact NE2-OH 3.36Å; Y153-Y155 WeakPolarHBondContact O-CD2 3.19Å; Y153-Y155 PolarHBondContact O-N 3.41Å
156	Y	97	Very high	94.6	Very high	64 Å²	64	66.2 Å²	66.2	25%	0.251	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	137.4	176.1	-64.7	-86.6	0	0	0	109	C125 R127 E143 C144 R154	C125-Y156 HydrophobicContact CB-CD2 3.69Å; C125-Y156 HydrophobicContact CB-CE2 3.64Å; R127-Y156 WeakPolarHBondContact CA-OH 3.42Å; E143-Y156 WeakPolarHBondContact CA-O 3.49Å; E143-Y156 WeakPolarHBondContact CB-O 3.29Å; C144-Y156 PolarHBondContact N-O 3.38Å; C144-Y156 PolarHBondContact O-N 3.03Å; R154-Y156 VanDerWaalsContact CG-O 3.32Å; R154-Y156 WeakPolarHBondContact CG-O 3.41Å
157	N	95.7	Very high	94.6	Very high	112 Å²	112	65.8 Å²	65.8	60%	0.599	32%	0.319	S	S	*	.			trans	-88.7	161.7	172.7	-69.7	-52.4	0	0	0	110.7	R154 G159	R154-N157 WeakPolarHBondContact CD-OD1 3.27Å; R154-N157 PolarHBondContact NH1-OD1 3.33Å; N157-G159 PolarHBondContact O-N 2.93Å
158	N	94.9	Very high	94.8	Very high	60 Å²	60	64.2 Å²	64.2	32%	0.321	31%	0.312	S	S	.	.			trans	-61.9	132.4	170	-74.6	-36.2	0	0	0	110.2	L39 L99 E143	L39-N158 HydrophobicContact CD1-CB 4.04Å; L99-N158 HydrophobicContact CD1-CB 3.9Å; L99-N158 WeakPolarHBondContact CD1-OD1 3.5Å; E143-N158 WeakPolarHBondContact CB-OD1 3.47Å; E143-N158 WeakPolarHBondContact CG-OD1 3.49Å; E143-N158 PolarHBondContact N-OD1 3.19Å; E143-N158 PolarHBondContact OE1-ND2 3.27Å
159	G	96.1	Very high	95	Very high	15 Å²	15	60.8 Å²	60.8	16%	0.155	30%	0.296	C	S	.	.			trans	-67.5	176.6	165	0	0	0	0	0	112.4	D138 E139 V141 N157 G161	D138-G159 WeakPolarHBondContact O-CA 3.24Å; E139-G159 CarbonylContact O-C 3.5Å; V141-G159 PolarHBondContact O-N 2.87Å; N157-G159 PolarHBondContact O-N 2.93Å; G159-G161 PolarHBondContact O-N 2.61Å
160	S	95.2	Very high	95.4	Very high	62 Å²	62	53.5 Å²	53.5	43%	0.434	26%	0.257	S	S	.	.	S	Bend	trans	-66.8	-16.5	179.8	62.8	0	0	0	0	115.1	K97 E139	K97-S160 WeakPolarHBondContact CD-O 3.47Å; K97-S160 PolarHBondContact NZ-O 2.96Å; K97-S160 VanDerWaalsContact NZ-O 3.11Å; E139-S160 PolarHBondContact O-N 2.94Å; E139-S160 PolarHBondContact O-OG 3.43Å
161	G	95.2	Very high	95.8	Very high	2 Å²	2	46.5 Å²	46.5	2%	0.021	22%	0.219	C	C	.	.			trans	84.9	151.2	176.5	0	0	0	0	0	115.2	Q98 E139 G159 P163	Q98-G161 CarbonylContact O-C 3.53Å; Q98-G161 WeakPolarHBondContact O-CA 3.47Å; E139-G161 PolarHBondContact O-N 3.07Å; G159-G161 PolarHBondContact O-N 2.61Å; G161-P163 WeakPolarHBondContact O-CD 3.26Å
162	I	95.6	Very high	95.9	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-70.8	122.5	172.9	-55	173.7	0	0	0	108.3	K97 Q98 Y140 V168 I200 L201	K97-I162 CarbonylContact C-O 3.5Å; K97-I162 WeakPolarHBondContact CA-O 3.3Å; K97-I162 WeakPolarHBondContact CB-O 3.48Å; Q98-I162 HydrophobicContact CB-CB 4.35Å; Q98-I162 PolarHBondContact N-O 3.38Å; Q98-I162 WeakPolarHBondContact O-CG1 3.44Å; Q98-I162 PolarHBondContact O-N 2.81Å; Y140-I162 HydrophobicContact CD1-CB 4.24Å; Y140-I162 HydrophobicContact CD1-CG1 3.48Å; Y140-I162 VanDerWaalsContact CD1-CG1 3.48Å; Y140-I162 HydrophobicContact CE1-CG1 4.31Å; Y140-I162 HydrophobicContact CG-CG1 3.83Å; I162-V168 HydrophobicContact CB-CG2 4.44Å; I162-V168 HydrophobicContact CD1-CG2 4.07Å; I162-V168 HydrophobicContact CG1-CG2 3.78Å; I162-V168 HydrophobicContact CG2-CG2 4.02Å; I162-I200 HydrophobicContact CD1-CD1 4.18Å; I162-I200 HydrophobicContact CD1-CG1 4.39Å; I162-L201 HydrophobicContact CD1-CB 4.25Å; I162-L201 HydrophobicContact CD1-CD1 4.04Å
163	P	93.1	Very high	96	Very high	34 Å²	34	35.6 Å²	35.6	22%	0.221	18%	0.175	C	C	.	.			trans	-61	150.5	178.1	-28	40.2	0	0	0	113	Y57 G161 A165 G166	Y57-P163 HydrophobicContact CE1-CG 4.22Å; Y57-P163 HydrophobicContact CE2-CB 4.22Å; Y57-P163 HydrophobicContact CE2-CG 3.87Å; G161-P163 WeakPolarHBondContact O-CD 3.26Å; P163-A165 VanDerWaalsContact C-N 3.35Å; P163-A165 PolarHBondContact O-N 3.12Å; P163-G166 VanDerWaalsContact O-CA 3.29Å; P163-G166 WeakPolarHBondContact O-CA 3.35Å; P163-G166 PolarHBondContact O-N 2.66Å
164	S	89.3	Confident	96	Very high	17 Å²	17	33 Å²	33	12%	0.119	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-38.5	-169.9	-45.9	0	0	0	0	114.8	P93 G96 R198	P93-S164 WeakPolarHBondContact O-CB 3.48Å; P93-S164 VanDerWaalsContact O-O 3.07Å; G96-S164 PolarHBondContact O-OG 3.49Å; S164-R198 PolarHBondContact O-NH2 2.97Å
165	A	92.9	Very high	95.9	Very high	8 Å²	8	32.3 Å²	32.3	7%	0.066	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	6	173.2	0	0	0	0	0	113.4	R52 K55 V90 P163	R52-A165 HydrophobicContact CB-CB 3.63Å; K55-A165 PolarHBondContact N-O 2.92Å; V90-A165 HydrophobicContact CB-CB 4.32Å; V90-A165 HydrophobicContact CG2-CB 4.2Å; P163-A165 VanDerWaalsContact C-N 3.35Å; P163-A165 PolarHBondContact O-N 3.12Å
166	G	96	Very high	95.7	Very high	2 Å²	2	28 Å²	28	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	156.6	179.7	0	0	0	0	0	112.6	K55 P163 R198	K55-G166 CarbonylContact O-C 3.57Å; K55-G166 VanDerWaalsContact O-CA 3.28Å; K55-G166 WeakPolarHBondContact O-CA 3.33Å; P163-G166 VanDerWaalsContact O-CA 3.29Å; P163-G166 WeakPolarHBondContact O-CA 3.35Å; P163-G166 PolarHBondContact O-N 2.66Å; G166-R198 PolarHBondContact O-NH1 3.41Å; G166-R198 PolarHBondContact O-NH2 3.01Å
167	Y	98.5	Very high	95.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	122.1	164.2	-173.4	-74.4	0	0	0	108.7	K55 F56 Y57 L169 P199 I200 G202 A232 L233	K55-Y167 PolarHBondContact O-N 2.99Å; F56-Y167 CarbonylContact C-O 3.35Å; F56-Y167 WeakPolarHBondContact CA-O 3.31Å; F56-Y167 AromaticContact CD1-CD1 3.55Å; F56-Y167 HydrophobicContact CD1-CD1 3.55Å; F56-Y167 HydrophobicContact CD1-CE1 4.43Å; F56-Y167 HydrophobicContact CD1-CG 4.09Å; F56-Y167 AromaticContact CE1-CD1 3.38Å; F56-Y167 HydrophobicContact CE1-CD1 3.38Å; F56-Y167 AromaticContact CE1-CE1 3.99Å; F56-Y167 HydrophobicContact CE1-CE1 3.99Å; F56-Y167 AromaticContact CE1-CG 3.83Å; F56-Y167 HydrophobicContact CE1-CG 3.83Å; Y57-Y167 PolarHBondContact N-O 3.5Å; Y167-L169 HydrophobicContact CD1-CB 4.14Å; Y167-L169 HydrophobicContact CE1-CB 4.13Å; Y167-L169 HydrophobicContact CE1-CD1 4.1Å; Y167-P199 VanDerWaalsContact CD2-O 3.32Å; Y167-P199 WeakPolarHBondContact CD2-O 3.44Å; Y167-P199 HydrophobicContact CE2-CB 4.22Å; Y167-P199 WeakPolarHBondContact CE2-O 3.41Å; Y167-I200 CarbonylContact C-O 3.49Å; Y167-I200 WeakPolarHBondContact CA-O 3.09Å; Y167-G202 VanDerWaalsContact OH-CA 3.28Å; Y167-G202 WeakPolarHBondContact OH-CA 3.41Å; Y167-G202 PolarHBondContact OH-N 3.4Å; Y167-A232 VanDerWaalsContact OH-CB 3.29Å; Y167-A232 WeakPolarHBondContact OH-CB 3.4Å; Y167-A232 PolarHBondContact OH-O 3.07Å; Y167-L233 HydrophobicContact CD2-CD2 3.72Å; Y167-L233 HydrophobicContact CE2-CD2 3.91Å; Y167-L233 HydrophobicContact CG-CD2 4.21Å
168	V	98.7	Very high	95.1	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	117	175.4	178	0	0	0	0	109.1	Y57 Y140 I162 L170 I200 L201 G202	Y57-V168 WeakPolarHBondContact O-CA 3.3Å; Y140-V168 HydrophobicContact CD1-CG2 3.89Å; Y140-V168 HydrophobicContact CD2-CB 4.45Å; Y140-V168 HydrophobicContact CD2-CG1 3.85Å; Y140-V168 HydrophobicContact CD2-CG2 3.76Å; Y140-V168 HydrophobicContact CE1-CG2 3.75Å; Y140-V168 HydrophobicContact CE2-CB 4.38Å; Y140-V168 HydrophobicContact CE2-CG1 3.75Å; Y140-V168 HydrophobicContact CE2-CG2 3.64Å; Y140-V168 HydrophobicContact CG-CG2 3.89Å; I162-V168 HydrophobicContact CB-CG2 4.44Å; I162-V168 HydrophobicContact CD1-CG2 4.07Å; I162-V168 HydrophobicContact CG1-CG2 3.78Å; I162-V168 HydrophobicContact CG2-CG2 4.02Å; V168-L170 HydrophobicContact CG1-CD2 3.94Å; V168-I200 PolarHBondContact N-O 3.13Å; V168-L201 HydrophobicContact CB-CB 4.24Å; V168-L201 HydrophobicContact CB-CD1 3.81Å; V168-L201 HydrophobicContact CB-CG 3.85Å; V168-L201 HydrophobicContact CG1-CD1 3.84Å; V168-L201 HydrophobicContact CG1-CG 4.05Å; V168-L201 HydrophobicContact CG2-CD1 4.4Å; V168-L201 VanDerWaalsContact O-CA 3.32Å; V168-L201 WeakPolarHBondContact O-CA 3.49Å; V168-G202 PolarHBondContact O-N 3.37Å; V168-G202 VanDerWaalsContact O-N 3.09Å
169	L	98.8	Very high	94.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	112.9	179.5	-178.6	67.7	0	0	0	109.7	F56 Y57 T58 H59 I81 Y167 V171 V204 I229 A232	F56-L169 HydrophobicContact CD1-CB 3.82Å; F56-L169 HydrophobicContact CD1-CD2 4.15Å; F56-L169 HydrophobicContact CE1-CB 4.29Å; F56-L169 HydrophobicContact CE1-CD2 4.26Å; Y57-L169 PolarHBondContact O-N 2.91Å; T58-L169 CarbonylContact C-O 3.5Å; T58-L169 VanDerWaalsContact CA-O 3.29Å; T58-L169 WeakPolarHBondContact CA-O 3.48Å; T58-L169 HydrophobicContact CG2-CB 4.36Å; T58-L169 HydrophobicContact CG2-CD2 4.23Å; T58-L169 HydrophobicContact CG2-CG 4.41Å; H59-L169 PolarHBondContact N-O 2.79Å; I81-L169 HydrophobicContact CD1-CD2 4.19Å; I81-L169 HydrophobicContact CG1-CD2 4.03Å; Y167-L169 HydrophobicContact CD1-CB 4.14Å; Y167-L169 HydrophobicContact CE1-CB 4.13Å; Y167-L169 HydrophobicContact CE1-CD1 4.1Å; L169-V171 HydrophobicContact CD2-CG2 4.14Å; L169-V171 HydrophobicContact CG-CG2 4.03Å; L169-V204 HydrophobicContact CD1-CG2 3.94Å; L169-I229 HydrophobicContact CD2-CD1 3.89Å; L169-I229 HydrophobicContact CD2-CG1 3.88Å; L169-A232 HydrophobicContact CD1-CB 4.18Å
170	L	98.7	Very high	94.5	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	123.4	173.4	-50.6	-178.2	0	0	0	109	H59 C131 A134 I136 P137 V168 G202 Y203 V204	H59-L170 HydrophobicContact CB-CD2 3.89Å; C131-L170 HydrophobicContact CB-CD1 3.85Å; A134-L170 HydrophobicContact CB-CB 3.86Å; A134-L170 HydrophobicContact CB-CD1 3.67Å; A134-L170 HydrophobicContact CB-CG 4.4Å; I136-L170 HydrophobicContact CG1-CD1 4.19Å; P137-L170 HydrophobicContact CG-CD2 4.5Å; V168-L170 HydrophobicContact CG1-CD2 3.94Å; L170-G202 PolarHBondContact N-O 2.87Å; L170-Y203 CarbonylContact O-C 3.57Å; L170-Y203 WeakPolarHBondContact O-CA 3.34Å; L170-Y203 WeakPolarHBondContact O-CB 3.27Å; L170-V204 PolarHBondContact O-N 2.96Å
171	V	98.4	Very high	94	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	110.1	178.4	-171.6	0	0	0	0	108.5	T58 H59 F60 T61 F64 L169 V204 F225	T58-V171 HydrophobicContact CG2-CG2 3.7Å; H59-V171 PolarHBondContact O-N 3.46Å; F60-V171 WeakPolarHBondContact CA-O 3.49Å; F60-V171 HydrophobicContact CD1-CB 3.58Å; F60-V171 HydrophobicContact CD1-CG1 3.77Å; F60-V171 HydrophobicContact CD1-CG2 4.16Å; F60-V171 HydrophobicContact CE1-CB 3.81Å; F60-V171 HydrophobicContact CE1-CG1 3.81Å; F60-V171 HydrophobicContact CE1-CG2 3.95Å; F60-V171 HydrophobicContact CG-CB 4.34Å; F60-V171 HydrophobicContact CZ-CG2 4.47Å; T61-V171 PolarHBondContact N-O 3.3Å; F64-V171 HydrophobicContact CD2-CG1 3.67Å; F64-V171 HydrophobicContact CE2-CG1 3.65Å; F64-V171 HydrophobicContact CG-CG1 4.49Å; F64-V171 HydrophobicContact CZ-CG1 4.48Å; L169-V171 HydrophobicContact CD2-CG2 4.14Å; L169-V171 HydrophobicContact CG-CG2 4.03Å; V171-V204 WeakPolarHBondContact CA-O 3.24Å; V171-F225 HydrophobicContact CG1-CE1 4.25Å
172	D	97.2	Very high	93.6	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	169.1	-174	-155.6	-2.4	0	0	0	111.2	T61 N63 A134 I174 V204 N205 V206	T61-D172 WeakPolarHBondContact CB-OD1 3.34Å; T61-D172 HydrophobicContact CG2-CB 3.83Å; T61-D172 WeakPolarHBondContact OG1-CA 3.35Å; T61-D172 PolarHBondContact OG1-OD1 3.34Å; N63-D172 WeakPolarHBondContact CB-OD1 3.43Å; N63-D172 PolarHBondContact ND2-OD1 2.89Å; N63-D172 VanDerWaalsContact ND2-OD1 3.11Å; A134-D172 HydrophobicContact CB-CB 4.32Å; D172-I174 WeakPolarHBondContact OD2-CD1 3.32Å; D172-V204 PolarHBondContact N-O 3.07Å; D172-N205 CarbonylContact O-C 3.58Å; D172-N205 WeakPolarHBondContact O-CA 3.39Å; D172-V206 PolarHBondContact O-N 3.03Å
173	A	97	Very high	93.3	Very high	7 Å²	7	36 Å²	36	6%	0.058	22%	0.219	C	C	.	.			trans	-146.1	70.3	178.7	0	0	0	0	0	112.4	F64 L67 V206 P208	F64-A173 HydrophobicContact CB-CB 4.41Å; L67-A173 HydrophobicContact CD1-CB 3.6Å; L67-A173 HydrophobicContact CD2-CB 4Å; L67-A173 HydrophobicContact CG-CB 3.78Å; A173-V206 VanDerWaalsContact CA-O 3.24Å; A173-V206 WeakPolarHBondContact CA-O 3.49Å; A173-V206 HydrophobicContact CB-CB 4.48Å; A173-P208 WeakPolarHBondContact O-CG 3.5Å
174	I	95.2	Very high	93.3	Very high	51 Å²	51	34.7 Å²	34.7	26%	0.262	21%	0.21	S	C	.	.			trans	-109.8	139.3	179.3	-61.2	172.4	0	0	0	109.6	N63 R133 D172 T176 N205	N63-I174 HydrophobicContact CB-CG1 4.32Å; N63-I174 WeakPolarHBondContact ND2-CD1 3.42Å; N63-I174 WeakPolarHBondContact ND2-CG1 3.18Å; R133-I174 HydrophobicContact CB-CD1 3.76Å; D172-I174 WeakPolarHBondContact OD2-CD1 3.32Å; I174-T176 HydrophobicContact CB-CG2 4.35Å; I174-T176 HydrophobicContact CG2-CG2 4.22Å; I174-T176 PolarHBondContact O-N 3.18Å; I174-N205 PolarHBondContact N-OD1 3.32Å; I174-N205 PolarHBondContact O-ND2 2.78Å; I174-N205 PolarHBondContact O-OD1 3.46Å
175	N	94.4	Very high	93.6	Very high	122 Å²	122	33.9 Å²	33.9	65%	0.652	20%	0.204	S	C	*	.			trans	-73.7	91.7	170.5	-173.4	23.2	0	0	0	110.2	C179 P208	N175-C179 WeakPolarHBondContact OD1-CB 3.41Å; N175-P208 HydrophobicContact CB-CG 4.5Å
176	T	92.6	Very high	93.7	Very high	25 Å²	25	33.9 Å²	33.9	15%	0.153	20%	0.203	C	C	.	.			trans	-91.3	171.6	178.6	74.3	0	0	0	0	111.4	R133 I174 T178 C179 H186	R133-T176 HydrophobicContact CG-CG2 4.48Å; I174-T176 HydrophobicContact CB-CG2 4.35Å; I174-T176 HydrophobicContact CG2-CG2 4.22Å; I174-T176 PolarHBondContact O-N 3.18Å; T176-T178 PolarHBondContact O-N 3.02Å; T176-T178 WeakPolarHBondContact OG1-CB 3.31Å; T176-T178 PolarHBondContact OG1-N 3.01Å; T176-C179 VanDerWaalsContact O-CB 3.32Å; T176-C179 WeakPolarHBondContact O-CB 3.16Å; T176-C179 PolarHBondContact O-N 3.47Å; T176-H186 PolarHBondContact OG1-NE2 3.39Å
177	K	89.8	Confident	93.6	Very high	200 Å²	200	33.8 Å²	33.8	87%	0.87	20%	0.202	S	C	*	.	G	3₁₀ helix	trans	-57.1	-30.3	172	-65.9	-175.4	179	-177.2	0	112.6	C179 S180	K177-C179 VanDerWaalsContact C-N 3.26Å; K177-C179 PolarHBondContact O-N 2.87Å; K177-S180 WeakPolarHBondContact O-CB 3.34Å; K177-S180 PolarHBondContact O-N 3.34Å; K177-S180 PolarHBondContact O-OG 3.19Å
178	T	89.3	Confident	93.5	Very high	45 Å²	45	33.8 Å²	33.8	28%	0.276	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-68.2	-25.2	177.2	-50.4	0	0	0	0	112.2	T176 S180 T183 H186	T176-T178 PolarHBondContact O-N 3.02Å; T176-T178 WeakPolarHBondContact OG1-CB 3.31Å; T176-T178 PolarHBondContact OG1-N 3.01Å; T178-S180 PolarHBondContact O-N 3.21Å; T178-S180 VanDerWaalsContact O-N 3.11Å; T178-T183 HydrophobicContact CG2-CG2 4.24Å; T178-T183 WeakPolarHBondContact O-CB 3.37Å; T178-T183 VanDerWaalsContact O-CG2 3.26Å; T178-T183 WeakPolarHBondContact O-CG2 3.29Å; T178-T183 PolarHBondContact O-OG1 2.86Å; T178-H186 HydrophobicContact CG2-CB 3.83Å
179	C	91	Very high	93.4	Very high	4 Å²	4	33.8 Å²	33.8	3%	0.027	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-74.4	9	176.5	-64.1	0	0	0	0	114.5	N175 T176 K177 C207	N175-C179 WeakPolarHBondContact OD1-CB 3.41Å; T176-C179 VanDerWaalsContact O-CB 3.32Å; T176-C179 WeakPolarHBondContact O-CB 3.16Å; T176-C179 PolarHBondContact O-N 3.47Å; K177-C179 VanDerWaalsContact C-N 3.26Å; K177-C179 PolarHBondContact O-N 2.87Å; C179-C207 WeakPolarHBondContact CA-SG 3.31Å; C179-C207 HydrophobicContact CB-CB 3.59Å; C179-C207 WeakPolarHBondContact CB-SG 3.47Å; C179-C207 WeakPolarHBondContact SG-CA 3.49Å; C179-C207 WeakPolarHBondContact SG-CB 3.33Å; C179-C207 CovalentContact SG-SG 2.04Å; C179-C207 PolarHBondContact SG-SG 3.07Å
180	S	86.8	Confident	93.2	Very high	81 Å²	81	34.4 Å²	34.4	57%	0.566	21%	0.206	S	C	*	.	S	Bend	trans	-70.4	153.9	172.8	55.3	0	0	0	0	111.9	K177 T178 S182 T183	K177-S180 WeakPolarHBondContact O-CB 3.34Å; K177-S180 PolarHBondContact O-N 3.34Å; K177-S180 PolarHBondContact O-OG 3.19Å; T178-S180 PolarHBondContact O-N 3.21Å; T178-S180 VanDerWaalsContact O-N 3.11Å; S180-S182 PolarHBondContact O-N 3.09Å; S180-T183 PolarHBondContact O-OG1 3.13Å
181	G	86.2	Confident	93.1	Very high	63 Å²	63	35.3 Å²	35.3	65%	0.649	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	-132.3	178.7	0	0	0	0	0	113.8	K210	G181-K210 PolarHBondContact O-NZ 2.9Å
182	S	85.9	Confident	93	Very high	71 Å²	71	35.3 Å²	35.3	50%	0.497	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.6	4.9	-177.1	53.5	0	0	0	0	114.1	F24 S180 V184	F24-S182 WeakPolarHBondContact CD2-OG 3.3Å; S180-S182 PolarHBondContact O-N 3.09Å; S182-V184 PolarHBondContact O-N 3.27Å
183	T	90.6	Very high	92.9	Very high	20 Å²	20	35.2 Å²	35.2	12%	0.123	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.1	120.6	179.3	-56.4	0	0	0	0	111.2	F24 T178 S180 A185	F24-T183 VanDerWaalsContact O-CA 3.31Å; F24-T183 WeakPolarHBondContact O-CA 3.47Å; T178-T183 HydrophobicContact CG2-CG2 4.24Å; T178-T183 WeakPolarHBondContact O-CB 3.37Å; T178-T183 VanDerWaalsContact O-CG2 3.26Å; T178-T183 WeakPolarHBondContact O-CG2 3.29Å; T178-T183 PolarHBondContact O-OG1 2.86Å; S180-T183 PolarHBondContact O-OG1 3.13Å; T183-A185 VanDerWaalsContact CG2-O 3.25Å; T183-A185 WeakPolarHBondContact CG2-O 3.34Å
184	V	92.6	Very high	92.7	Very high	6 Å²	6	38.8 Å²	38.8	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-27.9	-178.6	-61.9	0	0	0	0	113.8	F24 S182 C207 K210 I224	F24-V184 WeakPolarHBondContact O-CG2 3.23Å; F24-V184 PolarHBondContact O-N 3.33Å; S182-V184 PolarHBondContact O-N 3.27Å; V184-C207 WeakPolarHBondContact O-CB 3.48Å; V184-C207 PolarHBondContact O-N 2.88Å; V184-K210 HydrophobicContact CB-CB 4.33Å; V184-K210 HydrophobicContact CG1-CB 4.23Å; V184-I224 HydrophobicContact CB-CD1 4.36Å; V184-I224 HydrophobicContact CG2-CD1 3.53Å; V184-I224 HydrophobicContact CG2-CG1 3.93Å; V184-I224 HydrophobicContact CG2-CG2 4.03Å
185	A	94.7	Very high	92.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	167.4	178.8	0	0	0	0	0	109.5	G26 T183 N205 M211 I224 E228	G26-A185 PolarHBondContact N-O 2.84Å; T183-A185 VanDerWaalsContact CG2-O 3.25Å; T183-A185 WeakPolarHBondContact CG2-O 3.34Å; A185-N205 VanDerWaalsContact CA-O 3.23Å; A185-N205 WeakPolarHBondContact CA-O 3.43Å; A185-N205 WeakPolarHBondContact CB-O 3.36Å; A185-M211 HydrophobicContact CB-CE 4.21Å; A185-I224 HydrophobicContact CB-CG2 3.73Å; A185-E228 VanDerWaalsContact C-OE1 3.25Å; A185-E228 HydrophobicContact CB-CG 3.81Å; A185-E228 WeakPolarHBondContact CB-OE1 3.32Å
186	H	94.6	Very high	92.5	Very high	8 Å²	8	35.3 Å²	35.3	4%	0.037	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	153.2	167.6	64.6	88	0	0	0	110.3	T176 T178 Y203 N205 E228	T176-H186 PolarHBondContact OG1-NE2 3.39Å; T178-H186 HydrophobicContact CG2-CB 3.83Å; H186-Y203 AromaticContact CE1-CE2 3.7Å; H186-Y203 AromaticContact ND1-CE2 3.61Å; H186-N205 PolarHBondContact N-O 3.13Å; H186-N205 VanDerWaalsContact N-O 3.08Å; H186-N205 PolarHBondContact NE2-ND2 3.14Å; H186-N205 PolarHBondContact O-N 2.9Å; H186-E228 VanDerWaalsContact CA-OE2 3.31Å; H186-E228 WeakPolarHBondContact CA-OE2 3.25Å
187	A	95.8	Very high	92.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	164.4	-179.7	0	0	0	0	0	112.6	P28 Y203 V204 E228 H231	P28-A187 WeakPolarHBondContact CA-O 3.45Å; P28-A187 VanDerWaalsContact CB-O 3.24Å; P28-A187 WeakPolarHBondContact CB-O 3.48Å; P28-A187 WeakPolarHBondContact CG-O 3.37Å; A187-Y203 WeakPolarHBondContact CA-O 3.44Å; A187-Y203 WeakPolarHBondContact CB-O 3.43Å; A187-V204 HydrophobicContact CB-CB 4.5Å; A187-V204 HydrophobicContact CB-CG2 3.96Å; A187-E228 HydrophobicContact CB-CB 3.76Å; A187-E228 HydrophobicContact CB-CG 4.5Å; A187-E228 WeakPolarHBondContact CB-O 3.22Å; A187-E228 WeakPolarHBondContact CB-OE2 3.32Å; A187-E228 PolarHBondContact N-OE2 3.48Å; A187-H231 HydrophobicContact CB-CB 4.14Å
188	S	95.2	Very high	93	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	155.3	171.1	-173.1	0	0	0	0	110.9	G202 Y203	S188-G202 VanDerWaalsContact O-CA 3.22Å; S188-G202 WeakPolarHBondContact O-CA 3.44Å; S188-Y203 PolarHBondContact N-O 2.79Å; S188-Y203 PolarHBondContact O-N 3.12Å
189	S	96.3	Very high	93.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	149.4	157.4	-45	0	0	0	0	109.8	L33 P199 A232	L33-S189 VanDerWaalsContact CD2-O 3.23Å; L33-S189 WeakPolarHBondContact CD2-O 3.45Å; S189-P199 WeakPolarHBondContact OG-CB 3.5Å; S189-A232 PolarHBondContact OG-O 2.69Å
190	C	96	Very high	93.7	Very high	14 Å²	14	22.6 Å²	22.6	10%	0.095	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	-46.5	173.4	-70.3	0	0	0	0	111.7	C131 L201	C131-C190 WeakPolarHBondContact CA-SG 3.33Å; C131-C190 HydrophobicContact CB-CB 3.7Å; C131-C190 WeakPolarHBondContact CB-SG 3.35Å; C131-C190 WeakPolarHBondContact SG-CB 3.38Å; C131-C190 CovalentContact SG-SG 2.02Å; C131-C190 PolarHBondContact SG-SG 2.81Å; C190-L201 HydrophobicContact CB-CD2 3.81Å; C190-L201 PolarHBondContact N-O 3.33Å
191	L	96.6	Very high	94.2	Very high	21 Å²	21	18.8 Å²	18.8	11%	0.11	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	142.6	-175.7	-56.6	171.6	0	0	0	111.4	D34 T36 A100 I136 I200 L201	D34-L191 HydrophobicContact CB-CD2 4.33Å; D34-L191 WeakPolarHBondContact O-CA 3.49Å; T36-L191 HydrophobicContact CG2-CB 3.92Å; T36-L191 HydrophobicContact CG2-CD1 4.07Å; A100-L191 HydrophobicContact CB-CD1 3.4Å; I136-L191 HydrophobicContact CD1-CD1 4.05Å; L191-I200 PolarHBondContact O-N 3.25Å; L191-L201 HydrophobicContact CB-CB 4.17Å; L191-L201 HydrophobicContact CD1-CB 4.42Å; L191-L201 HydrophobicContact CD1-CD1 4.3Å; L191-L201 HydrophobicContact CD1-CD2 4.4Å; L191-L201 PolarHBondContact N-O 3.49Å; L191-L201 VanDerWaalsContact N-O 3.1Å; L191-L201 PolarHBondContact O-N 2.73Å
192	M	96.3	Very high	94.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	149.1	175.7	-65.1	179.2	-58.2	0	0	110.4	L33 D34 H35 T36 E194 D197 R198 P199 F242	L33-M192 HydrophobicContact CB-CE 3.45Å; L33-M192 VanDerWaalsContact CB-CE 3.45Å; L33-M192 HydrophobicContact CB-CG 4.4Å; L33-M192 HydrophobicContact CB-SD 3.97Å; L33-M192 HydrophobicContact CD1-CE 4.28Å; L33-M192 HydrophobicContact CD1-CG 4.35Å; L33-M192 HydrophobicContact CD1-SD 3.72Å; L33-M192 HydrophobicContact CG-SD 4.47Å; D34-M192 PolarHBondContact O-N 3.04Å; H35-M192 VanDerWaalsContact CA-O 3.31Å; H35-M192 WeakPolarHBondContact CA-O 3.43Å; T36-M192 PolarHBondContact N-O 3.4Å; T36-M192 PolarHBondContact OG1-O 3.45Å; M192-E194 PolarHBondContact O-N 2.85Å; M192-D197 HydrophobicContact SD-CB 4.4Å; M192-R198 CarbonylContact C-O 3.51Å; M192-R198 VanDerWaalsContact CA-O 3.27Å; M192-R198 WeakPolarHBondContact CA-O 3.25Å; M192-P199 HydrophobicContact CG-CG 4.48Å; M192-F242 HydrophobicContact CE-CD1 3.59Å; M192-F242 HydrophobicContact CE-CD2 4.01Å; M192-F242 HydrophobicContact CE-CE1 3.6Å; M192-F242 HydrophobicContact CE-CE2 4.02Å; M192-F242 HydrophobicContact CE-CG 3.79Å; M192-F242 HydrophobicContact CE-CZ 3.82Å; M192-F242 HydrophobicContact SD-CB 3.89Å; M192-F242 HydrophobicContact SD-CD1 4Å; M192-F242 HydrophobicContact SD-CD2 4.03Å; M192-F242 HydrophobicContact SD-CG 3.7Å
193	H	95	Very high	95.3	Very high	1 Å²	1	13 Å²	13	1%	0.005	7%	0.065	C	C	.	.			trans	-62.6	131.8	170.2	-175.9	-64.9	0	0	0	109.9	P93 Q98 E195 T196 D197 R198 I200	P93-H193 PolarHBondContact O-NE2 2.55Å; Q98-H193 PolarHBondContact NE2-NE2 3.39Å; H193-E195 IonicContact CE1-OE2 2.69Å; H193-E195 PolarHBondContact ND1-N 3.1Å; H193-E195 PolarHBondContact O-N 2.95Å; H193-T196 WeakPolarHBondContact CB-OG1 3.41Å; H193-T196 PolarHBondContact O-N 3.47Å; H193-D197 WeakPolarHBondContact O-CA 3.22Å; H193-D197 PolarHBondContact O-N 3.48Å; H193-R198 PolarHBondContact N-O 3.03Å; H193-I200 HydrophobicContact CB-CD1 4.12Å; H193-I200 HydrophobicContact CB-CG2 3.86Å
194	E	92.2	Very high	95.7	Very high	83 Å²	83	12.1 Å²	12.1	39%	0.388	6%	0.06	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-53	-175.5	-172.8	-157.4	-164.5	0	0	113.7	P38 M192	P38-E194 VanDerWaalsContact CD-OE2 3.25Å; P38-E194 WeakPolarHBondContact CD-OE2 3.11Å; P38-E194 WeakPolarHBondContact CG-OE2 3.43Å; M192-E194 PolarHBondContact O-N 2.85Å
195	E	91.1	Very high	95.9	Very high	84 Å²	84	12 Å²	12	39%	0.393	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-28.6	-174	-59.8	175.6	170.2	0	0	114.7	S95 H193 R244	S95-E195 PolarHBondContact OG-OE1 3.07Å; H193-E195 IonicContact CE1-OE2 2.69Å; H193-E195 PolarHBondContact ND1-N 3.1Å; H193-E195 PolarHBondContact O-N 2.95Å; E195-R244 PolarHBondContact O-NH1 3.11Å; E195-R244 PolarHBondContact O-NH2 3.31Å
196	T	93.2	Very high	96	Very high	16 Å²	16	12.1 Å²	12.1	10%	0.098	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.9	-5.6	-164.5	63.8	0	0	0	0	113.9	K92 H193 R198 R244 W366	K92-T196 HydrophobicContact CB-CG2 4.13Å; H193-T196 WeakPolarHBondContact CB-OG1 3.41Å; H193-T196 PolarHBondContact O-N 3.47Å; T196-R198 PolarHBondContact O-N 2.91Å; T196-R244 VanDerWaalsContact C-NE 3.31Å; T196-R244 WeakPolarHBondContact O-CD 3.27Å; T196-R244 PolarHBondContact O-NE 3.13Å; T196-R244 VanDerWaalsContact O-NE 3.08Å; T196-W366 PolarHBondContact O-NE1 2.81Å
197	D	95.9	Very high	96	Very high	4 Å²	4	11.8 Å²	11.8	2%	0.021	6%	0.058	C	C	.	.			trans	51.2	13.1	-171	-40.4	-32.7	0	0	0	114.6	H35 M192 H193 P199 F242 R244 R254 W366	H35-D197 IonicContact CE1-OD1 3.14Å; H35-D197 IonicContact NE2-OD1 3.2Å; H35-D197 PolarHBondContact NE2-OD1 3.39Å; M192-D197 HydrophobicContact SD-CB 4.4Å; H193-D197 WeakPolarHBondContact O-CA 3.22Å; H193-D197 PolarHBondContact O-N 3.48Å; D197-P199 WeakPolarHBondContact O-CD 3.23Å; D197-F242 HydrophobicContact CB-CB 3.85Å; D197-F242 HydrophobicContact CB-CD1 4.08Å; D197-F242 HydrophobicContact CB-CG 4.42Å; D197-R244 IonicContact OD1-CZ 3.35Å; D197-R244 IonicContact OD1-NE 2.61Å; D197-R244 IonicContact OD1-NH2 2.85Å; D197-R244 PolarHBondContact OD1-NH2 3.36Å; D197-R244 IonicContact OD2-CZ 2.61Å; D197-R244 IonicContact OD2-NE 2.87Å; D197-R244 PolarHBondContact OD2-NE 3.21Å; D197-R244 IonicContact OD2-NH2 3.85Å; D197-R244 PolarHBondContact OD2-NH2 3.24Å; D197-R254 IonicContact OD2-CZ 3.5Å; D197-R254 IonicContact OD2-NE 3.28Å; D197-R254 IonicContact OD2-NH2 2.72Å; D197-R254 PolarHBondContact OD2-NH2 3.5Å; D197-W366 PolarHBondContact O-NE1 3.45Å
198	R	96.8	Very high	96	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.008	7%	0.074	C	C	.	.			trans	-67.3	129.2	177.9	176.5	176.3	77.5	89.8	-4.5	108.5	S164 G166 M192 H193 T196 I200 W366	S164-R198 PolarHBondContact O-NH2 2.97Å; G166-R198 PolarHBondContact O-NH1 3.41Å; G166-R198 PolarHBondContact O-NH2 3.01Å; M192-R198 CarbonylContact C-O 3.51Å; M192-R198 VanDerWaalsContact CA-O 3.27Å; M192-R198 WeakPolarHBondContact CA-O 3.25Å; H193-R198 PolarHBondContact N-O 3.03Å; T196-R198 PolarHBondContact O-N 2.91Å; R198-I200 HydrophobicContact CG-CG2 4.36Å; R198-I200 VanDerWaalsContact CZ-CG2 3.42Å; R198-I200 WeakPolarHBondContact O-CG2 3.48Å; R198-I200 PolarHBondContact O-N 2.99Å; R198-W366 HydrophobicContact CB-CB 4.15Å; R198-W366 HydrophobicContact CB-CG 3.92Å; R198-W366 HydrophobicContact CG-CB 3.9Å; R198-W366 HydrophobicContact CG-CG 4.08Å
199	P	97.5	Very high	95.8	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	127.1	167.2	-28.5	38.8	0	0	0	111.2	Y167 S189 M192 D197 W366	Y167-P199 VanDerWaalsContact CD2-O 3.32Å; Y167-P199 WeakPolarHBondContact CD2-O 3.44Å; Y167-P199 HydrophobicContact CE2-CB 4.22Å; Y167-P199 WeakPolarHBondContact CE2-O 3.41Å; S189-P199 WeakPolarHBondContact OG-CB 3.5Å; M192-P199 HydrophobicContact CG-CG 4.48Å; D197-P199 WeakPolarHBondContact O-CD 3.23Å; P199-W366 HydrophobicContact CG-CE3 4.48Å; P199-W366 HydrophobicContact CG-CH2 4.19Å; P199-W366 HydrophobicContact CG-CZ3 4.11Å
200	I	97.5	Very high	95.5	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	-9.2	-177.5	60.8	172.7	0	0	0	114.1	T36 Q98 I162 Y167 V168 L191 H193 R198	T36-I200 HydrophobicContact CG2-CD1 3.68Å; T36-I200 HydrophobicContact CG2-CG1 4.3Å; Q98-I200 HydrophobicContact CB-CD1 3.7Å; Q98-I200 HydrophobicContact CG-CD1 3.9Å; I162-I200 HydrophobicContact CD1-CD1 4.18Å; I162-I200 HydrophobicContact CD1-CG1 4.39Å; Y167-I200 CarbonylContact C-O 3.49Å; Y167-I200 WeakPolarHBondContact CA-O 3.09Å; V168-I200 PolarHBondContact N-O 3.13Å; L191-I200 PolarHBondContact O-N 3.25Å; H193-I200 HydrophobicContact CB-CD1 4.12Å; H193-I200 HydrophobicContact CB-CG2 3.86Å; R198-I200 HydrophobicContact CG-CG2 4.36Å; R198-I200 VanDerWaalsContact CZ-CG2 3.42Å; R198-I200 WeakPolarHBondContact O-CG2 3.48Å; R198-I200 PolarHBondContact O-N 2.99Å
201	L	98.2	Very high	95.3	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	133.7	173	-173.1	152.5	0	0	0	108.9	C131 I136 I162 V168 C190 L191	C131-L201 HydrophobicContact CB-CD2 3.55Å; C131-L201 WeakPolarHBondContact SG-CD2 3.12Å; I136-L201 HydrophobicContact CD1-CD1 3.94Å; I136-L201 HydrophobicContact CD1-CD2 3.87Å; I136-L201 HydrophobicContact CG1-CD1 4.16Å; I136-L201 HydrophobicContact CG1-CD2 4.15Å; I136-L201 HydrophobicContact CG2-CD1 3.78Å; I162-L201 HydrophobicContact CD1-CB 4.25Å; I162-L201 HydrophobicContact CD1-CD1 4.04Å; V168-L201 HydrophobicContact CB-CB 4.24Å; V168-L201 HydrophobicContact CB-CD1 3.81Å; V168-L201 HydrophobicContact CB-CG 3.85Å; V168-L201 HydrophobicContact CG1-CD1 3.84Å; V168-L201 HydrophobicContact CG1-CG 4.05Å; V168-L201 HydrophobicContact CG2-CD1 4.4Å; V168-L201 VanDerWaalsContact O-CA 3.32Å; V168-L201 WeakPolarHBondContact O-CA 3.49Å; C190-L201 HydrophobicContact CB-CD2 3.81Å; C190-L201 PolarHBondContact N-O 3.33Å; L191-L201 HydrophobicContact CB-CB 4.17Å; L191-L201 HydrophobicContact CD1-CB 4.42Å; L191-L201 HydrophobicContact CD1-CD1 4.3Å; L191-L201 HydrophobicContact CD1-CD2 4.4Å; L191-L201 PolarHBondContact N-O 3.49Å; L191-L201 VanDerWaalsContact N-O 3.1Å; L191-L201 PolarHBondContact O-N 2.73Å
202	G	97.9	Very high	95	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	-174.9	176.9	0	0	0	0	0	111.2	Y167 V168 L170 S188	Y167-G202 VanDerWaalsContact OH-CA 3.28Å; Y167-G202 WeakPolarHBondContact OH-CA 3.41Å; Y167-G202 PolarHBondContact OH-N 3.4Å; V168-G202 PolarHBondContact O-N 3.37Å; V168-G202 VanDerWaalsContact O-N 3.09Å; L170-G202 PolarHBondContact N-O 2.87Å; S188-G202 VanDerWaalsContact O-CA 3.22Å; S188-G202 WeakPolarHBondContact O-CA 3.44Å
203	Y	97.7	Very high	94.8	Very high	14 Å²	14	28.4 Å²	28.4	6%	0.055	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	157.1	-178.6	74.2	-84.8	0	0	0	112.2	P29 L170 H186 A187 S188 N205	P29-Y203 WeakPolarHBondContact CG-OH 3.46Å; L170-Y203 CarbonylContact O-C 3.57Å; L170-Y203 WeakPolarHBondContact O-CA 3.34Å; L170-Y203 WeakPolarHBondContact O-CB 3.27Å; H186-Y203 AromaticContact CE1-CE2 3.7Å; H186-Y203 AromaticContact ND1-CE2 3.61Å; A187-Y203 WeakPolarHBondContact CA-O 3.44Å; A187-Y203 WeakPolarHBondContact CB-O 3.43Å; S188-Y203 PolarHBondContact N-O 2.79Å; S188-Y203 PolarHBondContact O-N 3.12Å; Y203-N205 HydrophobicContact CD2-CB 4.16Å; Y203-N205 HydrophobicContact CE2-CB 4.13Å
204	V	97.9	Very high	94.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	126.9	164.6	173.5	0	0	0	0	107	L169 L170 V171 D172 A187 F225 E228 I229	L169-V204 HydrophobicContact CD1-CG2 3.94Å; L170-V204 PolarHBondContact O-N 2.96Å; V171-V204 WeakPolarHBondContact CA-O 3.24Å; D172-V204 PolarHBondContact N-O 3.07Å; A187-V204 HydrophobicContact CB-CB 4.5Å; A187-V204 HydrophobicContact CB-CG2 3.96Å; V204-F225 HydrophobicContact CG1-CD1 4.28Å; V204-F225 HydrophobicContact CG1-CE1 4.23Å; V204-E228 HydrophobicContact CB-CB 4.44Å; V204-E228 HydrophobicContact CG1-CB 3.82Å; V204-E228 HydrophobicContact CG1-CG 4.3Å; V204-E228 HydrophobicContact CG2-CB 3.84Å; V204-I229 HydrophobicContact CG2-CG1 4.07Å
205	N	97	Very high	94.5	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	114.6	174.4	-178	88.6	0	0	0	109.7	D172 I174 A185 H186 Y203	D172-N205 CarbonylContact O-C 3.58Å; D172-N205 WeakPolarHBondContact O-CA 3.39Å; I174-N205 PolarHBondContact N-OD1 3.32Å; I174-N205 PolarHBondContact O-ND2 2.78Å; I174-N205 PolarHBondContact O-OD1 3.46Å; A185-N205 VanDerWaalsContact CA-O 3.23Å; A185-N205 WeakPolarHBondContact CA-O 3.43Å; A185-N205 WeakPolarHBondContact CB-O 3.36Å; H186-N205 PolarHBondContact N-O 3.13Å; H186-N205 VanDerWaalsContact N-O 3.08Å; H186-N205 PolarHBondContact NE2-ND2 3.14Å; H186-N205 PolarHBondContact O-N 2.9Å; Y203-N205 HydrophobicContact CD2-CB 4.16Å; Y203-N205 HydrophobicContact CE2-CB 4.13Å
206	V	96.7	Very high	94.4	Very high	2 Å²	2	35 Å²	35	1%	0.012	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	122.4	173.1	179.9	0	0	0	0	108.7	F64 L67 D172 A173 P208 M211 F225	F64-V206 HydrophobicContact CE2-CG2 4.22Å; L67-V206 HydrophobicContact CD1-CB 4.25Å; L67-V206 HydrophobicContact CD1-CG1 4.03Å; D172-V206 PolarHBondContact O-N 3.03Å; A173-V206 VanDerWaalsContact CA-O 3.24Å; A173-V206 WeakPolarHBondContact CA-O 3.49Å; A173-V206 HydrophobicContact CB-CB 4.48Å; V206-P208 VanDerWaalsContact O-CD 3.28Å; V206-P208 WeakPolarHBondContact O-CD 3.2Å; V206-M211 HydrophobicContact CG1-CB 4.1Å; V206-M211 HydrophobicContact CG1-CE 4.08Å; V206-M211 HydrophobicContact CG1-SD 4.25Å; V206-M211 HydrophobicContact CG2-CE 4.38Å; V206-F225 HydrophobicContact CG2-CE1 3.97Å; V206-F225 HydrophobicContact CG2-CZ 3.74Å
207	C	95.6	Very high	94.2	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.007	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-71.7	119.3	177.8	-67.7	0	0	0	0	110.2	C179 V184 G209 K210	C179-C207 WeakPolarHBondContact CA-SG 3.31Å; C179-C207 HydrophobicContact CB-CB 3.59Å; C179-C207 WeakPolarHBondContact CB-SG 3.47Å; C179-C207 WeakPolarHBondContact SG-CA 3.49Å; C179-C207 WeakPolarHBondContact SG-CB 3.33Å; C179-C207 CovalentContact SG-SG 2.04Å; C179-C207 PolarHBondContact SG-SG 3.07Å; V184-C207 WeakPolarHBondContact O-CB 3.48Å; V184-C207 PolarHBondContact O-N 2.88Å; C207-G209 PolarHBondContact O-N 3.43Å; C207-K210 HydrophobicContact CB-CB 4.03Å; C207-K210 HydrophobicContact CB-CG 3.77Å; C207-K210 WeakPolarHBondContact O-CB 3.23Å; C207-K210 PolarHBondContact O-N 3.06Å
208	P	95.2	Very high	94	Very high	51 Å²	51	37.1 Å²	37.1	33%	0.331	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	133.6	-175.6	-27.7	36.5	0	0	0	112.8	L67 A173 N175 V206 K210	L67-P208 HydrophobicContact CD2-CB 4Å; L67-P208 HydrophobicContact CD2-CG 4.32Å; A173-P208 WeakPolarHBondContact O-CG 3.5Å; N175-P208 HydrophobicContact CB-CG 4.5Å; V206-P208 VanDerWaalsContact O-CD 3.28Å; V206-P208 WeakPolarHBondContact O-CD 3.2Å; P208-K210 PolarHBondContact O-N 3.31Å
209	G	91.2	Very high	93.8	Very high	85 Å²	85	42.4 Å²	42.4	88%	0.876	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.9	2	178.6	0	0	0	0	0	116	C207	C207-G209 PolarHBondContact O-N 3.43Å
210	K	90.5	Very high	93.6	Very high	87 Å²	87	42.5 Å²	42.5	38%	0.378	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	-31	-179	-61.5	-71.6	-174.9	171.7	0	113.6	G181 V184 C207 P208	G181-K210 PolarHBondContact O-NZ 2.9Å; V184-K210 HydrophobicContact CB-CB 4.33Å; V184-K210 HydrophobicContact CG1-CB 4.23Å; C207-K210 HydrophobicContact CB-CB 4.03Å; C207-K210 HydrophobicContact CB-CG 3.77Å; C207-K210 WeakPolarHBondContact O-CB 3.23Å; C207-K210 PolarHBondContact O-N 3.06Å; P208-K210 PolarHBondContact O-N 3.31Å
211	M	90.8	Very high	93.4	Very high	20 Å²	20	42.5 Å²	42.5	10%	0.099	22%	0.216	C	C	.	.			trans	-88.5	117.1	-178.7	-169	170.4	-67.1	0	0	110.6	L73 A185 V206 A221 I224 F225	L73-M211 HydrophobicContact CD2-CB 4.44Å; L73-M211 HydrophobicContact CD2-CG 3.9Å; L73-M211 HydrophobicContact CD2-SD 3.47Å; L73-M211 WeakPolarHBondContact CD2-SD 3.29Å; A185-M211 HydrophobicContact CB-CE 4.21Å; V206-M211 HydrophobicContact CG1-CB 4.1Å; V206-M211 HydrophobicContact CG1-CE 4.08Å; V206-M211 HydrophobicContact CG1-SD 4.25Å; V206-M211 HydrophobicContact CG2-CE 4.38Å; M211-A221 HydrophobicContact CG-CB 4Å; M211-A221 HydrophobicContact SD-CB 4.01Å; M211-I224 HydrophobicContact CE-CB 4Å; M211-I224 HydrophobicContact CE-CD1 4.14Å; M211-I224 HydrophobicContact CE-CG2 3.44Å; M211-I224 VanDerWaalsContact CE-CG2 3.44Å; M211-F225 HydrophobicContact CE-CE2 4.48Å; M211-F225 HydrophobicContact SD-CD2 4.44Å; M211-F225 HydrophobicContact SD-CE2 3.81Å; M211-F225 HydrophobicContact SD-CZ 4.4Å
212	K	90.7	Very high	93.3	Very high	135 Å²	135	45.6 Å²	45.6	59%	0.587	23%	0.228	S	C	*	.			trans	-86.7	146.8	175.7	-64.8	177.5	-175.1	175.3	0	110.3	E217	K212-E217 HydrophobicContact CB-CB 3.55Å; K212-E217 HydrophobicContact CB-CG 3.77Å; K212-E217 HydrophobicContact CD-CB 4.4Å; K212-E217 HydrophobicContact CD-CG 3.68Å; K212-E217 HydrophobicContact CG-CG 4.42Å; K212-E217 IonicContact NZ-OE1 2.57Å; K212-E217 PolarHBondContact NZ-OE1 2.85Å
213	T	91.8	Very high	93.2	Very high	7 Å²	7	45.6 Å²	45.6	4%	0.043	23%	0.228	C	C	.	.			trans	-119.4	-8.2	-170.5	63.3	0	0	0	0	114.4	D69 K72 L73 F76 D218	D69-T213 HydrophobicContact CB-CG2 3.58Å; D69-T213 PolarHBondContact OD2-OG1 2.87Å; K72-T213 HydrophobicContact CB-CG2 4.37Å; L73-T213 HydrophobicContact CD2-CG2 3.68Å; L73-T213 HydrophobicContact CG-CG2 4.11Å; F76-T213 HydrophobicContact CE2-CG2 4.19Å; T213-D218 VanDerWaalsContact O-CB 3.3Å; T213-D218 WeakPolarHBondContact O-CB 3.13Å
214	E	92.5	Very high	93.2	Very high	115 Å²	115	45 Å²	45	54%	0.537	23%	0.226	S	C	.	.	S	Bend	trans	-89.6	153.5	179.7	-62.2	-56.5	160	0	0	112.4	K72 E217 D218	K72-E214 IonicContact NZ-OE1 3.9Å; K72-E214 PolarHBondContact NZ-OE1 3.18Å; K72-E214 IonicContact NZ-OE2 2.72Å; E214-E217 CarbonylContact O-C 3.49Å; E214-E217 VanDerWaalsContact O-CA 3.3Å; E214-E217 WeakPolarHBondContact O-CA 3.39Å; E214-E217 VanDerWaalsContact O-CB 3.24Å; E214-E217 WeakPolarHBondContact O-CB 3.11Å; E214-E217 PolarHBondContact O-N 2.85Å; E214-D218 PolarHBondContact O-N 2.79Å
215	Y	89.5	Confident	93.2	Very high	162 Å²	162	45.1 Å²	45.1	64%	0.635	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.3	135.9	175.7	178.6	-91.6	0	0	0	111.5	D218	Y215-D218 WeakPolarHBondContact CA-OD1 3.46Å
216	P	88.6	Confident	93.2	Very high	30 Å²	30	45 Å²	45	20%	0.195	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	cis	-91.9	2.5	3.1	34.3	-31.9	0	0	0	115	V19 D218 R219 V349	V19-P216 HydrophobicContact CB-CG 4.38Å; V19-P216 HydrophobicContact CG1-CB 4.2Å; V19-P216 HydrophobicContact CG1-CG 3.22Å; V19-P216 HydrophobicContact CG2-CG 4.31Å; P216-D218 PolarHBondContact O-N 3.18Å; P216-R219 WeakPolarHBondContact O-CB 3.36Å; P216-R219 PolarHBondContact O-N 2.74Å; P216-V349 HydrophobicContact CB-CG1 4.41Å
217	E	89.1	Confident	93.3	Very high	34 Å²	34	44.9 Å²	44.9	16%	0.159	23%	0.225	C	C	.	.	H	α-helix	trans	-67.4	-23.3	-179.8	-57.3	-81.7	-175.2	0	0	112.6	S21 K212 E214 R219 N220 A221	S21-E217 VanDerWaalsContact CB-CD 3.49Å; S21-E217 WeakPolarHBondContact CB-OE1 3.31Å; S21-E217 WeakPolarHBondContact CB-OE2 3.22Å; S21-E217 PolarHBondContact OG-OE1 2.91Å; S21-E217 PolarHBondContact OG-OE2 2.73Å; K212-E217 HydrophobicContact CB-CB 3.55Å; K212-E217 HydrophobicContact CB-CG 3.77Å; K212-E217 HydrophobicContact CD-CB 4.4Å; K212-E217 HydrophobicContact CD-CG 3.68Å; K212-E217 HydrophobicContact CG-CG 4.42Å; K212-E217 IonicContact NZ-OE1 2.57Å; K212-E217 PolarHBondContact NZ-OE1 2.85Å; E214-E217 CarbonylContact O-C 3.49Å; E214-E217 VanDerWaalsContact O-CA 3.3Å; E214-E217 WeakPolarHBondContact O-CA 3.39Å; E214-E217 VanDerWaalsContact O-CB 3.24Å; E214-E217 WeakPolarHBondContact O-CB 3.11Å; E214-E217 PolarHBondContact O-N 2.85Å; E217-R219 PolarHBondContact O-N 3.35Å; E217-N220 CarbonylContact O-C 3.47Å; E217-N220 WeakPolarHBondContact O-CA 3.34Å; E217-N220 WeakPolarHBondContact O-CB 3.46Å; E217-N220 PolarHBondContact O-N 2.87Å; E217-N220 PolarHBondContact OE2-ND2 2.91Å; E217-A221 PolarHBondContact O-N 2.84Å
218	D	92.1	Very high	93.4	Very high	29 Å²	29	44.8 Å²	44.8	16%	0.155	22%	0.224	C	C	.	.	H	α-helix	trans	-55.7	-32	171	79.9	-54.4	0	0	0	112.7	F76 T213 E214 Y215 P216 R222	F76-D218 HydrophobicContact CE1-CB 4.3Å; F76-D218 HydrophobicContact CZ-CB 3.8Å; T213-D218 VanDerWaalsContact O-CB 3.3Å; T213-D218 WeakPolarHBondContact O-CB 3.13Å; E214-D218 PolarHBondContact O-N 2.79Å; Y215-D218 WeakPolarHBondContact CA-OD1 3.46Å; P216-D218 PolarHBondContact O-N 3.18Å; D218-R222 WeakPolarHBondContact O-CG 3.42Å; D218-R222 PolarHBondContact O-N 3.17Å; D218-R222 PolarHBondContact O-NE 2.62Å; D218-R222 VanDerWaalsContact O-NE 3.07Å; D218-R222 IonicContact OD2-CZ 3.68Å; D218-R222 IonicContact OD2-NH2 2.7Å; D218-R222 PolarHBondContact OD2-NH2 3.01Å
219	R	92.7	Very high	93.6	Very high	114 Å²	114	42.4 Å²	42.4	43%	0.43	21%	0.209	S	C	.	.	H	α-helix	trans	-69.7	-48.6	172	-64.7	-178.2	179.1	-170.4	3	110.1	P216 E217 A221 R222 G223 Y351	P216-R219 WeakPolarHBondContact O-CB 3.36Å; P216-R219 PolarHBondContact O-N 2.74Å; E217-R219 PolarHBondContact O-N 3.35Å; R219-A221 VanDerWaalsContact C-N 3.31Å; R219-A221 PolarHBondContact O-N 3.44Å; R219-R222 WeakPolarHBondContact O-CB 3.14Å; R219-R222 PolarHBondContact O-N 2.93Å; R219-G223 PolarHBondContact O-N 2.94Å; R219-Y351 WeakPolarHBondContact O-CE1 3.14Å
220	N	91.6	Very high	93.9	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.011	17%	0.167	C	C	.	.	H	α-helix	trans	-58.4	-43.1	178.2	-173.5	24.8	0	0	0	111.4	S21 S23 E217 R222 G223 I224 I347 V349	S21-N220 PolarHBondContact OG-ND2 3.23Å; S23-N220 PolarHBondContact OG-ND2 2.89Å; E217-N220 CarbonylContact O-C 3.47Å; E217-N220 WeakPolarHBondContact O-CA 3.34Å; E217-N220 WeakPolarHBondContact O-CB 3.46Å; E217-N220 PolarHBondContact O-N 2.87Å; E217-N220 PolarHBondContact OE2-ND2 2.91Å; N220-R222 PolarHBondContact O-N 3.07Å; N220-G223 CarbonylContact O-C 3.58Å; N220-G223 WeakPolarHBondContact O-CA 3.13Å; N220-G223 PolarHBondContact O-N 3.05Å; N220-I224 WeakPolarHBondContact O-CD1 3.27Å; N220-I224 VanDerWaalsContact O-CG1 3.32Å; N220-I224 WeakPolarHBondContact O-CG1 3.26Å; N220-I224 PolarHBondContact O-N 3.46Å; N220-I347 WeakPolarHBondContact OD1-CB 3.36Å; N220-I347 VanDerWaalsContact OD1-CG2 3.31Å; N220-I347 WeakPolarHBondContact OD1-CG2 3.37Å; N220-I347 PolarHBondContact OD1-O 2.88Å; N220-V349 HydrophobicContact CB-CG1 4.27Å
221	A	94.3	Very high	94.3	Very high	1 Å²	1	34.2 Å²	34.2	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-58	-42.7	175.2	0	0	0	0	0	113.2	F76 M211 E217 R219 G223 I224 F225	F76-A221 HydrophobicContact CD2-CB 3.53Å; F76-A221 HydrophobicContact CE2-CB 3.77Å; F76-A221 HydrophobicContact CG-CB 4.32Å; M211-A221 HydrophobicContact CG-CB 4Å; M211-A221 HydrophobicContact SD-CB 4.01Å; E217-A221 PolarHBondContact O-N 2.84Å; R219-A221 VanDerWaalsContact C-N 3.31Å; R219-A221 PolarHBondContact O-N 3.44Å; A221-G223 VanDerWaalsContact C-N 3.35Å; A221-I224 PolarHBondContact O-N 3.12Å; A221-F225 WeakPolarHBondContact O-CD2 3.46Å; A221-F225 PolarHBondContact O-N 3.32Å; A221-F225 VanDerWaalsContact O-N 3.09Å
222	R	96	Very high	94.6	Very high	64 Å²	64	33.3 Å²	33.3	24%	0.242	14%	0.144	C	C	.	.	H	α-helix	trans	-62.3	-41.7	172.8	-73.2	177.4	-83.9	175.7	-10.4	112.2	F76 Y79 D218 R219 N220 I224 F225 L226	F76-R222 HydrophobicContact CB-CG 3.94Å; F76-R222 HydrophobicContact CD1-CG 3.58Å; F76-R222 HydrophobicContact CE1-CG 4.34Å; F76-R222 HydrophobicContact CG-CG 3.92Å; Y79-R222 HydrophobicContact CD1-CB 3.91Å; Y79-R222 HydrophobicContact CD1-CG 3.98Å; Y79-R222 HydrophobicContact CE1-CB 4.04Å; Y79-R222 HydrophobicContact CE1-CG 4.46Å; Y79-R222 HydrophobicContact CG-CG 4.48Å; D218-R222 WeakPolarHBondContact O-CG 3.42Å; D218-R222 PolarHBondContact O-N 3.17Å; D218-R222 PolarHBondContact O-NE 2.62Å; D218-R222 VanDerWaalsContact O-NE 3.07Å; D218-R222 IonicContact OD2-CZ 3.68Å; D218-R222 IonicContact OD2-NH2 2.7Å; D218-R222 PolarHBondContact OD2-NH2 3.01Å; R219-R222 WeakPolarHBondContact O-CB 3.14Å; R219-R222 PolarHBondContact O-N 2.93Å; N220-R222 PolarHBondContact O-N 3.07Å; R222-I224 VanDerWaalsContact C-N 3.34Å; R222-F225 PolarHBondContact O-N 3.43Å; R222-L226 PolarHBondContact O-N 3.15Å; R222-L226 VanDerWaalsContact O-N 3.1Å
223	G	96.7	Very high	95	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-61.5	-40.9	173.8	0	0	0	0	0	112.5	R219 N220 A221 L226 H227 I342	R219-G223 PolarHBondContact O-N 2.94Å; N220-G223 CarbonylContact O-C 3.58Å; N220-G223 WeakPolarHBondContact O-CA 3.13Å; N220-G223 PolarHBondContact O-N 3.05Å; A221-G223 VanDerWaalsContact C-N 3.35Å; G223-L226 WeakPolarHBondContact O-CB 3.2Å; G223-L226 PolarHBondContact O-N 3.5Å; G223-H227 WeakPolarHBondContact O-CB 3.38Å; G223-H227 PolarHBondContact O-N 3.44Å; G223-I342 VanDerWaalsContact O-CD1 3.25Å; G223-I342 WeakPolarHBondContact O-CD1 3.46Å
224	I	96.2	Very high	95.2	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.015	11%	0.114	C	C	.	.	H	α-helix	trans	-62.1	-48.8	177.3	-67	153.2	0	0	0	110.2	V184 A185 M211 N220 A221 R222 L226 H227 E228 I347	V184-I224 HydrophobicContact CB-CD1 4.36Å; V184-I224 HydrophobicContact CG2-CD1 3.53Å; V184-I224 HydrophobicContact CG2-CG1 3.93Å; V184-I224 HydrophobicContact CG2-CG2 4.03Å; A185-I224 HydrophobicContact CB-CG2 3.73Å; M211-I224 HydrophobicContact CE-CB 4Å; M211-I224 HydrophobicContact CE-CD1 4.14Å; M211-I224 HydrophobicContact CE-CG2 3.44Å; M211-I224 VanDerWaalsContact CE-CG2 3.44Å; N220-I224 WeakPolarHBondContact O-CD1 3.27Å; N220-I224 VanDerWaalsContact O-CG1 3.32Å; N220-I224 WeakPolarHBondContact O-CG1 3.26Å; N220-I224 PolarHBondContact O-N 3.46Å; A221-I224 PolarHBondContact O-N 3.12Å; R222-I224 VanDerWaalsContact C-N 3.34Å; I224-L226 VanDerWaalsContact C-N 3.3Å; I224-L226 PolarHBondContact O-N 3.25Å; I224-H227 WeakPolarHBondContact O-CB 3.28Å; I224-H227 PolarHBondContact O-N 3.17Å; I224-H227 VanDerWaalsContact O-N 3.13Å; I224-E228 HydrophobicContact CG2-CG 3.92Å; I224-E228 WeakPolarHBondContact O-CB 3.36Å; I224-E228 VanDerWaalsContact O-CG 3.26Å; I224-E228 WeakPolarHBondContact O-CG 3.28Å; I224-E228 PolarHBondContact O-N 2.94Å; I224-I347 HydrophobicContact CG1-CB 4.15Å; I224-I347 HydrophobicContact CG1-CG1 4.1Å; I224-I347 HydrophobicContact CG1-CG2 4.26Å
225	F	97.9	Very high	95.5	Very high	2 Å²	2	21 Å²	21	1%	0.009	9%	0.089	C	C	.	.	H	α-helix	trans	-60.9	-38.1	176.2	-80.1	-72.7	0	0	0	113	F64 L73 F76 A77 A80 V171 V204 V206 M211 A221 R222 H227 I229	F64-F225 HydrophobicContact CE2-CZ 4.37Å; L73-F225 HydrophobicContact CB-CE2 4.49Å; L73-F225 HydrophobicContact CB-CZ 4.49Å; L73-F225 HydrophobicContact CD2-CE2 4.41Å; L73-F225 WeakPolarHBondContact O-CE2 3.45Å; F76-F225 HydrophobicContact CB-CD2 3.67Å; F76-F225 HydrophobicContact CB-CE2 3.89Å; A77-F225 HydrophobicContact CB-CD1 3.72Å; A77-F225 HydrophobicContact CB-CD2 4.41Å; A77-F225 HydrophobicContact CB-CE1 3.64Å; A77-F225 HydrophobicContact CB-CE2 4.33Å; A77-F225 HydrophobicContact CB-CG 4.12Å; A77-F225 HydrophobicContact CB-CZ 3.96Å; A80-F225 HydrophobicContact CB-CB 3.57Å; V171-F225 HydrophobicContact CG1-CE1 4.25Å; V204-F225 HydrophobicContact CG1-CD1 4.28Å; V204-F225 HydrophobicContact CG1-CE1 4.23Å; V206-F225 HydrophobicContact CG2-CE1 3.97Å; V206-F225 HydrophobicContact CG2-CZ 3.74Å; M211-F225 HydrophobicContact CE-CE2 4.48Å; M211-F225 HydrophobicContact SD-CD2 4.44Å; M211-F225 HydrophobicContact SD-CE2 3.81Å; M211-F225 HydrophobicContact SD-CZ 4.4Å; A221-F225 WeakPolarHBondContact O-CD2 3.46Å; A221-F225 PolarHBondContact O-N 3.32Å; A221-F225 VanDerWaalsContact O-N 3.09Å; R222-F225 PolarHBondContact O-N 3.43Å; F225-H227 VanDerWaalsContact C-N 3.35Å; F225-H227 PolarHBondContact O-N 2.95Å; F225-I229 VanDerWaalsContact O-CB 3.32Å; F225-I229 WeakPolarHBondContact O-CB 3.25Å; F225-I229 WeakPolarHBondContact O-CD1 3.02Å; F225-I229 WeakPolarHBondContact O-CG1 3.26Å; F225-I229 PolarHBondContact O-N 3.02Å
226	L	98.4	Very high	95.8	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-59.7	-46	173.6	-79.1	168.8	0	0	0	111.8	Y79 A80 F83 W84 R222 G223 I224 G230 I342 Y351 V353 M375	Y79-L226 HydrophobicContact CE1-CD1 3.9Å; Y79-L226 HydrophobicContact CE1-CG 4.4Å; A80-L226 HydrophobicContact CB-CB 4.45Å; A80-L226 HydrophobicContact CB-CD2 3.91Å; A80-L226 HydrophobicContact CB-CG 3.85Å; F83-L226 HydrophobicContact CB-CD2 3.69Å; F83-L226 HydrophobicContact CD1-CD2 3.39Å; F83-L226 HydrophobicContact CD2-CD2 4.47Å; F83-L226 HydrophobicContact CE1-CD2 4.2Å; F83-L226 HydrophobicContact CG-CD2 3.58Å; W84-L226 WeakPolarHBondContact CZ2-O 3.37Å; W84-L226 PolarHBondContact NE1-O 3.09Å; R222-L226 PolarHBondContact O-N 3.15Å; R222-L226 VanDerWaalsContact O-N 3.1Å; G223-L226 WeakPolarHBondContact O-CB 3.2Å; G223-L226 PolarHBondContact O-N 3.5Å; I224-L226 VanDerWaalsContact C-N 3.3Å; I224-L226 PolarHBondContact O-N 3.25Å; L226-G230 PolarHBondContact O-N 2.94Å; L226-I342 HydrophobicContact CB-CD1 3.95Å; L226-I342 HydrophobicContact CB-CG1 3.97Å; L226-Y351 HydrophobicContact CD1-CD2 4.25Å; L226-Y351 HydrophobicContact CD1-CE2 3.41Å; L226-Y351 VanDerWaalsContact CD1-CE2 3.41Å; L226-V353 HydrophobicContact CD1-CG2 4.16Å; L226-M375 HydrophobicContact CD1-CE 4.26Å
227	H	97.9	Very high	96.1	Very high	0 Å²	0	13 Å²	13	0%	0	6%	0.057	C	C	.	.	H	α-helix	trans	-62.6	-52.3	178.4	174.5	94	0	0	0	112.4	C25 G223 I224 F225 I229 G230 H231 H332 I342 A344 I347	C25-H227 VanDerWaalsContact CB-CD2 3.46Å; C25-H227 WeakPolarHBondContact CB-CD2 3.15Å; C25-H227 WeakPolarHBondContact CB-NE2 3.34Å; C25-H227 VanDerWaalsContact SG-CD2 3.52Å; G223-H227 WeakPolarHBondContact O-CB 3.38Å; G223-H227 PolarHBondContact O-N 3.44Å; I224-H227 WeakPolarHBondContact O-CB 3.28Å; I224-H227 PolarHBondContact O-N 3.17Å; I224-H227 VanDerWaalsContact O-N 3.13Å; F225-H227 VanDerWaalsContact C-N 3.35Å; F225-H227 PolarHBondContact O-N 2.95Å; H227-I229 PolarHBondContact O-N 3.44Å; H227-G230 CarbonylContact O-C 3.55Å; H227-G230 VanDerWaalsContact O-CA 3.31Å; H227-G230 WeakPolarHBondContact O-CA 3.47Å; H227-G230 PolarHBondContact O-N 3.26Å; H227-H231 AromaticContact CD2-CD2 3.58Å; H227-H231 AromaticContact CD2-NE2 3.55Å; H227-H231 AromaticContact CE1-NE2 3.33Å; H227-H231 PolarHBondContact CE1-NE2 3.01Å; H227-H231 VanDerWaalsContact CE1-NE2 3.33Å; H227-H231 AromaticContact NE2-CD2 3.49Å; H227-H231 PolarHBondContact NE2-CD2 2.85Å; H227-H231 AromaticContact NE2-NE2 2.95Å; H227-H231 PolarHBondContact NE2-NE2 3.23Å; H227-H231 PolarHBondContact O-N 3.44Å; H227-H332 AromaticContact CE1-CD2 3.49Å; H227-H332 PolarHBondContact CE1-CD2 2.97Å; H227-H332 VanDerWaalsContact CE1-CD2 3.49Å; H227-H332 AromaticContact CE1-NE2 3.64Å; H227-H332 AromaticContact NE2-CD2 3.88Å; H227-H332 AromaticContact NE2-NE2 3.54Å; H227-I342 HydrophobicContact CB-CD1 4.37Å; H227-I342 HydrophobicContact CB-CG1 4.32Å; H227-I342 PolarHBondContact ND1-O 2.72Å; H227-A344 PolarHBondContact CE1-O 2.95Å; H227-I347 HydrophobicContact CB-CD1 3.77Å; H227-I347 HydrophobicContact CB-CG1 4.31Å
228	E	97.9	Very high	96.3	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-65.8	-38.9	-176.6	-63.4	-58.9	170.7	0	0	111.7	C25 A185 H186 A187 V204 I224 G230 H231 A232	C25-E228 WeakPolarHBondContact CB-OE1 3.37Å; C25-E228 PolarHBondContact SG-OE1 2.91Å; A185-E228 VanDerWaalsContact C-OE1 3.25Å; A185-E228 HydrophobicContact CB-CG 3.81Å; A185-E228 WeakPolarHBondContact CB-OE1 3.32Å; H186-E228 VanDerWaalsContact CA-OE2 3.31Å; H186-E228 WeakPolarHBondContact CA-OE2 3.25Å; A187-E228 HydrophobicContact CB-CB 3.76Å; A187-E228 HydrophobicContact CB-CG 4.5Å; A187-E228 WeakPolarHBondContact CB-O 3.22Å; A187-E228 WeakPolarHBondContact CB-OE2 3.32Å; A187-E228 PolarHBondContact N-OE2 3.48Å; V204-E228 HydrophobicContact CB-CB 4.44Å; V204-E228 HydrophobicContact CG1-CB 3.82Å; V204-E228 HydrophobicContact CG1-CG 4.3Å; V204-E228 HydrophobicContact CG2-CB 3.84Å; I224-E228 HydrophobicContact CG2-CG 3.92Å; I224-E228 WeakPolarHBondContact O-CB 3.36Å; I224-E228 VanDerWaalsContact O-CG 3.26Å; I224-E228 WeakPolarHBondContact O-CG 3.28Å; I224-E228 PolarHBondContact O-N 2.94Å; E228-G230 VanDerWaalsContact C-N 3.27Å; E228-G230 PolarHBondContact O-N 3.15Å; E228-H231 WeakPolarHBondContact O-CB 3.2Å; E228-H231 PolarHBondContact O-N 3.44Å; E228-H231 IonicContact OE2-CD2 3.33Å; E228-A232 PolarHBondContact O-N 3.49Å
229	I	98.7	Very high	96.5	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.005	5%	0.048	C	C	.	.	H	α-helix	trans	-66.2	-33.5	172	-64.3	170.7	0	0	0	110.5	F56 A80 I81 W84 L169 V204 F225 H227 H231 A232 L233	F56-I229 HydrophobicContact CE1-CG2 3.94Å; F56-I229 HydrophobicContact CZ-CG2 3.56Å; A80-I229 HydrophobicContact CB-CD1 3.79Å; I81-I229 HydrophobicContact CG1-CD1 3.78Å; W84-I229 HydrophobicContact CG-CG2 4.02Å; L169-I229 HydrophobicContact CD2-CD1 3.89Å; L169-I229 HydrophobicContact CD2-CG1 3.88Å; V204-I229 HydrophobicContact CG2-CG1 4.07Å; F225-I229 VanDerWaalsContact O-CB 3.32Å; F225-I229 WeakPolarHBondContact O-CB 3.25Å; F225-I229 WeakPolarHBondContact O-CD1 3.02Å; F225-I229 WeakPolarHBondContact O-CG1 3.26Å; F225-I229 PolarHBondContact O-N 3.02Å; H227-I229 PolarHBondContact O-N 3.44Å; I229-H231 PolarHBondContact O-N 2.8Å; I229-A232 PolarHBondContact O-N 3.03Å; I229-L233 HydrophobicContact CG2-CD1 3.87Å; I229-L233 HydrophobicContact CG2-CG 4.13Å; I229-L233 WeakPolarHBondContact O-CB 3.49Å; I229-L233 VanDerWaalsContact O-CG 3.26Å; I229-L233 WeakPolarHBondContact O-CG 3.24Å; I229-L233 PolarHBondContact O-N 2.82Å
230	G	98.6	Very high	96.7	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.028	C	C	.	.	H	α-helix	trans	-58.8	-43.7	172.1	0	0	0	0	0	112.9	L226 H227 E228 L233 G234 F235	L226-G230 PolarHBondContact O-N 2.94Å; H227-G230 CarbonylContact O-C 3.55Å; H227-G230 VanDerWaalsContact O-CA 3.31Å; H227-G230 WeakPolarHBondContact O-CA 3.47Å; H227-G230 PolarHBondContact O-N 3.26Å; E228-G230 VanDerWaalsContact C-N 3.27Å; E228-G230 PolarHBondContact O-N 3.15Å; G230-L233 PolarHBondContact O-N 2.7Å; G230-G234 PolarHBondContact O-N 3.06Å; G230-F235 WeakPolarHBondContact O-CB 3.28Å; G230-F235 PolarHBondContact O-N 2.83Å
231	H	97.7	Very high	97	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-62.1	-47.4	171.1	-72.7	-50.2	0	0	0	112.2	P28 A187 H227 E228 I229 L233 G234 F235 S331 H332 M343	P28-H231 HydrophobicContact CG-CB 3.99Å; A187-H231 HydrophobicContact CB-CB 4.14Å; H227-H231 AromaticContact CD2-CD2 3.58Å; H227-H231 AromaticContact CD2-NE2 3.55Å; H227-H231 AromaticContact CE1-NE2 3.33Å; H227-H231 PolarHBondContact CE1-NE2 3.01Å; H227-H231 VanDerWaalsContact CE1-NE2 3.33Å; H227-H231 AromaticContact NE2-CD2 3.49Å; H227-H231 PolarHBondContact NE2-CD2 2.85Å; H227-H231 AromaticContact NE2-NE2 2.95Å; H227-H231 PolarHBondContact NE2-NE2 3.23Å; H227-H231 PolarHBondContact O-N 3.44Å; E228-H231 WeakPolarHBondContact O-CB 3.2Å; E228-H231 PolarHBondContact O-N 3.44Å; E228-H231 IonicContact OE2-CD2 3.33Å; I229-H231 PolarHBondContact O-N 2.8Å; H231-L233 VanDerWaalsContact C-N 3.27Å; H231-L233 PolarHBondContact O-N 2.96Å; H231-G234 WeakPolarHBondContact O-CA 3.39Å; H231-G234 PolarHBondContact O-N 3.48Å; H231-F235 PolarHBondContact ND1-O 3.2Å; H231-S331 PolarHBondContact CE1-O 3.33Å; H231-H332 AromaticContact CE1-CD2 3.44Å; H231-H332 PolarHBondContact CE1-CD2 3.1Å; H231-H332 VanDerWaalsContact CE1-CD2 3.44Å; H231-H332 AromaticContact CE1-NE2 3.48Å; H231-H332 PolarHBondContact CE1-NE2 2.82Å; H231-H332 AromaticContact NE2-CD2 3.44Å; H231-H332 PolarHBondContact NE2-CD2 3.48Å; H231-H332 AromaticContact NE2-NE2 3.15Å; H231-H332 PolarHBondContact NE2-NE2 3.33Å; H231-H332 VanDerWaalsContact NE2-NE2 3.15Å; H231-M343 WeakPolarHBondContact CE1-CE 3.38Å
232	A	97.9	Very high	97.1	Very high	0 Å²	0	5.4 Å²	5.4	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-58.6	-40.3	179.2	0	0	0	0	0	111.6	Y167 L169 S189 E228 I229 G234	Y167-A232 VanDerWaalsContact OH-CB 3.29Å; Y167-A232 WeakPolarHBondContact OH-CB 3.4Å; Y167-A232 PolarHBondContact OH-O 3.07Å; L169-A232 HydrophobicContact CD1-CB 4.18Å; S189-A232 PolarHBondContact OG-O 2.69Å; E228-A232 PolarHBondContact O-N 3.49Å; I229-A232 PolarHBondContact O-N 3.03Å; A232-G234 PolarHBondContact O-N 3.18Å
233	L	98.5	Very high	97.2	Very high	0 Å²	0	2.3 Å²	2.3	0%	0	2%	0.016	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-9.7	176.5	-73	169	0	0	0	114.2	L54 F56 W84 L88 Y167 I229 G230 H231 F361	L54-L233 HydrophobicContact CD2-CD2 3.89Å; F56-L233 HydrophobicContact CE1-CD2 4.27Å; F56-L233 HydrophobicContact CZ-CD1 4.08Å; F56-L233 HydrophobicContact CZ-CD2 3.83Å; F56-L233 HydrophobicContact CZ-CG 4.12Å; W84-L233 HydrophobicContact CB-CD1 4.09Å; W84-L233 HydrophobicContact CD2-CD1 3.87Å; W84-L233 HydrophobicContact CE3-CD1 4.16Å; W84-L233 HydrophobicContact CG-CD1 3.84Å; L88-L233 HydrophobicContact CD1-CD1 3.77Å; Y167-L233 HydrophobicContact CD2-CD2 3.72Å; Y167-L233 HydrophobicContact CE2-CD2 3.91Å; Y167-L233 HydrophobicContact CG-CD2 4.21Å; I229-L233 HydrophobicContact CG2-CD1 3.87Å; I229-L233 HydrophobicContact CG2-CG 4.13Å; I229-L233 WeakPolarHBondContact O-CB 3.49Å; I229-L233 VanDerWaalsContact O-CG 3.26Å; I229-L233 WeakPolarHBondContact O-CG 3.24Å; I229-L233 PolarHBondContact O-N 2.82Å; G230-L233 PolarHBondContact O-N 2.7Å; H231-L233 VanDerWaalsContact C-N 3.27Å; H231-L233 PolarHBondContact O-N 2.96Å; L233-F361 HydrophobicContact CB-CD1 4.5Å; L233-F361 HydrophobicContact CB-CE1 3.59Å; L233-F361 HydrophobicContact CB-CZ 4.26Å; L233-F361 HydrophobicContact CD1-CE1 4.28Å
234	G	97.3	Very high	97.3	Very high	0 Å²	0	4.4 Å²	4.4	0%	0	2%	0.023	C	C	.	.	T	Hydrogen-bonded Turn	trans	123.9	5.9	168.7	0	0	0	0	0	116	G230 H231 A232 S236 S239 F360	G230-G234 PolarHBondContact O-N 3.06Å; H231-G234 WeakPolarHBondContact O-CA 3.39Å; H231-G234 PolarHBondContact O-N 3.48Å; A232-G234 PolarHBondContact O-N 3.18Å; G234-S236 PolarHBondContact O-N 2.91Å; G234-S239 VanDerWaalsContact O-CB 3.25Å; G234-S239 WeakPolarHBondContact O-CB 3.24Å; G234-F360 VanDerWaalsContact O-CZ 3.27Å; G234-F360 WeakPolarHBondContact O-CZ 3.38Å
235	F	97.7	Very high	97.4	Very high	0 Å²	0	7.4 Å²	7.4	0%	0	4%	0.036	C	C	.	.			trans	-70.1	71.9	169.5	-163	-77.4	0	0	0	109.7	G230 H231 F240 L320 S331 W333 M343 F360	G230-F235 WeakPolarHBondContact O-CB 3.28Å; G230-F235 PolarHBondContact O-N 2.83Å; H231-F235 PolarHBondContact ND1-O 3.2Å; F235-F240 HydrophobicContact CD1-CZ 4.3Å; F235-F240 HydrophobicContact CE1-CZ 4.3Å; F235-L320 HydrophobicContact CZ-CD2 4.37Å; F235-S331 WeakPolarHBondContact CD1-O 3.28Å; F235-S331 WeakPolarHBondContact CE1-O 3.45Å; F235-W333 HydrophobicContact CE2-CD2 4.35Å; F235-W333 AromaticContact CE2-CE2 3.54Å; F235-W333 AromaticContact CE2-CH2 3.96Å; F235-W333 HydrophobicContact CE2-CH2 3.96Å; F235-W333 AromaticContact CE2-CZ2 3.33Å; F235-W333 HydrophobicContact CE2-CZ2 3.33Å; F235-W333 AromaticContact CE2-NE1 3.85Å; F235-W333 AromaticContact CZ-CD2 3.7Å; F235-W333 HydrophobicContact CZ-CD2 3.7Å; F235-W333 AromaticContact CZ-CE2 3.36Å; F235-W333 HydrophobicContact CZ-CE3 4.16Å; F235-W333 HydrophobicContact CZ-CG 4.23Å; F235-W333 AromaticContact CZ-CH2 3.97Å; F235-W333 HydrophobicContact CZ-CH2 3.97Å; F235-W333 AromaticContact CZ-CZ2 3.52Å; F235-W333 HydrophobicContact CZ-CZ2 3.52Å; F235-W333 HydrophobicContact CZ-CZ3 4.29Å; F235-W333 AromaticContact CZ-NE1 3.72Å; F235-M343 HydrophobicContact CB-CE 3.84Å; F235-M343 HydrophobicContact CD1-CB 4.15Å; F235-M343 HydrophobicContact CD1-CE 3.56Å; F235-M343 HydrophobicContact CD1-CG 4.24Å; F235-M343 HydrophobicContact CD2-CB 4.49Å; F235-M343 HydrophobicContact CD2-CG 4.07Å; F235-M343 HydrophobicContact CE1-CB 3.92Å; F235-M343 HydrophobicContact CE1-CE 4.35Å; F235-M343 HydrophobicContact CE1-CG 4.42Å; F235-M343 HydrophobicContact CE2-CB 4.3Å; F235-M343 HydrophobicContact CE2-CG 4.28Å; F235-M343 HydrophobicContact CG-CB 4.47Å; F235-M343 HydrophobicContact CG-CE 3.76Å; F235-M343 HydrophobicContact CG-CG 4.1Å; F235-M343 HydrophobicContact CG-SD 4.49Å; F235-M343 HydrophobicContact CZ-CB 4.02Å; F235-M343 HydrophobicContact CZ-CG 4.46Å; F235-F360 HydrophobicContact CB-CD1 4.23Å; F235-F360 HydrophobicContact CB-CE1 3.83Å; F235-F360 HydrophobicContact CB-CZ 4.28Å; F235-F360 HydrophobicContact CD2-CB 4.07Å; F235-F360 AromaticContact CD2-CD1 3.42Å; F235-F360 HydrophobicContact CD2-CD1 3.42Å; F235-F360 VanDerWaalsContact CD2-CD1 3.42Å; F235-F360 AromaticContact CD2-CD2 3.93Å; F235-F360 HydrophobicContact CD2-CD2 3.93Å; F235-F360 AromaticContact CD2-CE1 3.81Å; F235-F360 HydrophobicContact CD2-CE1 3.81Å; F235-F360 HydrophobicContact CD2-CE2 4.29Å; F235-F360 AromaticContact CD2-CG 3.49Å; F235-F360 HydrophobicContact CD2-CG 3.49Å; F235-F360 VanDerWaalsContact CD2-CG 3.49Å; F235-F360 HydrophobicContact CD2-CZ 4.24Å; F235-F360 HydrophobicContact CE2-CB 4Å; F235-F360 HydrophobicContact CE2-CD1 4.2Å; F235-F360 HydrophobicContact CE2-CD2 4.07Å; F235-F360 AromaticContact CE2-CG 3.79Å; F235-F360 HydrophobicContact CE2-CG 3.79Å; F235-F360 HydrophobicContact CG-CD1 4.27Å; F235-F360 HydrophobicContact CG-CE1 4.24Å
236	S	95.4	Very high	97.2	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.007	6%	0.061	C	C	.	.	S	Bend	trans	-151.6	144.5	-177.6	178.7	0	0	0	0	110.2	G234 S238 S239 F240 S331	G234-S236 PolarHBondContact O-N 2.91Å; S236-S238 PolarHBondContact O-N 2.77Å; S236-S238 VanDerWaalsContact O-N 3.12Å; S236-S238 PolarHBondContact OG-OG 2.77Å; S236-S239 WeakPolarHBondContact O-CA 3.43Å; S236-S239 PolarHBondContact O-N 2.74Å; S236-F240 VanDerWaalsContact C-CE1 3.49Å; S236-F240 WeakPolarHBondContact O-CD1 3.24Å; S236-F240 VanDerWaalsContact O-CE1 3.26Å; S236-F240 WeakPolarHBondContact O-CE1 3.47Å; S236-F240 VanDerWaalsContact O-CG 3.28Å; S236-F240 WeakPolarHBondContact O-CG 3.48Å; S236-F240 PolarHBondContact O-N 2.9Å; S236-S331 PolarHBondContact OG-OG 2.91Å
237	S	94.8	Very high	97	Very high	21 Å²	21	16 Å²	16	15%	0.147	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-30.6	176.9	63.1	0	0	0	0	113.2	S239 P241 I329 S331	S237-S239 VanDerWaalsContact C-N 3.27Å; S237-S239 PolarHBondContact O-N 2.56Å; S237-P241 WeakPolarHBondContact O-CD 3.41Å; S237-I329 VanDerWaalsContact CB-O 3.3Å; S237-I329 WeakPolarHBondContact CB-O 3.45Å; S237-S331 PolarHBondContact N-OG 2.02Å; S237-S331 PolarHBondContact OG-OG 3.43Å
238	S	93.7	Very high	96.7	Very high	20 Å²	20	16.7 Å²	16.7	14%	0.14	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-27.7	173.8	57.4	0	0	0	0	113.7	S236 F242	S236-S238 PolarHBondContact O-N 2.77Å; S236-S238 VanDerWaalsContact O-N 3.12Å; S236-S238 PolarHBondContact OG-OG 2.77Å; S238-F242 WeakPolarHBondContact O-CD2 3.44Å
239	S	96.3	Very high	96.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.1	-22.1	-174	-50.8	0	0	0	0	112.5	L33 G234 S236 S237 P241 F242	L33-S239 VanDerWaalsContact CD1-OG 3.29Å; L33-S239 WeakPolarHBondContact CD1-OG 3.44Å; G234-S239 VanDerWaalsContact O-CB 3.25Å; G234-S239 WeakPolarHBondContact O-CB 3.24Å; S236-S239 WeakPolarHBondContact O-CA 3.43Å; S236-S239 PolarHBondContact O-N 2.74Å; S237-S239 VanDerWaalsContact C-N 3.27Å; S237-S239 PolarHBondContact O-N 2.56Å; S239-P241 VanDerWaalsContact C-CD 3.46Å; S239-F242 WeakPolarHBondContact O-CA 3.43Å; S239-F242 WeakPolarHBondContact O-CB 3.23Å; S239-F242 PolarHBondContact O-N 3.26Å
240	F	97.4	Very high	96.6	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	13%	0.126	C	C	.	.	G	3₁₀ helix	trans	-57.9	-39.9	179.6	-55.6	-22.4	0	0	0	114.6	F235 S236 F242 M243 I276 F297 L320 I329 F360	F235-F240 HydrophobicContact CD1-CZ 4.3Å; F235-F240 HydrophobicContact CE1-CZ 4.3Å; S236-F240 VanDerWaalsContact C-CE1 3.49Å; S236-F240 WeakPolarHBondContact O-CD1 3.24Å; S236-F240 VanDerWaalsContact O-CE1 3.26Å; S236-F240 WeakPolarHBondContact O-CE1 3.47Å; S236-F240 VanDerWaalsContact O-CG 3.28Å; S236-F240 WeakPolarHBondContact O-CG 3.48Å; S236-F240 PolarHBondContact O-N 2.9Å; F240-F242 PolarHBondContact O-N 3.38Å; F240-F242 VanDerWaalsContact O-N 3.1Å; F240-M243 HydrophobicContact CB-SD 4.35Å; F240-M243 HydrophobicContact CD1-SD 4.42Å; F240-M243 WeakPolarHBondContact O-CB 3.36Å; F240-M243 WeakPolarHBondContact O-CG 3.46Å; F240-M243 PolarHBondContact O-N 2.96Å; F240-I276 HydrophobicContact CB-CD1 3.94Å; F240-I276 HydrophobicContact CD2-CD1 3.35Å; F240-I276 HydrophobicContact CE2-CD1 4.09Å; F240-I276 HydrophobicContact CG-CD1 3.9Å; F240-F297 HydrophobicContact CB-CZ 4.42Å; F240-F297 HydrophobicContact CD1-CE2 4.4Å; F240-F297 AromaticContact CD1-CZ 3.61Å; F240-F297 HydrophobicContact CD1-CZ 3.61Å; F240-F297 HydrophobicContact CD2-CE2 4.21Å; F240-F297 AromaticContact CD2-CZ 3.82Å; F240-F297 HydrophobicContact CD2-CZ 3.82Å; F240-F297 HydrophobicContact CE1-CE2 4.03Å; F240-F297 AromaticContact CE1-CZ 3.65Å; F240-F297 HydrophobicContact CE1-CZ 3.65Å; F240-F297 AromaticContact CE2-CE2 3.86Å; F240-F297 HydrophobicContact CE2-CE2 3.86Å; F240-F297 AromaticContact CE2-CZ 3.89Å; F240-F297 HydrophobicContact CE2-CZ 3.89Å; F240-F297 HydrophobicContact CG-CE1 4.46Å; F240-F297 HydrophobicContact CG-CE2 4.48Å; F240-F297 AromaticContact CG-CZ 3.7Å; F240-F297 HydrophobicContact CG-CZ 3.7Å; F240-F297 AromaticContact CZ-CE2 3.76Å; F240-F297 HydrophobicContact CZ-CE2 3.76Å; F240-F297 AromaticContact CZ-CZ 3.81Å; F240-F297 HydrophobicContact CZ-CZ 3.81Å; F240-L320 HydrophobicContact CE2-CD1 4.04Å; F240-I329 HydrophobicContact CD2-CG2 4.02Å; F240-I329 HydrophobicContact CE2-CG2 4.22Å; F240-F360 AromaticContact CD1-CE2 3.71Å; F240-F360 HydrophobicContact CD1-CE2 3.71Å; F240-F360 HydrophobicContact CD1-CZ 4.13Å; F240-F360 HydrophobicContact CE1-CD2 4.39Å; F240-F360 AromaticContact CE1-CE2 3.51Å; F240-F360 HydrophobicContact CE1-CE2 3.51Å; F240-F360 AromaticContact CE1-CZ 3.86Å; F240-F360 HydrophobicContact CE1-CZ 3.86Å
241	P	97.2	Very high	96.5	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-62.1	-17.6	173.7	-19.8	30.9	0	0	0	113.4	S237 S239 T252 R254 P260 Y269	S237-P241 WeakPolarHBondContact O-CD 3.41Å; S239-P241 VanDerWaalsContact C-CD 3.46Å; P241-T252 WeakPolarHBondContact O-CB 3.31Å; P241-T252 PolarHBondContact O-OG1 2.76Å; P241-R254 PolarHBondContact O-NH1 3.08Å; P241-R254 PolarHBondContact O-NH2 3.1Å; P241-P260 HydrophobicContact CB-CB 3.99Å; P241-P260 HydrophobicContact CB-CG 3.73Å; P241-Y269 VanDerWaalsContact CG-O 3.23Å; P241-Y269 WeakPolarHBondContact CG-O 3.11Å
242	F	97.7	Very high	96.6	Very high	1 Å²	1	22.2 Å²	22.2	0%	0.004	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-94.2	-0.8	-177.3	-68.6	-84.4	0	0	0	113.9	M192 D197 S238 S239 F240 K259 P260 Y269 W366	M192-F242 HydrophobicContact CE-CD1 3.59Å; M192-F242 HydrophobicContact CE-CD2 4.01Å; M192-F242 HydrophobicContact CE-CE1 3.6Å; M192-F242 HydrophobicContact CE-CE2 4.02Å; M192-F242 HydrophobicContact CE-CG 3.79Å; M192-F242 HydrophobicContact CE-CZ 3.82Å; M192-F242 HydrophobicContact SD-CB 3.89Å; M192-F242 HydrophobicContact SD-CD1 4Å; M192-F242 HydrophobicContact SD-CD2 4.03Å; M192-F242 HydrophobicContact SD-CG 3.7Å; D197-F242 HydrophobicContact CB-CB 3.85Å; D197-F242 HydrophobicContact CB-CD1 4.08Å; D197-F242 HydrophobicContact CB-CG 4.42Å; S238-F242 WeakPolarHBondContact O-CD2 3.44Å; S239-F242 WeakPolarHBondContact O-CA 3.43Å; S239-F242 WeakPolarHBondContact O-CB 3.23Å; S239-F242 PolarHBondContact O-N 3.26Å; F240-F242 PolarHBondContact O-N 3.38Å; F240-F242 VanDerWaalsContact O-N 3.1Å; F242-K259 HydrophobicContact CE1-CD 4.38Å; F242-K259 HydrophobicContact CZ-CD 4.47Å; F242-P260 HydrophobicContact CD1-CG 4.29Å; F242-P260 HydrophobicContact CD2-CG 4.38Å; F242-P260 VanDerWaalsContact CE1-CD 3.49Å; F242-P260 HydrophobicContact CE1-CG 3.82Å; F242-P260 HydrophobicContact CE2-CG 3.92Å; F242-P260 VanDerWaalsContact CZ-CD 3.44Å; F242-P260 HydrophobicContact CZ-CG 3.62Å; F242-Y269 HydrophobicContact CE2-CD2 4.04Å; F242-Y269 HydrophobicContact CZ-CD2 4.01Å; F242-Y269 HydrophobicContact CZ-CE2 4.23Å; F242-W366 HydrophobicContact CB-CZ2 4.35Å
243	M	98.4	Very high	96.6	Very high	0 Å²	0	25 Å²	25	0%	0	15%	0.147	C	C	.	.			trans	-62.3	151.4	176.9	-66.5	171.1	70.8	0	0	112.5	F240 R251 T275 F297 T299 F360 D363 S364 W366	F240-M243 HydrophobicContact CB-SD 4.35Å; F240-M243 HydrophobicContact CD1-SD 4.42Å; F240-M243 WeakPolarHBondContact O-CB 3.36Å; F240-M243 WeakPolarHBondContact O-CG 3.46Å; F240-M243 PolarHBondContact O-N 2.96Å; M243-R251 WeakPolarHBondContact O-CB 2.99Å; M243-R251 PolarHBondContact O-N 2.9Å; M243-T275 HydrophobicContact CE-CG2 4.31Å; M243-T275 HydrophobicContact SD-CG2 3.76Å; M243-F297 HydrophobicContact CE-CE1 3.94Å; M243-F297 HydrophobicContact SD-CE1 3.66Å; M243-F297 HydrophobicContact SD-CZ 4.16Å; M243-T299 HydrophobicContact CE-CG2 4.4Å; M243-F360 HydrophobicContact CE-CD2 4.34Å; M243-F360 HydrophobicContact CE-CE2 4.17Å; M243-F360 HydrophobicContact SD-CE2 3.99Å; M243-D363 HydrophobicContact CE-CB 4.35Å; M243-S364 VanDerWaalsContact CE-CA 3.45Å; M243-W366 HydrophobicContact CG-CH2 4.24Å; M243-W366 HydrophobicContact CG-CZ2 4.29Å
244	R	97.8	Very high	96.5	Very high	44 Å²	44	27.5 Å²	27.5	17%	0.166	16%	0.156	C	C	.	.	B	Isolated β-bridge	trans	-122.9	153.9	-176.2	-65	-174.3	169.7	-125	10.8	111.9	E195 T196 D197 G248 T249 R251 S364 G365	E195-R244 PolarHBondContact O-NH1 3.11Å; E195-R244 PolarHBondContact O-NH2 3.31Å; T196-R244 VanDerWaalsContact C-NE 3.31Å; T196-R244 WeakPolarHBondContact O-CD 3.27Å; T196-R244 PolarHBondContact O-NE 3.13Å; T196-R244 VanDerWaalsContact O-NE 3.08Å; D197-R244 IonicContact OD1-CZ 3.35Å; D197-R244 IonicContact OD1-NE 2.61Å; D197-R244 IonicContact OD1-NH2 2.85Å; D197-R244 PolarHBondContact OD1-NH2 3.36Å; D197-R244 IonicContact OD2-CZ 2.61Å; D197-R244 IonicContact OD2-NE 2.87Å; D197-R244 PolarHBondContact OD2-NE 3.21Å; D197-R244 IonicContact OD2-NH2 3.85Å; D197-R244 PolarHBondContact OD2-NH2 3.24Å; R244-G248 WeakPolarHBondContact CD-O 3.33Å; R244-G248 PolarHBondContact NH1-O 2.54Å; R244-T249 CarbonylContact C-O 3.57Å; R244-T249 VanDerWaalsContact CA-O 3.25Å; R244-T249 WeakPolarHBondContact CA-O 3.28Å; R244-T249 WeakPolarHBondContact CB-O 3.41Å; R244-R251 PolarHBondContact O-NE 3.11Å; R244-S364 PolarHBondContact N-O 3.5Å; R244-S364 CarbonylContact O-C 3.58Å; R244-G365 WeakPolarHBondContact O-CA 3.28Å
245	F	97.7	Very high	96.4	Very high	65 Å²	65	30.1 Å²	30.1	29%	0.285	17%	0.17	S	C	.	.			trans	-68.4	163.2	170.2	-74.9	-73.1	0	0	0	110.7	N247 G248 T249 R251 D274	F245-N247 VanDerWaalsContact CB-OD1 3.24Å; F245-N247 WeakPolarHBondContact CB-OD1 3.36Å; F245-N247 PolarHBondContact O-N 3.11Å; F245-N247 VanDerWaalsContact O-N 3.1Å; F245-G248 WeakPolarHBondContact O-CA 3.5Å; F245-G248 PolarHBondContact O-N 2.9Å; F245-T249 WeakPolarHBondContact CD2-OG1 3.24Å; F245-T249 PolarHBondContact N-O 2.83Å; F245-R251 HydrophobicContact CD1-CG 4.12Å; F245-R251 HydrophobicContact CD2-CB 4.44Å; F245-R251 HydrophobicContact CD2-CG 3.84Å; F245-R251 HydrophobicContact CE1-CG 4.18Å; F245-R251 VanDerWaalsContact CE1-NH1 3.34Å; F245-R251 HydrophobicContact CE2-CB 4.18Å; F245-R251 HydrophobicContact CE2-CG 3.94Å; F245-R251 HydrophobicContact CG-CG 3.96Å; F245-R251 HydrophobicContact CZ-CB 4.44Å; F245-R251 HydrophobicContact CZ-CG 4.09Å; F245-D274 VanDerWaalsContact CZ-OD2 3.31Å; F245-D274 WeakPolarHBondContact CZ-OD2 3.41Å
246	P	94.1	Very high	96.2	Very high	80 Å²	80	35.1 Å²	35.1	52%	0.519	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-28.7	179.5	-29.4	36.9	0	0	0	115.3	K91 G248	K91-P246 WeakPolarHBondContact CE-O 3.45Å; K91-P246 PolarHBondContact NZ-O 2.78Å; P246-G248 VanDerWaalsContact C-N 3.28Å
247	N	93.4	Very high	95.9	Very high	103 Å²	103	39.7 Å²	39.7	55%	0.551	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-9.1	175.1	65	-3.4	0	0	0	113.2	K92 F245 T249	K92-N247 PolarHBondContact NZ-O 3.31Å; F245-N247 VanDerWaalsContact CB-OD1 3.24Å; F245-N247 WeakPolarHBondContact CB-OD1 3.36Å; F245-N247 PolarHBondContact O-N 3.11Å; F245-N247 VanDerWaalsContact O-N 3.1Å; N247-T249 PolarHBondContact OD1-N 3.05Å; N247-T249 VanDerWaalsContact OD1-N 3.08Å; N247-T249 PolarHBondContact OD1-OG1 3.39Å
248	G	92.7	Very high	95.8	Very high	14 Å²	14	45.3 Å²	45.3	14%	0.144	26%	0.263	C	S	.	.	S	Bend	trans	94.3	2.1	179.3	0	0	0	0	0	115.5	R244 F245 P246	R244-G248 WeakPolarHBondContact CD-O 3.33Å; R244-G248 PolarHBondContact NH1-O 2.54Å; F245-G248 WeakPolarHBondContact O-CA 3.5Å; F245-G248 PolarHBondContact O-N 2.9Å; P246-G248 VanDerWaalsContact C-N 3.28Å
249	T	95.9	Very high	95.8	Very high	72 Å²	72	45.4 Å²	45.4	44%	0.442	26%	0.261	S	S	.	.			trans	-73.9	149	172.2	59.6	0	0	0	0	110.5	R244 F245 N247	R244-T249 CarbonylContact C-O 3.57Å; R244-T249 VanDerWaalsContact CA-O 3.25Å; R244-T249 WeakPolarHBondContact CA-O 3.28Å; R244-T249 WeakPolarHBondContact CB-O 3.41Å; F245-T249 WeakPolarHBondContact CD2-OG1 3.24Å; F245-T249 PolarHBondContact N-O 2.83Å; N247-T249 PolarHBondContact OD1-N 3.05Å; N247-T249 VanDerWaalsContact OD1-N 3.08Å; N247-T249 PolarHBondContact OD1-OG1 3.39Å
250	A	97.7	Very high	95.8	Very high	28 Å²	28	45.4 Å²	45.4	23%	0.231	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-62.8	136.9	177.6	0	0	0	0	0	111.1	T252 R254	A250-T252 WeakPolarHBondContact CB-O 3.01Å; A250-R254 HydrophobicContact CB-CG 4.01Å
251	R	97.9	Very high	95.7	Very high	17 Å²	17	49 Å²	49	6%	0.064	28%	0.28	C	S	.	.	S	Bend	trans	-73.1	-46.3	172.7	-69.2	178	176.5	-85.1	6.7	111.3	M243 R244 F245 S272 T275 D363	M243-R251 WeakPolarHBondContact O-CB 2.99Å; M243-R251 PolarHBondContact O-N 2.9Å; R244-R251 PolarHBondContact O-NE 3.11Å; F245-R251 HydrophobicContact CD1-CG 4.12Å; F245-R251 HydrophobicContact CD2-CB 4.44Å; F245-R251 HydrophobicContact CD2-CG 3.84Å; F245-R251 HydrophobicContact CE1-CG 4.18Å; F245-R251 VanDerWaalsContact CE1-NH1 3.34Å; F245-R251 HydrophobicContact CE2-CB 4.18Å; F245-R251 HydrophobicContact CE2-CG 3.94Å; F245-R251 HydrophobicContact CG-CG 3.96Å; F245-R251 HydrophobicContact CZ-CB 4.44Å; F245-R251 HydrophobicContact CZ-CG 4.09Å; R251-S272 PolarHBondContact O-OG 3.08Å; R251-S272 VanDerWaalsContact O-OG 3.14Å; R251-T275 WeakPolarHBondContact CB-OG1 3.28Å; R251-T275 WeakPolarHBondContact CD-OG1 3.36Å; R251-D363 PolarHBondContact NE-O 2.97Å; R251-D363 VanDerWaalsContact NE-O 3.11Å; R251-D363 PolarHBondContact NH2-O 3.07Å
252	T	98.2	Very high	95.6	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	30%	0.3	C	S	.	.	S	Bend	trans	-86.8	127.5	174.4	-54.4	0	0	0	0	109.5	P241 A250 R254 P260 Y262 P271 S272	P241-T252 WeakPolarHBondContact O-CB 3.31Å; P241-T252 PolarHBondContact O-OG1 2.76Å; A250-T252 WeakPolarHBondContact CB-O 3.01Å; T252-R254 PolarHBondContact O-NH1 2.96Å; T252-P260 HydrophobicContact CG2-CB 3.94Å; T252-Y262 HydrophobicContact CG2-CD2 3.77Å; T252-Y262 HydrophobicContact CG2-CE2 4.19Å; T252-P271 WeakPolarHBondContact OG1-CA 3.44Å; T252-S272 PolarHBondContact OG1-N 2.87Å; T252-S272 PolarHBondContact OG1-OG 2.83Å
253	P	97.8	Very high	95.4	Very high	59 Å²	59	59.3 Å²	59.3	38%	0.383	32%	0.322	S	S	.	.			trans	-54.9	149.5	177.8	-23.7	32.5	0	0	0	112.3	I261 Y262	P253-I261 HydrophobicContact CB-CD1 3.71Å; P253-I261 HydrophobicContact CB-CG1 4Å; P253-I261 HydrophobicContact CG-CD1 4.14Å; P253-I261 PolarHBondContact O-N 2.83Å; P253-I261 VanDerWaalsContact O-N 3.09Å; P253-Y262 HydrophobicContact CG-CE2 4.5Å
254	R	96.6	Very high	95.1	Very high	52 Å²	52	60 Å²	60	20%	0.196	33%	0.326	C	S	.	.	B	Isolated β-bridge	trans	-110.3	146.1	-176.2	-58.7	-59.6	-168.8	-132.5	-3.4	111.5	D197 P241 A250 T252 H258 K259	D197-R254 IonicContact OD2-CZ 3.5Å; D197-R254 IonicContact OD2-NE 3.28Å; D197-R254 IonicContact OD2-NH2 2.72Å; D197-R254 PolarHBondContact OD2-NH2 3.5Å; P241-R254 PolarHBondContact O-NH1 3.08Å; P241-R254 PolarHBondContact O-NH2 3.1Å; A250-R254 HydrophobicContact CB-CG 4.01Å; T252-R254 PolarHBondContact O-NH1 2.96Å; R254-H258 WeakPolarHBondContact CD-O 3.25Å; R254-K259 CarbonylContact C-O 3.58Å; R254-K259 VanDerWaalsContact CA-O 3.22Å; R254-K259 WeakPolarHBondContact CA-O 3.13Å
255	D	95.2	Very high	94.7	Very high	55 Å²	55	65.9 Å²	65.9	29%	0.294	36%	0.356	S	S	.	.			trans	-78.3	-179	168.3	65.5	26.8	0	0	0	111.7	T257 H258 K259 I261	D255-T257 PolarHBondContact O-N 2.79Å; D255-T257 VanDerWaalsContact O-N 3.14Å; D255-T257 VanDerWaalsContact OD1-C 3.31Å; D255-T257 VanDerWaalsContact OD1-CA 3.28Å; D255-T257 WeakPolarHBondContact OD1-CA 3.26Å; D255-T257 WeakPolarHBondContact OD1-CB 3.32Å; D255-T257 PolarHBondContact OD1-N 3.23Å; D255-T257 PolarHBondContact OD1-OG1 3.38Å; D255-T257 PolarHBondContact OD2-OG1 3.17Å; D255-H258 PolarHBondContact O-N 3.12Å; D255-H258 PolarHBondContact OD1-N 3.47Å; D255-K259 PolarHBondContact N-O 3.42Å; D255-K259 PolarHBondContact OD1-N 3.38Å; D255-I261 HydrophobicContact CB-CG2 4.14Å
256	A	93.7	Very high	94.3	Very high	105 Å²	105	69 Å²	69	87%	0.868	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-17.5	178.6	0	0	0	0	0	114.1
257	T	90.1	Very high	94.1	Very high	98 Å²	98	67.3 Å²	67.3	60%	0.601	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	12.9	175.5	70.1	0	0	0	0	112.7	D255 K259	D255-T257 PolarHBondContact O-N 2.79Å; D255-T257 VanDerWaalsContact O-N 3.14Å; D255-T257 VanDerWaalsContact OD1-C 3.31Å; D255-T257 VanDerWaalsContact OD1-CA 3.28Å; D255-T257 WeakPolarHBondContact OD1-CA 3.26Å; D255-T257 WeakPolarHBondContact OD1-CB 3.32Å; D255-T257 PolarHBondContact OD1-N 3.23Å; D255-T257 PolarHBondContact OD1-OG1 3.38Å; D255-T257 PolarHBondContact OD2-OG1 3.17Å; T257-K259 PolarHBondContact O-N 2.81Å
258	H	91.8	Very high	94	Very high	138 Å²	138	65.5 Å²	65.5	64%	0.639	35%	0.353	S	S	*	.	S	Bend	trans	61.4	24.9	-176.8	-59.6	-72.2	0	0	0	114.8	R254 D255	R254-H258 WeakPolarHBondContact CD-O 3.25Å; D255-H258 PolarHBondContact O-N 3.12Å; D255-H258 PolarHBondContact OD1-N 3.47Å
259	K	94	Very high	94	Very high	23 Å²	23	66.5 Å²	66.5	10%	0.1	35%	0.353	C	S	.	.			trans	-101.9	153.8	176.2	-63	-62.3	-175.1	175.5	0	111.8	D34 H35 F242 R254 D255 T257 I261 Y269	D34-K259 IonicContact OD1-NZ 3.21Å; H35-K259 PolarHBondContact ND1-NZ 3.34Å; F242-K259 HydrophobicContact CE1-CD 4.38Å; F242-K259 HydrophobicContact CZ-CD 4.47Å; R254-K259 CarbonylContact C-O 3.58Å; R254-K259 VanDerWaalsContact CA-O 3.22Å; R254-K259 WeakPolarHBondContact CA-O 3.13Å; D255-K259 PolarHBondContact N-O 3.42Å; D255-K259 PolarHBondContact OD1-N 3.38Å; T257-K259 PolarHBondContact O-N 2.81Å; K259-I261 PolarHBondContact O-N 3.03Å; K259-Y269 HydrophobicContact CB-CE1 3.99Å; K259-Y269 WeakPolarHBondContact CB-OH 3.21Å
260	P	96.2	Very high	94	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-57.3	137.1	178.4	-15.5	21.9	0	0	0	112.4	P241 F242 T252 Y269	P241-P260 HydrophobicContact CB-CB 3.99Å; P241-P260 HydrophobicContact CB-CG 3.73Å; F242-P260 HydrophobicContact CD1-CG 4.29Å; F242-P260 HydrophobicContact CD2-CG 4.38Å; F242-P260 VanDerWaalsContact CE1-CD 3.49Å; F242-P260 HydrophobicContact CE1-CG 3.82Å; F242-P260 HydrophobicContact CE2-CG 3.92Å; F242-P260 VanDerWaalsContact CZ-CD 3.44Å; F242-P260 HydrophobicContact CZ-CG 3.62Å; T252-P260 HydrophobicContact CG2-CB 3.94Å; P260-Y269 HydrophobicContact CB-CD1 3.67Å; P260-Y269 HydrophobicContact CB-CE1 4.37Å; P260-Y269 HydrophobicContact CB-CG 4.03Å; P260-Y269 HydrophobicContact CG-CD1 3.76Å; P260-Y269 HydrophobicContact CG-CD2 4.3Å; P260-Y269 HydrophobicContact CG-CE1 4.33Å; P260-Y269 HydrophobicContact CG-CG 3.73Å; P260-Y269 WeakPolarHBondContact O-CD1 3.43Å; P260-Y269 WeakPolarHBondContact O-CE1 3.1Å
261	I	96.6	Very high	94	Very high	75 Å²	75	64 Å²	64	39%	0.385	33%	0.333	S	S	.	.	S	Bend	trans	-76.8	-30.4	-176.1	62	167.2	0	0	0	113.9	P253 D255 K259	P253-I261 HydrophobicContact CB-CD1 3.71Å; P253-I261 HydrophobicContact CB-CG1 4Å; P253-I261 HydrophobicContact CG-CD1 4.14Å; P253-I261 PolarHBondContact O-N 2.83Å; P253-I261 VanDerWaalsContact O-N 3.09Å; D255-I261 HydrophobicContact CB-CG2 4.14Å; K259-I261 PolarHBondContact O-N 3.03Å
262	Y	95.2	Very high	94	Very high	109 Å²	109	63.5 Å²	63.5	43%	0.427	33%	0.333	S	S	.	.			trans	-85.5	135.6	-177.3	-51.9	-57.4	0	0	0	110.1	T252 P253 Y269 L270	T252-Y262 HydrophobicContact CG2-CD2 3.77Å; T252-Y262 HydrophobicContact CG2-CE2 4.19Å; P253-Y262 HydrophobicContact CG-CE2 4.5Å; Y262-Y269 CarbonylContact O-C 3.47Å; Y262-Y269 WeakPolarHBondContact O-CA 3.38Å; Y262-L270 PolarHBondContact O-N 2.84Å
263	K	93.6	Very high	93.9	Very high	108 Å²	108	69.2 Å²	69.2	47%	0.47	36%	0.363	S	S	.	.	B	Isolated β-bridge	trans	-138.9	152	175	-64.4	173.4	-174	165.9	0	109.9	R268 Y269	K263-R268 CarbonylContact C-O 3.55Å; K263-R268 WeakPolarHBondContact CA-O 3.29Å; K263-Y269 HydrophobicContact CD-CD1 4.39Å; K263-Y269 HydrophobicContact CD-CE1 4.28Å; K263-Y269 HydrophobicContact CG-CD1 3.83Å; K263-Y269 HydrophobicContact CG-CE1 4.21Å
264	D	90.8	Very high	93.8	Very high	16 Å²	16	69.7 Å²	69.7	9%	0.086	36%	0.362	C	S	.	.			trans	-82.5	-179.8	167.9	71.7	11.9	0	0	0	112	H266 G267 R268 L270	D264-H266 PolarHBondContact O-N 3.22Å; D264-H266 WeakPolarHBondContact OD1-CA 3.44Å; D264-H266 WeakPolarHBondContact OD1-CB 3.38Å; D264-H266 PolarHBondContact OD1-N 2.86Å; D264-G267 PolarHBondContact O-N 2.91Å; D264-G267 PolarHBondContact OD1-N 3.31Å; D264-R268 PolarHBondContact N-O 3.16Å; D264-R268 WeakPolarHBondContact OD1-CB 3.31Å; D264-R268 PolarHBondContact OD1-N 2.04Å; D264-R268 IonicContact OD1-NE 2.74Å; D264-R268 IonicContact OD2-CZ 2.74Å; D264-R268 IonicContact OD2-NE 3.88Å; D264-R268 PolarHBondContact OD2-NE 3.11Å; D264-R268 IonicContact OD2-NH2 3.78Å; D264-R268 PolarHBondContact OD2-NH2 3.38Å; D264-L270 HydrophobicContact CB-CD1 4.01Å; D264-L270 HydrophobicContact CB-CD2 4.35Å; D264-L270 HydrophobicContact CB-CG 4.24Å
265	Q	90.4	Very high	93.9	Very high	167 Å²	167	67.2 Å²	67.2	78%	0.78	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-16.7	179	66.1	-174.6	-29.7	0	0	114.7
266	H	88.7	Confident	94.1	Very high	130 Å²	130	64.8 Å²	64.8	60%	0.602	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.1	8.3	177	-56.4	95	0	0	0	112.1	D264 R268	D264-H266 PolarHBondContact O-N 3.22Å; D264-H266 WeakPolarHBondContact OD1-CA 3.44Å; D264-H266 WeakPolarHBondContact OD1-CB 3.38Å; D264-H266 PolarHBondContact OD1-N 2.86Å; H266-R268 VanDerWaalsContact C-N 3.28Å; H266-R268 HydrophobicContact CB-CG 4.41Å; H266-R268 PolarHBondContact ND1-NH2 2.96Å; H266-R268 VanDerWaalsContact ND1-NH2 3.14Å; H266-R268 PolarHBondContact O-N 3.35Å
267	G	89.6	Confident	94.2	Very high	44 Å²	44	65 Å²	65	45%	0.454	32%	0.318	S	S	.	.	S	Bend	trans	76.2	10.1	-179.4	0	0	0	0	0	114.4	D264	D264-G267 PolarHBondContact O-N 2.91Å; D264-G267 PolarHBondContact OD1-N 3.31Å
268	R	90.7	Very high	94.6	Very high	66 Å²	66	65.3 Å²	65.3	25%	0.249	31%	0.311	C	S	.	.			trans	-78.3	133.8	177.8	-60.5	175.4	-66.4	-154.8	-5.2	109.2	K263 D264 H266	K263-R268 CarbonylContact C-O 3.55Å; K263-R268 WeakPolarHBondContact CA-O 3.29Å; D264-R268 PolarHBondContact N-O 3.16Å; D264-R268 WeakPolarHBondContact OD1-CB 3.31Å; D264-R268 PolarHBondContact OD1-N 2.04Å; D264-R268 IonicContact OD1-NE 2.74Å; D264-R268 IonicContact OD2-CZ 2.74Å; D264-R268 IonicContact OD2-NE 3.88Å; D264-R268 PolarHBondContact OD2-NE 3.11Å; D264-R268 IonicContact OD2-NH2 3.78Å; D264-R268 PolarHBondContact OD2-NH2 3.38Å; H266-R268 VanDerWaalsContact C-N 3.28Å; H266-R268 HydrophobicContact CB-CG 4.41Å; H266-R268 PolarHBondContact ND1-NH2 2.96Å; H266-R268 VanDerWaalsContact ND1-NH2 3.14Å; H266-R268 PolarHBondContact O-N 3.35Å
269	Y	93.9	Very high	94.8	Very high	34 Å²	34	59.3 Å²	59.3	13%	0.133	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-62.4	138.7	179.6	-64.8	-65.4	0	0	0	111.5	P241 F242 K259 P260 Y262 K263	P241-Y269 VanDerWaalsContact CG-O 3.23Å; P241-Y269 WeakPolarHBondContact CG-O 3.11Å; F242-Y269 HydrophobicContact CE2-CD2 4.04Å; F242-Y269 HydrophobicContact CZ-CD2 4.01Å; F242-Y269 HydrophobicContact CZ-CE2 4.23Å; K259-Y269 HydrophobicContact CB-CE1 3.99Å; K259-Y269 WeakPolarHBondContact CB-OH 3.21Å; P260-Y269 HydrophobicContact CB-CD1 3.67Å; P260-Y269 HydrophobicContact CB-CE1 4.37Å; P260-Y269 HydrophobicContact CB-CG 4.03Å; P260-Y269 HydrophobicContact CG-CD1 3.76Å; P260-Y269 HydrophobicContact CG-CD2 4.3Å; P260-Y269 HydrophobicContact CG-CE1 4.33Å; P260-Y269 HydrophobicContact CG-CG 3.73Å; P260-Y269 WeakPolarHBondContact O-CD1 3.43Å; P260-Y269 WeakPolarHBondContact O-CE1 3.1Å; Y262-Y269 CarbonylContact O-C 3.47Å; Y262-Y269 WeakPolarHBondContact O-CA 3.38Å; K263-Y269 HydrophobicContact CD-CD1 4.39Å; K263-Y269 HydrophobicContact CD-CE1 4.28Å; K263-Y269 HydrophobicContact CG-CD1 3.83Å; K263-Y269 HydrophobicContact CG-CE1 4.21Å
270	L	95.2	Very high	95	Very high	36 Å²	36	60.8 Å²	60.8	19%	0.188	30%	0.295	C	S	.	.			trans	-112.2	142.9	175.9	-67.2	175.9	0	0	0	110.5	Y262 D264 I329	Y262-L270 PolarHBondContact O-N 2.84Å; D264-L270 HydrophobicContact CB-CD1 4.01Å; D264-L270 HydrophobicContact CB-CD2 4.35Å; D264-L270 HydrophobicContact CB-CG 4.24Å; L270-I329 HydrophobicContact CD2-CD1 3.9Å
271	P	97.4	Very high	94.9	Very high	11 Å²	11	61.3 Å²	61.3	7%	0.071	30%	0.297	C	S	.	.			trans	-71.4	158.1	172.8	32.9	-36.5	0	0	0	111.2	T252 T275 I276 I329	T252-P271 WeakPolarHBondContact OG1-CA 3.44Å; P271-T275 HydrophobicContact CB-CG2 4.16Å; P271-I276 HydrophobicContact CB-CB 4.5Å; P271-I276 HydrophobicContact CG-CB 3.74Å; P271-I276 HydrophobicContact CG-CD1 3.93Å; P271-I276 HydrophobicContact CG-CG1 4.26Å; P271-I276 HydrophobicContact CG-CG2 4.47Å; P271-I329 VanDerWaalsContact CD-CD1 3.48Å; P271-I329 HydrophobicContact CG-CD1 3.71Å
272	S	97.7	Very high	94.9	Very high	8 Å²	8	61.9 Å²	61.9	6%	0.056	30%	0.304	C	S	.	.			trans	-64.5	154	169.5	47.3	0	0	0	0	112.4	R251 T252 D274 T275 I276	R251-S272 PolarHBondContact O-OG 3.08Å; R251-S272 VanDerWaalsContact O-OG 3.14Å; T252-S272 PolarHBondContact OG1-N 2.87Å; T252-S272 PolarHBondContact OG1-OG 2.83Å; S272-D274 VanDerWaalsContact CB-OD1 3.23Å; S272-D274 WeakPolarHBondContact CB-OD1 3.24Å; S272-D274 PolarHBondContact O-N 3.45Å; S272-D274 VanDerWaalsContact O-N 3.11Å; S272-D274 PolarHBondContact OG-OD1 2.86Å; S272-T275 WeakPolarHBondContact O-CB 3.32Å; S272-T275 PolarHBondContact O-N 3.03Å; S272-T275 PolarHBondContact OG-OG1 2.85Å; S272-I276 PolarHBondContact O-N 3.01Å; S272-I276 VanDerWaalsContact O-N 3.13Å
273	N	97	Very high	94.9	Very high	120 Å²	120	58.4 Å²	58.4	64%	0.642	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-15.3	-178.9	-83.5	-26.4	0	0	0	114.9	T275 I276 V298	N273-T275 VanDerWaalsContact C-N 3.32Å; N273-I276 WeakPolarHBondContact CA-O 3.22Å; N273-V298 WeakPolarHBondContact O-CG2 3.34Å
274	D	96.4	Very high	95.1	Very high	69 Å²	69	55.9 Å²	55.9	37%	0.369	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-6.9	173.3	72.5	-17.1	0	0	0	113.2	F245 S272 V298	F245-D274 VanDerWaalsContact CZ-OD2 3.31Å; F245-D274 WeakPolarHBondContact CZ-OD2 3.41Å; S272-D274 VanDerWaalsContact CB-OD1 3.23Å; S272-D274 WeakPolarHBondContact CB-OD1 3.24Å; S272-D274 PolarHBondContact O-N 3.45Å; S272-D274 VanDerWaalsContact O-N 3.11Å; S272-D274 PolarHBondContact OG-OD1 2.86Å; D274-V298 WeakPolarHBondContact O-CG2 3.1Å
275	T	98.3	Very high	95.3	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-59.7	177.3	-59.1	0	0	0	0	109.9	M243 R251 P271 S272 N273 F297 V298 T299	M243-T275 HydrophobicContact CE-CG2 4.31Å; M243-T275 HydrophobicContact SD-CG2 3.76Å; R251-T275 WeakPolarHBondContact CB-OG1 3.28Å; R251-T275 WeakPolarHBondContact CD-OG1 3.36Å; P271-T275 HydrophobicContact CB-CG2 4.16Å; S272-T275 WeakPolarHBondContact O-CB 3.32Å; S272-T275 PolarHBondContact O-N 3.03Å; S272-T275 PolarHBondContact OG-OG1 2.85Å; N273-T275 VanDerWaalsContact C-N 3.32Å; T275-F297 HydrophobicContact CG2-CD1 4.44Å; T275-F297 HydrophobicContact CG2-CE1 4.11Å; T275-F297 WeakPolarHBondContact O-CA 3.28Å; T275-V298 PolarHBondContact O-N 2.95Å; T275-T299 HydrophobicContact CG2-CG2 4.08Å
276	I	98.4	Very high	95.5	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	136.3	173	-71.4	164.9	0	0	0	108.8	F240 P271 S272 N273 Y295 S296 F297 L320 I329	F240-I276 HydrophobicContact CB-CD1 3.94Å; F240-I276 HydrophobicContact CD2-CD1 3.35Å; F240-I276 HydrophobicContact CE2-CD1 4.09Å; F240-I276 HydrophobicContact CG-CD1 3.9Å; P271-I276 HydrophobicContact CB-CB 4.5Å; P271-I276 HydrophobicContact CG-CB 3.74Å; P271-I276 HydrophobicContact CG-CD1 3.93Å; P271-I276 HydrophobicContact CG-CG1 4.26Å; P271-I276 HydrophobicContact CG-CG2 4.47Å; S272-I276 PolarHBondContact O-N 3.01Å; S272-I276 VanDerWaalsContact O-N 3.13Å; N273-I276 WeakPolarHBondContact CA-O 3.22Å; I276-Y295 HydrophobicContact CG2-CD1 4.12Å; I276-S296 VanDerWaalsContact CA-O 3.28Å; I276-S296 WeakPolarHBondContact CA-O 3.46Å; I276-F297 HydrophobicContact CD1-CD1 4.08Å; I276-F297 HydrophobicContact CD1-CD2 4.31Å; I276-F297 HydrophobicContact CD1-CE1 3.67Å; I276-F297 HydrophobicContact CD1-CE2 3.97Å; I276-F297 HydrophobicContact CD1-CG 4.39Å; I276-F297 HydrophobicContact CD1-CZ 3.63Å; I276-F297 HydrophobicContact CG1-CD1 3.58Å; I276-F297 HydrophobicContact CG1-CD2 4.26Å; I276-F297 HydrophobicContact CG1-CE1 3.67Å; I276-F297 HydrophobicContact CG1-CE2 4.38Å; I276-F297 HydrophobicContact CG1-CG 3.9Å; I276-F297 HydrophobicContact CG1-CZ 4.1Å; I276-L320 HydrophobicContact CD1-CD1 3.74Å; I276-L320 HydrophobicContact CG1-CD1 4.31Å; I276-I329 HydrophobicContact CD1-CG2 4.04Å; I276-I329 HydrophobicContact CG2-CD1 4.02Å; I276-I329 HydrophobicContact CG2-CG1 4.47Å
277	R	97.3	Very high	95.9	Very high	110 Å²	110	51.1 Å²	51.1	42%	0.415	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.6	179.9	-175.1	171.9	59.7	-178	-3.1	110.7	S296 V298	R277-S296 PolarHBondContact N-O 3.31Å; R277-S296 PolarHBondContact O-N 3Å; R277-V298 HydrophobicContact CB-CG1 4.03Å; R277-V298 HydrophobicContact CB-CG2 4.49Å
278	K	97.1	Very high	96.2	Very high	104 Å²	104	50.3 Å²	50.3	45%	0.452	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	121.8	166.9	-165.5	177.3	79.6	154.8	0	110.2	D293 F294 Y295	K278-D293 HydrophobicContact CD-CB 4.01Å; K278-D293 WeakPolarHBondContact CD-OD2 3.32Å; K278-D293 WeakPolarHBondContact CE-OD2 3.43Å; K278-D293 HydrophobicContact CG-CB 4.02Å; K278-D293 IonicContact NZ-OD2 3.48Å; K278-D293 PolarHBondContact NZ-OD2 2.97Å; K278-F294 CarbonylContact C-O 3.45Å; K278-Y295 HydrophobicContact CB-CD1 4.22Å; K278-Y295 HydrophobicContact CB-CE1 3.99Å; K278-Y295 HydrophobicContact CD-CE2 4.42Å; K278-Y295 HydrophobicContact CG-CE1 4.44Å; K278-Y295 HydrophobicContact CG-CE2 4.47Å
279	I	97	Very high	96.5	Very high	11 Å²	11	54.3 Å²	54.3	6%	0.056	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	114.4	-178.8	-58.2	-176.5	0	0	0	108.3	R281 F294 V298 N316	I279-R281 HydrophobicContact CG2-CG 4.24Å; I279-F294 PolarHBondContact N-O 3.21Å; I279-F294 PolarHBondContact O-N 3.47Å; I279-V298 HydrophobicContact CD1-CG1 4.35Å; I279-N316 HydrophobicContact CD1-CB 4.29Å; I279-N316 WeakPolarHBondContact CD1-OD1 3.38Å; I279-N316 VanDerWaalsContact CG2-ND2 3.34Å; I279-N316 WeakPolarHBondContact CG2-ND2 3.06Å
280	T	96.8	Very high	96.7	Very high	54 Å²	54	57.6 Å²	57.6	33%	0.331	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	129.2	174.2	-49.6	0	0	0	0	110.3	R291 K292 D293	T280-R291 HydrophobicContact CG2-CB 3.9Å; T280-R291 HydrophobicContact CG2-CG 4.45Å; T280-K292 WeakPolarHBondContact CA-O 3.3Å; T280-D293 WeakPolarHBondContact CA-OD1 3.29Å; T280-D293 WeakPolarHBondContact CB-OD1 3.36Å; T280-D293 WeakPolarHBondContact CG2-OD1 3.39Å; T280-D293 PolarHBondContact OG1-OD1 3.27Å
281	R	95.2	Very high	96.7	Very high	12 Å²	12	65.2 Å²	65.2	5%	0.045	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	144.8	175.8	-61.4	-177.8	-178.7	159.5	3.4	110.5	I279 R291 K292 F294 N316 D319 V388	I279-R281 HydrophobicContact CG2-CG 4.24Å; R281-R291 WeakPolarHBondContact O-CA 3.49Å; R281-K292 PolarHBondContact N-O 2.97Å; R281-K292 PolarHBondContact O-N 3.27Å; R281-F294 HydrophobicContact CB-CE2 4.39Å; R281-F294 HydrophobicContact CG-CD2 4.38Å; R281-N316 PolarHBondContact NH2-OD1 3.11Å; R281-D319 IonicContact CZ-OD1 3.9Å; R281-D319 IonicContact CZ-OD2 2.62Å; R281-D319 IonicContact NH1-OD1 3.6Å; R281-D319 PolarHBondContact NH1-OD1 2.98Å; R281-D319 IonicContact NH1-OD2 2.66Å; R281-D319 PolarHBondContact NH1-OD2 3.19Å; R281-D319 IonicContact NH2-OD1 3.54Å; R281-D319 PolarHBondContact NH2-OD1 3.02Å; R281-D319 IonicContact NH2-OD2 3.91Å; R281-V388 PolarHBondContact NH1-O 3.36Å
282	T	95.6	Very high	96.6	Very high	86 Å²	86	67.2 Å²	67.2	53%	0.528	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	134.8	166.2	-55.4	0	0	0	0	108.8	W289	T282-W289 HydrophobicContact CG2-CE3 3.43Å; T282-W289 VanDerWaalsContact CG2-CE3 3.43Å; T282-W289 HydrophobicContact CG2-CZ3 3.61Å
283	W	96.1	Very high	96.5	Very high	37 Å²	37	69.9 Å²	69.9	14%	0.14	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	108.5	-169.2	-156.1	-103.1	0	0	0	110.6	F290 K292 F294 K390 S391	W283-F290 HydrophobicContact CB-CB 4.48Å; W283-F290 PolarHBondContact N-O 3.34Å; W283-F290 PolarHBondContact O-N 3.09Å; W283-K292 HydrophobicContact CB-CB 4.1Å; W283-K292 HydrophobicContact CD2-CB 4.35Å; W283-K292 HydrophobicContact CD2-CD 4.43Å; W283-K292 HydrophobicContact CG-CB 4.13Å; W283-F294 HydrophobicContact CE3-CE2 4.17Å; W283-F294 HydrophobicContact CE3-CZ 4.19Å; W283-F294 HydrophobicContact CH2-CE2 4.44Å; W283-F294 AromaticContact CH2-CZ 3.73Å; W283-F294 HydrophobicContact CH2-CZ 3.73Å; W283-F294 HydrophobicContact CZ2-CZ 4.25Å; W283-F294 AromaticContact CZ3-CE2 3.96Å; W283-F294 HydrophobicContact CZ3-CE2 3.96Å; W283-F294 AromaticContact CZ3-CZ 3.71Å; W283-F294 HydrophobicContact CZ3-CZ 3.71Å; W283-K390 WeakPolarHBondContact CH2-O 3.14Å; W283-K390 VanDerWaalsContact CZ3-C 3.45Å; W283-S391 VanDerWaalsContact CZ2-CA 3.41Å
284	K	97.5	Very high	96.4	Very high	55 Å²	55	64.2 Å²	64.2	24%	0.239	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	136.5	174.7	-161	-175.3	-178.1	-169.9	0	110.2	G288 W289 S391 F393 E394	K284-G288 CarbonylContact C-O 3.57Å; K284-W289 HydrophobicContact CB-CD2 4.22Å; K284-W289 HydrophobicContact CB-CE3 3.82Å; K284-W289 HydrophobicContact CB-CH2 4Å; K284-W289 HydrophobicContact CB-CZ2 4.35Å; K284-W289 HydrophobicContact CB-CZ3 3.71Å; K284-W289 HydrophobicContact CD-CH2 4.03Å; K284-W289 HydrophobicContact CD-CZ2 3.8Å; K284-W289 HydrophobicContact CG-CD2 4.09Å; K284-W289 HydrophobicContact CG-CE3 4.21Å; K284-W289 HydrophobicContact CG-CH2 4.16Å; K284-W289 HydrophobicContact CG-CZ2 4.01Å; K284-W289 HydrophobicContact CG-CZ3 4.25Å; K284-S391 WeakPolarHBondContact O-CB 3.19Å; K284-S391 PolarHBondContact O-OG 3.05Å; K284-F393 HydrophobicContact CD-CD1 4.13Å; K284-F393 HydrophobicContact CD-CE1 4.12Å; K284-F393 HydrophobicContact CG-CD1 4.07Å; K284-F393 HydrophobicContact CG-CE1 4.27Å; K284-E394 HydrophobicContact CB-CB 3.88Å; K284-E394 HydrophobicContact CB-CG 3.95Å; K284-E394 HydrophobicContact CD-CB 4.37Å; K284-E394 HydrophobicContact CD-CG 3.96Å
285	S	95.4	Very high	96.5	Very high	38 Å²	38	63.7 Å²	63.7	27%	0.266	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	178.4	165.4	82.8	0	0	0	0	109.4	A287 G288 F290	S285-A287 PolarHBondContact O-N 2.88Å; S285-A287 PolarHBondContact OG-N 3.19Å; S285-A287 VanDerWaalsContact OG-N 3.09Å; S285-G288 PolarHBondContact N-O 2.66Å; S285-G288 PolarHBondContact O-N 2.61Å; S285-G288 VanDerWaalsContact O-N 3.11Å; S285-F290 WeakPolarHBondContact OG-CE2 3.29Å
286	A	94.8	Very high	96.5	Very high	89 Å²	89	63.7 Å²	63.7	74%	0.736	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-25.2	172	0	0	0	0	0	112.5	F393	A286-F393 HydrophobicContact CB-CD2 4.25Å; A286-F393 HydrophobicContact CB-CE2 3.94Å; A286-F393 HydrophobicContact CB-CZ 4.39Å
287	A	96.2	Very high	96.5	Very high	85 Å²	85	63.5 Å²	63.5	70%	0.702	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-3.3	178.8	0	0	0	0	0	114	S285 F290	S285-A287 PolarHBondContact O-N 2.88Å; S285-A287 PolarHBondContact OG-N 3.19Å; S285-A287 VanDerWaalsContact OG-N 3.09Å; A287-F290 HydrophobicContact CB-CE2 4.11Å; A287-F290 HydrophobicContact CB-CZ 3.9Å
288	G	96.6	Very high	96.5	Very high	27 Å²	27	58.9 Å²	58.9	28%	0.278	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	124.3	-151	179.7	0	0	0	0	0	114	K284 S285 F290	K284-G288 CarbonylContact C-O 3.57Å; S285-G288 PolarHBondContact N-O 2.66Å; S285-G288 PolarHBondContact O-N 2.61Å; S285-G288 VanDerWaalsContact O-N 3.11Å; G288-F290 VanDerWaalsContact C-CE2 3.49Å; G288-F290 WeakPolarHBondContact O-CD2 3.39Å; G288-F290 WeakPolarHBondContact O-CE2 3.48Å
289	W	97.9	Very high	96.6	Very high	151 Å²	151	54 Å²	54	57%	0.572	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.1	133.1	-175.6	-70	96.6	0	0	0	111.9	T282 K284	T282-W289 HydrophobicContact CG2-CE3 3.43Å; T282-W289 VanDerWaalsContact CG2-CE3 3.43Å; T282-W289 HydrophobicContact CG2-CZ3 3.61Å; K284-W289 HydrophobicContact CB-CD2 4.22Å; K284-W289 HydrophobicContact CB-CE3 3.82Å; K284-W289 HydrophobicContact CB-CH2 4Å; K284-W289 HydrophobicContact CB-CZ2 4.35Å; K284-W289 HydrophobicContact CB-CZ3 3.71Å; K284-W289 HydrophobicContact CD-CH2 4.03Å; K284-W289 HydrophobicContact CD-CZ2 3.8Å; K284-W289 HydrophobicContact CG-CD2 4.09Å; K284-W289 HydrophobicContact CG-CE3 4.21Å; K284-W289 HydrophobicContact CG-CH2 4.16Å; K284-W289 HydrophobicContact CG-CZ2 4.01Å; K284-W289 HydrophobicContact CG-CZ3 4.25Å
290	F	96.8	Very high	96.7	Very high	103 Å²	103	57.4 Å²	57.4	45%	0.452	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	168.9	-177.6	-56	-89.7	0	0	0	110.4	W283 S285 A287 G288	W283-F290 HydrophobicContact CB-CB 4.48Å; W283-F290 PolarHBondContact N-O 3.34Å; W283-F290 PolarHBondContact O-N 3.09Å; S285-F290 WeakPolarHBondContact OG-CE2 3.29Å; A287-F290 HydrophobicContact CB-CE2 4.11Å; A287-F290 HydrophobicContact CB-CZ 3.9Å; G288-F290 VanDerWaalsContact C-CE2 3.49Å; G288-F290 WeakPolarHBondContact O-CD2 3.39Å; G288-F290 WeakPolarHBondContact O-CE2 3.48Å
291	R	96.2	Very high	96.8	Very high	195 Å²	195	59 Å²	59	74%	0.736	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109	132.8	163.8	-64.8	-179.8	68.8	113.8	-0.1	107.9	T280 R281	T280-R291 HydrophobicContact CG2-CB 3.9Å; T280-R291 HydrophobicContact CG2-CG 4.45Å; R281-R291 WeakPolarHBondContact O-CA 3.49Å
292	K	94.7	Very high	96.9	Very high	54 Å²	54	58.4 Å²	58.4	24%	0.235	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	133.3	175.7	-172.9	171	175.3	-173.8	0	110	T280 R281 W283 F294 N322	T280-K292 WeakPolarHBondContact CA-O 3.3Å; R281-K292 PolarHBondContact N-O 2.97Å; R281-K292 PolarHBondContact O-N 3.27Å; W283-K292 HydrophobicContact CB-CB 4.1Å; W283-K292 HydrophobicContact CD2-CB 4.35Å; W283-K292 HydrophobicContact CD2-CD 4.43Å; W283-K292 HydrophobicContact CG-CB 4.13Å; K292-F294 HydrophobicContact CB-CE2 3.9Å; K292-F294 HydrophobicContact CB-CZ 4.37Å; K292-F294 HydrophobicContact CD-CE1 4.18Å; K292-F294 HydrophobicContact CD-CE2 3.95Å; K292-F294 HydrophobicContact CD-CZ 3.52Å; K292-F294 HydrophobicContact CG-CD2 4.38Å; K292-F294 HydrophobicContact CG-CE2 3.69Å; K292-F294 HydrophobicContact CG-CZ 3.82Å; K292-N322 WeakPolarHBondContact CE-ND2 3.41Å; K292-N322 PolarHBondContact NZ-ND2 3.02Å; K292-N322 PolarHBondContact NZ-OD1 3.5Å; K292-N322 VanDerWaalsContact NZ-OD1 3.14Å
293	D	94.9	Very high	97.1	Very high	64 Å²	64	57.4 Å²	57.4	34%	0.342	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	138.6	177.7	-74.6	-10.5	0	0	0	110.6	K278 T280	K278-D293 HydrophobicContact CD-CB 4.01Å; K278-D293 WeakPolarHBondContact CD-OD2 3.32Å; K278-D293 WeakPolarHBondContact CE-OD2 3.43Å; K278-D293 HydrophobicContact CG-CB 4.02Å; K278-D293 IonicContact NZ-OD2 3.48Å; K278-D293 PolarHBondContact NZ-OD2 2.97Å; T280-D293 WeakPolarHBondContact CA-OD1 3.29Å; T280-D293 WeakPolarHBondContact CB-OD1 3.36Å; T280-D293 WeakPolarHBondContact CG2-OD1 3.39Å; T280-D293 PolarHBondContact OG1-OD1 3.27Å
294	F	95.8	Very high	97.2	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	125.5	174.8	-62.7	-93.9	0	0	0	109.5	K278 I279 R281 W283 K292 D319 N322	K278-F294 CarbonylContact C-O 3.45Å; I279-F294 PolarHBondContact N-O 3.21Å; I279-F294 PolarHBondContact O-N 3.47Å; R281-F294 HydrophobicContact CB-CE2 4.39Å; R281-F294 HydrophobicContact CG-CD2 4.38Å; W283-F294 HydrophobicContact CE3-CE2 4.17Å; W283-F294 HydrophobicContact CE3-CZ 4.19Å; W283-F294 HydrophobicContact CH2-CE2 4.44Å; W283-F294 AromaticContact CH2-CZ 3.73Å; W283-F294 HydrophobicContact CH2-CZ 3.73Å; W283-F294 HydrophobicContact CZ2-CZ 4.25Å; W283-F294 AromaticContact CZ3-CE2 3.96Å; W283-F294 HydrophobicContact CZ3-CE2 3.96Å; W283-F294 AromaticContact CZ3-CZ 3.71Å; W283-F294 HydrophobicContact CZ3-CZ 3.71Å; K292-F294 HydrophobicContact CB-CE2 3.9Å; K292-F294 HydrophobicContact CB-CZ 4.37Å; K292-F294 HydrophobicContact CD-CE1 4.18Å; K292-F294 HydrophobicContact CD-CE2 3.95Å; K292-F294 HydrophobicContact CD-CZ 3.52Å; K292-F294 HydrophobicContact CG-CD2 4.38Å; K292-F294 HydrophobicContact CG-CE2 3.69Å; K292-F294 HydrophobicContact CG-CZ 3.82Å; F294-D319 HydrophobicContact CB-CB 4.45Å; F294-D319 HydrophobicContact CD1-CB 4.25Å; F294-N322 WeakPolarHBondContact CD1-ND2 3.49Å; F294-N322 VanDerWaalsContact CE1-ND2 3.34Å; F294-N322 WeakPolarHBondContact CE1-ND2 3.29Å
295	Y	97.3	Very high	97.2	Very high	58 Å²	58	56.5 Å²	56.5	23%	0.227	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	126.3	163.5	-72.7	-88.6	0	0	0	108.3	I276 K278 L320 E328 I329	I276-Y295 HydrophobicContact CG2-CD1 4.12Å; K278-Y295 HydrophobicContact CB-CD1 4.22Å; K278-Y295 HydrophobicContact CB-CE1 3.99Å; K278-Y295 HydrophobicContact CD-CE2 4.42Å; K278-Y295 HydrophobicContact CG-CE1 4.44Å; K278-Y295 HydrophobicContact CG-CE2 4.47Å; Y295-L320 WeakPolarHBondContact O-CB 3.41Å; Y295-L320 PolarHBondContact O-N 3.43Å; Y295-E328 WeakPolarHBondContact CD2-O 3.43Å; Y295-E328 HydrophobicContact CE2-CB 3.9Å; Y295-E328 WeakPolarHBondContact CE2-O 3.38Å; Y295-E328 PolarHBondContact OH-OE2 2.77Å; Y295-I329 HydrophobicContact CD1-CD1 4.18Å; Y295-I329 HydrophobicContact CD1-CG1 3.68Å; Y295-I329 HydrophobicContact CD2-CG1 4.46Å; Y295-I329 HydrophobicContact CE1-CG1 4.1Å; Y295-I329 HydrophobicContact CG-CG1 3.87Å
296	S	98.4	Very high	97.4	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	138.1	-172.3	-51.9	0	0	0	0	111.3	I276 R277 V298 A318 D319	I276-S296 VanDerWaalsContact CA-O 3.28Å; I276-S296 WeakPolarHBondContact CA-O 3.46Å; R277-S296 PolarHBondContact N-O 3.31Å; R277-S296 PolarHBondContact O-N 3Å; S296-V298 PolarHBondContact O-N 3.3Å; S296-A318 CarbonylContact C-O 3.53Å; S296-A318 VanDerWaalsContact CA-O 3.25Å; S296-A318 WeakPolarHBondContact CA-O 3.16Å; S296-D319 PolarHBondContact OG-OD1 2.99Å
297	F	98.6	Very high	97.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	127.1	167	-90.2	-71.7	0	0	0	110.3	F240 M243 T275 I276 T299 I302 G317 A318 L320 W333 F360	F240-F297 HydrophobicContact CB-CZ 4.42Å; F240-F297 HydrophobicContact CD1-CE2 4.4Å; F240-F297 AromaticContact CD1-CZ 3.61Å; F240-F297 HydrophobicContact CD1-CZ 3.61Å; F240-F297 HydrophobicContact CD2-CE2 4.21Å; F240-F297 AromaticContact CD2-CZ 3.82Å; F240-F297 HydrophobicContact CD2-CZ 3.82Å; F240-F297 HydrophobicContact CE1-CE2 4.03Å; F240-F297 AromaticContact CE1-CZ 3.65Å; F240-F297 HydrophobicContact CE1-CZ 3.65Å; F240-F297 AromaticContact CE2-CE2 3.86Å; F240-F297 HydrophobicContact CE2-CE2 3.86Å; F240-F297 AromaticContact CE2-CZ 3.89Å; F240-F297 HydrophobicContact CE2-CZ 3.89Å; F240-F297 HydrophobicContact CG-CE1 4.46Å; F240-F297 HydrophobicContact CG-CE2 4.48Å; F240-F297 AromaticContact CG-CZ 3.7Å; F240-F297 HydrophobicContact CG-CZ 3.7Å; F240-F297 AromaticContact CZ-CE2 3.76Å; F240-F297 HydrophobicContact CZ-CE2 3.76Å; F240-F297 AromaticContact CZ-CZ 3.81Å; F240-F297 HydrophobicContact CZ-CZ 3.81Å; M243-F297 HydrophobicContact CE-CE1 3.94Å; M243-F297 HydrophobicContact SD-CE1 3.66Å; M243-F297 HydrophobicContact SD-CZ 4.16Å; T275-F297 HydrophobicContact CG2-CD1 4.44Å; T275-F297 HydrophobicContact CG2-CE1 4.11Å; T275-F297 WeakPolarHBondContact O-CA 3.28Å; I276-F297 HydrophobicContact CD1-CD1 4.08Å; I276-F297 HydrophobicContact CD1-CD2 4.31Å; I276-F297 HydrophobicContact CD1-CE1 3.67Å; I276-F297 HydrophobicContact CD1-CE2 3.97Å; I276-F297 HydrophobicContact CD1-CG 4.39Å; I276-F297 HydrophobicContact CD1-CZ 3.63Å; I276-F297 HydrophobicContact CG1-CD1 3.58Å; I276-F297 HydrophobicContact CG1-CD2 4.26Å; I276-F297 HydrophobicContact CG1-CE1 3.67Å; I276-F297 HydrophobicContact CG1-CE2 4.38Å; I276-F297 HydrophobicContact CG1-CG 3.9Å; I276-F297 HydrophobicContact CG1-CZ 4.1Å; F297-T299 HydrophobicContact CD1-CG2 4.42Å; F297-I302 HydrophobicContact CB-CB 4.44Å; F297-I302 HydrophobicContact CB-CD1 3.97Å; F297-I302 HydrophobicContact CB-CG2 3.86Å; F297-I302 HydrophobicContact CD1-CD1 3.71Å; F297-I302 HydrophobicContact CD2-CD1 4.29Å; F297-I302 HydrophobicContact CE1-CD1 4.23Å; F297-I302 HydrophobicContact CG-CD1 3.74Å; F297-G317 CarbonylContact O-C 3.51Å; F297-G317 WeakPolarHBondContact O-CA 3.23Å; F297-A318 HydrophobicContact CB-CB 4.35Å; F297-A318 PolarHBondContact N-O 2.91Å; F297-A318 PolarHBondContact O-N 3.49Å; F297-L320 HydrophobicContact CD2-CD1 3.99Å; F297-L320 HydrophobicContact CD2-CD2 3.84Å; F297-L320 HydrophobicContact CD2-CG 4.06Å; F297-L320 HydrophobicContact CE2-CD1 4Å; F297-L320 HydrophobicContact CE2-CD2 3.84Å; F297-L320 HydrophobicContact CE2-CG 4.33Å; F297-W333 HydrophobicContact CB-CH2 4.48Å; F297-W333 HydrophobicContact CB-CZ3 4.41Å; F297-W333 AromaticContact CD2-CH2 3.6Å; F297-W333 HydrophobicContact CD2-CH2 3.6Å; F297-W333 AromaticContact CD2-CZ3 3.55Å; F297-W333 HydrophobicContact CD2-CZ3 3.55Å; F297-W333 HydrophobicContact CE2-CH2 4.16Å; F297-W333 HydrophobicContact CE2-CZ3 4.3Å; F297-W333 HydrophobicContact CG-CH2 4.32Å; F297-W333 HydrophobicContact CG-CZ3 4.4Å; F297-F360 HydrophobicContact CE1-CD2 4.34Å; F297-F360 HydrophobicContact CE1-CE2 4.43Å; F297-F360 HydrophobicContact CE2-CD2 4.21Å; F297-F360 HydrophobicContact CE2-CE2 4.49Å; F297-F360 AromaticContact CZ-CD2 3.81Å; F297-F360 HydrophobicContact CZ-CD2 3.81Å; F297-F360 AromaticContact CZ-CE2 3.81Å; F297-F360 HydrophobicContact CZ-CE2 3.81Å
298	V	98.5	Very high	97.7	Very high	13 Å²	13	57.6 Å²	57.6	8%	0.079	27%	0.274	C	S	.	.			trans	-115.6	3.6	-179	-60.2	0	0	0	0	113.1	N273 D274 T275 R277 I279 S296 K303 N316	N273-V298 WeakPolarHBondContact O-CG2 3.34Å; D274-V298 WeakPolarHBondContact O-CG2 3.1Å; T275-V298 PolarHBondContact O-N 2.95Å; R277-V298 HydrophobicContact CB-CG1 4.03Å; R277-V298 HydrophobicContact CB-CG2 4.49Å; I279-V298 HydrophobicContact CD1-CG1 4.35Å; S296-V298 PolarHBondContact O-N 3.3Å; V298-K303 PolarHBondContact O-NZ 2.81Å; V298-K303 VanDerWaalsContact O-NZ 3.12Å; V298-N316 WeakPolarHBondContact CG1-O 3.19Å
299	T	98.6	Very high	97.8	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.006	27%	0.266	C	S	.	.			trans	-60.6	152.1	178.1	62.6	0	0	0	0	111.6	M243 T275 F297 K301 I302 K303 D363	M243-T299 HydrophobicContact CE-CG2 4.4Å; T275-T299 HydrophobicContact CG2-CG2 4.08Å; F297-T299 HydrophobicContact CD1-CG2 4.42Å; T299-K301 PolarHBondContact O-N 3.06Å; T299-I302 WeakPolarHBondContact OG1-CD1 3.4Å; T299-I302 WeakPolarHBondContact OG1-CG1 3.17Å; T299-K303 WeakPolarHBondContact O-CB 3.36Å; T299-K303 PolarHBondContact O-N 2.81Å; T299-D363 VanDerWaalsContact C-OD2 3.3Å; T299-D363 WeakPolarHBondContact CB-OD2 3.45Å; T299-D363 HydrophobicContact CG2-CB 4.48Å; T299-D363 PolarHBondContact OG1-OD2 3.14Å
300	P	98.3	Very high	97.8	Very high	82 Å²	82	50.3 Å²	50.3	53%	0.532	24%	0.239	S	C	.	.	H	α-helix	trans	-62	-46.8	-163.6	-25.4	35.8	0	0	0	114.7	A304	P300-A304 WeakPolarHBondContact O-CB 3.25Å; P300-A304 PolarHBondContact O-N 2.95Å
301	K	98.6	Very high	97.9	Very high	87 Å²	87	54.1 Å²	54.1	38%	0.378	25%	0.25	S	S	.	.	H	α-helix	trans	-77.8	-39.5	-174	-60.4	-171.5	172.6	-163.4	0	111.9	T299 A304 A305 E362 D363	T299-K301 PolarHBondContact O-N 3.06Å; K301-A304 PolarHBondContact O-N 3.12Å; K301-A305 VanDerWaalsContact O-CB 3.3Å; K301-A305 WeakPolarHBondContact O-CB 3.46Å; K301-A305 PolarHBondContact O-N 3.44Å; K301-E362 HydrophobicContact CD-CB 4.16Å; K301-E362 HydrophobicContact CD-CG 3.94Å; K301-E362 WeakPolarHBondContact CD-OE2 3.1Å; K301-E362 IonicContact NZ-OE1 3.76Å; K301-E362 PolarHBondContact NZ-OE1 3.49Å; K301-E362 IonicContact NZ-OE2 3.63Å; K301-E362 PolarHBondContact NZ-OE2 2.95Å; K301-D363 WeakPolarHBondContact CA-OD2 3.43Å; K301-D363 WeakPolarHBondContact CB-OD1 3.43Å; K301-D363 WeakPolarHBondContact CB-OD2 3.36Å; K301-D363 WeakPolarHBondContact CG-OD1 3.42Å; K301-D363 PolarHBondContact N-OD1 2.83Å; K301-D363 PolarHBondContact N-OD2 3.4Å
302	I	98.7	Very high	98	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-58.3	-52.9	173.2	-59.5	176.1	0	0	0	110.3	F297 T299 A304 A305 A306 A318 W333 V356 S359 F360 D363	F297-I302 HydrophobicContact CB-CB 4.44Å; F297-I302 HydrophobicContact CB-CD1 3.97Å; F297-I302 HydrophobicContact CB-CG2 3.86Å; F297-I302 HydrophobicContact CD1-CD1 3.71Å; F297-I302 HydrophobicContact CD2-CD1 4.29Å; F297-I302 HydrophobicContact CE1-CD1 4.23Å; F297-I302 HydrophobicContact CG-CD1 3.74Å; T299-I302 WeakPolarHBondContact OG1-CD1 3.4Å; T299-I302 WeakPolarHBondContact OG1-CG1 3.17Å; I302-A304 VanDerWaalsContact C-N 3.33Å; I302-A304 PolarHBondContact O-N 2.87Å; I302-A305 PolarHBondContact O-N 3.21Å; I302-A306 PolarHBondContact O-N 3.1Å; I302-A318 HydrophobicContact CG2-CB 3.52Å; I302-W333 HydrophobicContact CD1-CH2 4.4Å; I302-W333 HydrophobicContact CG2-CH2 3.75Å; I302-W333 HydrophobicContact CG2-CZ2 4.48Å; I302-W333 HydrophobicContact CG2-CZ3 4.42Å; I302-V356 HydrophobicContact CG2-CG1 4.18Å; I302-S359 VanDerWaalsContact CA-OG 3.24Å; I302-S359 WeakPolarHBondContact CA-OG 3.38Å; I302-F360 HydrophobicContact CD1-CB 3.93Å; I302-F360 HydrophobicContact CD1-CD2 4.18Å; I302-F360 HydrophobicContact CG1-CB 4.32Å; I302-D363 HydrophobicContact CD1-CB 4.29Å; I302-D363 HydrophobicContact CG1-CB 4.19Å; I302-D363 PolarHBondContact N-OD2 2.71Å
303	K	98.4	Very high	98.1	Very high	65 Å²	65	45.9 Å²	45.9	28%	0.283	23%	0.234	S	C	.	.	H	α-helix	trans	-60.5	-42.4	178.7	-176.3	170.9	61.5	-162.7	0	111.6	V298 T299 A306 K307	V298-K303 PolarHBondContact O-NZ 2.81Å; V298-K303 VanDerWaalsContact O-NZ 3.12Å; T299-K303 WeakPolarHBondContact O-CB 3.36Å; T299-K303 PolarHBondContact O-N 2.81Å; K303-A306 PolarHBondContact O-N 2.94Å; K303-K307 HydrophobicContact CG-CD 4.46Å; K303-K307 WeakPolarHBondContact O-CB 3.39Å; K303-K307 VanDerWaalsContact O-CG 3.25Å; K303-K307 WeakPolarHBondContact O-CG 3.45Å; K303-K307 PolarHBondContact O-N 3.39Å
304	A	98.6	Very high	98.2	Very high	55 Å²	55	48.9 Å²	48.9	46%	0.455	25%	0.25	S	C	.	.	H	α-helix	trans	-65.2	-41.9	177.8	0	0	0	0	0	112.6	P300 K301 I302 K307 K308	P300-A304 WeakPolarHBondContact O-CB 3.25Å; P300-A304 PolarHBondContact O-N 2.95Å; K301-A304 PolarHBondContact O-N 3.12Å; I302-A304 VanDerWaalsContact C-N 3.33Å; I302-A304 PolarHBondContact O-N 2.87Å; A304-K307 PolarHBondContact O-N 3.45Å; A304-K308 VanDerWaalsContact O-CB 3.31Å; A304-K308 WeakPolarHBondContact O-CB 3.38Å; A304-K308 PolarHBondContact O-N 3.4Å
305	A	98.6	Very high	98.3	Very high	18 Å²	18	48.9 Å²	48.9	15%	0.149	25%	0.25	C	S	.	.	H	α-helix	trans	-62.3	-46	176.8	0	0	0	0	0	111.2	K301 I302 K308 H309 V356	K301-A305 VanDerWaalsContact O-CB 3.3Å; K301-A305 WeakPolarHBondContact O-CB 3.46Å; K301-A305 PolarHBondContact O-N 3.44Å; I302-A305 PolarHBondContact O-N 3.21Å; A305-K308 PolarHBondContact O-N 3.08Å; A305-H309 WeakPolarHBondContact O-CB 3.43Å; A305-H309 PolarHBondContact O-N 3.01Å; A305-V356 HydrophobicContact CB-CG2 4.05Å
306	A	98.6	Very high	98.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-46.8	176.6	0	0	0	0	0	112	I302 K303 K308 H309 F310 L315 A318	I302-A306 PolarHBondContact O-N 3.1Å; K303-A306 PolarHBondContact O-N 2.94Å; A306-K308 VanDerWaalsContact C-N 3.29Å; A306-K308 PolarHBondContact O-N 2.85Å; A306-H309 PolarHBondContact O-N 3.29Å; A306-F310 HydrophobicContact CB-CD2 4.32Å; A306-F310 HydrophobicContact CB-CE2 4.3Å; A306-F310 WeakPolarHBondContact O-CD2 3.46Å; A306-F310 PolarHBondContact O-N 3.39Å; A306-L315 HydrophobicContact CB-CD2 3.67Å; A306-A318 HydrophobicContact CB-CB 4.25Å
307	K	98.6	Very high	98.2	Very high	71 Å²	71	48.5 Å²	48.5	31%	0.309	25%	0.252	S	S	.	.	H	α-helix	trans	-53.1	-47.4	174.6	-80.5	-172.8	174.8	-160.2	0	111.8	K303 A304 R311 C312 A313 L315	K303-K307 HydrophobicContact CG-CD 4.46Å; K303-K307 WeakPolarHBondContact O-CB 3.39Å; K303-K307 VanDerWaalsContact O-CG 3.25Å; K303-K307 WeakPolarHBondContact O-CG 3.45Å; K303-K307 PolarHBondContact O-N 3.39Å; A304-K307 PolarHBondContact O-N 3.45Å; K307-R311 VanDerWaalsContact O-CA 3.3Å; K307-R311 WeakPolarHBondContact O-CA 3.43Å; K307-R311 PolarHBondContact O-N 3.13Å; K307-C312 WeakPolarHBondContact CG-O 3.47Å; K307-C312 PolarHBondContact O-N 2.88Å; K307-C312 VanDerWaalsContact O-N 3.09Å; K307-A313 WeakPolarHBondContact CE-O 3.48Å; K307-A313 PolarHBondContact NZ-O 3.3Å; K307-L315 WeakPolarHBondContact CE-O 3.49Å; K307-L315 HydrophobicContact CG-CB 3.89Å
308	K	98.4	Very high	98.2	Very high	164 Å²	164	48.5 Å²	48.5	71%	0.713	25%	0.252	S	S	*	.	H	α-helix	trans	-66.9	-43	-179.6	-177.2	173.6	-178.5	172.1	0	111.8	A304 A305 A306	A304-K308 VanDerWaalsContact O-CB 3.31Å; A304-K308 WeakPolarHBondContact O-CB 3.38Å; A304-K308 PolarHBondContact O-N 3.4Å; A305-K308 PolarHBondContact O-N 3.08Å; A306-K308 VanDerWaalsContact C-N 3.29Å; A306-K308 PolarHBondContact O-N 2.85Å
309	H	98.6	Very high	98.2	Very high	25 Å²	25	47.9 Å²	47.9	12%	0.116	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-53.3	-179.2	-178	75.9	0	0	0	112.1	A305 A306 R311 W377 Y379 R381 N382	A305-H309 WeakPolarHBondContact O-CB 3.43Å; A305-H309 PolarHBondContact O-N 3.01Å; A306-H309 PolarHBondContact O-N 3.29Å; H309-R311 VanDerWaalsContact C-N 3.26Å; H309-R311 PolarHBondContact O-N 3.14Å; H309-W377 HydrophobicContact CB-CZ3 4.33Å; H309-W377 AromaticContact CD2-CE3 3.5Å; H309-W377 VanDerWaalsContact CD2-CE3 3.5Å; H309-W377 AromaticContact CD2-CH2 3.51Å; H309-W377 AromaticContact CD2-CZ3 3.08Å; H309-W377 WeakPolarHBondContact CD2-CZ3 3.3Å; H309-W377 AromaticContact CE1-CD2 3.44Å; H309-W377 VanDerWaalsContact CE1-CD2 3.44Å; H309-W377 AromaticContact CE1-CE3 3.13Å; H309-W377 AromaticContact CE1-CG 3.92Å; H309-W377 AromaticContact CE1-CZ3 3.63Å; H309-W377 PolarHBondContact CE1-O 3.04Å; H309-W377 VanDerWaalsContact CE1-O 3.29Å; H309-W377 AromaticContact CG-CE3 3.63Å; H309-W377 AromaticContact CG-CZ3 3.5Å; H309-W377 AromaticContact ND1-CE3 3.47Å; H309-W377 AromaticContact ND1-CZ3 3.87Å; H309-W377 AromaticContact NE2-CD2 3.5Å; H309-W377 AromaticContact NE2-CE2 3.82Å; H309-W377 AromaticContact NE2-CE3 3.16Å; H309-W377 AromaticContact NE2-CH2 3.45Å; H309-W377 WeakPolarHBondContact NE2-CH2 3.39Å; H309-W377 AromaticContact NE2-CZ2 3.76Å; H309-W377 AromaticContact NE2-CZ3 3.17Å; H309-W377 WeakPolarHBondContact NE2-CZ3 3.47Å; H309-Y379 PolarHBondContact NE2-O 2.96Å; H309-R381 WeakPolarHBondContact O-CA 2.97Å; H309-N382 PolarHBondContact O-N 3.03Å
310	F	98.5	Very high	98.1	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-77.4	-10.2	-178.8	-61.4	-63.4	0	0	0	113.3	A306 C312 L315 L337 Y338 W377 G380 N382 L383 G384 F387 V388	A306-F310 HydrophobicContact CB-CD2 4.32Å; A306-F310 HydrophobicContact CB-CE2 4.3Å; A306-F310 WeakPolarHBondContact O-CD2 3.46Å; A306-F310 PolarHBondContact O-N 3.39Å; F310-C312 VanDerWaalsContact C-N 3.29Å; F310-C312 HydrophobicContact CB-CB 4.45Å; F310-C312 PolarHBondContact O-N 2.73Å; F310-L315 HydrophobicContact CD2-CD2 3.95Å; F310-L337 HydrophobicContact CZ-CB 4.36Å; F310-Y338 HydrophobicContact CE2-CE1 4.34Å; F310-Y338 HydrophobicContact CZ-CE1 4.25Å; F310-W377 HydrophobicContact CE1-CH2 4.02Å; F310-W377 AromaticContact CZ-CH2 3.68Å; F310-W377 HydrophobicContact CZ-CH2 3.68Å; F310-W377 HydrophobicContact CZ-CZ3 4.37Å; F310-G380 WeakPolarHBondContact CD1-O 3.41Å; F310-N382 CarbonylContact O-C 3.58Å; F310-L383 PolarHBondContact O-N 2.8Å; F310-G384 VanDerWaalsContact O-CA 3.31Å; F310-G384 WeakPolarHBondContact O-CA 3.47Å; F310-G384 PolarHBondContact O-N 3.15Å; F310-F387 HydrophobicContact CD1-CD1 4.02Å; F310-F387 HydrophobicContact CD1-CE1 4.04Å; F310-F387 HydrophobicContact CE1-CD1 4.26Å; F310-F387 AromaticContact CE1-CE1 3.81Å; F310-F387 HydrophobicContact CE1-CE1 3.81Å; F310-V388 HydrophobicContact CB-CB 4.32Å; F310-V388 HydrophobicContact CB-CG1 4.19Å; F310-V388 HydrophobicContact CD1-CB 4.42Å; F310-V388 HydrophobicContact CD2-CB 4.26Å; F310-V388 HydrophobicContact CD2-CG2 3.86Å; F310-V388 HydrophobicContact CE2-CG2 4.04Å; F310-V388 HydrophobicContact CG-CB 4.09Å; F310-V388 HydrophobicContact CG-CG1 4.46Å; F310-V388 HydrophobicContact CG-CG2 4.21Å
311	R	98.2	Very high	97.9	Very high	184 Å²	184	45.2 Å²	45.2	69%	0.694	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.1	45.6	-170.1	-162.8	-179	178.5	173.3	0.1	111.9	K307 H309 N382	K307-R311 VanDerWaalsContact O-CA 3.3Å; K307-R311 WeakPolarHBondContact O-CA 3.43Å; K307-R311 PolarHBondContact O-N 3.13Å; H309-R311 VanDerWaalsContact C-N 3.26Å; H309-R311 PolarHBondContact O-N 3.14Å; R311-N382 HydrophobicContact CB-CB 4.27Å
312	C	98.4	Very high	97.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.223	C	C	.	.			trans	-119.2	99.2	176.5	176.6	0	0	0	0	110.6	K307 F310 N314 L315 C385 V388	K307-C312 WeakPolarHBondContact CG-O 3.47Å; K307-C312 PolarHBondContact O-N 2.88Å; K307-C312 VanDerWaalsContact O-N 3.09Å; F310-C312 VanDerWaalsContact C-N 3.29Å; F310-C312 HydrophobicContact CB-CB 4.45Å; F310-C312 PolarHBondContact O-N 2.73Å; C312-N314 PolarHBondContact O-N 3.3Å; C312-L315 HydrophobicContact CB-CB 4.13Å; C312-L315 WeakPolarHBondContact O-CB 3.43Å; C312-L315 PolarHBondContact O-N 3.45Å; C312-L315 PolarHBondContact SG-N 3.43Å; C312-L315 VanDerWaalsContact SG-N 3.39Å; C312-C385 WeakPolarHBondContact CA-SG 3.39Å; C312-C385 HydrophobicContact CB-CB 3.98Å; C312-C385 WeakPolarHBondContact CB-SG 3.32Å; C312-C385 WeakPolarHBondContact SG-CA 3.11Å; C312-C385 WeakPolarHBondContact SG-CB 3Å; C312-C385 CovalentContact SG-SG 2.04Å; C312-C385 PolarHBondContact SG-SG 3.17Å; C312-V388 HydrophobicContact CB-CG1 3.73Å
313	A	97.3	Very high	96.9	Very high	75 Å²	75	48.7 Å²	48.7	62%	0.62	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-29.3	-179.2	0	0	0	0	0	113.2	K307 L315	K307-A313 WeakPolarHBondContact CE-O 3.48Å; K307-A313 PolarHBondContact NZ-O 3.3Å; A313-L315 VanDerWaalsContact C-N 3.34Å
314	N	96.7	Very high	95.9	Very high	128 Å²	128	54.3 Å²	54.3	68%	0.684	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	1.6	-178	-65	-16	0	0	0	113.6	C312 N316	C312-N314 PolarHBondContact O-N 3.3Å; N314-N316 PolarHBondContact O-N 2.6Å
315	L	97.8	Very high	94.9	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	26%	0.261	C	S	.	.			trans	-61.7	122.6	-179.8	-175.6	62.2	0	0	0	110.4	A306 K307 F310 C312 A313 G317 V388 M389	A306-L315 HydrophobicContact CB-CD2 3.67Å; K307-L315 WeakPolarHBondContact CE-O 3.49Å; K307-L315 HydrophobicContact CG-CB 3.89Å; F310-L315 HydrophobicContact CD2-CD2 3.95Å; C312-L315 HydrophobicContact CB-CB 4.13Å; C312-L315 WeakPolarHBondContact O-CB 3.43Å; C312-L315 PolarHBondContact O-N 3.45Å; C312-L315 PolarHBondContact SG-N 3.43Å; C312-L315 VanDerWaalsContact SG-N 3.39Å; A313-L315 VanDerWaalsContact C-N 3.34Å; L315-G317 WeakPolarHBondContact CD1-O 3.39Å; L315-G317 VanDerWaalsContact CG-O 3.29Å; L315-G317 WeakPolarHBondContact CG-O 2.93Å; L315-V388 HydrophobicContact CD1-CB 4.45Å; L315-V388 HydrophobicContact CD1-CG1 4.02Å; L315-V388 HydrophobicContact CD1-CG2 3.58Å; L315-V388 HydrophobicContact CD2-CG2 4.11Å; L315-V388 HydrophobicContact CG-CG2 4.49Å; L315-M389 HydrophobicContact CD1-CG 4.22Å
316	N	96.5	Very high	93.7	Very high	49 Å²	49	56 Å²	56	26%	0.262	28%	0.275	S	S	.	.			trans	-98.3	-0.8	-169.7	58.1	1.7	0	0	0	114.4	I279 R281 V298 N314	I279-N316 HydrophobicContact CD1-CB 4.29Å; I279-N316 WeakPolarHBondContact CD1-OD1 3.38Å; I279-N316 VanDerWaalsContact CG2-ND2 3.34Å; I279-N316 WeakPolarHBondContact CG2-ND2 3.06Å; R281-N316 PolarHBondContact NH2-OD1 3.11Å; V298-N316 WeakPolarHBondContact CG1-O 3.19Å; N314-N316 PolarHBondContact O-N 2.6Å
317	G	97.8	Very high	92.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	29%	0.288	C	S	.	.			trans	177	170.9	174.8	0	0	0	0	0	111.8	F297 L315	F297-G317 CarbonylContact O-C 3.51Å; F297-G317 WeakPolarHBondContact O-CA 3.23Å; L315-G317 WeakPolarHBondContact CD1-O 3.39Å; L315-G317 VanDerWaalsContact CG-O 3.29Å; L315-G317 WeakPolarHBondContact CG-O 2.93Å
318	A	98.4	Very high	92.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	111.1	169.6	0	0	0	0	0	109.1	S296 F297 I302 A306 W333 Y338	S296-A318 CarbonylContact C-O 3.53Å; S296-A318 VanDerWaalsContact CA-O 3.25Å; S296-A318 WeakPolarHBondContact CA-O 3.16Å; F297-A318 HydrophobicContact CB-CB 4.35Å; F297-A318 PolarHBondContact N-O 2.91Å; F297-A318 PolarHBondContact O-N 3.49Å; I302-A318 HydrophobicContact CG2-CB 3.52Å; A306-A318 HydrophobicContact CB-CB 4.25Å; A318-W333 HydrophobicContact CB-CE3 4.48Å; A318-W333 HydrophobicContact CB-CH2 4.32Å; A318-W333 HydrophobicContact CB-CZ3 3.82Å; A318-Y338 VanDerWaalsContact CB-OH 3.24Å; A318-Y338 WeakPolarHBondContact CB-OH 3.44Å
319	D	97.6	Very high	91.9	Very high	1 Å²	1	50.1 Å²	50.1	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.1	134.6	-173.5	-56.3	7.4	0	0	0	111.5	R281 F294 S296 E334 L337	R281-D319 IonicContact CZ-OD1 3.9Å; R281-D319 IonicContact CZ-OD2 2.62Å; R281-D319 IonicContact NH1-OD1 3.6Å; R281-D319 PolarHBondContact NH1-OD1 2.98Å; R281-D319 IonicContact NH1-OD2 2.66Å; R281-D319 PolarHBondContact NH1-OD2 3.19Å; R281-D319 IonicContact NH2-OD1 3.54Å; R281-D319 PolarHBondContact NH2-OD1 3.02Å; R281-D319 IonicContact NH2-OD2 3.91Å; F294-D319 HydrophobicContact CB-CB 4.45Å; F294-D319 HydrophobicContact CD1-CB 4.25Å; S296-D319 PolarHBondContact OG-OD1 2.99Å; D319-E334 HydrophobicContact CB-CB 3.88Å; D319-E334 HydrophobicContact CB-CG 4.38Å; D319-E334 PolarHBondContact O-N 3.14Å; D319-E334 VanDerWaalsContact O-N 3.13Å; D319-L337 HydrophobicContact CB-CD1 4.08Å
320	L	97.5	Very high	91.6	Very high	1 Å²	1	49 Å²	49	1%	0.005	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-89.6	159.2	169.2	-66.9	167.7	0	0	0	110.1	F235 F240 I276 Y295 F297 I329 H332 W333	F235-L320 HydrophobicContact CZ-CD2 4.37Å; F240-L320 HydrophobicContact CE2-CD1 4.04Å; I276-L320 HydrophobicContact CD1-CD1 3.74Å; I276-L320 HydrophobicContact CG1-CD1 4.31Å; Y295-L320 WeakPolarHBondContact O-CB 3.41Å; Y295-L320 PolarHBondContact O-N 3.43Å; F297-L320 HydrophobicContact CD2-CD1 3.99Å; F297-L320 HydrophobicContact CD2-CD2 3.84Å; F297-L320 HydrophobicContact CD2-CG 4.06Å; F297-L320 HydrophobicContact CE2-CD1 4Å; F297-L320 HydrophobicContact CE2-CD2 3.84Å; F297-L320 HydrophobicContact CE2-CG 4.33Å; L320-I329 HydrophobicContact CD1-CG2 3.7Å; L320-H332 CarbonylContact C-O 3.54Å; L320-H332 WeakPolarHBondContact CA-O 3.31Å; L320-H332 VanDerWaalsContact CD2-O 3.28Å; L320-H332 WeakPolarHBondContact CD2-O 3.23Å; L320-W333 HydrophobicContact CD2-CE3 3.73Å; L320-W333 HydrophobicContact CD2-CZ3 3.79Å
321	E	94.9	Very high	91.4	Very high	26 Å²	26	49.1 Å²	49.1	12%	0.121	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-53.6	146.6	173.7	-170.9	45.5	-110.2	0	0	110.7	Q323 Q325 H332 G335	E321-Q323 WeakPolarHBondContact OE1-CB 3.27Å; E321-Q323 PolarHBondContact OE1-N 3.26Å; E321-Q325 VanDerWaalsContact O-CD 3.25Å; E321-Q325 PolarHBondContact O-NE2 3.01Å; E321-Q325 PolarHBondContact O-OE1 3.21Å; E321-H332 HydrophobicContact CB-CB 3.9Å; E321-H332 PolarHBondContact N-O 3.38Å; E321-G335 PolarHBondContact OE2-N 2.66Å
322	N	90.8	Very high	91.3	Very high	48 Å²	48	40.8 Å²	40.8	26%	0.257	22%	0.223	S	C	.	.			trans	-128.3	5.8	-179.7	58.1	57	0	0	0	113.3	K292 F294 E334	K292-N322 WeakPolarHBondContact CE-ND2 3.41Å; K292-N322 PolarHBondContact NZ-ND2 3.02Å; K292-N322 PolarHBondContact NZ-OD1 3.5Å; K292-N322 VanDerWaalsContact NZ-OD1 3.14Å; F294-N322 WeakPolarHBondContact CD1-ND2 3.49Å; F294-N322 VanDerWaalsContact CE1-ND2 3.34Å; F294-N322 WeakPolarHBondContact CE1-ND2 3.29Å; N322-E334 PolarHBondContact ND2-OE2 2.78Å
323	Q	85	Confident	91.3	Very high	111 Å²	111	40.8 Å²	40.8	52%	0.519	22%	0.223	S	C	.	.	S	Bend	trans	-119.8	147	179	-54.4	-173.2	-16.1	0	0	111.3	E321 Q325	E321-Q323 WeakPolarHBondContact OE1-CB 3.27Å; E321-Q323 PolarHBondContact OE1-N 3.26Å; Q323-Q325 PolarHBondContact O-N 3.18Å
324	H	77.3	Confident	91.2	Very high	184 Å²	184	37.8 Å²	37.8	85%	0.852	20%	0.196	S	C	*	.	S	Bend	trans	55.5	26.9	171.3	-52.4	-66.1	0	0	0	116
325	Q	77.5	Confident	91.1	Very high	38 Å²	38	33 Å²	33	18%	0.178	18%	0.178	C	C	.	.			trans	-108.5	154.5	179.5	68.4	-149.8	16.7	0	0	113.2	E321 Q323 G327 E328	E321-Q325 VanDerWaalsContact O-CD 3.25Å; E321-Q325 PolarHBondContact O-NE2 3.01Å; E321-Q325 PolarHBondContact O-OE1 3.21Å; Q323-Q325 PolarHBondContact O-N 3.18Å; Q325-G327 PolarHBondContact O-N 2.83Å; Q325-E328 PolarHBondContact NE2-O 3.32Å
326	T	72.2	Confident	90.9	Very high	70 Å²	70	34.8 Å²	34.8	43%	0.429	18%	0.184	S	C	.	.	S	Bend	trans	-82.4	104.2	170.3	44.4	0	0	0	0	110.2	S30	S30-T326 PolarHBondContact OG-OG1 3.14Å
327	G	81.1	Confident	90.9	Very high	27 Å²	27	32.5 Å²	32.5	28%	0.278	17%	0.172	S	C	.	.	S	Bend	trans	101.5	-173.1	173.5	0	0	0	0	0	115.2	Q325	Q325-G327 PolarHBondContact O-N 2.83Å
328	E	85.2	Confident	90.9	Very high	73 Å²	73	32.6 Å²	32.6	34%	0.341	17%	0.172	S	C	.	.	S	Bend	trans	-72.4	-36.2	-172.9	-64.8	-176.1	-167.8	0	0	112.3	Y295 Q325	Y295-E328 WeakPolarHBondContact CD2-O 3.43Å; Y295-E328 HydrophobicContact CE2-CB 3.9Å; Y295-E328 WeakPolarHBondContact CE2-O 3.38Å; Y295-E328 PolarHBondContact OH-OE2 2.77Å; Q325-E328 PolarHBondContact NE2-O 3.32Å
329	I	91.9	Very high	90.7	Very high	12 Å²	12	33.9 Å²	33.9	6%	0.062	18%	0.181	C	C	.	.	S	Bend	trans	-106.6	122.8	-176.8	-62.1	175.6	0	0	0	109.3	S237 F240 L270 P271 I276 Y295 L320	S237-I329 VanDerWaalsContact CB-O 3.3Å; S237-I329 WeakPolarHBondContact CB-O 3.45Å; F240-I329 HydrophobicContact CD2-CG2 4.02Å; F240-I329 HydrophobicContact CE2-CG2 4.22Å; L270-I329 HydrophobicContact CD2-CD1 3.9Å; P271-I329 VanDerWaalsContact CD-CD1 3.48Å; P271-I329 HydrophobicContact CG-CD1 3.71Å; I276-I329 HydrophobicContact CD1-CG2 4.04Å; I276-I329 HydrophobicContact CG2-CD1 4.02Å; I276-I329 HydrophobicContact CG2-CG1 4.47Å; Y295-I329 HydrophobicContact CD1-CD1 4.18Å; Y295-I329 HydrophobicContact CD1-CG1 3.68Å; Y295-I329 HydrophobicContact CD2-CG1 4.46Å; Y295-I329 HydrophobicContact CE1-CG1 4.1Å; Y295-I329 HydrophobicContact CG-CG1 3.87Å; L320-I329 HydrophobicContact CD1-CG2 3.7Å
330	G	92.4	Very high	90.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.185	C	C	.	.			trans	-73	155.6	175.6	0	0	0	0	0	113.3
331	S	94.7	Very high	90.6	Very high	4 Å²	4	34.5 Å²	34.5	3%	0.028	19%	0.185	C	C	.	.	S	Bend	trans	-96.8	7.6	173.8	-65	0	0	0	0	113	H231 F235 S236 S237	H231-S331 PolarHBondContact CE1-O 3.33Å; F235-S331 WeakPolarHBondContact CD1-O 3.28Å; F235-S331 WeakPolarHBondContact CE1-O 3.45Å; S236-S331 PolarHBondContact OG-OG 2.91Å; S237-S331 PolarHBondContact N-OG 2.02Å; S237-S331 PolarHBondContact OG-OG 3.43Å
332	H	96.3	Very high	90.8	Very high	8 Å²	8	33.3 Å²	33.3	4%	0.037	18%	0.179	C	C	.	.	S	Bend	trans	-124.2	160.5	178.9	-58.7	119.9	0	0	0	110.7	H227 H231 L320 E321 M343	H227-H332 AromaticContact CE1-CD2 3.49Å; H227-H332 PolarHBondContact CE1-CD2 2.97Å; H227-H332 VanDerWaalsContact CE1-CD2 3.49Å; H227-H332 AromaticContact CE1-NE2 3.64Å; H227-H332 AromaticContact NE2-CD2 3.88Å; H227-H332 AromaticContact NE2-NE2 3.54Å; H231-H332 AromaticContact CE1-CD2 3.44Å; H231-H332 PolarHBondContact CE1-CD2 3.1Å; H231-H332 VanDerWaalsContact CE1-CD2 3.44Å; H231-H332 AromaticContact CE1-NE2 3.48Å; H231-H332 PolarHBondContact CE1-NE2 2.82Å; H231-H332 AromaticContact NE2-CD2 3.44Å; H231-H332 PolarHBondContact NE2-CD2 3.48Å; H231-H332 AromaticContact NE2-NE2 3.15Å; H231-H332 PolarHBondContact NE2-NE2 3.33Å; H231-H332 VanDerWaalsContact NE2-NE2 3.15Å; L320-H332 CarbonylContact C-O 3.54Å; L320-H332 WeakPolarHBondContact CA-O 3.31Å; L320-H332 VanDerWaalsContact CD2-O 3.28Å; L320-H332 WeakPolarHBondContact CD2-O 3.23Å; E321-H332 HydrophobicContact CB-CB 3.9Å; E321-H332 PolarHBondContact N-O 3.38Å; H332-M343 CarbonylContact C-O 3.43Å; H332-M343 VanDerWaalsContact CA-O 3.29Å; H332-M343 WeakPolarHBondContact CA-O 3.45Å; H332-M343 WeakPolarHBondContact CB-O 3.37Å
333	W	97.6	Very high	91.1	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-69.2	147.9	163.6	-64.9	131.3	0	0	0	111.5	F235 F297 I302 A318 L320 G335 Y338 E341 M343 V356 T357 F360	F235-W333 HydrophobicContact CE2-CD2 4.35Å; F235-W333 AromaticContact CE2-CE2 3.54Å; F235-W333 AromaticContact CE2-CH2 3.96Å; F235-W333 HydrophobicContact CE2-CH2 3.96Å; F235-W333 AromaticContact CE2-CZ2 3.33Å; F235-W333 HydrophobicContact CE2-CZ2 3.33Å; F235-W333 AromaticContact CE2-NE1 3.85Å; F235-W333 AromaticContact CZ-CD2 3.7Å; F235-W333 HydrophobicContact CZ-CD2 3.7Å; F235-W333 AromaticContact CZ-CE2 3.36Å; F235-W333 HydrophobicContact CZ-CE3 4.16Å; F235-W333 HydrophobicContact CZ-CG 4.23Å; F235-W333 AromaticContact CZ-CH2 3.97Å; F235-W333 HydrophobicContact CZ-CH2 3.97Å; F235-W333 AromaticContact CZ-CZ2 3.52Å; F235-W333 HydrophobicContact CZ-CZ2 3.52Å; F235-W333 HydrophobicContact CZ-CZ3 4.29Å; F235-W333 AromaticContact CZ-NE1 3.72Å; F297-W333 HydrophobicContact CB-CH2 4.48Å; F297-W333 HydrophobicContact CB-CZ3 4.41Å; F297-W333 AromaticContact CD2-CH2 3.6Å; F297-W333 HydrophobicContact CD2-CH2 3.6Å; F297-W333 AromaticContact CD2-CZ3 3.55Å; F297-W333 HydrophobicContact CD2-CZ3 3.55Å; F297-W333 HydrophobicContact CE2-CH2 4.16Å; F297-W333 HydrophobicContact CE2-CZ3 4.3Å; F297-W333 HydrophobicContact CG-CH2 4.32Å; F297-W333 HydrophobicContact CG-CZ3 4.4Å; I302-W333 HydrophobicContact CD1-CH2 4.4Å; I302-W333 HydrophobicContact CG2-CH2 3.75Å; I302-W333 HydrophobicContact CG2-CZ2 4.48Å; I302-W333 HydrophobicContact CG2-CZ3 4.42Å; A318-W333 HydrophobicContact CB-CE3 4.48Å; A318-W333 HydrophobicContact CB-CH2 4.32Å; A318-W333 HydrophobicContact CB-CZ3 3.82Å; L320-W333 HydrophobicContact CD2-CE3 3.73Å; L320-W333 HydrophobicContact CD2-CZ3 3.79Å; W333-G335 PolarHBondContact O-N 3.14Å; W333-G335 VanDerWaalsContact O-N 3.12Å; W333-Y338 HydrophobicContact CB-CD1 4.05Å; W333-Y338 HydrophobicContact CB-CD2 3.59Å; W333-Y338 HydrophobicContact CB-CE2 4.2Å; W333-Y338 HydrophobicContact CB-CG 3.49Å; W333-Y338 VanDerWaalsContact CB-CG 3.49Å; W333-Y338 HydrophobicContact CD2-CE1 4.47Å; W333-Y338 HydrophobicContact CE3-CE2 4.49Å; W333-Y338 HydrophobicContact CG-CD1 4.04Å; W333-Y338 HydrophobicContact CG-CD2 4.28Å; W333-Y338 HydrophobicContact CG-CE1 4.37Å; W333-Y338 AromaticContact CG-CG 4Å; W333-Y338 HydrophobicContact CG-CG 4Å; W333-E341 PolarHBondContact NE1-OE2 3.28Å; W333-M343 HydrophobicContact CG-CB 4.42Å; W333-M343 PolarHBondContact N-O 3.28Å; W333-V356 HydrophobicContact CH2-CG1 4.28Å; W333-V356 HydrophobicContact CZ2-CG1 3.84Å; W333-T357 PolarHBondContact NE1-OG1 3.49Å; W333-F360 HydrophobicContact CZ2-CB 4.47Å
334	E	95.8	Very high	91.6	Very high	12 Å²	12	25.8 Å²	25.8	6%	0.056	14%	0.143	C	C	.	.			trans	-56.4	113	177.9	166.1	59.7	-121.7	0	0	111.6	D319 N322 R336 L337 Y338	D319-E334 HydrophobicContact CB-CB 3.88Å; D319-E334 HydrophobicContact CB-CG 4.38Å; D319-E334 PolarHBondContact O-N 3.14Å; D319-E334 VanDerWaalsContact O-N 3.13Å; N322-E334 PolarHBondContact ND2-OE2 2.78Å; E334-R336 HydrophobicContact CG-CB 4.29Å; E334-R336 PolarHBondContact O-N 3.11Å; E334-R336 VanDerWaalsContact O-N 3.12Å; E334-R336 VanDerWaalsContact OE1-CB 3.23Å; E334-R336 WeakPolarHBondContact OE1-CB 3.35Å; E334-R336 PolarHBondContact OE1-N 2.96Å; E334-L337 HydrophobicContact CG-CB 4.25Å; E334-L337 HydrophobicContact CG-CD1 4.15Å; E334-L337 HydrophobicContact CG-CG 4.08Å; E334-L337 PolarHBondContact O-N 2.85Å; E334-Y338 HydrophobicContact CB-CD2 4.4Å; E334-Y338 WeakPolarHBondContact O-CD2 3.43Å; E334-Y338 PolarHBondContact O-N 2.71Å
335	G	94.1	Very high	92	Very high	29 Å²	29	17.7 Å²	17.7	30%	0.299	11%	0.109	S	C	.	.	H	α-helix	trans	-56.4	-36.6	-170.4	0	0	0	0	0	113.4	E321 W333 L337 S339	E321-G335 PolarHBondContact OE2-N 2.66Å; W333-G335 PolarHBondContact O-N 3.14Å; W333-G335 VanDerWaalsContact O-N 3.12Å; G335-L337 VanDerWaalsContact C-N 3.26Å; G335-L337 PolarHBondContact O-N 2.68Å; G335-S339 WeakPolarHBondContact O-CA 3.36Å; G335-S339 PolarHBondContact O-N 3.47Å
336	R	94.7	Very high	92.6	Very high	38 Å²	38	20.7 Å²	20.7	14%	0.143	12%	0.119	C	C	.	.	H	α-helix	trans	-58.9	-38.2	177.3	-174.6	-166.4	69.9	90.9	-13.8	112.7	E334 Y379 F387 V388 K390 C392	E334-R336 HydrophobicContact CG-CB 4.29Å; E334-R336 PolarHBondContact O-N 3.11Å; E334-R336 VanDerWaalsContact O-N 3.12Å; E334-R336 VanDerWaalsContact OE1-CB 3.23Å; E334-R336 WeakPolarHBondContact OE1-CB 3.35Å; E334-R336 PolarHBondContact OE1-N 2.96Å; R336-Y379 WeakPolarHBondContact O-CE1 2.98Å; R336-Y379 PolarHBondContact O-OH 3.22Å; R336-F387 PolarHBondContact NH1-O 3.39Å; R336-V388 PolarHBondContact NH2-O 3.36Å; R336-K390 PolarHBondContact NH1-O 2.76Å; R336-K390 PolarHBondContact NH2-O 2.9Å; R336-C392 VanDerWaalsContact CD-SG 3.52Å
337	L	96.7	Very high	93.5	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-92.2	-29.7	-173.2	-72.6	179.8	0	0	0	113.1	F310 D319 E334 G335 Y379 F387 V388	F310-L337 HydrophobicContact CZ-CB 4.36Å; D319-L337 HydrophobicContact CB-CD1 4.08Å; E334-L337 HydrophobicContact CG-CB 4.25Å; E334-L337 HydrophobicContact CG-CD1 4.15Å; E334-L337 HydrophobicContact CG-CG 4.08Å; E334-L337 PolarHBondContact O-N 2.85Å; G335-L337 VanDerWaalsContact C-N 3.26Å; G335-L337 PolarHBondContact O-N 2.68Å; L337-Y379 WeakPolarHBondContact O-CD1 3.34Å; L337-Y379 WeakPolarHBondContact O-CE1 2.98Å; L337-F387 HydrophobicContact CD2-CD1 4.28Å; L337-F387 HydrophobicContact CD2-CE1 3.9Å; L337-V388 HydrophobicContact CD1-CG2 3.91Å; L337-V388 HydrophobicContact CD2-CB 4.18Å; L337-V388 HydrophobicContact CD2-CG2 3.97Å
338	Y	97	Very high	94	Very high	1 Å²	1	18 Å²	18	0%	0.004	9%	0.094	C	C	.	.	H	α-helix	trans	-106.8	-24.6	-170	-69.5	-88.9	0	0	0	113.4	F310 A318 W333 E334 N340 E341 V356 W377	F310-Y338 HydrophobicContact CE2-CE1 4.34Å; F310-Y338 HydrophobicContact CZ-CE1 4.25Å; A318-Y338 VanDerWaalsContact CB-OH 3.24Å; A318-Y338 WeakPolarHBondContact CB-OH 3.44Å; W333-Y338 HydrophobicContact CB-CD1 4.05Å; W333-Y338 HydrophobicContact CB-CD2 3.59Å; W333-Y338 HydrophobicContact CB-CE2 4.2Å; W333-Y338 HydrophobicContact CB-CG 3.49Å; W333-Y338 VanDerWaalsContact CB-CG 3.49Å; W333-Y338 HydrophobicContact CD2-CE1 4.47Å; W333-Y338 HydrophobicContact CE3-CE2 4.49Å; W333-Y338 HydrophobicContact CG-CD1 4.04Å; W333-Y338 HydrophobicContact CG-CD2 4.28Å; W333-Y338 HydrophobicContact CG-CE1 4.37Å; W333-Y338 AromaticContact CG-CG 4Å; W333-Y338 HydrophobicContact CG-CG 4Å; E334-Y338 HydrophobicContact CB-CD2 4.4Å; E334-Y338 WeakPolarHBondContact O-CD2 3.43Å; E334-Y338 PolarHBondContact O-N 2.71Å; Y338-N340 PolarHBondContact O-N 3.22Å; Y338-E341 HydrophobicContact CD1-CB 4.25Å; Y338-E341 HydrophobicContact CD1-CG 4.18Å; Y338-E341 VanDerWaalsContact O-CB 3.3Å; Y338-E341 WeakPolarHBondContact O-CB 3.2Å; Y338-E341 PolarHBondContact O-N 3.4Å; Y338-V356 HydrophobicContact CE1-CB 4.34Å; Y338-V356 HydrophobicContact CE1-CG1 3.92Å; Y338-V356 HydrophobicContact CE1-CG2 4.34Å; Y338-W377 AromaticContact CD1-CH2 3.41Å; Y338-W377 HydrophobicContact CD1-CH2 3.41Å; Y338-W377 VanDerWaalsContact CD1-CH2 3.41Å; Y338-W377 HydrophobicContact CD1-CZ2 4.02Å; Y338-W377 HydrophobicContact CD1-CZ3 4.04Å; Y338-W377 AromaticContact CE1-CH2 3.82Å; Y338-W377 HydrophobicContact CE1-CH2 3.82Å; Y338-W377 HydrophobicContact CE1-CZ3 4.17Å; Y338-W377 HydrophobicContact CG-CH2 4.21Å; Y338-W377 WeakPolarHBondContact O-CZ2 3.41Å; Y338-W377 PolarHBondContact O-NE1 3.44Å
339	S	94.9	Very high	94.2	Very high	27 Å²	27	16.3 Å²	16.3	19%	0.189	9%	0.089	C	C	.	.	T	Hydrogen-bonded Turn	trans	45.1	-103.4	173.6	-174.1	0	0	0	0	114.2	G335 E341 A344 Q348 Y379	G335-S339 WeakPolarHBondContact O-CA 3.36Å; G335-S339 PolarHBondContact O-N 3.47Å; S339-E341 VanDerWaalsContact C-N 3.29Å; S339-E341 PolarHBondContact O-N 3.35Å; S339-A344 WeakPolarHBondContact O-CB 3.18Å; S339-Q348 VanDerWaalsContact C-NE2 3.28Å; S339-Q348 PolarHBondContact O-NE2 2.9Å; S339-Q348 PolarHBondContact OG-NE2 2.72Å; S339-Q348 VanDerWaalsContact OG-NE2 3.16Å; S339-Y379 VanDerWaalsContact CB-CD1 3.41Å; S339-Y379 VanDerWaalsContact CB-CE1 3.47Å
340	N	95.6	Very high	94.2	Very high	15 Å²	15	20 Å²	20	8%	0.08	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	14.6	-179.5	66.2	-30.7	0	0	0	113.3	Y338 Q348 D350 Y351 S352 W377 Y379	Y338-N340 PolarHBondContact O-N 3.22Å; N340-Q348 HydrophobicContact CB-CB 4.23Å; N340-Q348 HydrophobicContact CB-CG 4.38Å; N340-D350 PolarHBondContact ND2-O 3.29Å; N340-D350 PolarHBondContact ND2-OD2 2.76Å; N340-Y351 CarbonylContact O-C 3.55Å; N340-Y351 VanDerWaalsContact O-CA 3.23Å; N340-Y351 WeakPolarHBondContact O-CA 3.18Å; N340-S352 PolarHBondContact O-N 3.13Å; N340-W377 PolarHBondContact OD1-NE1 3.46Å; N340-W377 VanDerWaalsContact OD1-NE1 3.15Å; N340-Y379 WeakPolarHBondContact OD1-CB 3.46Å
341	E	97.7	Very high	94.4	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.005	11%	0.114	C	C	.	.	B	Isolated β-bridge	trans	-68	137.5	167.6	-147.8	-70.2	152.4	0	0	110.1	W333 Y338 S339 M343 A344 S354 T357 W377	W333-E341 PolarHBondContact NE1-OE2 3.28Å; Y338-E341 HydrophobicContact CD1-CB 4.25Å; Y338-E341 HydrophobicContact CD1-CG 4.18Å; Y338-E341 VanDerWaalsContact O-CB 3.3Å; Y338-E341 WeakPolarHBondContact O-CB 3.2Å; Y338-E341 PolarHBondContact O-N 3.4Å; S339-E341 VanDerWaalsContact C-N 3.29Å; S339-E341 PolarHBondContact O-N 3.35Å; E341-M343 VanDerWaalsContact C-N 3.27Å; E341-M343 PolarHBondContact O-N 3Å; E341-M343 VanDerWaalsContact O-N 3.13Å; E341-M343 PolarHBondContact OE2-N 2.86Å; E341-A344 VanDerWaalsContact O-CB 3.29Å; E341-A344 WeakPolarHBondContact O-CB 3.12Å; E341-A344 PolarHBondContact O-N 2.95Å; E341-S354 VanDerWaalsContact CD-OG 3.31Å; E341-S354 WeakPolarHBondContact CG-OG 3.38Å; E341-S354 WeakPolarHBondContact OE1-CB 3.46Å; E341-S354 PolarHBondContact OE1-N 3.21Å; E341-S354 PolarHBondContact OE1-OG 2.82Å; E341-T357 WeakPolarHBondContact OE1-CB 3.15Å; E341-T357 PolarHBondContact OE1-OG1 2.92Å; E341-T357 PolarHBondContact OE2-OG1 2.97Å; E341-W377 HydrophobicContact CB-CZ2 4.23Å; E341-W377 HydrophobicContact CG-CD2 4.18Å; E341-W377 HydrophobicContact CG-CE3 4.33Å; E341-W377 HydrophobicContact CG-CZ2 4.44Å; E341-W377 HydrophobicContact CG-CZ3 4.5Å
342	I	97.6	Very high	94.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.5	-169.7	-162.9	59.9	0	0	0	114.9	G223 L226 H227 I347 Y351 S352 V353 T357	G223-I342 VanDerWaalsContact O-CD1 3.25Å; G223-I342 WeakPolarHBondContact O-CD1 3.46Å; L226-I342 HydrophobicContact CB-CD1 3.95Å; L226-I342 HydrophobicContact CB-CG1 3.97Å; H227-I342 HydrophobicContact CB-CD1 4.37Å; H227-I342 HydrophobicContact CB-CG1 4.32Å; H227-I342 PolarHBondContact ND1-O 2.72Å; I342-I347 HydrophobicContact CD1-CD1 4.45Å; I342-I347 VanDerWaalsContact O-CD1 3.31Å; I342-I347 WeakPolarHBondContact O-CD1 3.47Å; I342-Y351 HydrophobicContact CD1-CD2 3.63Å; I342-Y351 HydrophobicContact CD1-CE2 4.4Å; I342-Y351 HydrophobicContact CD1-CG 3.94Å; I342-S352 PolarHBondContact N-O 2.8Å; I342-V353 HydrophobicContact CB-CG2 4.05Å; I342-V353 HydrophobicContact CG1-CG2 4.06Å; I342-V353 HydrophobicContact CG2-CB 4.14Å; I342-V353 HydrophobicContact CG2-CG1 4.14Å; I342-V353 HydrophobicContact CG2-CG2 3.96Å; I342-T357 HydrophobicContact CG2-CG2 3.89Å
343	M	97.4	Very high	94.6	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98	10.7	179.5	-58.6	-51.5	-51.9	0	0	113	H231 F235 H332 W333 E341 T357	H231-M343 WeakPolarHBondContact CE1-CE 3.38Å; F235-M343 HydrophobicContact CB-CE 3.84Å; F235-M343 HydrophobicContact CD1-CB 4.15Å; F235-M343 HydrophobicContact CD1-CE 3.56Å; F235-M343 HydrophobicContact CD1-CG 4.24Å; F235-M343 HydrophobicContact CD2-CB 4.49Å; F235-M343 HydrophobicContact CD2-CG 4.07Å; F235-M343 HydrophobicContact CE1-CB 3.92Å; F235-M343 HydrophobicContact CE1-CE 4.35Å; F235-M343 HydrophobicContact CE1-CG 4.42Å; F235-M343 HydrophobicContact CE2-CB 4.3Å; F235-M343 HydrophobicContact CE2-CG 4.28Å; F235-M343 HydrophobicContact CG-CB 4.47Å; F235-M343 HydrophobicContact CG-CE 3.76Å; F235-M343 HydrophobicContact CG-CG 4.1Å; F235-M343 HydrophobicContact CG-SD 4.49Å; F235-M343 HydrophobicContact CZ-CB 4.02Å; F235-M343 HydrophobicContact CZ-CG 4.46Å; H332-M343 CarbonylContact C-O 3.43Å; H332-M343 VanDerWaalsContact CA-O 3.29Å; H332-M343 WeakPolarHBondContact CA-O 3.45Å; H332-M343 WeakPolarHBondContact CB-O 3.37Å; W333-M343 HydrophobicContact CG-CB 4.42Å; W333-M343 PolarHBondContact N-O 3.28Å; E341-M343 VanDerWaalsContact C-N 3.27Å; E341-M343 PolarHBondContact O-N 3Å; E341-M343 VanDerWaalsContact O-N 3.13Å; E341-M343 PolarHBondContact OE2-N 2.86Å; M343-T357 HydrophobicContact CG-CG2 3.51Å; M343-T357 WeakPolarHBondContact CG-OG1 3Å; M343-T357 HydrophobicContact SD-CG2 4.49Å
344	A	95	Very high	94.6	Very high	1 Å²	1	21 Å²	21	1%	0.008	11%	0.112	C	C	.	.	B	Isolated β-bridge	trans	-69.7	150.3	160.3	0	0	0	0	0	109.5	H227 S339 E341 R346	H227-A344 PolarHBondContact CE1-O 2.95Å; S339-A344 WeakPolarHBondContact O-CB 3.18Å; E341-A344 VanDerWaalsContact O-CB 3.29Å; E341-A344 WeakPolarHBondContact O-CB 3.12Å; E341-A344 PolarHBondContact O-N 2.95Å; A344-R346 PolarHBondContact O-N 3.09Å
345	G	87.5	Confident	94.8	Very high	15 Å²	15	26.7 Å²	26.7	16%	0.155	13%	0.133	C	C	.	.	S	Bend	trans	-69.2	-3.2	-174.6	0	0	0	0	0	115.8	C25	C25-G345 PolarHBondContact N-O 2.93Å
346	R	89.7	Confident	95	Very high	101 Å²	101	25.4 Å²	25.4	38%	0.381	12%	0.12	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	111.4	179	-174.9	-178	-175.7	-157.5	0.7	109.9	T22 S23 F24 A344	T22-R346 VanDerWaalsContact CG2-NH2 3.27Å; T22-R346 PolarHBondContact OG1-NE 3.29Å; T22-R346 PolarHBondContact OG1-NH2 3.1Å; S23-R346 CarbonylContact O-C 3.54Å; S23-R346 WeakPolarHBondContact O-CA 3.48Å; F24-R346 HydrophobicContact CD1-CB 4.38Å; F24-R346 HydrophobicContact CE1-CB 4.13Å; F24-R346 HydrophobicContact CE1-CG 4.33Å; F24-R346 HydrophobicContact CZ-CG 4.28Å; A344-R346 PolarHBondContact O-N 3.09Å
347	I	90.9	Very high	95.2	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	137.5	178.1	-48.8	-52.2	0	0	0	109.5	T22 S23 N220 I224 H227 I342	T22-I347 VanDerWaalsContact CA-O 3.22Å; T22-I347 WeakPolarHBondContact CA-O 3.29Å; S23-I347 PolarHBondContact N-O 2.77Å; S23-I347 PolarHBondContact O-N 2.88Å; N220-I347 WeakPolarHBondContact OD1-CB 3.36Å; N220-I347 VanDerWaalsContact OD1-CG2 3.31Å; N220-I347 WeakPolarHBondContact OD1-CG2 3.37Å; N220-I347 PolarHBondContact OD1-O 2.88Å; I224-I347 HydrophobicContact CG1-CB 4.15Å; I224-I347 HydrophobicContact CG1-CG1 4.1Å; I224-I347 HydrophobicContact CG1-CG2 4.26Å; H227-I347 HydrophobicContact CB-CD1 3.77Å; H227-I347 HydrophobicContact CB-CG1 4.31Å; I342-I347 HydrophobicContact CD1-CD1 4.45Å; I342-I347 VanDerWaalsContact O-CD1 3.31Å; I342-I347 WeakPolarHBondContact O-CD1 3.47Å
348	Q	90.8	Very high	95.3	Very high	38 Å²	38	23.5 Å²	23.5	18%	0.178	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	156.6	-177.3	-53.5	-174.2	44.7	0	0	109.2	T22 S339 N340 D350 Y351	T22-Q348 HydrophobicContact CG2-CB 4.48Å; T22-Q348 HydrophobicContact CG2-CG 3.94Å; S339-Q348 VanDerWaalsContact C-NE2 3.28Å; S339-Q348 PolarHBondContact O-NE2 2.9Å; S339-Q348 PolarHBondContact OG-NE2 2.72Å; S339-Q348 VanDerWaalsContact OG-NE2 3.16Å; N340-Q348 HydrophobicContact CB-CB 4.23Å; N340-Q348 HydrophobicContact CB-CG 4.38Å; Q348-D350 WeakPolarHBondContact CB-OD1 3.48Å; Q348-D350 PolarHBondContact O-N 3.49Å; Q348-D350 VanDerWaalsContact O-N 3.14Å; Q348-Y351 WeakPolarHBondContact O-CB 3.5Å; Q348-Y351 WeakPolarHBondContact O-CD1 3.29Å; Q348-Y351 PolarHBondContact O-N 3.09Å
349	V	90.3	Very high	95.4	Very high	37 Å²	37	23.5 Å²	23.5	22%	0.224	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-23.8	-179.7	-67.3	0	0	0	0	114.3	S21 P216 N220	S21-V349 WeakPolarHBondContact OG-CG1 3.5Å; P216-V349 HydrophobicContact CB-CG1 4.41Å; N220-V349 HydrophobicContact CB-CG1 4.27Å
350	D	91.4	Very high	95.6	Very high	91 Å²	91	22.2 Å²	22.2	49%	0.487	10%	0.104	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	31	177.1	72.6	-36.8	0	0	0	111.9	N340 Q348	N340-D350 PolarHBondContact ND2-O 3.29Å; N340-D350 PolarHBondContact ND2-OD2 2.76Å; Q348-D350 WeakPolarHBondContact CB-OD1 3.48Å; Q348-D350 PolarHBondContact O-N 3.49Å; Q348-D350 VanDerWaalsContact O-N 3.14Å
351	Y	95.8	Very high	95.7	Very high	29 Å²	29	21.5 Å²	21.5	11%	0.114	10%	0.1	C	C	.	.			trans	-52.6	154.5	179.2	67.7	-94	0	0	0	112.7	R219 L226 N340 I342 Q348 M375	R219-Y351 WeakPolarHBondContact O-CE1 3.14Å; L226-Y351 HydrophobicContact CD1-CD2 4.25Å; L226-Y351 HydrophobicContact CD1-CE2 3.41Å; L226-Y351 VanDerWaalsContact CD1-CE2 3.41Å; N340-Y351 CarbonylContact O-C 3.55Å; N340-Y351 VanDerWaalsContact O-CA 3.23Å; N340-Y351 WeakPolarHBondContact O-CA 3.18Å; I342-Y351 HydrophobicContact CD1-CD2 3.63Å; I342-Y351 HydrophobicContact CD1-CE2 4.4Å; I342-Y351 HydrophobicContact CD1-CG 3.94Å; Q348-Y351 WeakPolarHBondContact O-CB 3.5Å; Q348-Y351 WeakPolarHBondContact O-CD1 3.29Å; Q348-Y351 PolarHBondContact O-N 3.09Å; Y351-M375 HydrophobicContact CD2-SD 4.25Å; Y351-M375 HydrophobicContact CE2-CE 4.09Å; Y351-M375 HydrophobicContact CE2-SD 3.97Å
352	S	97.6	Very high	95.7	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.007	11%	0.107	C	C	.	.	B	Isolated β-bridge	trans	-139.9	122.8	176.2	170.4	0	0	0	0	112.1	N340 I342 S354 M375 K376 W377	N340-S352 PolarHBondContact O-N 3.13Å; I342-S352 PolarHBondContact N-O 2.8Å; S352-S354 PolarHBondContact O-N 3.5Å; S352-M375 WeakPolarHBondContact OG-CB 3.18Å; S352-K376 PolarHBondContact OG-O 2.89Å; S352-W377 WeakPolarHBondContact OG-CB 3.11Å
353	V	98.5	Very high	95.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	11%	0.109	C	C	.	.			trans	-73.5	92.6	161.6	-171.1	0	0	0	0	108.6	F83 W84 L226 I342 T357 L358 M375	F83-V353 HydrophobicContact CE1-CB 4.08Å; F83-V353 HydrophobicContact CE1-CG1 3.77Å; F83-V353 HydrophobicContact CE1-CG2 3.82Å; F83-V353 HydrophobicContact CE2-CB 4.5Å; F83-V353 HydrophobicContact CE2-CG2 4.37Å; F83-V353 HydrophobicContact CZ-CB 3.65Å; F83-V353 HydrophobicContact CZ-CG1 3.66Å; F83-V353 HydrophobicContact CZ-CG2 3.7Å; W84-V353 HydrophobicContact CH2-CG1 4.1Å; L226-V353 HydrophobicContact CD1-CG2 4.16Å; I342-V353 HydrophobicContact CB-CG2 4.05Å; I342-V353 HydrophobicContact CG1-CG2 4.06Å; I342-V353 HydrophobicContact CG2-CB 4.14Å; I342-V353 HydrophobicContact CG2-CG1 4.14Å; I342-V353 HydrophobicContact CG2-CG2 3.96Å; V353-T357 HydrophobicContact CG1-CG2 4.36Å; V353-L358 HydrophobicContact CG1-CD2 4.04Å; V353-L358 HydrophobicContact CG1-CG 4.13Å; V353-M375 HydrophobicContact CB-CG 4.33Å; V353-M375 HydrophobicContact CB-SD 4.18Å; V353-M375 HydrophobicContact CG2-CE 4.04Å; V353-M375 HydrophobicContact CG2-SD 3.98Å; V353-M375 PolarHBondContact N-SD 3.27Å; V353-M375 PolarHBondContact O-N 2.83Å
354	S	98.5	Very high	95.9	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.014	11%	0.109	C	C	.	.			trans	-78.8	170.8	-173.1	77.8	0	0	0	0	112.5	E341 S352 V356 T357 L358	E341-S354 VanDerWaalsContact CD-OG 3.31Å; E341-S354 WeakPolarHBondContact CG-OG 3.38Å; E341-S354 WeakPolarHBondContact OE1-CB 3.46Å; E341-S354 PolarHBondContact OE1-N 3.21Å; E341-S354 PolarHBondContact OE1-OG 2.82Å; S352-S354 PolarHBondContact O-N 3.5Å; S354-V356 PolarHBondContact O-N 2.81Å; S354-V356 WeakPolarHBondContact OG-CB 3.38Å; S354-V356 PolarHBondContact OG-N 2.84Å; S354-T357 PolarHBondContact O-N 3.22Å; S354-T357 PolarHBondContact OG-N 3.09Å; S354-L358 WeakPolarHBondContact O-CG 3.43Å; S354-L358 PolarHBondContact O-N 3.41Å
355	R	98.6	Very high	96	Very high	131 Å²	131	23.9 Å²	23.9	49%	0.494	11%	0.114	S	C	.	.	H	α-helix	trans	-60.9	-22.9	167.8	-70.6	-177	168.1	-94.9	-2.7	113	S359 Y371 A374	R355-S359 VanDerWaalsContact O-CB 3.25Å; R355-S359 WeakPolarHBondContact O-CB 3.14Å; R355-S359 PolarHBondContact O-N 3.12Å; R355-S359 PolarHBondContact O-OG 2.92Å; R355-S359 VanDerWaalsContact O-OG 3.12Å; R355-Y371 HydrophobicContact CG-CD1 4.23Å; R355-A374 HydrophobicContact CG-CB 3.63Å
356	V	98.6	Very high	96.5	Very high	2 Å²	2	23.4 Å²	23.4	1%	0.012	11%	0.107	C	C	.	.	H	α-helix	trans	-70.4	-52	177.7	-175.1	0	0	0	0	110	I302 A305 W333 Y338 S354 L358 S359 F360 W377	I302-V356 HydrophobicContact CG2-CG1 4.18Å; A305-V356 HydrophobicContact CB-CG2 4.05Å; W333-V356 HydrophobicContact CH2-CG1 4.28Å; W333-V356 HydrophobicContact CZ2-CG1 3.84Å; Y338-V356 HydrophobicContact CE1-CB 4.34Å; Y338-V356 HydrophobicContact CE1-CG1 3.92Å; Y338-V356 HydrophobicContact CE1-CG2 4.34Å; S354-V356 PolarHBondContact O-N 2.81Å; S354-V356 WeakPolarHBondContact OG-CB 3.38Å; S354-V356 PolarHBondContact OG-N 2.84Å; V356-L358 PolarHBondContact O-N 3.21Å; V356-S359 PolarHBondContact O-N 2.92Å; V356-S359 VanDerWaalsContact O-N 3.16Å; V356-S359 PolarHBondContact O-OG 3.03Å; V356-F360 PolarHBondContact O-N 2.8Å; V356-W377 HydrophobicContact CG2-CZ3 4.07Å
357	T	98.7	Very high	96.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-61.6	-43.4	174.7	-73.1	0	0	0	0	112.3	W84 W333 E341 I342 M343 V353 S354 S359 F360 F361	W84-T357 HydrophobicContact CH2-CG2 4.16Å; W333-T357 PolarHBondContact NE1-OG1 3.49Å; E341-T357 WeakPolarHBondContact OE1-CB 3.15Å; E341-T357 PolarHBondContact OE1-OG1 2.92Å; E341-T357 PolarHBondContact OE2-OG1 2.97Å; I342-T357 HydrophobicContact CG2-CG2 3.89Å; M343-T357 HydrophobicContact CG-CG2 3.51Å; M343-T357 WeakPolarHBondContact CG-OG1 3Å; M343-T357 HydrophobicContact SD-CG2 4.49Å; V353-T357 HydrophobicContact CG1-CG2 4.36Å; S354-T357 PolarHBondContact O-N 3.22Å; S354-T357 PolarHBondContact OG-N 3.09Å; T357-S359 VanDerWaalsContact C-N 3.26Å; T357-S359 PolarHBondContact O-N 2.91Å; T357-F360 VanDerWaalsContact O-CB 3.32Å; T357-F360 WeakPolarHBondContact O-CB 3.22Å; T357-F360 PolarHBondContact O-N 2.81Å; T357-F361 HydrophobicContact CG2-CD2 4.46Å; T357-F361 HydrophobicContact CG2-CE2 3.9Å; T357-F361 WeakPolarHBondContact O-CD2 3.39Å
358	L	98.9	Very high	97.2	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-60	-37.8	175.5	-75	-173.4	0	0	0	112.5	W84 A87 V353 S354 V356 F360 F361 E362 V369 Y371 A374	W84-L358 HydrophobicContact CZ3-CD2 4.17Å; A87-L358 HydrophobicContact CB-CD2 4.29Å; V353-L358 HydrophobicContact CG1-CD2 4.04Å; V353-L358 HydrophobicContact CG1-CG 4.13Å; S354-L358 WeakPolarHBondContact O-CG 3.43Å; S354-L358 PolarHBondContact O-N 3.41Å; V356-L358 PolarHBondContact O-N 3.21Å; L358-F360 VanDerWaalsContact C-N 3.26Å; L358-F360 PolarHBondContact O-N 2.94Å; L358-F361 PolarHBondContact O-N 2.89Å; L358-E362 PolarHBondContact O-N 3.07Å; L358-V369 HydrophobicContact CB-CG1 3.79Å; L358-V369 HydrophobicContact CD1-CG1 4.31Å; L358-V369 HydrophobicContact CD2-CG1 3.96Å; L358-V369 HydrophobicContact CG-CG1 4.23Å; L358-Y371 HydrophobicContact CB-CD1 4.13Å; L358-Y371 HydrophobicContact CB-CE1 3.96Å; L358-Y371 HydrophobicContact CD1-CD1 4.34Å; L358-A374 HydrophobicContact CD1-CB 3.75Å
359	S	98.8	Very high	97.6	Very high	1 Å²	1	19.9 Å²	19.9	1%	0.007	10%	0.098	C	C	.	.	H	α-helix	trans	-68.7	-22.7	176.6	66.1	0	0	0	0	114.1	I302 R355 V356 T357 E362 D363 Y371	I302-S359 VanDerWaalsContact CA-OG 3.24Å; I302-S359 WeakPolarHBondContact CA-OG 3.38Å; R355-S359 VanDerWaalsContact O-CB 3.25Å; R355-S359 WeakPolarHBondContact O-CB 3.14Å; R355-S359 PolarHBondContact O-N 3.12Å; R355-S359 PolarHBondContact O-OG 2.92Å; R355-S359 VanDerWaalsContact O-OG 3.12Å; V356-S359 PolarHBondContact O-N 2.92Å; V356-S359 VanDerWaalsContact O-N 3.16Å; V356-S359 PolarHBondContact O-OG 3.03Å; T357-S359 VanDerWaalsContact C-N 3.26Å; T357-S359 PolarHBondContact O-N 2.91Å; S359-E362 PolarHBondContact O-N 3.24Å; S359-D363 WeakPolarHBondContact O-CB 3.25Å; S359-D363 PolarHBondContact O-N 3.32Å; S359-Y371 WeakPolarHBondContact CA-OH 3.01Å
360	F	98.8	Very high	98	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-61.6	-48.8	170	161.2	-91	0	0	0	111.2	G234 F235 F240 M243 F297 I302 W333 V356 T357 L358 E362 D363 S364 W366	G234-F360 VanDerWaalsContact O-CZ 3.27Å; G234-F360 WeakPolarHBondContact O-CZ 3.38Å; F235-F360 HydrophobicContact CB-CD1 4.23Å; F235-F360 HydrophobicContact CB-CE1 3.83Å; F235-F360 HydrophobicContact CB-CZ 4.28Å; F235-F360 HydrophobicContact CD2-CB 4.07Å; F235-F360 AromaticContact CD2-CD1 3.42Å; F235-F360 HydrophobicContact CD2-CD1 3.42Å; F235-F360 VanDerWaalsContact CD2-CD1 3.42Å; F235-F360 AromaticContact CD2-CD2 3.93Å; F235-F360 HydrophobicContact CD2-CD2 3.93Å; F235-F360 AromaticContact CD2-CE1 3.81Å; F235-F360 HydrophobicContact CD2-CE1 3.81Å; F235-F360 HydrophobicContact CD2-CE2 4.29Å; F235-F360 AromaticContact CD2-CG 3.49Å; F235-F360 HydrophobicContact CD2-CG 3.49Å; F235-F360 VanDerWaalsContact CD2-CG 3.49Å; F235-F360 HydrophobicContact CD2-CZ 4.24Å; F235-F360 HydrophobicContact CE2-CB 4Å; F235-F360 HydrophobicContact CE2-CD1 4.2Å; F235-F360 HydrophobicContact CE2-CD2 4.07Å; F235-F360 AromaticContact CE2-CG 3.79Å; F235-F360 HydrophobicContact CE2-CG 3.79Å; F235-F360 HydrophobicContact CG-CD1 4.27Å; F235-F360 HydrophobicContact CG-CE1 4.24Å; F240-F360 AromaticContact CD1-CE2 3.71Å; F240-F360 HydrophobicContact CD1-CE2 3.71Å; F240-F360 HydrophobicContact CD1-CZ 4.13Å; F240-F360 HydrophobicContact CE1-CD2 4.39Å; F240-F360 AromaticContact CE1-CE2 3.51Å; F240-F360 HydrophobicContact CE1-CE2 3.51Å; F240-F360 AromaticContact CE1-CZ 3.86Å; F240-F360 HydrophobicContact CE1-CZ 3.86Å; M243-F360 HydrophobicContact CE-CD2 4.34Å; M243-F360 HydrophobicContact CE-CE2 4.17Å; M243-F360 HydrophobicContact SD-CE2 3.99Å; F297-F360 HydrophobicContact CE1-CD2 4.34Å; F297-F360 HydrophobicContact CE1-CE2 4.43Å; F297-F360 HydrophobicContact CE2-CD2 4.21Å; F297-F360 HydrophobicContact CE2-CE2 4.49Å; F297-F360 AromaticContact CZ-CD2 3.81Å; F297-F360 HydrophobicContact CZ-CD2 3.81Å; F297-F360 AromaticContact CZ-CE2 3.81Å; F297-F360 HydrophobicContact CZ-CE2 3.81Å; I302-F360 HydrophobicContact CD1-CB 3.93Å; I302-F360 HydrophobicContact CD1-CD2 4.18Å; I302-F360 HydrophobicContact CG1-CB 4.32Å; W333-F360 HydrophobicContact CZ2-CB 4.47Å; V356-F360 PolarHBondContact O-N 2.8Å; T357-F360 VanDerWaalsContact O-CB 3.32Å; T357-F360 WeakPolarHBondContact O-CB 3.22Å; T357-F360 PolarHBondContact O-N 2.81Å; L358-F360 VanDerWaalsContact C-N 3.26Å; L358-F360 PolarHBondContact O-N 2.94Å; F360-E362 PolarHBondContact O-N 2.99Å; F360-E362 VanDerWaalsContact O-N 3.17Å; F360-D363 PolarHBondContact O-N 3.19Å; F360-S364 WeakPolarHBondContact O-CB 3.46Å; F360-S364 PolarHBondContact O-N 3.5Å; F360-W366 HydrophobicContact CZ-CZ3 4.27Å
361	F	98.8	Very high	98.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-63.4	-24	-179.8	-69.2	-73.4	0	0	0	112.8	W84 L88 L233 T357 L358 S364 Y367 V369	W84-F361 HydrophobicContact CE3-CE2 4.36Å; W84-F361 HydrophobicContact CH2-CD2 4.18Å; W84-F361 AromaticContact CH2-CE2 3.36Å; W84-F361 HydrophobicContact CH2-CE2 3.36Å; W84-F361 AromaticContact CH2-CZ 3.92Å; W84-F361 HydrophobicContact CH2-CZ 3.92Å; W84-F361 HydrophobicContact CZ2-CE2 4.34Å; W84-F361 AromaticContact CZ3-CD2 3.77Å; W84-F361 HydrophobicContact CZ3-CD2 3.77Å; W84-F361 AromaticContact CZ3-CE2 3.36Å; W84-F361 HydrophobicContact CZ3-CE2 3.36Å; W84-F361 AromaticContact CZ3-CZ 3.97Å; W84-F361 HydrophobicContact CZ3-CZ 3.97Å; L88-F361 HydrophobicContact CD1-CD1 4.05Å; L88-F361 HydrophobicContact CD1-CE1 4.47Å; L88-F361 HydrophobicContact CD1-CG 4.22Å; L88-F361 HydrophobicContact CD2-CB 3.66Å; L88-F361 HydrophobicContact CD2-CD2 4.42Å; L88-F361 HydrophobicContact CD2-CG 3.97Å; L233-F361 HydrophobicContact CB-CD1 4.5Å; L233-F361 HydrophobicContact CB-CE1 3.59Å; L233-F361 HydrophobicContact CB-CZ 4.26Å; L233-F361 HydrophobicContact CD1-CE1 4.28Å; T357-F361 HydrophobicContact CG2-CD2 4.46Å; T357-F361 HydrophobicContact CG2-CE2 3.9Å; T357-F361 WeakPolarHBondContact O-CD2 3.39Å; L358-F361 PolarHBondContact O-N 2.89Å; F361-S364 PolarHBondContact O-OG 3.46Å; F361-Y367 HydrophobicContact CB-CD2 4.15Å; F361-Y367 AromaticContact CD1-CD2 3.97Å; F361-Y367 HydrophobicContact CD1-CD2 3.97Å; F361-Y367 HydrophobicContact CD1-CE2 4.08Å; F361-Y367 WeakPolarHBondContact O-CB 3.4Å; F361-Y367 PolarHBondContact O-N 3.33Å; F361-V369 HydrophobicContact CB-CG2 3.94Å
362	E	98.6	Very high	98.4	Very high	34 Å²	34	27.2 Å²	27.2	16%	0.159	13%	0.125	C	C	.	.	H	α-helix	trans	-83.9	-43.9	174.3	-157	170.8	-171.4	0	0	113.1	K301 L358 S359 F360 S364 G365 V369 Y371	K301-E362 HydrophobicContact CD-CB 4.16Å; K301-E362 HydrophobicContact CD-CG 3.94Å; K301-E362 WeakPolarHBondContact CD-OE2 3.1Å; K301-E362 IonicContact NZ-OE1 3.76Å; K301-E362 PolarHBondContact NZ-OE1 3.49Å; K301-E362 IonicContact NZ-OE2 3.63Å; K301-E362 PolarHBondContact NZ-OE2 2.95Å; L358-E362 PolarHBondContact O-N 3.07Å; S359-E362 PolarHBondContact O-N 3.24Å; F360-E362 PolarHBondContact O-N 2.99Å; F360-E362 VanDerWaalsContact O-N 3.17Å; E362-S364 PolarHBondContact O-N 2.69Å; E362-G365 PolarHBondContact O-N 2.82Å; E362-G365 VanDerWaalsContact O-N 3.15Å; E362-V369 HydrophobicContact CB-CB 4.27Å; E362-V369 HydrophobicContact CB-CG2 3.66Å; E362-V369 HydrophobicContact CG-CG2 4.24Å; E362-Y371 WeakPolarHBondContact OE2-CE2 3.25Å; E362-Y371 VanDerWaalsContact OE2-CZ 3.23Å; E362-Y371 PolarHBondContact OE2-OH 2.79Å
363	D	98.7	Very high	98.5	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.032	14%	0.136	C	C	.	.	H	α-helix	trans	-70.3	-19.8	178.4	-89.3	-14.3	0	0	0	113.1	M243 R251 T299 K301 I302 S359 F360 G365	M243-D363 HydrophobicContact CE-CB 4.35Å; R251-D363 PolarHBondContact NE-O 2.97Å; R251-D363 VanDerWaalsContact NE-O 3.11Å; R251-D363 PolarHBondContact NH2-O 3.07Å; T299-D363 VanDerWaalsContact C-OD2 3.3Å; T299-D363 WeakPolarHBondContact CB-OD2 3.45Å; T299-D363 HydrophobicContact CG2-CB 4.48Å; T299-D363 PolarHBondContact OG1-OD2 3.14Å; K301-D363 WeakPolarHBondContact CA-OD2 3.43Å; K301-D363 WeakPolarHBondContact CB-OD1 3.43Å; K301-D363 WeakPolarHBondContact CB-OD2 3.36Å; K301-D363 WeakPolarHBondContact CG-OD1 3.42Å; K301-D363 PolarHBondContact N-OD1 2.83Å; K301-D363 PolarHBondContact N-OD2 3.4Å; I302-D363 HydrophobicContact CD1-CB 4.29Å; I302-D363 HydrophobicContact CG1-CB 4.19Å; I302-D363 PolarHBondContact N-OD2 2.71Å; S359-D363 WeakPolarHBondContact O-CB 3.25Å; S359-D363 PolarHBondContact O-N 3.32Å; F360-D363 PolarHBondContact O-N 3.19Å; D363-G365 PolarHBondContact O-N 3.28Å
364	S	98.6	Very high	98.5	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-20.5	170.6	75.1	0	0	0	0	112.7	M243 R244 F360 F361 E362 W366	M243-S364 VanDerWaalsContact CE-CA 3.45Å; R244-S364 PolarHBondContact N-O 3.5Å; R244-S364 CarbonylContact O-C 3.58Å; F360-S364 WeakPolarHBondContact O-CB 3.46Å; F360-S364 PolarHBondContact O-N 3.5Å; F361-S364 PolarHBondContact O-OG 3.46Å; E362-S364 PolarHBondContact O-N 2.69Å; S364-W366 VanDerWaalsContact CB-CE3 3.43Å; S364-W366 PolarHBondContact O-N 2.85Å; S364-W366 VanDerWaalsContact OG-CE3 3.3Å; S364-W366 PolarHBondContact OG-N 2.72Å
365	G	97.8	Very high	98.5	Very high	11 Å²	11	33.5 Å²	33.5	11%	0.113	16%	0.158	C	C	.	.	S	Bend	trans	77.9	-1.3	-177.5	0	0	0	0	0	113.8	R244 E362 D363	R244-G365 WeakPolarHBondContact O-CA 3.28Å; E362-G365 PolarHBondContact O-N 2.82Å; E362-G365 VanDerWaalsContact O-N 3.15Å; D363-G365 PolarHBondContact O-N 3.28Å
366	W	97.5	Very high	98.4	Very high	5 Å²	5	35.6 Å²	35.6	2%	0.019	17%	0.171	C	C	.	.	S	Bend	trans	-87.4	-30.7	-178.2	-55.4	-38.4	0	0	0	113.4	K91 T196 D197 R198 P199 F242 M243 F360 S364	K91-W366 WeakPolarHBondContact CB-O 3.45Å; K91-W366 PolarHBondContact N-O 2.76Å; T196-W366 PolarHBondContact O-NE1 2.81Å; D197-W366 PolarHBondContact O-NE1 3.45Å; R198-W366 HydrophobicContact CB-CB 4.15Å; R198-W366 HydrophobicContact CB-CG 3.92Å; R198-W366 HydrophobicContact CG-CB 3.9Å; R198-W366 HydrophobicContact CG-CG 4.08Å; P199-W366 HydrophobicContact CG-CE3 4.48Å; P199-W366 HydrophobicContact CG-CH2 4.19Å; P199-W366 HydrophobicContact CG-CZ3 4.11Å; F242-W366 HydrophobicContact CB-CZ2 4.35Å; M243-W366 HydrophobicContact CG-CH2 4.24Å; M243-W366 HydrophobicContact CG-CZ2 4.29Å; F360-W366 HydrophobicContact CZ-CZ3 4.27Å; S364-W366 VanDerWaalsContact CB-CE3 3.43Å; S364-W366 PolarHBondContact O-N 2.85Å; S364-W366 VanDerWaalsContact OG-CE3 3.3Å; S364-W366 PolarHBondContact OG-N 2.72Å
367	Y	98.3	Very high	98.3	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.3	-173.2	-52.8	-80.5	0	0	0	112.4	L54 L88 T89 V90 F361	L54-Y367 HydrophobicContact CD1-CE1 4.36Å; L54-Y367 HydrophobicContact CD2-CE1 4.48Å; L88-Y367 HydrophobicContact CB-CD1 3.9Å; L88-Y367 HydrophobicContact CB-CG 4.23Å; L88-Y367 HydrophobicContact CD1-CD1 4.32Å; L88-Y367 HydrophobicContact CD1-CD2 4.39Å; L88-Y367 HydrophobicContact CD1-CE1 4.46Å; L88-Y367 HydrophobicContact CD1-CG 4.29Å; L88-Y367 HydrophobicContact CD2-CG 4.37Å; T89-Y367 CarbonylContact O-C 3.58Å; T89-Y367 VanDerWaalsContact O-CA 3.25Å; T89-Y367 WeakPolarHBondContact O-CA 3.39Å; V90-Y367 HydrophobicContact CG2-CD1 4.29Å; V90-Y367 HydrophobicContact CG2-CE1 4.02Å; F361-Y367 HydrophobicContact CB-CD2 4.15Å; F361-Y367 AromaticContact CD1-CD2 3.97Å; F361-Y367 HydrophobicContact CD1-CD2 3.97Å; F361-Y367 HydrophobicContact CD1-CE2 4.08Å; F361-Y367 WeakPolarHBondContact O-CB 3.4Å; F361-Y367 PolarHBondContact O-N 3.33Å
368	N	98	Very high	98.2	Very high	51 Å²	51	42.9 Å²	42.9	27%	0.273	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	142.8	153.4	-61.8	-38.7	0	0	0	107.7	T89	T89-N368 PolarHBondContact N-O 3.5Å; T89-N368 PolarHBondContact O-N 3.34Å
369	V	98.5	Very high	98.1	Very high	17 Å²	17	46.9 Å²	46.9	10%	0.103	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	127.9	-167.9	180	0	0	0	0	112	A87 L88 L358 F361 E362 Y371	A87-V369 WeakPolarHBondContact O-CA 3.24Å; L88-V369 HydrophobicContact CD2-CG1 4.46Å; L88-V369 HydrophobicContact CD2-CG2 3.83Å; L358-V369 HydrophobicContact CB-CG1 3.79Å; L358-V369 HydrophobicContact CD1-CG1 4.31Å; L358-V369 HydrophobicContact CD2-CG1 3.96Å; L358-V369 HydrophobicContact CG-CG1 4.23Å; F361-V369 HydrophobicContact CB-CG2 3.94Å; E362-V369 HydrophobicContact CB-CB 4.27Å; E362-V369 HydrophobicContact CB-CG2 3.66Å; E362-V369 HydrophobicContact CG-CG2 4.24Å; V369-Y371 HydrophobicContact CB-CE2 4.23Å; V369-Y371 HydrophobicContact CG1-CD2 4.5Å; V369-Y371 HydrophobicContact CG1-CE2 4.4Å; V369-Y371 WeakPolarHBondContact O-CD2 3.3Å; V369-Y371 PolarHBondContact O-N 2.81Å
370	N	98.6	Very high	98	Very high	65 Å²	65	47 Å²	47	35%	0.348	22%	0.22	S	C	.	.			trans	-81.7	89.9	171.9	-179.9	8.5	0	0	0	110.6	E86 A87 K372 K373	E86-N370 PolarHBondContact O-ND2 2.96Å; A87-N370 PolarHBondContact O-N 3.39Å; N370-K372 PolarHBondContact O-N 3.47Å; N370-K372 VanDerWaalsContact OD1-CB 3.27Å; N370-K372 WeakPolarHBondContact OD1-CB 3.32Å; N370-K372 PolarHBondContact OD1-N 2.59Å; N370-K372 VanDerWaalsContact OD1-N 3.13Å; N370-K373 HydrophobicContact CB-CG 4.36Å; N370-K373 WeakPolarHBondContact O-CB 3.13Å; N370-K373 PolarHBondContact O-N 2.82Å
371	Y	98.5	Very high	98	Very high	52 Å²	52	53.5 Å²	53.5	20%	0.204	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-64.4	-7.1	178.6	-72.3	-81.1	0	0	0	115.4	R355 L358 S359 E362 V369 K373 A374	R355-Y371 HydrophobicContact CG-CD1 4.23Å; L358-Y371 HydrophobicContact CB-CD1 4.13Å; L358-Y371 HydrophobicContact CB-CE1 3.96Å; L358-Y371 HydrophobicContact CD1-CD1 4.34Å; S359-Y371 WeakPolarHBondContact CA-OH 3.01Å; E362-Y371 WeakPolarHBondContact OE2-CE2 3.25Å; E362-Y371 VanDerWaalsContact OE2-CZ 3.23Å; E362-Y371 PolarHBondContact OE2-OH 2.79Å; V369-Y371 HydrophobicContact CB-CE2 4.23Å; V369-Y371 HydrophobicContact CG1-CD2 4.5Å; V369-Y371 HydrophobicContact CG1-CE2 4.4Å; V369-Y371 WeakPolarHBondContact O-CD2 3.3Å; V369-Y371 PolarHBondContact O-N 2.81Å; Y371-K373 PolarHBondContact O-N 2.67Å; Y371-A374 VanDerWaalsContact O-CB 3.27Å; Y371-A374 WeakPolarHBondContact O-CB 3.47Å; Y371-A374 PolarHBondContact O-N 3.47Å
372	K	98.5	Very high	97.9	Very high	193 Å²	193	56.8 Å²	56.8	84%	0.839	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-67.7	-19.6	169.9	-60.9	-179.8	178	178.2	0	111.9	N370 A374	N370-K372 PolarHBondContact O-N 3.47Å; N370-K372 VanDerWaalsContact OD1-CB 3.27Å; N370-K372 WeakPolarHBondContact OD1-CB 3.32Å; N370-K372 PolarHBondContact OD1-N 2.59Å; N370-K372 VanDerWaalsContact OD1-N 3.13Å; K372-A374 VanDerWaalsContact C-N 3.28Å
373	K	98.4	Very high	97.9	Very high	57 Å²	57	58.7 Å²	58.7	25%	0.248	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-79	-7.9	173.9	-60.7	-56.5	-57.3	-174.2	0	113.8	F83 E86 A87 N370 Y371 M375	F83-K373 HydrophobicContact CE2-CB 4.12Å; F83-K373 WeakPolarHBondContact CE2-O 3.19Å; F83-K373 HydrophobicContact CZ-CB 4.16Å; E86-K373 HydrophobicContact CB-CD 4.07Å; E86-K373 HydrophobicContact CB-CG 4.44Å; E86-K373 WeakPolarHBondContact OE2-CE 3.3Å; E86-K373 IonicContact OE2-NZ 2.88Å; E86-K373 PolarHBondContact OE2-NZ 2.9Å; A87-K373 HydrophobicContact CB-CB 4.05Å; A87-K373 HydrophobicContact CB-CG 4.09Å; N370-K373 HydrophobicContact CB-CG 4.36Å; N370-K373 WeakPolarHBondContact O-CB 3.13Å; N370-K373 PolarHBondContact O-N 2.82Å; Y371-K373 PolarHBondContact O-N 2.67Å; K373-M375 PolarHBondContact O-N 3.21Å
374	A	98.5	Very high	97.8	Very high	27 Å²	27	59.3 Å²	59.3	22%	0.223	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-59.9	126.9	177.6	0	0	0	0	0	110.7	R355 L358 Y371 K372	R355-A374 HydrophobicContact CG-CB 3.63Å; L358-A374 HydrophobicContact CD1-CB 3.75Å; Y371-A374 VanDerWaalsContact O-CB 3.27Å; Y371-A374 WeakPolarHBondContact O-CB 3.47Å; Y371-A374 PolarHBondContact O-N 3.47Å; K372-A374 VanDerWaalsContact C-N 3.28Å
375	M	98.1	Very high	97.8	Very high	51 Å²	51	61.1 Å²	61.1	25%	0.251	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-78.1	156.5	172.4	-63	179.2	-178.9	0	0	110.3	F83 L226 Y351 S352 V353 K373 W377	F83-M375 HydrophobicContact CD2-CE 4.04Å; F83-M375 HydrophobicContact CE2-CE 3.72Å; F83-M375 HydrophobicContact CZ-CE 4.43Å; L226-M375 HydrophobicContact CD1-CE 4.26Å; Y351-M375 HydrophobicContact CD2-SD 4.25Å; Y351-M375 HydrophobicContact CE2-CE 4.09Å; Y351-M375 HydrophobicContact CE2-SD 3.97Å; S352-M375 WeakPolarHBondContact OG-CB 3.18Å; V353-M375 HydrophobicContact CB-CG 4.33Å; V353-M375 HydrophobicContact CB-SD 4.18Å; V353-M375 HydrophobicContact CG2-CE 4.04Å; V353-M375 HydrophobicContact CG2-SD 3.98Å; V353-M375 PolarHBondContact N-SD 3.27Å; V353-M375 PolarHBondContact O-N 2.83Å; K373-M375 PolarHBondContact O-N 3.21Å; M375-W377 PolarHBondContact O-N 3.3Å
376	K	96.9	Very high	97.7	Very high	175 Å²	175	63.3 Å²	63.3	76%	0.761	30%	0.302	S	S	*	.	P	Polyproline II helix	trans	-72.1	123.4	173.5	-69.4	-178.1	-176.6	174.7	0	108.5	S352 F378	S352-K376 PolarHBondContact OG-O 2.89Å; K376-F378 HydrophobicContact CB-CE2 3.95Å; K376-F378 HydrophobicContact CB-CZ 4.07Å; K376-F378 HydrophobicContact CD-CE2 4.5Å; K376-F378 HydrophobicContact CD-CZ 3.99Å
377	W	97.1	Very high	97.7	Very high	13 Å²	13	63.7 Å²	63.7	5%	0.049	30%	0.304	C	S	.	.			trans	-116.1	125.2	174.2	-174.2	39.6	0	0	0	108.7	H309 F310 Y338 N340 E341 S352 V356 M375 Y379	H309-W377 HydrophobicContact CB-CZ3 4.33Å; H309-W377 AromaticContact CD2-CE3 3.5Å; H309-W377 VanDerWaalsContact CD2-CE3 3.5Å; H309-W377 AromaticContact CD2-CH2 3.51Å; H309-W377 AromaticContact CD2-CZ3 3.08Å; H309-W377 WeakPolarHBondContact CD2-CZ3 3.3Å; H309-W377 AromaticContact CE1-CD2 3.44Å; H309-W377 VanDerWaalsContact CE1-CD2 3.44Å; H309-W377 AromaticContact CE1-CE3 3.13Å; H309-W377 AromaticContact CE1-CG 3.92Å; H309-W377 AromaticContact CE1-CZ3 3.63Å; H309-W377 PolarHBondContact CE1-O 3.04Å; H309-W377 VanDerWaalsContact CE1-O 3.29Å; H309-W377 AromaticContact CG-CE3 3.63Å; H309-W377 AromaticContact CG-CZ3 3.5Å; H309-W377 AromaticContact ND1-CE3 3.47Å; H309-W377 AromaticContact ND1-CZ3 3.87Å; H309-W377 AromaticContact NE2-CD2 3.5Å; H309-W377 AromaticContact NE2-CE2 3.82Å; H309-W377 AromaticContact NE2-CE3 3.16Å; H309-W377 AromaticContact NE2-CH2 3.45Å; H309-W377 WeakPolarHBondContact NE2-CH2 3.39Å; H309-W377 AromaticContact NE2-CZ2 3.76Å; H309-W377 AromaticContact NE2-CZ3 3.17Å; H309-W377 WeakPolarHBondContact NE2-CZ3 3.47Å; F310-W377 HydrophobicContact CE1-CH2 4.02Å; F310-W377 AromaticContact CZ-CH2 3.68Å; F310-W377 HydrophobicContact CZ-CH2 3.68Å; F310-W377 HydrophobicContact CZ-CZ3 4.37Å; Y338-W377 AromaticContact CD1-CH2 3.41Å; Y338-W377 HydrophobicContact CD1-CH2 3.41Å; Y338-W377 VanDerWaalsContact CD1-CH2 3.41Å; Y338-W377 HydrophobicContact CD1-CZ2 4.02Å; Y338-W377 HydrophobicContact CD1-CZ3 4.04Å; Y338-W377 AromaticContact CE1-CH2 3.82Å; Y338-W377 HydrophobicContact CE1-CH2 3.82Å; Y338-W377 HydrophobicContact CE1-CZ3 4.17Å; Y338-W377 HydrophobicContact CG-CH2 4.21Å; Y338-W377 WeakPolarHBondContact O-CZ2 3.41Å; Y338-W377 PolarHBondContact O-NE1 3.44Å; N340-W377 PolarHBondContact OD1-NE1 3.46Å; N340-W377 VanDerWaalsContact OD1-NE1 3.15Å; E341-W377 HydrophobicContact CB-CZ2 4.23Å; E341-W377 HydrophobicContact CG-CD2 4.18Å; E341-W377 HydrophobicContact CG-CE3 4.33Å; E341-W377 HydrophobicContact CG-CZ2 4.44Å; E341-W377 HydrophobicContact CG-CZ3 4.5Å; S352-W377 WeakPolarHBondContact OG-CB 3.11Å; V356-W377 HydrophobicContact CG2-CZ3 4.07Å; M375-W377 PolarHBondContact O-N 3.3Å; W377-Y379 HydrophobicContact CZ2-CD1 4.27Å
378	F	96.9	Very high	97.6	Very high	143 Å²	143	63.8 Å²	63.8	63%	0.627	30%	0.304	S	S	*	.			trans	-108.6	-31.6	-174.5	-66	-74.7	0	0	0	113.4	K376 G380 R381	K376-F378 HydrophobicContact CB-CE2 3.95Å; K376-F378 HydrophobicContact CB-CZ 4.07Å; K376-F378 HydrophobicContact CD-CE2 4.5Å; K376-F378 HydrophobicContact CD-CZ 3.99Å; F378-G380 PolarHBondContact O-N 3.33Å; F378-R381 WeakPolarHBondContact O-CB 3.39Å; F378-R381 PolarHBondContact O-N 2.86Å
379	Y	97	Very high	97.5	Very high	84 Å²	84	63.7 Å²	63.7	33%	0.329	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	131.4	-178.5	-178.6	-93.6	0	0	0	111.2	H309 R336 L337 S339 N340 W377 R381 F387	H309-Y379 PolarHBondContact NE2-O 2.96Å; R336-Y379 WeakPolarHBondContact O-CE1 2.98Å; R336-Y379 PolarHBondContact O-OH 3.22Å; L337-Y379 WeakPolarHBondContact O-CD1 3.34Å; L337-Y379 WeakPolarHBondContact O-CE1 2.98Å; S339-Y379 VanDerWaalsContact CB-CD1 3.41Å; S339-Y379 VanDerWaalsContact CB-CE1 3.47Å; N340-Y379 WeakPolarHBondContact OD1-CB 3.46Å; W377-Y379 HydrophobicContact CZ2-CD1 4.27Å; Y379-R381 PolarHBondContact O-N 2.66Å; Y379-R381 VanDerWaalsContact O-N 3.07Å; Y379-F387 HydrophobicContact CD1-CZ 4.49Å; Y379-F387 HydrophobicContact CE1-CE1 4.47Å; Y379-F387 AromaticContact CE1-CZ 3.73Å; Y379-F387 HydrophobicContact CE1-CZ 3.73Å; Y379-F387 AromaticContact CZ-CZ 3.9Å
380	G	96.9	Very high	97.4	Very high	4 Å²	4	65.6 Å²	65.6	4%	0.041	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	-6.4	-178.3	0	0	0	0	0	115.6	F310 F378 N382 L383	F310-G380 WeakPolarHBondContact CD1-O 3.41Å; F378-G380 PolarHBondContact O-N 3.33Å; G380-N382 PolarHBondContact O-N 3.23Å; G380-L383 PolarHBondContact O-N 2.86Å
381	R	97.9	Very high	97.3	Very high	135 Å²	135	62.6 Å²	62.6	51%	0.509	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	127.6	-173.4	-171.2	177.9	-179.1	-100.2	0.3	110.5	H309 F378 Y379 L383	H309-R381 WeakPolarHBondContact O-CA 2.97Å; F378-R381 WeakPolarHBondContact O-CB 3.39Å; F378-R381 PolarHBondContact O-N 2.86Å; Y379-R381 PolarHBondContact O-N 2.66Å; Y379-R381 VanDerWaalsContact O-N 3.07Å; R381-L383 PolarHBondContact O-N 3.27Å
382	N	97.6	Very high	97.1	Very high	69 Å²	69	64 Å²	64	37%	0.369	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	15.3	-179.7	-56.9	-39.3	0	0	0	116.4	H309 F310 R311 G380 G384	H309-N382 PolarHBondContact O-N 3.03Å; F310-N382 CarbonylContact O-C 3.58Å; R311-N382 HydrophobicContact CB-CB 4.27Å; G380-N382 PolarHBondContact O-N 3.23Å; N382-G384 PolarHBondContact O-N 3.27Å
383	L	97.1	Very high	97	Very high	75 Å²	75	58.3 Å²	58.3	39%	0.393	29%	0.286	S	S	.	.			trans	-77.8	-0.6	179.4	-62	-171.9	0	0	0	114.3	F310 G380 R381 F387	F310-L383 PolarHBondContact O-N 2.8Å; G380-L383 PolarHBondContact O-N 2.86Å; R381-L383 PolarHBondContact O-N 3.27Å; L383-F387 HydrophobicContact CB-CB 3.52Å; L383-F387 HydrophobicContact CB-CD1 4.11Å; L383-F387 HydrophobicContact CB-CD2 4.17Å; L383-F387 HydrophobicContact CB-CG 3.66Å; L383-F387 HydrophobicContact CD1-CD1 4.4Å; L383-F387 HydrophobicContact CD1-CD2 3.58Å; L383-F387 HydrophobicContact CD1-CE2 3.79Å; L383-F387 HydrophobicContact CD1-CG 3.9Å; L383-F387 HydrophobicContact CD1-CZ 4.31Å; L383-F387 HydrophobicContact CG-CG 4.43Å
384	G	97.4	Very high	97	Very high	18 Å²	18	56.5 Å²	56.5	19%	0.186	28%	0.278	C	S	.	.	H	α-helix	trans	76	-178.2	170.4	0	0	0	0	0	114.3	F310 N382 N386 F387 V388	F310-G384 VanDerWaalsContact O-CA 3.31Å; F310-G384 WeakPolarHBondContact O-CA 3.47Å; F310-G384 PolarHBondContact O-N 3.15Å; N382-G384 PolarHBondContact O-N 3.27Å; G384-N386 VanDerWaalsContact C-N 3.3Å; G384-N386 PolarHBondContact O-N 3.05Å; G384-F387 PolarHBondContact O-N 2.87Å; G384-V388 PolarHBondContact O-N 3.47Å
385	C	97.6	Very high	96.9	Very high	38 Å²	38	57.3 Å²	57.3	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-65.7	-29.8	-174.6	-64.4	0	0	0	0	113.9	C312 F387 V388 M389	C312-C385 WeakPolarHBondContact CA-SG 3.39Å; C312-C385 HydrophobicContact CB-CB 3.98Å; C312-C385 WeakPolarHBondContact CB-SG 3.32Å; C312-C385 WeakPolarHBondContact SG-CA 3.11Å; C312-C385 WeakPolarHBondContact SG-CB 3Å; C312-C385 CovalentContact SG-SG 2.04Å; C312-C385 PolarHBondContact SG-SG 3.17Å; C385-F387 VanDerWaalsContact C-N 3.33Å; C385-F387 PolarHBondContact O-N 3.31Å; C385-V388 PolarHBondContact O-N 3Å; C385-M389 HydrophobicContact CB-SD 4.23Å; C385-M389 WeakPolarHBondContact O-CB 2.96Å; C385-M389 PolarHBondContact O-N 2.03Å
386	N	96.5	Very high	96.8	Very high	58 Å²	58	56.8 Å²	56.8	31%	0.31	28%	0.279	S	S	.	.	H	α-helix	trans	-62.8	-41.2	178.3	-70.3	-27.4	0	0	0	111.4	G384 K390 Y395 I398	G384-N386 VanDerWaalsContact C-N 3.3Å; G384-N386 PolarHBondContact O-N 3.05Å; N386-K390 HydrophobicContact CB-CD 4.09Å; N386-K390 WeakPolarHBondContact O-CB 3.47Å; N386-K390 PolarHBondContact O-N 2.88Å; N386-K390 WeakPolarHBondContact OD1-CD 3.21Å; N386-K390 WeakPolarHBondContact OD1-CE 3.32Å; N386-Y395 HydrophobicContact CB-CD2 4.16Å; N386-I398 HydrophobicContact CB-CD1 4.19Å
387	F	97.2	Very high	96.8	Very high	13 Å²	13	50.7 Å²	50.7	6%	0.057	25%	0.253	C	S	.	.	H	α-helix	trans	-63.7	-49.2	175.5	174.8	-96.6	0	0	0	112	F310 R336 L337 Y379 L383 G384 C385 Y395	F310-F387 HydrophobicContact CD1-CD1 4.02Å; F310-F387 HydrophobicContact CD1-CE1 4.04Å; F310-F387 HydrophobicContact CE1-CD1 4.26Å; F310-F387 AromaticContact CE1-CE1 3.81Å; F310-F387 HydrophobicContact CE1-CE1 3.81Å; R336-F387 PolarHBondContact NH1-O 3.39Å; L337-F387 HydrophobicContact CD2-CD1 4.28Å; L337-F387 HydrophobicContact CD2-CE1 3.9Å; Y379-F387 HydrophobicContact CD1-CZ 4.49Å; Y379-F387 HydrophobicContact CE1-CE1 4.47Å; Y379-F387 AromaticContact CE1-CZ 3.73Å; Y379-F387 HydrophobicContact CE1-CZ 3.73Å; Y379-F387 AromaticContact CZ-CZ 3.9Å; L383-F387 HydrophobicContact CB-CB 3.52Å; L383-F387 HydrophobicContact CB-CD1 4.11Å; L383-F387 HydrophobicContact CB-CD2 4.17Å; L383-F387 HydrophobicContact CB-CG 3.66Å; L383-F387 HydrophobicContact CD1-CD1 4.4Å; L383-F387 HydrophobicContact CD1-CD2 3.58Å; L383-F387 HydrophobicContact CD1-CE2 3.79Å; L383-F387 HydrophobicContact CD1-CG 3.9Å; L383-F387 HydrophobicContact CD1-CZ 4.31Å; L383-F387 HydrophobicContact CG-CG 4.43Å; G384-F387 PolarHBondContact O-N 2.87Å; C385-F387 VanDerWaalsContact C-N 3.33Å; C385-F387 PolarHBondContact O-N 3.31Å; F387-Y395 HydrophobicContact CB-CD2 4.02Å; F387-Y395 HydrophobicContact CB-CE2 3.78Å; F387-Y395 HydrophobicContact CD2-CD1 4.22Å; F387-Y395 AromaticContact CD2-CE1 3.94Å; F387-Y395 HydrophobicContact CD2-CE1 3.94Å; F387-Y395 HydrophobicContact CD2-CE2 4.39Å
388	V	97	Very high	96.7	Very high	1 Å²	1	52 Å²	52	1%	0.006	26%	0.261	C	S	.	.	H	α-helix	trans	-79.7	-32.9	-170.2	60.1	0	0	0	0	113.6	R281 F310 C312 L315 R336 L337 G384 C385	R281-V388 PolarHBondContact NH1-O 3.36Å; F310-V388 HydrophobicContact CB-CB 4.32Å; F310-V388 HydrophobicContact CB-CG1 4.19Å; F310-V388 HydrophobicContact CD1-CB 4.42Å; F310-V388 HydrophobicContact CD2-CB 4.26Å; F310-V388 HydrophobicContact CD2-CG2 3.86Å; F310-V388 HydrophobicContact CE2-CG2 4.04Å; F310-V388 HydrophobicContact CG-CB 4.09Å; F310-V388 HydrophobicContact CG-CG1 4.46Å; F310-V388 HydrophobicContact CG-CG2 4.21Å; C312-V388 HydrophobicContact CB-CG1 3.73Å; L315-V388 HydrophobicContact CD1-CB 4.45Å; L315-V388 HydrophobicContact CD1-CG1 4.02Å; L315-V388 HydrophobicContact CD1-CG2 3.58Å; L315-V388 HydrophobicContact CD2-CG2 4.11Å; L315-V388 HydrophobicContact CG-CG2 4.49Å; R336-V388 PolarHBondContact NH2-O 3.36Å; L337-V388 HydrophobicContact CD1-CG2 3.91Å; L337-V388 HydrophobicContact CD2-CB 4.18Å; L337-V388 HydrophobicContact CD2-CG2 3.97Å; G384-V388 PolarHBondContact O-N 3.47Å; C385-V388 PolarHBondContact O-N 3Å
389	M	96.3	Very high	96.6	Very high	50 Å²	50	48.9 Å²	48.9	25%	0.246	25%	0.248	C	C	.	.	H	α-helix	trans	-103.8	-12.3	-173.1	-65	174.3	70.7	0	0	114.8	L315 C385	L315-M389 HydrophobicContact CD1-CG 4.22Å; C385-M389 HydrophobicContact CB-SD 4.23Å; C385-M389 WeakPolarHBondContact O-CB 2.96Å; C385-M389 PolarHBondContact O-N 2.03Å
390	K	96.1	Very high	96.5	Very high	56 Å²	56	53.4 Å²	53.4	24%	0.243	27%	0.265	C	S	.	.	S	Bend	trans	-109.9	169.4	179.5	-54.5	176.7	169	-69	0	111.4	W283 R336 N386 E394 I398	W283-K390 WeakPolarHBondContact CH2-O 3.14Å; W283-K390 VanDerWaalsContact CZ3-C 3.45Å; R336-K390 PolarHBondContact NH1-O 2.76Å; R336-K390 PolarHBondContact NH2-O 2.9Å; N386-K390 HydrophobicContact CB-CD 4.09Å; N386-K390 WeakPolarHBondContact O-CB 3.47Å; N386-K390 PolarHBondContact O-N 2.88Å; N386-K390 WeakPolarHBondContact OD1-CD 3.21Å; N386-K390 WeakPolarHBondContact OD1-CE 3.32Å; K390-E394 HydrophobicContact CB-CB 4.06Å; K390-E394 HydrophobicContact CB-CG 4.41Å; K390-E394 HydrophobicContact CD-CG 4.05Å; K390-E394 WeakPolarHBondContact CD-OE1 3.42Å; K390-E394 WeakPolarHBondContact CE-OE1 3.42Å; K390-E394 IonicContact NZ-OE1 3.69Å; K390-E394 PolarHBondContact NZ-OE1 2.97Å; K390-E394 IonicContact NZ-OE2 2.9Å; K390-I398 HydrophobicContact CD-CD1 3.55Å
391	S	96.3	Very high	96.2	Very high	3 Å²	3	60.7 Å²	60.7	2%	0.021	30%	0.298	C	S	.	.			trans	-71	162.3	176	75.5	0	0	0	0	112.2	W283 K284 F393 E394 Y395	W283-S391 VanDerWaalsContact CZ2-CA 3.41Å; K284-S391 WeakPolarHBondContact O-CB 3.19Å; K284-S391 PolarHBondContact O-OG 3.05Å; S391-F393 PolarHBondContact O-N 3.21Å; S391-F393 PolarHBondContact OG-N 3.2Å; S391-E394 PolarHBondContact O-N 2.02Å; S391-E394 WeakPolarHBondContact OG-CB 3.29Å; S391-E394 PolarHBondContact OG-N 2.87Å; S391-Y395 VanDerWaalsContact O-CB 3.29Å; S391-Y395 WeakPolarHBondContact O-CB 3.44Å; S391-Y395 PolarHBondContact O-N 3.33Å
392	C	94.6	Very high	95.5	Very high	80 Å²	80	62.9 Å²	62.9	54%	0.541	31%	0.314	S	S	.	.	H	α-helix	trans	-56.7	-40.1	171.9	-62.2	0	0	0	0	111.8	R336 A396	R336-C392 VanDerWaalsContact CD-SG 3.52Å; C392-A396 VanDerWaalsContact O-CB 3.29Å; C392-A396 WeakPolarHBondContact O-CB 3.41Å; C392-A396 PolarHBondContact O-N 2.84Å
393	F	96.5	Very high	95.4	Very high	75 Å²	75	62.6 Å²	62.6	33%	0.329	31%	0.311	S	S	.	.	H	α-helix	trans	-64	-50.4	179.4	-178	-95.2	0	0	0	111.3	K284 A286 S391 Y395 A396 E397	K284-F393 HydrophobicContact CD-CD1 4.13Å; K284-F393 HydrophobicContact CD-CE1 4.12Å; K284-F393 HydrophobicContact CG-CD1 4.07Å; K284-F393 HydrophobicContact CG-CE1 4.27Å; A286-F393 HydrophobicContact CB-CD2 4.25Å; A286-F393 HydrophobicContact CB-CE2 3.94Å; A286-F393 HydrophobicContact CB-CZ 4.39Å; S391-F393 PolarHBondContact O-N 3.21Å; S391-F393 PolarHBondContact OG-N 3.2Å; F393-Y395 PolarHBondContact O-N 3.33Å; F393-A396 PolarHBondContact O-N 2.98Å; F393-E397 HydrophobicContact CD1-CG 4.34Å; F393-E397 HydrophobicContact CE1-CG 4.02Å; F393-E397 HydrophobicContact CZ-CG 4.21Å; F393-E397 VanDerWaalsContact O-CG 3.3Å; F393-E397 WeakPolarHBondContact O-CG 3.37Å; F393-E397 PolarHBondContact O-N 3.28Å
394	E	97.4	Very high	95.3	Very high	18 Å²	18	61.9 Å²	61.9	8%	0.084	31%	0.307	C	S	.	.	H	α-helix	trans	-65	-41.3	179.7	-157	179.1	163	0	0	112.1	K284 K390 S391 E397 I398	K284-E394 HydrophobicContact CB-CB 3.88Å; K284-E394 HydrophobicContact CB-CG 3.95Å; K284-E394 HydrophobicContact CD-CB 4.37Å; K284-E394 HydrophobicContact CD-CG 3.96Å; K390-E394 HydrophobicContact CB-CB 4.06Å; K390-E394 HydrophobicContact CB-CG 4.41Å; K390-E394 HydrophobicContact CD-CG 4.05Å; K390-E394 WeakPolarHBondContact CD-OE1 3.42Å; K390-E394 WeakPolarHBondContact CE-OE1 3.42Å; K390-E394 IonicContact NZ-OE1 3.69Å; K390-E394 PolarHBondContact NZ-OE1 2.97Å; K390-E394 IonicContact NZ-OE2 2.9Å; S391-E394 PolarHBondContact O-N 2.02Å; S391-E394 WeakPolarHBondContact OG-CB 3.29Å; S391-E394 PolarHBondContact OG-N 2.87Å; E394-E397 PolarHBondContact O-N 3.17Å; E394-I398 HydrophobicContact CG-CD1 4.27Å; E394-I398 VanDerWaalsContact O-CG1 3.27Å; E394-I398 WeakPolarHBondContact O-CG1 3.43Å; E394-I398 PolarHBondContact O-N 2.85Å
395	Y	96.7	Very high	95.2	Very high	44 Å²	44	64.4 Å²	64.4	17%	0.173	31%	0.313	C	S	.	.	H	α-helix	trans	-60.1	-47.2	176.1	177	-109.3	0	0	0	111	N386 F387 S391 F393 E397 I398 Q399	N386-Y395 HydrophobicContact CB-CD2 4.16Å; F387-Y395 HydrophobicContact CB-CD2 4.02Å; F387-Y395 HydrophobicContact CB-CE2 3.78Å; F387-Y395 HydrophobicContact CD2-CD1 4.22Å; F387-Y395 AromaticContact CD2-CE1 3.94Å; F387-Y395 HydrophobicContact CD2-CE1 3.94Å; F387-Y395 HydrophobicContact CD2-CE2 4.39Å; S391-Y395 VanDerWaalsContact O-CB 3.29Å; S391-Y395 WeakPolarHBondContact O-CB 3.44Å; S391-Y395 PolarHBondContact O-N 3.33Å; F393-Y395 PolarHBondContact O-N 3.33Å; Y395-E397 PolarHBondContact O-N 3.44Å; Y395-I398 PolarHBondContact O-N 3.36Å; Y395-Q399 HydrophobicContact CD1-CG 4.36Å; Y395-Q399 HydrophobicContact CD2-CG 4.28Å; Y395-Q399 HydrophobicContact CE1-CG 3.93Å; Y395-Q399 HydrophobicContact CE2-CG 3.82Å; Y395-Q399 WeakPolarHBondContact O-CG 3.46Å; Y395-Q399 PolarHBondContact O-N 3.04Å
396	A	95.8	Very high	95	Very high	40 Å²	40	65.9 Å²	65.9	33%	0.331	32%	0.317	S	S	.	.	H	α-helix	trans	-60.9	-42.6	178	0	0	0	0	0	112.5	C392 F393 Q399 R400	C392-A396 VanDerWaalsContact O-CB 3.29Å; C392-A396 WeakPolarHBondContact O-CB 3.41Å; C392-A396 PolarHBondContact O-N 2.84Å; F393-A396 PolarHBondContact O-N 2.98Å; A396-Q399 PolarHBondContact O-N 2.84Å; A396-R400 WeakPolarHBondContact O-CG 3.47Å; A396-R400 PolarHBondContact O-N 2.9Å
397	E	95.9	Very high	94.9	Very high	47 Å²	47	66.4 Å²	66.4	22%	0.22	32%	0.317	C	S	.	.	H	α-helix	trans	-60.5	-46.3	175.2	-70	-74.5	102.4	0	0	111.4	F393 E394 Y395 Q399 R400 H401	F393-E397 HydrophobicContact CD1-CG 4.34Å; F393-E397 HydrophobicContact CE1-CG 4.02Å; F393-E397 HydrophobicContact CZ-CG 4.21Å; F393-E397 VanDerWaalsContact O-CG 3.3Å; F393-E397 WeakPolarHBondContact O-CG 3.37Å; F393-E397 PolarHBondContact O-N 3.28Å; E394-E397 PolarHBondContact O-N 3.17Å; Y395-E397 PolarHBondContact O-N 3.44Å; E397-Q399 VanDerWaalsContact C-N 3.31Å; E397-Q399 PolarHBondContact O-N 2.9Å; E397-R400 PolarHBondContact O-N 2.9Å; E397-R400 VanDerWaalsContact O-N 3.14Å; E397-R400 IonicContact OE1-CZ 3.89Å; E397-R400 IonicContact OE1-NH1 2.82Å; E397-R400 PolarHBondContact OE1-NH1 3.15Å; E397-H401 PolarHBondContact O-CD2 2.67Å; E397-H401 PolarHBondContact O-N 3.25Å
398	I	96.1	Very high	94.8	Very high	40 Å²	40	70 Å²	70	21%	0.205	33%	0.334	C	S	.	.	H	α-helix	trans	-59.9	-42.5	176.9	-67.8	163.9	0	0	0	110.9	N386 K390 E394 Y395 R400 H401 Q402	N386-I398 HydrophobicContact CB-CD1 4.19Å; K390-I398 HydrophobicContact CD-CD1 3.55Å; E394-I398 HydrophobicContact CG-CD1 4.27Å; E394-I398 VanDerWaalsContact O-CG1 3.27Å; E394-I398 WeakPolarHBondContact O-CG1 3.43Å; E394-I398 PolarHBondContact O-N 2.85Å; Y395-I398 PolarHBondContact O-N 3.36Å; I398-R400 VanDerWaalsContact C-N 3.3Å; I398-R400 PolarHBondContact O-N 2.96Å; I398-H401 PolarHBondContact O-N 3.43Å; I398-Q402 WeakPolarHBondContact O-CG 3.2Å; I398-Q402 PolarHBondContact O-N 2.87Å
399	Q	94.5	Very high	94.6	Very high	78 Å²	78	74.9 Å²	74.9	36%	0.364	36%	0.358	S	S	.	.	H	α-helix	trans	-68.7	-25.3	178.5	-64.9	-55.7	-90.3	0	0	113.4	Y395 A396 E397 H401	Y395-Q399 HydrophobicContact CD1-CG 4.36Å; Y395-Q399 HydrophobicContact CD2-CG 4.28Å; Y395-Q399 HydrophobicContact CE1-CG 3.93Å; Y395-Q399 HydrophobicContact CE2-CG 3.82Å; Y395-Q399 WeakPolarHBondContact O-CG 3.46Å; Y395-Q399 PolarHBondContact O-N 3.04Å; A396-Q399 PolarHBondContact O-N 2.84Å; E397-Q399 VanDerWaalsContact C-N 3.31Å; E397-Q399 PolarHBondContact O-N 2.9Å; Q399-H401 VanDerWaalsContact C-N 3.33Å
400	R	94.1	Very high	94.5	Very high	180 Å²	180	76.8 Å²	76.8	68%	0.679	37%	0.366	S	S	*	.	H	α-helix	trans	-75	-22.6	175.1	-74.6	171	178.6	169.2	-5.5	113.6	A396 E397 I398	A396-R400 WeakPolarHBondContact O-CG 3.47Å; A396-R400 PolarHBondContact O-N 2.9Å; E397-R400 PolarHBondContact O-N 2.9Å; E397-R400 VanDerWaalsContact O-N 3.14Å; E397-R400 IonicContact OE1-CZ 3.89Å; E397-R400 IonicContact OE1-NH1 2.82Å; E397-R400 PolarHBondContact OE1-NH1 3.15Å; I398-R400 VanDerWaalsContact C-N 3.3Å; I398-R400 PolarHBondContact O-N 2.96Å
401	H	91.2	Very high	94.4	Very high	157 Å²	157	78.6 Å²	78.6	73%	0.727	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	0.8	-178.5	-66.8	-59.9	0	0	0	113.7	E397 I398 Q399	E397-H401 PolarHBondContact O-CD2 2.67Å; E397-H401 PolarHBondContact O-N 3.25Å; I398-H401 PolarHBondContact O-N 3.43Å; Q399-H401 VanDerWaalsContact C-N 3.33Å
402	Q	83.2	Confident	94.2	Very high	181 Å²	181	85.5 Å²	85.5	85%	0.846	41%	0.409	S	S	*	.			trans	-100.9	0	173.3	-71.6	178.4	-12.2	0	0	109.3	I398	I398-Q402 WeakPolarHBondContact O-CG 3.2Å; I398-Q402 PolarHBondContact O-N 2.87Å

Retrieved 402 of 402 residues in 96.8 ms (Link to these results)

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