A0A077Z8A0_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z8A0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 209 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	23	Very low	25.5	Very low	221 Å²	221	116 Å²	116	100%	1.089	62%	0.616	S	S	*	*				0	125.7	0	-69.8	-170.4	-83.4	0	0	107.3
2	Q	21.4	Very low	26	Very low	200 Å²	200	116.9 Å²	116.9	94%	0.935	63%	0.634	S	S	*	*			trans	-66.5	131.7	177.1	-118.2	172.4	-2.5	0	0	108.6	G4	Q2-G4 PolarHBondContact O-N 2.8Å; Q2-G4 VanDerWaalsContact O-N 3.16Å
3	Q	24.7	Very low	26.9	Very low	171 Å²	171	110 Å²	110	80%	0.799	60%	0.596	S	S	*	*			trans	-59.6	114.9	176.1	-76.2	178.3	-9.5	0	0	109.1	Q5	Q3-Q5 PolarHBondContact O-N 3.47Å
4	G	25.3	Very low	27.6	Very low	53 Å²	53	113.7 Å²	113.7	55%	0.546	62%	0.615	S	S	.	*	P	Polyproline II helix	trans	-77.4	116.8	174	0	0	0	0	0	110.1	Q2	Q2-G4 PolarHBondContact O-N 2.8Å; Q2-G4 VanDerWaalsContact O-N 3.16Å
5	Q	26	Very low	28.2	Very low	169 Å²	169	107.9 Å²	107.9	79%	0.79	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-62.6	135.3	163.6	-134.1	172.8	-6.4	0	0	107.8	Q3 V7	Q3-Q5 PolarHBondContact O-N 3.47Å; Q5-V7 WeakPolarHBondContact O-CG2 3.45Å; Q5-V7 PolarHBondContact O-N 2.88Å
6	F	27.6	Very low	28.7	Very low	71 Å²	71	103.2 Å²	103.2	31%	0.311	56%	0.563	S	S	.	*	P	Polyproline II helix	trans	-61.5	119.1	172	-88.6	-98.3	0	0	0	108.8	L60 D179 N185 L199	F6-L60 HydrophobicContact CD1-CD1 4.4Å; F6-L60 HydrophobicContact CE1-CD1 3.58Å; F6-L60 HydrophobicContact CZ-CD1 4.2Å; F6-D179 HydrophobicContact CB-CB 3.87Å; F6-D179 WeakPolarHBondContact CB-OD2 3.48Å; F6-D179 HydrophobicContact CG-CB 4.38Å; F6-N185 HydrophobicContact CE2-CB 4.16Å; F6-N185 HydrophobicContact CZ-CB 4.37Å; F6-L199 HydrophobicContact CE1-CD1 4.16Å; F6-L199 HydrophobicContact CE1-CD2 3.88Å; F6-L199 HydrophobicContact CZ-CD1 4.39Å; F6-L199 HydrophobicContact CZ-CD2 3.95Å; F6-L199 HydrophobicContact CZ-CG 4.49Å
7	V	22.4	Very low	28.8	Very low	107 Å²	107	103.5 Å²	103.5	65%	0.648	57%	0.572	S	S	*	*			trans	-124.8	89.4	176.6	-165.2	0	0	0	0	108.8	Q5 M59	Q5-V7 WeakPolarHBondContact O-CG2 3.45Å; Q5-V7 PolarHBondContact O-N 2.88Å; V7-M59 HydrophobicContact CG2-CE 4.42Å
8	G	25.2	Very low	29	Very low	34 Å²	34	101.2 Å²	101.2	35%	0.351	56%	0.558	S	S	.	*	S	Bend	trans	161.2	144.4	172.2	0	0	0	0	0	113.4	A10 L181	G8-A10 PolarHBondContact O-N 2.96Å; G8-L181 WeakPolarHBondContact O-CD1 3.41Å
9	K	25.4	Very low	29.5	Very low	175 Å²	175	96.9 Å²	96.9	76%	0.761	53%	0.534	S	S	*	.	P	Polyproline II helix	trans	-59.4	122.8	166.5	-96.8	-175.1	174	-178.4	0	108	A63	K9-A63 VanDerWaalsContact O-CB 3.27Å; K9-A63 WeakPolarHBondContact O-CB 3.28Å
10	A	29.8	Very low	29.8	Very low	35 Å²	35	95.2 Å²	95.2	29%	0.289	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-59.3	145.4	167.8	0	0	0	0	0	109.9	G8 Y183	G8-A10 PolarHBondContact O-N 2.96Å; A10-Y183 HydrophobicContact CB-CD1 4.31Å; A10-Y183 HydrophobicContact CB-CD2 4.33Å; A10-Y183 HydrophobicContact CB-CE1 3.56Å; A10-Y183 HydrophobicContact CB-CE2 3.65Å; A10-Y183 WeakPolarHBondContact CB-OH 3.48Å
11	P	29.8	Very low	30	Very low	40 Å²	40	94 Å²	94	26%	0.26	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-58.5	148.4	174.9	25.8	-34.3	0	0	0	110.2	I13 A63 L66	P11-I13 PolarHBondContact O-N 3.11Å; P11-A63 HydrophobicContact CB-CB 3.98Å; P11-L66 HydrophobicContact CB-CD1 4.34Å; P11-L66 HydrophobicContact CG-CD1 3.76Å
12	P	31.3	Very low	30.6	Very low	127 Å²	127	87 Å²	87	83%	0.825	47%	0.47	S	S	*	.	P	Polyproline II helix	trans	-53.8	121.3	175.2	22.1	-31	0	0	0	108.4	N14	P12-N14 PolarHBondContact O-N 3.34Å; P12-N14 VanDerWaalsContact O-N 3.08Å
13	I	37.5	Very low	31	Very low	27 Å²	27	79.7 Å²	79.7	14%	0.138	45%	0.448	C	S	.	.			trans	-75.8	107.2	-171.2	-49.9	171.2	0	0	0	106.6	P11 C15 C39 Y183 S201	P11-I13 PolarHBondContact O-N 3.11Å; I13-C15 PolarHBondContact O-N 3.06Å; I13-C15 PolarHBondContact O-SG 2.98Å; I13-C39 HydrophobicContact CB-CB 4.16Å; I13-C39 HydrophobicContact CD1-CB 4.03Å; I13-C39 HydrophobicContact CG2-CB 3.42Å; I13-C39 VanDerWaalsContact CG2-CB 3.42Å; I13-Y183 HydrophobicContact CD1-CE1 3.73Å; I13-Y183 HydrophobicContact CG1-CE1 4.45Å; I13-S201 VanDerWaalsContact CD1-CB 3.46Å; I13-S201 WeakPolarHBondContact CD1-OG 3.4Å
14	N	37.5	Very low	31.5	Very low	162 Å²	162	74.1 Å²	74.1	87%	0.866	42%	0.423	S	S	*	.			trans	-66.4	88.7	155.9	-103.4	-11.1	0	0	0	106	P12 S16	P12-N14 PolarHBondContact O-N 3.34Å; P12-N14 VanDerWaalsContact O-N 3.08Å; N14-S16 PolarHBondContact O-N 3.13Å
15	C	36.4	Very low	31.7	Very low	27 Å²	27	75.1 Å²	75.1	18%	0.182	43%	0.433	C	S	.	.			trans	-54.1	124.2	179.8	-65.8	0	0	0	0	108.8	I13 D19 K37 C39	I13-C15 PolarHBondContact O-N 3.06Å; I13-C15 PolarHBondContact O-SG 2.98Å; C15-D19 WeakPolarHBondContact CA-OD1 3.36Å; C15-D19 VanDerWaalsContact CB-OD1 3.24Å; C15-D19 WeakPolarHBondContact CB-OD1 3.42Å; C15-D19 WeakPolarHBondContact CB-OD2 2.77Å; C15-K37 HydrophobicContact CB-CD 4.29Å; C15-K37 VanDerWaalsContact CB-CE 3.4Å; C15-C39 HydrophobicContact CB-CB 3.88Å; C15-C39 WeakPolarHBondContact CB-SG 3.33Å; C15-C39 WeakPolarHBondContact SG-CB 3.03Å; C15-C39 CovalentContact SG-SG 2.05Å; C15-C39 PolarHBondContact SG-SG 2.92Å
16	S	35.8	Very low	32	Very low	32 Å²	32	75.2 Å²	75.2	22%	0.224	43%	0.431	C	S	.	.			trans	-73.5	152.7	-173.3	156.3	0	0	0	0	110	N14 L18 D19	N14-S16 PolarHBondContact O-N 3.13Å; S16-L18 PolarHBondContact O-N 2.76Å; S16-L18 PolarHBondContact OG-N 3.25Å; S16-D19 PolarHBondContact N-OD1 3.48Å; S16-D19 PolarHBondContact O-N 2.83Å
17	P	31.1	Very low	32.3	Very low	108 Å²	108	75.7 Å²	75.7	70%	0.701	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-6.4	173.7	21.3	-32.7	0	0	0	115.8	D19	P17-D19 VanDerWaalsContact C-N 3.31Å
18	L	32.3	Very low	32.9	Very low	63 Å²	63	81.1 Å²	81.1	33%	0.33	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	13.4	168.4	-81.2	156.8	0	0	0	114.7	S16 Y20	S16-L18 PolarHBondContact O-N 2.76Å; S16-L18 PolarHBondContact OG-N 3.25Å; L18-Y20 VanDerWaalsContact O-CD2 3.31Å; L18-Y20 WeakPolarHBondContact O-CD2 3.27Å; L18-Y20 PolarHBondContact O-N 2.75Å
19	D	37.7	Very low	33.1	Very low	19 Å²	19	83.4 Å²	83.4	10%	0.102	48%	0.476	C	S	.	.			trans	-60.3	121.6	-177.5	-65	-42.9	0	0	0	112.7	C15 S16 P17 Y21 K37	C15-D19 WeakPolarHBondContact CA-OD1 3.36Å; C15-D19 VanDerWaalsContact CB-OD1 3.24Å; C15-D19 WeakPolarHBondContact CB-OD1 3.42Å; C15-D19 WeakPolarHBondContact CB-OD2 2.77Å; S16-D19 PolarHBondContact N-OD1 3.48Å; S16-D19 PolarHBondContact O-N 2.83Å; P17-D19 VanDerWaalsContact C-N 3.31Å; D19-Y21 HydrophobicContact CB-CE2 4.2Å; D19-K37 HydrophobicContact CB-CD 4.45Å; D19-K37 VanDerWaalsContact CB-CE 3.4Å; D19-K37 HydrophobicContact CB-CG 4.06Å; D19-K37 WeakPolarHBondContact OD2-CE 3.17Å; D19-K37 IonicContact OD2-NZ 2.77Å; D19-K37 PolarHBondContact OD2-NZ 3.08Å
20	Y	35.6	Very low	33.4	Very low	62 Å²	62	77.8 Å²	77.8	24%	0.243	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	136	174.3	-84.4	-100.1	0	0	0	109.6	L18 K37 I38 F40 I107 F109 L141	L18-Y20 VanDerWaalsContact O-CD2 3.31Å; L18-Y20 WeakPolarHBondContact O-CD2 3.27Å; L18-Y20 PolarHBondContact O-N 2.75Å; Y20-K37 CarbonylContact O-C 3.24Å; Y20-I38 PolarHBondContact N-O 2.77Å; Y20-I38 PolarHBondContact O-N 2.81Å; Y20-F40 AromaticContact CD2-CE2 3.61Å; Y20-F40 HydrophobicContact CD2-CE2 3.61Å; Y20-F40 AromaticContact CD2-CZ 3.99Å; Y20-F40 HydrophobicContact CD2-CZ 3.99Å; Y20-F40 HydrophobicContact CE2-CE2 4.35Å; Y20-F40 HydrophobicContact CE2-CZ 4.45Å; Y20-F40 HydrophobicContact CG-CE2 4.4Å; Y20-I107 HydrophobicContact CE1-CD1 4.37Å; Y20-F109 HydrophobicContact CE1-CE2 4.25Å; Y20-L141 HydrophobicContact CD2-CD2 4.45Å; Y20-L141 HydrophobicContact CE2-CD2 3.64Å
21	Y	34.6	Very low	33.3	Very low	70 Å²	70	86.1 Å²	86.1	28%	0.275	50%	0.5	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.8	173.7	-65.3	-93.9	0	0	0	110.4	D19 L35 E36 K37 L106 M205	D19-Y21 HydrophobicContact CB-CE2 4.2Å; Y21-L35 HydrophobicContact CD1-CB 4.13Å; Y21-L35 HydrophobicContact CD1-CD2 4.48Å; Y21-L35 HydrophobicContact CG-CD2 4.49Å; Y21-E36 CarbonylContact C-O 3.48Å; Y21-E36 VanDerWaalsContact CA-O 3.25Å; Y21-E36 WeakPolarHBondContact CA-O 3.4Å; Y21-K37 HydrophobicContact CD1-CB 4.05Å; Y21-K37 HydrophobicContact CD1-CG 4.19Å; Y21-K37 HydrophobicContact CE1-CB 3.83Å; Y21-K37 HydrophobicContact CE1-CD 3.9Å; Y21-K37 HydrophobicContact CE1-CG 3.66Å; Y21-K37 WeakPolarHBondContact OH-CE 3.33Å; Y21-L106 HydrophobicContact CD2-CD2 3.84Å; Y21-L106 HydrophobicContact CG-CD2 3.91Å; Y21-M205 HydrophobicContact CE1-CG 4.12Å; Y21-M205 HydrophobicContact CE1-SD 4.06Å
22	R	35.3	Very low	33.3	Very low	76 Å²	76	85.8 Å²	85.8	29%	0.287	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	121.9	172.7	-179.5	-178.1	-172.4	-141.9	2.4	108.8	N24 E36	R22-N24 PolarHBondContact NE-OD1 3.49Å; R22-N24 PolarHBondContact NH1-OD1 2.81Å; R22-N24 PolarHBondContact O-N 2.89Å; R22-E36 HydrophobicContact CB-CB 4.12Å; R22-E36 WeakPolarHBondContact CD-OE2 3.27Å; R22-E36 PolarHBondContact N-O 3.2Å; R22-E36 IonicContact NH1-OE2 3.18Å; R22-E36 PolarHBondContact NH1-OE2 3.26Å; R22-E36 PolarHBondContact O-N 2.93Å
23	G	30	Very low	33.4	Very low	46 Å²	46	86.5 Å²	86.5	47%	0.474	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	107.9	164.9	0	0	0	0	0	109	G25	G23-G25 PolarHBondContact O-N 2.94Å
24	N	34	Very low	33.2	Very low	54 Å²	54	89.2 Å²	89.2	29%	0.289	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	127.4	163.9	-84.2	-24.9	0	0	0	107.6	R22 K26 L34 E36	R22-N24 PolarHBondContact NE-OD1 3.49Å; R22-N24 PolarHBondContact NH1-OD1 2.81Å; R22-N24 PolarHBondContact O-N 2.89Å; N24-K26 PolarHBondContact O-N 3.21Å; N24-L34 PolarHBondContact N-O 2.93Å; N24-E36 PolarHBondContact ND2-OE1 3.33Å; N24-E36 PolarHBondContact ND2-OE2 3.07Å
25	G	30.7	Very low	33.1	Very low	73 Å²	73	84 Å²	84	75%	0.753	48%	0.48	S	S	*	.	S	Bend	trans	-49.5	133.6	-173.7	0	0	0	0	0	112	G23	G23-G25 PolarHBondContact O-N 2.94Å
26	K	31.9	Very low	33	Very low	171 Å²	171	84.5 Å²	84.5	74%	0.743	48%	0.48	S	S	*	.			trans	6.9	116.6	174.4	-71.4	-173.7	175	-177.8	0	115.4	N24 K28	N24-K26 PolarHBondContact O-N 3.21Å; K26-K28 PolarHBondContact O-N 3.43Å
27	D	34.7	Very low	33.3	Very low	81 Å²	81	83.9 Å²	83.9	43%	0.433	47%	0.473	S	S	.	.			trans	-46.1	133.1	160.6	-92.6	-32.5	0	0	0	109.8	G29 L34	D27-G29 PolarHBondContact O-N 3.06Å; D27-L34 WeakPolarHBondContact OD1-CD1 3.19Å
28	K	33.7	Very low	33.9	Very low	222 Å²	222	79.4 Å²	79.4	97%	0.965	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	82.2	172.6	-69.8	-175.4	177.6	179.3	0	108.8	K26	K26-K28 PolarHBondContact O-N 3.43Å
29	G	30.5	Very low	34.4	Very low	82 Å²	82	76.4 Å²	76.4	85%	0.845	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	152.1	-9	172.7	0	0	0	0	0	119	D27	D27-G29 PolarHBondContact O-N 3.06Å
30	G	30.8	Very low	34.7	Very low	56 Å²	56	76 Å²	76	58%	0.577	43%	0.425	S	S	*	.	S	Bend	trans	118.2	141.6	174.1	0	0	0	0	0	114.5	G32	G30-G32 PolarHBondContact O-N 3Å
31	E	28.9	Very low	35	Very low	211 Å²	211	73.7 Å²	73.7	99%	0.986	42%	0.418	S	S	*	.	S	Bend	trans	52.2	54.9	162.9	-52.6	-163.5	170.2	0	0	117.7
32	G	30.1	Very low	35.4	Very low	33 Å²	33	72.1 Å²	72.1	34%	0.34	41%	0.412	S	S	.	.			trans	-163.7	120.5	165.2	0	0	0	0	0	111.5	G30	G30-G32 PolarHBondContact O-N 3Å
33	F	32.6	Very low	35.5	Very low	142 Å²	142	69.1 Å²	69.1	62%	0.623	40%	0.401	S	S	*	.			trans	-87.5	112.3	163	-82.1	-87.6	0	0	0	107.4	L35	F33-L35 PolarHBondContact O-N 3.47Å; F33-L35 VanDerWaalsContact O-N 3.11Å
34	L	33.7	Very low	35.7	Very low	84 Å²	84	69.8 Å²	69.8	44%	0.44	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	102.3	166.9	-76	168.6	0	0	0	108.1	N24 D27 E36	N24-L34 PolarHBondContact N-O 2.93Å; D27-L34 WeakPolarHBondContact OD1-CD1 3.19Å; L34-E36 PolarHBondContact O-N 3.12Å
35	L	34.3	Very low	35.6	Very low	51 Å²	51	71 Å²	71	27%	0.267	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	106.8	170.9	-73.6	161.4	0	0	0	108.1	Y21 F33 L106 M205	Y21-L35 HydrophobicContact CD1-CB 4.13Å; Y21-L35 HydrophobicContact CD1-CD2 4.48Å; Y21-L35 HydrophobicContact CG-CD2 4.49Å; F33-L35 PolarHBondContact O-N 3.47Å; F33-L35 VanDerWaalsContact O-N 3.11Å; L35-L106 HydrophobicContact CD2-CD2 4.35Å; L35-M205 HydrophobicContact CB-CE 4.26Å; L35-M205 HydrophobicContact CB-CG 4.05Å; L35-M205 HydrophobicContact CB-SD 4.25Å; L35-M205 HydrophobicContact CD1-CE 4Å; L35-M205 HydrophobicContact CD1-SD 4.32Å; L35-M205 WeakPolarHBondContact O-CG 3.4Å; L35-M205 PolarHBondContact O-N 3.31Å
36	E	35.8	Very low	35.5	Very low	38 Å²	38	67.9 Å²	67.9	18%	0.178	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	121.8	165.3	-82.1	178.3	172.2	0	0	108.2	Y21 R22 N24 L34 C203 T204	Y21-E36 CarbonylContact C-O 3.48Å; Y21-E36 VanDerWaalsContact CA-O 3.25Å; Y21-E36 WeakPolarHBondContact CA-O 3.4Å; R22-E36 HydrophobicContact CB-CB 4.12Å; R22-E36 WeakPolarHBondContact CD-OE2 3.27Å; R22-E36 PolarHBondContact N-O 3.2Å; R22-E36 IonicContact NH1-OE2 3.18Å; R22-E36 PolarHBondContact NH1-OE2 3.26Å; R22-E36 PolarHBondContact O-N 2.93Å; N24-E36 PolarHBondContact ND2-OE1 3.33Å; N24-E36 PolarHBondContact ND2-OE2 3.07Å; L34-E36 PolarHBondContact O-N 3.12Å; E36-C203 CarbonylContact C-O 3.58Å; E36-T204 HydrophobicContact CG-CG2 4.17Å
37	K	41.3	Very low	35.4	Very low	19 Å²	19	67.5 Å²	67.5	8%	0.083	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124.2	175.4	-168.5	178.4	-178.3	-179.1	0	108.9	C15 D19 Y20 Y21 T202 C203 C208	C15-K37 HydrophobicContact CB-CD 4.29Å; C15-K37 VanDerWaalsContact CB-CE 3.4Å; D19-K37 HydrophobicContact CB-CD 4.45Å; D19-K37 VanDerWaalsContact CB-CE 3.4Å; D19-K37 HydrophobicContact CB-CG 4.06Å; D19-K37 WeakPolarHBondContact OD2-CE 3.17Å; D19-K37 IonicContact OD2-NZ 2.77Å; D19-K37 PolarHBondContact OD2-NZ 3.08Å; Y20-K37 CarbonylContact O-C 3.24Å; Y21-K37 HydrophobicContact CD1-CB 4.05Å; Y21-K37 HydrophobicContact CD1-CG 4.19Å; Y21-K37 HydrophobicContact CE1-CB 3.83Å; Y21-K37 HydrophobicContact CE1-CD 3.9Å; Y21-K37 HydrophobicContact CE1-CG 3.66Å; Y21-K37 WeakPolarHBondContact OH-CE 3.33Å; K37-T202 CarbonylContact O-C 3.56Å; K37-T202 WeakPolarHBondContact O-CA 3.12Å; K37-C203 PolarHBondContact N-O 2.77Å; K37-C203 PolarHBondContact O-N 3.29Å; K37-C208 HydrophobicContact CD-CB 4.12Å
38	I	43.6	Very low	35.1	Very low	15 Å²	15	69.3 Å²	69.3	8%	0.077	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	105.7	174.1	-48.2	-175.1	0	0	0	106.6	Y20 F40 A200 S201 T202	Y20-I38 PolarHBondContact N-O 2.77Å; Y20-I38 PolarHBondContact O-N 2.81Å; I38-F40 HydrophobicContact CB-CE2 4.31Å; I38-F40 HydrophobicContact CG2-CD2 4.46Å; I38-F40 HydrophobicContact CG2-CE2 3.82Å; I38-F40 HydrophobicContact CG2-CZ 4.05Å; I38-A200 HydrophobicContact CG2-CB 4.24Å; I38-S201 CarbonylContact C-O 3.59Å; I38-S201 VanDerWaalsContact CA-O 3.32Å; I38-S201 WeakPolarHBondContact CA-O 3.3Å; I38-T202 HydrophobicContact CB-CG2 4.45Å; I38-T202 HydrophobicContact CD1-CG2 4.32Å; I38-T202 HydrophobicContact CG1-CG2 3.82Å; I38-T202 HydrophobicContact CG2-CG2 4.37Å
39	C	43.1	Very low	35	Very low	0 Å²	0	61.9 Å²	61.9	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	133	177.6	-52.7	0	0	0	0	109.7	I13 C15 A200 S201	I13-C39 HydrophobicContact CB-CB 4.16Å; I13-C39 HydrophobicContact CD1-CB 4.03Å; I13-C39 HydrophobicContact CG2-CB 3.42Å; I13-C39 VanDerWaalsContact CG2-CB 3.42Å; C15-C39 HydrophobicContact CB-CB 3.88Å; C15-C39 WeakPolarHBondContact CB-SG 3.33Å; C15-C39 WeakPolarHBondContact SG-CB 3.03Å; C15-C39 CovalentContact SG-SG 2.05Å; C15-C39 PolarHBondContact SG-SG 2.92Å; C39-A200 WeakPolarHBondContact O-CA 3.21Å; C39-S201 PolarHBondContact N-O 3.3Å; C39-S201 PolarHBondContact O-N 3.31Å
40	F	43.8	Very low	34.9	Very low	11 Å²	11	60 Å²	60	5%	0.048	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.3	-179.7	-66.1	-100.9	0	0	0	110.1	Y20 I38 F42 L141 I144 L186 I198 L199 A200	Y20-F40 AromaticContact CD2-CE2 3.61Å; Y20-F40 HydrophobicContact CD2-CE2 3.61Å; Y20-F40 AromaticContact CD2-CZ 3.99Å; Y20-F40 HydrophobicContact CD2-CZ 3.99Å; Y20-F40 HydrophobicContact CE2-CE2 4.35Å; Y20-F40 HydrophobicContact CE2-CZ 4.45Å; Y20-F40 HydrophobicContact CG-CE2 4.4Å; I38-F40 HydrophobicContact CB-CE2 4.31Å; I38-F40 HydrophobicContact CG2-CD2 4.46Å; I38-F40 HydrophobicContact CG2-CE2 3.82Å; I38-F40 HydrophobicContact CG2-CZ 4.05Å; F40-F42 HydrophobicContact CB-CE2 3.76Å; F40-F42 HydrophobicContact CB-CZ 3.98Å; F40-L141 HydrophobicContact CE1-CD2 4.11Å; F40-L141 HydrophobicContact CZ-CD2 3.91Å; F40-I144 HydrophobicContact CD1-CD1 4.28Å; F40-I144 HydrophobicContact CE1-CD1 3.17Å; F40-I144 HydrophobicContact CZ-CD1 3.56Å; F40-L186 HydrophobicContact CD1-CD1 4.49Å; F40-L186 HydrophobicContact CE1-CD1 4.32Å; F40-I198 HydrophobicContact CD1-CG2 4.41Å; F40-L199 CarbonylContact C-O 3.44Å; F40-L199 WeakPolarHBondContact CA-O 3.23Å; F40-A200 HydrophobicContact CD1-CB 4.39Å; F40-A200 HydrophobicContact CE1-CB 4.45Å
41	S	42.7	Very low	34.9	Very low	13 Å²	13	65 Å²	65	9%	0.091	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	119.7	172.1	-57.8	0	0	0	0	109.3	L199	S41-L199 PolarHBondContact N-O 2.82Å; S41-L199 PolarHBondContact O-N 3.3Å
42	F	41.3	Very low	35.1	Very low	37 Å²	37	58.6 Å²	58.6	16%	0.162	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	131.1	176.8	-58.2	-88.7	0	0	0	108.7	F40 F44 Y71 L137 Y197 I198	F40-F42 HydrophobicContact CB-CE2 3.76Å; F40-F42 HydrophobicContact CB-CZ 3.98Å; F42-F44 HydrophobicContact CB-CE2 3.92Å; F42-F44 HydrophobicContact CB-CZ 4.3Å; F42-Y71 PolarHBondContact N-OH 3.34Å; F42-Y71 WeakPolarHBondContact O-CE1 3.49Å; F42-Y71 PolarHBondContact O-OH 2.85Å; F42-L137 HydrophobicContact CE1-CD1 3.41Å; F42-L137 VanDerWaalsContact CE1-CD1 3.41Å; F42-L137 HydrophobicContact CZ-CD1 3.36Å; F42-Y197 CarbonylContact C-O 3.51Å; F42-Y197 WeakPolarHBondContact CA-O 3.28Å; F42-I198 HydrophobicContact CD1-CB 4.46Å; F42-I198 HydrophobicContact CD1-CD1 4.12Å; F42-I198 HydrophobicContact CD1-CG1 3.79Å; F42-I198 HydrophobicContact CD1-CG2 4.08Å; F42-I198 HydrophobicContact CE1-CB 4.5Å; F42-I198 HydrophobicContact CE1-CD1 3.94Å; F42-I198 HydrophobicContact CE1-CG1 3.99Å; F42-I198 HydrophobicContact CE1-CG2 3.74Å; F42-I198 HydrophobicContact CZ-CG2 4.41Å
43	F	38.5	Very low	35.2	Very low	12 Å²	12	57.9 Å²	57.9	5%	0.053	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	122.7	175.6	-58.4	-89.3	0	0	0	109.2	Y53 L60 Y197 L199	F43-Y53 AromaticContact CD1-CD1 3.56Å; F43-Y53 HydrophobicContact CD1-CD1 3.56Å; F43-Y53 HydrophobicContact CD1-CE1 4.04Å; F43-Y53 HydrophobicContact CD1-CG 4.29Å; F43-Y53 HydrophobicContact CE1-CD1 4.04Å; F43-Y53 HydrophobicContact CE1-CE1 4.36Å; F43-L60 HydrophobicContact CD1-CD2 4.42Å; F43-Y197 PolarHBondContact N-O 2.91Å; F43-Y197 PolarHBondContact O-N 2.7Å; F43-L199 HydrophobicContact CD2-CD1 3.71Å; F43-L199 HydrophobicContact CE2-CB 4.04Å; F43-L199 HydrophobicContact CE2-CD1 3.35Å; F43-L199 HydrophobicContact CE2-CG 4.29Å; F43-L199 HydrophobicContact CZ-CD1 4.31Å
44	F	33.7	Very low	35.2	Very low	60 Å²	60	52.5 Å²	52.5	26%	0.263	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.1	-178.8	-61.6	-91.7	0	0	0	109.5	F42 S195 V196	F42-F44 HydrophobicContact CB-CE2 3.92Å; F42-F44 HydrophobicContact CB-CZ 4.3Å; F44-S195 CarbonylContact C-O 3.5Å; F44-V196 HydrophobicContact CD1-CG1 4.37Å; F44-V196 HydrophobicContact CD1-CG2 3.72Å; F44-V196 HydrophobicContact CE1-CG1 4.08Å; F44-V196 HydrophobicContact CE1-CG2 3.76Å
45	K	31.8	Very low	35.4	Very low	80 Å²	80	50 Å²	50	35%	0.348	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	104.5	167.3	-171.4	180	-178.4	179.2	0	108.3	K194 S195	K45-K194 CarbonylContact O-C 3.59Å; K45-K194 WeakPolarHBondContact O-CA 3.11Å; K45-K194 WeakPolarHBondContact O-CB 3.48Å; K45-S195 PolarHBondContact N-O 3.29Å; K45-S195 PolarHBondContact O-N 2.74Å
46	G	27.8	Very low	35.6	Very low	8 Å²	8	53.2 Å²	53.2	8%	0.082	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	156.9	170.6	0	0	0	0	0	112.6	S48 V49	G46-S48 PolarHBondContact O-N 2.93Å; G46-V49 PolarHBondContact O-N 2.94Å; G46-V49 VanDerWaalsContact O-N 3.11Å
47	E	30.1	Very low	35.6	Very low	162 Å²	162	57 Å²	57	76%	0.757	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-25.7	178.6	-83.6	179.2	175.3	0	0	114.7	S193	E47-S193 VanDerWaalsContact OE1-CB 3.27Å; E47-S193 WeakPolarHBondContact OE1-CB 3.26Å
48	S	29.4	Very low	35.2	Very low	119 Å²	119	58.4 Å²	58.4	83%	0.832	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.7	-4.5	178.5	60.1	0	0	0	0	115.1	G46	G46-S48 PolarHBondContact O-N 2.93Å
49	V	30.2	Very low	34.7	Very low	66 Å²	66	61.2 Å²	61.2	40%	0.4	36%	0.358	S	S	.	.			trans	-107.2	16.8	-175.4	-157.2	0	0	0	0	110.8	G46 Q51	G46-V49 PolarHBondContact O-N 2.94Å; G46-V49 VanDerWaalsContact O-N 3.11Å; V49-Q51 PolarHBondContact O-N 3.3Å
50	A	29.8	Very low	34.4	Very low	42 Å²	42	63 Å²	63	35%	0.347	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	2.9	-163	0	0	0	0	0	115.5
51	Q	30.7	Very low	34.1	Very low	163 Å²	163	64 Å²	64	76%	0.762	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	-13.5	-173.7	-69.5	-173.7	-14.5	0	0	115.1	V49 N61	V49-Q51 PolarHBondContact O-N 3.3Å; Q51-N61 PolarHBondContact O-ND2 2.85Å
52	D	32.1	Very low	33.7	Very low	75 Å²	75	67 Å²	67	40%	0.401	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	-37.7	-170.7	-71.5	-10.7	0	0	0	113.1	N61 L66 P67	D52-N61 VanDerWaalsContact C-ND2 3.3Å; D52-N61 WeakPolarHBondContact O-CB 3.21Å; D52-N61 PolarHBondContact O-ND2 2.87Å; D52-L66 WeakPolarHBondContact O-CD2 3.15Å; D52-P67 HydrophobicContact CB-CG 4.25Å
53	Y	32.6	Very low	33.3	Very low	19 Å²	19	66.8 Å²	66.8	8%	0.075	40%	0.397	C	S	.	.	S	Bend	trans	-96.1	-17.8	177.6	-60.8	-81.5	0	0	0	113.2	F43 L60 N61 L66 P70	F43-Y53 AromaticContact CD1-CD1 3.56Å; F43-Y53 HydrophobicContact CD1-CD1 3.56Å; F43-Y53 HydrophobicContact CD1-CE1 4.04Å; F43-Y53 HydrophobicContact CD1-CG 4.29Å; F43-Y53 HydrophobicContact CE1-CD1 4.04Å; F43-Y53 HydrophobicContact CE1-CE1 4.36Å; Y53-L60 CarbonylContact O-C 3.56Å; Y53-L60 WeakPolarHBondContact O-CA 3.08Å; Y53-L60 WeakPolarHBondContact O-CD2 3.27Å; Y53-N61 PolarHBondContact O-N 3.11Å; Y53-L66 HydrophobicContact CD1-CD1 4.47Å; Y53-L66 HydrophobicContact CD1-CD2 3.4Å; Y53-L66 HydrophobicContact CD1-CG 4.46Å; Y53-L66 HydrophobicContact CE1-CD2 3.83Å; Y53-L66 HydrophobicContact CG-CD2 4.17Å; Y53-P70 HydrophobicContact CE1-CB 3.62Å; Y53-P70 WeakPolarHBondContact OH-CA 3.18Å; Y53-P70 WeakPolarHBondContact OH-CB 3.46Å
54	W	32.7	Very low	33.1	Very low	29 Å²	29	70.2 Å²	70.2	11%	0.11	44%	0.437	C	S	.	.	B	Isolated β-bridge	trans	-128.5	122.8	-173.6	-66.2	87.6	0	0	0	108.4	G58 M59 L60 Y197	W54-G58 VanDerWaalsContact CE3-O 3.25Å; W54-G58 WeakPolarHBondContact CZ3-O 3.48Å; W54-M59 CarbonylContact C-O 3.58Å; W54-M59 WeakPolarHBondContact CA-O 3.13Å; W54-M59 VanDerWaalsContact CE3-C 3.42Å; W54-L60 HydrophobicContact CD2-CG 4.42Å; W54-L60 HydrophobicContact CE3-CG 4.42Å; W54-L60 HydrophobicContact CH2-CD1 4.11Å; W54-L60 HydrophobicContact CH2-CG 3.83Å; W54-L60 HydrophobicContact CZ2-CD1 4.24Å; W54-L60 HydrophobicContact CZ2-CD2 4.14Å; W54-L60 HydrophobicContact CZ2-CG 3.79Å; W54-L60 HydrophobicContact CZ3-CG 4.16Å; W54-Y197 AromaticContact CE2-CE2 3.84Å; W54-Y197 AromaticContact CE2-CZ 3.86Å; W54-Y197 AromaticContact CH2-CD1 3.72Å; W54-Y197 HydrophobicContact CH2-CD1 3.72Å; W54-Y197 AromaticContact CH2-CE1 3.17Å; W54-Y197 HydrophobicContact CH2-CE1 3.17Å; W54-Y197 HydrophobicContact CH2-CE2 4.25Å; W54-Y197 HydrophobicContact CH2-CG 4.4Å; W54-Y197 AromaticContact CH2-CZ 3.5Å; W54-Y197 AromaticContact CZ2-CD1 3.43Å; W54-Y197 HydrophobicContact CZ2-CD1 3.43Å; W54-Y197 VanDerWaalsContact CZ2-CD1 3.43Å; W54-Y197 AromaticContact CZ2-CD2 3.68Å; W54-Y197 HydrophobicContact CZ2-CD2 3.68Å; W54-Y197 AromaticContact CZ2-CE1 3.17Å; W54-Y197 HydrophobicContact CZ2-CE1 3.17Å; W54-Y197 AromaticContact CZ2-CE2 3.49Å; W54-Y197 HydrophobicContact CZ2-CE2 3.49Å; W54-Y197 VanDerWaalsContact CZ2-CE2 3.49Å; W54-Y197 AromaticContact CZ2-CG 3.66Å; W54-Y197 HydrophobicContact CZ2-CG 3.66Å; W54-Y197 AromaticContact CZ2-CZ 3.22Å; W54-Y197 HydrophobicContact CZ3-CE1 4.25Å
55	S	37.9	Very low	33.1	Very low	32 Å²	32	69.9 Å²	69.9	22%	0.224	45%	0.445	C	S	.	.			trans	-58.6	156.3	167.1	61.8	0	0	0	0	109.9	T57 G58 M59 N61	S55-T57 PolarHBondContact O-N 3.46Å; S55-T57 PolarHBondContact OG-OG1 3.16Å; S55-G58 PolarHBondContact O-N 3.4Å; S55-M59 PolarHBondContact N-O 3.05Å; S55-M59 PolarHBondContact OG-N 2.98Å; S55-M59 PolarHBondContact OG-O 3.2Å; S55-N61 VanDerWaalsContact CA-OD1 3.28Å; S55-N61 WeakPolarHBondContact CA-OD1 3.34Å; S55-N61 WeakPolarHBondContact CB-OD1 3.36Å; S55-N61 PolarHBondContact N-OD1 2.9Å; S55-N61 VanDerWaalsContact N-OD1 3.13Å
56	A	38.6	Very low	33.2	Very low	118 Å²	118	67.2 Å²	67.2	98%	0.975	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-17.1	177.7	0	0	0	0	0	113.8
57	T	36.9	Very low	33.4	Very low	116 Å²	116	69.3 Å²	69.3	71%	0.712	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-1.1	177.6	58.2	0	0	0	0	113.8	S55	S55-T57 PolarHBondContact O-N 3.46Å; S55-T57 PolarHBondContact OG-OG1 3.16Å
58	G	32.7	Very low	33.5	Very low	50 Å²	50	65.8 Å²	65.8	52%	0.515	45%	0.454	S	S	.	.	S	Bend	trans	82.4	19.5	-179.4	0	0	0	0	0	114.3	W54 S55	W54-G58 VanDerWaalsContact CE3-O 3.25Å; W54-G58 WeakPolarHBondContact CZ3-O 3.48Å; S55-G58 PolarHBondContact O-N 3.4Å
59	M	32.8	Very low	33.6	Very low	73 Å²	73	65.4 Å²	65.4	36%	0.36	44%	0.442	S	S	.	.	S	Bend	trans	-102.8	152.3	168.1	-57.7	-146.6	-55.4	0	0	111.4	V7 W54 S55 N61	V7-M59 HydrophobicContact CG2-CE 4.42Å; W54-M59 CarbonylContact C-O 3.58Å; W54-M59 WeakPolarHBondContact CA-O 3.13Å; W54-M59 VanDerWaalsContact CE3-C 3.42Å; S55-M59 PolarHBondContact N-O 3.05Å; S55-M59 PolarHBondContact OG-N 2.98Å; S55-M59 PolarHBondContact OG-O 3.2Å; M59-N61 PolarHBondContact O-N 2.79Å
60	L	36.9	Very low	33.6	Very low	38 Å²	38	64.4 Å²	64.4	20%	0.199	44%	0.437	C	S	.	.	B	Isolated β-bridge	trans	-59	135.5	174.2	-88.8	149.7	0	0	0	110.9	F6 F43 Y53 W54 L199	F6-L60 HydrophobicContact CD1-CD1 4.4Å; F6-L60 HydrophobicContact CE1-CD1 3.58Å; F6-L60 HydrophobicContact CZ-CD1 4.2Å; F43-L60 HydrophobicContact CD1-CD2 4.42Å; Y53-L60 CarbonylContact O-C 3.56Å; Y53-L60 WeakPolarHBondContact O-CA 3.08Å; Y53-L60 WeakPolarHBondContact O-CD2 3.27Å; W54-L60 HydrophobicContact CD2-CG 4.42Å; W54-L60 HydrophobicContact CE3-CG 4.42Å; W54-L60 HydrophobicContact CH2-CD1 4.11Å; W54-L60 HydrophobicContact CH2-CG 3.83Å; W54-L60 HydrophobicContact CZ2-CD1 4.24Å; W54-L60 HydrophobicContact CZ2-CD2 4.14Å; W54-L60 HydrophobicContact CZ2-CG 3.79Å; W54-L60 HydrophobicContact CZ3-CG 4.16Å; L60-L199 HydrophobicContact CD1-CD1 3.94Å
61	N	38	Very low	33.6	Very low	33 Å²	33	65.1 Å²	65.1	18%	0.176	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-67	138.9	172.6	-84.4	-22.7	0	0	0	109.6	Q51 D52 Y53 S55 M59 A65 L66	Q51-N61 PolarHBondContact O-ND2 2.85Å; D52-N61 VanDerWaalsContact C-ND2 3.3Å; D52-N61 WeakPolarHBondContact O-CB 3.21Å; D52-N61 PolarHBondContact O-ND2 2.87Å; Y53-N61 PolarHBondContact O-N 3.11Å; S55-N61 VanDerWaalsContact CA-OD1 3.28Å; S55-N61 WeakPolarHBondContact CA-OD1 3.34Å; S55-N61 WeakPolarHBondContact CB-OD1 3.36Å; S55-N61 PolarHBondContact N-OD1 2.9Å; S55-N61 VanDerWaalsContact N-OD1 3.13Å; M59-N61 PolarHBondContact O-N 2.79Å; N61-A65 HydrophobicContact CB-CB 4.08Å; N61-L66 HydrophobicContact CB-CD2 4.17Å
62	P	32.8	Very low	33.4	Very low	74 Å²	74	57.9 Å²	57.9	48%	0.481	40%	0.401	S	S	.	.	P	Polyproline II helix	trans	-61	153.3	-179.5	24.4	-32.9	0	0	0	111.4	G64 A65	P62-G64 PolarHBondContact O-N 3.41Å; P62-A65 HydrophobicContact CG-CB 4.23Å; P62-A65 WeakPolarHBondContact O-CB 3.16Å; P62-A65 PolarHBondContact O-N 2.77Å
63	A	34.1	Very low	33.1	Very low	33 Å²	33	59.2 Å²	59.2	27%	0.273	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-49	-32.5	-173	0	0	0	0	0	115.7	K9 P11 A65 L66	K9-A63 VanDerWaalsContact O-CB 3.27Å; K9-A63 WeakPolarHBondContact O-CB 3.28Å; P11-A63 HydrophobicContact CB-CB 3.98Å; A63-A65 VanDerWaalsContact C-N 3.3Å; A63-A65 PolarHBondContact O-N 3.43Å; A63-L66 PolarHBondContact O-N 2.83Å
64	G	33.3	Very low	32.9	Very low	85 Å²	85	61.4 Å²	61.4	88%	0.876	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-76.9	-10.3	178.1	0	0	0	0	0	115.4	P62	P62-G64 PolarHBondContact O-N 3.41Å
65	A	33.2	Very low	32.6	Very low	53 Å²	53	64.2 Å²	64.2	44%	0.438	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-100.2	-2.5	176.3	0	0	0	0	0	112.5	N61 P62 A63	N61-A65 HydrophobicContact CB-CB 4.08Å; P62-A65 HydrophobicContact CG-CB 4.23Å; P62-A65 WeakPolarHBondContact O-CB 3.16Å; P62-A65 PolarHBondContact O-N 2.77Å; A63-A65 VanDerWaalsContact C-N 3.3Å; A63-A65 PolarHBondContact O-N 3.43Å
66	L	33.8	Very low	31.9	Very low	24 Å²	24	69.2 Å²	69.2	13%	0.126	47%	0.47	C	S	.	.	S	Bend	trans	-84	139	176.8	-59.9	-179.4	0	0	0	110.3	P11 D52 Y53 N61 A63 G68	P11-L66 HydrophobicContact CB-CD1 4.34Å; P11-L66 HydrophobicContact CG-CD1 3.76Å; D52-L66 WeakPolarHBondContact O-CD2 3.15Å; Y53-L66 HydrophobicContact CD1-CD1 4.47Å; Y53-L66 HydrophobicContact CD1-CD2 3.4Å; Y53-L66 HydrophobicContact CD1-CG 4.46Å; Y53-L66 HydrophobicContact CE1-CD2 3.83Å; Y53-L66 HydrophobicContact CG-CD2 4.17Å; N61-L66 HydrophobicContact CB-CD2 4.17Å; A63-L66 PolarHBondContact O-N 2.83Å; L66-G68 PolarHBondContact O-N 2.82Å
67	P	33.3	Very low	31.3	Very low	51 Å²	51	69.7 Å²	69.7	33%	0.331	46%	0.46	S	S	.	.			trans	-60	132	171.5	17.2	-22.5	0	0	0	109.5	D52 N69 P70	D52-P67 HydrophobicContact CB-CG 4.25Å; P67-N69 PolarHBondContact O-N 2.05Å; P67-P70 WeakPolarHBondContact O-CD 2.96Å
68	G	32.1	Very low	30.9	Very low	89 Å²	89	65.9 Å²	65.9	92%	0.918	45%	0.445	S	S	*	.	S	Bend	trans	-59.8	-14.2	-169.1	0	0	0	0	0	115.9	L66	L66-G68 PolarHBondContact O-N 2.82Å
69	N	31.2	Very low	30.4	Very low	110 Å²	110	64.8 Å²	64.8	59%	0.588	43%	0.433	S	S	*	.			trans	-130.3	81.7	169.3	-166.3	1.1	0	0	0	111	P67 Y71 G72	P67-N69 PolarHBondContact O-N 2.05Å; N69-Y71 PolarHBondContact O-N 3.26Å; N69-G72 PolarHBondContact OD1-N 3.23Å
70	P	30.6	Very low	30.2	Very low	45 Å²	45	67.7 Å²	67.7	29%	0.292	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-12.2	-174.3	29.1	-34.4	0	0	0	113.9	Y53 P67	Y53-P70 HydrophobicContact CE1-CB 3.62Å; Y53-P70 WeakPolarHBondContact OH-CA 3.18Å; Y53-P70 WeakPolarHBondContact OH-CB 3.46Å; P67-P70 WeakPolarHBondContact O-CD 2.96Å
71	Y	29	Very low	29.7	Very low	57 Å²	57	70.1 Å²	70.1	22%	0.224	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.5	-3.1	-173.4	-63	-68.1	0	0	0	114.4	F42 N69 P73 V74 L75	F42-Y71 PolarHBondContact N-OH 3.34Å; F42-Y71 WeakPolarHBondContact O-CE1 3.49Å; F42-Y71 PolarHBondContact O-OH 2.85Å; N69-Y71 PolarHBondContact O-N 3.26Å; Y71-P73 VanDerWaalsContact C-CD 3.44Å; Y71-P73 VanDerWaalsContact C-N 3.33Å; Y71-P73 VanDerWaalsContact O-N 3.12Å; Y71-V74 PolarHBondContact O-N 2.9Å; Y71-L75 HydrophobicContact CG-CD1 4.39Å; Y71-L75 PolarHBondContact O-N 2.76Å
72	G	26.1	Very low	29.1	Very low	12 Å²	12	71.6 Å²	71.6	12%	0.124	50%	0.5	C	S	.	.	H	α-helix	trans	-42.8	-50.7	-174.2	0	0	0	0	0	114.1	N69 V74 D76	N69-G72 PolarHBondContact OD1-N 3.23Å; G72-V74 PolarHBondContact O-N 3.36Å; G72-D76 WeakPolarHBondContact O-CB 3.15Å; G72-D76 VanDerWaalsContact O-CG 3.28Å; G72-D76 PolarHBondContact O-N 2.83Å; G72-D76 VanDerWaalsContact O-N 3.12Å
73	P	25.7	Very low	28.8	Very low	102 Å²	102	74 Å²	74	66%	0.662	50%	0.5	S	S	*	.	H	α-helix	trans	-74.9	-27	-176.6	-9.2	22.6	0	0	0	114.9	Y71 T77	Y71-P73 VanDerWaalsContact C-CD 3.44Å; Y71-P73 VanDerWaalsContact C-N 3.33Å; Y71-P73 VanDerWaalsContact O-N 3.12Å; P73-T77 PolarHBondContact O-OG1 2.79Å
74	V	28.6	Very low	28.3	Very low	66 Å²	66	77 Å²	77	40%	0.4	52%	0.519	S	S	.	.	H	α-helix	trans	-84.5	-32.9	-176.1	-178.9	0	0	0	0	111.3	Y71 G72	Y71-V74 PolarHBondContact O-N 2.9Å; G72-V74 PolarHBondContact O-N 3.36Å
75	L	26.2	Very low	28	Very low	87 Å²	87	76.2 Å²	76.2	46%	0.455	51%	0.511	S	S	.	.	H	α-helix	trans	-83.2	-33.5	176.2	-70	169.4	0	0	0	112.6	Y71 T77 G79 Y83	Y71-L75 HydrophobicContact CG-CD1 4.39Å; Y71-L75 PolarHBondContact O-N 2.76Å; L75-T77 VanDerWaalsContact C-N 3.28Å; L75-T77 PolarHBondContact O-N 3.1Å; L75-G79 PolarHBondContact O-N 3.05Å; L75-Y83 HydrophobicContact CD2-CE2 4.26Å
76	D	25	Very low	27.6	Very low	138 Å²	138	78.9 Å²	78.9	74%	0.738	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-15.7	-176.9	-81.4	-25.6	0	0	0	114.2	G72	G72-D76 WeakPolarHBondContact O-CB 3.15Å; G72-D76 VanDerWaalsContact O-CG 3.28Å; G72-D76 PolarHBondContact O-N 2.83Å; G72-D76 VanDerWaalsContact O-N 3.12Å
77	T	25.9	Very low	27.3	Very low	127 Å²	127	80.9 Å²	80.9	78%	0.779	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-13.2	-178.8	29.6	0	0	0	0	114.7	P73 L75	P73-T77 PolarHBondContact O-OG1 2.79Å; L75-T77 VanDerWaalsContact C-N 3.28Å; L75-T77 PolarHBondContact O-N 3.1Å
78	G	26.7	Very low	26.9	Very low	37 Å²	37	80.8 Å²	80.8	38%	0.381	53%	0.531	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-21.5	175.6	0	0	0	0	0	114.5	A82	G78-A82 WeakPolarHBondContact O-CB 3.1Å; G78-A82 PolarHBondContact O-N 2.86Å
79	G	24.2	Very low	26.6	Very low	27 Å²	27	81.1 Å²	81.1	28%	0.278	52%	0.52	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	166.5	-169.5	0	0	0	0	0	113	L75 A81 A82	L75-G79 PolarHBondContact O-N 3.05Å; G79-A81 PolarHBondContact O-N 2.82Å; G79-A82 PolarHBondContact O-N 3.23Å
80	P	27.2	Very low	26.2	Very low	133 Å²	133	81.2 Å²	81.2	86%	0.864	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-20.1	178.8	-22.9	32.7	0	0	0	114.1
81	A	26.3	Very low	26.1	Very low	90 Å²	90	81.3 Å²	81.3	74%	0.744	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-17	179.6	0	0	0	0	0	114.5	G79 Y83	G79-A81 PolarHBondContact O-N 2.82Å; A81-Y83 PolarHBondContact O-N 3.3Å
82	A	26.1	Very low	26	Very low	64 Å²	64	81.9 Å²	81.9	53%	0.529	53%	0.533	S	S	.	.	S	Bend	trans	-72.9	-13.7	175.9	0	0	0	0	0	113.4	G78 G79	G78-A82 WeakPolarHBondContact O-CB 3.1Å; G78-A82 PolarHBondContact O-N 2.86Å; G79-A82 PolarHBondContact O-N 3.23Å
83	Y	26.2	Very low	26.1	Very low	124 Å²	124	85.6 Å²	85.6	49%	0.486	56%	0.558	S	S	.	*			trans	-104.1	63.2	179.2	-63.3	-81.6	0	0	0	111	L75 A81	L75-Y83 HydrophobicContact CD2-CE2 4.26Å; A81-Y83 PolarHBondContact O-N 3.3Å
84	S	24.4	Very low	26.2	Very low	95 Å²	95	88.4 Å²	88.4	66%	0.664	57%	0.567	S	S	*	*			trans	-108.8	75.8	168	169.7	0	0	0	0	109.3	V86	S84-V86 PolarHBondContact O-N 2.92Å
85	G	26.2	Very low	26.1	Very low	69 Å²	69	88.3 Å²	88.3	71%	0.711	56%	0.564	S	S	*	*			trans	-82.7	92.4	175.5	0	0	0	0	0	111.4
86	V	25.4	Very low	26	Very low	109 Å²	109	89.2 Å²	89.2	66%	0.661	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-80.1	118.8	161.9	-178.2	0	0	0	0	106.8	S84	S84-V86 PolarHBondContact O-N 2.92Å
87	L	26.8	Very low	26	Very low	67 Å²	67	91 Å²	91	35%	0.351	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-53.3	133.2	172.1	-81.4	157	0	0	0	109.1	S89 L91 I107	L87-S89 PolarHBondContact O-N 3.13Å; L87-L91 HydrophobicContact CB-CB 4.42Å; L87-L91 HydrophobicContact CB-CD1 4.38Å; L87-L91 HydrophobicContact CD2-CD1 3.88Å; L87-I107 HydrophobicContact CD1-CD1 4.29Å
88	P	24.8	Very low	25.9	Very low	48 Å²	48	89.3 Å²	89.3	31%	0.312	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-56.6	134.3	-178	2.9	-9.3	0	0	0	111.4	P90 L91 A124	P88-P90 VanDerWaalsContact C-N 3.32Å; P88-P90 HydrophobicContact CB-CG 4.47Å; P88-P90 VanDerWaalsContact O-CD 3.28Å; P88-P90 WeakPolarHBondContact O-CD 3.24Å; P88-L91 HydrophobicContact CG-CD1 3.83Å; P88-L91 VanDerWaalsContact O-CB 3.32Å; P88-L91 WeakPolarHBondContact O-CB 3.12Å; P88-L91 PolarHBondContact O-N 3.48Å; P88-A124 HydrophobicContact CG-CB 4.06Å
89	S	25.2	Very low	25.7	Very low	97 Å²	97	94 Å²	94	68%	0.678	59%	0.588	S	S	*	*	G	3₁₀ helix	trans	-41.8	-33.5	-174.6	-62.5	0	0	0	0	118.6	L87 L91 V92	L87-S89 PolarHBondContact O-N 3.13Å; S89-L91 PolarHBondContact O-N 3.1Å; S89-L91 VanDerWaalsContact O-N 3.15Å; S89-V92 WeakPolarHBondContact O-CB 3.49Å; S89-V92 PolarHBondContact O-N 3.36Å
90	P	24.1	Very low	25.7	Very low	111 Å²	111	97.6 Å²	97.6	72%	0.721	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-61.7	-15.4	172.1	21.1	-33.6	0	0	0	114.7	P88 S93	P88-P90 VanDerWaalsContact C-N 3.32Å; P88-P90 HydrophobicContact CB-CG 4.47Å; P88-P90 VanDerWaalsContact O-CD 3.28Å; P88-P90 WeakPolarHBondContact O-CD 3.24Å; P90-S93 PolarHBondContact O-OG 2.99Å
91	L	27.7	Very low	25.4	Very low	47 Å²	47	100.2 Å²	100.2	25%	0.246	61%	0.61	C	S	.	*	G	3₁₀ helix	trans	-87.2	-12.3	172.5	-67.6	151.2	0	0	0	112.7	L87 P88 S89 L95 F117	L87-L91 HydrophobicContact CB-CB 4.42Å; L87-L91 HydrophobicContact CB-CD1 4.38Å; L87-L91 HydrophobicContact CD2-CD1 3.88Å; P88-L91 HydrophobicContact CG-CD1 3.83Å; P88-L91 VanDerWaalsContact O-CB 3.32Å; P88-L91 WeakPolarHBondContact O-CB 3.12Å; P88-L91 PolarHBondContact O-N 3.48Å; S89-L91 PolarHBondContact O-N 3.1Å; S89-L91 VanDerWaalsContact O-N 3.15Å; L91-L95 WeakPolarHBondContact O-CD1 3.45Å; L91-F117 HydrophobicContact CD2-CE2 4.17Å
92	V	27.9	Very low	25.2	Very low	69 Å²	69	99.4 Å²	99.4	42%	0.418	61%	0.611	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.7	-17.7	-172.1	-173.2	0	0	0	0	112.6	S89 D94 L95	S89-V92 WeakPolarHBondContact O-CB 3.49Å; S89-V92 PolarHBondContact O-N 3.36Å; V92-D94 VanDerWaalsContact C-N 3.27Å; V92-D94 PolarHBondContact O-N 3.39Å; V92-L95 HydrophobicContact CG1-CB 4.48Å; V92-L95 WeakPolarHBondContact O-CB 3.4Å; V92-L95 PolarHBondContact O-N 3.24Å
93	S	26.8	Very low	25	Very low	90 Å²	90	100.2 Å²	100.2	63%	0.629	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-67.1	-25.7	179.6	48.5	0	0	0	0	114	P90	P90-S93 PolarHBondContact O-OG 2.99Å
94	D	28.5	Very low	24.8	Very low	161 Å²	161	102.6 Å²	102.6	86%	0.861	63%	0.628	S	S	*	*	G	3₁₀ helix	trans	-89.1	-3.1	173.5	-114.5	-13.9	0	0	0	113.2	V92	V92-D94 VanDerWaalsContact C-N 3.27Å; V92-D94 PolarHBondContact O-N 3.39Å
95	L	27.3	Very low	24.8	Very low	65 Å²	65	104.4 Å²	104.4	34%	0.34	63%	0.63	S	S	.	*	G	3₁₀ helix	trans	-92.6	9.9	-179.8	-81.1	161.4	0	0	0	113.1	L91 V92 Q97 L98	L91-L95 WeakPolarHBondContact O-CD1 3.45Å; V92-L95 HydrophobicContact CG1-CB 4.48Å; V92-L95 WeakPolarHBondContact O-CB 3.4Å; V92-L95 PolarHBondContact O-N 3.24Å; L95-Q97 PolarHBondContact O-N 3.02Å; L95-L98 HydrophobicContact CD2-CD1 3.76Å; L95-L98 PolarHBondContact O-N 2.85Å
96	S	24.1	Very low	24.8	Very low	105 Å²	105	105.1 Å²	105.1	73%	0.734	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	19.5	-169.2	58	0	0	0	0	116.7
97	Q	24.9	Very low	24.8	Very low	177 Å²	177	102.8 Å²	102.8	83%	0.827	60%	0.6	S	S	*	*	T	Hydrogen-bonded Turn	trans	-134.1	13.2	173.2	-74.3	-165	-14.3	0	0	115.8	L95 T99	L95-Q97 PolarHBondContact O-N 3.02Å; Q97-T99 PolarHBondContact O-N 3.28Å
98	L	23.5	Very low	24.8	Very low	91 Å²	91	106.6 Å²	106.6	48%	0.476	61%	0.614	S	S	.	*			trans	-93.1	84.9	170.9	-67.7	174.5	0	0	0	110	L95	L95-L98 HydrophobicContact CD2-CD1 3.76Å; L95-L98 PolarHBondContact O-N 2.85Å
99	T	21.5	Very low	24.9	Very low	134 Å²	134	108.4 Å²	108.4	82%	0.822	62%	0.617	S	S	*	*			trans	-58.7	127	168	9.7	0	0	0	0	109.7	Q97 M101	Q97-T99 PolarHBondContact O-N 3.28Å; T99-M101 PolarHBondContact O-N 2.76Å
100	P	24.1	Very low	25	Very low	104 Å²	104	109.2 Å²	109.2	68%	0.675	61%	0.614	S	S	*	*			trans	-86.4	115	-171.5	31.6	-30.6	0	0	0	110.2
101	M	20.7	Very low	25.1	Very low	188 Å²	188	110.3 Å²	110.3	93%	0.926	62%	0.624	S	S	*	*			trans	-144.6	105.9	162.9	-79.9	-168.3	53.1	0	0	111.3	T99	T99-M101 PolarHBondContact O-N 2.76Å
102	G	22.4	Very low	24.9	Very low	73 Å²	73	112.5 Å²	112.5	75%	0.753	64%	0.643	S	S	*	*	S	Bend	trans	78.5	51.9	151.7	0	0	0	0	0	118.3
103	S	22.6	Very low	25	Very low	81 Å²	81	111.6 Å²	111.6	57%	0.566	64%	0.636	S	S	*	*	S	Bend	trans	164.6	82.2	153.3	41.4	0	0	0	0	107.5	N105 L106	S103-N105 PolarHBondContact O-N 3.36Å; S103-L106 WeakPolarHBondContact OG-CD1 3.22Å
104	Q	22	Very low	25	Very low	174 Å²	174	114.9 Å²	114.9	81%	0.813	64%	0.641	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	76.4	-159.9	-65	-172.1	3.5	0	0	113.4
105	N	24.8	Very low	24.8	Very low	133 Å²	133	111.1 Å²	111.1	71%	0.711	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	-171.9	36.3	148.2	-87.6	-20.1	0	0	0	112.8	S103 I107	S103-N105 PolarHBondContact O-N 3.36Å; N105-I107 PolarHBondContact O-N 2.86Å
106	L	25.1	Very low	24.7	Very low	83 Å²	83	112.3 Å²	112.3	44%	0.435	64%	0.644	S	S	.	*			trans	-84	103.9	176.8	-69.1	168.9	0	0	0	111	Y21 L35 S103	Y21-L106 HydrophobicContact CD2-CD2 3.84Å; Y21-L106 HydrophobicContact CG-CD2 3.91Å; L35-L106 HydrophobicContact CD2-CD2 4.35Å; S103-L106 WeakPolarHBondContact OG-CD1 3.22Å
107	I	26.8	Very low	24.9	Very low	61 Å²	61	110.1 Å²	110.1	31%	0.313	62%	0.621	S	S	.	*			trans	-91.4	112.9	171.7	-56.9	174	0	0	0	108.8	Y20 L87 N105 F109	Y20-I107 HydrophobicContact CE1-CD1 4.37Å; L87-I107 HydrophobicContact CD1-CD1 4.29Å; N105-I107 PolarHBondContact O-N 2.86Å; I107-F109 HydrophobicContact CB-CE2 4.46Å; I107-F109 HydrophobicContact CG2-CD1 4.22Å; I107-F109 HydrophobicContact CG2-CD2 4.14Å; I107-F109 HydrophobicContact CG2-CE1 3.78Å; I107-F109 HydrophobicContact CG2-CE2 3.66Å; I107-F109 HydrophobicContact CG2-CG 4.42Å; I107-F109 HydrophobicContact CG2-CZ 3.48Å; I107-F109 VanDerWaalsContact CG2-CZ 3.48Å
108	K	26.2	Very low	25.1	Very low	146 Å²	146	104.8 Å²	104.8	64%	0.635	60%	0.598	S	S	*	*			trans	-100.4	111.6	173.5	-170	-179.5	-178.4	-176.4	0	109.3
109	F	27.3	Very low	25.5	Very low	86 Å²	86	104.8 Å²	104.8	38%	0.377	60%	0.604	S	S	.	*			trans	-85.3	125.8	175.2	-64.8	-72.4	0	0	0	110.3	Y20 I107 I113 F117 Y145	Y20-F109 HydrophobicContact CE1-CE2 4.25Å; I107-F109 HydrophobicContact CB-CE2 4.46Å; I107-F109 HydrophobicContact CG2-CD1 4.22Å; I107-F109 HydrophobicContact CG2-CD2 4.14Å; I107-F109 HydrophobicContact CG2-CE1 3.78Å; I107-F109 HydrophobicContact CG2-CE2 3.66Å; I107-F109 HydrophobicContact CG2-CG 4.42Å; I107-F109 HydrophobicContact CG2-CZ 3.48Å; I107-F109 VanDerWaalsContact CG2-CZ 3.48Å; F109-I113 HydrophobicContact CB-CD1 3.93Å; F109-I113 HydrophobicContact CD1-CD1 3.4Å; F109-I113 HydrophobicContact CE1-CD1 4.3Å; F109-I113 HydrophobicContact CG-CD1 4.08Å; F109-F117 HydrophobicContact CE1-CE1 4.44Å; F109-F117 AromaticContact CE1-CZ 3.99Å; F109-F117 HydrophobicContact CE1-CZ 3.99Å; F109-Y145 HydrophobicContact CG-CE2 4.44Å
110	N	25.7	Very low	25.9	Very low	115 Å²	115	100.7 Å²	100.7	62%	0.615	58%	0.583	S	S	*	*			trans	-73.2	151.9	172	-94.4	-13.4	0	0	0	110.6	S112	N110-S112 PolarHBondContact O-N 3.28Å
111	S	26.6	Very low	26.3	Very low	134 Å²	134	96.7 Å²	96.7	94%	0.937	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.6	11	-177.5	54.9	0	0	0	0	115.6
112	S	24.9	Very low	26.9	Very low	92 Å²	92	88.6 Å²	88.6	64%	0.643	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.5	23.3	-169.4	60.1	0	0	0	0	113.8	N110 Q114	N110-S112 PolarHBondContact O-N 3.28Å; S112-Q114 PolarHBondContact O-N 3.31Å
113	I	29	Very low	27.3	Very low	51 Å²	51	87.9 Å²	87.9	26%	0.262	51%	0.509	S	S	.	.			trans	-75.5	113.3	175.9	-66.6	174.4	0	0	0	109	F109 F117 Y145	F109-I113 HydrophobicContact CB-CD1 3.93Å; F109-I113 HydrophobicContact CD1-CD1 3.4Å; F109-I113 HydrophobicContact CE1-CD1 4.3Å; F109-I113 HydrophobicContact CG-CD1 4.08Å; I113-F117 HydrophobicContact CG2-CB 4.03Å; I113-F117 HydrophobicContact CG2-CD2 4.06Å; I113-F117 HydrophobicContact CG2-CG 4.26Å; I113-Y145 VanDerWaalsContact CB-OH 3.23Å; I113-Y145 WeakPolarHBondContact CB-OH 3.43Å; I113-Y145 VanDerWaalsContact CG2-OH 3.3Å; I113-Y145 WeakPolarHBondContact CG2-OH 3.25Å
114	Q	26.2	Very low	27.7	Very low	159 Å²	159	85 Å²	85	74%	0.743	49%	0.49	S	S	*	.			trans	-59.4	153	173	-65.6	-175.3	-27.9	0	0	110	S112 P116	S112-Q114 PolarHBondContact O-N 3.31Å; Q114-P116 VanDerWaalsContact C-N 3.3Å; Q114-P116 VanDerWaalsContact CB-CD 3.5Å; Q114-P116 HydrophobicContact CB-CG 4.37Å; Q114-P116 WeakPolarHBondContact O-CD 2.98Å
115	A	24.4	Very low	28.3	Very low	82 Å²	82	79.2 Å²	79.2	68%	0.678	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-12.4	-179.3	0	0	0	0	0	118.8	F117	A115-F117 PolarHBondContact O-N 2.02Å
116	P	26.3	Very low	28.7	Very low	89 Å²	89	74.9 Å²	74.9	58%	0.578	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	6.6	-178.7	7.2	4.9	0	0	0	115.6	Q114 L118 P119	Q114-P116 VanDerWaalsContact C-N 3.3Å; Q114-P116 VanDerWaalsContact CB-CD 3.5Å; Q114-P116 HydrophobicContact CB-CG 4.37Å; Q114-P116 WeakPolarHBondContact O-CD 2.98Å; P116-L118 PolarHBondContact O-N 3.38Å; P116-P119 WeakPolarHBondContact O-CD 3.38Å
117	F	27.9	Very low	28.9	Very low	60 Å²	60	74 Å²	74	26%	0.263	45%	0.453	S	S	.	.	H	α-helix	trans	-65.6	-25.6	177.9	-154.7	-95.1	0	0	0	113.3	L91 F109 I113 A115 A121	L91-F117 HydrophobicContact CD2-CE2 4.17Å; F109-F117 HydrophobicContact CE1-CE1 4.44Å; F109-F117 AromaticContact CE1-CZ 3.99Å; F109-F117 HydrophobicContact CE1-CZ 3.99Å; I113-F117 HydrophobicContact CG2-CB 4.03Å; I113-F117 HydrophobicContact CG2-CD2 4.06Å; I113-F117 HydrophobicContact CG2-CG 4.26Å; A115-F117 PolarHBondContact O-N 2.02Å; F117-A121 HydrophobicContact CD1-CB 4.29Å; F117-A121 HydrophobicContact CE1-CB 4.23Å; F117-A121 WeakPolarHBondContact O-CB 3.32Å; F117-A121 PolarHBondContact O-N 2.74Å; F117-A121 VanDerWaalsContact O-N 3.08Å
118	L	29.7	Very low	29	Very low	65 Å²	65	75.4 Å²	75.4	34%	0.34	46%	0.461	S	S	.	.	H	α-helix	trans	-70.4	-47	-169.7	-71.7	158.9	0	0	0	114.5	P116 A142	P116-L118 PolarHBondContact O-N 3.38Å; L118-A142 HydrophobicContact CD2-CB 3.51Å
119	P	31	Very low	29.3	Very low	91 Å²	91	74 Å²	74	59%	0.591	46%	0.456	S	S	*	.	H	α-helix	trans	-72.2	-30.8	176.6	-16.5	32.5	0	0	0	112.2	P116 A123	P116-P119 WeakPolarHBondContact O-CD 3.38Å; P119-A123 WeakPolarHBondContact O-CB 3.08Å; P119-A123 PolarHBondContact O-N 3.42Å
120	A	30.3	Very low	29.5	Very low	47 Å²	47	76.1 Å²	76.1	39%	0.388	48%	0.478	S	S	.	.	H	α-helix	trans	-74.4	-37.5	-176.8	0	0	0	0	0	112.9	A124	A120-A124 WeakPolarHBondContact O-CB 3.46Å; A120-A124 PolarHBondContact O-N 3.07Å
121	A	31.8	Very low	29.9	Very low	21 Å²	21	73.5 Å²	73.5	17%	0.174	47%	0.467	C	S	.	.	H	α-helix	trans	-70	-42.2	175.9	0	0	0	0	0	112.1	F117 A124 F125	F117-A121 HydrophobicContact CD1-CB 4.29Å; F117-A121 HydrophobicContact CE1-CB 4.23Å; F117-A121 WeakPolarHBondContact O-CB 3.32Å; F117-A121 PolarHBondContact O-N 2.74Å; F117-A121 VanDerWaalsContact O-N 3.08Å; A121-A124 PolarHBondContact O-N 2.84Å; A121-F125 WeakPolarHBondContact O-CD2 3.49Å; A121-F125 PolarHBondContact O-N 2.8Å
122	A	34.2	Very low	30.2	Very low	18 Å²	18	72.7 Å²	72.7	15%	0.149	45%	0.448	C	S	.	.	H	α-helix	trans	-64.2	-41.9	173.6	0	0	0	0	0	111.9	S126	A122-S126 WeakPolarHBondContact O-CB 3.47Å; A122-S126 PolarHBondContact O-N 2.94Å; A122-S126 PolarHBondContact O-OG 3.3Å
123	A	30.8	Very low	30.7	Very low	57 Å²	57	71.6 Å²	71.6	47%	0.471	44%	0.438	S	S	.	.	H	α-helix	trans	-70.1	-34.3	175.8	0	0	0	0	0	113.6	P119 S126 G127	P119-A123 WeakPolarHBondContact O-CB 3.08Å; P119-A123 PolarHBondContact O-N 3.42Å; A123-S126 WeakPolarHBondContact CA-OG 3.36Å; A123-S126 PolarHBondContact O-OG 3.28Å; A123-G127 PolarHBondContact O-N 3.24Å
124	A	31.1	Very low	31.1	Very low	20 Å²	20	69.4 Å²	69.4	17%	0.165	43%	0.428	C	S	.	.	H	α-helix	trans	-70.9	-38.3	177.6	0	0	0	0	0	111.7	P88 A120 A121 G127 L128	P88-A124 HydrophobicContact CG-CB 4.06Å; A120-A124 WeakPolarHBondContact O-CB 3.46Å; A120-A124 PolarHBondContact O-N 3.07Å; A121-A124 PolarHBondContact O-N 2.84Å; A124-G127 PolarHBondContact O-N 3.01Å; A124-L128 WeakPolarHBondContact O-CB 3.44Å; A124-L128 PolarHBondContact O-N 3.45Å
125	F	34.9	Very low	31.7	Very low	53 Å²	53	64.3 Å²	64.3	23%	0.232	41%	0.406	C	S	.	.	H	α-helix	trans	-73.9	-35	175.2	-90.5	-83	0	0	0	113	A121 G127 L128 H129 L137 L141	A121-F125 WeakPolarHBondContact O-CD2 3.49Å; A121-F125 PolarHBondContact O-N 2.8Å; F125-G127 VanDerWaalsContact C-N 3.29Å; F125-L128 PolarHBondContact O-N 3.44Å; F125-H129 PolarHBondContact O-N 2.93Å; F125-L137 HydrophobicContact CD1-CD2 4.04Å; F125-L137 HydrophobicContact CE1-CD2 3.84Å; F125-L141 HydrophobicContact CE2-CD1 4.08Å; F125-L141 HydrophobicContact CZ-CD1 4.2Å
126	S	32.1	Very low	32.4	Very low	42 Å²	42	60.7 Å²	60.7	29%	0.294	38%	0.376	S	S	.	.	H	α-helix	trans	-69.4	-27.5	170.3	67.6	0	0	0	0	112.6	A122 A123 H129 P130	A122-S126 WeakPolarHBondContact O-CB 3.47Å; A122-S126 PolarHBondContact O-N 2.94Å; A122-S126 PolarHBondContact O-OG 3.3Å; A123-S126 WeakPolarHBondContact CA-OG 3.36Å; A123-S126 PolarHBondContact O-OG 3.28Å; S126-H129 CarbonylContact O-C 3.46Å; S126-H129 VanDerWaalsContact O-C 3.24Å; S126-P130 WeakPolarHBondContact O-CA 2.71Å
127	G	28.9	Very low	33.3	Very low	64 Å²	64	57.9 Å²	57.9	66%	0.66	36%	0.356	S	S	*	.	H	α-helix	trans	-74.1	-34.8	171.7	0	0	0	0	0	114.5	A123 A124 F125	A123-G127 PolarHBondContact O-N 3.24Å; A124-G127 PolarHBondContact O-N 3.01Å; F125-G127 VanDerWaalsContact C-N 3.29Å
128	L	30.7	Very low	34	Very low	92 Å²	92	55.1 Å²	55.1	48%	0.482	34%	0.344	S	S	.	.	H	α-helix	trans	-77.1	-25.6	175.9	-90.3	151.6	0	0	0	112.9	A124 F125	A124-L128 WeakPolarHBondContact O-CB 3.44Å; A124-L128 PolarHBondContact O-N 3.45Å; F125-L128 PolarHBondContact O-N 3.44Å
129	H	30.8	Very low	34.6	Very low	116 Å²	116	56.5 Å²	56.5	54%	0.537	35%	0.347	S	S	.	.			trans	-146.1	98.2	175.7	-124.1	-95	0	0	0	108.4	F125 S126 T131	F125-H129 PolarHBondContact O-N 2.93Å; S126-H129 CarbonylContact O-C 3.46Å; S126-H129 VanDerWaalsContact O-C 3.24Å; H129-T131 PolarHBondContact ND1-OG1 2.96Å; H129-T131 PolarHBondContact O-N 3.06Å
130	P	32.4	Very low	35.3	Very low	130 Å²	130	52.2 Å²	52.2	84%	0.844	32%	0.319	S	S	*	.			trans	-67	11	179	27	-33.4	0	0	0	113.5	S126	S126-P130 WeakPolarHBondContact O-CA 2.71Å
131	T	33.1	Very low	36.2	Very low	61 Å²	61	51.2 Å²	51.2	37%	0.374	31%	0.308	S	S	.	.	S	Bend	trans	-85.7	140.6	173.4	61.6	0	0	0	0	110	H129 T133 G134	H129-T131 PolarHBondContact ND1-OG1 2.96Å; H129-T131 PolarHBondContact O-N 3.06Å; T131-T133 PolarHBondContact O-N 3.44Å; T131-G134 PolarHBondContact O-N 3.25Å
132	Q	33.2	Very low	36.7	Very low	117 Å²	117	51.1 Å²	51.1	55%	0.547	31%	0.306	S	S	.	.	H	α-helix	trans	-51.2	-20.2	-179.8	-63	175.2	-17.6	0	0	114.9	A136 L191	Q132-A136 PolarHBondContact O-N 2.77Å; Q132-L191 HydrophobicContact CB-CD2 3.29Å; Q132-L191 HydrophobicContact CG-CD2 4.31Å
133	T	36.8	Very low	37	Very low	68 Å²	68	51.9 Å²	51.9	42%	0.417	31%	0.311	S	S	.	.	H	α-helix	trans	-66	-37.5	174.4	-40.4	0	0	0	0	113.9	T131 D135 A136 L137	T131-T133 PolarHBondContact O-N 3.44Å; T133-D135 VanDerWaalsContact C-N 3.32Å; T133-A136 PolarHBondContact O-N 3.26Å; T133-L137 PolarHBondContact O-N 3.43Å
134	G	36.6	Very low	37.6	Very low	6 Å²	6	50.4 Å²	50.4	6%	0.062	30%	0.295	C	S	.	.	H	α-helix	trans	-68	-35.3	178.5	0	0	0	0	0	111.9	T131 L137 G138	T131-G134 PolarHBondContact O-N 3.25Å; G134-L137 PolarHBondContact O-N 3.45Å; G134-G138 PolarHBondContact O-N 3.17Å
135	D	37.8	Very low	38	Very low	52 Å²	52	51.6 Å²	51.6	28%	0.278	30%	0.295	S	S	.	.	H	α-helix	trans	-69.4	-38.9	177.5	-152.4	49.7	0	0	0	111.7	T133 K139	T133-D135 VanDerWaalsContact C-N 3.32Å; D135-K139 WeakPolarHBondContact O-CB 3.39Å; D135-K139 WeakPolarHBondContact O-CD 3.31Å; D135-K139 VanDerWaalsContact O-CG 3.23Å; D135-K139 WeakPolarHBondContact O-CG 3.5Å; D135-K139 PolarHBondContact O-N 2.86Å; D135-K139 WeakPolarHBondContact OD2-CE 3.42Å; D135-K139 IonicContact OD2-NZ 2.73Å; D135-K139 PolarHBondContact OD2-NZ 3.43Å
136	A	40.7	Very low	38.1	Very low	5 Å²	5	50.4 Å²	50.4	4%	0.041	29%	0.293	C	S	.	.	H	α-helix	trans	-66.6	-40	173.7	0	0	0	0	0	112.5	Q132 T133 K139 A140 Y189	Q132-A136 PolarHBondContact O-N 2.77Å; T133-A136 PolarHBondContact O-N 3.26Å; A136-K139 PolarHBondContact O-N 3.49Å; A136-A140 WeakPolarHBondContact O-CB 3.42Å; A136-A140 PolarHBondContact O-N 3.48Å; A136-Y189 HydrophobicContact CB-CD1 4.47Å; A136-Y189 HydrophobicContact CB-CD2 4.12Å; A136-Y189 HydrophobicContact CB-CG 3.91Å
137	L	44.3	Very low	38.2	Very low	31 Å²	31	49.2 Å²	49.2	16%	0.162	28%	0.284	C	S	.	.	H	α-helix	trans	-66.3	-44.6	176.2	-176.8	68.4	0	0	0	111.8	F42 F125 T133 G134 K139 A140 L141	F42-L137 HydrophobicContact CE1-CD1 3.41Å; F42-L137 VanDerWaalsContact CE1-CD1 3.41Å; F42-L137 HydrophobicContact CZ-CD1 3.36Å; F125-L137 HydrophobicContact CD1-CD2 4.04Å; F125-L137 HydrophobicContact CE1-CD2 3.84Å; T133-L137 PolarHBondContact O-N 3.43Å; G134-L137 PolarHBondContact O-N 3.45Å; L137-K139 VanDerWaalsContact C-N 3.31Å; L137-K139 PolarHBondContact O-N 3.11Å; L137-A140 PolarHBondContact O-N 2.74Å; L137-L141 HydrophobicContact CG-CD1 4.14Å; L137-L141 WeakPolarHBondContact O-CG 3.49Å; L137-L141 PolarHBondContact O-N 2.72Å
138	G	42.7	Very low	38.5	Very low	1 Å²	1	50.5 Å²	50.5	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-39.5	175.7	0	0	0	0	0	112.6	G134 A142	G134-G138 PolarHBondContact O-N 3.17Å; G138-A142 VanDerWaalsContact O-CB 3.25Å; G138-A142 WeakPolarHBondContact O-CB 3.35Å; G138-A142 PolarHBondContact O-N 3.46Å
139	K	43.3	Very low	38.4	Very low	94 Å²	94	50.4 Å²	50.4	41%	0.409	27%	0.272	S	S	.	.	H	α-helix	trans	-68.5	-37.8	175.8	-73.7	166.8	177.8	161.8	0	112.8	D135 A136 L137 A142 S143 Y189	D135-K139 WeakPolarHBondContact O-CB 3.39Å; D135-K139 WeakPolarHBondContact O-CD 3.31Å; D135-K139 VanDerWaalsContact O-CG 3.23Å; D135-K139 WeakPolarHBondContact O-CG 3.5Å; D135-K139 PolarHBondContact O-N 2.86Å; D135-K139 WeakPolarHBondContact OD2-CE 3.42Å; D135-K139 IonicContact OD2-NZ 2.73Å; D135-K139 PolarHBondContact OD2-NZ 3.43Å; A136-K139 PolarHBondContact O-N 3.49Å; L137-K139 VanDerWaalsContact C-N 3.31Å; L137-K139 PolarHBondContact O-N 3.11Å; K139-A142 PolarHBondContact O-N 2.96Å; K139-S143 PolarHBondContact O-N 2.96Å; K139-Y189 HydrophobicContact CB-CE1 3.84Å; K139-Y189 WeakPolarHBondContact CB-OH 3.46Å; K139-Y189 HydrophobicContact CD-CE1 4Å
140	A	45.8	Very low	38.3	Very low	1 Å²	1	46.5 Å²	46.5	1%	0.008	26%	0.258	C	S	.	.	H	α-helix	trans	-69	-41	175.7	0	0	0	0	0	112.6	A136 L137 S143 I144 L186 Y189 I198	A136-A140 WeakPolarHBondContact O-CB 3.42Å; A136-A140 PolarHBondContact O-N 3.48Å; L137-A140 PolarHBondContact O-N 2.74Å; A140-S143 WeakPolarHBondContact O-CB 3.4Å; A140-S143 PolarHBondContact O-N 3.28Å; A140-I144 WeakPolarHBondContact O-CG1 3.25Å; A140-I144 PolarHBondContact O-N 2.73Å; A140-I144 VanDerWaalsContact O-N 3.12Å; A140-L186 HydrophobicContact CB-CB 4.37Å; A140-L186 HydrophobicContact CB-CD1 4.41Å; A140-Y189 HydrophobicContact CB-CE2 4.39Å; A140-I198 HydrophobicContact CB-CB 4.39Å; A140-I198 HydrophobicContact CB-CD1 3.42Å; A140-I198 VanDerWaalsContact CB-CD1 3.42Å; A140-I198 HydrophobicContact CB-CG1 4.46Å; A140-I198 HydrophobicContact CB-CG2 4.21Å
141	L	47.3	Very low	38.3	Very low	27 Å²	27	45.4 Å²	45.4	14%	0.141	25%	0.249	C	C	.	.	H	α-helix	trans	-64.4	-40.3	173.8	-75.7	165.7	0	0	0	111.7	Y20 F40 F125 L137 S143 I144 Y145	Y20-L141 HydrophobicContact CD2-CD2 4.45Å; Y20-L141 HydrophobicContact CE2-CD2 3.64Å; F40-L141 HydrophobicContact CE1-CD2 4.11Å; F40-L141 HydrophobicContact CZ-CD2 3.91Å; F125-L141 HydrophobicContact CE2-CD1 4.08Å; F125-L141 HydrophobicContact CZ-CD1 4.2Å; L137-L141 HydrophobicContact CG-CD1 4.14Å; L137-L141 WeakPolarHBondContact O-CG 3.49Å; L137-L141 PolarHBondContact O-N 2.72Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 3.43Å; L141-I144 PolarHBondContact O-N 3.05Å; L141-Y145 WeakPolarHBondContact O-CB 3.49Å; L141-Y145 PolarHBondContact O-N 3.16Å; L141-Y145 VanDerWaalsContact O-N 3.07Å
142	A	43.5	Very low	38	Very low	18 Å²	18	49.1 Å²	49.1	15%	0.149	27%	0.266	C	S	.	.	H	α-helix	trans	-60.3	-39.7	173	0	0	0	0	0	112.8	L118 G138 K139 Y145 S146	L118-A142 HydrophobicContact CD2-CB 3.51Å; G138-A142 VanDerWaalsContact O-CB 3.25Å; G138-A142 WeakPolarHBondContact O-CB 3.35Å; G138-A142 PolarHBondContact O-N 3.46Å; K139-A142 PolarHBondContact O-N 2.96Å; A142-Y145 PolarHBondContact O-N 3.04Å; A142-S146 PolarHBondContact O-N 2.89Å
143	S	40.8	Very low	37.8	Very low	34 Å²	34	45.9 Å²	45.9	24%	0.238	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-44.8	176.2	170.6	0	0	0	0	112.5	K139 A140 L141 Y145 S146 D147	K139-S143 PolarHBondContact O-N 2.96Å; A140-S143 WeakPolarHBondContact O-CB 3.4Å; A140-S143 PolarHBondContact O-N 3.28Å; L141-S143 VanDerWaalsContact C-N 3.33Å; L141-S143 PolarHBondContact O-N 3.43Å; S143-Y145 VanDerWaalsContact C-N 3.31Å; S143-Y145 PolarHBondContact O-N 3.05Å; S143-S146 PolarHBondContact O-N 3.37Å; S143-D147 PolarHBondContact O-N 2.96Å; S143-D147 VanDerWaalsContact O-N 3.14Å
144	I	43.4	Very low	37.5	Very low	27 Å²	27	48.2 Å²	48.2	14%	0.138	28%	0.279	C	S	.	.	H	α-helix	trans	-63.9	-38.6	176.9	-64.7	161.6	0	0	0	111.7	F40 A140 L141 D147 Q148 L186 A200	F40-I144 HydrophobicContact CD1-CD1 4.28Å; F40-I144 HydrophobicContact CE1-CD1 3.17Å; F40-I144 HydrophobicContact CZ-CD1 3.56Å; A140-I144 WeakPolarHBondContact O-CG1 3.25Å; A140-I144 PolarHBondContact O-N 2.73Å; A140-I144 VanDerWaalsContact O-N 3.12Å; L141-I144 PolarHBondContact O-N 3.05Å; I144-D147 WeakPolarHBondContact O-CB 3.41Å; I144-D147 PolarHBondContact O-N 3.44Å; I144-Q148 PolarHBondContact O-N 2.92Å; I144-L186 HydrophobicContact CD1-CD1 3.27Å; I144-L186 HydrophobicContact CD1-CD2 4.11Å; I144-L186 HydrophobicContact CD1-CG 4.32Å; I144-L186 HydrophobicContact CG1-CD1 3.56Å; I144-L186 HydrophobicContact CG1-CD2 3.38Å; I144-L186 HydrophobicContact CG1-CG 4.1Å; I144-A200 HydrophobicContact CD1-CB 4.35Å
145	Y	39.5	Very low	36.9	Very low	45 Å²	45	56.1 Å²	56.1	18%	0.176	31%	0.314	C	S	.	.	H	α-helix	trans	-67.5	-38.7	178.8	-170.4	-94.1	0	0	0	111.9	F109 I113 L141 A142 S143 D147 Q148 L149	F109-Y145 HydrophobicContact CG-CE2 4.44Å; I113-Y145 VanDerWaalsContact CB-OH 3.23Å; I113-Y145 WeakPolarHBondContact CB-OH 3.43Å; I113-Y145 VanDerWaalsContact CG2-OH 3.3Å; I113-Y145 WeakPolarHBondContact CG2-OH 3.25Å; L141-Y145 WeakPolarHBondContact O-CB 3.49Å; L141-Y145 PolarHBondContact O-N 3.16Å; L141-Y145 VanDerWaalsContact O-N 3.07Å; A142-Y145 PolarHBondContact O-N 3.04Å; S143-Y145 VanDerWaalsContact C-N 3.31Å; S143-Y145 PolarHBondContact O-N 3.05Å; Y145-D147 VanDerWaalsContact C-N 3.26Å; Y145-D147 PolarHBondContact O-N 3.39Å; Y145-Q148 WeakPolarHBondContact O-CB 3.23Å; Y145-Q148 PolarHBondContact O-N 3.04Å; Y145-Q148 VanDerWaalsContact O-N 3.16Å; Y145-L149 HydrophobicContact CD1-CD1 4.3Å; Y145-L149 HydrophobicContact CE1-CD1 3.98Å; Y145-L149 PolarHBondContact O-N 2.67Å
146	S	36.1	Very low	36.4	Very low	27 Å²	27	60 Å²	60	19%	0.189	33%	0.334	C	S	.	.	H	α-helix	trans	-63.7	-32	173.4	-158.1	0	0	0	0	112.5	A142 S143 L149 S150	A142-S146 PolarHBondContact O-N 2.89Å; S143-S146 PolarHBondContact O-N 3.37Å; S146-L149 PolarHBondContact O-N 3.19Å; S146-S150 PolarHBondContact O-N 2.72Å; S146-S150 VanDerWaalsContact O-N 3.16Å; S146-S150 PolarHBondContact O-OG 2.93Å; S146-S150 VanDerWaalsContact O-OG 3.09Å
147	D	35.5	Very low	35.5	Very low	18 Å²	18	65.1 Å²	65.1	10%	0.096	37%	0.369	C	S	.	.	H	α-helix	trans	-67.8	-31	172.7	-89.2	-0.3	0	0	0	113.7	S143 I144 Y145 S150 N175 R184	S143-D147 PolarHBondContact O-N 2.96Å; S143-D147 VanDerWaalsContact O-N 3.14Å; I144-D147 WeakPolarHBondContact O-CB 3.41Å; I144-D147 PolarHBondContact O-N 3.44Å; Y145-D147 VanDerWaalsContact C-N 3.26Å; Y145-D147 PolarHBondContact O-N 3.39Å; D147-S150 VanDerWaalsContact CA-OG 3.27Å; D147-S150 WeakPolarHBondContact CA-OG 3.42Å; D147-S150 PolarHBondContact O-N 3.34Å; D147-S150 PolarHBondContact O-OG 2.79Å; D147-S150 VanDerWaalsContact O-OG 3.07Å; D147-N175 VanDerWaalsContact OD1-CG 3.27Å; D147-N175 PolarHBondContact OD1-ND2 3.48Å; D147-N175 PolarHBondContact OD1-OD1 3.45Å; D147-R184 VanDerWaalsContact CG-NH1 3.35Å; D147-R184 IonicContact OD1-NH1 3.93Å; D147-R184 IonicContact OD2-CZ 3.63Å; D147-R184 IonicContact OD2-NE 3.99Å; D147-R184 IonicContact OD2-NH1 2.67Å; D147-R184 PolarHBondContact OD2-NH1 3.37Å
148	Q	33.5	Very low	34.6	Very low	90 Å²	90	69.8 Å²	69.8	42%	0.421	39%	0.385	S	S	.	.	H	α-helix	trans	-70.8	-35.1	174.1	-67.3	-74.7	-42.7	0	0	112	I144 Y145 S150	I144-Q148 PolarHBondContact O-N 2.92Å; Y145-Q148 WeakPolarHBondContact O-CB 3.23Å; Y145-Q148 PolarHBondContact O-N 3.04Å; Y145-Q148 VanDerWaalsContact O-N 3.16Å; Q148-S150 VanDerWaalsContact C-N 3.29Å; Q148-S150 PolarHBondContact O-N 2.96Å
149	L	30	Very low	33.7	Very low	90 Å²	90	75 Å²	75	47%	0.471	42%	0.419	S	S	.	.	H	α-helix	trans	-68.1	-30.6	173.5	-82.4	161.5	0	0	0	112.1	Y145 S146 V151 N152	Y145-L149 HydrophobicContact CD1-CD1 4.3Å; Y145-L149 HydrophobicContact CE1-CD1 3.98Å; Y145-L149 PolarHBondContact O-N 2.67Å; S146-L149 PolarHBondContact O-N 3.19Å; L149-V151 VanDerWaalsContact C-N 3.31Å; L149-V151 PolarHBondContact O-N 3.28Å; L149-N152 PolarHBondContact O-N 3.32Å
150	S	28	Very low	32.8	Very low	35 Å²	35	74.6 Å²	74.6	25%	0.245	43%	0.433	C	S	.	.	G	3₁₀ helix	trans	-82.4	-1.1	-178.1	49	0	0	0	0	115.4	S146 D147 Q148 N152 A153	S146-S150 PolarHBondContact O-N 2.72Å; S146-S150 VanDerWaalsContact O-N 3.16Å; S146-S150 PolarHBondContact O-OG 2.93Å; S146-S150 VanDerWaalsContact O-OG 3.09Å; D147-S150 VanDerWaalsContact CA-OG 3.27Å; D147-S150 WeakPolarHBondContact CA-OG 3.42Å; D147-S150 PolarHBondContact O-N 3.34Å; D147-S150 PolarHBondContact O-OG 2.79Å; D147-S150 VanDerWaalsContact O-OG 3.07Å; Q148-S150 VanDerWaalsContact C-N 3.29Å; Q148-S150 PolarHBondContact O-N 2.96Å; S150-N152 PolarHBondContact O-N 3.03Å; S150-A153 WeakPolarHBondContact O-CB 3.47Å; S150-A153 PolarHBondContact O-N 3.18Å
151	V	32.6	Very low	32.2	Very low	107 Å²	107	76.5 Å²	76.5	65%	0.648	45%	0.448	S	S	*	.	G	3₁₀ helix	trans	-68.6	-13.3	162.7	-164.4	0	0	0	0	111.2	L149	L149-V151 VanDerWaalsContact C-N 3.31Å; L149-V151 PolarHBondContact O-N 3.28Å
152	N	27.7	Very low	31.3	Very low	139 Å²	139	79.1 Å²	79.1	74%	0.743	47%	0.474	S	S	*	.	G	3₁₀ helix	trans	-102.6	15.9	164.5	-76.6	-18.7	0	0	0	113.3	L149 S150 S154	L149-N152 PolarHBondContact O-N 3.32Å; S150-N152 PolarHBondContact O-N 3.03Å; N152-S154 PolarHBondContact O-N 3.44Å
153	A	28	Very low	30.5	Very low	48 Å²	48	82 Å²	82	40%	0.397	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	34.5	-170.1	0	0	0	0	0	117.1	S150 E155	S150-A153 WeakPolarHBondContact O-CB 3.47Å; S150-A153 PolarHBondContact O-N 3.18Å; A153-E155 PolarHBondContact O-N 3.49Å
154	S	29.7	Very low	29.9	Very low	118 Å²	118	83.9 Å²	83.9	83%	0.825	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-9.7	153.9	32.6	0	0	0	0	112.3	N152	N152-S154 PolarHBondContact O-N 3.44Å
155	E	25.8	Very low	29.3	Very low	172 Å²	172	83.6 Å²	83.6	80%	0.804	52%	0.517	S	S	*	.	S	Bend	trans	-129.4	-3.3	-170.4	-65	-171.3	162.7	0	0	117.2	A153	A153-E155 PolarHBondContact O-N 3.49Å
156	L	25.8	Very low	28.8	Very low	134 Å²	134	85 Å²	85	70%	0.702	54%	0.538	S	S	*	.			trans	-115	95.2	177.5	-107.4	86.4	0	0	0	112.1	W158	L156-W158 PolarHBondContact O-N 3.23Å
157	S	22.8	Very low	28.4	Very low	112 Å²	112	91.1 Å²	91.1	78%	0.783	57%	0.569	S	S	*	*			trans	-61.6	115.8	156.4	42.7	0	0	0	0	108.5
158	W	25	Very low	28	Very low	128 Å²	128	94.8 Å²	94.8	49%	0.485	60%	0.596	S	S	.	*			trans	-51.5	133	165.4	-84.7	73.4	0	0	0	108.4	L156 A160	L156-W158 PolarHBondContact O-N 3.23Å; W158-A160 PolarHBondContact O-N 3.16Å
159	P	24.6	Very low	27.7	Very low	112 Å²	112	93.7 Å²	93.7	73%	0.727	61%	0.608	S	S	*	*			trans	-59.6	121.5	160.5	26.2	-28.8	0	0	0	105.2	A161	P159-A161 PolarHBondContact O-N 3.28Å
160	A	24.3	Very low	27.5	Very low	85 Å²	85	90.8 Å²	90.8	70%	0.702	60%	0.6	S	S	*	*			trans	-46.6	99.7	-178	0	0	0	0	0	110.1	W158 A162	W158-A160 PolarHBondContact O-N 3.16Å; A160-A162 PolarHBondContact O-N 3.14Å
161	A	31.7	Very low	27.4	Very low	40 Å²	40	95.8 Å²	95.8	33%	0.331	62%	0.62	S	S	.	*	T	Hydrogen-bonded Turn	trans	-75	15.6	-176.4	0	0	0	0	0	112.5	P159 A163 A165	P159-A161 PolarHBondContact O-N 3.28Å; A161-A163 PolarHBondContact O-N 3.4Å; A161-A165 WeakPolarHBondContact O-CB 3.44Å; A161-A165 PolarHBondContact O-N 3.32Å
162	A	28.9	Very low	27.3	Very low	83 Å²	83	95.7 Å²	95.7	69%	0.686	62%	0.619	S	S	*	*	H	α-helix	trans	-61.8	-25.6	168.1	0	0	0	0	0	111.8	A160	A160-A162 PolarHBondContact O-N 3.14Å
163	A	26.7	Very low	27.2	Very low	77 Å²	77	92.9 Å²	92.9	64%	0.636	60%	0.604	S	S	*	*	H	α-helix	trans	-82.7	-35.5	-179.1	0	0	0	0	0	114.2	A161	A161-A163 PolarHBondContact O-N 3.4Å
164	A	28.3	Very low	27.2	Very low	75 Å²	75	94.4 Å²	94.4	62%	0.62	61%	0.611	S	S	*	*	H	α-helix	trans	-88.2	-22.7	-176.1	0	0	0	0	0	114.1
165	A	31	Very low	27.2	Very low	21 Å²	21	92.4 Å²	92.4	17%	0.174	59%	0.591	C	S	.	*	H	α-helix	trans	-77.4	-28	178.2	0	0	0	0	0	112.6	A161 D167 S168 G169 G170 V172	A161-A165 WeakPolarHBondContact O-CB 3.44Å; A161-A165 PolarHBondContact O-N 3.32Å; A165-D167 PolarHBondContact O-N 3.05Å; A165-S168 PolarHBondContact O-N 3.39Å; A165-G169 PolarHBondContact O-N 3.12Å; A165-G170 WeakPolarHBondContact CB-O 3.42Å; A165-G170 PolarHBondContact O-N 3.47Å; A165-V172 HydrophobicContact CB-CG2 4.42Å
166	A	28.3	Very low	27.2	Very low	75 Å²	75	88.4 Å²	88.4	62%	0.62	59%	0.588	S	S	*	*	H	α-helix	trans	-67.1	-34.3	-179.2	0	0	0	0	0	113.1	S168	A166-S168 VanDerWaalsContact C-N 3.33Å; A166-S168 PolarHBondContact O-N 3.43Å
167	D	28.4	Very low	27.4	Very low	155 Å²	155	85 Å²	85	83%	0.829	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.7	-9.8	-176.5	-69.9	-22.8	0	0	0	114	A165	A165-D167 PolarHBondContact O-N 3.05Å
168	S	27.6	Very low	27.8	Very low	94 Å²	94	82.9 Å²	82.9	66%	0.657	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.6	0.6	-179	57.7	0	0	0	0	114.6	A165 A166 G170	A165-S168 PolarHBondContact O-N 3.39Å; A166-S168 VanDerWaalsContact C-N 3.33Å; A166-S168 PolarHBondContact O-N 3.43Å; S168-G170 PolarHBondContact O-N 3.27Å
169	G	25.8	Very low	28	Very low	67 Å²	67	77.9 Å²	77.9	69%	0.691	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.8	11.5	-177.5	0	0	0	0	0	114.6	A165	A165-G169 PolarHBondContact O-N 3.12Å
170	G	27.5	Very low	28.2	Very low	29 Å²	29	78.6 Å²	78.6	30%	0.299	55%	0.552	S	S	.	*			trans	-79.9	140.5	176.7	0	0	0	0	0	111.8	A165 S168	A165-G170 WeakPolarHBondContact CB-O 3.42Å; A165-G170 PolarHBondContact O-N 3.47Å; S168-G170 PolarHBondContact O-N 3.27Å
171	Q	25.7	Very low	28.5	Very low	140 Å²	140	78.4 Å²	78.4	65%	0.654	54%	0.539	S	S	*	.			trans	-103.1	123.5	167.2	-86.9	-170	-22.7	0	0	109.9
172	V	29.3	Very low	28.4	Very low	106 Å²	106	78 Å²	78	64%	0.642	54%	0.538	S	S	*	.			trans	-89.4	115.8	169.5	-178.6	0	0	0	0	107.9	A165	A165-V172 HydrophobicContact CB-CG2 4.42Å
173	L	26.8	Very low	28.6	Very low	79 Å²	79	75.8 Å²	75.8	41%	0.414	51%	0.512	S	S	.	.			trans	-82.3	140.7	174.5	-75.3	164.3	0	0	0	110
174	S	27.2	Very low	29	Very low	80 Å²	80	76.7 Å²	76.7	56%	0.559	50%	0.499	S	S	*	.			trans	-63.6	138.7	-178.1	59.6	0	0	0	0	112.6	A176	S174-A176 PolarHBondContact O-N 3Å
175	N	30.3	Very low	29.4	Very low	76 Å²	76	75.1 Å²	75.1	41%	0.406	48%	0.481	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.9	-4.6	179.8	-93.8	12	0	0	0	118.1	D147	D147-N175 VanDerWaalsContact OD1-CG 3.27Å; D147-N175 PolarHBondContact OD1-ND2 3.48Å; D147-N175 PolarHBondContact OD1-OD1 3.45Å
176	A	25.6	Very low	29.7	Very low	88 Å²	88	74.6 Å²	74.6	73%	0.727	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-9.6	-176.6	0	0	0	0	0	114.6	S174 T178	S174-A176 PolarHBondContact O-N 3Å; A176-T178 PolarHBondContact O-N 3.07Å
177	A	29.6	Very low	30	Very low	62 Å²	62	71.6 Å²	71.6	51%	0.512	45%	0.451	S	S	.	.			trans	-92.6	67.6	-176.6	0	0	0	0	0	111.7
178	T	31.5	Very low	30.2	Very low	68 Å²	68	67.9 Å²	67.9	42%	0.417	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-83.5	115.4	151.1	-22.7	0	0	0	0	104.5	A176 R184	A176-T178 PolarHBondContact O-N 3.07Å; T178-R184 HydrophobicContact CG2-CG 4.09Å
179	D	29.6	Very low	30.5	Very low	24 Å²	24	66.1 Å²	66.1	13%	0.128	41%	0.409	C	S	.	.			trans	-66.1	166.1	175.8	86.8	-10.3	0	0	0	110	F6 L181 G182 Y183	F6-D179 HydrophobicContact CB-CB 3.87Å; F6-D179 WeakPolarHBondContact CB-OD2 3.48Å; F6-D179 HydrophobicContact CG-CB 4.38Å; D179-L181 PolarHBondContact O-N 3.47Å; D179-L181 VanDerWaalsContact OD1-C 3.32Å; D179-L181 WeakPolarHBondContact OD1-CA 3.36Å; D179-L181 WeakPolarHBondContact OD1-CB 3.33Å; D179-L181 PolarHBondContact OD1-N 2.85Å; D179-G182 PolarHBondContact O-N 3.34Å; D179-G182 PolarHBondContact OD1-N 3.42Å; D179-G182 VanDerWaalsContact OD1-N 3.1Å; D179-Y183 PolarHBondContact N-O 3.08Å; D179-Y183 PolarHBondContact OD1-N 2.96Å
180	S	29.1	Very low	30.7	Very low	126 Å²	126	67.6 Å²	67.6	88%	0.881	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-0.2	178.3	52.2	0	0	0	0	114.6
181	L	29	Very low	30.7	Very low	81 Å²	81	67.5 Å²	67.5	42%	0.424	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	0.1	-179.1	-56.9	167	0	0	0	112.3	G8 D179 Y183	G8-L181 WeakPolarHBondContact O-CD1 3.41Å; D179-L181 PolarHBondContact O-N 3.47Å; D179-L181 VanDerWaalsContact OD1-C 3.32Å; D179-L181 WeakPolarHBondContact OD1-CA 3.36Å; D179-L181 WeakPolarHBondContact OD1-CB 3.33Å; D179-L181 PolarHBondContact OD1-N 2.85Å; L181-Y183 HydrophobicContact CB-CD2 3.69Å; L181-Y183 HydrophobicContact CB-CE2 3.85Å; L181-Y183 WeakPolarHBondContact O-CD2 3.48Å; L181-Y183 WeakPolarHBondContact O-CE2 3.43Å
182	G	31.2	Very low	30.8	Very low	31 Å²	31	66.6 Å²	66.6	32%	0.32	41%	0.405	S	S	.	.	S	Bend	trans	86.8	14.7	174.6	0	0	0	0	0	115.1	D179	D179-G182 PolarHBondContact O-N 3.34Å; D179-G182 PolarHBondContact OD1-N 3.42Å; D179-G182 VanDerWaalsContact OD1-N 3.1Å
183	Y	32.8	Very low	30.7	Very low	37 Å²	37	64.6 Å²	64.6	15%	0.145	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135.1	178.9	-66.6	-93.6	0	0	0	111.4	A10 I13 D179 L181 L199	A10-Y183 HydrophobicContact CB-CD1 4.31Å; A10-Y183 HydrophobicContact CB-CD2 4.33Å; A10-Y183 HydrophobicContact CB-CE1 3.56Å; A10-Y183 HydrophobicContact CB-CE2 3.65Å; A10-Y183 WeakPolarHBondContact CB-OH 3.48Å; I13-Y183 HydrophobicContact CD1-CE1 3.73Å; I13-Y183 HydrophobicContact CG1-CE1 4.45Å; D179-Y183 PolarHBondContact N-O 3.08Å; D179-Y183 PolarHBondContact OD1-N 2.96Å; L181-Y183 HydrophobicContact CB-CD2 3.69Å; L181-Y183 HydrophobicContact CB-CE2 3.85Å; L181-Y183 WeakPolarHBondContact O-CD2 3.48Å; L181-Y183 WeakPolarHBondContact O-CE2 3.43Å; Y183-L199 HydrophobicContact CD1-CD2 3.94Å; Y183-L199 HydrophobicContact CG-CD2 4.18Å
184	R	34.6	Very low	30.8	Very low	96 Å²	96	66.2 Å²	66.2	36%	0.362	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	126.8	168.4	-75.5	-164.2	-172.1	-132.2	-4.9	110.3	D147 T178 L186 A200	D147-R184 VanDerWaalsContact CG-NH1 3.35Å; D147-R184 IonicContact OD1-NH1 3.93Å; D147-R184 IonicContact OD2-CZ 3.63Å; D147-R184 IonicContact OD2-NE 3.99Å; D147-R184 IonicContact OD2-NH1 2.67Å; D147-R184 PolarHBondContact OD2-NH1 3.37Å; T178-R184 HydrophobicContact CG2-CG 4.09Å; R184-L186 HydrophobicContact CB-CD2 4.49Å; R184-L186 PolarHBondContact O-N 2.92Å; R184-A200 PolarHBondContact N-O 3.18Å; R184-A200 PolarHBondContact O-N 3.27Å; R184-A200 VanDerWaalsContact O-N 3.13Å
185	N	36.2	Very low	31.1	Very low	43 Å²	43	63.6 Å²	63.6	23%	0.23	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	112.5	171.1	-172.5	-16.3	0	0	0	108.8	F6 G187	F6-N185 HydrophobicContact CE2-CB 4.16Å; F6-N185 HydrophobicContact CZ-CB 4.37Å; N185-G187 PolarHBondContact O-N 3.5Å; N185-G187 PolarHBondContact OD1-N 3.16Å; N185-G187 VanDerWaalsContact OD1-N 3.1Å
186	L	38	Very low	31.4	Very low	10 Å²	10	60.1 Å²	60.1	5%	0.052	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	11.7	-177	-59.3	176	0	0	0	113.4	F40 A140 I144 R184 I198 A200	F40-L186 HydrophobicContact CD1-CD1 4.49Å; F40-L186 HydrophobicContact CE1-CD1 4.32Å; A140-L186 HydrophobicContact CB-CB 4.37Å; A140-L186 HydrophobicContact CB-CD1 4.41Å; I144-L186 HydrophobicContact CD1-CD1 3.27Å; I144-L186 HydrophobicContact CD1-CD2 4.11Å; I144-L186 HydrophobicContact CD1-CG 4.32Å; I144-L186 HydrophobicContact CG1-CD1 3.56Å; I144-L186 HydrophobicContact CG1-CD2 3.38Å; I144-L186 HydrophobicContact CG1-CG 4.1Å; R184-L186 HydrophobicContact CB-CD2 4.49Å; R184-L186 PolarHBondContact O-N 2.92Å; L186-I198 HydrophobicContact CB-CB 4.19Å; L186-I198 HydrophobicContact CB-CG2 4.39Å; L186-I198 WeakPolarHBondContact CB-O 3.49Å; L186-I198 HydrophobicContact CD1-CB 4.5Å; L186-I198 HydrophobicContact CD1-CG2 3.82Å; L186-I198 PolarHBondContact N-O 3.07Å; L186-A200 HydrophobicContact CD1-CB 3.66Å; L186-A200 HydrophobicContact CG-CB 4.2Å
187	G	34.4	Very low	32.1	Very low	11 Å²	11	57 Å²	57	11%	0.113	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	100.9	170.7	177.8	0	0	0	0	0	113.6	N185	N185-G187 PolarHBondContact O-N 3.5Å; N185-G187 PolarHBondContact OD1-N 3.16Å; N185-G187 VanDerWaalsContact OD1-N 3.1Å
188	M	31.9	Very low	32.7	Very low	77 Å²	77	54.1 Å²	54.1	38%	0.379	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	127.1	176.1	-80	167.2	53.8	0	0	109.4	V196 Y197	M188-V196 WeakPolarHBondContact CA-O 3.32Å; M188-Y197 HydrophobicContact CB-CE1 4.42Å; M188-Y197 HydrophobicContact CE-CE1 4.18Å; M188-Y197 HydrophobicContact CE-CE2 4.37Å; M188-Y197 WeakPolarHBondContact CE-OH 3.27Å; M188-Y197 HydrophobicContact CG-CD1 3.3Å; M188-Y197 HydrophobicContact CG-CD2 4.26Å; M188-Y197 HydrophobicContact CG-CE1 2.97Å; M188-Y197 HydrophobicContact CG-CE2 3.97Å; M188-Y197 HydrophobicContact CG-CG 3.95Å; M188-Y197 HydrophobicContact SD-CD1 4.1Å; M188-Y197 HydrophobicContact SD-CE1 3.15Å; M188-Y197 WeakPolarHBondContact SD-CE1 3.01Å; M188-Y197 HydrophobicContact SD-CE2 4.33Å; M188-Y197 PolarHBondContact SD-OH 3.36Å
189	Y	33.9	Very low	33.3	Very low	57 Å²	57	51.5 Å²	51.5	22%	0.224	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.4	171.9	-62.2	-82	0	0	0	109.1	A136 K139 A140 L191 S195 V196 I198	A136-Y189 HydrophobicContact CB-CD1 4.47Å; A136-Y189 HydrophobicContact CB-CD2 4.12Å; A136-Y189 HydrophobicContact CB-CG 3.91Å; K139-Y189 HydrophobicContact CB-CE1 3.84Å; K139-Y189 WeakPolarHBondContact CB-OH 3.46Å; K139-Y189 HydrophobicContact CD-CE1 4Å; A140-Y189 HydrophobicContact CB-CE2 4.39Å; Y189-L191 PolarHBondContact O-N 3.09Å; Y189-S195 WeakPolarHBondContact O-CA 3.49Å; Y189-V196 PolarHBondContact N-O 3.5Å; Y189-V196 PolarHBondContact O-N 3.36Å; Y189-I198 HydrophobicContact CD2-CD1 4.24Å; Y189-I198 HydrophobicContact CE2-CD1 4.25Å
190	S	30	Very low	33.9	Very low	98 Å²	98	50.8 Å²	50.8	69%	0.685	29%	0.289	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79	113.6	172.1	-166	0	0	0	0	108.9
191	L	28.5	Very low	34.4	Very low	27 Å²	27	45.1 Å²	45.1	14%	0.141	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	152.5	162.6	-61.3	171	0	0	0	108.2	Q132 Y189 S193 K194 V196	Q132-L191 HydrophobicContact CB-CD2 3.29Å; Q132-L191 HydrophobicContact CG-CD2 4.31Å; Y189-L191 PolarHBondContact O-N 3.09Å; L191-S193 PolarHBondContact O-N 3.27Å; L191-K194 CarbonylContact C-O 3.42Å; L191-K194 VanDerWaalsContact CA-O 3.27Å; L191-K194 WeakPolarHBondContact CA-O 3.09Å; L191-K194 HydrophobicContact CB-CB 4.34Å; L191-K194 VanDerWaalsContact CB-O 3.26Å; L191-K194 WeakPolarHBondContact CB-O 3.43Å; L191-K194 PolarHBondContact N-O 3.07Å; L191-K194 PolarHBondContact O-N 2.73Å; L191-V196 HydrophobicContact CD1-CG2 3.44Å; L191-V196 VanDerWaalsContact CD1-CG2 3.44Å; L191-V196 HydrophobicContact CG-CG2 4.14Å
192	V	26.4	Very low	35	Very low	122 Å²	122	44.7 Å²	44.7	74%	0.739	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	112.9	175.5	-162.8	0	0	0	0	107.4
193	S	27.3	Very low	35.3	Very low	64 Å²	64	44.1 Å²	44.1	45%	0.448	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	0.3	-171.8	71.5	0	0	0	0	119.4	E47 L191	E47-S193 VanDerWaalsContact OE1-CB 3.27Å; E47-S193 WeakPolarHBondContact OE1-CB 3.26Å; L191-S193 PolarHBondContact O-N 3.27Å
194	K	29.8	Very low	35.4	Very low	112 Å²	112	45.1 Å²	45.1	49%	0.487	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	144.1	180	-57.6	-170.6	179.3	177.7	0	112.6	K45 L191	K45-K194 CarbonylContact O-C 3.59Å; K45-K194 WeakPolarHBondContact O-CA 3.11Å; K45-K194 WeakPolarHBondContact O-CB 3.48Å; L191-K194 CarbonylContact C-O 3.42Å; L191-K194 VanDerWaalsContact CA-O 3.27Å; L191-K194 WeakPolarHBondContact CA-O 3.09Å; L191-K194 HydrophobicContact CB-CB 4.34Å; L191-K194 VanDerWaalsContact CB-O 3.26Å; L191-K194 WeakPolarHBondContact CB-O 3.43Å; L191-K194 PolarHBondContact N-O 3.07Å; L191-K194 PolarHBondContact O-N 2.73Å
195	S	33.3	Very low	35.5	Very low	25 Å²	25	44.7 Å²	44.7	18%	0.175	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	132	171.9	-46.2	0	0	0	0	110.6	F44 K45 Y189	F44-S195 CarbonylContact C-O 3.5Å; K45-S195 PolarHBondContact N-O 3.29Å; K45-S195 PolarHBondContact O-N 2.74Å; Y189-S195 WeakPolarHBondContact O-CA 3.49Å
196	V	36.4	Very low	35.2	Very low	3 Å²	3	47.5 Å²	47.5	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.4	173.6	-173.3	0	0	0	0	108.8	F44 M188 Y189 L191 I198	F44-V196 HydrophobicContact CD1-CG1 4.37Å; F44-V196 HydrophobicContact CD1-CG2 3.72Å; F44-V196 HydrophobicContact CE1-CG1 4.08Å; F44-V196 HydrophobicContact CE1-CG2 3.76Å; M188-V196 WeakPolarHBondContact CA-O 3.32Å; Y189-V196 PolarHBondContact N-O 3.5Å; Y189-V196 PolarHBondContact O-N 3.36Å; L191-V196 HydrophobicContact CD1-CG2 3.44Å; L191-V196 VanDerWaalsContact CD1-CG2 3.44Å; L191-V196 HydrophobicContact CG-CG2 4.14Å; V196-I198 HydrophobicContact CG1-CD1 4.44Å; V196-I198 HydrophobicContact CG1-CG1 4.07Å
197	Y	40.7	Very low	35	Very low	23 Å²	23	50.6 Å²	50.6	9%	0.09	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.3	171.2	-69.9	-106.3	0	0	0	108.9	F42 F43 W54 M188	F42-Y197 CarbonylContact C-O 3.51Å; F42-Y197 WeakPolarHBondContact CA-O 3.28Å; F43-Y197 PolarHBondContact N-O 2.91Å; F43-Y197 PolarHBondContact O-N 2.7Å; W54-Y197 AromaticContact CE2-CE2 3.84Å; W54-Y197 AromaticContact CE2-CZ 3.86Å; W54-Y197 AromaticContact CH2-CD1 3.72Å; W54-Y197 HydrophobicContact CH2-CD1 3.72Å; W54-Y197 AromaticContact CH2-CE1 3.17Å; W54-Y197 HydrophobicContact CH2-CE1 3.17Å; W54-Y197 HydrophobicContact CH2-CE2 4.25Å; W54-Y197 HydrophobicContact CH2-CG 4.4Å; W54-Y197 AromaticContact CH2-CZ 3.5Å; W54-Y197 AromaticContact CZ2-CD1 3.43Å; W54-Y197 HydrophobicContact CZ2-CD1 3.43Å; W54-Y197 VanDerWaalsContact CZ2-CD1 3.43Å; W54-Y197 AromaticContact CZ2-CD2 3.68Å; W54-Y197 HydrophobicContact CZ2-CD2 3.68Å; W54-Y197 AromaticContact CZ2-CE1 3.17Å; W54-Y197 HydrophobicContact CZ2-CE1 3.17Å; W54-Y197 AromaticContact CZ2-CE2 3.49Å; W54-Y197 HydrophobicContact CZ2-CE2 3.49Å; W54-Y197 VanDerWaalsContact CZ2-CE2 3.49Å; W54-Y197 AromaticContact CZ2-CG 3.66Å; W54-Y197 HydrophobicContact CZ2-CG 3.66Å; W54-Y197 AromaticContact CZ2-CZ 3.22Å; W54-Y197 HydrophobicContact CZ3-CE1 4.25Å; M188-Y197 HydrophobicContact CB-CE1 4.42Å; M188-Y197 HydrophobicContact CE-CE1 4.18Å; M188-Y197 HydrophobicContact CE-CE2 4.37Å; M188-Y197 WeakPolarHBondContact CE-OH 3.27Å; M188-Y197 HydrophobicContact CG-CD1 3.3Å; M188-Y197 HydrophobicContact CG-CD2 4.26Å; M188-Y197 HydrophobicContact CG-CE1 2.97Å; M188-Y197 HydrophobicContact CG-CE2 3.97Å; M188-Y197 HydrophobicContact CG-CG 3.95Å; M188-Y197 HydrophobicContact SD-CD1 4.1Å; M188-Y197 HydrophobicContact SD-CE1 3.15Å; M188-Y197 WeakPolarHBondContact SD-CE1 3.01Å; M188-Y197 HydrophobicContact SD-CE2 4.33Å; M188-Y197 PolarHBondContact SD-OH 3.36Å
198	I	42.7	Very low	34.9	Very low	1 Å²	1	51.1 Å²	51.1	1%	0.005	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	116.6	-178.8	-51.6	177.1	0	0	0	107.6	F40 F42 A140 L186 Y189 V196	F40-I198 HydrophobicContact CD1-CG2 4.41Å; F42-I198 HydrophobicContact CD1-CB 4.46Å; F42-I198 HydrophobicContact CD1-CD1 4.12Å; F42-I198 HydrophobicContact CD1-CG1 3.79Å; F42-I198 HydrophobicContact CD1-CG2 4.08Å; F42-I198 HydrophobicContact CE1-CB 4.5Å; F42-I198 HydrophobicContact CE1-CD1 3.94Å; F42-I198 HydrophobicContact CE1-CG1 3.99Å; F42-I198 HydrophobicContact CE1-CG2 3.74Å; F42-I198 HydrophobicContact CZ-CG2 4.41Å; A140-I198 HydrophobicContact CB-CB 4.39Å; A140-I198 HydrophobicContact CB-CD1 3.42Å; A140-I198 VanDerWaalsContact CB-CD1 3.42Å; A140-I198 HydrophobicContact CB-CG1 4.46Å; A140-I198 HydrophobicContact CB-CG2 4.21Å; L186-I198 HydrophobicContact CB-CB 4.19Å; L186-I198 HydrophobicContact CB-CG2 4.39Å; L186-I198 WeakPolarHBondContact CB-O 3.49Å; L186-I198 HydrophobicContact CD1-CB 4.5Å; L186-I198 HydrophobicContact CD1-CG2 3.82Å; L186-I198 PolarHBondContact N-O 3.07Å; Y189-I198 HydrophobicContact CD2-CD1 4.24Å; Y189-I198 HydrophobicContact CE2-CD1 4.25Å; V196-I198 HydrophobicContact CG1-CD1 4.44Å; V196-I198 HydrophobicContact CG1-CG1 4.07Å
199	L	42.8	Very low	34.8	Very low	14 Å²	14	59.9 Å²	59.9	7%	0.073	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	125.3	175.6	-95.3	140.9	0	0	0	108.2	F6 F40 S41 F43 L60 Y183	F6-L199 HydrophobicContact CE1-CD1 4.16Å; F6-L199 HydrophobicContact CE1-CD2 3.88Å; F6-L199 HydrophobicContact CZ-CD1 4.39Å; F6-L199 HydrophobicContact CZ-CD2 3.95Å; F6-L199 HydrophobicContact CZ-CG 4.49Å; F40-L199 CarbonylContact C-O 3.44Å; F40-L199 WeakPolarHBondContact CA-O 3.23Å; S41-L199 PolarHBondContact N-O 2.82Å; S41-L199 PolarHBondContact O-N 3.3Å; F43-L199 HydrophobicContact CD2-CD1 3.71Å; F43-L199 HydrophobicContact CE2-CB 4.04Å; F43-L199 HydrophobicContact CE2-CD1 3.35Å; F43-L199 HydrophobicContact CE2-CG 4.29Å; F43-L199 HydrophobicContact CZ-CD1 4.31Å; L60-L199 HydrophobicContact CD1-CD1 3.94Å; Y183-L199 HydrophobicContact CD1-CD2 3.94Å; Y183-L199 HydrophobicContact CG-CD2 4.18Å
200	A	43.2	Very low	34.9	Very low	8 Å²	8	60 Å²	60	7%	0.066	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	132.5	168.1	0	0	0	0	0	109.3	I38 C39 F40 I144 R184 L186	I38-A200 HydrophobicContact CG2-CB 4.24Å; C39-A200 WeakPolarHBondContact O-CA 3.21Å; F40-A200 HydrophobicContact CD1-CB 4.39Å; F40-A200 HydrophobicContact CE1-CB 4.45Å; I144-A200 HydrophobicContact CD1-CB 4.35Å; R184-A200 PolarHBondContact N-O 3.18Å; R184-A200 PolarHBondContact O-N 3.27Å; R184-A200 VanDerWaalsContact O-N 3.13Å; L186-A200 HydrophobicContact CD1-CB 3.66Å; L186-A200 HydrophobicContact CG-CB 4.2Å
201	S	40.3	Very low	35.1	Very low	7 Å²	7	58 Å²	58	5%	0.049	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	139.6	170.4	115.8	0	0	0	0	108.9	I13 I38 C39	I13-S201 VanDerWaalsContact CD1-CB 3.46Å; I13-S201 WeakPolarHBondContact CD1-OG 3.4Å; I38-S201 CarbonylContact C-O 3.59Å; I38-S201 VanDerWaalsContact CA-O 3.32Å; I38-S201 WeakPolarHBondContact CA-O 3.3Å; C39-S201 PolarHBondContact N-O 3.3Å; C39-S201 PolarHBondContact O-N 3.31Å
202	T	41.1	Very low	35.5	Very low	73 Å²	73	59.7 Å²	59.7	45%	0.448	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	121.1	168.8	56.1	0	0	0	0	109.2	K37 I38	K37-T202 CarbonylContact O-C 3.56Å; K37-T202 WeakPolarHBondContact O-CA 3.12Å; I38-T202 HydrophobicContact CB-CG2 4.45Å; I38-T202 HydrophobicContact CD1-CG2 4.32Å; I38-T202 HydrophobicContact CG1-CG2 3.82Å; I38-T202 HydrophobicContact CG2-CG2 4.37Å
203	C	37.2	Very low	36	Very low	18 Å²	18	56.1 Å²	56.1	12%	0.122	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.6	172.7	55.9	0	0	0	0	109.2	E36 K37 C208	E36-C203 CarbonylContact C-O 3.58Å; K37-C203 PolarHBondContact N-O 2.77Å; K37-C203 PolarHBondContact O-N 3.29Å; C203-C208 VanDerWaalsContact C-SG 3.5Å; C203-C208 HydrophobicContact CB-CB 4.21Å; C203-C208 WeakPolarHBondContact CB-SG 2.96Å; C203-C208 PolarHBondContact O-SG 3.21Å; C203-C208 VanDerWaalsContact O-SG 3.38Å; C203-C208 WeakPolarHBondContact SG-CB 3.37Å; C203-C208 CovalentContact SG-SG 2.02Å; C203-C208 PolarHBondContact SG-SG 2.84Å
204	T	35.4	Very low	36.6	Very low	59 Å²	59	55.6 Å²	55.6	36%	0.362	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	144.1	170.6	48.9	0	0	0	0	108.2	E36 A206 S207 C208	E36-T204 HydrophobicContact CG-CG2 4.17Å; T204-A206 PolarHBondContact O-N 2.95Å; T204-S207 PolarHBondContact N-OG 2.92Å; T204-S207 PolarHBondContact O-N 3.15Å; T204-S207 PolarHBondContact O-OG 3.35Å; T204-S207 PolarHBondContact OG1-OG 3.19Å; T204-C208 PolarHBondContact O-SG 3.05Å
205	M	35.8	Very low	37	Very low	87 Å²	87	51.8 Å²	51.8	43%	0.429	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-48.4	-29.1	-175.1	-78.9	-150.9	-54.3	0	0	114.8	Y21 L35 S207	Y21-M205 HydrophobicContact CE1-CG 4.12Å; Y21-M205 HydrophobicContact CE1-SD 4.06Å; L35-M205 HydrophobicContact CB-CE 4.26Å; L35-M205 HydrophobicContact CB-CG 4.05Å; L35-M205 HydrophobicContact CB-SD 4.25Å; L35-M205 HydrophobicContact CD1-CE 4Å; L35-M205 HydrophobicContact CD1-SD 4.32Å; L35-M205 WeakPolarHBondContact O-CG 3.4Å; L35-M205 PolarHBondContact O-N 3.31Å; M205-S207 VanDerWaalsContact C-N 3.25Å; M205-S207 PolarHBondContact O-N 3.49Å
206	A	30.9	Very low	37.3	Very low	101 Å²	101	53.7 Å²	53.7	84%	0.835	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-69.8	-14.9	176.6	0	0	0	0	0	115	T204	T204-A206 PolarHBondContact O-N 2.95Å
207	S	33.9	Very low	37.4	Very low	75 Å²	75	57.6 Å²	57.6	52%	0.524	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-118.1	-0	-174	54.3	0	0	0	0	114.1	T204 M205	T204-S207 PolarHBondContact N-OG 2.92Å; T204-S207 PolarHBondContact O-N 3.15Å; T204-S207 PolarHBondContact O-OG 3.35Å; T204-S207 PolarHBondContact OG1-OG 3.19Å; M205-S207 VanDerWaalsContact C-N 3.25Å; M205-S207 PolarHBondContact O-N 3.49Å
208	C	31.3	Very low	37.1	Very low	23 Å²	23	60.5 Å²	60.5	16%	0.155	34%	0.341	C	S	.	.			trans	-97	1.8	178.8	-45.9	0	0	0	0	114.2	K37 C203 T204	K37-C208 HydrophobicContact CD-CB 4.12Å; C203-C208 VanDerWaalsContact C-SG 3.5Å; C203-C208 HydrophobicContact CB-CB 4.21Å; C203-C208 WeakPolarHBondContact CB-SG 2.96Å; C203-C208 PolarHBondContact O-SG 3.21Å; C203-C208 VanDerWaalsContact O-SG 3.38Å; C203-C208 WeakPolarHBondContact SG-CB 3.37Å; C203-C208 CovalentContact SG-SG 2.02Å; C203-C208 PolarHBondContact SG-SG 2.84Å; T204-C208 PolarHBondContact O-SG 3.05Å
209	Y	30.7	Very low	36.6	Very low	260 Å²	260	65.9 Å²	65.9	100%	1.02	37%	0.371	S	S	*	.			trans	-110.7	0	179.3	-81.6	-80.7	0	0	0	111.2

Retrieved 209 of 209 residues in 46.8 ms (Link to these results)

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