A0A096NJF1_PAPAN Loading...

Legumain

Has a strict specificity for hydrolysis of asparaginyl bonds. Can also cleave aspartyl bonds slowly, especially under acidic conditions. Involved in the processing of proteins for MHC class II antigen presentation in the lysosomal/endosomal system. Also involved in MHC class I antigen presentation in cross-presenting dendritic cells by mediating cleavage and maturation of Perforin-2 (MPEG1), thereby promoting antigen translocation in the cytosol. Required for normal lysosomal protein degradation in renal proximal tubules. Required for normal degradation of internalized EGFR. Plays a role in the regulation of cell proliferation via its role in EGFR degradation.

AlphaFold DB , UniProt , Accession A0A096NJF1, Species PAPAN (Papio anubis, Olive baboon), Gene LGMN, Length 433 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.5	Very low	36.6	Very low	236 Å²	236	157.3 Å²	157.3	100%	1.163	83%	0.832	S	S	*	*				0	87.8	0	-166.6	177.2	91.2	0	0	108.2
2	V	34.4	Very low	36.8	Very low	148 Å²	148	154.7 Å²	154.7	90%	0.897	83%	0.828	S	S	*	*			trans	-146.4	123.7	166.5	-176.8	0	0	0	0	107
3	W	35.7	Very low	37	Very low	241 Å²	241	154.5 Å²	154.5	91%	0.913	83%	0.825	S	S	*	*			trans	-76.3	146.9	-172.8	-104.2	26.3	0	0	0	113
4	K	39.1	Very low	37	Very low	200 Å²	200	149 Å²	149	87%	0.87	82%	0.824	S	S	*	*			trans	-76.9	137.2	164.4	-68.7	176.5	172.3	-179.3	0	109.7
5	V	37.5	Very low	37.3	Very low	125 Å²	125	149.3 Å²	149.3	76%	0.758	82%	0.821	S	S	*	*			trans	-144.6	112.4	145.8	-176.9	0	0	0	0	107.8	V7	V5-V7 HydrophobicContact CG1-CG2 4.13Å
6	A	37.4	Very low	37.2	Very low	86 Å²	86	143.6 Å²	143.6	71%	0.711	81%	0.807	S	S	*	*			trans	-102.7	118.9	164.3	0	0	0	0	0	106.9
7	V	35.9	Very low	37.4	Very low	119 Å²	119	141 Å²	141	72%	0.721	81%	0.808	S	S	*	*			trans	-86.2	114.8	175.9	175.8	0	0	0	0	107.7	V5 L9	V5-V7 HydrophobicContact CG1-CG2 4.13Å; V7-L9 HydrophobicContact CG1-CD1 4.48Å
8	F	33.7	Very low	37.3	Very low	196 Å²	196	139.5 Å²	139.5	86%	0.86	80%	0.801	S	S	*	*			trans	-89.4	113.3	166	-93.1	-86	0	0	0	108.6	S10	F8-S10 PolarHBondContact O-N 3.12Å
9	L	33.9	Very low	37.5	Very low	154 Å²	154	137.7 Å²	137.7	81%	0.806	80%	0.795	S	S	*	*			trans	-78.3	107.5	165.3	-100.5	114.6	0	0	0	108.7	V7	V7-L9 HydrophobicContact CG1-CD1 4.48Å
10	S	35.5	Very low	37.6	Very low	103 Å²	103	138.1 Å²	138.1	72%	0.72	79%	0.793	S	S	*	*			trans	-82.4	108.4	164.5	52.7	0	0	0	0	109.1	F8 T12	F8-S10 PolarHBondContact O-N 3.12Å; S10-T12 PolarHBondContact O-N 3Å
11	V	37.4	Very low	38.2	Very low	122 Å²	122	137.2 Å²	137.2	74%	0.739	79%	0.786	S	S	*	*			trans	-75.3	100.2	167.3	176.4	0	0	0	0	107.6	L13	V11-L13 HydrophobicContact CG1-CG 4.47Å; V11-L13 PolarHBondContact O-N 3.26Å
12	T	38.1	Very low	38.7	Very low	126 Å²	126	128.5 Å²	128.5	77%	0.773	74%	0.744	S	S	*	*			trans	-79.3	98.3	166.1	46.5	0	0	0	0	108.4	S10 G14	S10-T12 PolarHBondContact O-N 3Å; T12-G14 PolarHBondContact O-N 3.06Å; T12-G14 VanDerWaalsContact O-N 3.08Å
13	L	39.4	Very low	39.5	Very low	152 Å²	152	127.2 Å²	127.2	80%	0.796	74%	0.739	S	S	*	*			trans	-64.8	103	163.2	-87.1	155.4	0	0	0	108	V11 I15	V11-L13 HydrophobicContact CG1-CG 4.47Å; V11-L13 PolarHBondContact O-N 3.26Å; L13-I15 VanDerWaalsContact C-N 3.31Å; L13-I15 PolarHBondContact O-N 3.12Å
14	G	38	Very low	40.8	Very low	78 Å²	78	121.6 Å²	121.6	80%	0.804	72%	0.722	S	S	*	*			trans	-66.3	93	164.4	0	0	0	0	0	108.8	T12 G16	T12-G14 PolarHBondContact O-N 3.06Å; T12-G14 VanDerWaalsContact O-N 3.08Å; G14-G16 VanDerWaalsContact C-N 3.26Å; G14-G16 PolarHBondContact O-N 3.45Å
15	I	40.6	Very low	42.6	Very low	154 Å²	154	113.3 Å²	113.3	79%	0.79	69%	0.687	S	S	*	*			trans	-72.3	93.8	162.7	-58	175.3	0	0	0	105.1	L13 A17	L13-I15 VanDerWaalsContact C-N 3.31Å; L13-I15 PolarHBondContact O-N 3.12Å; I15-A17 PolarHBondContact O-N 3.47Å; I15-A17 VanDerWaalsContact O-N 3.17Å
16	G	35.7	Very low	44.6	Very low	58 Å²	58	110.1 Å²	110.1	60%	0.598	68%	0.68	S	S	*	*			trans	-55.4	119.5	160.4	0	0	0	0	0	107	G14 V18	G14-G16 VanDerWaalsContact C-N 3.26Å; G14-G16 PolarHBondContact O-N 3.45Å; G16-V18 VanDerWaalsContact C-N 3.28Å; G16-V18 PolarHBondContact O-N 2.78Å
17	A	40.5	Very low	47.3	Very low	99 Å²	99	106.7 Å²	106.7	82%	0.818	65%	0.653	S	S	*	*			trans	-60.9	96.9	170.8	0	0	0	0	0	107.5	I15	I15-A17 PolarHBondContact O-N 3.47Å; I15-A17 VanDerWaalsContact O-N 3.17Å
18	V	36.8	Very low	50.2	Low	114 Å²	114	106.4 Å²	106.4	69%	0.691	64%	0.642	S	S	*	*			trans	-59	130.3	162.6	-176.9	0	0	0	0	105.4	G16 I20	G16-V18 VanDerWaalsContact C-N 3.28Å; G16-V18 PolarHBondContact O-N 2.78Å; V18-I20 PolarHBondContact O-N 3.31Å
19	P	40.6	Very low	53.3	Low	105 Å²	105	97.5 Å²	97.5	68%	0.682	60%	0.603	S	S	*	*			trans	-60.2	110.4	170.1	8.1	-0.7	0	0	0	106.1	D21	P19-D21 PolarHBondContact O-N 3.42Å
20	I	39.9	Very low	56.4	Low	146 Å²	146	90.7 Å²	90.7	75%	0.749	57%	0.567	S	S	*	*			trans	-74.2	88.3	169.3	-56.8	174.5	0	0	0	104.1	V18 D22	V18-I20 PolarHBondContact O-N 3.31Å; I20-D22 PolarHBondContact O-N 2.86Å
21	D	49.5	Very low	59.4	Low	120 Å²	120	85.8 Å²	85.8	64%	0.642	53%	0.533	S	S	*	.			trans	-50	130.5	151.6	-81.6	-24.2	0	0	0	106.2	P19 P23	P19-D21 PolarHBondContact O-N 3.42Å; D21-P23 WeakPolarHBondContact O-CD 3.49Å
22	D	52	Low	62.3	Low	52 Å²	52	80 Å²	80	28%	0.278	50%	0.498	S	S	.	.			trans	-57	108.4	173.6	-175.4	-0.3	0	0	0	106.9	I20 E24 D25 R180	I20-D22 PolarHBondContact O-N 2.86Å; D22-E24 PolarHBondContact O-N 2.91Å; D22-E24 WeakPolarHBondContact OD1-CB 3.43Å; D22-E24 PolarHBondContact OD1-N 2.97Å; D22-D25 HydrophobicContact CB-CB 4.44Å; D22-D25 PolarHBondContact O-N 3.12Å; D22-D25 VanDerWaalsContact O-N 3.12Å; D22-R180 IonicContact OD1-NH2 3.8Å; D22-R180 IonicContact OD2-CZ 3.33Å; D22-R180 IonicContact OD2-NH2 2.93Å; D22-R180 PolarHBondContact OD2-NH2 2.74Å; D22-R180 VanDerWaalsContact OD2-NH2 3.16Å
23	P	51.9	Low	65.2	Low	122 Å²	122	74 Å²	74	79%	0.792	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	-9.7	-176.5	-18.1	32.3	0	0	0	112	D21	D21-P23 WeakPolarHBondContact O-CD 3.49Å
24	E	63.4	Low	68.1	Low	122 Å²	122	66.8 Å²	66.8	57%	0.57	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.7	6.3	-176.4	-51.8	-165	164.6	0	0	114.6	D22 G26 R180	D22-E24 PolarHBondContact O-N 2.91Å; D22-E24 WeakPolarHBondContact OD1-CB 3.43Å; D22-E24 PolarHBondContact OD1-N 2.97Å; E24-G26 PolarHBondContact O-N 3.05Å; E24-R180 VanDerWaalsContact CB-CZ 3.49Å; E24-R180 PolarHBondContact O-NH1 3.36Å; E24-R180 IonicContact OE2-CZ 3.56Å; E24-R180 VanDerWaalsContact OE2-CZ 3.26Å; E24-R180 IonicContact OE2-NH1 2.76Å; E24-R180 PolarHBondContact OE2-NH1 3.3Å; E24-R180 IonicContact OE2-NH2 3.72Å; E24-R180 PolarHBondContact OE2-NH2 2.94Å
25	D	76.7	Confident	71	Confident	26 Å²	26	63 Å²	63	14%	0.139	39%	0.385	C	S	.	.			trans	-74.6	76	168.6	-167.5	10.1	0	0	0	109.7	D22 H29 H140 Q282 K287	D22-D25 HydrophobicContact CB-CB 4.44Å; D22-D25 PolarHBondContact O-N 3.12Å; D22-D25 VanDerWaalsContact O-N 3.12Å; D25-H29 IonicContact OD1-NE2 3.96Å; D25-H29 PolarHBondContact OD1-NE2 2.96Å; D25-H29 IonicContact OD2-CE1 2.74Å; D25-H29 IonicContact OD2-NE2 2.7Å; D25-H29 PolarHBondContact OD2-NE2 2.96Å; D25-H140 VanDerWaalsContact CG-CE1 3.42Å; D25-H140 IonicContact OD1-CE1 2.74Å; D25-H140 PolarHBondContact OD1-CE1 3.46Å; D25-H140 IonicContact OD1-ND1 3.51Å; D25-H140 IonicContact OD1-NE2 3.22Å; D25-H140 IonicContact OD2-CE1 2.89Å; D25-Q282 WeakPolarHBondContact OD2-CG 3.38Å; D25-Q282 PolarHBondContact OD2-NE2 2.81Å; D25-K287 VanDerWaalsContact CG-NZ 3.32Å; D25-K287 WeakPolarHBondContact O-CD 3.43Å; D25-K287 WeakPolarHBondContact O-CE 3.31Å; D25-K287 PolarHBondContact O-NZ 3.28Å; D25-K287 WeakPolarHBondContact OD1-CE 3.33Å; D25-K287 IonicContact OD1-NZ 3.81Å; D25-K287 PolarHBondContact OD1-NZ 3Å
26	G	80.3	Confident	73.7	Confident	58 Å²	58	55.7 Å²	55.7	60%	0.598	35%	0.347	S	S	*	.			trans	-104.6	-15.4	-175.1	0	0	0	0	0	116.7	E24	E24-G26 PolarHBondContact O-N 3.05Å
27	G	92.8	Very high	76.7	Confident	15 Å²	15	53.2 Å²	53.2	16%	0.155	32%	0.32	C	S	.	.	S	Bend	trans	-85.5	-160.3	-177.5	0	0	0	0	0	116.4	Q138 D139 K287	G27-Q138 WeakPolarHBondContact CA-O 3.45Å; G27-Q138 PolarHBondContact N-O 3.19Å; G27-D139 WeakPolarHBondContact CA-OD1 3.46Å; G27-K287 WeakPolarHBondContact O-CE 3.37Å; G27-K287 PolarHBondContact O-NZ 3.47Å
28	K	97.4	Very high	79.5	Confident	113 Å²	113	50.2 Å²	50.2	49%	0.491	29%	0.29	S	S	.	.			trans	-95.6	159.4	174.4	-67.2	173.4	172.1	-167	0	111.2	D139 H140	K28-D139 PolarHBondContact N-OD1 2.86Å; K28-D139 CarbonylContact O-C 3.52Å; K28-D139 WeakPolarHBondContact O-CA 3.38Å; K28-D139 VanDerWaalsContact O-CB 3.25Å; K28-D139 WeakPolarHBondContact O-CB 3.48Å; K28-H140 PolarHBondContact O-N 3.5Å
29	H	98.5	Very high	82.4	Confident	8 Å²	8	46 Å²	46	4%	0.037	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	120.9	171.3	-56.9	163.9	0	0	0	109	D25 I61 Q65 H140 Q282 G285 K287	D25-H29 IonicContact OD1-NE2 3.96Å; D25-H29 PolarHBondContact OD1-NE2 2.96Å; D25-H29 IonicContact OD2-CE1 2.74Å; D25-H29 IonicContact OD2-NE2 2.7Å; D25-H29 PolarHBondContact OD2-NE2 2.96Å; H29-I61 HydrophobicContact CB-CD1 3.72Å; H29-I61 HydrophobicContact CB-CG1 4.38Å; H29-I61 WeakPolarHBondContact O-CG2 3.48Å; H29-Q65 PolarHBondContact O-NE2 3.07Å; H29-H140 WeakPolarHBondContact CA-O 3.25Å; H29-H140 AromaticContact CD2-CG 3.95Å; H29-H140 AromaticContact CD2-ND1 3.67Å; H29-H140 AromaticContact NE2-ND1 3.47Å; H29-H140 PolarHBondContact NE2-ND1 2.88Å; H29-Q282 PolarHBondContact CD2-O 3.23Å; H29-Q282 PolarHBondContact CE1-O 3.36Å; H29-Q282 PolarHBondContact ND1-O 3.21Å; H29-Q282 PolarHBondContact NE2-O 2.98Å; H29-G285 PolarHBondContact ND1-O 3.01Å; H29-K287 WeakPolarHBondContact NE2-CE 3.45Å
30	W	98.8	Very high	85.2	Confident	12 Å²	12	42.3 Å²	42.3	5%	0.045	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	147.4	-179.5	-69	81.5	0	0	0	110.3	E64 Q65 I67 L133 K134 S135 D139 H140 V141 F142	W30-E64 WeakPolarHBondContact CZ3-O 3.31Å; W30-Q65 WeakPolarHBondContact CA-O 3.29Å; W30-Q65 HydrophobicContact CD2-CB 4.23Å; W30-Q65 HydrophobicContact CD2-CG 4.08Å; W30-Q65 HydrophobicContact CE3-CB 4.12Å; W30-Q65 HydrophobicContact CE3-CG 4.21Å; W30-Q65 HydrophobicContact CH2-CG 4.22Å; W30-Q65 HydrophobicContact CZ2-CG 4.13Å; W30-Q65 HydrophobicContact CZ3-CB 4.45Å; W30-Q65 HydrophobicContact CZ3-CG 4.28Å; W30-I67 HydrophobicContact CE3-CD1 4.24Å; W30-L133 HydrophobicContact CB-CD2 3.68Å; W30-L133 HydrophobicContact CD2-CD2 4.09Å; W30-L133 HydrophobicContact CE3-CD2 3.75Å; W30-L133 HydrophobicContact CG-CD2 4.11Å; W30-K134 HydrophobicContact CH2-CB 3.61Å; W30-K134 HydrophobicContact CH2-CG 4.23Å; W30-K134 HydrophobicContact CZ2-CB 3.79Å; W30-K134 HydrophobicContact CZ3-CB 4.47Å; W30-S135 VanDerWaalsContact CD1-CB 3.44Å; W30-D139 PolarHBondContact NE1-OD2 3.29Å; W30-H140 PolarHBondContact N-O 2.81Å; W30-V141 HydrophobicContact CB-CG2 4.34Å; W30-V141 CarbonylContact O-C 3.57Å; W30-V141 WeakPolarHBondContact O-CA 3.16Å; W30-F142 PolarHBondContact O-N 3.38Å
31	V	98.9	Very high	87.9	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135.7	179.9	-170.9	0	0	0	0	110.9	I33 I56 I61 Q65 I66 I67 F142	V31-I33 HydrophobicContact CG1-CD1 4.19Å; V31-I33 HydrophobicContact CG1-CG1 3.77Å; V31-I56 HydrophobicContact CB-CG2 4.33Å; V31-I56 HydrophobicContact CG1-CD1 4.41Å; V31-I56 HydrophobicContact CG1-CG1 4.2Å; V31-I56 HydrophobicContact CG2-CD1 3.99Å; V31-I56 HydrophobicContact CG2-CG1 4.26Å; V31-I56 HydrophobicContact CG2-CG2 3.76Å; V31-I61 HydrophobicContact CG2-CD1 3.68Å; V31-I61 HydrophobicContact CG2-CG2 4.4Å; V31-Q65 PolarHBondContact N-O 3.12Å; V31-I66 HydrophobicContact CB-CG1 4.49Å; V31-I66 HydrophobicContact CB-CG2 4.35Å; V31-I66 CarbonylContact O-C 3.59Å; V31-I66 WeakPolarHBondContact O-CA 3.25Å; V31-I67 PolarHBondContact O-N 3.35Å; V31-F142 CarbonylContact C-O 3.53Å; V31-F142 VanDerWaalsContact CA-O 3.25Å; V31-F142 WeakPolarHBondContact CA-O 3.37Å; V31-F142 HydrophobicContact CG1-CB 4.48Å; V31-F142 HydrophobicContact CG1-CD1 3.82Å; V31-F142 HydrophobicContact CG2-CB 4.32Å
32	V	98.9	Very high	90.3	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	123	167.7	-174.6	0	0	0	0	108.2	V34 I67 F113 V116 L117 L133 F142 V143 Y144	V32-V34 HydrophobicContact CG1-CG2 4.12Å; V32-I67 CarbonylContact C-O 3.57Å; V32-I67 WeakPolarHBondContact CA-O 3.49Å; V32-I67 HydrophobicContact CG2-CB 4.43Å; V32-I67 HydrophobicContact CG2-CD1 4.22Å; V32-F113 HydrophobicContact CG1-CD2 4.18Å; V32-F113 HydrophobicContact CG1-CE2 3.95Å; V32-V116 HydrophobicContact CG1-CG1 4.18Å; V32-V116 HydrophobicContact CG2-CG1 4.04Å; V32-L117 HydrophobicContact CG2-CD2 4.16Å; V32-L133 HydrophobicContact CG2-CD1 4.16Å; V32-L133 HydrophobicContact CG2-CD2 3.82Å; V32-L133 HydrophobicContact CG2-CG 3.99Å; V32-F142 PolarHBondContact N-O 2.85Å; V32-V143 HydrophobicContact CB-CG1 4.33Å; V32-V143 HydrophobicContact CB-CG2 4.39Å; V32-V143 CarbonylContact O-C 3.54Å; V32-V143 WeakPolarHBondContact O-CA 3.47Å; V32-Y144 PolarHBondContact O-N 3.1Å
33	I	99	Very high	92.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	129.7	179.4	-58.4	174	0	0	0	108.2	V31 A49 A52 I66 I67 V68 M69 Y144	V31-I33 HydrophobicContact CG1-CD1 4.19Å; V31-I33 HydrophobicContact CG1-CG1 3.77Å; I33-A49 HydrophobicContact CG2-CB 3.56Å; I33-A52 HydrophobicContact CD1-CB 3.98Å; I33-A52 HydrophobicContact CG2-CB 4.47Å; I33-I66 HydrophobicContact CD1-CG2 4.44Å; I33-I67 PolarHBondContact N-O 2.73Å; I33-V68 HydrophobicContact CB-CG2 4.43Å; I33-V68 HydrophobicContact CD1-CG2 4.49Å; I33-V68 WeakPolarHBondContact O-CA 3.34Å; I33-M69 PolarHBondContact O-N 3.17Å; I33-Y144 CarbonylContact C-O 3.23Å; I33-Y144 WeakPolarHBondContact CA-O 3.3Å; I33-Y144 HydrophobicContact CG2-CD1 4.07Å
34	V	98.9	Very high	94.7	Very high	0 Å²	0	24 Å²	24	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	122.4	-178.8	-174.1	0	0	0	0	110.5	V32 M69 F113 Y144 F145 T146 F156	V32-V34 HydrophobicContact CG1-CG2 4.12Å; V34-M69 CarbonylContact C-O 3.57Å; V34-M69 WeakPolarHBondContact CA-O 3.39Å; V34-M69 HydrophobicContact CB-CB 4.47Å; V34-M69 HydrophobicContact CG1-CB 4.22Å; V34-M69 HydrophobicContact CG2-CB 4.19Å; V34-M69 HydrophobicContact CG2-CG 4.26Å; V34-M69 HydrophobicContact CG2-SD 4.09Å; V34-F113 HydrophobicContact CG2-CD2 3.6Å; V34-F113 HydrophobicContact CG2-CE2 3.69Å; V34-F113 HydrophobicContact CG2-CG 4.48Å; V34-Y144 PolarHBondContact N-O 3.12Å; V34-F145 HydrophobicContact CB-CD2 3.83Å; V34-F145 HydrophobicContact CB-CE2 4.44Å; V34-F145 HydrophobicContact CG1-CD2 3.77Å; V34-F145 HydrophobicContact CG1-CE2 3.88Å; V34-F145 WeakPolarHBondContact O-CA 3.5Å; V34-T146 PolarHBondContact O-N 2.89Å; V34-F156 HydrophobicContact CG1-CE1 3.95Å; V34-F156 HydrophobicContact CG1-CZ 3.95Å
35	A	98.9	Very high	96.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	117.2	159.9	0	0	0	0	0	108.8	S37 H45 Q46 A49 M69 M70 T146	A35-S37 PolarHBondContact O-N 3.15Å; A35-H45 HydrophobicContact CB-CB 4.44Å; A35-Q46 HydrophobicContact CB-CB 4.44Å; A35-Q46 HydrophobicContact CB-CG 3.74Å; A35-A49 HydrophobicContact CB-CB 3.91Å; A35-M69 PolarHBondContact N-O 2.83Å; A35-M70 HydrophobicContact CB-CB 4.1Å; A35-T146 WeakPolarHBondContact CA-O 3.25Å; A35-T146 HydrophobicContact CB-CG2 4.46Å
36	G	98.4	Very high	97.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.104	C	C	.	.			trans	-83.3	-2.9	-172.2	0	0	0	0	0	115.6	T146 D147 F156 P157	G36-T146 PolarHBondContact N-O 2.83Å; G36-D147 VanDerWaalsContact CA-CG 3.5Å; G36-D147 WeakPolarHBondContact CA-OD2 3.31Å; G36-F156 CarbonylContact O-C 3.5Å; G36-F156 WeakPolarHBondContact O-CA 3.36Å; G36-P157 WeakPolarHBondContact O-CD 3.22Å; G36-P157 WeakPolarHBondContact O-CG 3.36Å
37	S	98.5	Very high	98.4	Very high	6 Å²	6	14.4 Å²	14.4	4%	0.042	8%	0.076	C	C	.	.			trans	-134.5	172.5	-177.8	52.4	0	0	0	0	114.7	A35 N42 H45 Q46 D147	A35-S37 PolarHBondContact O-N 3.15Å; S37-N42 WeakPolarHBondContact OG-CB 3.28Å; S37-H45 PolarHBondContact OG-ND1 3.09Å; S37-Q46 PolarHBondContact O-NE2 2.76Å; S37-Q46 VanDerWaalsContact O-NE2 3.1Å; S37-D147 WeakPolarHBondContact CB-OD1 3.42Å; S37-D147 PolarHBondContact N-OD2 2.87Å; S37-D147 PolarHBondContact OG-OD1 2.9Å
38	N	98.6	Very high	98.7	Very high	35 Å²	35	13.7 Å²	13.7	19%	0.187	7%	0.069	C	C	.	.			trans	-133.2	179.3	179.9	64.6	11.6	0	0	0	110.5	N42 Y71 D73	N38-N42 WeakPolarHBondContact O-CB 3.22Å; N38-N42 PolarHBondContact O-ND2 3.02Å; N38-N42 VanDerWaalsContact O-ND2 3.14Å; N38-Y71 HydrophobicContact CB-CD1 3.48Å; N38-Y71 VanDerWaalsContact CB-CD1 3.48Å; N38-Y71 HydrophobicContact CB-CD2 4.04Å; N38-Y71 HydrophobicContact CB-CE1 4.03Å; N38-Y71 HydrophobicContact CB-CG 3.48Å; N38-Y71 VanDerWaalsContact CB-CG 3.48Å; N38-D73 WeakPolarHBondContact CB-OD2 3.32Å
39	G	98.3	Very high	98.7	Very high	27 Å²	27	8.3 Å²	8.3	28%	0.278	5%	0.045	S	C	.	.	S	Bend	trans	83.1	150	179.6	0	0	0	0	0	113.1	Y41 N42 Y43 D73	G39-Y41 VanDerWaalsContact C-N 3.29Å; G39-Y41 PolarHBondContact O-N 3.2Å; G39-N42 CarbonylContact O-C 3.54Å; G39-N42 WeakPolarHBondContact O-CA 3.36Å; G39-N42 PolarHBondContact O-N 3.28Å; G39-Y43 PolarHBondContact O-N 2.9Å; G39-D73 WeakPolarHBondContact CA-OD2 3.27Å; G39-D73 PolarHBondContact N-OD2 3.42Å
40	W	98.6	Very high	98.8	Very high	26 Å²	26	8 Å²	8	10%	0.098	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-62.3	-31.1	-172	-168	-111	0	0	0	114.5	N42 Y43 I74 D79 N80 R225 T227	W40-N42 PolarHBondContact O-N 3.35Å; W40-Y43 HydrophobicContact CD2-CD2 4.47Å; W40-Y43 HydrophobicContact CE3-CD2 4.01Å; W40-Y43 AromaticContact CH2-CD2 3.58Å; W40-Y43 HydrophobicContact CH2-CD2 3.58Å; W40-Y43 AromaticContact CH2-CE2 3.61Å; W40-Y43 HydrophobicContact CH2-CE2 3.61Å; W40-Y43 HydrophobicContact CZ2-CD2 4.1Å; W40-Y43 HydrophobicContact CZ2-CE2 4.35Å; W40-Y43 AromaticContact CZ3-CD2 3.55Å; W40-Y43 HydrophobicContact CZ3-CD2 3.55Å; W40-Y43 AromaticContact CZ3-CE2 3.84Å; W40-Y43 HydrophobicContact CZ3-CE2 3.84Å; W40-Y43 WeakPolarHBondContact O-CB 3.46Å; W40-Y43 PolarHBondContact O-N 3.18Å; W40-I74 HydrophobicContact CE3-CD1 4.14Å; W40-I74 HydrophobicContact CZ3-CG2 4.07Å; W40-D79 HydrophobicContact CB-CB 4.35Å; W40-D79 HydrophobicContact CD2-CB 3.56Å; W40-D79 HydrophobicContact CE3-CB 4.12Å; W40-D79 HydrophobicContact CG-CB 3.66Å; W40-D79 HydrophobicContact CZ2-CB 4.28Å; W40-D79 VanDerWaalsContact CZ2-O 3.3Å; W40-D79 WeakPolarHBondContact CZ2-O 3.26Å; W40-N80 HydrophobicContact CH2-CB 3.48Å; W40-N80 VanDerWaalsContact CH2-CB 3.48Å; W40-N80 HydrophobicContact CZ2-CB 4.44Å; W40-N80 HydrophobicContact CZ3-CB 3.72Å; W40-R225 HydrophobicContact CZ2-CB 3.86Å; W40-R225 HydrophobicContact CZ2-CG 4.14Å; W40-R225 PolarHBondContact NE1-O 2.83Å; W40-T227 HydrophobicContact CZ2-CG2 4.3Å; W40-T227 PolarHBondContact O-OG1 3.45Å
41	Y	97.9	Very high	98.8	Very high	44 Å²	44	8 Å²	8	17%	0.173	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-63.9	-24	173.4	-65.3	-21.4	0	0	0	112.7	G39 R44 P311 I314 E334	G39-Y41 VanDerWaalsContact C-N 3.29Å; G39-Y41 PolarHBondContact O-N 3.2Å; Y41-R44 PolarHBondContact O-NH1 2.8Å; Y41-P311 HydrophobicContact CD2-CB 3.8Å; Y41-P311 HydrophobicContact CD2-CG 4.22Å; Y41-P311 HydrophobicContact CE2-CB 4.12Å; Y41-P311 HydrophobicContact CG-CB 4.44Å; Y41-I314 HydrophobicContact CD1-CD1 3.62Å; Y41-I314 HydrophobicContact CD1-CG2 4.15Å; Y41-I314 HydrophobicContact CE1-CB 4.42Å; Y41-I314 HydrophobicContact CE1-CD1 4.35Å; Y41-I314 HydrophobicContact CE1-CG2 3.82Å; Y41-I314 HydrophobicContact CG-CD1 4.15Å; Y41-E334 PolarHBondContact OH-OE1 2.89Å
42	N	98.7	Very high	98.8	Very high	13 Å²	13	8 Å²	8	7%	0.07	4%	0.044	C	C	.	.	G	3₁₀ helix	trans	-104.3	21	178.8	-62.8	-41.9	0	0	0	113.5	S37 N38 G39 W40 R44 H45 H148	S37-N42 WeakPolarHBondContact OG-CB 3.28Å; N38-N42 WeakPolarHBondContact O-CB 3.22Å; N38-N42 PolarHBondContact O-ND2 3.02Å; N38-N42 VanDerWaalsContact O-ND2 3.14Å; G39-N42 CarbonylContact O-C 3.54Å; G39-N42 WeakPolarHBondContact O-CA 3.36Å; G39-N42 PolarHBondContact O-N 3.28Å; W40-N42 PolarHBondContact O-N 3.35Å; N42-R44 PolarHBondContact O-N 3.46Å; N42-R44 VanDerWaalsContact O-N 3.07Å; N42-R44 PolarHBondContact OD1-NH1 3.46Å; N42-R44 PolarHBondContact OD1-NH2 2.77Å; N42-H45 PolarHBondContact O-N 2.76Å; N42-H148 PolarHBondContact OD1-NE2 3.48Å; N42-H148 VanDerWaalsContact OD1-NE2 3.09Å
43	Y	98.9	Very high	98.8	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-40	-47	171.8	-178.9	-76.3	0	0	0	113.2	G39 W40 H45 Q46 A47 I74 V86 I87 T227 L229	G39-Y43 PolarHBondContact O-N 2.9Å; W40-Y43 HydrophobicContact CD2-CD2 4.47Å; W40-Y43 HydrophobicContact CE3-CD2 4.01Å; W40-Y43 AromaticContact CH2-CD2 3.58Å; W40-Y43 HydrophobicContact CH2-CD2 3.58Å; W40-Y43 AromaticContact CH2-CE2 3.61Å; W40-Y43 HydrophobicContact CH2-CE2 3.61Å; W40-Y43 HydrophobicContact CZ2-CD2 4.1Å; W40-Y43 HydrophobicContact CZ2-CE2 4.35Å; W40-Y43 AromaticContact CZ3-CD2 3.55Å; W40-Y43 HydrophobicContact CZ3-CD2 3.55Å; W40-Y43 AromaticContact CZ3-CE2 3.84Å; W40-Y43 HydrophobicContact CZ3-CE2 3.84Å; W40-Y43 WeakPolarHBondContact O-CB 3.46Å; W40-Y43 PolarHBondContact O-N 3.18Å; Y43-H45 VanDerWaalsContact C-N 3.31Å; Y43-H45 PolarHBondContact O-N 2.77Å; Y43-Q46 PolarHBondContact O-N 3.33Å; Y43-A47 HydrophobicContact CD1-CB 3.91Å; Y43-A47 HydrophobicContact CE1-CB 3.67Å; Y43-A47 PolarHBondContact O-N 3.15Å; Y43-I74 HydrophobicContact CD2-CG2 3.25Å; Y43-I74 HydrophobicContact CE2-CG2 3.3Å; Y43-I74 HydrophobicContact CG-CG2 4Å; Y43-V86 HydrophobicContact CE1-CG1 3.92Å; Y43-V86 HydrophobicContact CE2-CG1 4.33Å; Y43-V86 VanDerWaalsContact OH-CA 3.22Å; Y43-V86 WeakPolarHBondContact OH-CA 3.46Å; Y43-V86 WeakPolarHBondContact OH-CG1 3.14Å; Y43-I87 VanDerWaalsContact CE1-O 3.29Å; Y43-I87 WeakPolarHBondContact CE1-O 3.43Å; Y43-I87 PolarHBondContact OH-N 3.08Å; Y43-T227 HydrophobicContact CD1-CG2 4.16Å; Y43-T227 HydrophobicContact CD2-CG2 3.91Å; Y43-T227 HydrophobicContact CG-CG2 3.62Å; Y43-L229 HydrophobicContact CD1-CD2 4.2Å; Y43-L229 HydrophobicContact CE1-CD2 3.7Å
44	R	98.9	Very high	98.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-48.8	-42	-177.3	58.7	-173.4	-165.4	-72.8	-7.7	114.8	Y41 N42 A47 D48 H148 Y228 D231 S307	Y41-R44 PolarHBondContact O-NH1 2.8Å; N42-R44 PolarHBondContact O-N 3.46Å; N42-R44 VanDerWaalsContact O-N 3.07Å; N42-R44 PolarHBondContact OD1-NH1 3.46Å; N42-R44 PolarHBondContact OD1-NH2 2.77Å; R44-A47 PolarHBondContact O-N 2.91Å; R44-D48 VanDerWaalsContact O-CB 3.3Å; R44-D48 WeakPolarHBondContact O-CB 3.24Å; R44-D48 VanDerWaalsContact O-CG 3.25Å; R44-D48 PolarHBondContact O-N 3.02Å; R44-H148 PolarHBondContact NH2-CE1 2.52Å; R44-Y228 WeakPolarHBondContact CB-O 2.92Å; R44-Y228 PolarHBondContact N-O 3.5Å; R44-D231 WeakPolarHBondContact CB-OD2 3.45Å; R44-D231 WeakPolarHBondContact CD-OD1 3.21Å; R44-D231 WeakPolarHBondContact CD-OD2 3.26Å; R44-D231 WeakPolarHBondContact CG-OD2 3.36Å; R44-D231 IonicContact NE-OD1 3.6Å; R44-D231 PolarHBondContact NE-OD1 2.67Å; R44-D231 IonicContact NE-OD2 3.45Å; R44-S307 PolarHBondContact NH2-OG 3.18Å; R44-S307 VanDerWaalsContact NH2-OG 3.17Å
45	H	98.9	Very high	98.8	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-73.8	-37	-174.9	-50.1	132.3	0	0	0	111.9	A35 S37 N42 Y43 D48 A49 T146 D147 H148 D231	A35-H45 HydrophobicContact CB-CB 4.44Å; S37-H45 PolarHBondContact OG-ND1 3.09Å; N42-H45 PolarHBondContact O-N 2.76Å; Y43-H45 VanDerWaalsContact C-N 3.31Å; Y43-H45 PolarHBondContact O-N 2.77Å; H45-D48 WeakPolarHBondContact O-CB 3.5Å; H45-A49 PolarHBondContact O-N 3.12Å; H45-T146 HydrophobicContact CB-CG2 4.26Å; H45-T146 WeakPolarHBondContact O-CG2 3.25Å; H45-D147 IonicContact CE1-OD1 3.4Å; H45-D147 PolarHBondContact CE1-OD1 3.33Å; H45-D147 IonicContact CG-OD1 3.74Å; H45-D147 IonicContact ND1-OD1 3.84Å; H45-D147 PolarHBondContact ND1-OD1 3.34Å; H45-D147 VanDerWaalsContact ND1-OD1 3.13Å; H45-D147 IonicContact NE2-OD1 3.6Å; H45-H148 AromaticContact CE1-CD2 3.97Å; H45-H148 AromaticContact CE1-NE2 3.97Å; H45-D231 IonicContact CD2-OD2 3.61Å; H45-D231 PolarHBondContact CD2-OD2 2.75Å; H45-D231 IonicContact NE2-OD1 2.76Å; H45-D231 IonicContact NE2-OD2 2.77Å
46	Q	98.9	Very high	98.7	Very high	4 Å²	4	10.1 Å²	10.1	2%	0.019	5%	0.054	C	C	.	.	H	α-helix	trans	-75	-33.1	174.4	-67.8	-176.1	53.2	0	0	111.6	A35 S37 Y43 D48 A49 C50 M70 D73 I74	A35-Q46 HydrophobicContact CB-CB 4.44Å; A35-Q46 HydrophobicContact CB-CG 3.74Å; S37-Q46 PolarHBondContact O-NE2 2.76Å; S37-Q46 VanDerWaalsContact O-NE2 3.1Å; Y43-Q46 PolarHBondContact O-N 3.33Å; Q46-D48 VanDerWaalsContact C-N 3.35Å; Q46-A49 PolarHBondContact O-N 2.99Å; Q46-C50 VanDerWaalsContact O-CB 3.32Å; Q46-C50 WeakPolarHBondContact O-CB 3.36Å; Q46-C50 PolarHBondContact O-N 3.45Å; Q46-C50 PolarHBondContact O-SG 3.31Å; Q46-M70 HydrophobicContact CG-CB 4.22Å; Q46-D73 PolarHBondContact NE2-OD1 3.22Å; Q46-I74 HydrophobicContact CB-CG1 4.04Å; Q46-I74 HydrophobicContact CG-CG1 4.29Å
47	A	98.9	Very high	98.7	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-63.1	-41.7	171	0	0	0	0	0	111.9	Y43 R44 C50 H51 V86 N88 L229	Y43-A47 HydrophobicContact CD1-CB 3.91Å; Y43-A47 HydrophobicContact CE1-CB 3.67Å; Y43-A47 PolarHBondContact O-N 3.15Å; R44-A47 PolarHBondContact O-N 2.91Å; A47-C50 PolarHBondContact O-N 3.48Å; A47-H51 WeakPolarHBondContact O-CB 3.27Å; A47-H51 PolarHBondContact O-N 2.73Å; A47-V86 HydrophobicContact CB-CG1 3.63Å; A47-N88 HydrophobicContact CB-CB 4.19Å; A47-L229 VanDerWaalsContact CB-O 3.25Å; A47-L229 WeakPolarHBondContact CB-O 3.36Å
48	D	99	Very high	98.7	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.2	-49.6	173.8	-84.9	-0.2	0	0	0	111.5	R44 H45 Q46 C50 H51 A52 N88 Y144 T146 G230 D231 S234 M238	R44-D48 VanDerWaalsContact O-CB 3.3Å; R44-D48 WeakPolarHBondContact O-CB 3.24Å; R44-D48 VanDerWaalsContact O-CG 3.25Å; R44-D48 PolarHBondContact O-N 3.02Å; H45-D48 WeakPolarHBondContact O-CB 3.5Å; Q46-D48 VanDerWaalsContact C-N 3.35Å; D48-C50 VanDerWaalsContact C-N 3.34Å; D48-C50 PolarHBondContact O-N 3.06Å; D48-H51 PolarHBondContact O-N 3.5Å; D48-A52 WeakPolarHBondContact O-CB 3.44Å; D48-A52 PolarHBondContact O-N 3.43Å; D48-N88 PolarHBondContact N-ND2 3.31Å; D48-N88 PolarHBondContact OD1-ND2 2.91Å; D48-Y144 HydrophobicContact CB-CE1 4.49Å; D48-Y144 WeakPolarHBondContact CB-OH 3.48Å; D48-Y144 PolarHBondContact OD2-OH 2.86Å; D48-T146 HydrophobicContact CB-CG2 3.77Å; D48-T146 PolarHBondContact OD2-OG1 2.79Å; D48-T146 VanDerWaalsContact OD2-OG1 3.07Å; D48-G230 WeakPolarHBondContact OD1-CA 3.22Å; D48-D231 PolarHBondContact OD1-N 3.17Å; D48-D231 WeakPolarHBondContact OD2-CB 3.39Å; D48-S234 WeakPolarHBondContact OD2-CB 3.36Å; D48-S234 PolarHBondContact OD2-OG 3.19Å; D48-M238 HydrophobicContact CB-CE 4.17Å; D48-M238 VanDerWaalsContact O-SD 3.35Å
49	A	98.9	Very high	98.6	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-60	-43.1	177.2	0	0	0	0	0	112.3	I33 A35 H45 Q46 A52 Y53 T146	I33-A49 HydrophobicContact CG2-CB 3.56Å; A35-A49 HydrophobicContact CB-CB 3.91Å; H45-A49 PolarHBondContact O-N 3.12Å; Q46-A49 PolarHBondContact O-N 2.99Å; A49-A52 PolarHBondContact O-N 2.71Å; A49-Y53 PolarHBondContact O-N 2.93Å; A49-T146 HydrophobicContact CB-CG2 4.37Å
50	C	98.9	Very high	98.5	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.007	7%	0.068	C	C	.	.	H	α-helix	trans	-61.2	-45.1	175.1	-73.3	0	0	0	0	111.4	Q46 A47 D48 Y53 Q54 V95 V99	Q46-C50 VanDerWaalsContact O-CB 3.32Å; Q46-C50 WeakPolarHBondContact O-CB 3.36Å; Q46-C50 PolarHBondContact O-N 3.45Å; Q46-C50 PolarHBondContact O-SG 3.31Å; A47-C50 PolarHBondContact O-N 3.48Å; D48-C50 VanDerWaalsContact C-N 3.34Å; D48-C50 PolarHBondContact O-N 3.06Å; C50-Y53 WeakPolarHBondContact O-CB 3.49Å; C50-Y53 PolarHBondContact O-N 2.61Å; C50-Q54 WeakPolarHBondContact O-CG 3.45Å; C50-Q54 PolarHBondContact O-N 3.25Å; C50-V95 HydrophobicContact CB-CB 4.06Å; C50-V95 HydrophobicContact CB-CG2 3.67Å; C50-V95 WeakPolarHBondContact CB-O 3.39Å; C50-V99 HydrophobicContact CB-CG2 4.05Å
51	H	98.9	Very high	98.5	Very high	11 Å²	11	13.4 Å²	13.4	5%	0.051	6%	0.064	C	C	.	.	H	α-helix	trans	-65.6	-41.7	179.1	-172	-172.8	0	0	0	112.1	A47 D48 Y53 Q54 I55 N88 V95 M238 D242	A47-H51 WeakPolarHBondContact O-CB 3.27Å; A47-H51 PolarHBondContact O-N 2.73Å; D48-H51 PolarHBondContact O-N 3.5Å; H51-Y53 VanDerWaalsContact C-N 3.29Å; H51-Y53 PolarHBondContact O-N 3.28Å; H51-Q54 WeakPolarHBondContact O-CB 3.26Å; H51-Q54 PolarHBondContact O-N 2.75Å; H51-I55 PolarHBondContact O-N 3.23Å; H51-I55 VanDerWaalsContact O-N 3.12Å; H51-N88 HydrophobicContact CB-CB 3.85Å; H51-N88 PolarHBondContact ND1-OD1 2.92Å; H51-V95 HydrophobicContact CB-CB 4.3Å; H51-V95 HydrophobicContact CB-CG1 4.01Å; H51-M238 HydrophobicContact CB-CE 4.13Å; H51-M238 HydrophobicContact CB-SD 3.68Å; H51-D242 IonicContact CE1-OD2 2.86Å; H51-D242 IonicContact NE2-OD1 3.23Å; H51-D242 IonicContact NE2-OD2 3.26Å; H51-D242 PolarHBondContact NE2-OD2 3.21Å
52	A	98.9	Very high	98.5	Very high	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-55.9	-45.2	171.8	0	0	0	0	0	111	I33 D48 A49 Q54 I55 I56 Y144 W237 M238	I33-A52 HydrophobicContact CD1-CB 3.98Å; I33-A52 HydrophobicContact CG2-CB 4.47Å; D48-A52 WeakPolarHBondContact O-CB 3.44Å; D48-A52 PolarHBondContact O-N 3.43Å; A49-A52 PolarHBondContact O-N 2.71Å; A52-Q54 VanDerWaalsContact C-N 3.34Å; A52-Q54 PolarHBondContact O-N 3.08Å; A52-I55 PolarHBondContact O-N 2.76Å; A52-I56 VanDerWaalsContact O-CG1 3.22Å; A52-I56 WeakPolarHBondContact O-CG1 3.4Å; A52-I56 PolarHBondContact O-N 3.12Å; A52-I56 VanDerWaalsContact O-N 3.11Å; A52-Y144 HydrophobicContact CB-CD1 3.48Å; A52-Y144 VanDerWaalsContact CB-CD1 3.48Å; A52-Y144 HydrophobicContact CB-CE1 3.68Å; A52-W237 HydrophobicContact CB-CH2 3.85Å; A52-W237 HydrophobicContact CB-CZ2 4.01Å; A52-M238 HydrophobicContact CB-SD 4.04Å; A52-M238 PolarHBondContact N-SD 3.44Å; A52-M238 VanDerWaalsContact N-SD 3.41Å
53	Y	98.9	Very high	98.5	Very high	4 Å²	4	15 Å²	15	2%	0.016	8%	0.077	C	C	.	.	H	α-helix	trans	-57.2	-45.2	174.6	169.5	-96	0	0	0	112.2	A49 C50 H51 I55 I56 H57 D63 I66 V68 G98 V99 P100	A49-Y53 PolarHBondContact O-N 2.93Å; C50-Y53 WeakPolarHBondContact O-CB 3.49Å; C50-Y53 PolarHBondContact O-N 2.61Å; H51-Y53 VanDerWaalsContact C-N 3.29Å; H51-Y53 PolarHBondContact O-N 3.28Å; Y53-I55 VanDerWaalsContact C-N 3.3Å; Y53-I55 PolarHBondContact O-N 2.92Å; Y53-I56 PolarHBondContact O-N 2.68Å; Y53-H57 HydrophobicContact CD1-CB 4.45Å; Y53-H57 HydrophobicContact CE1-CB 3.96Å; Y53-H57 HydrophobicContact CE2-CB 4.12Å; Y53-H57 AromaticContact CZ-CG 3.88Å; Y53-H57 AromaticContact CZ-ND1 3.79Å; Y53-H57 VanDerWaalsContact O-CB 3.28Å; Y53-H57 WeakPolarHBondContact O-CB 3.33Å; Y53-H57 PolarHBondContact O-N 3.36Å; Y53-H57 PolarHBondContact OH-ND1 3.43Å; Y53-H57 VanDerWaalsContact OH-ND1 3.12Å; Y53-D63 WeakPolarHBondContact CE2-OD1 3.42Å; Y53-D63 PolarHBondContact OH-OD1 2.9Å; Y53-I66 HydrophobicContact CD2-CD1 4.11Å; Y53-I66 HydrophobicContact CD2-CG2 4.15Å; Y53-I66 HydrophobicContact CE2-CD1 3.81Å; Y53-V68 HydrophobicContact CD2-CG2 4.35Å; Y53-G98 PolarHBondContact OH-O 3.1Å; Y53-V99 HydrophobicContact CD1-CB 4.08Å; Y53-V99 HydrophobicContact CD1-CG1 4.48Å; Y53-V99 HydrophobicContact CD1-CG2 3.52Å; Y53-V99 HydrophobicContact CE1-CG2 4.22Å; Y53-V99 HydrophobicContact CG-CB 4.41Å; Y53-V99 HydrophobicContact CG-CG1 4.31Å; Y53-V99 HydrophobicContact CG-CG2 4.06Å; Y53-P100 VanDerWaalsContact CD2-CD 3.42Å; Y53-P100 HydrophobicContact CD2-CG 4.17Å; Y53-P100 HydrophobicContact CE2-CG 3.63Å; Y53-P100 VanDerWaalsContact CZ-CD 3.42Å
54	Q	98.9	Very high	98.5	Very high	42 Å²	42	21 Å²	21	20%	0.196	11%	0.105	C	C	.	.	H	α-helix	trans	-59.8	-40.1	-179.6	-62.2	-55	-30.4	0	0	112.4	C50 H51 A52 R58 V95 Q97	C50-Q54 WeakPolarHBondContact O-CG 3.45Å; C50-Q54 PolarHBondContact O-N 3.25Å; H51-Q54 WeakPolarHBondContact O-CB 3.26Å; H51-Q54 PolarHBondContact O-N 2.75Å; A52-Q54 VanDerWaalsContact C-N 3.34Å; A52-Q54 PolarHBondContact O-N 3.08Å; Q54-R58 WeakPolarHBondContact O-CB 3.47Å; Q54-R58 PolarHBondContact O-N 3.27Å; Q54-V95 HydrophobicContact CG-CB 4.06Å; Q54-V95 HydrophobicContact CG-CG1 4.35Å; Q54-V95 PolarHBondContact NE2-O 3.29Å; Q54-Q97 PolarHBondContact NE2-O 3.49Å
55	I	98.8	Very high	98.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.9	-49.8	175.7	-68.6	164.4	0	0	0	110.3	H51 A52 Y53 R58 N59 W237 M238	H51-I55 PolarHBondContact O-N 3.23Å; H51-I55 VanDerWaalsContact O-N 3.12Å; A52-I55 PolarHBondContact O-N 2.76Å; Y53-I55 VanDerWaalsContact C-N 3.3Å; Y53-I55 PolarHBondContact O-N 2.92Å; I55-R58 PolarHBondContact O-N 3.46Å; I55-N59 WeakPolarHBondContact O-CB 3.27Å; I55-N59 PolarHBondContact O-N 3.46Å; I55-N59 PolarHBondContact O-ND2 2.7Å; I55-W237 HydrophobicContact CD1-CZ3 4.23Å; I55-M238 HydrophobicContact CD1-CB 3.57Å; I55-M238 HydrophobicContact CD1-CG 3.75Å; I55-M238 WeakPolarHBondContact CD1-O 3.46Å
56	I	98.5	Very high	98.5	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-61.8	-47.4	-178.5	-64.6	-55.9	0	0	0	111.2	V31 A52 Y53 N59 G60 I61 I66 F142 Q284	V31-I56 HydrophobicContact CB-CG2 4.33Å; V31-I56 HydrophobicContact CG1-CD1 4.41Å; V31-I56 HydrophobicContact CG1-CG1 4.2Å; V31-I56 HydrophobicContact CG2-CD1 3.99Å; V31-I56 HydrophobicContact CG2-CG1 4.26Å; V31-I56 HydrophobicContact CG2-CG2 3.76Å; A52-I56 VanDerWaalsContact O-CG1 3.22Å; A52-I56 WeakPolarHBondContact O-CG1 3.4Å; A52-I56 PolarHBondContact O-N 3.12Å; A52-I56 VanDerWaalsContact O-N 3.11Å; Y53-I56 PolarHBondContact O-N 2.68Å; I56-N59 CarbonylContact O-C 3.56Å; I56-N59 PolarHBondContact O-N 2.84Å; I56-G60 PolarHBondContact O-N 3.2Å; I56-G60 VanDerWaalsContact O-N 3.15Å; I56-I61 HydrophobicContact CG2-CB 3.65Å; I56-I61 HydrophobicContact CG2-CD1 4.03Å; I56-I61 HydrophobicContact CG2-CG1 4.16Å; I56-I61 HydrophobicContact CG2-CG2 4.11Å; I56-I61 PolarHBondContact O-N 3.01Å; I56-I66 HydrophobicContact CB-CD1 4.46Å; I56-I66 HydrophobicContact CG2-CD1 3.46Å; I56-I66 VanDerWaalsContact CG2-CD1 3.46Å; I56-I66 HydrophobicContact CG2-CG1 3.81Å; I56-F142 HydrophobicContact CD1-CD1 4.18Å; I56-F142 HydrophobicContact CD1-CE1 4.45Å; I56-Q284 VanDerWaalsContact CD1-CA 3.41Å; I56-Q284 HydrophobicContact CD1-CB 3.76Å; I56-Q284 HydrophobicContact CD1-CG 4.09Å
57	H	97.8	Very high	98.5	Very high	89 Å²	89	21.9 Å²	21.9	41%	0.412	11%	0.109	S	C	.	.	H	α-helix	trans	-64.1	-47.6	179.4	-177.2	80.7	0	0	0	111.4	Y53 N59 G60 D63	Y53-H57 HydrophobicContact CD1-CB 4.45Å; Y53-H57 HydrophobicContact CE1-CB 3.96Å; Y53-H57 HydrophobicContact CE2-CB 4.12Å; Y53-H57 AromaticContact CZ-CG 3.88Å; Y53-H57 AromaticContact CZ-ND1 3.79Å; Y53-H57 VanDerWaalsContact O-CB 3.28Å; Y53-H57 WeakPolarHBondContact O-CB 3.33Å; Y53-H57 PolarHBondContact O-N 3.36Å; Y53-H57 PolarHBondContact OH-ND1 3.43Å; Y53-H57 VanDerWaalsContact OH-ND1 3.12Å; H57-N59 PolarHBondContact O-N 3.16Å; H57-G60 WeakPolarHBondContact O-CA 3.47Å; H57-G60 PolarHBondContact O-N 3.06Å; H57-D63 IonicContact ND1-OD1 3.13Å
58	R	97.6	Very high	98.5	Very high	52 Å²	52	21.9 Å²	21.9	20%	0.196	11%	0.109	C	C	.	.	H	α-helix	trans	-58.5	-39.4	177.2	-173.2	175.5	74.4	-127.3	-1.4	111.4	Q54 I55 G60 D242 K289 S292 L294	Q54-R58 WeakPolarHBondContact O-CB 3.47Å; Q54-R58 PolarHBondContact O-N 3.27Å; I55-R58 PolarHBondContact O-N 3.46Å; R58-G60 PolarHBondContact O-N 3.32Å; R58-D242 IonicContact CZ-OD1 3.21Å; R58-D242 IonicContact NH1-OD1 2.73Å; R58-D242 PolarHBondContact NH1-OD1 3.09Å; R58-D242 PolarHBondContact NH2-O 3.02Å; R58-D242 IonicContact NH2-OD1 3.57Å; R58-D242 PolarHBondContact NH2-OD1 3.13Å; R58-K289 PolarHBondContact O-NZ 3.18Å; R58-S292 PolarHBondContact NE-O 3.49Å; R58-L294 VanDerWaalsContact NH1-CG 3.35Å
59	N	97.1	Very high	98.5	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	7.3	177	-68.4	-62.3	0	0	0	114	I55 I56 H57 M281 Q284 M286 K289	I55-N59 WeakPolarHBondContact O-CB 3.27Å; I55-N59 PolarHBondContact O-N 3.46Å; I55-N59 PolarHBondContact O-ND2 2.7Å; I56-N59 CarbonylContact O-C 3.56Å; I56-N59 PolarHBondContact O-N 2.84Å; H57-N59 PolarHBondContact O-N 3.16Å; N59-M281 HydrophobicContact CB-CE 3.93Å; N59-M281 HydrophobicContact CB-SD 4.2Å; N59-Q284 VanDerWaalsContact CB-O 3.32Å; N59-Q284 WeakPolarHBondContact CB-O 3.32Å; N59-M286 PolarHBondContact O-N 2.96Å; N59-K289 VanDerWaalsContact O-CD 3.24Å; N59-K289 WeakPolarHBondContact O-CD 3.16Å
60	G	96.8	Very high	98.5	Very high	17 Å²	17	21.9 Å²	21.9	18%	0.175	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.1	11.9	160.2	0	0	0	0	0	116.5	I56 H57 R58 K289	I56-G60 PolarHBondContact O-N 3.2Å; I56-G60 VanDerWaalsContact O-N 3.15Å; H57-G60 WeakPolarHBondContact O-CA 3.47Å; H57-G60 PolarHBondContact O-N 3.06Å; R58-G60 PolarHBondContact O-N 3.32Å; G60-K289 VanDerWaalsContact CA-NZ 3.29Å
61	I	97.9	Very high	98.5	Very high	3 Å²	3	24.2 Å²	24.2	2%	0.015	12%	0.118	C	C	.	.			trans	-68.8	126.1	166.5	-59.9	-171.9	0	0	0	107.1	H29 V31 I56 Q65 I66 G285	H29-I61 HydrophobicContact CB-CD1 3.72Å; H29-I61 HydrophobicContact CB-CG1 4.38Å; H29-I61 WeakPolarHBondContact O-CG2 3.48Å; V31-I61 HydrophobicContact CG2-CD1 3.68Å; V31-I61 HydrophobicContact CG2-CG2 4.4Å; I56-I61 HydrophobicContact CG2-CB 3.65Å; I56-I61 HydrophobicContact CG2-CD1 4.03Å; I56-I61 HydrophobicContact CG2-CG1 4.16Å; I56-I61 HydrophobicContact CG2-CG2 4.11Å; I56-I61 PolarHBondContact O-N 3.01Å; I61-Q65 HydrophobicContact CG2-CB 3.88Å; I61-I66 HydrophobicContact CB-CD1 4.43Å; I61-I66 HydrophobicContact CB-CG1 4.46Å; I61-I66 HydrophobicContact CG2-CD1 4.2Å; I61-I66 HydrophobicContact CG2-CG1 3.73Å; I61-I66 WeakPolarHBondContact O-CD1 3.21Å; I61-G285 WeakPolarHBondContact CG1-O 3.2Å
62	P	98.1	Very high	98.5	Very high	33 Å²	33	25.4 Å²	25.4	21%	0.214	13%	0.125	C	C	.	.			trans	-80	153.3	-175.5	35.8	-38.8	0	0	0	111.3	E64 Q65	P62-E64 VanDerWaalsContact CB-CD 3.47Å; P62-E64 HydrophobicContact CB-CG 4.32Å; P62-E64 WeakPolarHBondContact CB-OE1 3.47Å; P62-E64 WeakPolarHBondContact CB-OE2 3.2Å; P62-E64 HydrophobicContact CG-CG 4.08Å; P62-E64 PolarHBondContact O-N 3.41Å; P62-E64 VanDerWaalsContact O-N 3.09Å; P62-Q65 HydrophobicContact CG-CB 4.32Å; P62-Q65 HydrophobicContact CG-CG 4.26Å; P62-Q65 WeakPolarHBondContact O-CA 3.46Å; P62-Q65 WeakPolarHBondContact O-CB 3.41Å; P62-Q65 PolarHBondContact O-N 2.74Å
63	D	98.7	Very high	98.5	Very high	59 Å²	59	27.8 Å²	27.8	32%	0.316	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-59.8	-25.4	-174.1	-65.1	-21.2	0	0	0	113.4	Y53 H57 Q65 I66 P100 K131	Y53-D63 WeakPolarHBondContact CE2-OD1 3.42Å; Y53-D63 PolarHBondContact OH-OD1 2.9Å; H57-D63 IonicContact ND1-OD1 3.13Å; D63-Q65 PolarHBondContact O-N 2.59Å; D63-I66 PolarHBondContact O-N 2.78Å; D63-P100 HydrophobicContact CB-CG 4.42Å; D63-K131 PolarHBondContact O-NZ 2.61Å
64	E	98.6	Very high	98.5	Very high	126 Å²	126	27.7 Å²	27.7	59%	0.589	14%	0.137	S	C	*	.	G	3₁₀ helix	trans	-64.9	-15	172.3	62.4	-96.4	-155.3	0	0	114.4	W30 P62	W30-E64 WeakPolarHBondContact CZ3-O 3.31Å; P62-E64 VanDerWaalsContact CB-CD 3.47Å; P62-E64 HydrophobicContact CB-CG 4.32Å; P62-E64 WeakPolarHBondContact CB-OE1 3.47Å; P62-E64 WeakPolarHBondContact CB-OE2 3.2Å; P62-E64 HydrophobicContact CG-CG 4.08Å; P62-E64 PolarHBondContact O-N 3.41Å; P62-E64 VanDerWaalsContact O-N 3.09Å
65	Q	98.8	Very high	98.4	Very high	21 Å²	21	25.7 Å²	25.7	10%	0.098	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-108.8	4.2	177.1	-73.7	171.5	-156.5	0	0	113	H29 W30 V31 I61 P62 D63	H29-Q65 PolarHBondContact O-NE2 3.07Å; W30-Q65 WeakPolarHBondContact CA-O 3.29Å; W30-Q65 HydrophobicContact CD2-CB 4.23Å; W30-Q65 HydrophobicContact CD2-CG 4.08Å; W30-Q65 HydrophobicContact CE3-CB 4.12Å; W30-Q65 HydrophobicContact CE3-CG 4.21Å; W30-Q65 HydrophobicContact CH2-CG 4.22Å; W30-Q65 HydrophobicContact CZ2-CG 4.13Å; W30-Q65 HydrophobicContact CZ3-CB 4.45Å; W30-Q65 HydrophobicContact CZ3-CG 4.28Å; V31-Q65 PolarHBondContact N-O 3.12Å; I61-Q65 HydrophobicContact CG2-CB 3.88Å; P62-Q65 HydrophobicContact CG-CB 4.32Å; P62-Q65 HydrophobicContact CG-CG 4.26Å; P62-Q65 WeakPolarHBondContact O-CA 3.46Å; P62-Q65 WeakPolarHBondContact O-CB 3.41Å; P62-Q65 PolarHBondContact O-N 2.74Å; D63-Q65 PolarHBondContact O-N 2.59Å
66	I	98.9	Very high	98.4	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	130.2	178.4	-50.6	167.5	0	0	0	108.4	V31 I33 Y53 I56 I61 D63 V68 K131	V31-I66 HydrophobicContact CB-CG1 4.49Å; V31-I66 HydrophobicContact CB-CG2 4.35Å; V31-I66 CarbonylContact O-C 3.59Å; V31-I66 WeakPolarHBondContact O-CA 3.25Å; I33-I66 HydrophobicContact CD1-CG2 4.44Å; Y53-I66 HydrophobicContact CD2-CD1 4.11Å; Y53-I66 HydrophobicContact CD2-CG2 4.15Å; Y53-I66 HydrophobicContact CE2-CD1 3.81Å; I56-I66 HydrophobicContact CB-CD1 4.46Å; I56-I66 HydrophobicContact CG2-CD1 3.46Å; I56-I66 VanDerWaalsContact CG2-CD1 3.46Å; I56-I66 HydrophobicContact CG2-CG1 3.81Å; I61-I66 HydrophobicContact CB-CD1 4.43Å; I61-I66 HydrophobicContact CB-CG1 4.46Å; I61-I66 HydrophobicContact CG2-CD1 4.2Å; I61-I66 HydrophobicContact CG2-CG1 3.73Å; I61-I66 WeakPolarHBondContact O-CD1 3.21Å; D63-I66 PolarHBondContact O-N 2.78Å; I66-V68 HydrophobicContact CG2-CG2 3.98Å; I66-K131 VanDerWaalsContact O-CD 3.26Å; I66-K131 WeakPolarHBondContact O-CD 3.39Å; I66-K131 PolarHBondContact O-NZ 3.35Å
67	I	98.9	Very high	98.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	121.3	172.2	-56.6	84	0	0	0	107.7	W30 V31 V32 I33 D102 Y103 V116 K131 L133	W30-I67 HydrophobicContact CE3-CD1 4.24Å; V31-I67 PolarHBondContact O-N 3.35Å; V32-I67 CarbonylContact C-O 3.57Å; V32-I67 WeakPolarHBondContact CA-O 3.49Å; V32-I67 HydrophobicContact CG2-CB 4.43Å; V32-I67 HydrophobicContact CG2-CD1 4.22Å; I33-I67 PolarHBondContact N-O 2.73Å; I67-D102 WeakPolarHBondContact CA-OD2 3.44Å; I67-D102 HydrophobicContact CG2-CB 4.07Å; I67-Y103 HydrophobicContact CG2-CD2 3.99Å; I67-Y103 HydrophobicContact CG2-CE2 3.78Å; I67-V116 HydrophobicContact CB-CG1 4.17Å; I67-V116 HydrophobicContact CG1-CG1 4.1Å; I67-V116 HydrophobicContact CG2-CG1 3.9Å; I67-V116 HydrophobicContact CG2-CG2 4.24Å; I67-K131 HydrophobicContact CD1-CD 4.48Å; I67-K131 HydrophobicContact CG1-CD 3.82Å; I67-K131 HydrophobicContact CG1-CG 4Å; I67-L133 HydrophobicContact CD1-CD2 3.78Å; I67-L133 HydrophobicContact CD1-CG 4.44Å
68	V	98.9	Very high	98.5	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.3	176.6	-178.2	0	0	0	0	110.9	I33 Y53 I66 M70 V99 P100 D102 Y103	I33-V68 HydrophobicContact CB-CG2 4.43Å; I33-V68 HydrophobicContact CD1-CG2 4.49Å; I33-V68 WeakPolarHBondContact O-CA 3.34Å; Y53-V68 HydrophobicContact CD2-CG2 4.35Å; I66-V68 HydrophobicContact CG2-CG2 3.98Å; V68-M70 HydrophobicContact CG1-CG 4.21Å; V68-M70 HydrophobicContact CG1-SD 4.25Å; V68-V99 HydrophobicContact CG1-CG1 3.91Å; V68-V99 HydrophobicContact CG2-CG1 4.33Å; V68-P100 HydrophobicContact CB-CB 4.42Å; V68-P100 WeakPolarHBondContact CB-O 3.43Å; V68-P100 HydrophobicContact CG2-CB 4.21Å; V68-P100 HydrophobicContact CG2-CG 4.32Å; V68-D102 PolarHBondContact N-OD2 3.45Å; V68-D102 WeakPolarHBondContact O-CB 3.42Å; V68-D102 PolarHBondContact O-N 2.97Å; V68-Y103 PolarHBondContact O-N 3.06Å; V68-Y103 VanDerWaalsContact O-N 3.14Å
69	M	98.9	Very high	98.5	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	111.7	172.6	-49.6	-174.6	65.5	0	0	108.8	I33 V34 A35 Y103 V108 N112 F113	I33-M69 PolarHBondContact O-N 3.17Å; V34-M69 CarbonylContact C-O 3.57Å; V34-M69 WeakPolarHBondContact CA-O 3.39Å; V34-M69 HydrophobicContact CB-CB 4.47Å; V34-M69 HydrophobicContact CG1-CB 4.22Å; V34-M69 HydrophobicContact CG2-CB 4.19Å; V34-M69 HydrophobicContact CG2-CG 4.26Å; V34-M69 HydrophobicContact CG2-SD 4.09Å; A35-M69 PolarHBondContact N-O 2.83Å; M69-Y103 WeakPolarHBondContact CA-O 3.35Å; M69-Y103 HydrophobicContact CE-CD1 4.49Å; M69-Y103 HydrophobicContact CE-CD2 4.34Å; M69-Y103 HydrophobicContact CE-CG 3.98Å; M69-Y103 HydrophobicContact CG-CD2 3.81Å; M69-Y103 HydrophobicContact CG-CG 4.16Å; M69-Y103 HydrophobicContact SD-CD2 4.36Å; M69-V108 HydrophobicContact CB-CG1 4.3Å; M69-N112 HydrophobicContact CE-CB 3.97Å; M69-F113 HydrophobicContact CE-CB 4.07Å; M69-F113 HydrophobicContact SD-CB 3.78Å; M69-F113 HydrophobicContact SD-CD2 4.06Å; M69-F113 HydrophobicContact SD-CG 4.42Å
70	M	98.9	Very high	98.6	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.005	21%	0.209	C	C	.	.			trans	-150.5	143.2	176.8	65	-178.9	-177.5	0	0	109	A35 Q46 V68 D72 Y96 V99 K101 Y103 T104	A35-M70 HydrophobicContact CB-CB 4.1Å; Q46-M70 HydrophobicContact CG-CB 4.22Å; V68-M70 HydrophobicContact CG1-CG 4.21Å; V68-M70 HydrophobicContact CG1-SD 4.25Å; M70-D72 HydrophobicContact CG-CB 4.49Å; M70-D72 PolarHBondContact O-N 3.1Å; M70-D72 VanDerWaalsContact O-N 3.15Å; M70-Y96 HydrophobicContact CE-CD2 4.46Å; M70-Y96 HydrophobicContact CE-CE2 3.84Å; M70-V99 HydrophobicContact CE-CB 4.27Å; M70-V99 HydrophobicContact CE-CG1 3.7Å; M70-V99 HydrophobicContact SD-CG1 4.05Å; M70-K101 HydrophobicContact CE-CG 4.31Å; M70-Y103 PolarHBondContact N-O 3.29Å; M70-Y103 VanDerWaalsContact N-O 3.12Å; M70-T104 VanDerWaalsContact O-CA 3.24Å; M70-T104 WeakPolarHBondContact O-CA 3.3Å; M70-T104 WeakPolarHBondContact O-CG2 3.32Å
71	Y	98.9	Very high	98.6	Very high	50 Å²	50	44.1 Å²	44.1	20%	0.196	22%	0.217	C	C	.	.			trans	-63.3	-26.8	-172.8	-160.4	-94	0	0	0	113	N38 D73 G105 E106 P157	N38-Y71 HydrophobicContact CB-CD1 3.48Å; N38-Y71 VanDerWaalsContact CB-CD1 3.48Å; N38-Y71 HydrophobicContact CB-CD2 4.04Å; N38-Y71 HydrophobicContact CB-CE1 4.03Å; N38-Y71 HydrophobicContact CB-CG 3.48Å; N38-Y71 VanDerWaalsContact CB-CG 3.48Å; Y71-D73 HydrophobicContact CD1-CB 3.83Å; Y71-D73 HydrophobicContact CE1-CB 4.32Å; Y71-G105 VanDerWaalsContact CD2-C 3.49Å; Y71-G105 WeakPolarHBondContact CD2-O 3.34Å; Y71-G105 WeakPolarHBondContact CE2-O 3.32Å; Y71-G105 PolarHBondContact O-N 2.94Å; Y71-E106 PolarHBondContact OH-OE1 3.47Å; Y71-P157 HydrophobicContact CD2-CB 3.67Å; Y71-P157 HydrophobicContact CD2-CG 3.77Å; Y71-P157 HydrophobicContact CE2-CB 3.98Å
72	D	98.8	Very high	98.7	Very high	36 Å²	36	45.2 Å²	45.2	19%	0.193	22%	0.224	C	C	.	.			trans	69.6	31.4	173.3	-162.1	38.5	0	0	0	114.8	M70 Y96 K101 T104	M70-D72 HydrophobicContact CG-CB 4.49Å; M70-D72 PolarHBondContact O-N 3.1Å; M70-D72 VanDerWaalsContact O-N 3.15Å; D72-Y96 VanDerWaalsContact OD1-CE2 3.25Å; D72-Y96 WeakPolarHBondContact OD1-CE2 3.48Å; D72-Y96 VanDerWaalsContact OD1-CZ 3.29Å; D72-Y96 PolarHBondContact OD1-OH 3Å; D72-Y96 PolarHBondContact OD2-OH 3.44Å; D72-K101 IonicContact OD1-NZ 2.67Å; D72-K101 WeakPolarHBondContact OD2-CD 3.38Å; D72-K101 WeakPolarHBondContact OD2-CE 3.22Å; D72-K101 IonicContact OD2-NZ 3.15Å; D72-K101 PolarHBondContact OD2-NZ 2.93Å; D72-T104 HydrophobicContact CB-CG2 3.8Å
73	D	98.8	Very high	98.7	Very high	49 Å²	49	48 Å²	48	26%	0.262	24%	0.242	S	C	.	.			trans	-100.7	5.5	178	64.8	-34	0	0	0	114.1	N38 G39 Q46 Y71 S77	N38-D73 WeakPolarHBondContact CB-OD2 3.32Å; G39-D73 WeakPolarHBondContact CA-OD2 3.27Å; G39-D73 PolarHBondContact N-OD2 3.42Å; Q46-D73 PolarHBondContact NE2-OD1 3.22Å; Y71-D73 HydrophobicContact CD1-CB 3.83Å; Y71-D73 HydrophobicContact CE1-CB 4.32Å; D73-S77 WeakPolarHBondContact O-CB 3.41Å
74	I	98.9	Very high	98.7	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	23%	0.234	C	C	.	.	S	Bend	trans	-93.1	-53.4	-174	-62.9	-55.3	0	0	0	112.4	W40 Y43 Q46 Y76 S77 N80 V86	W40-I74 HydrophobicContact CE3-CD1 4.14Å; W40-I74 HydrophobicContact CZ3-CG2 4.07Å; Y43-I74 HydrophobicContact CD2-CG2 3.25Å; Y43-I74 HydrophobicContact CE2-CG2 3.3Å; Y43-I74 HydrophobicContact CG-CG2 4Å; Q46-I74 HydrophobicContact CB-CG1 4.04Å; Q46-I74 HydrophobicContact CG-CG1 4.29Å; I74-Y76 PolarHBondContact O-N 3.07Å; I74-Y76 VanDerWaalsContact O-N 3.15Å; I74-S77 PolarHBondContact O-N 3.2Å; I74-N80 PolarHBondContact O-ND2 3.26Å; I74-V86 HydrophobicContact CG2-CG1 4.32Å; I74-V86 HydrophobicContact CG2-CG2 3.9Å
75	A	98.8	Very high	98.7	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-35.6	-169.3	0	0	0	0	0	113.1	N80 P83 G84 V86 Y96	A75-N80 PolarHBondContact O-ND2 3.38Å; A75-P83 CarbonylContact O-C 3.56Å; A75-G84 PolarHBondContact O-N 2.69Å; A75-V86 HydrophobicContact CB-CG2 3.93Å; A75-Y96 HydrophobicContact CB-CD1 3.62Å; A75-Y96 HydrophobicContact CB-CD2 3.92Å; A75-Y96 HydrophobicContact CB-CE1 3.32Å; A75-Y96 HydrophobicContact CB-CE2 3.64Å; A75-Y96 HydrophobicContact CB-CG 3.9Å
76	Y	98.7	Very high	98.7	Very high	164 Å²	164	42.2 Å²	42.2	64%	0.643	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-114.5	20.6	-179.8	-60.7	-79.9	0	0	0	113.3	I74 Y96	I74-Y76 PolarHBondContact O-N 3.07Å; I74-Y76 VanDerWaalsContact O-N 3.15Å; Y76-Y96 HydrophobicContact CE2-CE1 4.09Å
77	S	98.7	Very high	98.7	Very high	26 Å²	26	42.6 Å²	42.6	18%	0.182	22%	0.221	C	C	.	.			trans	-56.4	145.4	169.9	-179.7	0	0	0	0	110.7	D73 I74 D79 N80	D73-S77 WeakPolarHBondContact O-CB 3.41Å; I74-S77 PolarHBondContact O-N 3.2Å; S77-D79 PolarHBondContact O-N 3.04Å; S77-D79 PolarHBondContact OG-N 3.45Å; S77-D79 VanDerWaalsContact OG-N 3.12Å; S77-N80 WeakPolarHBondContact O-CB 3.34Å; S77-N80 PolarHBondContact O-N 3.33Å
78	E	98.4	Very high	98.7	Very high	201 Å²	201	42.8 Å²	42.8	94%	0.939	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-25.7	170.3	-63.3	-173.5	170.6	0	0	111.8	N80	E78-N80 VanDerWaalsContact C-N 3.27Å; E78-N80 PolarHBondContact O-N 3.43Å
79	D	97.7	Very high	98.7	Very high	97 Å²	97	43.8 Å²	43.8	52%	0.519	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-10.2	175	-65.7	-48	0	0	0	113	W40 S77 P81	W40-D79 HydrophobicContact CB-CB 4.35Å; W40-D79 HydrophobicContact CD2-CB 3.56Å; W40-D79 HydrophobicContact CE3-CB 4.12Å; W40-D79 HydrophobicContact CG-CB 3.66Å; W40-D79 HydrophobicContact CZ2-CB 4.28Å; W40-D79 VanDerWaalsContact CZ2-O 3.3Å; W40-D79 WeakPolarHBondContact CZ2-O 3.26Å; S77-D79 PolarHBondContact O-N 3.04Å; S77-D79 PolarHBondContact OG-N 3.45Å; S77-D79 VanDerWaalsContact OG-N 3.12Å; D79-P81 WeakPolarHBondContact O-CD 3.46Å
80	N	98.6	Very high	98.6	Very high	6 Å²	6	45.5 Å²	45.5	3%	0.032	24%	0.236	C	C	.	.			trans	-81.7	110.3	-178.2	-168.2	-4.2	0	0	0	111.6	W40 I74 A75 S77 E78 T82 P83 I85	W40-N80 HydrophobicContact CH2-CB 3.48Å; W40-N80 VanDerWaalsContact CH2-CB 3.48Å; W40-N80 HydrophobicContact CZ2-CB 4.44Å; W40-N80 HydrophobicContact CZ3-CB 3.72Å; I74-N80 PolarHBondContact O-ND2 3.26Å; A75-N80 PolarHBondContact O-ND2 3.38Å; S77-N80 WeakPolarHBondContact O-CB 3.34Å; S77-N80 PolarHBondContact O-N 3.33Å; E78-N80 VanDerWaalsContact C-N 3.27Å; E78-N80 PolarHBondContact O-N 3.43Å; N80-T82 PolarHBondContact ND2-O 3.11Å; N80-T82 VanDerWaalsContact ND2-O 3.12Å; N80-T82 PolarHBondContact O-N 2.81Å; N80-T82 VanDerWaalsContact O-N 3.12Å; N80-T82 PolarHBondContact OD1-N 3.18Å; N80-T82 PolarHBondContact OD1-O 2.89Å; N80-T82 PolarHBondContact OD1-OG1 3.15Å; N80-P83 WeakPolarHBondContact O-CD 3.49Å; N80-I85 PolarHBondContact ND2-O 3.14Å
81	P	98.3	Very high	98.4	Very high	53 Å²	53	53.2 Å²	53.2	34%	0.344	28%	0.278	S	S	.	.	S	Bend	trans	-73.4	-3.9	179	36.4	-41.3	0	0	0	113	D79 K224 R225	D79-P81 WeakPolarHBondContact O-CD 3.46Å; P81-K224 HydrophobicContact CB-CG 4.17Å; P81-K224 HydrophobicContact CG-CD 4.38Å; P81-K224 HydrophobicContact CG-CG 3.92Å; P81-R225 HydrophobicContact CG-CG 3.68Å
82	T	98.4	Very high	98.3	Very high	26 Å²	26	51.8 Å²	51.8	16%	0.16	28%	0.278	C	S	.	.	S	Bend	trans	-133.5	75.2	173.9	53.6	0	0	0	0	109.7	N80 G84 I85 R225	N80-T82 PolarHBondContact ND2-O 3.11Å; N80-T82 VanDerWaalsContact ND2-O 3.12Å; N80-T82 PolarHBondContact O-N 2.81Å; N80-T82 VanDerWaalsContact O-N 3.12Å; N80-T82 PolarHBondContact OD1-N 3.18Å; N80-T82 PolarHBondContact OD1-O 2.89Å; N80-T82 PolarHBondContact OD1-OG1 3.15Å; T82-G84 PolarHBondContact O-N 3.25Å; T82-I85 WeakPolarHBondContact O-CB 3.48Å; T82-I85 PolarHBondContact O-N 2.83Å; T82-R225 PolarHBondContact OG1-NH2 3.41Å
83	P	98.6	Very high	98.2	Very high	91 Å²	91	55.2 Å²	55.2	59%	0.591	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	137.6	-175.8	-26.4	35.1	0	0	0	112.7	A75 N80 I85	A75-P83 CarbonylContact O-C 3.56Å; N80-P83 WeakPolarHBondContact O-CD 3.49Å; P83-I85 VanDerWaalsContact C-N 3.27Å; P83-I85 PolarHBondContact O-N 2.91Å
84	G	98.5	Very high	98.2	Very high	15 Å²	15	55.1 Å²	55.1	16%	0.155	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.4	-1.2	-176.1	0	0	0	0	0	115.1	A75 T82 Y96	A75-G84 PolarHBondContact O-N 2.69Å; T82-G84 PolarHBondContact O-N 3.25Å; G84-Y96 WeakPolarHBondContact O-CD1 3.24Å
85	I	98.8	Very high	98.2	Very high	67 Å²	67	55.3 Å²	55.3	34%	0.344	30%	0.301	S	S	.	.			trans	-117.9	132.3	-178.5	-63.6	170.7	0	0	0	110.2	N80 T82 P83 I87 D94	N80-I85 PolarHBondContact ND2-O 3.14Å; T82-I85 WeakPolarHBondContact O-CB 3.48Å; T82-I85 PolarHBondContact O-N 2.83Å; P83-I85 VanDerWaalsContact C-N 3.27Å; P83-I85 PolarHBondContact O-N 2.91Å; I85-I87 HydrophobicContact CG2-CG2 4.07Å; I85-D94 HydrophobicContact CG2-CB 3.99Å
86	V	98.9	Very high	98.2	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.012	31%	0.305	C	S	.	.			trans	-123	137.5	170.5	-176	0	0	0	0	108.9	Y43 A47 I74 A75 D94 V95 Y96	Y43-V86 HydrophobicContact CE1-CG1 3.92Å; Y43-V86 HydrophobicContact CE2-CG1 4.33Å; Y43-V86 VanDerWaalsContact OH-CA 3.22Å; Y43-V86 WeakPolarHBondContact OH-CA 3.46Å; Y43-V86 WeakPolarHBondContact OH-CG1 3.14Å; A47-V86 HydrophobicContact CB-CG1 3.63Å; I74-V86 HydrophobicContact CG2-CG1 4.32Å; I74-V86 HydrophobicContact CG2-CG2 3.9Å; A75-V86 HydrophobicContact CB-CG2 3.93Å; V86-D94 PolarHBondContact N-OD1 2.75Å; V86-D94 CarbonylContact O-C 3.6Å; V86-D94 WeakPolarHBondContact O-CA 3.34Å; V86-V95 HydrophobicContact CB-CG2 4.29Å; V86-V95 HydrophobicContact CG1-CG2 4.15Å; V86-V95 VanDerWaalsContact O-CG2 3.31Å; V86-V95 WeakPolarHBondContact O-CG2 3.39Å; V86-V95 PolarHBondContact O-N 3.03Å; V86-Y96 HydrophobicContact CG2-CD2 3.9Å; V86-Y96 HydrophobicContact CG2-CG 3.94Å
87	I	98.8	Very high	98.2	Very high	9 Å²	9	55.4 Å²	55.4	5%	0.046	31%	0.307	C	S	.	.			trans	-126.5	143.3	178.7	62.7	170.7	0	0	0	109.6	Y43 I85 R225 L229	Y43-I87 VanDerWaalsContact CE1-O 3.29Å; Y43-I87 WeakPolarHBondContact CE1-O 3.43Å; Y43-I87 PolarHBondContact OH-N 3.08Å; I85-I87 HydrophobicContact CG2-CG2 4.07Å; I87-R225 VanDerWaalsContact CD1-NH1 3.34Å; I87-L229 HydrophobicContact CD1-CD1 3.68Å; I87-L229 HydrophobicContact CD1-CD2 4.21Å; I87-L229 HydrophobicContact CG1-CD1 3.9Å; I87-L229 HydrophobicContact CG1-CD2 3.84Å; I87-L229 HydrophobicContact CG1-CG 4.43Å
88	N	98.9	Very high	98.2	Very high	3 Å²	3	56.7 Å²	56.7	2%	0.016	32%	0.324	C	S	.	.	S	Bend	trans	-109.5	6.5	-178.7	-173.3	-121.8	0	0	0	113.8	A47 D48 H51 V95 L229 G230 M238	A47-N88 HydrophobicContact CB-CB 4.19Å; D48-N88 PolarHBondContact N-ND2 3.31Å; D48-N88 PolarHBondContact OD1-ND2 2.91Å; H51-N88 HydrophobicContact CB-CB 3.85Å; H51-N88 PolarHBondContact ND1-OD1 2.92Å; N88-V95 HydrophobicContact CB-CG1 4.48Å; N88-V95 HydrophobicContact CB-CG2 4.28Å; N88-L229 WeakPolarHBondContact CA-O 3.32Å; N88-L229 PolarHBondContact ND2-O 2.82Å; N88-G230 WeakPolarHBondContact ND2-CA 3.25Å; N88-M238 WeakPolarHBondContact OD1-CE 3.35Å
89	R	98.6	Very high	98.2	Very high	22 Å²	22	47.6 Å²	47.6	8%	0.083	28%	0.282	C	S	.	.	S	Bend	trans	-154.5	159.9	175.9	67.6	-178.9	-68.1	135.9	4.1	111.1	N91 G92 Y220 E239 L296 P297	R89-N91 PolarHBondContact O-N 3.21Å; R89-G92 PolarHBondContact O-N 2.84Å; R89-Y220 HydrophobicContact CB-CD2 4.19Å; R89-Y220 HydrophobicContact CB-CE2 4.02Å; R89-E239 IonicContact CZ-OE1 3.61Å; R89-E239 IonicContact CZ-OE2 3.65Å; R89-E239 IonicContact NH1-OE1 3.46Å; R89-E239 PolarHBondContact NH1-OE1 2.88Å; R89-E239 IonicContact NH1-OE2 3.9Å; R89-E239 PolarHBondContact NH1-OE2 2.77Å; R89-E239 IonicContact NH2-OE2 3.77Å; R89-L296 VanDerWaalsContact NH1-CD1 3.34Å; R89-P297 PolarHBondContact NH2-O 3.22Å
90	P	98.4	Very high	98.3	Very high	35 Å²	35	43.8 Å²	43.8	23%	0.227	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	128.6	178.3	-26.5	38.6	0	0	0	111.5	G92 Y220 V299	P90-G92 PolarHBondContact O-N 3.19Å; P90-G92 VanDerWaalsContact O-N 3.12Å; P90-Y220 HydrophobicContact CG-CD1 3.99Å; P90-Y220 HydrophobicContact CG-CG 4Å; P90-V299 HydrophobicContact CB-CG1 4.37Å; P90-V299 HydrophobicContact CG-CG1 3.73Å
91	N	94	Very high	98.3	Very high	164 Å²	164	48.2 Å²	48.2	88%	0.877	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	27.1	-174.4	-55.3	-52.2	0	0	0	114	R89	R89-N91 PolarHBondContact O-N 3.21Å
92	G	96.4	Very high	98.3	Very high	20 Å²	20	46.1 Å²	46.1	21%	0.206	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-69.1	165.7	176.7	0	0	0	0	0	113.2	R89 P90	R89-G92 PolarHBondContact O-N 2.84Å; P90-G92 PolarHBondContact O-N 3.19Å; P90-G92 VanDerWaalsContact O-N 3.12Å
93	T	97.8	Very high	98.3	Very high	108 Å²	108	44.9 Å²	44.9	66%	0.663	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-68.8	160	168.7	52.1	0	0	0	0	110.9	V95	T93-V95 PolarHBondContact O-N 3.07Å
94	D	98.7	Very high	98.3	Very high	46 Å²	46	42.5 Å²	42.5	25%	0.246	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-61.8	128.8	169	-178.5	27.9	0	0	0	110	I85 V86 Y96 Q97	I85-D94 HydrophobicContact CG2-CB 3.99Å; V86-D94 PolarHBondContact N-OD1 2.75Å; V86-D94 CarbonylContact O-C 3.6Å; V86-D94 WeakPolarHBondContact O-CA 3.34Å; D94-Y96 WeakPolarHBondContact OD1-CB 3.42Å; D94-Y96 PolarHBondContact OD1-N 3.19Å; D94-Q97 WeakPolarHBondContact OD2-CB 3.26Å; D94-Q97 PolarHBondContact OD2-N 2.77Å
95	V	98.8	Very high	98.4	Very high	6 Å²	6	42.7 Å²	42.7	4%	0.036	25%	0.246	C	C	.	.	S	Bend	trans	-105.7	-7.4	176.1	-63.6	0	0	0	0	112.4	C50 H51 Q54 V86 N88 T93 V99	C50-V95 HydrophobicContact CB-CB 4.06Å; C50-V95 HydrophobicContact CB-CG2 3.67Å; C50-V95 WeakPolarHBondContact CB-O 3.39Å; H51-V95 HydrophobicContact CB-CB 4.3Å; H51-V95 HydrophobicContact CB-CG1 4.01Å; Q54-V95 HydrophobicContact CG-CB 4.06Å; Q54-V95 HydrophobicContact CG-CG1 4.35Å; Q54-V95 PolarHBondContact NE2-O 3.29Å; V86-V95 HydrophobicContact CB-CG2 4.29Å; V86-V95 HydrophobicContact CG1-CG2 4.15Å; V86-V95 VanDerWaalsContact O-CG2 3.31Å; V86-V95 WeakPolarHBondContact O-CG2 3.39Å; V86-V95 PolarHBondContact O-N 3.03Å; N88-V95 HydrophobicContact CB-CG1 4.48Å; N88-V95 HydrophobicContact CB-CG2 4.28Å; T93-V95 PolarHBondContact O-N 3.07Å; V95-V99 VanDerWaalsContact O-CG2 3.27Å; V95-V99 WeakPolarHBondContact O-CG2 3.29Å
96	Y	98.9	Very high	98.3	Very high	19 Å²	19	44.8 Å²	44.8	8%	0.075	25%	0.254	C	S	.	.			trans	-81	-33.3	-176.9	-172.1	-115	0	0	0	113.7	M70 D72 A75 Y76 G84 V86 D94 G98 V99 K101	M70-Y96 HydrophobicContact CE-CD2 4.46Å; M70-Y96 HydrophobicContact CE-CE2 3.84Å; D72-Y96 VanDerWaalsContact OD1-CE2 3.25Å; D72-Y96 WeakPolarHBondContact OD1-CE2 3.48Å; D72-Y96 VanDerWaalsContact OD1-CZ 3.29Å; D72-Y96 PolarHBondContact OD1-OH 3Å; D72-Y96 PolarHBondContact OD2-OH 3.44Å; A75-Y96 HydrophobicContact CB-CD1 3.62Å; A75-Y96 HydrophobicContact CB-CD2 3.92Å; A75-Y96 HydrophobicContact CB-CE1 3.32Å; A75-Y96 HydrophobicContact CB-CE2 3.64Å; A75-Y96 HydrophobicContact CB-CG 3.9Å; Y76-Y96 HydrophobicContact CE2-CE1 4.09Å; G84-Y96 WeakPolarHBondContact O-CD1 3.24Å; V86-Y96 HydrophobicContact CG2-CD2 3.9Å; V86-Y96 HydrophobicContact CG2-CG 3.94Å; D94-Y96 WeakPolarHBondContact OD1-CB 3.42Å; D94-Y96 PolarHBondContact OD1-N 3.19Å; Y96-G98 PolarHBondContact O-N 3.19Å; Y96-V99 WeakPolarHBondContact O-CB 3.48Å; Y96-V99 WeakPolarHBondContact O-CG2 3.43Å; Y96-V99 PolarHBondContact O-N 3.4Å; Y96-K101 VanDerWaalsContact OH-CE 3.26Å; Y96-K101 WeakPolarHBondContact OH-CE 3.08Å; Y96-K101 PolarHBondContact OH-NZ 3.41Å
97	Q	98.4	Very high	98.3	Very high	148 Å²	148	47.1 Å²	47.1	69%	0.692	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	124.7	-174.3	-173.8	175.2	12.9	0	0	112.1	Q54 D94 V99	Q54-Q97 PolarHBondContact NE2-O 3.49Å; D94-Q97 WeakPolarHBondContact OD2-CB 3.26Å; D94-Q97 PolarHBondContact OD2-N 2.77Å; Q97-V99 VanDerWaalsContact C-N 3.29Å; Q97-V99 PolarHBondContact O-N 3.14Å
98	G	98.4	Very high	98.3	Very high	53 Å²	53	47 Å²	47	55%	0.546	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	-6.9	175.1	0	0	0	0	0	115.3	Y53 Y96 P100	Y53-G98 PolarHBondContact OH-O 3.1Å; Y96-G98 PolarHBondContact O-N 3.19Å; G98-P100 WeakPolarHBondContact O-CD 3.23Å
99	V	98.8	Very high	98.3	Very high	10 Å²	10	47.8 Å²	47.8	6%	0.061	27%	0.271	C	S	.	.			trans	-59.3	124.2	179.6	-179.5	0	0	0	0	110.2	C50 Y53 V68 M70 V95 Y96 Q97	C50-V99 HydrophobicContact CB-CG2 4.05Å; Y53-V99 HydrophobicContact CD1-CB 4.08Å; Y53-V99 HydrophobicContact CD1-CG1 4.48Å; Y53-V99 HydrophobicContact CD1-CG2 3.52Å; Y53-V99 HydrophobicContact CE1-CG2 4.22Å; Y53-V99 HydrophobicContact CG-CB 4.41Å; Y53-V99 HydrophobicContact CG-CG1 4.31Å; Y53-V99 HydrophobicContact CG-CG2 4.06Å; V68-V99 HydrophobicContact CG1-CG1 3.91Å; V68-V99 HydrophobicContact CG2-CG1 4.33Å; M70-V99 HydrophobicContact CE-CB 4.27Å; M70-V99 HydrophobicContact CE-CG1 3.7Å; M70-V99 HydrophobicContact SD-CG1 4.05Å; V95-V99 VanDerWaalsContact O-CG2 3.27Å; V95-V99 WeakPolarHBondContact O-CG2 3.29Å; Y96-V99 WeakPolarHBondContact O-CB 3.48Å; Y96-V99 WeakPolarHBondContact O-CG2 3.43Å; Y96-V99 PolarHBondContact O-N 3.4Å; Q97-V99 VanDerWaalsContact C-N 3.29Å; Q97-V99 PolarHBondContact O-N 3.14Å
100	P	98.8	Very high	98.4	Very high	17 Å²	17	47 Å²	47	11%	0.11	27%	0.269	C	S	.	.			trans	-57.7	145.7	174.7	-27.2	34.6	0	0	0	111.6	Y53 D63 V68 G98 D102	Y53-P100 VanDerWaalsContact CD2-CD 3.42Å; Y53-P100 HydrophobicContact CD2-CG 4.17Å; Y53-P100 HydrophobicContact CE2-CG 3.63Å; Y53-P100 VanDerWaalsContact CZ-CD 3.42Å; D63-P100 HydrophobicContact CB-CG 4.42Å; V68-P100 HydrophobicContact CB-CB 4.42Å; V68-P100 WeakPolarHBondContact CB-O 3.43Å; V68-P100 HydrophobicContact CG2-CB 4.21Å; V68-P100 HydrophobicContact CG2-CG 4.32Å; G98-P100 WeakPolarHBondContact O-CD 3.23Å; P100-D102 WeakPolarHBondContact CB-OD2 3.34Å
101	K	98.8	Very high	98.4	Very high	98 Å²	98	50 Å²	50	43%	0.426	28%	0.28	S	S	.	.			trans	-112.9	56.2	178.5	-62.5	-174.6	179.2	-157	0	109.3	M70 D72 Y96 T104	M70-K101 HydrophobicContact CE-CG 4.31Å; D72-K101 IonicContact OD1-NZ 2.67Å; D72-K101 WeakPolarHBondContact OD2-CD 3.38Å; D72-K101 WeakPolarHBondContact OD2-CE 3.22Å; D72-K101 IonicContact OD2-NZ 3.15Å; D72-K101 PolarHBondContact OD2-NZ 2.93Å; Y96-K101 VanDerWaalsContact OH-CE 3.26Å; Y96-K101 WeakPolarHBondContact OH-CE 3.08Å; Y96-K101 PolarHBondContact OH-NZ 3.41Å; K101-T104 HydrophobicContact CB-CG2 3.7Å; K101-T104 HydrophobicContact CG-CG2 4.26Å
102	D	98.9	Very high	98.6	Very high	9 Å²	9	43.1 Å²	43.1	5%	0.048	24%	0.243	C	C	.	.	S	Bend	trans	-68.6	-38.6	-170.5	-66.3	-58.4	0	0	0	111.8	I67 V68 P100 G128 S129 K131	I67-D102 WeakPolarHBondContact CA-OD2 3.44Å; I67-D102 HydrophobicContact CG2-CB 4.07Å; V68-D102 PolarHBondContact N-OD2 3.45Å; V68-D102 WeakPolarHBondContact O-CB 3.42Å; V68-D102 PolarHBondContact O-N 2.97Å; P100-D102 WeakPolarHBondContact CB-OD2 3.34Å; D102-G128 CarbonylContact O-C 3.52Å; D102-G128 VanDerWaalsContact O-CA 3.29Å; D102-G128 WeakPolarHBondContact O-CA 3.45Å; D102-S129 WeakPolarHBondContact CA-OG 3.35Å; D102-S129 VanDerWaalsContact CB-OG 3.32Å; D102-S129 WeakPolarHBondContact CB-OG 3.23Å; D102-S129 PolarHBondContact O-N 3.18Å; D102-S129 PolarHBondContact O-OG 2.83Å; D102-S129 PolarHBondContact OD1-OG 3.19Å; D102-K131 VanDerWaalsContact CG-NZ 3.3Å; D102-K131 WeakPolarHBondContact OD1-CE 3.4Å; D102-K131 IonicContact OD1-NZ 3.55Å; D102-K131 PolarHBondContact OD1-NZ 2.86Å; D102-K131 IonicContact OD2-NZ 2.95Å; D102-K131 PolarHBondContact OD2-NZ 2.76Å; D102-K131 VanDerWaalsContact OD2-NZ 3.08Å
103	Y	98.9	Very high	98.7	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-139	122.5	171.1	-59.5	-93	0	0	0	108.3	I67 V68 M69 M70 D107 V108 N112 V116 V124 V127 K131	I67-Y103 HydrophobicContact CG2-CD2 3.99Å; I67-Y103 HydrophobicContact CG2-CE2 3.78Å; V68-Y103 PolarHBondContact O-N 3.06Å; V68-Y103 VanDerWaalsContact O-N 3.14Å; M69-Y103 WeakPolarHBondContact CA-O 3.35Å; M69-Y103 HydrophobicContact CE-CD1 4.49Å; M69-Y103 HydrophobicContact CE-CD2 4.34Å; M69-Y103 HydrophobicContact CE-CG 3.98Å; M69-Y103 HydrophobicContact CG-CD2 3.81Å; M69-Y103 HydrophobicContact CG-CG 4.16Å; M69-Y103 HydrophobicContact SD-CD2 4.36Å; M70-Y103 PolarHBondContact N-O 3.29Å; M70-Y103 VanDerWaalsContact N-O 3.12Å; Y103-D107 HydrophobicContact CD1-CB 4.24Å; Y103-V108 WeakPolarHBondContact O-CG2 3.14Å; Y103-N112 HydrophobicContact CD1-CB 4.23Å; Y103-N112 HydrophobicContact CE1-CB 4.3Å; Y103-V116 HydrophobicContact CD2-CG2 4.35Å; Y103-V116 HydrophobicContact CE2-CG2 3.48Å; Y103-V116 VanDerWaalsContact CE2-CG2 3.48Å; Y103-V124 HydrophobicContact CE1-CB 4.17Å; Y103-V124 HydrophobicContact CE1-CG1 4.19Å; Y103-V124 WeakPolarHBondContact OH-CG2 3.44Å; Y103-V127 HydrophobicContact CD1-CG1 4.21Å; Y103-V127 HydrophobicContact CE1-CG1 4.21Å; Y103-K131 WeakPolarHBondContact CE2-O 3.5Å; Y103-K131 PolarHBondContact OH-O 3.33Å
104	T	98.9	Very high	98.8	Very high	42 Å²	42	37.9 Å²	37.9	26%	0.258	21%	0.206	S	C	.	.			trans	-136.6	162.8	-176.9	61.6	0	0	0	0	111.6	M70 D72 K101 E106 D107	M70-T104 VanDerWaalsContact O-CA 3.24Å; M70-T104 WeakPolarHBondContact O-CA 3.3Å; M70-T104 WeakPolarHBondContact O-CG2 3.32Å; D72-T104 HydrophobicContact CB-CG2 3.8Å; K101-T104 HydrophobicContact CB-CG2 3.7Å; K101-T104 HydrophobicContact CG-CG2 4.26Å; T104-E106 PolarHBondContact O-N 3Å; T104-D107 WeakPolarHBondContact O-CB 3.45Å; T104-D107 PolarHBondContact O-N 3.19Å; T104-D107 VanDerWaalsContact O-N 3.08Å
105	G	98.7	Very high	98.8	Very high	18 Å²	18	35.8 Å²	35.8	19%	0.186	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	52.5	-130.8	-175.7	0	0	0	0	0	112.4	Y71 D107 V108	Y71-G105 VanDerWaalsContact CD2-C 3.49Å; Y71-G105 WeakPolarHBondContact CD2-O 3.34Å; Y71-G105 WeakPolarHBondContact CE2-O 3.32Å; Y71-G105 PolarHBondContact O-N 2.94Å; G105-D107 PolarHBondContact O-N 2.72Å; G105-D107 VanDerWaalsContact O-N 3.12Å; G105-V108 PolarHBondContact O-N 2.93Å; G105-V108 VanDerWaalsContact O-N 3.15Å
106	E	98.6	Very high	98.8	Very high	111 Å²	111	35.5 Å²	35.5	52%	0.519	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-66	-10.8	-179	-59.4	-54.9	133.4	0	0	114.4	Y71 T104 V108 T109 N158	Y71-E106 PolarHBondContact OH-OE1 3.47Å; T104-E106 PolarHBondContact O-N 3Å; E106-V108 PolarHBondContact O-N 3.41Å; E106-T109 WeakPolarHBondContact O-CG2 3.48Å; E106-N158 VanDerWaalsContact CD-ND2 3.31Å; E106-N158 PolarHBondContact OE1-ND2 2.9Å; E106-N158 VanDerWaalsContact OE1-ND2 3.16Å; E106-N158 PolarHBondContact OE2-ND2 3.36Å
107	D	98.8	Very high	98.8	Very high	52 Å²	52	34.6 Å²	34.6	28%	0.278	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-79.4	-8.5	175.6	-65	-21	0	0	0	112.4	Y103 T104 G105 T109 N112 V127 G128	Y103-D107 HydrophobicContact CD1-CB 4.24Å; T104-D107 WeakPolarHBondContact O-CB 3.45Å; T104-D107 PolarHBondContact O-N 3.19Å; T104-D107 VanDerWaalsContact O-N 3.08Å; G105-D107 PolarHBondContact O-N 2.72Å; G105-D107 VanDerWaalsContact O-N 3.12Å; D107-T109 VanDerWaalsContact C-N 3.35Å; D107-T109 PolarHBondContact O-N 3.18Å; D107-N112 PolarHBondContact O-ND2 3.37Å; D107-V127 HydrophobicContact CB-CG1 3.83Å; D107-V127 WeakPolarHBondContact OD1-CG1 3.4Å; D107-G128 WeakPolarHBondContact OD2-CA 3.41Å; D107-G128 PolarHBondContact OD2-N 3.38Å
108	V	98.9	Very high	98.8	Very high	5 Å²	5	30.7 Å²	30.7	3%	0.03	17%	0.169	C	C	.	.			trans	-81.1	82.7	174.9	-173.6	0	0	0	0	109	M69 Y103 G105 E106 F156 P157	M69-V108 HydrophobicContact CB-CG1 4.3Å; Y103-V108 WeakPolarHBondContact O-CG2 3.14Å; G105-V108 PolarHBondContact O-N 2.93Å; G105-V108 VanDerWaalsContact O-N 3.15Å; E106-V108 PolarHBondContact O-N 3.41Å; V108-F156 HydrophobicContact CG1-CD1 4.03Å; V108-F156 HydrophobicContact CG1-CE1 4.34Å; V108-P157 HydrophobicContact CB-CG 4.13Å; V108-P157 HydrophobicContact CG1-CG 3.99Å; V108-P157 WeakPolarHBondContact O-CD 3.18Å
109	T	98.9	Very high	98.8	Very high	21 Å²	21	29.4 Å²	29.4	13%	0.129	16%	0.155	C	C	.	.			trans	-126.5	155.3	-177.1	71.2	0	0	0	0	112.4	E106 D107 Q111 N112 F113 F156	E106-T109 WeakPolarHBondContact O-CG2 3.48Å; D107-T109 VanDerWaalsContact C-N 3.35Å; D107-T109 PolarHBondContact O-N 3.18Å; T109-Q111 PolarHBondContact O-N 3.37Å; T109-Q111 PolarHBondContact OG1-OE1 2.73Å; T109-N112 PolarHBondContact O-N 2.83Å; T109-N112 WeakPolarHBondContact OG1-CB 3.47Å; T109-N112 VanDerWaalsContact OG1-CG 3.24Å; T109-N112 PolarHBondContact OG1-N 3.14Å; T109-N112 VanDerWaalsContact OG1-N 3.12Å; T109-N112 PolarHBondContact OG1-ND2 2.88Å; T109-F113 WeakPolarHBondContact O-CB 3.18Å; T109-F113 PolarHBondContact O-N 2.82Å; T109-F156 VanDerWaalsContact C-CE1 3.46Å; T109-F156 WeakPolarHBondContact O-CE1 3.37Å
110	P	98.8	Very high	98.8	Very high	5 Å²	5	32 Å²	32	3%	0.032	17%	0.169	C	C	.	.	H	α-helix	trans	-55.1	-39.8	171.8	-25.9	34.9	0	0	0	112.2	F113 L114 F156 E159 L161	P110-F113 PolarHBondContact O-N 3.27Å; P110-L114 WeakPolarHBondContact O-CB 3.44Å; P110-L114 WeakPolarHBondContact O-CG 3.4Å; P110-L114 PolarHBondContact O-N 3.14Å; P110-F156 HydrophobicContact CB-CD2 4.48Å; P110-F156 HydrophobicContact CG-CB 3.98Å; P110-F156 HydrophobicContact CG-CD1 4.29Å; P110-F156 HydrophobicContact CG-CD2 3.78Å; P110-F156 HydrophobicContact CG-CE2 4.34Å; P110-F156 HydrophobicContact CG-CG 3.76Å; P110-E159 HydrophobicContact CG-CB 3.81Å; P110-L161 HydrophobicContact CB-CB 4.05Å; P110-L161 HydrophobicContact CB-CD1 4.26Å; P110-L161 HydrophobicContact CG-CB 4.25Å
111	Q	98.8	Very high	98.8	Very high	99 Å²	99	33.6 Å²	33.6	46%	0.463	18%	0.183	S	C	.	.	H	α-helix	trans	-63.6	-46.3	-178.2	-63	77.5	4	0	0	110.9	T109 L114 A115 E159	T109-Q111 PolarHBondContact O-N 3.37Å; T109-Q111 PolarHBondContact OG1-OE1 2.73Å; Q111-L114 PolarHBondContact O-N 3.43Å; Q111-A115 VanDerWaalsContact O-CB 3.31Å; Q111-A115 WeakPolarHBondContact O-CB 3.49Å; Q111-A115 PolarHBondContact O-N 3.49Å; Q111-E159 PolarHBondContact NE2-OE2 3.12Å; Q111-E159 PolarHBondContact OE1-OE2 3.08Å
112	N	98.9	Very high	98.8	Very high	19 Å²	19	35 Å²	35	10%	0.102	19%	0.192	C	C	.	.	H	α-helix	trans	-66.3	-43.9	177.5	-68.7	-21.2	0	0	0	110.9	M69 Y103 D107 T109 L114 A115 V116 V124 V127	M69-N112 HydrophobicContact CE-CB 3.97Å; Y103-N112 HydrophobicContact CD1-CB 4.23Å; Y103-N112 HydrophobicContact CE1-CB 4.3Å; D107-N112 PolarHBondContact O-ND2 3.37Å; T109-N112 PolarHBondContact O-N 2.83Å; T109-N112 WeakPolarHBondContact OG1-CB 3.47Å; T109-N112 VanDerWaalsContact OG1-CG 3.24Å; T109-N112 PolarHBondContact OG1-N 3.14Å; T109-N112 VanDerWaalsContact OG1-N 3.12Å; T109-N112 PolarHBondContact OG1-ND2 2.88Å; N112-L114 PolarHBondContact O-N 3.07Å; N112-A115 PolarHBondContact O-N 3.31Å; N112-V116 VanDerWaalsContact O-CG2 3.29Å; N112-V116 WeakPolarHBondContact O-CG2 3.36Å; N112-V116 PolarHBondContact O-N 2.82Å; N112-V124 HydrophobicContact CB-CG1 4.33Å; N112-V127 VanDerWaalsContact ND2-CG1 3.32Å; N112-V127 WeakPolarHBondContact ND2-CG1 3.5Å
113	F	98.9	Very high	98.8	Very high	3 Å²	3	37.2 Å²	37.2	1%	0.013	21%	0.211	C	C	.	.	H	α-helix	trans	-58	-48.4	176.2	169.8	-117.2	0	0	0	112.1	V32 V34 M69 T109 P110 A115 V116 L117 V143 F156 L161 L166	V32-F113 HydrophobicContact CG1-CD2 4.18Å; V32-F113 HydrophobicContact CG1-CE2 3.95Å; V34-F113 HydrophobicContact CG2-CD2 3.6Å; V34-F113 HydrophobicContact CG2-CE2 3.69Å; V34-F113 HydrophobicContact CG2-CG 4.48Å; M69-F113 HydrophobicContact CE-CB 4.07Å; M69-F113 HydrophobicContact SD-CB 3.78Å; M69-F113 HydrophobicContact SD-CD2 4.06Å; M69-F113 HydrophobicContact SD-CG 4.42Å; T109-F113 WeakPolarHBondContact O-CB 3.18Å; T109-F113 PolarHBondContact O-N 2.82Å; P110-F113 PolarHBondContact O-N 3.27Å; F113-A115 VanDerWaalsContact C-N 3.32Å; F113-A115 PolarHBondContact O-N 2.91Å; F113-V116 WeakPolarHBondContact O-CB 3.4Å; F113-V116 PolarHBondContact O-N 3.25Å; F113-L117 HydrophobicContact CD1-CD1 4.47Å; F113-L117 HydrophobicContact CD2-CG 4.41Å; F113-L117 HydrophobicContact CE1-CD1 3.83Å; F113-L117 HydrophobicContact CE2-CD1 3.96Å; F113-L117 HydrophobicContact CE2-CD2 4.22Å; F113-L117 HydrophobicContact CE2-CG 4Å; F113-L117 HydrophobicContact CZ-CD1 3.56Å; F113-L117 HydrophobicContact CZ-CG 4.13Å; F113-L117 WeakPolarHBondContact O-CG 3.48Å; F113-L117 PolarHBondContact O-N 2.92Å; F113-V143 HydrophobicContact CE2-CG1 4.1Å; F113-V143 HydrophobicContact CZ-CG1 4.09Å; F113-F156 HydrophobicContact CB-CE1 3.86Å; F113-F156 HydrophobicContact CB-CZ 3.67Å; F113-F156 HydrophobicContact CD1-CE2 4.49Å; F113-F156 AromaticContact CD1-CZ 3.86Å; F113-F156 HydrophobicContact CD1-CZ 3.86Å; F113-F156 HydrophobicContact CG-CE1 4.46Å; F113-F156 AromaticContact CG-CZ 3.83Å; F113-F156 HydrophobicContact CG-CZ 3.83Å; F113-L161 HydrophobicContact CD1-CD2 3.76Å; F113-L161 HydrophobicContact CE1-CD2 3.6Å; F113-L166 HydrophobicContact CE1-CD1 4.12Å
114	L	98.9	Very high	98.8	Very high	15 Å²	15	37.2 Å²	37.2	8%	0.079	21%	0.211	C	C	.	.	H	α-helix	trans	-68.1	-32.8	178.7	-61.9	178	0	0	0	111.9	P110 Q111 N112 L117 R118 L161 D165 L166 T169	P110-L114 WeakPolarHBondContact O-CB 3.44Å; P110-L114 WeakPolarHBondContact O-CG 3.4Å; P110-L114 PolarHBondContact O-N 3.14Å; Q111-L114 PolarHBondContact O-N 3.43Å; N112-L114 PolarHBondContact O-N 3.07Å; L114-L117 HydrophobicContact CD2-CD1 4.46Å; L114-L117 PolarHBondContact O-N 3.43Å; L114-R118 VanDerWaalsContact CB-NH1 3.34Å; L114-R118 WeakPolarHBondContact O-CG 3.15Å; L114-R118 PolarHBondContact O-N 2.95Å; L114-R118 PolarHBondContact O-NH1 3.36Å; L114-L161 HydrophobicContact CD1-CD1 3.77Å; L114-L161 HydrophobicContact CD2-CD1 3.85Å; L114-L161 HydrophobicContact CG-CD1 3.96Å; L114-D165 HydrophobicContact CD1-CB 3.74Å; L114-L166 HydrophobicContact CD2-CD1 4.26Å; L114-T169 HydrophobicContact CB-CG2 4.44Å; L114-T169 HydrophobicContact CD2-CG2 4.02Å
115	A	98.9	Very high	98.7	Very high	1 Å²	1	41.7 Å²	41.7	1%	0.008	23%	0.227	C	C	.	.	H	α-helix	trans	-66.7	-40.9	172.7	0	0	0	0	0	112.3	Q111 N112 F113 L117 R118 G119 D120 A123 V124	Q111-A115 VanDerWaalsContact O-CB 3.31Å; Q111-A115 WeakPolarHBondContact O-CB 3.49Å; Q111-A115 PolarHBondContact O-N 3.49Å; N112-A115 PolarHBondContact O-N 3.31Å; F113-A115 VanDerWaalsContact C-N 3.32Å; F113-A115 PolarHBondContact O-N 2.91Å; A115-L117 VanDerWaalsContact C-N 3.33Å; A115-L117 PolarHBondContact O-N 2.96Å; A115-R118 CarbonylContact O-C 3.58Å; A115-R118 PolarHBondContact O-N 2.85Å; A115-G119 PolarHBondContact O-N 3.07Å; A115-D120 HydrophobicContact CB-CB 4.3Å; A115-D120 PolarHBondContact O-N 2.73Å; A115-A123 HydrophobicContact CB-CB 3.94Å; A115-V124 HydrophobicContact CB-CG1 3.69Å
116	V	98.9	Very high	98.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-55.7	-49.3	171.7	165	0	0	0	0	110.4	V32 I67 Y103 N112 F113 R118 G119 V132 L133	V32-V116 HydrophobicContact CG1-CG1 4.18Å; V32-V116 HydrophobicContact CG2-CG1 4.04Å; I67-V116 HydrophobicContact CB-CG1 4.17Å; I67-V116 HydrophobicContact CG1-CG1 4.1Å; I67-V116 HydrophobicContact CG2-CG1 3.9Å; I67-V116 HydrophobicContact CG2-CG2 4.24Å; Y103-V116 HydrophobicContact CD2-CG2 4.35Å; Y103-V116 HydrophobicContact CE2-CG2 3.48Å; Y103-V116 VanDerWaalsContact CE2-CG2 3.48Å; N112-V116 VanDerWaalsContact O-CG2 3.29Å; N112-V116 WeakPolarHBondContact O-CG2 3.36Å; N112-V116 PolarHBondContact O-N 2.82Å; F113-V116 WeakPolarHBondContact O-CB 3.4Å; F113-V116 PolarHBondContact O-N 3.25Å; V116-R118 VanDerWaalsContact C-N 3.33Å; V116-R118 PolarHBondContact O-N 3.41Å; V116-G119 PolarHBondContact O-N 3.48Å; V116-G119 VanDerWaalsContact O-N 3.13Å; V116-V132 HydrophobicContact CG2-CG1 4.23Å; V116-L133 WeakPolarHBondContact O-CB 3.47Å; V116-L133 PolarHBondContact O-N 2.75Å
117	L	98.9	Very high	98.7	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-61.8	-39.8	178.4	-71.4	-174	0	0	0	112.6	V32 F113 L114 A115 G119 L133 V143 L166 T169 M173 M178	V32-L117 HydrophobicContact CG2-CD2 4.16Å; F113-L117 HydrophobicContact CD1-CD1 4.47Å; F113-L117 HydrophobicContact CD2-CG 4.41Å; F113-L117 HydrophobicContact CE1-CD1 3.83Å; F113-L117 HydrophobicContact CE2-CD1 3.96Å; F113-L117 HydrophobicContact CE2-CD2 4.22Å; F113-L117 HydrophobicContact CE2-CG 4Å; F113-L117 HydrophobicContact CZ-CD1 3.56Å; F113-L117 HydrophobicContact CZ-CG 4.13Å; F113-L117 WeakPolarHBondContact O-CG 3.48Å; F113-L117 PolarHBondContact O-N 2.92Å; L114-L117 HydrophobicContact CD2-CD1 4.46Å; L114-L117 PolarHBondContact O-N 3.43Å; A115-L117 VanDerWaalsContact C-N 3.33Å; A115-L117 PolarHBondContact O-N 2.96Å; L117-G119 PolarHBondContact O-N 3.38Å; L117-L133 HydrophobicContact CD2-CD1 4.04Å; L117-V143 HydrophobicContact CD2-CG2 3.96Å; L117-L166 HydrophobicContact CD1-CD1 4.13Å; L117-T169 HydrophobicContact CB-CG2 3.68Å; L117-T169 HydrophobicContact CD1-CG2 4.03Å; L117-M173 HydrophobicContact CB-SD 3.77Å; L117-M173 HydrophobicContact CD2-CE 4.48Å; L117-M173 HydrophobicContact CD2-SD 4.35Å; L117-M173 HydrophobicContact CG-SD 4.45Å; L117-M173 WeakPolarHBondContact O-CE 3.28Å; L117-M173 WeakPolarHBondContact O-CG 3.19Å; L117-M178 WeakPolarHBondContact O-CE 3.49Å
118	R	98.9	Very high	98.6	Very high	67 Å²	67	40.6 Å²	40.6	25%	0.253	25%	0.251	S	S	.	.	H	α-helix	trans	-76.3	-6.1	176.9	-68.2	-170.3	-61.2	-88.4	-4.5	114.3	L114 A115 V116 D120 T169 Y172 M178	L114-R118 VanDerWaalsContact CB-NH1 3.34Å; L114-R118 WeakPolarHBondContact O-CG 3.15Å; L114-R118 PolarHBondContact O-N 2.95Å; L114-R118 PolarHBondContact O-NH1 3.36Å; A115-R118 CarbonylContact O-C 3.58Å; A115-R118 PolarHBondContact O-N 2.85Å; V116-R118 VanDerWaalsContact C-N 3.33Å; V116-R118 PolarHBondContact O-N 3.41Å; R118-D120 HydrophobicContact CB-CB 4.37Å; R118-D120 PolarHBondContact O-N 2.82Å; R118-T169 HydrophobicContact CG-CG2 3.83Å; R118-T169 PolarHBondContact NH1-OG1 3.27Å; R118-Y172 HydrophobicContact CB-CD1 4.02Å; R118-Y172 HydrophobicContact CB-CE1 3.84Å; R118-Y172 HydrophobicContact CG-CD1 3.6Å; R118-Y172 HydrophobicContact CG-CE1 3.92Å; R118-Y172 HydrophobicContact CG-CG 4.11Å; R118-M178 WeakPolarHBondContact O-CE 3.42Å
119	G	98.8	Very high	98.6	Very high	26 Å²	26	43.3 Å²	43.3	27%	0.268	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	25	-174.5	0	0	0	0	0	113.1	A115 V116 L117 A121 L133	A115-G119 PolarHBondContact O-N 3.07Å; V116-G119 PolarHBondContact O-N 3.48Å; V116-G119 VanDerWaalsContact O-N 3.13Å; L117-G119 PolarHBondContact O-N 3.38Å; G119-A121 PolarHBondContact O-N 3.22Å; G119-A121 VanDerWaalsContact O-N 3.14Å; G119-L133 WeakPolarHBondContact CA-O 3.38Å
120	D	98.8	Very high	98.6	Very high	65 Å²	65	43.5 Å²	43.5	35%	0.348	28%	0.276	S	S	.	.			trans	-87.8	79.7	-174.1	-168.5	-13.2	0	0	0	111	A115 R118 E122 A123	A115-D120 HydrophobicContact CB-CB 4.3Å; A115-D120 PolarHBondContact O-N 2.73Å; R118-D120 HydrophobicContact CB-CB 4.37Å; R118-D120 PolarHBondContact O-N 2.82Å; D120-E122 PolarHBondContact O-N 3.27Å; D120-E122 PolarHBondContact OD1-N 3.24Å; D120-A123 HydrophobicContact CB-CB 4.09Å; D120-A123 VanDerWaalsContact CG-CB 3.45Å; D120-A123 PolarHBondContact O-N 2.89Å; D120-A123 PolarHBondContact OD1-N 3.07Å; D120-A123 VanDerWaalsContact OD1-N 3.13Å
121	A	98.4	Very high	98.6	Very high	50 Å²	50	45.5 Å²	45.5	41%	0.413	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-23.9	-178.1	0	0	0	0	0	113.6	G119 K125 V132	G119-A121 PolarHBondContact O-N 3.22Å; G119-A121 VanDerWaalsContact O-N 3.14Å; A121-K125 PolarHBondContact O-N 3.22Å; A121-V132 HydrophobicContact CB-CG2 3.91Å
122	E	98.6	Very high	98.6	Very high	128 Å²	128	40.9 Å²	40.9	60%	0.598	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-36.2	178.4	-170.2	66.2	-163.1	0	0	110.6	D120 V124 K125	D120-E122 PolarHBondContact O-N 3.27Å; D120-E122 PolarHBondContact OD1-N 3.24Å; E122-V124 PolarHBondContact O-N 2.97Å; E122-K125 VanDerWaalsContact CD-NZ 3.3Å; E122-K125 VanDerWaalsContact O-CB 3.29Å; E122-K125 WeakPolarHBondContact O-CB 3.36Å; E122-K125 PolarHBondContact O-N 3.49Å; E122-K125 WeakPolarHBondContact OE1-CD 3.3Å; E122-K125 IonicContact OE1-NZ 2.77Å; E122-K125 PolarHBondContact OE1-NZ 2.91Å; E122-K125 WeakPolarHBondContact OE2-CD 3.37Å; E122-K125 IonicContact OE2-NZ 3.08Å; E122-K125 PolarHBondContact OE2-NZ 3.33Å
123	A	98.4	Very high	98.6	Very high	55 Å²	55	40.1 Å²	40.1	46%	0.455	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-25.9	176.2	0	0	0	0	0	113.8	A115 D120	A115-A123 HydrophobicContact CB-CB 3.94Å; D120-A123 HydrophobicContact CB-CB 4.09Å; D120-A123 VanDerWaalsContact CG-CB 3.45Å; D120-A123 PolarHBondContact O-N 2.89Å; D120-A123 PolarHBondContact OD1-N 3.07Å; D120-A123 VanDerWaalsContact OD1-N 3.13Å
124	V	98.4	Very high	98.6	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.1	19.2	179.3	-62.2	0	0	0	0	112.9	Y103 N112 A115 E122 G126 V127 V132	Y103-V124 HydrophobicContact CE1-CB 4.17Å; Y103-V124 HydrophobicContact CE1-CG1 4.19Å; Y103-V124 WeakPolarHBondContact OH-CG2 3.44Å; N112-V124 HydrophobicContact CB-CG1 4.33Å; A115-V124 HydrophobicContact CB-CG1 3.69Å; E122-V124 PolarHBondContact O-N 2.97Å; V124-G126 PolarHBondContact O-N 3.22Å; V124-V127 HydrophobicContact CB-CB 4.48Å; V124-V127 WeakPolarHBondContact O-CB 3.15Å; V124-V127 PolarHBondContact O-N 2.76Å; V124-V127 VanDerWaalsContact O-N 3.08Å; V124-V132 HydrophobicContact CG2-CG1 3.42Å; V124-V132 VanDerWaalsContact CG2-CG1 3.42Å
125	K	97.9	Very high	98.6	Very high	136 Å²	136	47.5 Å²	47.5	59%	0.591	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	121.4	-177.4	-176.1	177.6	-171.2	164.4	0	111.2	A121 E122 V127	A121-K125 PolarHBondContact O-N 3.22Å; E122-K125 VanDerWaalsContact CD-NZ 3.3Å; E122-K125 VanDerWaalsContact O-CB 3.29Å; E122-K125 WeakPolarHBondContact O-CB 3.36Å; E122-K125 PolarHBondContact O-N 3.49Å; E122-K125 WeakPolarHBondContact OE1-CD 3.3Å; E122-K125 IonicContact OE1-NZ 2.77Å; E122-K125 PolarHBondContact OE1-NZ 2.91Å; E122-K125 WeakPolarHBondContact OE2-CD 3.37Å; E122-K125 IonicContact OE2-NZ 3.08Å; E122-K125 PolarHBondContact OE2-NZ 3.33Å; K125-V127 VanDerWaalsContact C-N 3.25Å
126	G	97.6	Very high	98.5	Very high	84 Å²	84	48.4 Å²	48.4	87%	0.866	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.8	10	-176.7	0	0	0	0	0	114	V124	V124-G126 PolarHBondContact O-N 3.22Å
127	V	98.3	Very high	98.5	Very high	34 Å²	34	52.4 Å²	52.4	21%	0.206	33%	0.326	C	S	.	.	S	Bend	trans	-110	124.7	176.6	-179.2	0	0	0	0	108.5	Y103 D107 N112 V124 K125 S129 G130	Y103-V127 HydrophobicContact CD1-CG1 4.21Å; Y103-V127 HydrophobicContact CE1-CG1 4.21Å; D107-V127 HydrophobicContact CB-CG1 3.83Å; D107-V127 WeakPolarHBondContact OD1-CG1 3.4Å; N112-V127 VanDerWaalsContact ND2-CG1 3.32Å; N112-V127 WeakPolarHBondContact ND2-CG1 3.5Å; V124-V127 HydrophobicContact CB-CB 4.48Å; V124-V127 WeakPolarHBondContact O-CB 3.15Å; V124-V127 PolarHBondContact O-N 2.76Å; V124-V127 VanDerWaalsContact O-N 3.08Å; K125-V127 VanDerWaalsContact C-N 3.25Å; V127-S129 PolarHBondContact O-N 2.82Å; V127-G130 PolarHBondContact O-N 3.36Å
128	G	98.2	Very high	98.4	Very high	40 Å²	40	58.2 Å²	58.2	41%	0.412	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	-132.5	-172.4	0	0	0	0	0	113.2	D102 D107	D102-G128 CarbonylContact O-C 3.52Å; D102-G128 VanDerWaalsContact O-CA 3.29Å; D102-G128 WeakPolarHBondContact O-CA 3.45Å; D107-G128 WeakPolarHBondContact OD2-CA 3.41Å; D107-G128 PolarHBondContact OD2-N 3.38Å
129	S	98.4	Very high	98.4	Very high	62 Å²	62	55.8 Å²	55.8	43%	0.434	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-16.5	174.5	66.9	0	0	0	0	114.1	D102 V127 K131	D102-S129 WeakPolarHBondContact CA-OG 3.35Å; D102-S129 VanDerWaalsContact CB-OG 3.32Å; D102-S129 WeakPolarHBondContact CB-OG 3.23Å; D102-S129 PolarHBondContact O-N 3.18Å; D102-S129 PolarHBondContact O-OG 2.83Å; D102-S129 PolarHBondContact OD1-OG 3.19Å; V127-S129 PolarHBondContact O-N 2.82Å; S129-K131 PolarHBondContact O-N 3.41Å; S129-K131 VanDerWaalsContact OG-CB 3.23Å; S129-K131 WeakPolarHBondContact OG-CB 3.45Å; S129-K131 PolarHBondContact OG-N 2.97Å; S129-K131 VanDerWaalsContact OG-N 3.07Å
130	G	98.4	Very high	98.4	Very high	24 Å²	24	54.6 Å²	54.6	25%	0.247	33%	0.333	C	S	.	.			trans	65.7	10.7	-167.6	0	0	0	0	0	114.7	V127 V132	V127-G130 PolarHBondContact O-N 3.36Å; G130-V132 PolarHBondContact O-N 3.05Å
131	K	98.8	Very high	98.4	Very high	47 Å²	47	51.5 Å²	51.5	20%	0.204	32%	0.316	C	S	.	.			trans	-75.6	122.2	-179.7	-169.7	-166.1	-66.1	163.8	0	110.5	D63 I66 I67 D102 Y103 S129	D63-K131 PolarHBondContact O-NZ 2.61Å; I66-K131 VanDerWaalsContact O-CD 3.26Å; I66-K131 WeakPolarHBondContact O-CD 3.39Å; I66-K131 PolarHBondContact O-NZ 3.35Å; I67-K131 HydrophobicContact CD1-CD 4.48Å; I67-K131 HydrophobicContact CG1-CD 3.82Å; I67-K131 HydrophobicContact CG1-CG 4Å; D102-K131 VanDerWaalsContact CG-NZ 3.3Å; D102-K131 WeakPolarHBondContact OD1-CE 3.4Å; D102-K131 IonicContact OD1-NZ 3.55Å; D102-K131 PolarHBondContact OD1-NZ 2.86Å; D102-K131 IonicContact OD2-NZ 2.95Å; D102-K131 PolarHBondContact OD2-NZ 2.76Å; D102-K131 VanDerWaalsContact OD2-NZ 3.08Å; Y103-K131 WeakPolarHBondContact CE2-O 3.5Å; Y103-K131 PolarHBondContact OH-O 3.33Å; S129-K131 PolarHBondContact O-N 3.41Å; S129-K131 VanDerWaalsContact OG-CB 3.23Å; S129-K131 WeakPolarHBondContact OG-CB 3.45Å; S129-K131 PolarHBondContact OG-N 2.97Å; S129-K131 VanDerWaalsContact OG-N 3.07Å
132	V	98.9	Very high	98.4	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.018	30%	0.297	C	S	.	.			trans	-123.6	166.8	176.7	-59.5	0	0	0	0	110.5	V116 A121 V124 G130 K134	V116-V132 HydrophobicContact CG2-CG1 4.23Å; A121-V132 HydrophobicContact CB-CG2 3.91Å; V124-V132 HydrophobicContact CG2-CG1 3.42Å; V124-V132 VanDerWaalsContact CG2-CG1 3.42Å; G130-V132 PolarHBondContact O-N 3.05Å; V132-K134 PolarHBondContact O-N 2.94Å
133	L	98.9	Very high	98.4	Very high	3 Å²	3	43.1 Å²	43.1	2%	0.016	27%	0.269	C	S	.	.			trans	-59.3	132.4	171.5	-71.8	-178.1	0	0	0	110.7	W30 V32 I67 V116 L117 G119 V141 M173	W30-L133 HydrophobicContact CB-CD2 3.68Å; W30-L133 HydrophobicContact CD2-CD2 4.09Å; W30-L133 HydrophobicContact CE3-CD2 3.75Å; W30-L133 HydrophobicContact CG-CD2 4.11Å; V32-L133 HydrophobicContact CG2-CD1 4.16Å; V32-L133 HydrophobicContact CG2-CD2 3.82Å; V32-L133 HydrophobicContact CG2-CG 3.99Å; I67-L133 HydrophobicContact CD1-CD2 3.78Å; I67-L133 HydrophobicContact CD1-CG 4.44Å; V116-L133 WeakPolarHBondContact O-CB 3.47Å; V116-L133 PolarHBondContact O-N 2.75Å; L117-L133 HydrophobicContact CD2-CD1 4.04Å; G119-L133 WeakPolarHBondContact CA-O 3.38Å; L133-V141 HydrophobicContact CD1-CG1 3.92Å; L133-V141 HydrophobicContact CD1-CG2 4.46Å; L133-M173 HydrophobicContact CD1-CE 3.64Å
134	K	98.7	Very high	98.5	Very high	164 Å²	164	40.5 Å²	40.5	71%	0.713	25%	0.247	S	C	*	.			trans	-117.5	30.2	168.1	-55.8	178.5	-179.1	174.6	0	110.6	W30 V132	W30-K134 HydrophobicContact CH2-CB 3.61Å; W30-K134 HydrophobicContact CH2-CG 4.23Å; W30-K134 HydrophobicContact CZ2-CB 3.79Å; W30-K134 HydrophobicContact CZ3-CB 4.47Å; V132-K134 PolarHBondContact O-N 2.94Å
135	S	98.6	Very high	98.5	Very high	9 Å²	9	40.6 Å²	40.6	6%	0.063	25%	0.248	C	C	.	.			trans	-71.5	142.2	-176.5	56.3	0	0	0	0	111.7	W30 D139 M178	W30-S135 VanDerWaalsContact CD1-CB 3.44Å; S135-D139 VanDerWaalsContact CA-OD2 3.26Å; S135-D139 WeakPolarHBondContact CA-OD2 3.48Å; S135-M178 CarbonylContact C-O 3.57Å; S135-M178 WeakPolarHBondContact CB-O 3.12Å; S135-M178 WeakPolarHBondContact O-CA 3.45Å; S135-M178 PolarHBondContact OG-O 3.02Å
136	G	98.2	Very high	98.5	Very high	19 Å²	19	34.1 Å²	34.1	20%	0.196	22%	0.219	C	C	.	.			trans	-114.9	-172.7	-177.3	0	0	0	0	0	114.9	Q138 D139 K177 M178 Y179	G136-Q138 PolarHBondContact O-N 3.21Å; G136-D139 PolarHBondContact N-OD2 3.05Å; G136-D139 WeakPolarHBondContact O-CB 3.38Å; G136-D139 PolarHBondContact O-N 3.32Å; G136-K177 CarbonylContact C-O 3.43Å; G136-K177 VanDerWaalsContact C-O 3.23Å; G136-M178 CarbonylContact O-C 3.5Å; G136-Y179 WeakPolarHBondContact O-CA 3.36Å; G136-Y179 PolarHBondContact O-N 2.89Å
137	P	97.9	Very high	98.6	Very high	85 Å²	85	30.1 Å²	30.1	55%	0.552	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-12.6	-172.7	-21.3	31.1	0	0	0	115.7	K177 R180	P137-K177 VanDerWaalsContact CA-O 3.29Å; P137-K177 WeakPolarHBondContact CA-O 3.42Å; P137-K177 HydrophobicContact CB-CB 4.1Å; P137-K177 WeakPolarHBondContact CD-O 3.39Å; P137-K177 HydrophobicContact CG-CB 3.82Å; P137-K177 HydrophobicContact CG-CD 4.49Å; P137-K177 WeakPolarHBondContact CG-O 3.48Å; P137-R180 WeakPolarHBondContact O-CB 3.5Å
138	Q	97.3	Very high	98.6	Very high	121 Å²	121	29 Å²	29	57%	0.565	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-3.4	179.5	-65.8	-175.2	-11	0	0	112.7	G27 G136	G27-Q138 WeakPolarHBondContact CA-O 3.45Å; G27-Q138 PolarHBondContact N-O 3.19Å; G136-Q138 PolarHBondContact O-N 3.21Å
139	D	98.3	Very high	98.6	Very high	17 Å²	17	27.1 Å²	27.1	9%	0.091	15%	0.152	C	C	.	.			trans	-89.2	152.8	-170.4	-67.3	-2.9	0	0	0	111.6	G27 K28 W30 S135 G136 R180	G27-D139 WeakPolarHBondContact CA-OD1 3.46Å; K28-D139 PolarHBondContact N-OD1 2.86Å; K28-D139 CarbonylContact O-C 3.52Å; K28-D139 WeakPolarHBondContact O-CA 3.38Å; K28-D139 VanDerWaalsContact O-CB 3.25Å; K28-D139 WeakPolarHBondContact O-CB 3.48Å; W30-D139 PolarHBondContact NE1-OD2 3.29Å; S135-D139 VanDerWaalsContact CA-OD2 3.26Å; S135-D139 WeakPolarHBondContact CA-OD2 3.48Å; G136-D139 PolarHBondContact N-OD2 3.05Å; G136-D139 WeakPolarHBondContact O-CB 3.38Å; G136-D139 PolarHBondContact O-N 3.32Å; D139-R180 WeakPolarHBondContact O-CB 3.35Å; D139-R180 PolarHBondContact O-N 2.99Å
140	H	98.8	Very high	98.6	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	143	167.7	-62.1	160	0	0	0	110.1	D25 K28 H29 W30 K181 M278 Q282 F283	D25-H140 VanDerWaalsContact CG-CE1 3.42Å; D25-H140 IonicContact OD1-CE1 2.74Å; D25-H140 PolarHBondContact OD1-CE1 3.46Å; D25-H140 IonicContact OD1-ND1 3.51Å; D25-H140 IonicContact OD1-NE2 3.22Å; D25-H140 IonicContact OD2-CE1 2.89Å; K28-H140 PolarHBondContact O-N 3.5Å; H29-H140 WeakPolarHBondContact CA-O 3.25Å; H29-H140 AromaticContact CD2-CG 3.95Å; H29-H140 AromaticContact CD2-ND1 3.67Å; H29-H140 AromaticContact NE2-ND1 3.47Å; H29-H140 PolarHBondContact NE2-ND1 2.88Å; W30-H140 PolarHBondContact N-O 2.81Å; H140-K181 WeakPolarHBondContact CA-O 3.37Å; H140-M278 WeakPolarHBondContact CE1-CE 3.32Å; H140-Q282 WeakPolarHBondContact CB-O 3.3Å; H140-Q282 PolarHBondContact ND1-O 2.81Å; H140-F283 HydrophobicContact CB-CD1 3.98Å; H140-F283 HydrophobicContact CB-CE1 3.84Å
141	V	98.9	Very high	98.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	125.7	176.3	-179.6	0	0	0	0	108.7	W30 L133 V143 K181 M182 V183	W30-V141 HydrophobicContact CB-CG2 4.34Å; W30-V141 CarbonylContact O-C 3.57Å; W30-V141 WeakPolarHBondContact O-CA 3.16Å; L133-V141 HydrophobicContact CD1-CG1 3.92Å; L133-V141 HydrophobicContact CD1-CG2 4.46Å; V141-V143 HydrophobicContact CG1-CG2 3.91Å; V141-K181 PolarHBondContact N-O 2.97Å; V141-M182 HydrophobicContact CB-CB 4.32Å; V141-M182 HydrophobicContact CB-CG 4Å; V141-M182 HydrophobicContact CB-SD 4.3Å; V141-M182 HydrophobicContact CG1-CG 4.18Å; V141-M182 HydrophobicContact CG1-SD 4.14Å; V141-M182 CarbonylContact O-C 3.53Å; V141-M182 VanDerWaalsContact O-CA 3.23Å; V141-M182 WeakPolarHBondContact O-CA 3.14Å; V141-V183 PolarHBondContact O-N 3.01Å
142	F	98.9	Very high	98.5	Very high	1 Å²	1	21.4 Å²	21.4	0%	0.004	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	126.7	170.1	-179.6	-125.4	0	0	0	109.1	W30 V31 V32 I56 V183 Y185 W237 F283 Q284	W30-F142 PolarHBondContact O-N 3.38Å; V31-F142 CarbonylContact C-O 3.53Å; V31-F142 VanDerWaalsContact CA-O 3.25Å; V31-F142 WeakPolarHBondContact CA-O 3.37Å; V31-F142 HydrophobicContact CG1-CB 4.48Å; V31-F142 HydrophobicContact CG1-CD1 3.82Å; V31-F142 HydrophobicContact CG2-CB 4.32Å; V32-F142 PolarHBondContact N-O 2.85Å; I56-F142 HydrophobicContact CD1-CD1 4.18Å; I56-F142 HydrophobicContact CD1-CE1 4.45Å; F142-V183 CarbonylContact C-O 3.53Å; F142-V183 WeakPolarHBondContact CA-O 3.5Å; F142-V183 HydrophobicContact CD2-CB 4.07Å; F142-V183 HydrophobicContact CD2-CG1 3.91Å; F142-V183 HydrophobicContact CE2-CG1 4.07Å; F142-Y185 AromaticContact CE2-CD1 3.94Å; F142-Y185 HydrophobicContact CE2-CD1 3.94Å; F142-Y185 AromaticContact CE2-CD2 3.87Å; F142-Y185 HydrophobicContact CE2-CD2 3.87Å; F142-Y185 HydrophobicContact CE2-CE1 4.4Å; F142-Y185 HydrophobicContact CE2-CE2 4.32Å; F142-Y185 AromaticContact CE2-CG 3.68Å; F142-Y185 HydrophobicContact CE2-CG 3.68Å; F142-Y185 AromaticContact CZ-CD2 3.76Å; F142-Y185 HydrophobicContact CZ-CD2 3.76Å; F142-Y185 HydrophobicContact CZ-CE2 4.34Å; F142-Y185 AromaticContact CZ-CG 3.93Å; F142-Y185 HydrophobicContact CZ-CG 3.93Å; F142-W237 HydrophobicContact CE1-CH2 4.28Å; F142-W237 HydrophobicContact CZ-CH2 4.29Å; F142-F283 HydrophobicContact CB-CB 4.19Å; F142-F283 HydrophobicContact CG-CB 4.48Å; F142-Q284 HydrophobicContact CD1-CG 4.26Å; F142-Q284 HydrophobicContact CE1-CG 4.11Å; F142-Q284 HydrophobicContact CZ-CG 4.4Å
143	V	99	Very high	98.5	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.006	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	123	176.3	-174.3	0	0	0	0	108.1	V32 F113 L117 V141 V183 F184 Y185	V32-V143 HydrophobicContact CB-CG1 4.33Å; V32-V143 HydrophobicContact CB-CG2 4.39Å; V32-V143 CarbonylContact O-C 3.54Å; V32-V143 WeakPolarHBondContact O-CA 3.47Å; F113-V143 HydrophobicContact CE2-CG1 4.1Å; F113-V143 HydrophobicContact CZ-CG1 4.09Å; L117-V143 HydrophobicContact CD2-CG2 3.96Å; V141-V143 HydrophobicContact CG1-CG2 3.91Å; V143-V183 PolarHBondContact N-O 2.73Å; V143-F184 HydrophobicContact CB-CD1 3.61Å; V143-F184 HydrophobicContact CB-CE1 3.54Å; V143-F184 HydrophobicContact CB-CG 4.17Å; V143-F184 HydrophobicContact CB-CZ 4.04Å; V143-F184 HydrophobicContact CG1-CD1 3.76Å; V143-F184 HydrophobicContact CG1-CE1 3.49Å; V143-F184 VanDerWaalsContact CG1-CE1 3.49Å; V143-F184 HydrophobicContact CG1-CZ 4.29Å; V143-F184 HydrophobicContact CG2-CD1 4.35Å; V143-F184 HydrophobicContact CG2-CE1 3.88Å; V143-F184 HydrophobicContact CG2-CE2 4.33Å; V143-F184 HydrophobicContact CG2-CZ 3.86Å; V143-F184 CarbonylContact O-C 3.37Å; V143-F184 VanDerWaalsContact O-CA 3.31Å; V143-F184 WeakPolarHBondContact O-CA 3.47Å; V143-Y185 PolarHBondContact O-N 3.26Å
144	Y	99	Very high	98.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.8	174.5	173.9	-129.3	0	0	0	109.8	V32 I33 V34 D48 A52 T146 Y185 E187 S234 W237	V32-Y144 PolarHBondContact O-N 3.1Å; I33-Y144 CarbonylContact C-O 3.23Å; I33-Y144 WeakPolarHBondContact CA-O 3.3Å; I33-Y144 HydrophobicContact CG2-CD1 4.07Å; V34-Y144 PolarHBondContact N-O 3.12Å; D48-Y144 HydrophobicContact CB-CE1 4.49Å; D48-Y144 WeakPolarHBondContact CB-OH 3.48Å; D48-Y144 PolarHBondContact OD2-OH 2.86Å; A52-Y144 HydrophobicContact CB-CD1 3.48Å; A52-Y144 VanDerWaalsContact CB-CD1 3.48Å; A52-Y144 HydrophobicContact CB-CE1 3.68Å; Y144-T146 HydrophobicContact CE1-CG2 4Å; Y144-T146 WeakPolarHBondContact OH-CB 3.33Å; Y144-Y185 WeakPolarHBondContact CA-O 3.31Å; Y144-E187 HydrophobicContact CE2-CB 4.44Å; Y144-S234 WeakPolarHBondContact OH-CB 3.11Å; Y144-S234 PolarHBondContact OH-OG 3.12Å; Y144-W237 AromaticContact CD1-CZ2 3.89Å; Y144-W237 HydrophobicContact CD1-CZ2 3.89Å; Y144-W237 HydrophobicContact CD2-CZ2 4.03Å; Y144-W237 AromaticContact CE1-CZ2 3.85Å; Y144-W237 HydrophobicContact CE1-CZ2 3.85Å; Y144-W237 HydrophobicContact CE2-CZ2 4.01Å; Y144-W237 AromaticContact CE2-NE1 3.6Å; Y144-W237 AromaticContact CG-CZ2 3.97Å; Y144-W237 HydrophobicContact CG-CZ2 3.97Å; Y144-W237 AromaticContact CZ-CZ2 3.91Å; Y144-W237 AromaticContact CZ-NE1 3.86Å
145	F	98.9	Very high	98.5	Very high	3 Å²	3	13.8 Å²	13.8	1%	0.013	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	135.1	175.3	178.7	-80.3	0	0	0	109.2	V34 D147 L154 V155 F156 Y185 I186 E187 A188	V34-F145 HydrophobicContact CB-CD2 3.83Å; V34-F145 HydrophobicContact CB-CE2 4.44Å; V34-F145 HydrophobicContact CG1-CD2 3.77Å; V34-F145 HydrophobicContact CG1-CE2 3.88Å; V34-F145 WeakPolarHBondContact O-CA 3.5Å; F145-D147 HydrophobicContact CE1-CB 3.53Å; F145-D147 HydrophobicContact CZ-CB 3.52Å; F145-L154 HydrophobicContact CD1-CD1 3.87Å; F145-L154 HydrophobicContact CD1-CD2 3.93Å; F145-L154 HydrophobicContact CD1-CG 4.31Å; F145-L154 HydrophobicContact CD2-CD1 4.13Å; F145-L154 HydrophobicContact CE1-CB 3.92Å; F145-L154 HydrophobicContact CE1-CD1 4.1Å; F145-L154 HydrophobicContact CE1-CD2 3.72Å; F145-L154 HydrophobicContact CE1-CG 4.1Å; F145-L154 HydrophobicContact CE2-CB 4.11Å; F145-L154 HydrophobicContact CE2-CD1 4.35Å; F145-L154 HydrophobicContact CG-CD1 3.9Å; F145-L154 HydrophobicContact CZ-CB 3.7Å; F145-L154 HydrophobicContact CZ-CD1 4.34Å; F145-L154 HydrophobicContact CZ-CD2 4.39Å; F145-L154 HydrophobicContact CZ-CG 4.34Å; F145-V155 VanDerWaalsContact CZ-O 3.27Å; F145-V155 WeakPolarHBondContact CZ-O 3.17Å; F145-F156 HydrophobicContact CE2-CD2 4.34Å; F145-F156 AromaticContact CE2-CE2 3.79Å; F145-F156 HydrophobicContact CE2-CE2 3.79Å; F145-F156 HydrophobicContact CE2-CZ 4.19Å; F145-Y185 PolarHBondContact N-O 2.83Å; F145-I186 HydrophobicContact CD1-CG2 4.16Å; F145-E187 PolarHBondContact O-N 2.85Å; F145-A188 HydrophobicContact CE1-CB 4.43Å
146	T	98.9	Very high	98.5	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	118.7	174	177.1	0	0	0	0	110.6	V34 A35 G36 H45 D48 A49 Y144 E187	V34-T146 PolarHBondContact O-N 2.89Å; A35-T146 WeakPolarHBondContact CA-O 3.25Å; A35-T146 HydrophobicContact CB-CG2 4.46Å; G36-T146 PolarHBondContact N-O 2.83Å; H45-T146 HydrophobicContact CB-CG2 4.26Å; H45-T146 WeakPolarHBondContact O-CG2 3.25Å; D48-T146 HydrophobicContact CB-CG2 3.77Å; D48-T146 PolarHBondContact OD2-OG1 2.79Å; D48-T146 VanDerWaalsContact OD2-OG1 3.07Å; A49-T146 HydrophobicContact CB-CG2 4.37Å; Y144-T146 HydrophobicContact CE1-CG2 4Å; Y144-T146 WeakPolarHBondContact OH-CB 3.33Å; T146-E187 WeakPolarHBondContact CA-O 3.38Å
147	D	98.1	Very high	98.4	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-172.6	-162.8	171	-162.5	16.2	0	0	0	112.4	G36 S37 H45 F145 V155 E187 A188	G36-D147 VanDerWaalsContact CA-CG 3.5Å; G36-D147 WeakPolarHBondContact CA-OD2 3.31Å; S37-D147 WeakPolarHBondContact CB-OD1 3.42Å; S37-D147 PolarHBondContact N-OD2 2.87Å; S37-D147 PolarHBondContact OG-OD1 2.9Å; H45-D147 IonicContact CE1-OD1 3.4Å; H45-D147 PolarHBondContact CE1-OD1 3.33Å; H45-D147 IonicContact CG-OD1 3.74Å; H45-D147 IonicContact ND1-OD1 3.84Å; H45-D147 PolarHBondContact ND1-OD1 3.34Å; H45-D147 VanDerWaalsContact ND1-OD1 3.13Å; H45-D147 IonicContact NE2-OD1 3.6Å; F145-D147 HydrophobicContact CE1-CB 3.53Å; F145-D147 HydrophobicContact CZ-CB 3.52Å; D147-V155 WeakPolarHBondContact OD2-CB 2.92Å; D147-E187 PolarHBondContact N-O 3.44Å; D147-A188 WeakPolarHBondContact O-CA 3.43Å; D147-A188 WeakPolarHBondContact O-CB 3.28Å
148	H	98.6	Very high	98.3	Very high	9 Å²	9	11.9 Å²	11.9	4%	0.042	6%	0.061	C	C	.	.			trans	-63.5	158.7	154.4	-60.3	-67.7	0	0	0	114.2	N42 R44 H45 V155 S307 E399 L402	N42-H148 PolarHBondContact OD1-NE2 3.48Å; N42-H148 VanDerWaalsContact OD1-NE2 3.09Å; R44-H148 PolarHBondContact NH2-CE1 2.52Å; H45-H148 AromaticContact CE1-CD2 3.97Å; H45-H148 AromaticContact CE1-NE2 3.97Å; H148-V155 HydrophobicContact CB-CB 4.04Å; H148-V155 HydrophobicContact CB-CG2 3.96Å; H148-V155 PolarHBondContact O-N 3.42Å; H148-S307 PolarHBondContact CE1-OG 2.84Å; H148-S307 PolarHBondContact ND1-OG 3.34Å; H148-E399 IonicContact CD2-OE2 3.93Å; H148-E399 VanDerWaalsContact CE1-CD 3.42Å; H148-E399 IonicContact CE1-OE1 3.84Å; H148-E399 PolarHBondContact CE1-OE1 3.02Å; H148-E399 VanDerWaalsContact CE1-OE1 3.23Å; H148-E399 IonicContact CE1-OE2 3.14Å; H148-E399 VanDerWaalsContact NE2-CD 3.26Å; H148-E399 IonicContact NE2-OE1 3.54Å; H148-E399 PolarHBondContact NE2-OE1 3.28Å; H148-E399 IonicContact NE2-OE2 3.6Å; H148-E399 PolarHBondContact NE2-OE2 2.85Å; H148-L402 HydrophobicContact CB-CD1 3.99Å
149	G	98.6	Very high	98.3	Very high	2 Å²	2	9.4 Å²	9.4	2%	0.021	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	169.8	175	0	0	0	0	0	111.5	C189	G149-C189 CarbonylContact C-O 3.57Å; G149-C189 VanDerWaalsContact C-O 3.23Å; G149-C189 WeakPolarHBondContact CA-O 3.36Å; G149-C189 WeakPolarHBondContact O-CB 3.48Å
150	S	98.3	Very high	98.3	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	179.9	173.4	-166.9	0	0	0	0	108.5	G152 I153 L402	S150-G152 PolarHBondContact O-N 3.41Å; S150-I153 PolarHBondContact N-O 3.49Å; S150-I153 PolarHBondContact O-N 3.47Å; S150-I153 VanDerWaalsContact O-O 3.05Å; S150-L402 PolarHBondContact OG-O 3.28Å
151	T	97.5	Very high	98.3	Very high	11 Å²	11	9.2 Å²	9.2	7%	0.067	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	111.9	-174.5	-60.6	0	0	0	0	110.8	I153 E190 Y379 Y406 V409	T151-I153 VanDerWaalsContact C-N 3.31Å; T151-I153 PolarHBondContact O-N 2.62Å; T151-E190 PolarHBondContact N-OE2 3.13Å; T151-E190 PolarHBondContact OG1-OE2 3.39Å; T151-Y379 WeakPolarHBondContact O-CE1 3.38Å; T151-Y379 VanDerWaalsContact O-CZ 3.31Å; T151-Y379 PolarHBondContact O-OH 3Å; T151-Y406 WeakPolarHBondContact OG1-CB 3.47Å; T151-V409 HydrophobicContact CG2-CB 4.48Å; T151-V409 HydrophobicContact CG2-CG2 3.8Å
152	G	97.8	Very high	98.3	Very high	1 Å²	1	10.5 Å²	10.5	1%	0.01	5%	0.054	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.3	16.6	177.4	0	0	0	0	0	115.7	S150 V163 S193	S150-G152 PolarHBondContact O-N 3.41Å; G152-V163 PolarHBondContact O-N 3.06Å; G152-S193 PolarHBondContact N-OG 2.82Å
153	I	98.4	Very high	98.2	Very high	1 Å²	1	11.2 Å²	11.2	1%	0.005	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	149.3	174.1	69.7	177.4	0	0	0	112.5	S150 T151 L161 M194 Y379 L383 L402 L405	S150-I153 PolarHBondContact N-O 3.49Å; S150-I153 PolarHBondContact O-N 3.47Å; S150-I153 VanDerWaalsContact O-O 3.05Å; T151-I153 VanDerWaalsContact C-N 3.31Å; T151-I153 PolarHBondContact O-N 2.62Å; I153-L161 CarbonylContact C-O 3.56Å; I153-L161 VanDerWaalsContact CA-O 3.23Å; I153-L161 WeakPolarHBondContact CA-O 2.95Å; I153-M194 VanDerWaalsContact C-SD 3.54Å; I153-M194 PolarHBondContact N-SD 3.48Å; I153-M194 VanDerWaalsContact N-SD 3.42Å; I153-Y379 HydrophobicContact CG2-CE1 4.22Å; I153-L383 HydrophobicContact CD1-CD1 3.91Å; I153-L383 HydrophobicContact CG2-CD1 3.78Å; I153-L402 HydrophobicContact CD1-CD2 4.23Å; I153-L405 HydrophobicContact CD1-CD1 3.57Å
154	L	98.8	Very high	98.1	Very high	3 Å²	3	15.1 Å²	15.1	2%	0.016	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	137	159	-66.1	174.8	0	0	0	108.5	F145 L161 I186 A188 M194	F145-L154 HydrophobicContact CD1-CD1 3.87Å; F145-L154 HydrophobicContact CD1-CD2 3.93Å; F145-L154 HydrophobicContact CD1-CG 4.31Å; F145-L154 HydrophobicContact CD2-CD1 4.13Å; F145-L154 HydrophobicContact CE1-CB 3.92Å; F145-L154 HydrophobicContact CE1-CD1 4.1Å; F145-L154 HydrophobicContact CE1-CD2 3.72Å; F145-L154 HydrophobicContact CE1-CG 4.1Å; F145-L154 HydrophobicContact CE2-CB 4.11Å; F145-L154 HydrophobicContact CE2-CD1 4.35Å; F145-L154 HydrophobicContact CG-CD1 3.9Å; F145-L154 HydrophobicContact CZ-CB 3.7Å; F145-L154 HydrophobicContact CZ-CD1 4.34Å; F145-L154 HydrophobicContact CZ-CD2 4.39Å; F145-L154 HydrophobicContact CZ-CG 4.34Å; L154-L161 HydrophobicContact CB-CB 4.34Å; L154-L161 HydrophobicContact CD1-CD2 4.38Å; L154-L161 PolarHBondContact N-O 2.72Å; L154-L161 PolarHBondContact O-N 2.64Å; L154-I186 HydrophobicContact CD1-CG2 4.25Å; L154-I186 HydrophobicContact CD2-CG2 3.77Å; L154-A188 HydrophobicContact CD2-CB 3.69Å; L154-M194 HydrophobicContact CD1-CE 4.09Å; L154-M194 HydrophobicContact CD1-CG 4.36Å; L154-M194 HydrophobicContact CD2-CG 3.92Å; L154-M194 HydrophobicContact CG-CE 3.82Å; L154-M194 HydrophobicContact CG-CG 3.86Å; L154-M194 HydrophobicContact CG-SD 4.07Å
155	V	98.6	Very high	98	Very high	7 Å²	7	17.9 Å²	17.9	4%	0.042	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	141.4	-177.3	178.1	0	0	0	0	109.6	F145 D147 H148 L402	F145-V155 VanDerWaalsContact CZ-O 3.27Å; F145-V155 WeakPolarHBondContact CZ-O 3.17Å; D147-V155 WeakPolarHBondContact OD2-CB 2.92Å; H148-V155 HydrophobicContact CB-CB 4.04Å; H148-V155 HydrophobicContact CB-CG2 3.96Å; H148-V155 PolarHBondContact O-N 3.42Å; V155-L402 HydrophobicContact CG2-CD1 4.04Å; V155-L402 HydrophobicContact CG2-CD2 3.68Å
156	F	98.8	Very high	98	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.09	C	C	.	.			trans	-118.1	165.1	166.3	-85.4	-111.1	0	0	0	107.6	V34 G36 V108 T109 P110 F113 F145 N158 E159 L161 H394	V34-F156 HydrophobicContact CG1-CE1 3.95Å; V34-F156 HydrophobicContact CG1-CZ 3.95Å; G36-F156 CarbonylContact O-C 3.5Å; G36-F156 WeakPolarHBondContact O-CA 3.36Å; V108-F156 HydrophobicContact CG1-CD1 4.03Å; V108-F156 HydrophobicContact CG1-CE1 4.34Å; T109-F156 VanDerWaalsContact C-CE1 3.46Å; T109-F156 WeakPolarHBondContact O-CE1 3.37Å; P110-F156 HydrophobicContact CB-CD2 4.48Å; P110-F156 HydrophobicContact CG-CB 3.98Å; P110-F156 HydrophobicContact CG-CD1 4.29Å; P110-F156 HydrophobicContact CG-CD2 3.78Å; P110-F156 HydrophobicContact CG-CE2 4.34Å; P110-F156 HydrophobicContact CG-CG 3.76Å; F113-F156 HydrophobicContact CB-CE1 3.86Å; F113-F156 HydrophobicContact CB-CZ 3.67Å; F113-F156 HydrophobicContact CD1-CE2 4.49Å; F113-F156 AromaticContact CD1-CZ 3.86Å; F113-F156 HydrophobicContact CD1-CZ 3.86Å; F113-F156 HydrophobicContact CG-CE1 4.46Å; F113-F156 AromaticContact CG-CZ 3.83Å; F113-F156 HydrophobicContact CG-CZ 3.83Å; F145-F156 HydrophobicContact CE2-CD2 4.34Å; F145-F156 AromaticContact CE2-CE2 3.79Å; F145-F156 HydrophobicContact CE2-CE2 3.79Å; F145-F156 HydrophobicContact CE2-CZ 4.19Å; F156-N158 PolarHBondContact O-N 3.15Å; F156-E159 CarbonylContact C-O 3.53Å; F156-E159 WeakPolarHBondContact CA-O 3.39Å; F156-E159 VanDerWaalsContact CB-O 3.32Å; F156-E159 WeakPolarHBondContact CB-O 3.38Å; F156-E159 PolarHBondContact N-O 3.16Å; F156-E159 PolarHBondContact O-N 3.46Å; F156-L161 HydrophobicContact CD2-CB 3.95Å; F156-L161 HydrophobicContact CE2-CB 3.7Å; F156-L161 HydrophobicContact CE2-CD2 4.05Å; F156-H394 PolarHBondContact O-CE1 2.99Å; F156-H394 PolarHBondContact O-ND1 3.21Å
157	P	97.9	Very high	97.9	Very high	5 Å²	5	20.2 Å²	20.2	3%	0.032	10%	0.103	C	C	.	.	S	Bend	trans	-58.1	-31	-165.8	-29.8	37.9	0	0	0	114.6	G36 Y71 V108	G36-P157 WeakPolarHBondContact O-CD 3.22Å; G36-P157 WeakPolarHBondContact O-CG 3.36Å; Y71-P157 HydrophobicContact CD2-CB 3.67Å; Y71-P157 HydrophobicContact CD2-CG 3.77Å; Y71-P157 HydrophobicContact CE2-CB 3.98Å; V108-P157 HydrophobicContact CB-CG 4.13Å; V108-P157 HydrophobicContact CG1-CG 3.99Å; V108-P157 WeakPolarHBondContact O-CD 3.18Å
158	N	95.6	Very high	97.9	Very high	68 Å²	68	25.1 Å²	25.1	36%	0.364	13%	0.126	S	C	.	.	S	Bend	trans	-132.4	0.8	179.4	-66.2	-56.9	0	0	0	113.5	E106 F156 H394	E106-N158 VanDerWaalsContact CD-ND2 3.31Å; E106-N158 PolarHBondContact OE1-ND2 2.9Å; E106-N158 VanDerWaalsContact OE1-ND2 3.16Å; E106-N158 PolarHBondContact OE2-ND2 3.36Å; F156-N158 PolarHBondContact O-N 3.15Å; N158-H394 PolarHBondContact O-CD2 2.87Å
159	E	96.9	Very high	97.9	Very high	68 Å²	68	24.9 Å²	24.9	32%	0.318	13%	0.125	S	C	.	.	S	Bend	trans	-145.3	175.2	-172.9	-70.5	-162.2	-146	0	0	111.6	P110 Q111 F156 H394	P110-E159 HydrophobicContact CG-CB 3.81Å; Q111-E159 PolarHBondContact NE2-OE2 3.12Å; Q111-E159 PolarHBondContact OE1-OE2 3.08Å; F156-E159 CarbonylContact C-O 3.53Å; F156-E159 WeakPolarHBondContact CA-O 3.39Å; F156-E159 VanDerWaalsContact CB-O 3.32Å; F156-E159 WeakPolarHBondContact CB-O 3.38Å; F156-E159 PolarHBondContact N-O 3.16Å; F156-E159 PolarHBondContact O-N 3.46Å; E159-H394 PolarHBondContact N-CE1 3.33Å; E159-H394 PolarHBondContact N-NE2 3.39Å; E159-H394 PolarHBondContact O-CE1 3.45Å
160	D	98.1	Very high	97.9	Very high	12 Å²	12	24.9 Å²	24.9	6%	0.064	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	128	-174.6	-56.1	-81.9	0	0	0	109.7	R387 W393 H394	D160-R387 IonicContact OD2-CZ 3.89Å; D160-R387 IonicContact OD2-NH1 3.64Å; D160-R387 PolarHBondContact OD2-NH1 3.39Å; D160-W393 PolarHBondContact OD1-NE1 2.94Å; D160-W393 WeakPolarHBondContact OD2-CZ2 3.46Å; D160-H394 IonicContact OD1-CE1 2.83Å; D160-H394 PolarHBondContact OD1-CE1 3.18Å; D160-H394 IonicContact OD1-NE2 2.74Å; D160-H394 IonicContact OD2-CE1 3.81Å; D160-H394 IonicContact OD2-NE2 3.14Å; D160-H394 PolarHBondContact OD2-NE2 2.94Å
161	L	98.6	Very high	97.9	Very high	1 Å²	1	28 Å²	28	1%	0.005	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	112.1	173.8	172.3	62.4	0	0	0	109.8	P110 F113 L114 I153 L154 F156 D165 L166	P110-L161 HydrophobicContact CB-CB 4.05Å; P110-L161 HydrophobicContact CB-CD1 4.26Å; P110-L161 HydrophobicContact CG-CB 4.25Å; F113-L161 HydrophobicContact CD1-CD2 3.76Å; F113-L161 HydrophobicContact CE1-CD2 3.6Å; L114-L161 HydrophobicContact CD1-CD1 3.77Å; L114-L161 HydrophobicContact CD2-CD1 3.85Å; L114-L161 HydrophobicContact CG-CD1 3.96Å; I153-L161 CarbonylContact C-O 3.56Å; I153-L161 VanDerWaalsContact CA-O 3.23Å; I153-L161 WeakPolarHBondContact CA-O 2.95Å; L154-L161 HydrophobicContact CB-CB 4.34Å; L154-L161 HydrophobicContact CD1-CD2 4.38Å; L154-L161 PolarHBondContact N-O 2.72Å; L154-L161 PolarHBondContact O-N 2.64Å; F156-L161 HydrophobicContact CD2-CB 3.95Å; F156-L161 HydrophobicContact CE2-CB 3.7Å; F156-L161 HydrophobicContact CE2-CD2 4.05Å; L161-D165 HydrophobicContact CD1-CB 4.37Å; L161-L166 HydrophobicContact CD1-CB 4.41Å; L161-L166 HydrophobicContact CD2-CB 4.36Å; L161-L166 HydrophobicContact CD2-CD2 4.49Å
162	H	98.1	Very high	98	Very high	28 Å²	28	31.9 Å²	31.9	13%	0.13	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	142.5	174.6	-65.9	-86.3	0	0	0	112.2	K164 D165 L166	H162-K164 PolarHBondContact O-N 2.87Å; H162-K164 VanDerWaalsContact O-N 3.11Å; H162-D165 PolarHBondContact O-N 2.88Å; H162-L166 PolarHBondContact O-N 2.76Å
163	V	97.7	Very high	98	Very high	15 Å²	15	31.8 Å²	31.8	9%	0.091	15%	0.152	C	C	.	.	H	α-helix	trans	-55.1	-32.1	178.5	64.5	0	0	0	0	113.5	G152 N167 M194 L373	G152-V163 PolarHBondContact O-N 3.06Å; V163-N167 VanDerWaalsContact O-CB 3.29Å; V163-N167 WeakPolarHBondContact O-CB 3.44Å; V163-N167 PolarHBondContact O-N 2.89Å; V163-M194 VanDerWaalsContact CA-CE 3.49Å; V163-M194 HydrophobicContact CB-CE 3.79Å; V163-M194 HydrophobicContact CB-SD 3.81Å; V163-M194 HydrophobicContact CG2-CE 4.22Å; V163-M194 WeakPolarHBondContact CG2-O 3.4Å; V163-M194 HydrophobicContact CG2-SD 4.3Å; V163-L373 HydrophobicContact CG1-CD2 3.83Å
164	K	96.1	Very high	98	Very high	84 Å²	84	36.3 Å²	36.3	37%	0.365	17%	0.17	S	C	.	.	H	α-helix	trans	-61.1	-48.2	178.1	-168.5	-157.1	-176.4	-157.2	0	111	H162 N167 E168 H376	H162-K164 PolarHBondContact O-N 2.87Å; H162-K164 VanDerWaalsContact O-N 3.11Å; K164-N167 PolarHBondContact O-N 2.78Å; K164-E168 WeakPolarHBondContact CE-OE1 3.18Å; K164-E168 IonicContact NZ-OE1 3.52Å; K164-E168 WeakPolarHBondContact O-CG 3.4Å; K164-E168 PolarHBondContact O-N 2.81Å; K164-H376 HydrophobicContact CD-CB 4.05Å; K164-H376 HydrophobicContact CG-CB 4.29Å
165	D	97.6	Very high	98	Very high	58 Å²	58	44 Å²	44	31%	0.31	20%	0.203	S	C	.	.	H	α-helix	trans	-71.3	-35.1	-175.7	-54.1	-40.3	0	0	0	111.5	L114 L161 H162 T169	L114-D165 HydrophobicContact CD1-CB 3.74Å; L161-D165 HydrophobicContact CD1-CB 4.37Å; H162-D165 PolarHBondContact O-N 2.88Å; D165-T169 VanDerWaalsContact O-CB 3.3Å; D165-T169 WeakPolarHBondContact O-CB 3.38Å; D165-T169 PolarHBondContact O-N 2.87Å; D165-T169 PolarHBondContact O-OG1 2.68Å
166	L	98.6	Very high	98	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.016	22%	0.224	C	C	.	.	H	α-helix	trans	-63.6	-46.4	171	-179.3	58.3	0	0	0	111.3	F113 L114 L117 L161 H162 T169 I170 F184 M194 M195	F113-L166 HydrophobicContact CE1-CD1 4.12Å; L114-L166 HydrophobicContact CD2-CD1 4.26Å; L117-L166 HydrophobicContact CD1-CD1 4.13Å; L161-L166 HydrophobicContact CD1-CB 4.41Å; L161-L166 HydrophobicContact CD2-CB 4.36Å; L161-L166 HydrophobicContact CD2-CD2 4.49Å; H162-L166 PolarHBondContact O-N 2.76Å; L166-T169 PolarHBondContact O-N 3.36Å; L166-I170 HydrophobicContact CD1-CD1 4.16Å; L166-I170 HydrophobicContact CD1-CG1 4.32Å; L166-I170 HydrophobicContact CG-CD1 4.01Å; L166-I170 WeakPolarHBondContact O-CG1 3.32Å; L166-I170 PolarHBondContact O-N 2.89Å; L166-F184 HydrophobicContact CD1-CE1 4.31Å; L166-F184 HydrophobicContact CD1-CZ 4.41Å; L166-M194 HydrophobicContact CD2-CE 3.88Å; L166-M195 HydrophobicContact CD2-CE 3.97Å
167	N	96.8	Very high	98	Very high	49 Å²	49	55.4 Å²	55.4	26%	0.262	25%	0.254	S	S	.	.	H	α-helix	trans	-62.5	-46.4	178.4	-172.4	-9.7	0	0	0	111.5	V163 K164 T169 I170 H171	V163-N167 VanDerWaalsContact O-CB 3.29Å; V163-N167 WeakPolarHBondContact O-CB 3.44Å; V163-N167 PolarHBondContact O-N 2.89Å; K164-N167 PolarHBondContact O-N 2.78Å; N167-T169 VanDerWaalsContact C-N 3.25Å; N167-T169 PolarHBondContact O-N 2.88Å; N167-I170 PolarHBondContact O-N 3.42Å; N167-H171 WeakPolarHBondContact O-CB 3.46Å; N167-H171 PolarHBondContact O-N 3.01Å; N167-H171 PolarHBondContact OD1-CD2 3Å; N167-H171 PolarHBondContact OD1-NE2 3.36Å
168	E	98.1	Very high	98.1	Very high	102 Å²	102	56 Å²	56	48%	0.477	26%	0.256	S	S	.	.	H	α-helix	trans	-57.9	-39.4	174.5	-73.8	179.3	-174.4	0	0	111.8	K164 H171 Y172	K164-E168 WeakPolarHBondContact CE-OE1 3.18Å; K164-E168 IonicContact NZ-OE1 3.52Å; K164-E168 WeakPolarHBondContact O-CG 3.4Å; K164-E168 PolarHBondContact O-N 2.81Å; E168-H171 PolarHBondContact O-N 3.48Å; E168-Y172 WeakPolarHBondContact O-CB 3.25Å; E168-Y172 PolarHBondContact O-N 3.02Å
169	T	98.9	Very high	98.2	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-69.4	-43.3	177	-64.9	0	0	0	0	112.6	L114 L117 R118 D165 L166 N167 H171 Y172 M173	L114-T169 HydrophobicContact CB-CG2 4.44Å; L114-T169 HydrophobicContact CD2-CG2 4.02Å; L117-T169 HydrophobicContact CB-CG2 3.68Å; L117-T169 HydrophobicContact CD1-CG2 4.03Å; R118-T169 HydrophobicContact CG-CG2 3.83Å; R118-T169 PolarHBondContact NH1-OG1 3.27Å; D165-T169 VanDerWaalsContact O-CB 3.3Å; D165-T169 WeakPolarHBondContact O-CB 3.38Å; D165-T169 PolarHBondContact O-N 2.87Å; D165-T169 PolarHBondContact O-OG1 2.68Å; L166-T169 PolarHBondContact O-N 3.36Å; N167-T169 VanDerWaalsContact C-N 3.25Å; N167-T169 PolarHBondContact O-N 2.88Å; T169-H171 VanDerWaalsContact C-N 3.31Å; T169-H171 PolarHBondContact O-N 3.08Å; T169-Y172 WeakPolarHBondContact O-CB 3.34Å; T169-Y172 PolarHBondContact O-N 3.25Å; T169-Y172 VanDerWaalsContact O-N 3.16Å; T169-M173 WeakPolarHBondContact O-CG 3.39Å; T169-M173 PolarHBondContact O-N 3.35Å
170	I	98.8	Very high	98.3	Very high	2 Å²	2	52.4 Å²	52.4	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-44.1	173.9	-71.1	168.5	0	0	0	110.4	L166 N167 Y172 M173 Y174 M182 F184 M195 L198 I202 V204	L166-I170 HydrophobicContact CD1-CD1 4.16Å; L166-I170 HydrophobicContact CD1-CG1 4.32Å; L166-I170 HydrophobicContact CG-CD1 4.01Å; L166-I170 WeakPolarHBondContact O-CG1 3.32Å; L166-I170 PolarHBondContact O-N 2.89Å; N167-I170 PolarHBondContact O-N 3.42Å; I170-Y172 VanDerWaalsContact C-N 3.34Å; I170-Y172 PolarHBondContact O-N 2.81Å; I170-M173 PolarHBondContact O-N 3.39Å; I170-Y174 PolarHBondContact O-N 2.74Å; I170-M182 HydrophobicContact CB-CE 4.43Å; I170-M182 HydrophobicContact CG1-CE 4.15Å; I170-M182 HydrophobicContact CG2-CE 3.89Å; I170-F184 HydrophobicContact CD1-CE2 3.83Å; I170-F184 HydrophobicContact CD1-CZ 3.92Å; I170-F184 HydrophobicContact CG1-CE2 4.06Å; I170-F184 HydrophobicContact CG1-CZ 4.03Å; I170-M195 HydrophobicContact CD1-CE 4.2Å; I170-L198 HydrophobicContact CD1-CD1 4.26Å; I170-L198 HydrophobicContact CG2-CD1 4.28Å; I170-I202 HydrophobicContact CG2-CD1 3.63Å; I170-V204 HydrophobicContact CG2-CG2 3.92Å
171	H	98.6	Very high	98.3	Very high	66 Å²	66	53.7 Å²	53.7	31%	0.306	24%	0.24	S	C	.	.	H	α-helix	trans	-64.5	-36.5	175.4	-85.1	-42.5	0	0	0	113.1	N167 E168 T169 K175	N167-H171 WeakPolarHBondContact O-CB 3.46Å; N167-H171 PolarHBondContact O-N 3.01Å; N167-H171 PolarHBondContact OD1-CD2 3Å; N167-H171 PolarHBondContact OD1-NE2 3.36Å; E168-H171 PolarHBondContact O-N 3.48Å; T169-H171 VanDerWaalsContact C-N 3.31Å; T169-H171 PolarHBondContact O-N 3.08Å; H171-K175 WeakPolarHBondContact O-CG 3.47Å; H171-K175 PolarHBondContact O-N 2.94Å
172	Y	98.8	Very high	98.3	Very high	91 Å²	91	53.7 Å²	53.7	36%	0.357	24%	0.24	S	C	.	.	H	α-helix	trans	-59.3	-52.7	171.3	177.2	-80.6	0	0	0	110.4	R118 E168 T169 I170 Y174 K175 H176 M178	R118-Y172 HydrophobicContact CB-CD1 4.02Å; R118-Y172 HydrophobicContact CB-CE1 3.84Å; R118-Y172 HydrophobicContact CG-CD1 3.6Å; R118-Y172 HydrophobicContact CG-CE1 3.92Å; R118-Y172 HydrophobicContact CG-CG 4.11Å; E168-Y172 WeakPolarHBondContact O-CB 3.25Å; E168-Y172 PolarHBondContact O-N 3.02Å; T169-Y172 WeakPolarHBondContact O-CB 3.34Å; T169-Y172 PolarHBondContact O-N 3.25Å; T169-Y172 VanDerWaalsContact O-N 3.16Å; I170-Y172 VanDerWaalsContact C-N 3.34Å; I170-Y172 PolarHBondContact O-N 2.81Å; Y172-Y174 VanDerWaalsContact C-N 3.28Å; Y172-Y174 PolarHBondContact O-N 3.04Å; Y172-K175 PolarHBondContact O-N 3.06Å; Y172-K175 VanDerWaalsContact O-N 3.17Å; Y172-H176 AromaticContact CD1-ND1 3.67Å; Y172-H176 AromaticContact CD2-CE1 3.35Å; Y172-H176 WeakPolarHBondContact CD2-CE1 3.37Å; Y172-H176 AromaticContact CD2-ND1 3.58Å; Y172-H176 HydrophobicContact CE1-CB 4.3Å; Y172-H176 AromaticContact CE1-CG 3.84Å; Y172-H176 AromaticContact CE1-ND1 3.63Å; Y172-H176 AromaticContact CE2-CE1 3.12Å; Y172-H176 WeakPolarHBondContact CE2-CE1 3.26Å; Y172-H176 AromaticContact CE2-ND1 3.56Å; Y172-H176 AromaticContact CE2-NE2 3.62Å; Y172-H176 AromaticContact CG-CE1 3.9Å; Y172-H176 AromaticContact CG-ND1 3.63Å; Y172-H176 AromaticContact CZ-CD2 3.91Å; Y172-H176 AromaticContact CZ-CE1 3.49Å; Y172-H176 VanDerWaalsContact CZ-CE1 3.49Å; Y172-H176 AromaticContact CZ-CG 3.83Å; Y172-H176 AromaticContact CZ-ND1 3.57Å; Y172-H176 AromaticContact CZ-NE2 3.73Å; Y172-H176 PolarHBondContact O-N 2.96Å; Y172-H176 PolarHBondContact O-ND1 2.86Å; Y172-M178 HydrophobicContact CD1-SD 4.24Å; Y172-M178 HydrophobicContact CE1-SD 4.01Å
173	M	98.9	Very high	98.4	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.2	-42.5	-179.8	-68.4	175.3	77.8	0	0	111.7	L117 L133 T169 I170 H176 K177 M178 Y179 M182	L117-M173 HydrophobicContact CB-SD 3.77Å; L117-M173 HydrophobicContact CD2-CE 4.48Å; L117-M173 HydrophobicContact CD2-SD 4.35Å; L117-M173 HydrophobicContact CG-SD 4.45Å; L117-M173 WeakPolarHBondContact O-CE 3.28Å; L117-M173 WeakPolarHBondContact O-CG 3.19Å; L133-M173 HydrophobicContact CD1-CE 3.64Å; T169-M173 WeakPolarHBondContact O-CG 3.39Å; T169-M173 PolarHBondContact O-N 3.35Å; I170-M173 PolarHBondContact O-N 3.39Å; M173-H176 PolarHBondContact O-N 2.99Å; M173-K177 PolarHBondContact O-N 2.81Å; M173-K177 VanDerWaalsContact O-N 3.13Å; M173-M178 HydrophobicContact CB-CB 4.12Å; M173-M178 HydrophobicContact CB-SD 4.23Å; M173-M178 HydrophobicContact CG-SD 3.93Å; M173-M178 PolarHBondContact O-N 2.73Å; M173-Y179 HydrophobicContact CB-CD1 3.95Å; M173-Y179 HydrophobicContact CB-CE1 3.65Å; M173-Y179 HydrophobicContact CE-CD1 4.27Å; M173-M182 HydrophobicContact CE-SD 3.76Å; M173-M182 HydrophobicContact SD-CE 4.33Å; M173-M182 HydrophobicContact SD-SD 4.08Å
174	Y	98.8	Very high	98.4	Very high	96 Å²	96	51.8 Å²	51.8	38%	0.376	23%	0.23	S	C	.	.	H	α-helix	trans	-60.3	-50.9	176	-178.9	-113.2	0	0	0	112.1	I170 Y172 H176 K177 Y179 I202	I170-Y174 PolarHBondContact O-N 2.74Å; Y172-Y174 VanDerWaalsContact C-N 3.28Å; Y172-Y174 PolarHBondContact O-N 3.04Å; Y174-H176 VanDerWaalsContact C-N 3.27Å; Y174-H176 PolarHBondContact O-N 3.13Å; Y174-K177 PolarHBondContact O-N 3.38Å; Y174-K177 VanDerWaalsContact O-N 3.11Å; Y174-Y179 WeakPolarHBondContact CB-OH 3.28Å; Y174-I202 HydrophobicContact CD1-CB 4.27Å; Y174-I202 HydrophobicContact CD1-CG2 3.84Å; Y174-I202 HydrophobicContact CD2-CB 3.92Å; Y174-I202 HydrophobicContact CD2-CG2 4.36Å; Y174-I202 WeakPolarHBondContact CD2-O 3.34Å; Y174-I202 HydrophobicContact CE1-CB 4.49Å; Y174-I202 HydrophobicContact CE1-CG2 3.92Å; Y174-I202 HydrophobicContact CE2-CB 4.17Å; Y174-I202 HydrophobicContact CE2-CG2 4.45Å; Y174-I202 HydrophobicContact CG-CB 3.97Å; Y174-I202 HydrophobicContact CG-CG2 4.07Å
175	K	98.7	Very high	98.6	Very high	165 Å²	165	47.9 Å²	47.9	72%	0.717	21%	0.213	S	C	*	.	H	α-helix	trans	-63.2	-33.3	-179.6	-76	-177.9	178.6	177.4	0	112.7	H171 Y172 K177	H171-K175 WeakPolarHBondContact O-CG 3.47Å; H171-K175 PolarHBondContact O-N 2.94Å; Y172-K175 PolarHBondContact O-N 3.06Å; Y172-K175 VanDerWaalsContact O-N 3.17Å; K175-K177 VanDerWaalsContact C-N 3.28Å
176	H	98.8	Very high	98.6	Very high	104 Å²	104	45.2 Å²	45.2	48%	0.481	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	7	179.2	-64.7	81.3	0	0	0	113	Y172 M173 Y174 M178	Y172-H176 AromaticContact CD1-ND1 3.67Å; Y172-H176 AromaticContact CD2-CE1 3.35Å; Y172-H176 WeakPolarHBondContact CD2-CE1 3.37Å; Y172-H176 AromaticContact CD2-ND1 3.58Å; Y172-H176 HydrophobicContact CE1-CB 4.3Å; Y172-H176 AromaticContact CE1-CG 3.84Å; Y172-H176 AromaticContact CE1-ND1 3.63Å; Y172-H176 AromaticContact CE2-CE1 3.12Å; Y172-H176 WeakPolarHBondContact CE2-CE1 3.26Å; Y172-H176 AromaticContact CE2-ND1 3.56Å; Y172-H176 AromaticContact CE2-NE2 3.62Å; Y172-H176 AromaticContact CG-CE1 3.9Å; Y172-H176 AromaticContact CG-ND1 3.63Å; Y172-H176 AromaticContact CZ-CD2 3.91Å; Y172-H176 AromaticContact CZ-CE1 3.49Å; Y172-H176 VanDerWaalsContact CZ-CE1 3.49Å; Y172-H176 AromaticContact CZ-CG 3.83Å; Y172-H176 AromaticContact CZ-ND1 3.57Å; Y172-H176 AromaticContact CZ-NE2 3.73Å; Y172-H176 PolarHBondContact O-N 2.96Å; Y172-H176 PolarHBondContact O-ND1 2.86Å; M173-H176 PolarHBondContact O-N 2.99Å; Y174-H176 VanDerWaalsContact C-N 3.27Å; Y174-H176 PolarHBondContact O-N 3.13Å; H176-M178 HydrophobicContact CB-CG 3.94Å; H176-M178 HydrophobicContact CB-SD 4.4Å; H176-M178 PolarHBondContact O-N 3.08Å
177	K	98.6	Very high	98.6	Very high	142 Å²	142	45.1 Å²	45.1	62%	0.617	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	41.3	177.9	-53.2	-179.6	178.7	179.4	0	112.5	G136 P137 M173 Y174 K175 Y179	G136-K177 CarbonylContact C-O 3.43Å; G136-K177 VanDerWaalsContact C-O 3.23Å; P137-K177 VanDerWaalsContact CA-O 3.29Å; P137-K177 WeakPolarHBondContact CA-O 3.42Å; P137-K177 HydrophobicContact CB-CB 4.1Å; P137-K177 WeakPolarHBondContact CD-O 3.39Å; P137-K177 HydrophobicContact CG-CB 3.82Å; P137-K177 HydrophobicContact CG-CD 4.49Å; P137-K177 WeakPolarHBondContact CG-O 3.48Å; M173-K177 PolarHBondContact O-N 2.81Å; M173-K177 VanDerWaalsContact O-N 3.13Å; Y174-K177 PolarHBondContact O-N 3.38Å; Y174-K177 VanDerWaalsContact O-N 3.11Å; K175-K177 VanDerWaalsContact C-N 3.28Å; K177-Y179 PolarHBondContact O-N 2.9Å
178	M	98.8	Very high	98.7	Very high	18 Å²	18	42.8 Å²	42.8	9%	0.089	19%	0.185	C	C	.	.			trans	-79.2	-2.7	-178.6	-63.3	-173.4	75.4	0	0	113.4	L117 R118 S135 G136 Y172 M173 H176	L117-M178 WeakPolarHBondContact O-CE 3.49Å; R118-M178 WeakPolarHBondContact O-CE 3.42Å; S135-M178 CarbonylContact C-O 3.57Å; S135-M178 WeakPolarHBondContact CB-O 3.12Å; S135-M178 WeakPolarHBondContact O-CA 3.45Å; S135-M178 PolarHBondContact OG-O 3.02Å; G136-M178 CarbonylContact O-C 3.5Å; Y172-M178 HydrophobicContact CD1-SD 4.24Å; Y172-M178 HydrophobicContact CE1-SD 4.01Å; M173-M178 HydrophobicContact CB-CB 4.12Å; M173-M178 HydrophobicContact CB-SD 4.23Å; M173-M178 HydrophobicContact CG-SD 3.93Å; M173-M178 PolarHBondContact O-N 2.73Å; H176-M178 HydrophobicContact CB-CG 3.94Å; H176-M178 HydrophobicContact CB-SD 4.4Å; H176-M178 PolarHBondContact O-N 3.08Å
179	Y	98.7	Very high	98.8	Very high	12 Å²	12	38 Å²	38	5%	0.047	16%	0.164	C	C	.	.			trans	-157.6	153.9	175.7	61.5	-90.3	0	0	0	110.9	G136 M173 Y174 K177 M182 I202 N203 V204	G136-Y179 WeakPolarHBondContact O-CA 3.36Å; G136-Y179 PolarHBondContact O-N 2.89Å; M173-Y179 HydrophobicContact CB-CD1 3.95Å; M173-Y179 HydrophobicContact CB-CE1 3.65Å; M173-Y179 HydrophobicContact CE-CD1 4.27Å; Y174-Y179 WeakPolarHBondContact CB-OH 3.28Å; K177-Y179 PolarHBondContact O-N 2.9Å; Y179-M182 HydrophobicContact CD1-CB 4.37Å; Y179-M182 HydrophobicContact CD1-CE 4.03Å; Y179-M182 HydrophobicContact CD1-SD 4.24Å; Y179-M182 HydrophobicContact CD2-CB 3.72Å; Y179-M182 HydrophobicContact CE1-CE 3.48Å; Y179-M182 VanDerWaalsContact CE1-CE 3.48Å; Y179-M182 HydrophobicContact CE1-SD 4.29Å; Y179-M182 HydrophobicContact CE2-CB 3.92Å; Y179-M182 HydrophobicContact CE2-CE 4.34Å; Y179-M182 HydrophobicContact CG-CB 3.97Å; Y179-I202 VanDerWaalsContact CE2-O 3.3Å; Y179-I202 WeakPolarHBondContact CE2-O 3.29Å; Y179-I202 PolarHBondContact OH-O 3.19Å; Y179-N203 HydrophobicContact CE2-CB 4.07Å; Y179-V204 HydrophobicContact CE2-CG2 4.04Å; Y179-V204 VanDerWaalsContact OH-CG2 3.22Å; Y179-V204 WeakPolarHBondContact OH-CG2 3.33Å
180	R	98.1	Very high	98.8	Very high	47 Å²	47	37.8 Å²	37.8	18%	0.177	16%	0.162	C	C	.	.	S	Bend	trans	-83.1	-47.4	163.9	-175.3	-173	160.3	98.8	10.9	110.6	D22 E24 P137 D139 N203	D22-R180 IonicContact OD1-NH2 3.8Å; D22-R180 IonicContact OD2-CZ 3.33Å; D22-R180 IonicContact OD2-NH2 2.93Å; D22-R180 PolarHBondContact OD2-NH2 2.74Å; D22-R180 VanDerWaalsContact OD2-NH2 3.16Å; E24-R180 VanDerWaalsContact CB-CZ 3.49Å; E24-R180 PolarHBondContact O-NH1 3.36Å; E24-R180 IonicContact OE2-CZ 3.56Å; E24-R180 VanDerWaalsContact OE2-CZ 3.26Å; E24-R180 IonicContact OE2-NH1 2.76Å; E24-R180 PolarHBondContact OE2-NH1 3.3Å; E24-R180 IonicContact OE2-NH2 3.72Å; E24-R180 PolarHBondContact OE2-NH2 2.94Å; P137-R180 WeakPolarHBondContact O-CB 3.5Å; D139-R180 WeakPolarHBondContact O-CB 3.35Å; D139-R180 PolarHBondContact O-N 2.99Å; R180-N203 WeakPolarHBondContact O-CB 3.22Å
181	K	98.7	Very high	98.8	Very high	40 Å²	40	37.7 Å²	37.7	17%	0.174	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	141.1	177.8	-55.8	-67.6	173.1	-178.2	0	109.5	H140 V141 N203 I275 M278 F283	H140-K181 WeakPolarHBondContact CA-O 3.37Å; V141-K181 PolarHBondContact N-O 2.97Å; K181-N203 HydrophobicContact CD-CB 4.21Å; K181-N203 PolarHBondContact NZ-OD1 3.49Å; K181-I275 HydrophobicContact CD-CD1 3.85Å; K181-I275 HydrophobicContact CD-CG1 3.97Å; K181-M278 HydrophobicContact CB-SD 4.45Å; K181-M278 HydrophobicContact CD-SD 4.27Å; K181-M278 HydrophobicContact CG-CE 4.1Å; K181-M278 HydrophobicContact CG-SD 3.87Å; K181-F283 HydrophobicContact CB-CE1 3.93Å; K181-F283 HydrophobicContact CB-CZ 3.71Å
182	M	98.9	Very high	98.8	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	137.5	176.9	-178.2	165	57	0	0	110.7	V141 I170 M173 Y179 F184 N203 V204 Y205	V141-M182 HydrophobicContact CB-CB 4.32Å; V141-M182 HydrophobicContact CB-CG 4Å; V141-M182 HydrophobicContact CB-SD 4.3Å; V141-M182 HydrophobicContact CG1-CG 4.18Å; V141-M182 HydrophobicContact CG1-SD 4.14Å; V141-M182 CarbonylContact O-C 3.53Å; V141-M182 VanDerWaalsContact O-CA 3.23Å; V141-M182 WeakPolarHBondContact O-CA 3.14Å; I170-M182 HydrophobicContact CB-CE 4.43Å; I170-M182 HydrophobicContact CG1-CE 4.15Å; I170-M182 HydrophobicContact CG2-CE 3.89Å; M173-M182 HydrophobicContact CE-SD 3.76Å; M173-M182 HydrophobicContact SD-CE 4.33Å; M173-M182 HydrophobicContact SD-SD 4.08Å; Y179-M182 HydrophobicContact CD1-CB 4.37Å; Y179-M182 HydrophobicContact CD1-CE 4.03Å; Y179-M182 HydrophobicContact CD1-SD 4.24Å; Y179-M182 HydrophobicContact CD2-CB 3.72Å; Y179-M182 HydrophobicContact CE1-CE 3.48Å; Y179-M182 VanDerWaalsContact CE1-CE 3.48Å; Y179-M182 HydrophobicContact CE1-SD 4.29Å; Y179-M182 HydrophobicContact CE2-CB 3.92Å; Y179-M182 HydrophobicContact CE2-CE 4.34Å; Y179-M182 HydrophobicContact CG-CB 3.97Å; M182-F184 HydrophobicContact CE-CE2 3.72Å; M182-F184 HydrophobicContact CE-CZ 4.49Å; M182-F184 HydrophobicContact CG-CD2 4.14Å; M182-F184 HydrophobicContact CG-CE2 3.79Å; M182-F184 HydrophobicContact SD-CE2 3.59Å; M182-F184 VanDerWaalsContact SD-CE2 3.59Å; M182-F184 HydrophobicContact SD-CZ 4.14Å; M182-N203 PolarHBondContact N-O 3.37Å; M182-V204 HydrophobicContact CB-CG1 4.49Å; M182-V204 HydrophobicContact CB-CG2 4.29Å; M182-V204 HydrophobicContact CE-CG1 4.24Å; M182-V204 HydrophobicContact CE-CG2 3.55Å; M182-V204 CarbonylContact O-C 3.5Å; M182-V204 VanDerWaalsContact O-CA 3.32Å; M182-V204 WeakPolarHBondContact O-CA 3.3Å; M182-Y205 PolarHBondContact O-N 3.46Å
183	V	98.9	Very high	98.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.4	179	174.3	0	0	0	0	109.9	V141 F142 V143 Y185 Y205 L251 I275 F283	V141-V183 PolarHBondContact O-N 3.01Å; F142-V183 CarbonylContact C-O 3.53Å; F142-V183 WeakPolarHBondContact CA-O 3.5Å; F142-V183 HydrophobicContact CD2-CB 4.07Å; F142-V183 HydrophobicContact CD2-CG1 3.91Å; F142-V183 HydrophobicContact CE2-CG1 4.07Å; V143-V183 PolarHBondContact N-O 2.73Å; V183-Y185 HydrophobicContact CG1-CD1 3.9Å; V183-Y185 HydrophobicContact CG1-CE1 3.72Å; V183-Y205 CarbonylContact C-O 3.59Å; V183-Y205 VanDerWaalsContact CA-O 3.23Å; V183-Y205 WeakPolarHBondContact CA-O 3.37Å; V183-Y205 HydrophobicContact CG1-CD1 4.26Å; V183-Y205 HydrophobicContact CG2-CD1 4.32Å; V183-L251 HydrophobicContact CG2-CD1 3.79Å; V183-I275 HydrophobicContact CG2-CG2 4.12Å; V183-F283 HydrophobicContact CB-CD1 3.9Å; V183-F283 HydrophobicContact CB-CE1 4.13Å; V183-F283 HydrophobicContact CB-CG 4.33Å; V183-F283 HydrophobicContact CG2-CD1 3.56Å; V183-F283 HydrophobicContact CG2-CD2 4.12Å; V183-F283 HydrophobicContact CG2-CE1 3.39Å; V183-F283 HydrophobicContact CG2-CE2 3.97Å; V183-F283 HydrophobicContact CG2-CG 3.93Å; V183-F283 HydrophobicContact CG2-CZ 3.6Å
184	F	98.9	Very high	98.7	Very high	3 Å²	3	31 Å²	31	1%	0.013	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	125.5	173.5	-82.9	-95.7	0	0	0	111.5	V143 L166 I170 M182 I186 M195 V204 Y205 A206 T207	V143-F184 HydrophobicContact CB-CD1 3.61Å; V143-F184 HydrophobicContact CB-CE1 3.54Å; V143-F184 HydrophobicContact CB-CG 4.17Å; V143-F184 HydrophobicContact CB-CZ 4.04Å; V143-F184 HydrophobicContact CG1-CD1 3.76Å; V143-F184 HydrophobicContact CG1-CE1 3.49Å; V143-F184 VanDerWaalsContact CG1-CE1 3.49Å; V143-F184 HydrophobicContact CG1-CZ 4.29Å; V143-F184 HydrophobicContact CG2-CD1 4.35Å; V143-F184 HydrophobicContact CG2-CE1 3.88Å; V143-F184 HydrophobicContact CG2-CE2 4.33Å; V143-F184 HydrophobicContact CG2-CZ 3.86Å; V143-F184 CarbonylContact O-C 3.37Å; V143-F184 VanDerWaalsContact O-CA 3.31Å; V143-F184 WeakPolarHBondContact O-CA 3.47Å; L166-F184 HydrophobicContact CD1-CE1 4.31Å; L166-F184 HydrophobicContact CD1-CZ 4.41Å; I170-F184 HydrophobicContact CD1-CE2 3.83Å; I170-F184 HydrophobicContact CD1-CZ 3.92Å; I170-F184 HydrophobicContact CG1-CE2 4.06Å; I170-F184 HydrophobicContact CG1-CZ 4.03Å; M182-F184 HydrophobicContact CE-CE2 3.72Å; M182-F184 HydrophobicContact CE-CZ 4.49Å; M182-F184 HydrophobicContact CG-CD2 4.14Å; M182-F184 HydrophobicContact CG-CE2 3.79Å; M182-F184 HydrophobicContact SD-CE2 3.59Å; M182-F184 VanDerWaalsContact SD-CE2 3.59Å; M182-F184 HydrophobicContact SD-CZ 4.14Å; F184-I186 HydrophobicContact CB-CG1 4.47Å; F184-M195 HydrophobicContact CB-CE 3.9Å; F184-M195 HydrophobicContact CD1-CE 3.69Å; F184-M195 HydrophobicContact CD2-CE 4.05Å; F184-M195 HydrophobicContact CE1-CE 4.19Å; F184-M195 HydrophobicContact CG-CE 3.61Å; F184-V204 HydrophobicContact CD2-CG1 3.87Å; F184-V204 HydrophobicContact CE2-CG1 4.22Å; F184-Y205 PolarHBondContact N-O 2.83Å; F184-A206 HydrophobicContact CB-CB 3.91Å; F184-A206 CarbonylContact O-C 3.58Å; F184-A206 VanDerWaalsContact O-CA 3.23Å; F184-A206 WeakPolarHBondContact O-CA 3.17Å; F184-T207 PolarHBondContact O-N 3.03Å
185	Y	98.9	Very high	98.7	Very high	3 Å²	3	26.6 Å²	26.6	1%	0.012	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.3	164.5	-78.2	13.6	0	0	0	108.3	F142 V143 Y144 F145 V183 T207 Y233 W237 Q254	F142-Y185 AromaticContact CE2-CD1 3.94Å; F142-Y185 HydrophobicContact CE2-CD1 3.94Å; F142-Y185 AromaticContact CE2-CD2 3.87Å; F142-Y185 HydrophobicContact CE2-CD2 3.87Å; F142-Y185 HydrophobicContact CE2-CE1 4.4Å; F142-Y185 HydrophobicContact CE2-CE2 4.32Å; F142-Y185 AromaticContact CE2-CG 3.68Å; F142-Y185 HydrophobicContact CE2-CG 3.68Å; F142-Y185 AromaticContact CZ-CD2 3.76Å; F142-Y185 HydrophobicContact CZ-CD2 3.76Å; F142-Y185 HydrophobicContact CZ-CE2 4.34Å; F142-Y185 AromaticContact CZ-CG 3.93Å; F142-Y185 HydrophobicContact CZ-CG 3.93Å; V143-Y185 PolarHBondContact O-N 3.26Å; Y144-Y185 WeakPolarHBondContact CA-O 3.31Å; F145-Y185 PolarHBondContact N-O 2.83Å; V183-Y185 HydrophobicContact CG1-CD1 3.9Å; V183-Y185 HydrophobicContact CG1-CE1 3.72Å; Y185-T207 HydrophobicContact CD1-CG2 4.38Å; Y185-T207 WeakPolarHBondContact CD1-OG1 3.43Å; Y185-T207 HydrophobicContact CE1-CG2 3.92Å; Y185-T207 VanDerWaalsContact CE1-OG1 3.25Å; Y185-T207 WeakPolarHBondContact CE1-OG1 3.31Å; Y185-Y233 VanDerWaalsContact CB-OH 3.31Å; Y185-Y233 WeakPolarHBondContact CB-OH 2.99Å; Y185-Y233 VanDerWaalsContact CG-OH 3.31Å; Y185-W237 AromaticContact CD2-CD2 3.79Å; Y185-W237 HydrophobicContact CD2-CD2 3.79Å; Y185-W237 HydrophobicContact CD2-CE3 4.19Å; Y185-W237 AromaticContact CD2-CG 3.95Å; Y185-W237 HydrophobicContact CD2-CG 3.95Å; Y185-W237 HydrophobicContact CE2-CB 4.26Å; Y185-W237 HydrophobicContact CE2-CD2 4.01Å; Y185-W237 HydrophobicContact CE2-CE3 4.12Å; Y185-W237 HydrophobicContact CE2-CG 4.08Å; Y185-Q254 PolarHBondContact OH-OE1 3.48Å
186	I	98.9	Very high	98.6	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	107	-174.9	-52.7	-178.3	0	0	0	109.9	F145 L154 F184 A188 M194 M195 T207 T208 A209	F145-I186 HydrophobicContact CD1-CG2 4.16Å; L154-I186 HydrophobicContact CD1-CG2 4.25Å; L154-I186 HydrophobicContact CD2-CG2 3.77Å; F184-I186 HydrophobicContact CB-CG1 4.47Å; I186-A188 HydrophobicContact CG2-CB 4.35Å; I186-M194 HydrophobicContact CD1-CB 4.28Å; I186-M195 HydrophobicContact CD1-CE 3.54Å; I186-M195 HydrophobicContact CD1-CG 3.84Å; I186-T207 PolarHBondContact N-O 2.82Å; I186-T207 VanDerWaalsContact N-O 3.09Å; I186-T208 HydrophobicContact CB-CG2 4.27Å; I186-T208 HydrophobicContact CD1-CG2 4.46Å; I186-T208 WeakPolarHBondContact O-CA 3.45Å; I186-A209 PolarHBondContact O-N 3.17Å
187	E	98.9	Very high	98.5	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	106.8	163.4	173.7	57.8	-91.3	0	0	108.9	Y144 F145 T146 D147 A209 S216 D231 Y233 S234	Y144-E187 HydrophobicContact CE2-CB 4.44Å; F145-E187 PolarHBondContact O-N 2.85Å; T146-E187 WeakPolarHBondContact CA-O 3.38Å; D147-E187 PolarHBondContact N-O 3.44Å; E187-A209 VanDerWaalsContact OE1-CB 3.3Å; E187-A209 WeakPolarHBondContact OE1-CB 3.46Å; E187-S216 WeakPolarHBondContact OE1-CB 3.18Å; E187-S216 PolarHBondContact OE1-OG 2.95Å; E187-D231 HydrophobicContact CG-CB 3.66Å; E187-D231 WeakPolarHBondContact OE2-CB 2.91Å; E187-Y233 HydrophobicContact CB-CD1 3.98Å; E187-Y233 HydrophobicContact CB-CE1 4.35Å; E187-Y233 WeakPolarHBondContact OE2-CB 3.19Å; E187-Y233 PolarHBondContact OE2-N 3.06Å; E187-S234 VanDerWaalsContact CB-OG 3.27Å; E187-S234 WeakPolarHBondContact CB-OG 3Å; E187-S234 VanDerWaalsContact CG-OG 3.28Å; E187-S234 WeakPolarHBondContact CG-OG 3.36Å
188	A	98.9	Very high	98.4	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.076	C	C	.	.	S	Bend	trans	-168.5	156.7	169	0	0	0	0	0	111.4	F145 D147 L154 I186 E190 S191	F145-A188 HydrophobicContact CE1-CB 4.43Å; D147-A188 WeakPolarHBondContact O-CA 3.43Å; D147-A188 WeakPolarHBondContact O-CB 3.28Å; L154-A188 HydrophobicContact CD2-CB 3.69Å; I186-A188 HydrophobicContact CG2-CB 4.35Å; A188-E190 PolarHBondContact O-N 2.93Å; A188-S191 WeakPolarHBondContact O-CB 3.46Å; A188-S191 PolarHBondContact O-N 2.86Å; A188-S191 PolarHBondContact O-OG 3.05Å
189	C	98.7	Very high	98.3	Very high	3 Å²	3	17 Å²	17	2%	0.02	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	136.6	165.1	-67.4	0	0	0	0	110	G149 S191 S215 S216	G149-C189 CarbonylContact C-O 3.57Å; G149-C189 VanDerWaalsContact C-O 3.23Å; G149-C189 WeakPolarHBondContact CA-O 3.36Å; G149-C189 WeakPolarHBondContact O-CB 3.48Å; C189-S191 PolarHBondContact O-N 3.42Å; C189-S215 VanDerWaalsContact SG-CA 3.58Å; C189-S216 PolarHBondContact N-OG 3.36Å; C189-S216 PolarHBondContact SG-N 2.93Å
190	E	98.8	Very high	98.3	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.2	18.9	178	-63.7	157.6	-140.7	0	0	114.2	T151 A188 G192 S193 N211 E214 R403	T151-E190 PolarHBondContact N-OE2 3.13Å; T151-E190 PolarHBondContact OG1-OE2 3.39Å; A188-E190 PolarHBondContact O-N 2.93Å; E190-G192 PolarHBondContact O-N 3.35Å; E190-G192 VanDerWaalsContact O-N 3.07Å; E190-S193 VanDerWaalsContact O-CB 3.22Å; E190-S193 WeakPolarHBondContact O-CB 3.23Å; E190-S193 PolarHBondContact O-N 2.82Å; E190-S193 PolarHBondContact O-OG 2.82Å; E190-N211 WeakPolarHBondContact CA-O 3.28Å; E190-E214 PolarHBondContact N-O 2.7Å; E190-R403 IonicContact OE1-CZ 3.49Å; E190-R403 VanDerWaalsContact OE1-CZ 3.22Å; E190-R403 IonicContact OE1-NH1 3.41Å; E190-R403 PolarHBondContact OE1-NH1 3.32Å; E190-R403 IonicContact OE1-NH2 2.81Å; E190-R403 PolarHBondContact OE1-NH2 3.08Å
191	S	98.9	Very high	98.3	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-29.3	-175.9	43.2	0	0	0	0	113.9	A188 C189 S193 M194 T208 A209 A210	A188-S191 WeakPolarHBondContact O-CB 3.46Å; A188-S191 PolarHBondContact O-N 2.86Å; A188-S191 PolarHBondContact O-OG 3.05Å; C189-S191 PolarHBondContact O-N 3.42Å; S191-S193 PolarHBondContact O-N 2.89Å; S191-S193 VanDerWaalsContact O-N 3.13Å; S191-M194 VanDerWaalsContact O-CB 3.32Å; S191-M194 WeakPolarHBondContact O-CB 3.43Å; S191-M194 PolarHBondContact O-N 3.37Å; S191-T208 WeakPolarHBondContact OG-CB 3.47Å; S191-A209 PolarHBondContact OG-N 3.03Å; S191-A210 PolarHBondContact OG-N 2.85Å; S191-A210 VanDerWaalsContact OG-N 3.16Å; S191-A210 PolarHBondContact OG-O 3.17Å
192	G	98.7	Very high	98.2	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-57	-26.1	172.2	0	0	0	0	0	113.8	E190 M194 M195 N196 T208 A210 Y270	E190-G192 PolarHBondContact O-N 3.35Å; E190-G192 VanDerWaalsContact O-N 3.07Å; G192-M194 PolarHBondContact O-N 3.34Å; G192-M195 PolarHBondContact O-N 3.28Å; G192-N196 VanDerWaalsContact O-CB 3.27Å; G192-N196 WeakPolarHBondContact O-CB 3.41Å; G192-N196 PolarHBondContact O-N 3.04Å; G192-T208 WeakPolarHBondContact CA-OG1 3.19Å; G192-T208 PolarHBondContact N-OG1 2.84Å; G192-A210 WeakPolarHBondContact CA-O 3.45Å; G192-A210 PolarHBondContact N-O 3.22Å; G192-Y270 VanDerWaalsContact CA-OH 3.29Å; G192-Y270 WeakPolarHBondContact CA-OH 3.46Å; G192-Y270 PolarHBondContact O-OH 3.16Å
193	S	98.4	Very high	98.2	Very high	9 Å²	9	25 Å²	25	6%	0.063	13%	0.133	C	C	.	.	H	α-helix	trans	-69.1	-16.5	175.5	71.3	0	0	0	0	113.7	G152 E190 S191 N196	G152-S193 PolarHBondContact N-OG 2.82Å; E190-S193 VanDerWaalsContact O-CB 3.22Å; E190-S193 WeakPolarHBondContact O-CB 3.23Å; E190-S193 PolarHBondContact O-N 2.82Å; E190-S193 PolarHBondContact O-OG 2.82Å; S191-S193 PolarHBondContact O-N 2.89Å; S191-S193 VanDerWaalsContact O-N 3.13Å; S193-N196 PolarHBondContact O-OD1 3.17Å
194	M	98.6	Very high	98.2	Very high	8 Å²	8	25 Å²	25	4%	0.039	13%	0.133	C	C	.	.	H	α-helix	trans	-81	-23.2	176.3	-60.7	-58.8	-63.5	0	0	112.9	I153 L154 V163 L166 I186 S191 G192	I153-M194 VanDerWaalsContact C-SD 3.54Å; I153-M194 PolarHBondContact N-SD 3.48Å; I153-M194 VanDerWaalsContact N-SD 3.42Å; L154-M194 HydrophobicContact CD1-CE 4.09Å; L154-M194 HydrophobicContact CD1-CG 4.36Å; L154-M194 HydrophobicContact CD2-CG 3.92Å; L154-M194 HydrophobicContact CG-CE 3.82Å; L154-M194 HydrophobicContact CG-CG 3.86Å; L154-M194 HydrophobicContact CG-SD 4.07Å; V163-M194 VanDerWaalsContact CA-CE 3.49Å; V163-M194 HydrophobicContact CB-CE 3.79Å; V163-M194 HydrophobicContact CB-SD 3.81Å; V163-M194 HydrophobicContact CG2-CE 4.22Å; V163-M194 WeakPolarHBondContact CG2-O 3.4Å; V163-M194 HydrophobicContact CG2-SD 4.3Å; L166-M194 HydrophobicContact CD2-CE 3.88Å; I186-M194 HydrophobicContact CD1-CB 4.28Å; S191-M194 VanDerWaalsContact O-CB 3.32Å; S191-M194 WeakPolarHBondContact O-CB 3.43Å; S191-M194 PolarHBondContact O-N 3.37Å; G192-M194 PolarHBondContact O-N 3.34Å
195	M	98.4	Very high	98.2	Very high	2 Å²	2	24.9 Å²	24.9	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-127.6	-5.8	-168.5	-67	-64.4	176.7	0	0	114.2	L166 I170 F184 I186 G192 H197 L198 A206 T208 Y270	L166-M195 HydrophobicContact CD2-CE 3.97Å; I170-M195 HydrophobicContact CD1-CE 4.2Å; F184-M195 HydrophobicContact CB-CE 3.9Å; F184-M195 HydrophobicContact CD1-CE 3.69Å; F184-M195 HydrophobicContact CD2-CE 4.05Å; F184-M195 HydrophobicContact CE1-CE 4.19Å; F184-M195 HydrophobicContact CG-CE 3.61Å; I186-M195 HydrophobicContact CD1-CE 3.54Å; I186-M195 HydrophobicContact CD1-CG 3.84Å; G192-M195 PolarHBondContact O-N 3.28Å; M195-H197 PolarHBondContact O-N 3.26Å; M195-H197 VanDerWaalsContact O-N 3.13Å; M195-L198 WeakPolarHBondContact O-CB 3.39Å; M195-L198 PolarHBondContact O-N 2.77Å; M195-L198 HydrophobicContact SD-CB 4.37Å; M195-L198 HydrophobicContact SD-CD1 4.35Å; M195-L198 HydrophobicContact SD-CD2 4.03Å; M195-L198 HydrophobicContact SD-CG 4.5Å; M195-A206 HydrophobicContact CB-CB 4.15Å; M195-A206 HydrophobicContact CG-CB 3.79Å; M195-A206 HydrophobicContact SD-CB 3.97Å; M195-T208 HydrophobicContact CB-CG2 4.26Å; M195-T208 HydrophobicContact CG-CG2 4.22Å; M195-Y270 HydrophobicContact CB-CD2 3.45Å; M195-Y270 VanDerWaalsContact CB-CD2 3.45Å; M195-Y270 HydrophobicContact CB-CE2 4.03Å; M195-Y270 HydrophobicContact CB-CG 3.84Å; M195-Y270 WeakPolarHBondContact O-CB 3.44Å; M195-Y270 WeakPolarHBondContact O-CD1 3.21Å
196	N	96.6	Very high	98.2	Very high	64 Å²	64	24.8 Å²	24.8	34%	0.342	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.8	-179.7	62.6	-11.4	0	0	0	115.2	G192 S193 Y270	G192-N196 VanDerWaalsContact O-CB 3.27Å; G192-N196 WeakPolarHBondContact O-CB 3.41Å; G192-N196 PolarHBondContact O-N 3.04Å; S193-N196 PolarHBondContact O-OD1 3.17Å; N196-Y270 HydrophobicContact CB-CD1 4.46Å; N196-Y270 HydrophobicContact CB-CE1 3.86Å
197	H	96.1	Very high	98.2	Very high	105 Å²	105	24.9 Å²	24.9	49%	0.486	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	9.6	174	-60.7	95.2	0	0	0	113.3	M195 P199	M195-H197 PolarHBondContact O-N 3.26Å; M195-H197 VanDerWaalsContact O-N 3.13Å; H197-P199 WeakPolarHBondContact O-CD 3.43Å
198	L	97.1	Very high	98.2	Very high	21 Å²	21	24.8 Å²	24.8	11%	0.11	13%	0.132	C	C	.	.			trans	-65.9	121.6	177	-176.9	73.5	0	0	0	109.9	I170 M195 I202 V204 A206	I170-L198 HydrophobicContact CD1-CD1 4.26Å; I170-L198 HydrophobicContact CG2-CD1 4.28Å; M195-L198 WeakPolarHBondContact O-CB 3.39Å; M195-L198 PolarHBondContact O-N 2.77Å; M195-L198 HydrophobicContact SD-CB 4.37Å; M195-L198 HydrophobicContact SD-CD1 4.35Å; M195-L198 HydrophobicContact SD-CD2 4.03Å; M195-L198 HydrophobicContact SD-CG 4.5Å; L198-I202 HydrophobicContact CD1-CD1 3.92Å; L198-V204 HydrophobicContact CD1-CB 4.27Å; L198-V204 HydrophobicContact CD1-CG1 4.21Å; L198-V204 HydrophobicContact CD2-CB 4.04Å; L198-V204 HydrophobicContact CD2-CG1 3.74Å; L198-A206 HydrophobicContact CD2-CB 4.13Å
199	P	96.8	Very high	98.2	Very high	37 Å²	37	24.8 Å²	24.8	24%	0.24	13%	0.132	C	C	.	.			trans	-69.9	149.9	179.1	23.5	-26.4	0	0	0	111.8	H197 I202	H197-P199 WeakPolarHBondContact O-CD 3.43Å; P199-I202 HydrophobicContact CG-CD1 3.76Å; P199-I202 HydrophobicContact CG-CG1 3.93Å; P199-I202 HydrophobicContact CG-CG2 4.12Å; P199-I202 WeakPolarHBondContact O-CG1 3.36Å
200	D	97.3	Very high	98.2	Very high	108 Å²	108	24.7 Å²	24.7	58%	0.578	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-3	-176.9	64.4	-5	0	0	0	114	N272	D200-N272 WeakPolarHBondContact O-CB 3.23Å; D200-N272 PolarHBondContact O-ND2 2.95Å; D200-N272 VanDerWaalsContact O-ND2 3.14Å
201	N	97.8	Very high	98.2	Very high	109 Å²	109	26.1 Å²	26.1	58%	0.583	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.8	14.5	-174.6	69.3	-11.7	0	0	0	114.3
202	I	98.5	Very high	98.2	Very high	4 Å²	4	27.7 Å²	27.7	2%	0.021	15%	0.149	C	C	.	.	S	Bend	trans	-114.5	17.8	-178.8	59.3	161.8	0	0	0	113.9	I170 Y174 Y179 L198 P199 V204	I170-I202 HydrophobicContact CG2-CD1 3.63Å; Y174-I202 HydrophobicContact CD1-CB 4.27Å; Y174-I202 HydrophobicContact CD1-CG2 3.84Å; Y174-I202 HydrophobicContact CD2-CB 3.92Å; Y174-I202 HydrophobicContact CD2-CG2 4.36Å; Y174-I202 WeakPolarHBondContact CD2-O 3.34Å; Y174-I202 HydrophobicContact CE1-CB 4.49Å; Y174-I202 HydrophobicContact CE1-CG2 3.92Å; Y174-I202 HydrophobicContact CE2-CB 4.17Å; Y174-I202 HydrophobicContact CE2-CG2 4.45Å; Y174-I202 HydrophobicContact CG-CB 3.97Å; Y174-I202 HydrophobicContact CG-CG2 4.07Å; Y179-I202 VanDerWaalsContact CE2-O 3.3Å; Y179-I202 WeakPolarHBondContact CE2-O 3.29Å; Y179-I202 PolarHBondContact OH-O 3.19Å; L198-I202 HydrophobicContact CD1-CD1 3.92Å; P199-I202 HydrophobicContact CG-CD1 3.76Å; P199-I202 HydrophobicContact CG-CG1 3.93Å; P199-I202 HydrophobicContact CG-CG2 4.12Å; P199-I202 WeakPolarHBondContact O-CG1 3.36Å; I202-V204 VanDerWaalsContact C-N 3.27Å; I202-V204 HydrophobicContact CD1-CB 4.36Å; I202-V204 HydrophobicContact CD1-CG2 3.77Å; I202-V204 HydrophobicContact CG1-CB 4.31Å; I202-V204 HydrophobicContact CG1-CG2 3.89Å; I202-V204 PolarHBondContact O-N 3.25Å
203	N	98.6	Very high	98.2	Very high	48 Å²	48	35.3 Å²	35.3	26%	0.257	18%	0.178	S	C	.	.	S	Bend	trans	57.4	34.6	179.2	-67.2	-50.2	0	0	0	114.8	Y179 R180 K181 M182 I275	Y179-N203 HydrophobicContact CE2-CB 4.07Å; R180-N203 WeakPolarHBondContact O-CB 3.22Å; K181-N203 HydrophobicContact CD-CB 4.21Å; K181-N203 PolarHBondContact NZ-OD1 3.49Å; M182-N203 PolarHBondContact N-O 3.37Å; N203-I275 VanDerWaalsContact O-CD1 3.27Å; N203-I275 WeakPolarHBondContact O-CD1 3.41Å
204	V	98.9	Very high	98.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	136.9	173.7	-171.1	0	0	0	0	109.7	I170 Y179 M182 F184 L198 I202 G271 N272	I170-V204 HydrophobicContact CG2-CG2 3.92Å; Y179-V204 HydrophobicContact CE2-CG2 4.04Å; Y179-V204 VanDerWaalsContact OH-CG2 3.22Å; Y179-V204 WeakPolarHBondContact OH-CG2 3.33Å; M182-V204 HydrophobicContact CB-CG1 4.49Å; M182-V204 HydrophobicContact CB-CG2 4.29Å; M182-V204 HydrophobicContact CE-CG1 4.24Å; M182-V204 HydrophobicContact CE-CG2 3.55Å; M182-V204 CarbonylContact O-C 3.5Å; M182-V204 VanDerWaalsContact O-CA 3.32Å; M182-V204 WeakPolarHBondContact O-CA 3.3Å; F184-V204 HydrophobicContact CD2-CG1 3.87Å; F184-V204 HydrophobicContact CE2-CG1 4.22Å; L198-V204 HydrophobicContact CD1-CB 4.27Å; L198-V204 HydrophobicContact CD1-CG1 4.21Å; L198-V204 HydrophobicContact CD2-CB 4.04Å; L198-V204 HydrophobicContact CD2-CG1 3.74Å; I202-V204 VanDerWaalsContact C-N 3.27Å; I202-V204 HydrophobicContact CD1-CB 4.36Å; I202-V204 HydrophobicContact CD1-CG2 3.77Å; I202-V204 HydrophobicContact CG1-CB 4.31Å; I202-V204 HydrophobicContact CG1-CG2 3.89Å; I202-V204 PolarHBondContact O-N 3.25Å; V204-G271 CarbonylContact O-C 3.59Å; V204-G271 WeakPolarHBondContact O-CA 3.23Å; V204-N272 PolarHBondContact O-N 3.34Å
205	Y	98.9	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	141.6	168.5	174	-111.8	0	0	0	108.8	M182 V183 F184 T207 L251 Q269 Y270	M182-Y205 PolarHBondContact O-N 3.46Å; V183-Y205 CarbonylContact C-O 3.59Å; V183-Y205 VanDerWaalsContact CA-O 3.23Å; V183-Y205 WeakPolarHBondContact CA-O 3.37Å; V183-Y205 HydrophobicContact CG1-CD1 4.26Å; V183-Y205 HydrophobicContact CG2-CD1 4.32Å; F184-Y205 PolarHBondContact N-O 2.83Å; Y205-T207 HydrophobicContact CE1-CG2 3.64Å; Y205-T207 WeakPolarHBondContact OH-CG2 3.29Å; Y205-L251 HydrophobicContact CD1-CD1 4.38Å; Y205-L251 HydrophobicContact CE1-CB 4.33Å; Y205-Q269 HydrophobicContact CE2-CB 3.9Å; Y205-Q269 PolarHBondContact OH-OE1 3.06Å; Y205-Y270 WeakPolarHBondContact CD2-O 3.24Å
206	A	98.9	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	146.2	178.7	0	0	0	0	0	111	F184 M195 L198 Q269 Y270	F184-A206 HydrophobicContact CB-CB 3.91Å; F184-A206 CarbonylContact O-C 3.58Å; F184-A206 VanDerWaalsContact O-CA 3.23Å; F184-A206 WeakPolarHBondContact O-CA 3.17Å; M195-A206 HydrophobicContact CB-CB 4.15Å; M195-A206 HydrophobicContact CG-CB 3.79Å; M195-A206 HydrophobicContact SD-CB 3.97Å; L198-A206 HydrophobicContact CD2-CB 4.13Å; A206-Q269 CarbonylContact O-C 3.23Å; A206-Q269 WeakPolarHBondContact O-CA 3.32Å; A206-Y270 PolarHBondContact N-O 3.49Å; A206-Y270 PolarHBondContact O-N 3.24Å
207	T	98.9	Very high	98.2	Very high	3 Å²	3	36.8 Å²	36.8	2%	0.018	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	146.1	164	73.3	0	0	0	0	109.8	F184 Y185 I186 Y205 Y233 Y255 M268 Q269	F184-T207 PolarHBondContact O-N 3.03Å; Y185-T207 HydrophobicContact CD1-CG2 4.38Å; Y185-T207 WeakPolarHBondContact CD1-OG1 3.43Å; Y185-T207 HydrophobicContact CE1-CG2 3.92Å; Y185-T207 VanDerWaalsContact CE1-OG1 3.25Å; Y185-T207 WeakPolarHBondContact CE1-OG1 3.31Å; I186-T207 PolarHBondContact N-O 2.82Å; I186-T207 VanDerWaalsContact N-O 3.09Å; Y205-T207 HydrophobicContact CE1-CG2 3.64Å; Y205-T207 WeakPolarHBondContact OH-CG2 3.29Å; T207-Y233 PolarHBondContact OG1-OH 2.86Å; T207-Y255 HydrophobicContact CG2-CD2 3.98Å; T207-Y255 HydrophobicContact CG2-CG 4.5Å; T207-M268 WeakPolarHBondContact CA-O 3.45Å; T207-Q269 HydrophobicContact CG2-CB 4.45Å
208	T	98.9	Very high	98.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	142	-177.1	69.2	0	0	0	0	110.1	I186 S191 G192 M195 A210 V267 M268 Y270	I186-T208 HydrophobicContact CB-CG2 4.27Å; I186-T208 HydrophobicContact CD1-CG2 4.46Å; I186-T208 WeakPolarHBondContact O-CA 3.45Å; S191-T208 WeakPolarHBondContact OG-CB 3.47Å; G192-T208 WeakPolarHBondContact CA-OG1 3.19Å; G192-T208 PolarHBondContact N-OG1 2.84Å; M195-T208 HydrophobicContact CB-CG2 4.26Å; M195-T208 HydrophobicContact CG-CG2 4.22Å; T208-A210 PolarHBondContact O-N 3.25Å; T208-A210 PolarHBondContact OG1-O 2.94Å; T208-V267 VanDerWaalsContact O-CA 3.3Å; T208-V267 WeakPolarHBondContact O-CA 3.49Å; T208-V267 WeakPolarHBondContact O-CG1 3.21Å; T208-M268 PolarHBondContact N-O 2.78Å; T208-M268 VanDerWaalsContact N-O 3.09Å; T208-M268 PolarHBondContact O-N 2.7Å; T208-M268 WeakPolarHBondContact OG1-CB 3.35Å; T208-Y270 HydrophobicContact CG2-CD2 4.11Å; T208-Y270 HydrophobicContact CG2-CE2 3.81Å
209	A	98.9	Very high	98.5	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.153	C	C	.	.	S	Bend	trans	-60.5	-33.7	-178.6	0	0	0	0	0	113.2	I186 E187 S191 Y233 S265	I186-A209 PolarHBondContact O-N 3.17Å; E187-A209 VanDerWaalsContact OE1-CB 3.3Å; E187-A209 WeakPolarHBondContact OE1-CB 3.46Å; S191-A209 PolarHBondContact OG-N 3.03Å; A209-Y233 HydrophobicContact CB-CD1 3.68Å; A209-Y233 HydrophobicContact CB-CD2 4.15Å; A209-Y233 HydrophobicContact CB-CE1 4.43Å; A209-Y233 HydrophobicContact CB-CG 3.52Å; A209-S265 WeakPolarHBondContact O-CB 3.31Å; A209-S265 PolarHBondContact O-OG 3.23Å
210	A	98.9	Very high	98.6	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	14%	0.143	C	C	.	.	S	Bend	trans	-133.3	156.1	-174.6	0	0	0	0	0	111.5	S191 G192 T208 E214 H266	S191-A210 PolarHBondContact OG-N 2.85Å; S191-A210 VanDerWaalsContact OG-N 3.16Å; S191-A210 PolarHBondContact OG-O 3.17Å; G192-A210 WeakPolarHBondContact CA-O 3.45Å; G192-A210 PolarHBondContact N-O 3.22Å; T208-A210 PolarHBondContact O-N 3.25Å; T208-A210 PolarHBondContact OG1-O 2.94Å; A210-E214 HydrophobicContact CB-CG 3.67Å; A210-H266 CarbonylContact C-O 3.58Å
211	N	98.8	Very high	98.6	Very high	30 Å²	30	24.9 Å²	24.9	16%	0.16	12%	0.118	C	C	.	.			trans	-70.7	172.6	165.1	77.1	42.1	0	0	0	111	E190 R213 E214 H266 M268	E190-N211 WeakPolarHBondContact CA-O 3.28Å; N211-R213 PolarHBondContact O-N 3.06Å; N211-R213 WeakPolarHBondContact OD1-CA 3.49Å; N211-R213 PolarHBondContact OD1-N 3.09Å; N211-E214 WeakPolarHBondContact CB-OE1 3.38Å; N211-E214 PolarHBondContact N-OE1 2.72Å; N211-E214 PolarHBondContact ND2-OE1 3.43Å; N211-E214 PolarHBondContact ND2-OE2 3.07Å; N211-E214 VanDerWaalsContact ND2-OE2 3.1Å; N211-E214 PolarHBondContact OD1-N 3.1Å; N211-H266 HydrophobicContact CB-CB 4.18Å; N211-H266 PolarHBondContact N-O 3.22Å; N211-H266 PolarHBondContact ND2-ND1 2.75Å; N211-M268 HydrophobicContact CB-CG 3.98Å; N211-M268 HydrophobicContact CB-SD 4.03Å
212	P	98.4	Very high	98.6	Very high	34 Å²	34	20.9 Å²	20.9	22%	0.221	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64	2.1	-176.7	-23.4	33.8	0	0	0	117.2
213	R	97.9	Very high	98.5	Very high	159 Å²	159	25 Å²	25	60%	0.6	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-133.8	1.4	-167.1	-57.5	-176.1	173.7	-176.1	-7.8	114.6	N211 R370	N211-R213 PolarHBondContact O-N 3.06Å; N211-R213 WeakPolarHBondContact OD1-CA 3.49Å; N211-R213 PolarHBondContact OD1-N 3.09Å; R213-R370 HydrophobicContact CB-CG 4.28Å; R213-R370 HydrophobicContact CG-CB 3.93Å; R213-R370 HydrophobicContact CG-CG 3.86Å; R213-R370 PolarHBondContact NH2-O 3.39Å; R213-R370 VanDerWaalsContact NH2-O 3.14Å
214	E	98	Very high	98.4	Very high	35 Å²	35	29.1 Å²	29.1	16%	0.164	13%	0.131	C	C	.	.	S	Bend	trans	-130.8	160.5	-173.4	72.7	-163.8	164	0	0	111.9	E190 A210 N211 H266	E190-E214 PolarHBondContact N-O 2.7Å; A210-E214 HydrophobicContact CB-CG 3.67Å; N211-E214 WeakPolarHBondContact CB-OE1 3.38Å; N211-E214 PolarHBondContact N-OE1 2.72Å; N211-E214 PolarHBondContact ND2-OE1 3.43Å; N211-E214 PolarHBondContact ND2-OE2 3.07Å; N211-E214 VanDerWaalsContact ND2-OE2 3.1Å; N211-E214 PolarHBondContact OD1-N 3.1Å; E214-H266 WeakPolarHBondContact OE1-CA 3.25Å; E214-H266 VanDerWaalsContact OE1-CB 3.29Å; E214-H266 WeakPolarHBondContact OE1-CB 3.21Å; E214-H266 IonicContact OE1-CG 2.94Å; E214-H266 PolarHBondContact OE1-N 3.4Å; E214-H266 IonicContact OE1-ND1 3.55Å; E214-H266 PolarHBondContact OE1-ND1 3.43Å; E214-H266 IonicContact OE2-CE1 3.72Å; E214-H266 IonicContact OE2-CG 2.62Å; E214-H266 IonicContact OE2-ND1 3.06Å; E214-H266 PolarHBondContact OE2-ND1 2.88Å
215	S	98.1	Very high	98.4	Very high	18 Å²	18	30 Å²	30	13%	0.126	14%	0.135	C	C	.	.			trans	-78.8	153.7	173	-69.1	0	0	0	0	111.6	C189 P308 R403	C189-S215 VanDerWaalsContact SG-CA 3.58Å; S215-P308 WeakPolarHBondContact OG-CG 3.45Å; S215-R403 PolarHBondContact OG-NE 3.36Å; S215-R403 PolarHBondContact OG-NH2 3.41Å; S215-R403 VanDerWaalsContact OG-NH2 3.12Å
216	S	98.6	Very high	98.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	15%	0.145	C	C	.	.			trans	-85.2	173.5	156.9	62.3	0	0	0	0	110.9	E187 C189 S307	E187-S216 WeakPolarHBondContact OE1-CB 3.18Å; E187-S216 PolarHBondContact OE1-OG 2.95Å; C189-S216 PolarHBondContact N-OG 3.36Å; C189-S216 PolarHBondContact SG-N 2.93Å; S216-S307 PolarHBondContact O-N 2.78Å
217	Y	98.9	Very high	98.3	Very high	60 Å²	60	31.5 Å²	31.5	24%	0.235	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	133.9	-168.6	-80.5	-116.4	0	0	0	110.7	W232 T264 L304 T305 P306	Y217-W232 WeakPolarHBondContact O-CB 3.35Å; Y217-W232 PolarHBondContact O-N 3.04Å; Y217-T264 HydrophobicContact CD1-CG2 3.71Å; Y217-T264 VanDerWaalsContact CD2-CB 3.46Å; Y217-T264 HydrophobicContact CD2-CG2 4.43Å; Y217-T264 WeakPolarHBondContact CD2-OG1 3.31Å; Y217-T264 HydrophobicContact CE1-CG2 3.97Å; Y217-T264 WeakPolarHBondContact CE2-O 3.3Å; Y217-T264 VanDerWaalsContact CG-CB 3.45Å; Y217-T264 HydrophobicContact CG-CG2 3.97Å; Y217-L304 HydrophobicContact CD1-CB 4.49Å; Y217-T305 CarbonylContact C-O 3.56Å; Y217-T305 VanDerWaalsContact CA-O 3.32Å; Y217-T305 WeakPolarHBondContact CA-O 3.38Å; Y217-T305 VanDerWaalsContact CD1-C 3.41Å; Y217-P306 HydrophobicContact CD1-CG 4.21Å; Y217-P306 HydrophobicContact CE1-CB 4.18Å; Y217-P306 HydrophobicContact CE1-CG 3.54Å
218	A	98.9	Very high	98.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	159.9	164.5	0	0	0	0	0	110.6	Y228 L304 T305 V310	A218-Y228 HydrophobicContact CB-CD1 3.87Å; A218-Y228 HydrophobicContact CB-CG 3.92Å; A218-L304 WeakPolarHBondContact O-CA 3.31Å; A218-T305 PolarHBondContact N-O 2.97Å; A218-T305 PolarHBondContact O-N 3.42Å; A218-V310 HydrophobicContact CB-CG2 3.48Å; A218-V310 VanDerWaalsContact CB-CG2 3.48Å
219	C	98.9	Very high	98.3	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	169.8	176.8	67.3	0	0	0	0	111.4	Y228 L229 G230 W232 V235 L302 L304	C219-Y228 WeakPolarHBondContact O-CD1 3.45Å; C219-L229 PolarHBondContact O-N 2.87Å; C219-G230 PolarHBondContact N-O 3.12Å; C219-G230 PolarHBondContact O-N 2.86Å; C219-G230 VanDerWaalsContact O-O 3.11Å; C219-G230 VanDerWaalsContact SG-C 3.55Å; C219-G230 PolarHBondContact SG-O 3.16Å; C219-W232 HydrophobicContact CB-CB 4.44Å; C219-W232 HydrophobicContact CB-CD2 4.5Å; C219-W232 HydrophobicContact CB-CE3 3.71Å; C219-W232 HydrophobicContact CB-CZ3 4.42Å; C219-V235 VanDerWaalsContact SG-CG2 3.56Å; C219-L302 CarbonylContact C-O 3.32Å; C219-L302 VanDerWaalsContact CA-O 3.28Å; C219-L302 WeakPolarHBondContact CA-O 3.48Å; C219-L302 WeakPolarHBondContact CB-O 3.39Å; C219-L304 HydrophobicContact CB-CD2 3.78Å
220	Y	98.8	Very high	98.3	Very high	7 Å²	7	31.4 Å²	31.4	3%	0.027	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	58.7	70.9	174.5	-53.8	-33.4	0	0	0	113.2	R89 P90 D222 L229 W232 V235 E239 V299 L302	R89-Y220 HydrophobicContact CB-CD2 4.19Å; R89-Y220 HydrophobicContact CB-CE2 4.02Å; P90-Y220 HydrophobicContact CG-CD1 3.99Å; P90-Y220 HydrophobicContact CG-CG 4Å; Y220-D222 PolarHBondContact O-N 2.92Å; Y220-L229 WeakPolarHBondContact O-CG 3.21Å; Y220-L229 PolarHBondContact O-N 2.87Å; Y220-W232 HydrophobicContact CE1-CZ3 4.34Å; Y220-V235 HydrophobicContact CD2-CG1 4.08Å; Y220-V235 HydrophobicContact CE2-CB 3.85Å; Y220-V235 HydrophobicContact CE2-CG1 3.75Å; Y220-V235 HydrophobicContact CE2-CG2 3.8Å; Y220-E239 VanDerWaalsContact CE2-OE1 3.3Å; Y220-E239 WeakPolarHBondContact CE2-OE1 3.46Å; Y220-E239 PolarHBondContact OH-OE1 2.61Å; Y220-V299 HydrophobicContact CD1-CG1 4.03Å; Y220-V299 HydrophobicContact CE1-CB 4.23Å; Y220-V299 HydrophobicContact CE1-CG1 3.77Å; Y220-V299 HydrophobicContact CE1-CG2 4.3Å; Y220-L302 HydrophobicContact CE1-CD2 3.78Å; Y220-L302 PolarHBondContact N-O 3.12Å
221	Y	98.6	Very high	98.3	Very high	14 Å²	14	31.4 Å²	31.4	6%	0.055	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	128.3	171.6	-177	-90.8	0	0	0	110.3	E223 Y228 I314 R317	Y221-E223 HydrophobicContact CD1-CG 4.39Å; Y221-E223 VanDerWaalsContact CE1-CD 3.45Å; Y221-E223 HydrophobicContact CE1-CG 4.2Å; Y221-E223 WeakPolarHBondContact CE1-OE1 3.47Å; Y221-Y228 HydrophobicContact CD2-CD2 4Å; Y221-Y228 HydrophobicContact CD2-CE1 4.37Å; Y221-Y228 AromaticContact CD2-CE2 3.71Å; Y221-Y228 HydrophobicContact CD2-CE2 3.71Å; Y221-Y228 HydrophobicContact CD2-CG 4.47Å; Y221-Y228 AromaticContact CD2-CZ 3.92Å; Y221-Y228 HydrophobicContact CE2-CE2 4.42Å; Y221-I314 HydrophobicContact CE2-CB 4.47Å; Y221-I314 HydrophobicContact CE2-CG1 4Å; Y221-R317 VanDerWaalsContact CD1-NE 3.27Å; Y221-R317 HydrophobicContact CE1-CB 4.38Å; Y221-R317 HydrophobicContact CE2-CB 4.48Å
222	D	98.3	Very high	98.3	Very high	25 Å²	25	30.8 Å²	30.8	13%	0.134	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	111.4	177.5	-174.8	-110.8	0	0	0	109.9	Y220 K224 R225 S226 T227 L229	Y220-D222 PolarHBondContact O-N 2.92Å; D222-K224 PolarHBondContact O-N 3.05Å; D222-R225 HydrophobicContact CB-CB 4.23Å; D222-R225 CarbonylContact O-C 3.46Å; D222-R225 PolarHBondContact O-N 3.15Å; D222-R225 VanDerWaalsContact OD1-CB 3.27Å; D222-R225 WeakPolarHBondContact OD1-CB 3.28Å; D222-R225 WeakPolarHBondContact OD1-CD 3.16Å; D222-R225 WeakPolarHBondContact OD1-CG 3.27Å; D222-R225 IonicContact OD1-CZ 3.92Å; D222-R225 PolarHBondContact OD1-N 2.92Å; D222-R225 IonicContact OD1-NH1 2.91Å; D222-R225 PolarHBondContact OD1-NH1 2.89Å; D222-R225 IonicContact OD2-NH1 3.87Å; D222-S226 WeakPolarHBondContact O-CA 3.46Å; D222-S226 PolarHBondContact O-N 3.13Å; D222-T227 PolarHBondContact N-O 3.14Å; D222-L229 HydrophobicContact CB-CD1 3.89Å; D222-L229 HydrophobicContact CB-CD2 3.72Å; D222-L229 HydrophobicContact CB-CG 3.8Å
223	E	95.9	Very high	98.3	Very high	90 Å²	90	29.3 Å²	29.3	42%	0.421	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-39.3	-179.1	-66.3	-67.5	161.6	0	0	112.1	Y221 R225 S226 R317 N321	Y221-E223 HydrophobicContact CD1-CG 4.39Å; Y221-E223 VanDerWaalsContact CE1-CD 3.45Å; Y221-E223 HydrophobicContact CE1-CG 4.2Å; Y221-E223 WeakPolarHBondContact CE1-OE1 3.47Å; E223-R225 PolarHBondContact O-N 2.51Å; E223-S226 PolarHBondContact O-N 2.73Å; E223-S226 PolarHBondContact O-OG 2.97Å; E223-R317 IonicContact OE1-CZ 3.77Å; E223-R317 IonicContact OE1-NE 3.39Å; E223-R317 IonicContact OE1-NH2 2.68Å; E223-R317 PolarHBondContact OE1-NH2 3.04Å; E223-N321 PolarHBondContact OE2-ND2 3.16Å
224	K	96.3	Very high	98.4	Very high	136 Å²	136	21.8 Å²	21.8	59%	0.591	10%	0.101	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.4	-40.3	-178	-172.3	-178.2	173	-178.3	0	112	P81 D222	P81-K224 HydrophobicContact CB-CG 4.17Å; P81-K224 HydrophobicContact CG-CD 4.38Å; P81-K224 HydrophobicContact CG-CG 3.92Å; D222-K224 PolarHBondContact O-N 3.05Å
225	R	98.1	Very high	98.4	Very high	19 Å²	19	20.1 Å²	20.1	7%	0.072	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-13.4	176.4	-71.4	169.6	-176.3	80	-2.2	113.1	W40 P81 T82 I87 D222 E223 T227	W40-R225 HydrophobicContact CZ2-CB 3.86Å; W40-R225 HydrophobicContact CZ2-CG 4.14Å; W40-R225 PolarHBondContact NE1-O 2.83Å; P81-R225 HydrophobicContact CG-CG 3.68Å; T82-R225 PolarHBondContact OG1-NH2 3.41Å; I87-R225 VanDerWaalsContact CD1-NH1 3.34Å; D222-R225 HydrophobicContact CB-CB 4.23Å; D222-R225 CarbonylContact O-C 3.46Å; D222-R225 PolarHBondContact O-N 3.15Å; D222-R225 VanDerWaalsContact OD1-CB 3.27Å; D222-R225 WeakPolarHBondContact OD1-CB 3.28Å; D222-R225 WeakPolarHBondContact OD1-CD 3.16Å; D222-R225 WeakPolarHBondContact OD1-CG 3.27Å; D222-R225 IonicContact OD1-CZ 3.92Å; D222-R225 PolarHBondContact OD1-N 2.92Å; D222-R225 IonicContact OD1-NH1 2.91Å; D222-R225 PolarHBondContact OD1-NH1 2.89Å; D222-R225 IonicContact OD2-NH1 3.87Å; E223-R225 PolarHBondContact O-N 2.51Å; R225-T227 HydrophobicContact CB-CG2 3.97Å; R225-T227 PolarHBondContact O-N 2.98Å
226	S	97.6	Very high	98.5	Very high	31 Å²	31	20.1 Å²	20.1	22%	0.217	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	51	41.8	-175.4	-65.8	0	0	0	0	113	D222 E223 I314	D222-S226 WeakPolarHBondContact O-CA 3.46Å; D222-S226 PolarHBondContact O-N 3.13Å; E223-S226 PolarHBondContact O-N 2.73Å; E223-S226 PolarHBondContact O-OG 2.97Å; S226-I314 WeakPolarHBondContact O-CG2 3.21Å
227	T	98.7	Very high	98.5	Very high	0 Å²	0	20 Å²	20	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	173.7	178.6	-163.7	0	0	0	0	110.5	W40 Y43 D222 R225	W40-T227 HydrophobicContact CZ2-CG2 4.3Å; W40-T227 PolarHBondContact O-OG1 3.45Å; Y43-T227 HydrophobicContact CD1-CG2 4.16Å; Y43-T227 HydrophobicContact CD2-CG2 3.91Å; Y43-T227 HydrophobicContact CG-CG2 3.62Å; D222-T227 PolarHBondContact N-O 3.14Å; R225-T227 HydrophobicContact CB-CG2 3.97Å; R225-T227 PolarHBondContact O-N 2.98Å
228	Y	98.9	Very high	98.5	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	8%	0.081	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	138.5	174.5	-70.8	-97	0	0	0	110.3	R44 A218 C219 Y221 D303 T305 V310 T313 I314	R44-Y228 WeakPolarHBondContact CB-O 2.92Å; R44-Y228 PolarHBondContact N-O 3.5Å; A218-Y228 HydrophobicContact CB-CD1 3.87Å; A218-Y228 HydrophobicContact CB-CG 3.92Å; C219-Y228 WeakPolarHBondContact O-CD1 3.45Å; Y221-Y228 HydrophobicContact CD2-CD2 4Å; Y221-Y228 HydrophobicContact CD2-CE1 4.37Å; Y221-Y228 AromaticContact CD2-CE2 3.71Å; Y221-Y228 HydrophobicContact CD2-CE2 3.71Å; Y221-Y228 HydrophobicContact CD2-CG 4.47Å; Y221-Y228 AromaticContact CD2-CZ 3.92Å; Y221-Y228 HydrophobicContact CE2-CE2 4.42Å; Y228-D303 HydrophobicContact CE1-CB 4.07Å; Y228-D303 VanDerWaalsContact CE1-O 3.28Å; Y228-D303 WeakPolarHBondContact CE1-O 3.4Å; Y228-T305 WeakPolarHBondContact CE1-OG1 3.4Å; Y228-T305 WeakPolarHBondContact OH-CB 3.47Å; Y228-T305 PolarHBondContact OH-OG1 3.13Å; Y228-V310 HydrophobicContact CD2-CB 4.39Å; Y228-V310 HydrophobicContact CD2-CG1 3.6Å; Y228-V310 HydrophobicContact CD2-CG2 4.14Å; Y228-V310 HydrophobicContact CE2-CB 4.42Å; Y228-V310 HydrophobicContact CE2-CG1 3.97Å; Y228-V310 HydrophobicContact CE2-CG2 4.22Å; Y228-T313 WeakPolarHBondContact OH-CG2 3.47Å; Y228-I314 HydrophobicContact CD2-CD1 4.15Å; Y228-I314 HydrophobicContact CD2-CG1 3.98Å; Y228-I314 HydrophobicContact CE2-CD1 4.46Å; Y228-I314 HydrophobicContact CE2-CG1 3.85Å
229	L	98.9	Very high	98.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-21.2	-173.1	-59.4	-178.7	0	0	0	114.2	Y43 A47 I87 N88 C219 Y220 D222	Y43-L229 HydrophobicContact CD1-CD2 4.2Å; Y43-L229 HydrophobicContact CE1-CD2 3.7Å; A47-L229 VanDerWaalsContact CB-O 3.25Å; A47-L229 WeakPolarHBondContact CB-O 3.36Å; I87-L229 HydrophobicContact CD1-CD1 3.68Å; I87-L229 HydrophobicContact CD1-CD2 4.21Å; I87-L229 HydrophobicContact CG1-CD1 3.9Å; I87-L229 HydrophobicContact CG1-CD2 3.84Å; I87-L229 HydrophobicContact CG1-CG 4.43Å; N88-L229 WeakPolarHBondContact CA-O 3.32Å; N88-L229 PolarHBondContact ND2-O 2.82Å; C219-L229 PolarHBondContact O-N 2.87Å; Y220-L229 WeakPolarHBondContact O-CG 3.21Å; Y220-L229 PolarHBondContact O-N 2.87Å; D222-L229 HydrophobicContact CB-CD1 3.89Å; D222-L229 HydrophobicContact CB-CD2 3.72Å; D222-L229 HydrophobicContact CB-CG 3.8Å
230	G	98.8	Very high	98.5	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.1	177	-179	0	0	0	0	0	112.9	D48 N88 C219	D48-G230 WeakPolarHBondContact OD1-CA 3.22Å; N88-G230 WeakPolarHBondContact ND2-CA 3.25Å; C219-G230 PolarHBondContact N-O 3.12Å; C219-G230 PolarHBondContact O-N 2.86Å; C219-G230 VanDerWaalsContact O-O 3.11Å; C219-G230 VanDerWaalsContact SG-C 3.55Å; C219-G230 PolarHBondContact SG-O 3.16Å
231	D	98.9	Very high	98.5	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	143.4	177.4	-65.6	-85.2	0	0	0	111.5	R44 H45 D48 E187 Y233 S234 V235	R44-D231 WeakPolarHBondContact CB-OD2 3.45Å; R44-D231 WeakPolarHBondContact CD-OD1 3.21Å; R44-D231 WeakPolarHBondContact CD-OD2 3.26Å; R44-D231 WeakPolarHBondContact CG-OD2 3.36Å; R44-D231 IonicContact NE-OD1 3.6Å; R44-D231 PolarHBondContact NE-OD1 2.67Å; R44-D231 IonicContact NE-OD2 3.45Å; H45-D231 IonicContact CD2-OD2 3.61Å; H45-D231 PolarHBondContact CD2-OD2 2.75Å; H45-D231 IonicContact NE2-OD1 2.76Å; H45-D231 IonicContact NE2-OD2 2.77Å; D48-D231 PolarHBondContact OD1-N 3.17Å; D48-D231 WeakPolarHBondContact OD2-CB 3.39Å; E187-D231 HydrophobicContact CG-CB 3.66Å; E187-D231 WeakPolarHBondContact OE2-CB 2.91Å; D231-Y233 PolarHBondContact O-N 3.03Å; D231-S234 CarbonylContact O-C 3.38Å; D231-S234 WeakPolarHBondContact O-CA 3.48Å; D231-S234 VanDerWaalsContact O-CB 3.31Å; D231-S234 WeakPolarHBondContact O-CB 3.36Å; D231-S234 PolarHBondContact O-N 2.91Å; D231-V235 WeakPolarHBondContact O-CG1 3.42Å; D231-V235 WeakPolarHBondContact O-CG2 3.31Å; D231-V235 PolarHBondContact O-N 3.31Å
232	W	98.9	Very high	98.4	Very high	18 Å²	18	18.6 Å²	18.6	7%	0.068	9%	0.089	C	C	.	.	H	α-helix	trans	-64.5	-41	-161.8	-168.8	-132.3	0	0	0	113.2	Y217 C219 Y220 V235 N236 H261 N263 L302 L304	Y217-W232 WeakPolarHBondContact O-CB 3.35Å; Y217-W232 PolarHBondContact O-N 3.04Å; C219-W232 HydrophobicContact CB-CB 4.44Å; C219-W232 HydrophobicContact CB-CD2 4.5Å; C219-W232 HydrophobicContact CB-CE3 3.71Å; C219-W232 HydrophobicContact CB-CZ3 4.42Å; Y220-W232 HydrophobicContact CE1-CZ3 4.34Å; W232-V235 HydrophobicContact CE3-CG2 3.79Å; W232-V235 HydrophobicContact CZ3-CG2 4.17Å; W232-N236 VanDerWaalsContact O-CB 3.29Å; W232-N236 WeakPolarHBondContact O-CB 3.36Å; W232-N236 PolarHBondContact O-N 3.01Å; W232-N236 PolarHBondContact O-ND2 2.82Å; W232-H261 PolarHBondContact NE1-O 2.76Å; W232-H261 VanDerWaalsContact NE1-O 3.08Å; W232-N263 PolarHBondContact NE1-OD1 3.5Å; W232-L302 HydrophobicContact CH2-CB 4.5Å; W232-L302 HydrophobicContact CH2-CD1 3.56Å; W232-L302 HydrophobicContact CH2-CD2 3.75Å; W232-L302 HydrophobicContact CH2-CG 4.12Å; W232-L302 HydrophobicContact CZ2-CD1 3.99Å; W232-L302 HydrophobicContact CZ3-CB 4.45Å; W232-L302 HydrophobicContact CZ3-CD1 4.29Å; W232-L302 HydrophobicContact CZ3-CD2 3.87Å; W232-L302 HydrophobicContact CZ3-CG 4.42Å; W232-L304 HydrophobicContact CB-CD2 4.3Å; W232-L304 HydrophobicContact CD2-CD1 4.49Å; W232-L304 HydrophobicContact CD2-CD2 3.33Å; W232-L304 HydrophobicContact CE3-CD2 3.46Å; W232-L304 VanDerWaalsContact CE3-CD2 3.46Å; W232-L304 HydrophobicContact CG-CD2 3.72Å; W232-L304 HydrophobicContact CH2-CD2 4.32Å; W232-L304 HydrophobicContact CZ2-CD1 4.28Å; W232-L304 HydrophobicContact CZ2-CD2 4.19Å; W232-L304 HydrophobicContact CZ3-CD2 3.97Å
233	Y	98.9	Very high	98.4	Very high	3 Å²	3	20.5 Å²	20.5	1%	0.012	10%	0.101	C	C	.	.	H	α-helix	trans	-68.9	-41.4	173.7	155	-84.8	0	0	0	110.9	Y185 E187 T207 A209 D231 N236 W237 V258 V267	Y185-Y233 VanDerWaalsContact CB-OH 3.31Å; Y185-Y233 WeakPolarHBondContact CB-OH 2.99Å; Y185-Y233 VanDerWaalsContact CG-OH 3.31Å; E187-Y233 HydrophobicContact CB-CD1 3.98Å; E187-Y233 HydrophobicContact CB-CE1 4.35Å; E187-Y233 WeakPolarHBondContact OE2-CB 3.19Å; E187-Y233 PolarHBondContact OE2-N 3.06Å; T207-Y233 PolarHBondContact OG1-OH 2.86Å; A209-Y233 HydrophobicContact CB-CD1 3.68Å; A209-Y233 HydrophobicContact CB-CD2 4.15Å; A209-Y233 HydrophobicContact CB-CE1 4.43Å; A209-Y233 HydrophobicContact CB-CG 3.52Å; D231-Y233 PolarHBondContact O-N 3.03Å; Y233-N236 PolarHBondContact O-N 2.96Å; Y233-W237 AromaticContact CE1-CD1 3.85Å; Y233-W237 PolarHBondContact O-N 3.37Å; Y233-V258 HydrophobicContact CD2-CG1 3.4Å; Y233-V258 VanDerWaalsContact CD2-CG1 3.4Å; Y233-V258 HydrophobicContact CE2-CG1 3.74Å; Y233-V258 HydrophobicContact CG-CG1 4.32Å; Y233-V267 HydrophobicContact CD2-CG1 3.99Å; Y233-V267 HydrophobicContact CD2-CG2 3.96Å; Y233-V267 HydrophobicContact CE2-CG1 3.91Å
234	S	98.9	Very high	98.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-57.7	-58.4	178.4	-62.6	0	0	0	0	112.6	D48 Y144 E187 D231 N236 W237 M238	D48-S234 WeakPolarHBondContact OD2-CB 3.36Å; D48-S234 PolarHBondContact OD2-OG 3.19Å; Y144-S234 WeakPolarHBondContact OH-CB 3.11Å; Y144-S234 PolarHBondContact OH-OG 3.12Å; E187-S234 VanDerWaalsContact CB-OG 3.27Å; E187-S234 WeakPolarHBondContact CB-OG 3Å; E187-S234 VanDerWaalsContact CG-OG 3.28Å; E187-S234 WeakPolarHBondContact CG-OG 3.36Å; D231-S234 CarbonylContact O-C 3.38Å; D231-S234 WeakPolarHBondContact O-CA 3.48Å; D231-S234 VanDerWaalsContact O-CB 3.31Å; D231-S234 WeakPolarHBondContact O-CB 3.36Å; D231-S234 PolarHBondContact O-N 2.91Å; S234-N236 PolarHBondContact O-N 3.29Å; S234-W237 VanDerWaalsContact CA-CD1 3.47Å; S234-W237 PolarHBondContact O-N 3.19Å; S234-W237 PolarHBondContact O-NE1 3.44Å; S234-M238 WeakPolarHBondContact O-CB 3.35Å; S234-M238 WeakPolarHBondContact O-CE 3.45Å; S234-M238 WeakPolarHBondContact O-CG 3.23Å; S234-M238 PolarHBondContact O-N 3.38Å
235	V	98.9	Very high	98.5	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-61.1	-34.8	-178.6	-57.1	0	0	0	0	110.8	C219 Y220 D231 W232 W237 M238 E239	C219-V235 VanDerWaalsContact SG-CG2 3.56Å; Y220-V235 HydrophobicContact CD2-CG1 4.08Å; Y220-V235 HydrophobicContact CE2-CB 3.85Å; Y220-V235 HydrophobicContact CE2-CG1 3.75Å; Y220-V235 HydrophobicContact CE2-CG2 3.8Å; D231-V235 WeakPolarHBondContact O-CG1 3.42Å; D231-V235 WeakPolarHBondContact O-CG2 3.31Å; D231-V235 PolarHBondContact O-N 3.31Å; W232-V235 HydrophobicContact CE3-CG2 3.79Å; W232-V235 HydrophobicContact CZ3-CG2 4.17Å; V235-W237 PolarHBondContact O-N 3.43Å; V235-M238 PolarHBondContact O-N 3.31Å; V235-E239 WeakPolarHBondContact O-CB 3.34Å; V235-E239 WeakPolarHBondContact O-CG 3.4Å; V235-E239 PolarHBondContact O-N 3.13Å
236	N	98.9	Very high	98.4	Very high	18 Å²	18	14 Å²	14	10%	0.096	8%	0.075	C	C	.	.	H	α-helix	trans	-63.7	-41.5	178.1	-82.9	-38	0	0	0	112.9	W232 Y233 S234 D240 V258 H261 T262	W232-N236 VanDerWaalsContact O-CB 3.29Å; W232-N236 WeakPolarHBondContact O-CB 3.36Å; W232-N236 PolarHBondContact O-N 3.01Å; W232-N236 PolarHBondContact O-ND2 2.82Å; Y233-N236 PolarHBondContact O-N 2.96Å; S234-N236 PolarHBondContact O-N 3.29Å; N236-D240 WeakPolarHBondContact O-CB 3.33Å; N236-D240 PolarHBondContact O-N 3.47Å; N236-V258 HydrophobicContact CB-CG1 4.27Å; N236-H261 HydrophobicContact CB-CB 4.41Å; N236-H261 WeakPolarHBondContact OD1-CB 3.45Å; N236-T262 PolarHBondContact ND2-N 3.44Å; N236-T262 PolarHBondContact ND2-OG1 3.01Å
237	W	98.9	Very high	98.4	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-78.8	-33.9	177.8	81	-102.2	0	0	0	112.1	A52 I55 F142 Y144 Y185 Y233 S234 V235 S241 V258	A52-W237 HydrophobicContact CB-CH2 3.85Å; A52-W237 HydrophobicContact CB-CZ2 4.01Å; I55-W237 HydrophobicContact CD1-CZ3 4.23Å; F142-W237 HydrophobicContact CE1-CH2 4.28Å; F142-W237 HydrophobicContact CZ-CH2 4.29Å; Y144-W237 AromaticContact CD1-CZ2 3.89Å; Y144-W237 HydrophobicContact CD1-CZ2 3.89Å; Y144-W237 HydrophobicContact CD2-CZ2 4.03Å; Y144-W237 AromaticContact CE1-CZ2 3.85Å; Y144-W237 HydrophobicContact CE1-CZ2 3.85Å; Y144-W237 HydrophobicContact CE2-CZ2 4.01Å; Y144-W237 AromaticContact CE2-NE1 3.6Å; Y144-W237 AromaticContact CG-CZ2 3.97Å; Y144-W237 HydrophobicContact CG-CZ2 3.97Å; Y144-W237 AromaticContact CZ-CZ2 3.91Å; Y144-W237 AromaticContact CZ-NE1 3.86Å; Y185-W237 AromaticContact CD2-CD2 3.79Å; Y185-W237 HydrophobicContact CD2-CD2 3.79Å; Y185-W237 HydrophobicContact CD2-CE3 4.19Å; Y185-W237 AromaticContact CD2-CG 3.95Å; Y185-W237 HydrophobicContact CD2-CG 3.95Å; Y185-W237 HydrophobicContact CE2-CB 4.26Å; Y185-W237 HydrophobicContact CE2-CD2 4.01Å; Y185-W237 HydrophobicContact CE2-CE3 4.12Å; Y185-W237 HydrophobicContact CE2-CG 4.08Å; Y233-W237 AromaticContact CE1-CD1 3.85Å; Y233-W237 PolarHBondContact O-N 3.37Å; S234-W237 VanDerWaalsContact CA-CD1 3.47Å; S234-W237 PolarHBondContact O-N 3.19Å; S234-W237 PolarHBondContact O-NE1 3.44Å; V235-W237 PolarHBondContact O-N 3.43Å; W237-S241 WeakPolarHBondContact O-CB 3.16Å; W237-S241 PolarHBondContact O-N 3.29Å; W237-S241 PolarHBondContact O-OG 3.31Å; W237-V258 HydrophobicContact CB-CG2 3.53Å
238	M	98.9	Very high	98.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.11	C	C	.	.	H	α-helix	trans	-72.1	-46.3	-179.7	-71.7	-172	-63.3	0	0	112.1	D48 H51 A52 I55 N88 S234 V235 D240 S241 D242	D48-M238 HydrophobicContact CB-CE 4.17Å; D48-M238 VanDerWaalsContact O-SD 3.35Å; H51-M238 HydrophobicContact CB-CE 4.13Å; H51-M238 HydrophobicContact CB-SD 3.68Å; A52-M238 HydrophobicContact CB-SD 4.04Å; A52-M238 PolarHBondContact N-SD 3.44Å; A52-M238 VanDerWaalsContact N-SD 3.41Å; I55-M238 HydrophobicContact CD1-CB 3.57Å; I55-M238 HydrophobicContact CD1-CG 3.75Å; I55-M238 WeakPolarHBondContact CD1-O 3.46Å; N88-M238 WeakPolarHBondContact OD1-CE 3.35Å; S234-M238 WeakPolarHBondContact O-CB 3.35Å; S234-M238 WeakPolarHBondContact O-CE 3.45Å; S234-M238 WeakPolarHBondContact O-CG 3.23Å; S234-M238 PolarHBondContact O-N 3.38Å; V235-M238 PolarHBondContact O-N 3.31Å; M238-D240 VanDerWaalsContact C-N 3.27Å; M238-D240 PolarHBondContact O-N 3.45Å; M238-S241 CarbonylContact O-C 3.59Å; M238-S241 PolarHBondContact O-N 3.47Å; M238-D242 WeakPolarHBondContact O-CB 3.32Å; M238-D242 PolarHBondContact O-N 3.14Å
239	E	98.8	Very high	98.2	Very high	31 Å²	31	22.1 Å²	22.1	15%	0.145	11%	0.111	C	C	.	.	H	α-helix	trans	-66.5	-30.4	177.2	-66.7	-173	-154.8	0	0	112	R89 Y220 V235 D242 V243 L296	R89-E239 IonicContact CZ-OE1 3.61Å; R89-E239 IonicContact CZ-OE2 3.65Å; R89-E239 IonicContact NH1-OE1 3.46Å; R89-E239 PolarHBondContact NH1-OE1 2.88Å; R89-E239 IonicContact NH1-OE2 3.9Å; R89-E239 PolarHBondContact NH1-OE2 2.77Å; R89-E239 IonicContact NH2-OE2 3.77Å; Y220-E239 VanDerWaalsContact CE2-OE1 3.3Å; Y220-E239 WeakPolarHBondContact CE2-OE1 3.46Å; Y220-E239 PolarHBondContact OH-OE1 2.61Å; V235-E239 WeakPolarHBondContact O-CB 3.34Å; V235-E239 WeakPolarHBondContact O-CG 3.4Å; V235-E239 PolarHBondContact O-N 3.13Å; E239-D242 WeakPolarHBondContact O-CB 3.42Å; E239-D242 PolarHBondContact O-N 3.42Å; E239-V243 WeakPolarHBondContact O-CG2 3.29Å; E239-V243 PolarHBondContact O-N 2.74Å; E239-L296 HydrophobicContact CB-CD1 3.71Å; E239-L296 HydrophobicContact CG-CD1 4Å; E239-L296 WeakPolarHBondContact O-CD1 3.39Å
240	D	98.8	Very high	98.2	Very high	15 Å²	15	23.6 Å²	23.6	8%	0.08	12%	0.12	C	C	.	.	H	α-helix	trans	-64.3	-54	169.3	178.3	71.3	0	0	0	110.8	N236 M238 D242 V243 E244 Q254 L257	N236-D240 WeakPolarHBondContact O-CB 3.33Å; N236-D240 PolarHBondContact O-N 3.47Å; M238-D240 VanDerWaalsContact C-N 3.27Å; M238-D240 PolarHBondContact O-N 3.45Å; D240-D242 PolarHBondContact O-N 2.93Å; D240-D242 VanDerWaalsContact O-N 3.09Å; D240-V243 PolarHBondContact O-N 3.03Å; D240-E244 WeakPolarHBondContact O-CB 3.41Å; D240-E244 WeakPolarHBondContact O-CG 3.49Å; D240-E244 PolarHBondContact O-N 3.27Å; D240-Q254 WeakPolarHBondContact OD2-CG 3.38Å; D240-Q254 PolarHBondContact OD2-NE2 3.03Å; D240-L257 VanDerWaalsContact OD1-CD1 3.23Å; D240-L257 WeakPolarHBondContact OD1-CD1 3.43Å
241	S	98.7	Very high	98.2	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.007	12%	0.12	C	C	.	.	H	α-helix	trans	-61.1	-21.6	175.9	-78	0	0	0	0	114.1	W237 M238 Q254 Q284	W237-S241 WeakPolarHBondContact O-CB 3.16Å; W237-S241 PolarHBondContact O-N 3.29Å; W237-S241 PolarHBondContact O-OG 3.31Å; M238-S241 CarbonylContact O-C 3.59Å; M238-S241 PolarHBondContact O-N 3.47Å; S241-Q254 PolarHBondContact OG-NE2 3.3Å; S241-Q284 PolarHBondContact OG-OE1 2.77Å
242	D	98.4	Very high	98.2	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.021	14%	0.137	C	C	.	.	H	α-helix	trans	-71.9	-36.7	175.6	-99.4	-13.3	0	0	0	113.4	H51 R58 M238 E239 D240 P293 L294 L296	H51-D242 IonicContact CE1-OD2 2.86Å; H51-D242 IonicContact NE2-OD1 3.23Å; H51-D242 IonicContact NE2-OD2 3.26Å; H51-D242 PolarHBondContact NE2-OD2 3.21Å; R58-D242 IonicContact CZ-OD1 3.21Å; R58-D242 IonicContact NH1-OD1 2.73Å; R58-D242 PolarHBondContact NH1-OD1 3.09Å; R58-D242 PolarHBondContact NH2-O 3.02Å; R58-D242 IonicContact NH2-OD1 3.57Å; R58-D242 PolarHBondContact NH2-OD1 3.13Å; M238-D242 WeakPolarHBondContact O-CB 3.32Å; M238-D242 PolarHBondContact O-N 3.14Å; E239-D242 WeakPolarHBondContact O-CB 3.42Å; E239-D242 PolarHBondContact O-N 3.42Å; D240-D242 PolarHBondContact O-N 2.93Å; D240-D242 VanDerWaalsContact O-N 3.09Å; D242-P293 CarbonylContact O-C 2.98Å; D242-P293 VanDerWaalsContact O-CA 3.25Å; D242-P293 WeakPolarHBondContact O-CA 3.3Å; D242-L294 PolarHBondContact O-N 3.02Å; D242-L296 HydrophobicContact CB-CD1 3.78Å; D242-L296 HydrophobicContact CB-CG 4.45Å
243	V	97.5	Very high	98.2	Very high	65 Å²	65	30.1 Å²	30.1	39%	0.394	15%	0.15	S	C	.	.	H	α-helix	trans	-109.1	-19.7	-169.6	-55.2	0	0	0	0	113.7	E239 D240 P293 L296	E239-V243 WeakPolarHBondContact O-CG2 3.29Å; E239-V243 PolarHBondContact O-N 2.74Å; D240-V243 PolarHBondContact O-N 3.03Å; V243-P293 WeakPolarHBondContact O-CB 3.3Å; V243-L296 HydrophobicContact CG1-CB 4.15Å; V243-L296 HydrophobicContact CG1-CD1 3.48Å; V243-L296 VanDerWaalsContact CG1-CD1 3.48Å; V243-L296 HydrophobicContact CG1-CG 3.62Å
244	E	97.4	Very high	98.2	Very high	62 Å²	62	30 Å²	30	29%	0.29	15%	0.149	S	C	.	.	S	Bend	trans	-84.1	156.3	-177.4	-74	-78.6	-176.7	0	0	113	D240 L246 E249 K253	D240-E244 WeakPolarHBondContact O-CB 3.41Å; D240-E244 WeakPolarHBondContact O-CG 3.49Å; D240-E244 PolarHBondContact O-N 3.27Å; E244-L246 HydrophobicContact CB-CD2 4.47Å; E244-L246 PolarHBondContact O-N 2.84Å; E244-L246 VanDerWaalsContact O-N 3.16Å; E244-E249 VanDerWaalsContact CB-OE2 3.28Å; E244-E249 WeakPolarHBondContact CB-OE2 3.29Å; E244-K253 IonicContact OE1-NZ 3.36Å; E244-K253 PolarHBondContact OE1-NZ 3.33Å; E244-K253 IonicContact OE2-NZ 3.01Å; E244-K253 PolarHBondContact OE2-NZ 3.08Å; E244-K253 VanDerWaalsContact OE2-NZ 3.14Å
245	D	96.8	Very high	98.2	Very high	44 Å²	44	30.6 Å²	30.6	24%	0.235	15%	0.152	C	C	.	.			trans	-80.6	91.5	167.6	-175.7	-10.7	0	0	0	109	T247 K248 E249 S291	D245-T247 PolarHBondContact O-N 2.84Å; D245-T247 WeakPolarHBondContact OD1-CB 3.4Å; D245-T247 PolarHBondContact OD1-N 2.89Å; D245-T247 PolarHBondContact OD1-OG1 2.98Å; D245-K248 HydrophobicContact CB-CB 4.43Å; D245-K248 HydrophobicContact CB-CD 4.29Å; D245-K248 HydrophobicContact CB-CG 4.45Å; D245-K248 WeakPolarHBondContact O-CA 3.11Å; D245-K248 WeakPolarHBondContact O-CB 3.5Å; D245-K248 PolarHBondContact O-N 3.29Å; D245-K248 VanDerWaalsContact OD2-CD 3.31Å; D245-K248 WeakPolarHBondContact OD2-CD 3.35Å; D245-K248 WeakPolarHBondContact OD2-CE 3.36Å; D245-K248 IonicContact OD2-NZ 3.5Å; D245-K248 PolarHBondContact OD2-NZ 3.31Å; D245-E249 PolarHBondContact O-N 2.91Å; D245-S291 PolarHBondContact OD1-OG 3.02Å
246	L	96.8	Very high	98.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.005	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.8	-178.3	-54.4	-173.8	0	0	0	114	E244 V280 M281 S291	E244-L246 HydrophobicContact CB-CD2 4.47Å; E244-L246 PolarHBondContact O-N 2.84Å; E244-L246 VanDerWaalsContact O-N 3.16Å; L246-V280 HydrophobicContact CB-CB 4.2Å; L246-V280 HydrophobicContact CB-CG1 4.37Å; L246-V280 HydrophobicContact CD1-CG1 4.21Å; L246-V280 HydrophobicContact CD2-CB 3.97Å; L246-V280 HydrophobicContact CD2-CG1 3.65Å; L246-V280 HydrophobicContact CG-CG1 4.29Å; L246-M281 HydrophobicContact CB-CB 3.98Å; L246-M281 HydrophobicContact CB-SD 3.99Å; L246-M281 HydrophobicContact CD1-SD 4.37Å; L246-M281 WeakPolarHBondContact O-CB 3.45Å; L246-M281 PolarHBondContact O-N 3.37Å; L246-S291 WeakPolarHBondContact CB-OG 3.44Å; L246-S291 PolarHBondContact N-OG 2.88Å
247	T	95.8	Very high	98.2	Very high	55 Å²	55	36.1 Å²	36.1	34%	0.337	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-21.3	174	72.7	0	0	0	0	112.1	D245 K279 M281 S291	D245-T247 PolarHBondContact O-N 2.84Å; D245-T247 WeakPolarHBondContact OD1-CB 3.4Å; D245-T247 PolarHBondContact OD1-N 2.89Å; D245-T247 PolarHBondContact OD1-OG1 2.98Å; T247-K279 WeakPolarHBondContact O-CD 3.21Å; T247-K279 WeakPolarHBondContact O-CG 3.36Å; T247-M281 HydrophobicContact CG2-CB 4.36Å; T247-M281 HydrophobicContact CG2-CG 4.12Å; T247-S291 PolarHBondContact N-OG 2.92Å
248	K	96.4	Very high	98.2	Very high	143 Å²	143	36.2 Å²	36.2	62%	0.622	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102.7	-40.3	178.9	-65.9	-179.9	-177	131.2	0	112.1	D245 K279	D245-K248 HydrophobicContact CB-CB 4.43Å; D245-K248 HydrophobicContact CB-CD 4.29Å; D245-K248 HydrophobicContact CB-CG 4.45Å; D245-K248 WeakPolarHBondContact O-CA 3.11Å; D245-K248 WeakPolarHBondContact O-CB 3.5Å; D245-K248 PolarHBondContact O-N 3.29Å; D245-K248 VanDerWaalsContact OD2-CD 3.31Å; D245-K248 WeakPolarHBondContact OD2-CD 3.35Å; D245-K248 WeakPolarHBondContact OD2-CE 3.36Å; D245-K248 IonicContact OD2-NZ 3.5Å; D245-K248 PolarHBondContact OD2-NZ 3.31Å; K248-K279 WeakPolarHBondContact O-CD 3.4Å; K248-K279 PolarHBondContact O-NZ 3.2Å
249	E	98.1	Very high	98.2	Very high	5 Å²	5	40.6 Å²	40.6	2%	0.023	20%	0.198	C	C	.	.			trans	-65.3	134.3	-179.6	-178.4	156.1	-116.1	0	0	111.9	E244 D245 K253 Q254 K279 V280	E244-E249 VanDerWaalsContact CB-OE2 3.28Å; E244-E249 WeakPolarHBondContact CB-OE2 3.29Å; D245-E249 PolarHBondContact O-N 2.91Å; E249-K253 HydrophobicContact CG-CB 4.13Å; E249-K253 HydrophobicContact CG-CD 4.13Å; E249-K253 HydrophobicContact CG-CG 4.3Å; E249-K253 WeakPolarHBondContact OE1-CD 3.48Å; E249-K253 WeakPolarHBondContact OE1-CG 3.36Å; E249-K253 IonicContact OE1-NZ 2.83Å; E249-K253 PolarHBondContact OE1-NZ 2.95Å; E249-Q254 HydrophobicContact CG-CB 4.45Å; E249-K279 CarbonylContact O-C 3.59Å; E249-K279 WeakPolarHBondContact O-CA 3.48Å; E249-V280 HydrophobicContact CB-CG2 4.27Å; E249-V280 HydrophobicContact CG-CG2 3.82Å; E249-V280 PolarHBondContact O-N 3.39Å
250	T	98.7	Very high	98.2	Very high	30 Å²	30	43.4 Å²	43.4	18%	0.184	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-93.4	153.2	172.6	62.9	0	0	0	0	110.2	H252 K253 Q254 T277 M278 K279	T250-H252 PolarHBondContact O-N 2.98Å; T250-H252 VanDerWaalsContact O-N 3.12Å; T250-K253 PolarHBondContact O-N 3.46Å; T250-K253 PolarHBondContact OG1-N 3.35Å; T250-K253 VanDerWaalsContact OG1-N 3.09Å; T250-Q254 PolarHBondContact O-N 3.28Å; T250-T277 VanDerWaalsContact CG2-O 3.25Å; T250-T277 WeakPolarHBondContact CG2-O 3.5Å; T250-M278 CarbonylContact C-O 3.51Å; T250-M278 VanDerWaalsContact CA-O 3.22Å; T250-M278 WeakPolarHBondContact CA-O 3.27Å; T250-K279 HydrophobicContact CG2-CD 4.15Å
251	L	98.9	Very high	98.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-53.4	-32	169.9	-70.7	169.1	0	0	0	111.9	V183 Y205 Y255 I275 S276 M278 V280 F283	V183-L251 HydrophobicContact CG2-CD1 3.79Å; Y205-L251 HydrophobicContact CD1-CD1 4.38Å; Y205-L251 HydrophobicContact CE1-CB 4.33Å; L251-Y255 VanDerWaalsContact O-CB 3.31Å; L251-Y255 WeakPolarHBondContact O-CB 3.42Å; L251-Y255 PolarHBondContact O-N 3.48Å; L251-I275 HydrophobicContact CD1-CG2 4.36Å; L251-S276 PolarHBondContact N-O 3.28Å; L251-M278 PolarHBondContact N-O 3.19Å; L251-V280 HydrophobicContact CD2-CG2 4.32Å; L251-F283 HydrophobicContact CD1-CD2 3.71Å; L251-F283 HydrophobicContact CD1-CE2 3.64Å; L251-F283 HydrophobicContact CD1-CZ 4.47Å; L251-F283 HydrophobicContact CD2-CD2 4.48Å; L251-F283 HydrophobicContact CG-CD2 4.38Å
252	H	98.8	Very high	98.1	Very high	76 Å²	76	47 Å²	47	35%	0.352	24%	0.237	S	C	.	.	H	α-helix	trans	-65.9	-44.2	175.7	-174.2	71.4	0	0	0	112.4	T250 Y255 H256 S276	T250-H252 PolarHBondContact O-N 2.98Å; T250-H252 VanDerWaalsContact O-N 3.12Å; H252-Y255 PolarHBondContact O-N 3.13Å; H252-H256 AromaticContact CD2-CD2 3.7Å; H252-H256 AromaticContact CE1-CD2 3.31Å; H252-H256 PolarHBondContact CE1-CD2 2.99Å; H252-H256 AromaticContact CE1-NE2 3.04Å; H252-H256 PolarHBondContact CE1-NE2 2.86Å; H252-H256 AromaticContact CG-CD2 3.99Å; H252-H256 AromaticContact ND1-CD2 3.76Å; H252-H256 AromaticContact ND1-NE2 3.83Å; H252-H256 AromaticContact NE2-CD2 3.28Å; H252-H256 PolarHBondContact NE2-CD2 2.85Å; H252-H256 VanDerWaalsContact NE2-CD2 3.28Å; H252-H256 AromaticContact NE2-NE2 3.28Å; H252-H256 PolarHBondContact NE2-NE2 3.27Å; H252-H256 PolarHBondContact O-CD2 3.38Å; H252-H256 VanDerWaalsContact O-CD2 3.24Å; H252-H256 PolarHBondContact O-N 2.92Å; H252-S276 VanDerWaalsContact CB-O 3.24Å; H252-S276 WeakPolarHBondContact CB-O 3.44Å; H252-S276 PolarHBondContact N-O 2.84Å
253	K	98.8	Very high	98.1	Very high	79 Å²	79	52.4 Å²	52.4	34%	0.343	27%	0.266	S	S	.	.	H	α-helix	trans	-63.1	-48.9	175.5	178.2	179.7	170.3	-96.3	0	109.8	E244 E249 T250 Y255 H256 L257	E244-K253 IonicContact OE1-NZ 3.36Å; E244-K253 PolarHBondContact OE1-NZ 3.33Å; E244-K253 IonicContact OE2-NZ 3.01Å; E244-K253 PolarHBondContact OE2-NZ 3.08Å; E244-K253 VanDerWaalsContact OE2-NZ 3.14Å; E249-K253 HydrophobicContact CG-CB 4.13Å; E249-K253 HydrophobicContact CG-CD 4.13Å; E249-K253 HydrophobicContact CG-CG 4.3Å; E249-K253 WeakPolarHBondContact OE1-CD 3.48Å; E249-K253 WeakPolarHBondContact OE1-CG 3.36Å; E249-K253 IonicContact OE1-NZ 2.83Å; E249-K253 PolarHBondContact OE1-NZ 2.95Å; T250-K253 PolarHBondContact O-N 3.46Å; T250-K253 PolarHBondContact OG1-N 3.35Å; T250-K253 VanDerWaalsContact OG1-N 3.09Å; K253-Y255 PolarHBondContact O-N 3.49Å; K253-H256 PolarHBondContact O-N 3.32Å; K253-H256 VanDerWaalsContact O-N 3.09Å; K253-L257 HydrophobicContact CG-CD1 4.07Å; K253-L257 HydrophobicContact CG-CG 4.43Å; K253-L257 WeakPolarHBondContact O-CG 3.32Å; K253-L257 PolarHBondContact O-N 3.09Å
254	Q	98.9	Very high	98.2	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-56.3	-49.2	175.9	178.3	159.5	96.9	0	0	111.4	Y185 D240 S241 E249 T250 H256 L257 V258 V280 Q284	Y185-Q254 PolarHBondContact OH-OE1 3.48Å; D240-Q254 WeakPolarHBondContact OD2-CG 3.38Å; D240-Q254 PolarHBondContact OD2-NE2 3.03Å; S241-Q254 PolarHBondContact OG-NE2 3.3Å; E249-Q254 HydrophobicContact CG-CB 4.45Å; T250-Q254 PolarHBondContact O-N 3.28Å; Q254-H256 VanDerWaalsContact C-N 3.29Å; Q254-H256 PolarHBondContact O-N 2.97Å; Q254-L257 PolarHBondContact O-N 3.03Å; Q254-V258 HydrophobicContact CG-CG2 4.11Å; Q254-V258 WeakPolarHBondContact O-CB 3.33Å; Q254-V258 WeakPolarHBondContact O-CG2 3.47Å; Q254-V258 PolarHBondContact O-N 3.44Å; Q254-V280 HydrophobicContact CB-CG2 4.14Å; Q254-Q284 VanDerWaalsContact OE1-NE2 3.1Å
255	Y	98.9	Very high	98.2	Very high	13 Å²	13	48.5 Å²	48.5	5%	0.051	25%	0.247	C	C	.	.	H	α-helix	trans	-54.7	-43.3	175.1	159.7	-101.3	0	0	0	112.5	T207 L251 H252 K253 K259 V267 Q269	T207-Y255 HydrophobicContact CG2-CD2 3.98Å; T207-Y255 HydrophobicContact CG2-CG 4.5Å; L251-Y255 VanDerWaalsContact O-CB 3.31Å; L251-Y255 WeakPolarHBondContact O-CB 3.42Å; L251-Y255 PolarHBondContact O-N 3.48Å; H252-Y255 PolarHBondContact O-N 3.13Å; K253-Y255 PolarHBondContact O-N 3.49Å; Y255-K259 HydrophobicContact CE1-CD 4.32Å; Y255-K259 HydrophobicContact CE2-CB 4.45Å; Y255-K259 HydrophobicContact CE2-CD 4.16Å; Y255-K259 WeakPolarHBondContact O-CB 3.33Å; Y255-K259 PolarHBondContact O-N 3.48Å; Y255-K259 WeakPolarHBondContact OH-CD 3.26Å; Y255-K259 PolarHBondContact OH-NZ 3.08Å; Y255-V267 HydrophobicContact CD2-CG1 4.14Å; Y255-V267 HydrophobicContact CE2-CG1 4.09Å; Y255-Q269 HydrophobicContact CD2-CB 4.07Å; Y255-Q269 HydrophobicContact CE1-CG 4.06Å; Y255-Q269 HydrophobicContact CE2-CB 3.75Å; Y255-Q269 HydrophobicContact CE2-CG 3.96Å
256	H	98.8	Very high	98.3	Very high	89 Å²	89	51.8 Å²	51.8	41%	0.412	26%	0.261	S	S	.	.	H	α-helix	trans	-70	-38.1	179.6	-86.8	-68.9	0	0	0	113.3	H252 K253 Q254 S260	H252-H256 AromaticContact CD2-CD2 3.7Å; H252-H256 AromaticContact CE1-CD2 3.31Å; H252-H256 PolarHBondContact CE1-CD2 2.99Å; H252-H256 AromaticContact CE1-NE2 3.04Å; H252-H256 PolarHBondContact CE1-NE2 2.86Å; H252-H256 AromaticContact CG-CD2 3.99Å; H252-H256 AromaticContact ND1-CD2 3.76Å; H252-H256 AromaticContact ND1-NE2 3.83Å; H252-H256 AromaticContact NE2-CD2 3.28Å; H252-H256 PolarHBondContact NE2-CD2 2.85Å; H252-H256 VanDerWaalsContact NE2-CD2 3.28Å; H252-H256 AromaticContact NE2-NE2 3.28Å; H252-H256 PolarHBondContact NE2-NE2 3.27Å; H252-H256 PolarHBondContact O-CD2 3.38Å; H252-H256 VanDerWaalsContact O-CD2 3.24Å; H252-H256 PolarHBondContact O-N 2.92Å; K253-H256 PolarHBondContact O-N 3.32Å; K253-H256 VanDerWaalsContact O-N 3.09Å; Q254-H256 VanDerWaalsContact C-N 3.29Å; Q254-H256 PolarHBondContact O-N 2.97Å; H256-S260 WeakPolarHBondContact O-CB 3.09Å; H256-S260 PolarHBondContact O-N 3Å
257	L	98.8	Very high	98.4	Very high	45 Å²	45	51.8 Å²	51.8	24%	0.236	26%	0.261	C	S	.	.	H	α-helix	trans	-63.7	-53.1	174	-72.6	174.8	0	0	0	110.5	D240 K253 Q254 K259 S260 H261	D240-L257 VanDerWaalsContact OD1-CD1 3.23Å; D240-L257 WeakPolarHBondContact OD1-CD1 3.43Å; K253-L257 HydrophobicContact CG-CD1 4.07Å; K253-L257 HydrophobicContact CG-CG 4.43Å; K253-L257 WeakPolarHBondContact O-CG 3.32Å; K253-L257 PolarHBondContact O-N 3.09Å; Q254-L257 PolarHBondContact O-N 3.03Å; L257-K259 VanDerWaalsContact C-N 3.33Å; L257-K259 PolarHBondContact O-N 2.85Å; L257-S260 WeakPolarHBondContact O-CA 3.39Å; L257-S260 WeakPolarHBondContact O-CB 3.36Å; L257-S260 PolarHBondContact O-N 3.09Å; L257-H261 PolarHBondContact O-N 2.99Å
258	V	98.9	Very high	98.6	Very high	3 Å²	3	51.8 Å²	51.8	2%	0.018	26%	0.258	C	S	.	.	H	α-helix	trans	-58.6	-45.2	178.3	176.2	0	0	0	0	110.8	Y233 N236 W237 Q254 S260 H261 T262 V267	Y233-V258 HydrophobicContact CD2-CG1 3.4Å; Y233-V258 VanDerWaalsContact CD2-CG1 3.4Å; Y233-V258 HydrophobicContact CE2-CG1 3.74Å; Y233-V258 HydrophobicContact CG-CG1 4.32Å; N236-V258 HydrophobicContact CB-CG1 4.27Å; W237-V258 HydrophobicContact CB-CG2 3.53Å; Q254-V258 HydrophobicContact CG-CG2 4.11Å; Q254-V258 WeakPolarHBondContact O-CB 3.33Å; Q254-V258 WeakPolarHBondContact O-CG2 3.47Å; Q254-V258 PolarHBondContact O-N 3.44Å; V258-S260 VanDerWaalsContact C-N 3.26Å; V258-S260 PolarHBondContact O-N 3.24Å; V258-H261 PolarHBondContact O-N 3.15Å; V258-T262 VanDerWaalsContact O-CB 3.26Å; V258-T262 WeakPolarHBondContact O-CB 3.38Å; V258-T262 PolarHBondContact O-N 3.34Å; V258-T262 PolarHBondContact O-OG1 2.98Å; V258-V267 HydrophobicContact CG1-CG1 4.42Å; V258-V267 HydrophobicContact CG1-CG2 4.37Å
259	K	98.7	Very high	98.7	Very high	92 Å²	92	46.6 Å²	46.6	40%	0.4	24%	0.236	S	C	.	.	H	α-helix	trans	-60.7	-34.3	175	179.3	171.2	-178.3	172.3	0	113.3	Y255 L257 V267	Y255-K259 HydrophobicContact CE1-CD 4.32Å; Y255-K259 HydrophobicContact CE2-CB 4.45Å; Y255-K259 HydrophobicContact CE2-CD 4.16Å; Y255-K259 WeakPolarHBondContact O-CB 3.33Å; Y255-K259 PolarHBondContact O-N 3.48Å; Y255-K259 WeakPolarHBondContact OH-CD 3.26Å; Y255-K259 PolarHBondContact OH-NZ 3.08Å; L257-K259 VanDerWaalsContact C-N 3.33Å; L257-K259 PolarHBondContact O-N 2.85Å; K259-V267 HydrophobicContact CB-CB 3.93Å; K259-V267 HydrophobicContact CB-CG1 4.37Å; K259-V267 HydrophobicContact CG-CB 4.18Å
260	S	98.6	Very high	98.7	Very high	89 Å²	89	47.8 Å²	47.8	62%	0.622	24%	0.24	S	C	*	.	H	α-helix	trans	-76.4	-36.3	178.8	-169.9	0	0	0	0	112.3	H256 L257 V258	H256-S260 WeakPolarHBondContact O-CB 3.09Å; H256-S260 PolarHBondContact O-N 3Å; L257-S260 WeakPolarHBondContact O-CA 3.39Å; L257-S260 WeakPolarHBondContact O-CB 3.36Å; L257-S260 PolarHBondContact O-N 3.09Å; V258-S260 VanDerWaalsContact C-N 3.26Å; V258-S260 PolarHBondContact O-N 3.24Å
261	H	98.4	Very high	98.7	Very high	89 Å²	89	47 Å²	47	41%	0.412	24%	0.238	S	C	.	.	H	α-helix	trans	-82.3	-35	-178	-62.4	160.8	0	0	0	112.4	W232 N236 L257 V258 N263	W232-H261 PolarHBondContact NE1-O 2.76Å; W232-H261 VanDerWaalsContact NE1-O 3.08Å; N236-H261 HydrophobicContact CB-CB 4.41Å; N236-H261 WeakPolarHBondContact OD1-CB 3.45Å; L257-H261 PolarHBondContact O-N 2.99Å; V258-H261 PolarHBondContact O-N 3.15Å; H261-N263 PolarHBondContact O-N 3.28Å
262	T	98.6	Very high	98.7	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.012	25%	0.246	C	C	.	.			trans	-75.7	72	174.5	-52.3	0	0	0	0	110.7	N236 V258 T264 S265 V267	N236-T262 PolarHBondContact ND2-N 3.44Å; N236-T262 PolarHBondContact ND2-OG1 3.01Å; V258-T262 VanDerWaalsContact O-CB 3.26Å; V258-T262 WeakPolarHBondContact O-CB 3.38Å; V258-T262 PolarHBondContact O-N 3.34Å; V258-T262 PolarHBondContact O-OG1 2.98Å; T262-T264 VanDerWaalsContact C-N 3.25Å; T262-T264 PolarHBondContact O-N 3.03Å; T262-S265 WeakPolarHBondContact CG2-OG 2.82Å; T262-V267 HydrophobicContact CG2-CG2 3.82Å
263	N	98.1	Very high	98.7	Very high	119 Å²	119	50.5 Å²	50.5	64%	0.636	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	6.2	-176.5	65.9	-16.5	0	0	0	115.1	W232 H261	W232-N263 PolarHBondContact NE1-OD1 3.5Å; H261-N263 PolarHBondContact O-N 3.28Å
264	T	98.6	Very high	98.7	Very high	31 Å²	31	51.7 Å²	51.7	19%	0.19	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.5	-14.4	-177.6	52.9	0	0	0	0	113.7	Y217 T262 L304	Y217-T264 HydrophobicContact CD1-CG2 3.71Å; Y217-T264 VanDerWaalsContact CD2-CB 3.46Å; Y217-T264 HydrophobicContact CD2-CG2 4.43Å; Y217-T264 WeakPolarHBondContact CD2-OG1 3.31Å; Y217-T264 HydrophobicContact CE1-CG2 3.97Å; Y217-T264 WeakPolarHBondContact CE2-O 3.3Å; Y217-T264 VanDerWaalsContact CG-CB 3.45Å; Y217-T264 HydrophobicContact CG-CG2 3.97Å; T262-T264 VanDerWaalsContact C-N 3.25Å; T262-T264 PolarHBondContact O-N 3.03Å; T264-L304 HydrophobicContact CG2-CB 4.09Å; T264-L304 HydrophobicContact CG2-CD1 3.71Å; T264-L304 HydrophobicContact CG2-CG 4.41Å
265	S	98.8	Very high	98.7	Very high	14 Å²	14	51.8 Å²	51.8	10%	0.098	27%	0.268	C	S	.	.	S	Bend	trans	-146.6	173.9	177.3	58.2	0	0	0	0	110	A209 T262	A209-S265 WeakPolarHBondContact O-CB 3.31Å; A209-S265 PolarHBondContact O-OG 3.23Å; T262-S265 WeakPolarHBondContact CG2-OG 2.82Å
266	H	98.9	Very high	98.6	Very high	112 Å²	112	51.4 Å²	51.4	52%	0.519	27%	0.267	S	S	.	.			trans	-97.5	100.2	174.5	-58.5	81.7	0	0	0	109.4	A210 N211 E214 M268	A210-H266 CarbonylContact C-O 3.58Å; N211-H266 HydrophobicContact CB-CB 4.18Å; N211-H266 PolarHBondContact N-O 3.22Å; N211-H266 PolarHBondContact ND2-ND1 2.75Å; E214-H266 WeakPolarHBondContact OE1-CA 3.25Å; E214-H266 VanDerWaalsContact OE1-CB 3.29Å; E214-H266 WeakPolarHBondContact OE1-CB 3.21Å; E214-H266 IonicContact OE1-CG 2.94Å; E214-H266 PolarHBondContact OE1-N 3.4Å; E214-H266 IonicContact OE1-ND1 3.55Å; E214-H266 PolarHBondContact OE1-ND1 3.43Å; E214-H266 IonicContact OE2-CE1 3.72Å; E214-H266 IonicContact OE2-CG 2.62Å; E214-H266 IonicContact OE2-ND1 3.06Å; E214-H266 PolarHBondContact OE2-ND1 2.88Å; H266-M268 HydrophobicContact CB-SD 4.09Å; H266-M268 VanDerWaalsContact O-CG 3.3Å; H266-M268 WeakPolarHBondContact O-CG 3.08Å; H266-M268 PolarHBondContact O-N 3.31Å
267	V	98.9	Very high	98.6	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.006	27%	0.274	C	S	.	.			trans	-63.5	125.6	170.4	-177.6	0	0	0	0	109.5	T208 Y233 Y255 V258 K259 T262	T208-V267 VanDerWaalsContact O-CA 3.3Å; T208-V267 WeakPolarHBondContact O-CA 3.49Å; T208-V267 WeakPolarHBondContact O-CG1 3.21Å; Y233-V267 HydrophobicContact CD2-CG1 3.99Å; Y233-V267 HydrophobicContact CD2-CG2 3.96Å; Y233-V267 HydrophobicContact CE2-CG1 3.91Å; Y255-V267 HydrophobicContact CD2-CG1 4.14Å; Y255-V267 HydrophobicContact CE2-CG1 4.09Å; V258-V267 HydrophobicContact CG1-CG1 4.42Å; V258-V267 HydrophobicContact CG1-CG2 4.37Å; K259-V267 HydrophobicContact CB-CB 3.93Å; K259-V267 HydrophobicContact CB-CG1 4.37Å; K259-V267 HydrophobicContact CG-CB 4.18Å; T262-V267 HydrophobicContact CG2-CG2 3.82Å
268	M	98.9	Very high	98.6	Very high	56 Å²	56	50.2 Å²	50.2	28%	0.276	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	161.8	-175.5	-53.9	-60.4	-74.7	0	0	111.6	T207 T208 N211 H266 Y270	T207-M268 WeakPolarHBondContact CA-O 3.45Å; T208-M268 PolarHBondContact N-O 2.78Å; T208-M268 VanDerWaalsContact N-O 3.09Å; T208-M268 PolarHBondContact O-N 2.7Å; T208-M268 WeakPolarHBondContact OG1-CB 3.35Å; N211-M268 HydrophobicContact CB-CG 3.98Å; N211-M268 HydrophobicContact CB-SD 4.03Å; H266-M268 HydrophobicContact CB-SD 4.09Å; H266-M268 VanDerWaalsContact O-CG 3.3Å; H266-M268 WeakPolarHBondContact O-CG 3.08Å; H266-M268 PolarHBondContact O-N 3.31Å; M268-Y270 HydrophobicContact CB-CD2 4.39Å; M268-Y270 HydrophobicContact CB-CE2 3.46Å; M268-Y270 VanDerWaalsContact CB-CE2 3.46Å; M268-Y270 WeakPolarHBondContact CB-OH 3.21Å; M268-Y270 HydrophobicContact CG-CE2 4.41Å; M268-Y270 WeakPolarHBondContact CG-OH 3.4Å
269	Q	98.8	Very high	98.5	Very high	34 Å²	34	53 Å²	53	16%	0.159	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	143.1	170.5	63.2	173.2	-18.2	0	0	111.7	Y205 A206 T207 Y255	Y205-Q269 HydrophobicContact CE2-CB 3.9Å; Y205-Q269 PolarHBondContact OH-OE1 3.06Å; A206-Q269 CarbonylContact O-C 3.23Å; A206-Q269 WeakPolarHBondContact O-CA 3.32Å; T207-Q269 HydrophobicContact CG2-CB 4.45Å; Y255-Q269 HydrophobicContact CD2-CB 4.07Å; Y255-Q269 HydrophobicContact CE1-CG 4.06Å; Y255-Q269 HydrophobicContact CE2-CB 3.75Å; Y255-Q269 HydrophobicContact CE2-CG 3.96Å
270	Y	98.8	Very high	98.5	Very high	29 Å²	29	48.6 Å²	48.6	11%	0.114	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	171.9	-173.7	-54.3	-81	0	0	0	112.4	G192 M195 N196 Y205 A206 T208 M268	G192-Y270 VanDerWaalsContact CA-OH 3.29Å; G192-Y270 WeakPolarHBondContact CA-OH 3.46Å; G192-Y270 PolarHBondContact O-OH 3.16Å; M195-Y270 HydrophobicContact CB-CD2 3.45Å; M195-Y270 VanDerWaalsContact CB-CD2 3.45Å; M195-Y270 HydrophobicContact CB-CE2 4.03Å; M195-Y270 HydrophobicContact CB-CG 3.84Å; M195-Y270 WeakPolarHBondContact O-CB 3.44Å; M195-Y270 WeakPolarHBondContact O-CD1 3.21Å; N196-Y270 HydrophobicContact CB-CD1 4.46Å; N196-Y270 HydrophobicContact CB-CE1 3.86Å; Y205-Y270 WeakPolarHBondContact CD2-O 3.24Å; A206-Y270 PolarHBondContact N-O 3.49Å; A206-Y270 PolarHBondContact O-N 3.24Å; T208-Y270 HydrophobicContact CG2-CD2 4.11Å; T208-Y270 HydrophobicContact CG2-CE2 3.81Å; M268-Y270 HydrophobicContact CB-CD2 4.39Å; M268-Y270 HydrophobicContact CB-CE2 3.46Å; M268-Y270 VanDerWaalsContact CB-CE2 3.46Å; M268-Y270 WeakPolarHBondContact CB-OH 3.21Å; M268-Y270 HydrophobicContact CG-CE2 4.41Å; M268-Y270 WeakPolarHBondContact CG-OH 3.4Å
271	G	98.6	Very high	98.5	Very high	13 Å²	13	44.9 Å²	44.9	13%	0.134	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	70.5	-147.7	178.9	0	0	0	0	0	113.5	V204 K273	V204-G271 CarbonylContact O-C 3.59Å; V204-G271 WeakPolarHBondContact O-CA 3.23Å; G271-K273 PolarHBondContact O-N 3.26Å; G271-K273 VanDerWaalsContact O-N 3.14Å
272	N	98.4	Very high	98.4	Very high	32 Å²	32	41.7 Å²	41.7	17%	0.171	22%	0.218	C	C	.	.			trans	-79.2	96.4	-175.3	-166.5	-32.8	0	0	0	111.7	D200 V204 T274 I275	D200-N272 WeakPolarHBondContact O-CB 3.23Å; D200-N272 PolarHBondContact O-ND2 2.95Å; D200-N272 VanDerWaalsContact O-ND2 3.14Å; V204-N272 PolarHBondContact O-N 3.34Å; N272-T274 PolarHBondContact O-N 2.93Å; N272-T274 VanDerWaalsContact O-N 3.14Å; N272-T274 WeakPolarHBondContact OD1-CB 3.29Å; N272-T274 PolarHBondContact OD1-N 3.09Å; N272-T274 PolarHBondContact OD1-OG1 2.83Å; N272-I275 HydrophobicContact CB-CD1 3.96Å; N272-I275 HydrophobicContact CB-CG1 4.05Å; N272-I275 WeakPolarHBondContact O-CB 3.32Å; N272-I275 WeakPolarHBondContact O-CG1 3.37Å; N272-I275 PolarHBondContact O-N 3.07Å; N272-I275 VanDerWaalsContact O-N 3.08Å
273	K	98.5	Very high	98.4	Very high	118 Å²	118	41.7 Å²	41.7	51%	0.513	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-63.7	-19.2	-179.5	-62.3	177.8	-173.6	172.6	0	113.9	G271 I275 S276	G271-K273 PolarHBondContact O-N 3.26Å; G271-K273 VanDerWaalsContact O-N 3.14Å; K273-I275 PolarHBondContact O-N 2.91Å; K273-S276 VanDerWaalsContact O-CB 3.32Å; K273-S276 WeakPolarHBondContact O-CB 3.32Å; K273-S276 PolarHBondContact O-N 2.97Å; K273-S276 PolarHBondContact O-OG 2.86Å
274	T	98.4	Very high	98.4	Very high	104 Å²	104	36 Å²	36	64%	0.638	19%	0.188	S	C	*	.	G	3₁₀ helix	trans	-62.7	-28.4	174.6	-52.8	0	0	0	0	111.3	N272 S276 T277	N272-T274 PolarHBondContact O-N 2.93Å; N272-T274 VanDerWaalsContact O-N 3.14Å; N272-T274 WeakPolarHBondContact OD1-CB 3.29Å; N272-T274 PolarHBondContact OD1-N 3.09Å; N272-T274 PolarHBondContact OD1-OG1 2.83Å; T274-S276 PolarHBondContact O-N 3.29Å; T274-T277 PolarHBondContact O-N 3.01Å; T274-T277 PolarHBondContact O-OG1 2.86Å
275	I	98.6	Very high	98.3	Very high	3 Å²	3	34.5 Å²	34.5	2%	0.015	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-62.4	-30.2	173.9	-57.4	-178.2	0	0	0	110.9	K181 V183 N203 L251 N272 K273 T277 M278 F283	K181-I275 HydrophobicContact CD-CD1 3.85Å; K181-I275 HydrophobicContact CD-CG1 3.97Å; V183-I275 HydrophobicContact CG2-CG2 4.12Å; N203-I275 VanDerWaalsContact O-CD1 3.27Å; N203-I275 WeakPolarHBondContact O-CD1 3.41Å; L251-I275 HydrophobicContact CD1-CG2 4.36Å; N272-I275 HydrophobicContact CB-CD1 3.96Å; N272-I275 HydrophobicContact CB-CG1 4.05Å; N272-I275 WeakPolarHBondContact O-CB 3.32Å; N272-I275 WeakPolarHBondContact O-CG1 3.37Å; N272-I275 PolarHBondContact O-N 3.07Å; N272-I275 VanDerWaalsContact O-N 3.08Å; K273-I275 PolarHBondContact O-N 2.91Å; I275-T277 PolarHBondContact O-N 3.27Å; I275-M278 HydrophobicContact CG2-SD 3.88Å; I275-M278 WeakPolarHBondContact O-CB 3.4Å; I275-M278 VanDerWaalsContact O-CG 3.29Å; I275-M278 WeakPolarHBondContact O-CG 3.27Å; I275-M278 PolarHBondContact O-N 3.27Å; I275-F283 HydrophobicContact CG2-CE2 4.37Å; I275-F283 HydrophobicContact CG2-CZ 3.96Å
276	S	98.4	Very high	97.9	Very high	4 Å²	4	38.5 Å²	38.5	3%	0.028	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-65	-14.1	-179.3	74.9	0	0	0	0	113.7	L251 H252 K273 T274 M278	L251-S276 PolarHBondContact N-O 3.28Å; H252-S276 VanDerWaalsContact CB-O 3.24Å; H252-S276 WeakPolarHBondContact CB-O 3.44Å; H252-S276 PolarHBondContact N-O 2.84Å; K273-S276 VanDerWaalsContact O-CB 3.32Å; K273-S276 WeakPolarHBondContact O-CB 3.32Å; K273-S276 PolarHBondContact O-N 2.97Å; K273-S276 PolarHBondContact O-OG 2.86Å; T274-S276 PolarHBondContact O-N 3.29Å; S276-M278 VanDerWaalsContact C-N 3.25Å; S276-M278 PolarHBondContact O-N 2.98Å
277	T	98.4	Very high	96.9	Very high	91 Å²	91	35.4 Å²	35.4	56%	0.558	18%	0.182	S	C	*	.	G	3₁₀ helix	trans	-76.2	-15.5	173.8	69.2	0	0	0	0	112.9	T250 T274 I275	T250-T277 VanDerWaalsContact CG2-O 3.25Å; T250-T277 WeakPolarHBondContact CG2-O 3.5Å; T274-T277 PolarHBondContact O-N 3.01Å; T274-T277 PolarHBondContact O-OG1 2.86Å; I275-T277 PolarHBondContact O-N 3.27Å
278	M	98.1	Very high	95.8	Very high	18 Å²	18	44.5 Å²	44.5	9%	0.089	22%	0.224	C	C	.	.	S	Bend	trans	-67.7	157.5	175.6	-63.1	177.7	68.4	0	0	111.2	H140 K181 T250 L251 I275 S276 Q282 F283	H140-M278 WeakPolarHBondContact CE1-CE 3.32Å; K181-M278 HydrophobicContact CB-SD 4.45Å; K181-M278 HydrophobicContact CD-SD 4.27Å; K181-M278 HydrophobicContact CG-CE 4.1Å; K181-M278 HydrophobicContact CG-SD 3.87Å; T250-M278 CarbonylContact C-O 3.51Å; T250-M278 VanDerWaalsContact CA-O 3.22Å; T250-M278 WeakPolarHBondContact CA-O 3.27Å; L251-M278 PolarHBondContact N-O 3.19Å; I275-M278 HydrophobicContact CG2-SD 3.88Å; I275-M278 WeakPolarHBondContact O-CB 3.4Å; I275-M278 VanDerWaalsContact O-CG 3.29Å; I275-M278 WeakPolarHBondContact O-CG 3.27Å; I275-M278 PolarHBondContact O-N 3.27Å; S276-M278 VanDerWaalsContact C-N 3.25Å; S276-M278 PolarHBondContact O-N 2.98Å; M278-Q282 HydrophobicContact CE-CB 4.3Å; M278-F283 HydrophobicContact CB-CE2 4.03Å; M278-F283 HydrophobicContact CE-CE2 3.81Å; M278-F283 HydrophobicContact CE-CZ 3.91Å; M278-F283 HydrophobicContact SD-CE2 3.99Å; M278-F283 HydrophobicContact SD-CZ 3.99Å
279	K	97.9	Very high	94.8	Very high	62 Å²	62	45.5 Å²	45.5	27%	0.27	23%	0.227	S	C	.	.	B	Isolated β-bridge	trans	-76.3	146.5	-178.3	-53.2	-57	-173.3	-173.7	0	111.3	T247 K248 E249 T250 M281 Q282	T247-K279 WeakPolarHBondContact O-CD 3.21Å; T247-K279 WeakPolarHBondContact O-CG 3.36Å; K248-K279 WeakPolarHBondContact O-CD 3.4Å; K248-K279 PolarHBondContact O-NZ 3.2Å; E249-K279 CarbonylContact O-C 3.59Å; E249-K279 WeakPolarHBondContact O-CA 3.48Å; T250-K279 HydrophobicContact CG2-CD 4.15Å; K279-M281 PolarHBondContact O-N 3.46Å; K279-Q282 HydrophobicContact CB-CG 4.14Å; K279-Q282 WeakPolarHBondContact O-CB 3.47Å; K279-Q282 PolarHBondContact O-N 3.17Å
280	V	98.5	Very high	94	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-37.8	175.8	177.5	0	0	0	0	110.3	L246 E249 L251 Q254 Q282 F283 Q284	L246-V280 HydrophobicContact CB-CB 4.2Å; L246-V280 HydrophobicContact CB-CG1 4.37Å; L246-V280 HydrophobicContact CD1-CG1 4.21Å; L246-V280 HydrophobicContact CD2-CB 3.97Å; L246-V280 HydrophobicContact CD2-CG1 3.65Å; L246-V280 HydrophobicContact CG-CG1 4.29Å; E249-V280 HydrophobicContact CB-CG2 4.27Å; E249-V280 HydrophobicContact CG-CG2 3.82Å; E249-V280 PolarHBondContact O-N 3.39Å; L251-V280 HydrophobicContact CD2-CG2 4.32Å; Q254-V280 HydrophobicContact CB-CG2 4.14Å; V280-Q282 PolarHBondContact O-N 3.12Å; V280-F283 PolarHBondContact O-N 3.02Å; V280-Q284 HydrophobicContact CG1-CB 4.06Å; V280-Q284 HydrophobicContact CG1-CG 3.95Å; V280-Q284 PolarHBondContact O-N 2.87Å
281	M	97.4	Very high	93.2	Very high	10 Å²	10	46.9 Å²	46.9	5%	0.049	25%	0.248	C	C	.	.	H	α-helix	trans	-57.7	-23.4	176.4	-161.6	70.9	-178.1	0	0	113.9	N59 L246 T247 K279 F283 G285 M286 K289	N59-M281 HydrophobicContact CB-CE 3.93Å; N59-M281 HydrophobicContact CB-SD 4.2Å; L246-M281 HydrophobicContact CB-CB 3.98Å; L246-M281 HydrophobicContact CB-SD 3.99Å; L246-M281 HydrophobicContact CD1-SD 4.37Å; L246-M281 WeakPolarHBondContact O-CB 3.45Å; L246-M281 PolarHBondContact O-N 3.37Å; T247-M281 HydrophobicContact CG2-CB 4.36Å; T247-M281 HydrophobicContact CG2-CG 4.12Å; K279-M281 PolarHBondContact O-N 3.46Å; M281-F283 PolarHBondContact O-N 2.91Å; M281-G285 CarbonylContact O-C 3.54Å; M281-G285 PolarHBondContact O-N 3.23Å; M281-G285 VanDerWaalsContact O-O 3.07Å; M281-M286 VanDerWaalsContact CE-O 3.26Å; M281-M286 WeakPolarHBondContact CE-O 3.32Å; M281-K289 HydrophobicContact CE-CB 3.84Å
282	Q	97.7	Very high	92.5	Very high	23 Å²	23	48.7 Å²	48.7	11%	0.107	26%	0.259	C	S	.	.	H	α-helix	trans	-75.7	-7.4	178.9	-61.4	-176.8	-86.9	0	0	113.4	D25 H29 H140 M278 K279 V280	D25-Q282 WeakPolarHBondContact OD2-CG 3.38Å; D25-Q282 PolarHBondContact OD2-NE2 2.81Å; H29-Q282 PolarHBondContact CD2-O 3.23Å; H29-Q282 PolarHBondContact CE1-O 3.36Å; H29-Q282 PolarHBondContact ND1-O 3.21Å; H29-Q282 PolarHBondContact NE2-O 2.98Å; H140-Q282 WeakPolarHBondContact CB-O 3.3Å; H140-Q282 PolarHBondContact ND1-O 2.81Å; M278-Q282 HydrophobicContact CE-CB 4.3Å; K279-Q282 HydrophobicContact CB-CG 4.14Å; K279-Q282 WeakPolarHBondContact O-CB 3.47Å; K279-Q282 PolarHBondContact O-N 3.17Å; V280-Q282 PolarHBondContact O-N 3.12Å
283	F	98.6	Very high	92	Very high	1 Å²	1	50.7 Å²	50.7	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-127.3	-32.3	178.2	-66.3	-85.3	0	0	0	112.2	H140 F142 K181 V183 L251 I275 M278 V280 M281	H140-F283 HydrophobicContact CB-CD1 3.98Å; H140-F283 HydrophobicContact CB-CE1 3.84Å; F142-F283 HydrophobicContact CB-CB 4.19Å; F142-F283 HydrophobicContact CG-CB 4.48Å; K181-F283 HydrophobicContact CB-CE1 3.93Å; K181-F283 HydrophobicContact CB-CZ 3.71Å; V183-F283 HydrophobicContact CB-CD1 3.9Å; V183-F283 HydrophobicContact CB-CE1 4.13Å; V183-F283 HydrophobicContact CB-CG 4.33Å; V183-F283 HydrophobicContact CG2-CD1 3.56Å; V183-F283 HydrophobicContact CG2-CD2 4.12Å; V183-F283 HydrophobicContact CG2-CE1 3.39Å; V183-F283 HydrophobicContact CG2-CE2 3.97Å; V183-F283 HydrophobicContact CG2-CG 3.93Å; V183-F283 HydrophobicContact CG2-CZ 3.6Å; L251-F283 HydrophobicContact CD1-CD2 3.71Å; L251-F283 HydrophobicContact CD1-CE2 3.64Å; L251-F283 HydrophobicContact CD1-CZ 4.47Å; L251-F283 HydrophobicContact CD2-CD2 4.48Å; L251-F283 HydrophobicContact CG-CD2 4.38Å; I275-F283 HydrophobicContact CG2-CE2 4.37Å; I275-F283 HydrophobicContact CG2-CZ 3.96Å; M278-F283 HydrophobicContact CB-CE2 4.03Å; M278-F283 HydrophobicContact CE-CE2 3.81Å; M278-F283 HydrophobicContact CE-CZ 3.91Å; M278-F283 HydrophobicContact SD-CE2 3.99Å; M278-F283 HydrophobicContact SD-CZ 3.99Å; V280-F283 PolarHBondContact O-N 3.02Å; M281-F283 PolarHBondContact O-N 2.91Å
284	Q	98.4	Very high	91.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-108	8.8	-175.6	-61	-179.9	19.2	0	0	114.3	I56 N59 F142 S241 Q254 V280	I56-Q284 VanDerWaalsContact CD1-CA 3.41Å; I56-Q284 HydrophobicContact CD1-CB 3.76Å; I56-Q284 HydrophobicContact CD1-CG 4.09Å; N59-Q284 VanDerWaalsContact CB-O 3.32Å; N59-Q284 WeakPolarHBondContact CB-O 3.32Å; F142-Q284 HydrophobicContact CD1-CG 4.26Å; F142-Q284 HydrophobicContact CE1-CG 4.11Å; F142-Q284 HydrophobicContact CZ-CG 4.4Å; S241-Q284 PolarHBondContact OG-OE1 2.77Å; Q254-Q284 VanDerWaalsContact OE1-NE2 3.1Å; V280-Q284 HydrophobicContact CG1-CB 4.06Å; V280-Q284 HydrophobicContact CG1-CG 3.95Å; V280-Q284 PolarHBondContact O-N 2.87Å
285	G	95.4	Very high	91.4	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-156	-179.9	-178.6	0	0	0	0	0	113.5	H29 I61 M281	H29-G285 PolarHBondContact ND1-O 3.01Å; I61-G285 WeakPolarHBondContact CG1-O 3.2Å; M281-G285 CarbonylContact O-C 3.54Å; M281-G285 PolarHBondContact O-N 3.23Å; M281-G285 VanDerWaalsContact O-O 3.07Å
286	M	89.9	Confident	91.2	Very high	98 Å²	98	50.9 Å²	50.9	48%	0.483	29%	0.285	S	S	.	.			trans	-91.8	147.9	174.7	-163.8	178	-165.1	0	0	111.5	N59 M281 K289	N59-M286 PolarHBondContact O-N 2.96Å; M281-M286 VanDerWaalsContact CE-O 3.26Å; M281-M286 WeakPolarHBondContact CE-O 3.32Å; M286-K289 HydrophobicContact CB-CB 4.4Å; M286-K289 PolarHBondContact O-N 3.47Å
287	K	77.6	Confident	91	Very high	46 Å²	46	55 Å²	55	20%	0.2	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	148.3	173.6	-59.2	177.9	-172.6	-172.8	0	111.8	D25 G27 H29 K289	D25-K287 VanDerWaalsContact CG-NZ 3.32Å; D25-K287 WeakPolarHBondContact O-CD 3.43Å; D25-K287 WeakPolarHBondContact O-CE 3.31Å; D25-K287 PolarHBondContact O-NZ 3.28Å; D25-K287 WeakPolarHBondContact OD1-CE 3.33Å; D25-K287 IonicContact OD1-NZ 3.81Å; D25-K287 PolarHBondContact OD1-NZ 3Å; G27-K287 WeakPolarHBondContact O-CE 3.37Å; G27-K287 PolarHBondContact O-NZ 3.47Å; H29-K287 WeakPolarHBondContact NE2-CE 3.45Å; K287-K289 PolarHBondContact O-N 2.72Å
288	H	76.4	Confident	90.7	Very high	192 Å²	192	56.9 Å²	56.9	89%	0.889	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	9.9	177.7	-50.8	-59.3	0	0	0	115
289	K	79	Confident	90.6	Very high	78 Å²	78	57.8 Å²	57.8	34%	0.339	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-90.6	135.7	169.2	-161	-177	-172.7	-179.6	0	108.1	R58 N59 G60 M281 M286 K287	R58-K289 PolarHBondContact O-NZ 3.18Å; N59-K289 VanDerWaalsContact O-CD 3.24Å; N59-K289 WeakPolarHBondContact O-CD 3.16Å; G60-K289 VanDerWaalsContact CA-NZ 3.29Å; M281-K289 HydrophobicContact CE-CB 3.84Å; M286-K289 HydrophobicContact CB-CB 4.4Å; M286-K289 PolarHBondContact O-N 3.47Å; K287-K289 PolarHBondContact O-N 2.72Å
290	A	82.1	Confident	90.2	Very high	74 Å²	74	60.5 Å²	60.5	61%	0.612	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-68	144.4	168.7	0	0	0	0	0	109.4
291	S	81.4	Confident	90	Very high	17 Å²	17	66.5 Å²	66.5	12%	0.119	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-57.3	147.9	167.7	-62.6	0	0	0	0	110.1	D245 L246 T247 P293	D245-S291 PolarHBondContact OD1-OG 3.02Å; L246-S291 WeakPolarHBondContact CB-OG 3.44Å; L246-S291 PolarHBondContact N-OG 2.88Å; T247-S291 PolarHBondContact N-OG 2.92Å; S291-P293 WeakPolarHBondContact O-CD 3.4Å
292	S	83.4	Confident	90	Very high	51 Å²	51	69.1 Å²	69.1	36%	0.357	40%	0.395	S	S	.	.			trans	-119.1	79.1	177.1	-61.5	0	0	0	0	109.4	R58	R58-S292 PolarHBondContact NE-O 3.49Å
293	P	87.8	Confident	90	Very high	75 Å²	75	70.1 Å²	70.1	49%	0.487	40%	0.402	S	S	.	.	P	Polyproline II helix	trans	-66.8	144.9	-176.7	-20	33.3	0	0	0	112.5	D242 V243 S291	D242-P293 CarbonylContact O-C 2.98Å; D242-P293 VanDerWaalsContact O-CA 3.25Å; D242-P293 WeakPolarHBondContact O-CA 3.3Å; V243-P293 WeakPolarHBondContact O-CB 3.3Å; S291-P293 WeakPolarHBondContact O-CD 3.4Å
294	L	92.2	Very high	90	Very high	73 Å²	73	72.6 Å²	72.6	38%	0.382	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-97.2	164.6	170.7	-61.1	-171.2	0	0	0	111	R58 D242 L296	R58-L294 VanDerWaalsContact NH1-CG 3.35Å; D242-L294 PolarHBondContact O-N 3.02Å; L294-L296 HydrophobicContact CB-CD2 4.47Å
295	S	92.4	Very high	90	Very high	115 Å²	115	73.4 Å²	73.4	80%	0.804	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-103.1	118.7	165.3	-174.7	0	0	0	0	108.4
296	L	94	Very high	90.2	Very high	41 Å²	41	75 Å²	75	22%	0.215	43%	0.43	C	S	.	.			trans	-104.2	118.6	179.9	-62.8	178.6	0	0	0	109.9	R89 E239 D242 V243 L294	R89-L296 VanDerWaalsContact NH1-CD1 3.34Å; E239-L296 HydrophobicContact CB-CD1 3.71Å; E239-L296 HydrophobicContact CG-CD1 4Å; E239-L296 WeakPolarHBondContact O-CD1 3.39Å; D242-L296 HydrophobicContact CB-CD1 3.78Å; D242-L296 HydrophobicContact CB-CG 4.45Å; V243-L296 HydrophobicContact CG1-CB 4.15Å; V243-L296 HydrophobicContact CG1-CD1 3.48Å; V243-L296 VanDerWaalsContact CG1-CD1 3.48Å; V243-L296 HydrophobicContact CG1-CG 3.62Å; L294-L296 HydrophobicContact CB-CD2 4.47Å
297	P	94.1	Very high	90.6	Very high	91 Å²	91	70.3 Å²	70.3	59%	0.591	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-62.8	141.6	174.1	-22.4	33.5	0	0	0	111.3	R89 V299	R89-P297 PolarHBondContact NH2-O 3.22Å; P297-V299 PolarHBondContact O-N 3.49Å
298	P	93	Very high	91.6	Very high	129 Å²	129	68.9 Å²	68.9	84%	0.838	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-57	139.5	175.3	-23.5	33.1	0	0	0	112.2
299	V	95.4	Very high	92.6	Very high	37 Å²	37	62.4 Å²	62.4	22%	0.224	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-95.7	135	173.7	-178.6	0	0	0	0	109.3	P90 Y220 P297 H301	P90-V299 HydrophobicContact CB-CG1 4.37Å; P90-V299 HydrophobicContact CG-CG1 3.73Å; Y220-V299 HydrophobicContact CD1-CG1 4.03Å; Y220-V299 HydrophobicContact CE1-CB 4.23Å; Y220-V299 HydrophobicContact CE1-CG1 3.77Å; Y220-V299 HydrophobicContact CE1-CG2 4.3Å; P297-V299 PolarHBondContact O-N 3.49Å; V299-H301 VanDerWaalsContact CG1-O 3.23Å; V299-H301 WeakPolarHBondContact CG1-O 3.21Å
300	T	89.9	Confident	93.6	Very high	119 Å²	119	58.7 Å²	58.7	73%	0.73	36%	0.358	S	S	*	.	S	Bend	trans	-92	-26.5	-177.2	55.2	0	0	0	0	113.8
301	H	93.9	Very high	94.3	Very high	127 Å²	127	55.6 Å²	55.6	59%	0.588	33%	0.332	S	S	*	.			trans	-128	121.5	-177.6	-58.1	-67.6	0	0	0	110.1	V299	V299-H301 VanDerWaalsContact CG1-O 3.23Å; V299-H301 WeakPolarHBondContact CG1-O 3.21Å
302	L	97.6	Very high	95.1	Very high	64 Å²	64	55.1 Å²	55.1	34%	0.335	33%	0.328	S	S	.	.			trans	-95.8	-25.7	-177.5	-55.5	179.2	0	0	0	112.6	C219 Y220 W232 L304	C219-L302 CarbonylContact C-O 3.32Å; C219-L302 VanDerWaalsContact CA-O 3.28Å; C219-L302 WeakPolarHBondContact CA-O 3.48Å; C219-L302 WeakPolarHBondContact CB-O 3.39Å; Y220-L302 HydrophobicContact CE1-CD2 3.78Å; Y220-L302 PolarHBondContact N-O 3.12Å; W232-L302 HydrophobicContact CH2-CB 4.5Å; W232-L302 HydrophobicContact CH2-CD1 3.56Å; W232-L302 HydrophobicContact CH2-CD2 3.75Å; W232-L302 HydrophobicContact CH2-CG 4.12Å; W232-L302 HydrophobicContact CZ2-CD1 3.99Å; W232-L302 HydrophobicContact CZ3-CB 4.45Å; W232-L302 HydrophobicContact CZ3-CD1 4.29Å; W232-L302 HydrophobicContact CZ3-CD2 3.87Å; W232-L302 HydrophobicContact CZ3-CG 4.42Å; L302-L304 HydrophobicContact CB-CD2 3.85Å; L302-L304 HydrophobicContact CB-CG 3.86Å; L302-L304 HydrophobicContact CD1-CD1 4.39Å; L302-L304 PolarHBondContact O-N 3.3Å; L302-L304 VanDerWaalsContact O-N 3.13Å
303	D	98.1	Very high	95.8	Very high	44 Å²	44	54.4 Å²	54.4	24%	0.235	32%	0.321	C	S	.	.			trans	49.4	37	179.3	-59.8	-84.3	0	0	0	114.6	Y228 T305 R317	Y228-D303 HydrophobicContact CE1-CB 4.07Å; Y228-D303 VanDerWaalsContact CE1-O 3.28Å; Y228-D303 WeakPolarHBondContact CE1-O 3.4Å; D303-T305 PolarHBondContact O-N 3.36Å; D303-T305 PolarHBondContact O-OG1 3.42Å; D303-R317 IonicContact OD1-CZ 3.69Å; D303-R317 IonicContact OD1-NH1 2.77Å; D303-R317 PolarHBondContact OD1-NH1 2.96Å; D303-R317 IonicContact OD1-NH2 3.36Å; D303-R317 PolarHBondContact OD1-NH2 3.2Å
304	L	98.7	Very high	96.3	Very high	54 Å²	54	50.9 Å²	50.9	28%	0.283	30%	0.298	S	S	.	.			trans	-57.4	114.4	-173.8	-54.8	-178.9	0	0	0	111.9	Y217 A218 C219 W232 T264 L302	Y217-L304 HydrophobicContact CD1-CB 4.49Å; A218-L304 WeakPolarHBondContact O-CA 3.31Å; C219-L304 HydrophobicContact CB-CD2 3.78Å; W232-L304 HydrophobicContact CB-CD2 4.3Å; W232-L304 HydrophobicContact CD2-CD1 4.49Å; W232-L304 HydrophobicContact CD2-CD2 3.33Å; W232-L304 HydrophobicContact CE3-CD2 3.46Å; W232-L304 VanDerWaalsContact CE3-CD2 3.46Å; W232-L304 HydrophobicContact CG-CD2 3.72Å; W232-L304 HydrophobicContact CH2-CD2 4.32Å; W232-L304 HydrophobicContact CZ2-CD1 4.28Å; W232-L304 HydrophobicContact CZ2-CD2 4.19Å; W232-L304 HydrophobicContact CZ3-CD2 3.97Å; T264-L304 HydrophobicContact CG2-CB 4.09Å; T264-L304 HydrophobicContact CG2-CD1 3.71Å; T264-L304 HydrophobicContact CG2-CG 4.41Å; L302-L304 HydrophobicContact CB-CD2 3.85Å; L302-L304 HydrophobicContact CB-CG 3.86Å; L302-L304 HydrophobicContact CD1-CD1 4.39Å; L302-L304 PolarHBondContact O-N 3.3Å; L302-L304 VanDerWaalsContact O-N 3.13Å
305	T	98.8	Very high	96.6	Very high	16 Å²	16	47.4 Å²	47.4	10%	0.098	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	129.4	-173.3	-55.7	0	0	0	0	109.7	Y217 A218 Y228 D303 S307 D309 V310 T313	Y217-T305 CarbonylContact C-O 3.56Å; Y217-T305 VanDerWaalsContact CA-O 3.32Å; Y217-T305 WeakPolarHBondContact CA-O 3.38Å; Y217-T305 VanDerWaalsContact CD1-C 3.41Å; A218-T305 PolarHBondContact N-O 2.97Å; A218-T305 PolarHBondContact O-N 3.42Å; Y228-T305 WeakPolarHBondContact CE1-OG1 3.4Å; Y228-T305 WeakPolarHBondContact OH-CB 3.47Å; Y228-T305 PolarHBondContact OH-OG1 3.13Å; D303-T305 PolarHBondContact O-N 3.36Å; D303-T305 PolarHBondContact O-OG1 3.42Å; T305-S307 PolarHBondContact O-N 2.97Å; T305-D309 HydrophobicContact CG2-CB 4.32Å; T305-V310 HydrophobicContact CG2-CG2 4.34Å; T305-T313 HydrophobicContact CG2-CG2 4.3Å
306	P	98.7	Very high	96.9	Very high	34 Å²	34	46.9 Å²	46.9	22%	0.221	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	133.1	174.9	-20.3	28.7	0	0	0	110.3	Y217 P308 D309 V310	Y217-P306 HydrophobicContact CD1-CG 4.21Å; Y217-P306 HydrophobicContact CE1-CB 4.18Å; Y217-P306 HydrophobicContact CE1-CG 3.54Å; P306-P308 VanDerWaalsContact C-N 3.29Å; P306-P308 VanDerWaalsContact O-N 3.13Å; P306-D309 PolarHBondContact O-N 2.89Å; P306-V310 PolarHBondContact O-N 2.69Å
307	S	98.6	Very high	97	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-46.4	-44.6	-178.8	175.1	0	0	0	0	113.8	R44 H148 S216 T305 D309 V310	R44-S307 PolarHBondContact NH2-OG 3.18Å; R44-S307 VanDerWaalsContact NH2-OG 3.17Å; H148-S307 PolarHBondContact CE1-OG 2.84Å; H148-S307 PolarHBondContact ND1-OG 3.34Å; S216-S307 PolarHBondContact O-N 2.78Å; T305-S307 PolarHBondContact O-N 2.97Å; S307-D309 PolarHBondContact O-N 2.72Å; S307-D309 VanDerWaalsContact O-N 3.08Å; S307-V310 WeakPolarHBondContact O-CB 3.34Å; S307-V310 WeakPolarHBondContact O-CG2 3.19Å; S307-V310 PolarHBondContact O-N 2.66Å; S307-V310 VanDerWaalsContact O-N 3.13Å
308	P	98.2	Very high	97.2	Very high	16 Å²	16	45.9 Å²	45.9	10%	0.104	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-65.6	-18.8	-178.2	-19.8	34	0	0	0	114.5	S215 P306 R342 Y400 R403	S215-P308 WeakPolarHBondContact OG-CG 3.45Å; P306-P308 VanDerWaalsContact C-N 3.29Å; P306-P308 VanDerWaalsContact O-N 3.13Å; P308-R342 PolarHBondContact O-NH2 3.17Å; P308-Y400 HydrophobicContact CB-CD2 4.32Å; P308-Y400 HydrophobicContact CB-CE2 4.41Å; P308-R403 HydrophobicContact CB-CG 4Å; P308-R403 HydrophobicContact CG-CG 4.14Å
309	D	98.4	Very high	97.3	Very high	56 Å²	56	42.3 Å²	42.3	30%	0.299	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-98.3	-2.8	-178.1	-69	-32.3	0	0	0	113.3	T305 P306 S307 L312 T313 R342	T305-D309 HydrophobicContact CG2-CB 4.32Å; P306-D309 PolarHBondContact O-N 2.89Å; S307-D309 PolarHBondContact O-N 2.72Å; S307-D309 VanDerWaalsContact O-N 3.08Å; D309-L312 PolarHBondContact O-N 3.33Å; D309-T313 VanDerWaalsContact O-CB 3.31Å; D309-T313 WeakPolarHBondContact O-CB 3.41Å; D309-T313 PolarHBondContact O-N 3.04Å; D309-T313 PolarHBondContact O-OG1 3.28Å; D309-R342 IonicContact OD1-CZ 3.07Å; D309-R342 IonicContact OD1-NH1 3.59Å; D309-R342 PolarHBondContact OD1-NH1 3.03Å; D309-R342 IonicContact OD1-NH2 3.91Å; D309-R342 PolarHBondContact OD1-NH2 3.34Å
310	V	98.6	Very high	97.3	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-55.2	-53.7	-179.6	164.9	0	0	0	0	112.2	A218 Y228 T305 P306 S307 L312 T313 I314	A218-V310 HydrophobicContact CB-CG2 3.48Å; A218-V310 VanDerWaalsContact CB-CG2 3.48Å; Y228-V310 HydrophobicContact CD2-CB 4.39Å; Y228-V310 HydrophobicContact CD2-CG1 3.6Å; Y228-V310 HydrophobicContact CD2-CG2 4.14Å; Y228-V310 HydrophobicContact CE2-CB 4.42Å; Y228-V310 HydrophobicContact CE2-CG1 3.97Å; Y228-V310 HydrophobicContact CE2-CG2 4.22Å; T305-V310 HydrophobicContact CG2-CG2 4.34Å; P306-V310 PolarHBondContact O-N 2.69Å; S307-V310 WeakPolarHBondContact O-CB 3.34Å; S307-V310 WeakPolarHBondContact O-CG2 3.19Å; S307-V310 PolarHBondContact O-N 2.66Å; S307-V310 VanDerWaalsContact O-N 3.13Å; V310-L312 PolarHBondContact O-N 3.3Å; V310-T313 PolarHBondContact O-N 3.28Å; V310-T313 VanDerWaalsContact O-N 3.13Å; V310-I314 HydrophobicContact CG1-CD1 3.63Å; V310-I314 HydrophobicContact CG1-CG1 4.25Å; V310-I314 WeakPolarHBondContact O-CG1 3.43Å; V310-I314 PolarHBondContact O-N 2.95Å
311	P	97.7	Very high	97.6	Very high	8 Å²	8	46.7 Å²	46.7	5%	0.052	24%	0.235	C	C	.	.	H	α-helix	trans	-58.9	-47.2	-177.1	-26.4	35.8	0	0	0	113.1	Y41 T313 I314 M315	Y41-P311 HydrophobicContact CD2-CB 3.8Å; Y41-P311 HydrophobicContact CD2-CG 4.22Å; Y41-P311 HydrophobicContact CE2-CB 4.12Å; Y41-P311 HydrophobicContact CG-CB 4.44Å; P311-T313 VanDerWaalsContact C-N 3.32Å; P311-T313 PolarHBondContact O-N 3.31Å; P311-I314 PolarHBondContact O-N 3.21Å; P311-M315 HydrophobicContact CB-CE 4.31Å; P311-M315 WeakPolarHBondContact O-CE 3.49Å; P311-M315 PolarHBondContact O-N 2.91Å
312	L	98.2	Very high	97.6	Very high	7 Å²	7	41.7 Å²	41.7	4%	0.037	21%	0.213	C	C	.	.	H	α-helix	trans	-64.5	-36.7	177.9	-76.3	-177.1	0	0	0	112.3	D309 V310 M315 K316 I335 H338 L339 R342	D309-L312 PolarHBondContact O-N 3.33Å; V310-L312 PolarHBondContact O-N 3.3Å; L312-M315 HydrophobicContact CD2-CE 3.92Å; L312-K316 WeakPolarHBondContact O-CB 3.33Å; L312-K316 WeakPolarHBondContact O-CG 3.36Å; L312-K316 PolarHBondContact O-N 3.37Å; L312-I335 HydrophobicContact CD2-CG2 4.34Å; L312-H338 HydrophobicContact CD2-CB 3.66Å; L312-H338 HydrophobicContact CG-CB 4.42Å; L312-L339 HydrophobicContact CD1-CD2 3.94Å; L312-R342 VanDerWaalsContact CD1-CZ 3.4Å
313	T	98.4	Very high	97.5	Very high	37 Å²	37	46.3 Å²	46.3	23%	0.227	24%	0.238	C	C	.	.	H	α-helix	trans	-70	-41.9	179.2	-55.6	0	0	0	0	110.9	Y228 T305 D309 V310 P311 K316 R317	Y228-T313 WeakPolarHBondContact OH-CG2 3.47Å; T305-T313 HydrophobicContact CG2-CG2 4.3Å; D309-T313 VanDerWaalsContact O-CB 3.31Å; D309-T313 WeakPolarHBondContact O-CB 3.41Å; D309-T313 PolarHBondContact O-N 3.04Å; D309-T313 PolarHBondContact O-OG1 3.28Å; V310-T313 PolarHBondContact O-N 3.28Å; V310-T313 VanDerWaalsContact O-N 3.13Å; P311-T313 VanDerWaalsContact C-N 3.32Å; P311-T313 PolarHBondContact O-N 3.31Å; T313-K316 PolarHBondContact O-N 2.87Å; T313-R317 HydrophobicContact CG2-CG 4.49Å; T313-R317 WeakPolarHBondContact O-CB 3.32Å; T313-R317 VanDerWaalsContact O-CG 3.3Å; T313-R317 WeakPolarHBondContact O-CG 3.48Å; T313-R317 PolarHBondContact O-N 3.37Å
314	I	98.3	Very high	97.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-55.2	-55.2	172.4	-68.7	169.1	0	0	0	110.1	Y41 Y221 S226 Y228 V310 P311 K316 R317 K318	Y41-I314 HydrophobicContact CD1-CD1 3.62Å; Y41-I314 HydrophobicContact CD1-CG2 4.15Å; Y41-I314 HydrophobicContact CE1-CB 4.42Å; Y41-I314 HydrophobicContact CE1-CD1 4.35Å; Y41-I314 HydrophobicContact CE1-CG2 3.82Å; Y41-I314 HydrophobicContact CG-CD1 4.15Å; Y221-I314 HydrophobicContact CE2-CB 4.47Å; Y221-I314 HydrophobicContact CE2-CG1 4Å; S226-I314 WeakPolarHBondContact O-CG2 3.21Å; Y228-I314 HydrophobicContact CD2-CD1 4.15Å; Y228-I314 HydrophobicContact CD2-CG1 3.98Å; Y228-I314 HydrophobicContact CE2-CD1 4.46Å; Y228-I314 HydrophobicContact CE2-CG1 3.85Å; V310-I314 HydrophobicContact CG1-CD1 3.63Å; V310-I314 HydrophobicContact CG1-CG1 4.25Å; V310-I314 WeakPolarHBondContact O-CG1 3.43Å; V310-I314 PolarHBondContact O-N 2.95Å; P311-I314 PolarHBondContact O-N 3.21Å; I314-K316 VanDerWaalsContact C-N 3.34Å; I314-K316 PolarHBondContact O-N 3.29Å; I314-R317 PolarHBondContact O-N 3.47Å; I314-K318 HydrophobicContact CG2-CD 4.07Å; I314-K318 HydrophobicContact CG2-CG 4.41Å; I314-K318 WeakPolarHBondContact O-CG 3.48Å; I314-K318 PolarHBondContact O-N 2.74Å
315	M	97.9	Very high	97.3	Very high	0 Å²	0	53 Å²	53	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-60.6	-41.6	-178	-72.6	-177.4	-95.3	0	0	112.7	P311 L312 K318 L319 L331 E334 I335 H338	P311-M315 HydrophobicContact CB-CE 4.31Å; P311-M315 WeakPolarHBondContact O-CE 3.49Å; P311-M315 PolarHBondContact O-N 2.91Å; L312-M315 HydrophobicContact CD2-CE 3.92Å; M315-K318 PolarHBondContact O-N 3.48Å; M315-L319 WeakPolarHBondContact O-CB 3.4Å; M315-L319 PolarHBondContact O-N 3.12Å; M315-L331 HydrophobicContact CB-CD2 4.41Å; M315-L331 HydrophobicContact CG-CD2 4.37Å; M315-E334 HydrophobicContact CE-CG 4.42Å; M315-E334 HydrophobicContact SD-CB 3.77Å; M315-E334 HydrophobicContact SD-CG 3.43Å; M315-E334 WeakPolarHBondContact SD-CG 3.2Å; M315-I335 HydrophobicContact CB-CD1 3.96Å; M315-I335 HydrophobicContact CB-CG1 3.6Å; M315-I335 HydrophobicContact CG-CG1 4.38Å; M315-I335 HydrophobicContact SD-CG1 3.84Å; M315-H338 HydrophobicContact CE-CB 4.4Å; M315-H338 WeakPolarHBondContact CE-CD2 3.39Å
316	K	97.8	Very high	97.3	Very high	105 Å²	105	56.2 Å²	56.2	46%	0.457	29%	0.287	S	S	.	.	H	α-helix	trans	-63.1	-41.2	176.6	-76.1	172.3	-177.7	176.6	0	112	L312 T313 I314 L319 M320 I335	L312-K316 WeakPolarHBondContact O-CB 3.33Å; L312-K316 WeakPolarHBondContact O-CG 3.36Å; L312-K316 PolarHBondContact O-N 3.37Å; T313-K316 PolarHBondContact O-N 2.87Å; I314-K316 VanDerWaalsContact C-N 3.34Å; I314-K316 PolarHBondContact O-N 3.29Å; K316-L319 PolarHBondContact O-N 3.47Å; K316-M320 VanDerWaalsContact O-CG 3.28Å; K316-M320 WeakPolarHBondContact O-CG 3.43Å; K316-M320 PolarHBondContact O-N 3.48Å; K316-I335 HydrophobicContact CG-CD1 4.13Å
317	R	97.7	Very high	97.1	Very high	53 Å²	53	57.8 Å²	57.8	20%	0.2	29%	0.292	C	S	.	.	H	α-helix	trans	-65.5	-45.5	176.5	-71.3	179.3	77	149.5	4.5	111.5	Y221 E223 D303 T313 I314 L319 M320 N321	Y221-R317 VanDerWaalsContact CD1-NE 3.27Å; Y221-R317 HydrophobicContact CE1-CB 4.38Å; Y221-R317 HydrophobicContact CE2-CB 4.48Å; E223-R317 IonicContact OE1-CZ 3.77Å; E223-R317 IonicContact OE1-NE 3.39Å; E223-R317 IonicContact OE1-NH2 2.68Å; E223-R317 PolarHBondContact OE1-NH2 3.04Å; D303-R317 IonicContact OD1-CZ 3.69Å; D303-R317 IonicContact OD1-NH1 2.77Å; D303-R317 PolarHBondContact OD1-NH1 2.96Å; D303-R317 IonicContact OD1-NH2 3.36Å; D303-R317 PolarHBondContact OD1-NH2 3.2Å; T313-R317 HydrophobicContact CG2-CG 4.49Å; T313-R317 WeakPolarHBondContact O-CB 3.32Å; T313-R317 VanDerWaalsContact O-CG 3.3Å; T313-R317 WeakPolarHBondContact O-CG 3.48Å; T313-R317 PolarHBondContact O-N 3.37Å; I314-R317 PolarHBondContact O-N 3.47Å; R317-L319 VanDerWaalsContact C-N 3.3Å; R317-L319 PolarHBondContact O-N 2.84Å; R317-M320 PolarHBondContact O-N 3.31Å; R317-N321 WeakPolarHBondContact O-CB 3.2Å; R317-N321 PolarHBondContact O-N 3.43Å; R317-N321 VanDerWaalsContact O-N 3.1Å; R317-N321 PolarHBondContact O-ND2 3.31Å
318	K	96.6	Very high	97.1	Very high	58 Å²	58	59.1 Å²	59.1	25%	0.252	30%	0.301	S	S	.	.	H	α-helix	trans	-55.6	-46	173.1	-69	-178.4	71.8	177	0	111.3	I314 M315 M320 N321 T322 L331	I314-K318 HydrophobicContact CG2-CD 4.07Å; I314-K318 HydrophobicContact CG2-CG 4.41Å; I314-K318 WeakPolarHBondContact O-CG 3.48Å; I314-K318 PolarHBondContact O-N 2.74Å; M315-K318 PolarHBondContact O-N 3.48Å; K318-M320 VanDerWaalsContact C-N 3.33Å; K318-M320 PolarHBondContact O-N 2.74Å; K318-N321 PolarHBondContact O-N 2.92Å; K318-N321 VanDerWaalsContact O-N 3.14Å; K318-T322 PolarHBondContact O-N 3.09Å; K318-L331 HydrophobicContact CB-CD1 3.73Å; K318-L331 HydrophobicContact CB-CD2 4.07Å; K318-L331 HydrophobicContact CD-CD2 4.29Å
319	L	96.9	Very high	97	Very high	53 Å²	53	64.5 Å²	64.5	28%	0.277	32%	0.319	S	S	.	.	H	α-helix	trans	-63.5	-37.4	179.3	-178.8	62.6	0	0	0	112.4	M315 K316 R317 N321 L331 I335	M315-L319 WeakPolarHBondContact O-CB 3.4Å; M315-L319 PolarHBondContact O-N 3.12Å; K316-L319 PolarHBondContact O-N 3.47Å; R317-L319 VanDerWaalsContact C-N 3.3Å; R317-L319 PolarHBondContact O-N 2.84Å; L319-N321 VanDerWaalsContact C-N 3.29Å; L319-N321 PolarHBondContact O-N 2.94Å; L319-L331 HydrophobicContact CB-CB 4.36Å; L319-L331 HydrophobicContact CB-CD1 4.15Å; L319-L331 HydrophobicContact CD1-CB 4.27Å; L319-I335 HydrophobicContact CD2-CD1 3.97Å
320	M	95.4	Very high	97	Very high	156 Å²	156	66.8 Å²	66.8	77%	0.768	33%	0.328	S	S	*	.	H	α-helix	trans	-70.7	-24.7	176.7	-73	174.9	63.3	0	0	113.3	K316 R317 K318	K316-M320 VanDerWaalsContact O-CG 3.28Å; K316-M320 WeakPolarHBondContact O-CG 3.43Å; K316-M320 PolarHBondContact O-N 3.48Å; R317-M320 PolarHBondContact O-N 3.31Å; K318-M320 VanDerWaalsContact C-N 3.33Å; K318-M320 PolarHBondContact O-N 2.74Å
321	N	94.3	Very high	96.9	Very high	92 Å²	92	67.1 Å²	67.1	49%	0.492	33%	0.33	S	S	.	.	H	α-helix	trans	-98.1	-22	-174.3	-70.5	-15.8	0	0	0	113.6	E223 R317 K318 L319	E223-N321 PolarHBondContact OE2-ND2 3.16Å; R317-N321 WeakPolarHBondContact O-CB 3.2Å; R317-N321 PolarHBondContact O-N 3.43Å; R317-N321 VanDerWaalsContact O-N 3.1Å; R317-N321 PolarHBondContact O-ND2 3.31Å; K318-N321 PolarHBondContact O-N 2.92Å; K318-N321 VanDerWaalsContact O-N 3.14Å; L319-N321 VanDerWaalsContact C-N 3.29Å; L319-N321 PolarHBondContact O-N 2.94Å
322	T	94.8	Very high	96.9	Very high	23 Å²	23	70.3 Å²	70.3	14%	0.141	35%	0.349	C	S	.	.			trans	-81.7	146.1	178.4	-169.5	0	0	0	0	112.2	K318 D324 E327 S328 L331	K318-T322 PolarHBondContact O-N 3.09Å; T322-D324 PolarHBondContact OG1-N 3.02Å; T322-E327 VanDerWaalsContact CB-OE2 3.26Å; T322-E327 WeakPolarHBondContact CB-OE2 3.37Å; T322-E327 HydrophobicContact CG2-CB 4.49Å; T322-E327 HydrophobicContact CG2-CG 4.35Å; T322-E327 PolarHBondContact OG1-OE2 3.01Å; T322-S328 WeakPolarHBondContact CG2-OG 3.39Å; T322-L331 HydrophobicContact CG2-CD1 4.24Å
323	N	95.4	Very high	96.9	Very high	161 Å²	161	74.4 Å²	74.4	86%	0.861	37%	0.368	S	S	*	.			trans	-112.2	2.2	166.3	-66.3	-70.9	0	0	0	111.4
324	D	97.5	Very high	96.8	Very high	88 Å²	88	74.9 Å²	74.9	47%	0.471	37%	0.368	S	S	.	.			trans	-79.4	125.2	177.6	-175.3	-91.3	0	0	0	109.9	T322 E326 E327 S328	T322-D324 PolarHBondContact OG1-N 3.02Å; D324-E326 PolarHBondContact OD1-N 3.06Å; D324-E327 HydrophobicContact CB-CB 3.92Å; D324-E327 PolarHBondContact OD1-N 2.93Å; D324-S328 VanDerWaalsContact O-CB 3.27Å; D324-S328 WeakPolarHBondContact O-CB 3.48Å; D324-S328 PolarHBondContact O-N 3.47Å; D324-S328 PolarHBondContact O-OG 2.61Å
325	L	96.3	Very high	96.8	Very high	150 Å²	150	75.7 Å²	75.7	79%	0.785	37%	0.372	S	S	*	.	H	α-helix	trans	-69.8	-33.7	-175	-73.8	174.6	0	0	0	112.6	R329	L325-R329 WeakPolarHBondContact O-CB 3.42Å; L325-R329 PolarHBondContact O-N 2.91Å
326	E	96.9	Very high	96.8	Very high	83 Å²	83	80.3 Å²	80.3	39%	0.388	39%	0.393	S	S	.	.	H	α-helix	trans	-77.3	-41.8	-179.3	-175.6	57.9	-160.2	0	0	110.5	D324 S328 R329 Q330	D324-E326 PolarHBondContact OD1-N 3.06Å; E326-S328 VanDerWaalsContact C-N 3.33Å; E326-S328 PolarHBondContact O-N 3.25Å; E326-R329 WeakPolarHBondContact O-CB 3.4Å; E326-R329 PolarHBondContact O-N 3.13Å; E326-R329 IonicContact OE1-CZ 3.82Å; E326-R329 IonicContact OE1-NE 3.64Å; E326-R329 IonicContact OE1-NH2 3.08Å; E326-R329 PolarHBondContact OE1-NH2 3.14Å; E326-R329 VanDerWaalsContact OE1-NH2 3.14Å; E326-R329 IonicContact OE2-CZ 3.16Å; E326-R329 IonicContact OE2-NE 3.84Å; E326-R329 PolarHBondContact OE2-NE 3.02Å; E326-R329 VanDerWaalsContact OE2-NE 3.08Å; E326-R329 IonicContact OE2-NH2 3.96Å; E326-Q330 WeakPolarHBondContact O-CG 3.3Å; E326-Q330 PolarHBondContact O-N 3.08Å; E326-Q330 PolarHBondContact OE1-NE2 3.04Å
327	E	95.9	Very high	96.8	Very high	68 Å²	68	81.8 Å²	81.8	32%	0.318	40%	0.396	S	S	.	.	H	α-helix	trans	-58.9	-45.5	170.9	-170.1	-176.1	-176.3	0	0	110.9	T322 D324 R329 Q330 L331	T322-E327 VanDerWaalsContact CB-OE2 3.26Å; T322-E327 WeakPolarHBondContact CB-OE2 3.37Å; T322-E327 HydrophobicContact CG2-CB 4.49Å; T322-E327 HydrophobicContact CG2-CG 4.35Å; T322-E327 PolarHBondContact OG1-OE2 3.01Å; D324-E327 HydrophobicContact CB-CB 3.92Å; D324-E327 PolarHBondContact OD1-N 2.93Å; E327-R329 VanDerWaalsContact C-N 3.27Å; E327-R329 PolarHBondContact O-N 3.18Å; E327-Q330 PolarHBondContact O-N 3.14Å; E327-L331 HydrophobicContact CG-CD1 3.91Å; E327-L331 HydrophobicContact CG-CG 4.37Å; E327-L331 WeakPolarHBondContact O-CB 3.23Å; E327-L331 WeakPolarHBondContact O-CG 3.2Å; E327-L331 PolarHBondContact O-N 3.28Å
328	S	97.3	Very high	96.8	Very high	27 Å²	27	80 Å²	80	19%	0.189	39%	0.39	C	S	.	.	H	α-helix	trans	-58	-40.9	176	-63.2	0	0	0	0	112.1	T322 D324 E326 T332	T322-S328 WeakPolarHBondContact CG2-OG 3.39Å; D324-S328 VanDerWaalsContact O-CB 3.27Å; D324-S328 WeakPolarHBondContact O-CB 3.48Å; D324-S328 PolarHBondContact O-N 3.47Å; D324-S328 PolarHBondContact O-OG 2.61Å; E326-S328 VanDerWaalsContact C-N 3.33Å; E326-S328 PolarHBondContact O-N 3.25Å; S328-T332 WeakPolarHBondContact O-CB 3.22Å; S328-T332 PolarHBondContact O-N 3.07Å; S328-T332 PolarHBondContact O-OG1 2.96Å
329	R	97.7	Very high	96.9	Very high	130 Å²	130	80.6 Å²	80.6	49%	0.491	40%	0.396	S	S	.	.	H	α-helix	trans	-66.2	-48.2	177.9	-169	174.7	83.3	97.9	-1.1	111.1	L325 E326 E327 T332 E333	L325-R329 WeakPolarHBondContact O-CB 3.42Å; L325-R329 PolarHBondContact O-N 2.91Å; E326-R329 WeakPolarHBondContact O-CB 3.4Å; E326-R329 PolarHBondContact O-N 3.13Å; E326-R329 IonicContact OE1-CZ 3.82Å; E326-R329 IonicContact OE1-NE 3.64Å; E326-R329 IonicContact OE1-NH2 3.08Å; E326-R329 PolarHBondContact OE1-NH2 3.14Å; E326-R329 VanDerWaalsContact OE1-NH2 3.14Å; E326-R329 IonicContact OE2-CZ 3.16Å; E326-R329 IonicContact OE2-NE 3.84Å; E326-R329 PolarHBondContact OE2-NE 3.02Å; E326-R329 VanDerWaalsContact OE2-NE 3.08Å; E326-R329 IonicContact OE2-NH2 3.96Å; E327-R329 VanDerWaalsContact C-N 3.27Å; E327-R329 PolarHBondContact O-N 3.18Å; R329-T332 PolarHBondContact O-N 3.35Å; R329-E333 IonicContact CZ-OE1 3.66Å; R329-E333 IonicContact NH1-OE1 3.01Å; R329-E333 PolarHBondContact NH1-OE1 2.9Å; R329-E333 WeakPolarHBondContact O-CG 3.47Å; R329-E333 PolarHBondContact O-N 2.75Å
330	Q	97.1	Very high	97	Very high	103 Å²	103	82.3 Å²	82.3	48%	0.481	41%	0.405	S	S	.	.	H	α-helix	trans	-60.7	-46.3	178.4	-71	174.8	5.8	0	0	112	E326 E327 T332 E333 E334	E326-Q330 WeakPolarHBondContact O-CG 3.3Å; E326-Q330 PolarHBondContact O-N 3.08Å; E326-Q330 PolarHBondContact OE1-NE2 3.04Å; E327-Q330 PolarHBondContact O-N 3.14Å; Q330-T332 VanDerWaalsContact C-N 3.34Å; Q330-T332 PolarHBondContact O-N 3.04Å; Q330-E333 PolarHBondContact O-N 2.92Å; Q330-E334 PolarHBondContact O-N 3.42Å
331	L	97.4	Very high	97.1	Very high	8 Å²	8	75.1 Å²	75.1	4%	0.042	37%	0.371	C	S	.	.	H	α-helix	trans	-62.4	-41	176.3	-73.4	169.1	0	0	0	111.8	M315 K318 L319 T322 E327 E334 I335	M315-L331 HydrophobicContact CB-CD2 4.41Å; M315-L331 HydrophobicContact CG-CD2 4.37Å; K318-L331 HydrophobicContact CB-CD1 3.73Å; K318-L331 HydrophobicContact CB-CD2 4.07Å; K318-L331 HydrophobicContact CD-CD2 4.29Å; L319-L331 HydrophobicContact CB-CB 4.36Å; L319-L331 HydrophobicContact CB-CD1 4.15Å; L319-L331 HydrophobicContact CD1-CB 4.27Å; T322-L331 HydrophobicContact CG2-CD1 4.24Å; E327-L331 HydrophobicContact CG-CD1 3.91Å; E327-L331 HydrophobicContact CG-CG 4.37Å; E327-L331 WeakPolarHBondContact O-CB 3.23Å; E327-L331 WeakPolarHBondContact O-CG 3.2Å; E327-L331 PolarHBondContact O-N 3.28Å; L331-E334 PolarHBondContact O-N 2.82Å; L331-I335 WeakPolarHBondContact O-CB 3.34Å; L331-I335 WeakPolarHBondContact O-CD1 3.35Å; L331-I335 WeakPolarHBondContact O-CG1 3.12Å; L331-I335 PolarHBondContact O-N 3.29Å
332	T	97.9	Very high	97.3	Very high	74 Å²	74	72.6 Å²	72.6	45%	0.454	35%	0.354	S	S	.	.	H	α-helix	trans	-64	-43.3	176.9	-58.9	0	0	0	0	111.3	S328 R329 Q330 I335 Q336	S328-T332 WeakPolarHBondContact O-CB 3.22Å; S328-T332 PolarHBondContact O-N 3.07Å; S328-T332 PolarHBondContact O-OG1 2.96Å; R329-T332 PolarHBondContact O-N 3.35Å; Q330-T332 VanDerWaalsContact C-N 3.34Å; Q330-T332 PolarHBondContact O-N 3.04Å; T332-I335 PolarHBondContact O-N 3.43Å; T332-Q336 WeakPolarHBondContact O-CB 3.45Å; T332-Q336 PolarHBondContact O-N 3.46Å
333	E	97.7	Very high	97.5	Very high	94 Å²	94	77.1 Å²	77.1	44%	0.439	37%	0.374	S	S	.	.	H	α-helix	trans	-63.7	-40.2	175.9	-72.5	175.6	-170.9	0	0	111.6	R329 Q330 Q336 R337	R329-E333 IonicContact CZ-OE1 3.66Å; R329-E333 IonicContact NH1-OE1 3.01Å; R329-E333 PolarHBondContact NH1-OE1 2.9Å; R329-E333 WeakPolarHBondContact O-CG 3.47Å; R329-E333 PolarHBondContact O-N 2.75Å; Q330-E333 PolarHBondContact O-N 2.92Å; E333-Q336 PolarHBondContact O-N 3.11Å; E333-R337 WeakPolarHBondContact O-CG 3.39Å; E333-R337 PolarHBondContact O-N 3.21Å
334	E	96.7	Very high	97.6	Very high	46 Å²	46	73.3 Å²	73.3	22%	0.215	35%	0.353	C	S	.	.	H	α-helix	trans	-67.4	-45.3	175.6	-165.6	175.3	151.4	0	0	112.7	Y41 M315 Q330 L331 Q336 R337 H338	Y41-E334 PolarHBondContact OH-OE1 2.89Å; M315-E334 HydrophobicContact CE-CG 4.42Å; M315-E334 HydrophobicContact SD-CB 3.77Å; M315-E334 HydrophobicContact SD-CG 3.43Å; M315-E334 WeakPolarHBondContact SD-CG 3.2Å; Q330-E334 PolarHBondContact O-N 3.42Å; L331-E334 PolarHBondContact O-N 2.82Å; E334-Q336 VanDerWaalsContact C-N 3.28Å; E334-Q336 PolarHBondContact O-N 3.07Å; E334-R337 WeakPolarHBondContact O-CB 3.29Å; E334-R337 PolarHBondContact O-N 2.75Å; E334-R337 VanDerWaalsContact O-N 3.15Å; E334-R337 IonicContact OE2-NH2 2.84Å; E334-H338 PolarHBondContact O-CD2 3.26Å; E334-H338 PolarHBondContact O-N 2.98Å
335	I	98.3	Very high	97.7	Very high	18 Å²	18	69.1 Å²	69.1	9%	0.092	33%	0.33	C	S	.	.	H	α-helix	trans	-55.6	-46.9	173.5	-71.9	165.5	0	0	0	110	L312 M315 K316 L319 L331 T332 R337 H338 L339	L312-I335 HydrophobicContact CD2-CG2 4.34Å; M315-I335 HydrophobicContact CB-CD1 3.96Å; M315-I335 HydrophobicContact CB-CG1 3.6Å; M315-I335 HydrophobicContact CG-CG1 4.38Å; M315-I335 HydrophobicContact SD-CG1 3.84Å; K316-I335 HydrophobicContact CG-CD1 4.13Å; L319-I335 HydrophobicContact CD2-CD1 3.97Å; L331-I335 WeakPolarHBondContact O-CB 3.34Å; L331-I335 WeakPolarHBondContact O-CD1 3.35Å; L331-I335 WeakPolarHBondContact O-CG1 3.12Å; L331-I335 PolarHBondContact O-N 3.29Å; T332-I335 PolarHBondContact O-N 3.43Å; I335-R337 PolarHBondContact O-N 3.14Å; I335-H338 PolarHBondContact O-N 2.77Å; I335-L339 HydrophobicContact CG2-CD1 3.87Å; I335-L339 HydrophobicContact CG2-CG 4.32Å; I335-L339 WeakPolarHBondContact O-CG 3.41Å; I335-L339 PolarHBondContact O-N 3.27Å
336	Q	98.2	Very high	97.7	Very high	96 Å²	96	66 Å²	66	45%	0.449	31%	0.312	S	S	.	.	H	α-helix	trans	-62.5	-42.6	179.2	-170.3	61.1	50	0	0	111.6	T332 E333 E334 H338 L339 D340	T332-Q336 WeakPolarHBondContact O-CB 3.45Å; T332-Q336 PolarHBondContact O-N 3.46Å; E333-Q336 PolarHBondContact O-N 3.11Å; E334-Q336 VanDerWaalsContact C-N 3.28Å; E334-Q336 PolarHBondContact O-N 3.07Å; Q336-H338 VanDerWaalsContact C-N 3.33Å; Q336-H338 PolarHBondContact O-N 2.93Å; Q336-L339 PolarHBondContact O-N 3.27Å; Q336-D340 PolarHBondContact NE2-OD1 2.87Å; Q336-D340 WeakPolarHBondContact O-CB 3.49Å; Q336-D340 VanDerWaalsContact O-CG 3.24Å; Q336-D340 PolarHBondContact O-N 2.86Å
337	R	97.8	Very high	97.8	Very high	137 Å²	137	68.7 Å²	68.7	52%	0.517	32%	0.322	S	S	.	.	H	α-helix	trans	-56.7	-44.5	175.1	-77	-175.4	-68.9	146.2	-4	112.3	E333 E334 I335 A341	E333-R337 WeakPolarHBondContact O-CG 3.39Å; E333-R337 PolarHBondContact O-N 3.21Å; E334-R337 WeakPolarHBondContact O-CB 3.29Å; E334-R337 PolarHBondContact O-N 2.75Å; E334-R337 VanDerWaalsContact O-N 3.15Å; E334-R337 IonicContact OE2-NH2 2.84Å; I335-R337 PolarHBondContact O-N 3.14Å; R337-A341 WeakPolarHBondContact O-CB 3.24Å; R337-A341 PolarHBondContact O-N 2.87Å
338	H	97.7	Very high	97.9	Very high	16 Å²	16	66 Å²	66	7%	0.074	31%	0.311	C	S	.	.	H	α-helix	trans	-67.6	-40.2	177.1	-82	-88.3	0	0	0	112.4	L312 M315 E334 I335 Q336 A341 R342 P396	L312-H338 HydrophobicContact CD2-CB 3.66Å; L312-H338 HydrophobicContact CG-CB 4.42Å; M315-H338 HydrophobicContact CE-CB 4.4Å; M315-H338 WeakPolarHBondContact CE-CD2 3.39Å; E334-H338 PolarHBondContact O-CD2 3.26Å; E334-H338 PolarHBondContact O-N 2.98Å; I335-H338 PolarHBondContact O-N 2.77Å; Q336-H338 VanDerWaalsContact C-N 3.33Å; Q336-H338 PolarHBondContact O-N 2.93Å; H338-A341 PolarHBondContact O-N 3.47Å; H338-R342 WeakPolarHBondContact O-CG 3.44Å; H338-R342 PolarHBondContact O-N 3.28Å; H338-P396 PolarHBondContact CE1-O 3.22Å; H338-P396 VanDerWaalsContact CE1-O 3.28Å
339	L	98.3	Very high	98	Very high	70 Å²	70	65 Å²	65	37%	0.366	30%	0.303	S	S	.	.	H	α-helix	trans	-64.6	-41.9	176.3	-69.2	175.2	0	0	0	112.1	L312 I335 Q336 A341 R342 H343	L312-L339 HydrophobicContact CD1-CD2 3.94Å; I335-L339 HydrophobicContact CG2-CD1 3.87Å; I335-L339 HydrophobicContact CG2-CG 4.32Å; I335-L339 WeakPolarHBondContact O-CG 3.41Å; I335-L339 PolarHBondContact O-N 3.27Å; Q336-L339 PolarHBondContact O-N 3.27Å; L339-A341 VanDerWaalsContact C-N 3.35Å; L339-R342 PolarHBondContact O-N 2.92Å; L339-H343 PolarHBondContact O-N 3.16Å
340	D	98.3	Very high	98	Very high	88 Å²	88	63.7 Å²	63.7	47%	0.471	30%	0.299	S	S	.	.	H	α-helix	trans	-63.5	-41.7	175.6	-70	-17.3	0	0	0	111	Q336 H343 L344	Q336-D340 PolarHBondContact NE2-OD1 2.87Å; Q336-D340 WeakPolarHBondContact O-CB 3.49Å; Q336-D340 VanDerWaalsContact O-CG 3.24Å; Q336-D340 PolarHBondContact O-N 2.86Å; D340-H343 PolarHBondContact O-N 3.42Å; D340-L344 VanDerWaalsContact O-CB 3.31Å; D340-L344 WeakPolarHBondContact O-CB 3.15Å; D340-L344 PolarHBondContact O-N 3.32Å
341	A	98	Very high	98.1	Very high	6 Å²	6	63.9 Å²	63.9	5%	0.05	30%	0.298	C	S	.	.	H	α-helix	trans	-61.9	-45.7	174.9	0	0	0	0	0	111.9	R337 H338 L339 H343 L344 I345 T397 Y398	R337-A341 WeakPolarHBondContact O-CB 3.24Å; R337-A341 PolarHBondContact O-N 2.87Å; H338-A341 PolarHBondContact O-N 3.47Å; L339-A341 VanDerWaalsContact C-N 3.35Å; A341-H343 PolarHBondContact O-N 2.91Å; A341-L344 PolarHBondContact O-N 2.97Å; A341-I345 WeakPolarHBondContact O-CB 3.47Å; A341-I345 WeakPolarHBondContact O-CD1 3.45Å; A341-I345 WeakPolarHBondContact O-CG1 3.38Å; A341-I345 PolarHBondContact O-N 3.31Å; A341-T397 HydrophobicContact CB-CG2 3.9Å; A341-T397 WeakPolarHBondContact CB-O 3.33Å; A341-Y398 HydrophobicContact CB-CD1 4.16Å; A341-Y398 HydrophobicContact CB-CE1 4.16Å
342	R	98.4	Very high	98.1	Very high	39 Å²	39	63.7 Å²	63.7	15%	0.147	30%	0.297	C	S	.	.	H	α-helix	trans	-57.8	-48.5	174.8	-70	-166.8	-179.9	-165.6	0.1	111.3	P308 D309 L312 H338 L339 L344 I345 E346 Y400	P308-R342 PolarHBondContact O-NH2 3.17Å; D309-R342 IonicContact OD1-CZ 3.07Å; D309-R342 IonicContact OD1-NH1 3.59Å; D309-R342 PolarHBondContact OD1-NH1 3.03Å; D309-R342 IonicContact OD1-NH2 3.91Å; D309-R342 PolarHBondContact OD1-NH2 3.34Å; L312-R342 VanDerWaalsContact CD1-CZ 3.4Å; H338-R342 WeakPolarHBondContact O-CG 3.44Å; H338-R342 PolarHBondContact O-N 3.28Å; L339-R342 PolarHBondContact O-N 2.92Å; R342-L344 VanDerWaalsContact C-N 3.34Å; R342-L344 PolarHBondContact O-N 2.79Å; R342-I345 PolarHBondContact O-N 3.47Å; R342-E346 WeakPolarHBondContact O-CG 3.39Å; R342-E346 PolarHBondContact O-N 3.4Å; R342-Y400 HydrophobicContact CB-CD1 3.96Å; R342-Y400 HydrophobicContact CB-CE1 4.19Å; R342-Y400 HydrophobicContact CG-CD1 3.57Å; R342-Y400 HydrophobicContact CG-CD2 4.15Å; R342-Y400 HydrophobicContact CG-CE1 4.03Å; R342-Y400 HydrophobicContact CG-CG 3.62Å
343	H	98.3	Very high	98.2	Very high	118 Å²	118	60.2 Å²	60.2	55%	0.546	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-42.7	178.7	-178.2	66.3	0	0	0	112.3	L339 D340 A341 K347	L339-H343 PolarHBondContact O-N 3.16Å; D340-H343 PolarHBondContact O-N 3.42Å; A341-H343 PolarHBondContact O-N 2.91Å; H343-K347 VanDerWaalsContact O-CB 3.24Å; H343-K347 WeakPolarHBondContact O-CB 3.36Å; H343-K347 PolarHBondContact O-N 3.11Å
344	L	98.3	Very high	98.2	Very high	80 Å²	80	57.7 Å²	57.7	42%	0.419	27%	0.268	S	S	.	.	H	α-helix	trans	-63.1	-45.5	177.7	179.6	60.7	0	0	0	111.5	D340 A341 R342 K347 S348 F391	D340-L344 VanDerWaalsContact O-CB 3.31Å; D340-L344 WeakPolarHBondContact O-CB 3.15Å; D340-L344 PolarHBondContact O-N 3.32Å; A341-L344 PolarHBondContact O-N 2.97Å; R342-L344 VanDerWaalsContact C-N 3.34Å; R342-L344 PolarHBondContact O-N 2.79Å; L344-K347 PolarHBondContact O-N 3.1Å; L344-S348 VanDerWaalsContact O-CB 3.28Å; L344-S348 WeakPolarHBondContact O-CB 3.29Å; L344-S348 PolarHBondContact O-N 2.95Å; L344-S348 PolarHBondContact O-OG 2.76Å; L344-S348 VanDerWaalsContact O-OG 3.08Å; L344-F391 HydrophobicContact CD2-CE1 3.95Å; L344-F391 HydrophobicContact CD2-CZ 4.49Å; L344-F391 HydrophobicContact CG-CE1 3.91Å; L344-F391 HydrophobicContact CG-CZ 3.99Å
345	I	98.6	Very high	98.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.5	-53.6	176.9	-69.9	160.5	0	0	0	110.4	A341 R342 K347 S348 V349 F391 Y398 A401 H404	A341-I345 WeakPolarHBondContact O-CB 3.47Å; A341-I345 WeakPolarHBondContact O-CD1 3.45Å; A341-I345 WeakPolarHBondContact O-CG1 3.38Å; A341-I345 PolarHBondContact O-N 3.31Å; R342-I345 PolarHBondContact O-N 3.47Å; I345-K347 VanDerWaalsContact C-N 3.34Å; I345-K347 PolarHBondContact O-N 3.07Å; I345-S348 PolarHBondContact O-N 3.43Å; I345-V349 HydrophobicContact CG2-CG2 4.33Å; I345-V349 WeakPolarHBondContact O-CB 3.17Å; I345-V349 VanDerWaalsContact O-CG2 3.31Å; I345-V349 WeakPolarHBondContact O-CG2 3.4Å; I345-V349 PolarHBondContact O-N 2.93Å; I345-F391 HydrophobicContact CB-CE2 4.35Å; I345-F391 HydrophobicContact CB-CZ 4.48Å; I345-F391 HydrophobicContact CG1-CB 4.49Å; I345-F391 HydrophobicContact CG1-CD1 3.8Å; I345-F391 HydrophobicContact CG1-CD2 3.92Å; I345-F391 HydrophobicContact CG1-CE1 3.9Å; I345-F391 HydrophobicContact CG1-CE2 4.03Å; I345-F391 HydrophobicContact CG1-CG 3.8Å; I345-F391 HydrophobicContact CG1-CZ 4.01Å; I345-Y398 HydrophobicContact CD1-CD1 4.25Å; I345-A401 HydrophobicContact CD1-CB 4.04Å; I345-A401 HydrophobicContact CG1-CB 4.44Å; I345-A401 HydrophobicContact CG2-CB 4.31Å; I345-H404 VanDerWaalsContact CG2-CD2 3.44Å; I345-H404 WeakPolarHBondContact CG2-CD2 3.44Å
346	E	98.3	Very high	98.1	Very high	86 Å²	86	58 Å²	58	40%	0.402	27%	0.271	S	S	.	.	H	α-helix	trans	-57.5	-46.9	-178.8	-74.4	176	-179.5	0	0	111.7	R342 R350 Y400	R342-E346 WeakPolarHBondContact O-CG 3.39Å; R342-E346 PolarHBondContact O-N 3.4Å; E346-R350 WeakPolarHBondContact O-CB 3.28Å; E346-R350 PolarHBondContact O-N 3.29Å; E346-Y400 HydrophobicContact CG-CE1 4.49Å
347	K	98.3	Very high	98	Very high	138 Å²	138	54.2 Å²	54.2	60%	0.6	26%	0.256	S	S	*	.	H	α-helix	trans	-63.2	-43.8	178.6	-176.2	-179.1	177.9	-177	0	111.9	H343 L344 I345 K351	H343-K347 VanDerWaalsContact O-CB 3.24Å; H343-K347 WeakPolarHBondContact O-CB 3.36Å; H343-K347 PolarHBondContact O-N 3.11Å; L344-K347 PolarHBondContact O-N 3.1Å; I345-K347 VanDerWaalsContact C-N 3.34Å; I345-K347 PolarHBondContact O-N 3.07Å; K347-K351 WeakPolarHBondContact O-CB 3.22Å; K347-K351 PolarHBondContact O-N 2.82Å
348	S	98.4	Very high	97.9	Very high	11 Å²	11	52.2 Å²	52.2	8%	0.077	27%	0.269	C	S	.	.	H	α-helix	trans	-66.8	-45.6	179.6	-72	0	0	0	0	111.7	L344 I345 R350 K351 I352	L344-S348 VanDerWaalsContact O-CB 3.28Å; L344-S348 WeakPolarHBondContact O-CB 3.29Å; L344-S348 PolarHBondContact O-N 2.95Å; L344-S348 PolarHBondContact O-OG 2.76Å; L344-S348 VanDerWaalsContact O-OG 3.08Å; I345-S348 PolarHBondContact O-N 3.43Å; S348-R350 PolarHBondContact O-N 3Å; S348-K351 PolarHBondContact O-N 2.99Å; S348-K351 VanDerWaalsContact O-N 3.16Å; S348-I352 VanDerWaalsContact O-CG1 3.3Å; S348-I352 WeakPolarHBondContact O-CG1 3.27Å; S348-I352 PolarHBondContact O-N 3.31Å
349	V	98.6	Very high	97.8	Very high	6 Å²	6	54.4 Å²	54.4	4%	0.036	29%	0.286	C	S	.	.	H	α-helix	trans	-59.7	-48.1	176.7	171.5	0	0	0	0	110.6	I345 K351 I352 V353 L367 F386 H404 V407	I345-V349 HydrophobicContact CG2-CG2 4.33Å; I345-V349 WeakPolarHBondContact O-CB 3.17Å; I345-V349 VanDerWaalsContact O-CG2 3.31Å; I345-V349 WeakPolarHBondContact O-CG2 3.4Å; I345-V349 PolarHBondContact O-N 2.93Å; V349-K351 VanDerWaalsContact C-N 3.3Å; V349-K351 PolarHBondContact O-N 3.46Å; V349-I352 PolarHBondContact O-N 3.41Å; V349-V353 WeakPolarHBondContact O-CG2 3.5Å; V349-V353 PolarHBondContact O-N 3.17Å; V349-V353 VanDerWaalsContact O-N 3.08Å; V349-L367 HydrophobicContact CG1-CD2 3.92Å; V349-F386 HydrophobicContact CG2-CE2 4.31Å; V349-F386 HydrophobicContact CG2-CZ 3.77Å; V349-H404 HydrophobicContact CG1-CB 4.28Å; V349-H404 HydrophobicContact CG2-CB 3.86Å; V349-V407 HydrophobicContact CG1-CB 4.15Å; V349-V407 HydrophobicContact CG1-CG1 4Å; V349-V407 HydrophobicContact CG1-CG2 4.02Å
350	R	98.6	Very high	97.8	Very high	104 Å²	104	56 Å²	56	39%	0.392	29%	0.291	S	S	.	.	H	α-helix	trans	-56.9	-45	175.2	-175.7	171.6	-156.6	-100.9	-1.5	111.5	E346 S348 V353 S354 E360 V363 E364 L367	E346-R350 WeakPolarHBondContact O-CB 3.28Å; E346-R350 PolarHBondContact O-N 3.29Å; S348-R350 PolarHBondContact O-N 3Å; R350-V353 PolarHBondContact O-N 3.15Å; R350-S354 PolarHBondContact O-N 3.44Å; R350-S354 PolarHBondContact O-OG 2.84Å; R350-E360 IonicContact CZ-OE1 3.89Å; R350-E360 IonicContact NH1-OE1 3.1Å; R350-E360 IonicContact NH2-OE1 3.98Å; R350-E360 PolarHBondContact NH2-OE1 2.91Å; R350-V363 HydrophobicContact CG-CG1 4.4Å; R350-E364 IonicContact CZ-OE1 3.77Å; R350-E364 IonicContact NE-OE1 2.65Å; R350-E364 IonicContact NH2-OE1 3.78Å; R350-E364 PolarHBondContact NH2-OE1 3.33Å; R350-L367 HydrophobicContact CB-CD1 4.07Å; R350-L367 HydrophobicContact CG-CD1 3.82Å
351	K	98.1	Very high	97.7	Very high	107 Å²	107	55.3 Å²	55.3	47%	0.465	30%	0.298	S	S	.	.	H	α-helix	trans	-65.6	-39.8	-179.6	-171.8	63.9	177.5	176.7	0	112.8	K347 S348 V349 V353 S354 L355 V428	K347-K351 WeakPolarHBondContact O-CB 3.22Å; K347-K351 PolarHBondContact O-N 2.82Å; S348-K351 PolarHBondContact O-N 2.99Å; S348-K351 VanDerWaalsContact O-N 3.16Å; V349-K351 VanDerWaalsContact C-N 3.3Å; V349-K351 PolarHBondContact O-N 3.46Å; K351-V353 VanDerWaalsContact C-N 3.34Å; K351-S354 PolarHBondContact O-N 3.08Å; K351-L355 WeakPolarHBondContact O-CG 3.46Å; K351-L355 PolarHBondContact O-N 2.9Å; K351-L355 VanDerWaalsContact O-N 3.14Å; K351-V428 HydrophobicContact CB-CG1 4.06Å; K351-V428 HydrophobicContact CB-CG2 4.1Å; K351-V428 HydrophobicContact CG-CG1 4.2Å; K351-V428 HydrophobicContact CG-CG2 3.63Å
352	I	98.4	Very high	97.7	Very high	3 Å²	3	56.6 Å²	56.6	2%	0.015	30%	0.303	C	S	.	.	H	α-helix	trans	-58.3	-48.5	174.4	-70.9	161.5	0	0	0	109.7	S348 V349 S354 L355 L356 F386 L411 M425 V428	S348-I352 VanDerWaalsContact O-CG1 3.3Å; S348-I352 WeakPolarHBondContact O-CG1 3.27Å; S348-I352 PolarHBondContact O-N 3.31Å; V349-I352 PolarHBondContact O-N 3.41Å; I352-S354 PolarHBondContact O-N 3.04Å; I352-L355 PolarHBondContact O-N 3.02Å; I352-L356 HydrophobicContact CG2-CD1 4.5Å; I352-F386 HydrophobicContact CD1-CD2 4.36Å; I352-F386 HydrophobicContact CD1-CE2 3.91Å; I352-L411 HydrophobicContact CG2-CD1 4.46Å; I352-M425 HydrophobicContact CD1-CB 4.47Å; I352-M425 HydrophobicContact CD1-CG 3.97Å; I352-M425 HydrophobicContact CG2-CG 4.39Å; I352-V428 HydrophobicContact CG1-CB 3.86Å; I352-V428 HydrophobicContact CG1-CG1 4.12Å; I352-V428 HydrophobicContact CG1-CG2 3.91Å
353	V	98.3	Very high	97.6	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.006	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-43.9	177.6	176.9	0	0	0	0	111	V349 R350 K351 L355 L356 A357 V363 L366 L367 V407 L411	V349-V353 WeakPolarHBondContact O-CG2 3.5Å; V349-V353 PolarHBondContact O-N 3.17Å; V349-V353 VanDerWaalsContact O-N 3.08Å; R350-V353 PolarHBondContact O-N 3.15Å; K351-V353 VanDerWaalsContact C-N 3.34Å; V353-L355 VanDerWaalsContact C-N 3.26Å; V353-L355 PolarHBondContact O-N 2.74Å; V353-L356 PolarHBondContact O-N 2.73Å; V353-A357 WeakPolarHBondContact O-CB 3.23Å; V353-A357 PolarHBondContact O-N 2.79Å; V353-V363 HydrophobicContact CG1-CB 4.22Å; V353-V363 HydrophobicContact CG1-CG1 4.03Å; V353-V363 HydrophobicContact CG1-CG2 4.23Å; V353-L366 HydrophobicContact CG1-CB 3.8Å; V353-L366 HydrophobicContact CG1-CD1 3.72Å; V353-L366 HydrophobicContact CG1-CG 4.42Å; V353-L367 HydrophobicContact CG2-CD2 3.92Å; V353-L367 HydrophobicContact CG2-CG 4.43Å; V353-V407 HydrophobicContact CG2-CG1 3.43Å; V353-V407 VanDerWaalsContact CG2-CG1 3.43Å; V353-L411 HydrophobicContact CG2-CD1 4.49Å; V353-L411 HydrophobicContact CG2-CD2 4.41Å
354	S	97.9	Very high	97.6	Very high	41 Å²	41	53.5 Å²	53.5	29%	0.287	29%	0.291	S	S	.	.	H	α-helix	trans	-63.1	-24.1	178.2	-57.2	0	0	0	0	114.8	R350 K351 I352 L356	R350-S354 PolarHBondContact O-N 3.44Å; R350-S354 PolarHBondContact O-OG 2.84Å; K351-S354 PolarHBondContact O-N 3.08Å; I352-S354 PolarHBondContact O-N 3.04Å; S354-L356 VanDerWaalsContact C-N 3.31Å
355	L	97.1	Very high	97.5	Very high	62 Å²	62	53 Å²	53	33%	0.325	29%	0.286	S	S	.	.	H	α-helix	trans	-77.8	-18.5	175	-69	177.1	0	0	0	112.9	K351 I352 V353 H427 V428	K351-L355 WeakPolarHBondContact O-CG 3.46Å; K351-L355 PolarHBondContact O-N 2.9Å; K351-L355 VanDerWaalsContact O-N 3.14Å; I352-L355 PolarHBondContact O-N 3.02Å; V353-L355 VanDerWaalsContact C-N 3.26Å; V353-L355 PolarHBondContact O-N 2.74Å; L355-H427 HydrophobicContact CD1-CB 4.37Å; L355-V428 HydrophobicContact CD1-CG2 3.61Å
356	L	96.6	Very high	97.5	Very high	10 Å²	10	53.5 Å²	53.5	5%	0.052	29%	0.289	C	S	.	.	H	α-helix	trans	-101.3	-43.4	-178	-67.3	168.8	0	0	0	112.2	I352 V353 S354 L411 Y416 R420 I421 S424	I352-L356 HydrophobicContact CG2-CD1 4.5Å; V353-L356 PolarHBondContact O-N 2.73Å; S354-L356 VanDerWaalsContact C-N 3.31Å; L356-L411 HydrophobicContact CD1-CD1 3.92Å; L356-L411 HydrophobicContact CD1-CD2 3.81Å; L356-L411 HydrophobicContact CD1-CG 4.44Å; L356-Y416 HydrophobicContact CB-CD1 4.21Å; L356-Y416 HydrophobicContact CB-CE1 4.09Å; L356-Y416 HydrophobicContact CB-CE2 4.4Å; L356-Y416 HydrophobicContact CB-CG 4.44Å; L356-Y416 HydrophobicContact CD2-CD1 4.46Å; L356-Y416 WeakPolarHBondContact O-CE1 3.08Å; L356-R420 HydrophobicContact CD2-CB 3.83Å; L356-I421 HydrophobicContact CD1-CG1 4.11Å; L356-S424 WeakPolarHBondContact CD2-OG 3.34Å
357	A	96.3	Very high	97.4	Very high	16 Å²	16	51 Å²	51	13%	0.132	28%	0.278	C	S	.	.			trans	-67.3	145	-176	0	0	0	0	0	112.4	V353 E362 V363 L366	V353-A357 WeakPolarHBondContact O-CB 3.23Å; V353-A357 PolarHBondContact O-N 2.79Å; A357-E362 HydrophobicContact CB-CB 4.09Å; A357-E362 HydrophobicContact CB-CG 3.91Å; A357-V363 HydrophobicContact CB-CG2 3.59Å; A357-L366 HydrophobicContact CB-CD1 4.42Å
358	A	94.6	Very high	97.3	Very high	95 Å²	95	48.1 Å²	48.1	79%	0.785	28%	0.275	S	S	*	.	S	Bend	trans	-82.4	-16.3	179	0	0	0	0	0	113.2	E362	A358-E362 WeakPolarHBondContact CB-OE2 3.43Å; A358-E362 PolarHBondContact N-OE2 2.94Å
359	S	96.9	Very high	97.1	Very high	61 Å²	61	52.3 Å²	52.3	43%	0.427	29%	0.293	S	S	.	.	S	Bend	trans	-154.9	160.8	-178.5	68.8	0	0	0	0	112.3	A361 E362 V363	S359-A361 VanDerWaalsContact C-N 3.26Å; S359-A361 PolarHBondContact O-N 3.34Å; S359-E362 WeakPolarHBondContact O-CB 3.02Å; S359-E362 PolarHBondContact O-N 2.66Å; S359-E362 VanDerWaalsContact O-N 3.11Å; S359-E362 PolarHBondContact OG-N 3Å; S359-V363 PolarHBondContact O-N 3.01Å; S359-V363 VanDerWaalsContact O-N 3.1Å
360	E	96.9	Very high	97	Very high	104 Å²	104	54.9 Å²	54.9	49%	0.486	30%	0.302	S	S	.	.	H	α-helix	trans	-61.1	-34.7	175.4	-167.7	68.3	175.5	0	0	112.4	R350 E362 V363 E364	R350-E360 IonicContact CZ-OE1 3.89Å; R350-E360 IonicContact NH1-OE1 3.1Å; R350-E360 IonicContact NH2-OE1 3.98Å; R350-E360 PolarHBondContact NH2-OE1 2.91Å; E360-E362 VanDerWaalsContact C-N 3.27Å; E360-E362 PolarHBondContact O-N 2.88Å; E360-V363 WeakPolarHBondContact O-CB 3.42Å; E360-V363 PolarHBondContact O-N 2.84Å; E360-E364 WeakPolarHBondContact O-CG 3.36Å; E360-E364 PolarHBondContact O-N 3.2Å
361	A	97.3	Very high	96.8	Very high	74 Å²	74	51.1 Å²	51.1	61%	0.612	29%	0.294	S	S	*	.	H	α-helix	trans	-62.5	-36.6	175.7	0	0	0	0	0	112.1	S359 Q365	S359-A361 VanDerWaalsContact C-N 3.26Å; S359-A361 PolarHBondContact O-N 3.34Å; A361-Q365 WeakPolarHBondContact O-CB 3.39Å; A361-Q365 PolarHBondContact O-N 3.02Å
362	E	97.1	Very high	96.5	Very high	32 Å²	32	50 Å²	50	15%	0.15	30%	0.298	C	S	.	.	H	α-helix	trans	-72.2	-34.7	175.3	-178.2	172.1	-143.7	0	0	111.8	A357 A358 S359 E360 Q365 L366 K414 Y416	A357-E362 HydrophobicContact CB-CB 4.09Å; A357-E362 HydrophobicContact CB-CG 3.91Å; A358-E362 WeakPolarHBondContact CB-OE2 3.43Å; A358-E362 PolarHBondContact N-OE2 2.94Å; S359-E362 WeakPolarHBondContact O-CB 3.02Å; S359-E362 PolarHBondContact O-N 2.66Å; S359-E362 VanDerWaalsContact O-N 3.11Å; S359-E362 PolarHBondContact OG-N 3Å; E360-E362 VanDerWaalsContact C-N 3.27Å; E360-E362 PolarHBondContact O-N 2.88Å; E362-Q365 PolarHBondContact O-N 2.75Å; E362-L366 HydrophobicContact CG-CD1 3.95Å; E362-L366 HydrophobicContact CG-CG 4.45Å; E362-L366 WeakPolarHBondContact O-CB 3.2Å; E362-L366 VanDerWaalsContact O-CG 3.32Å; E362-L366 WeakPolarHBondContact O-CG 3.34Å; E362-L366 PolarHBondContact O-N 2.89Å; E362-K414 WeakPolarHBondContact OE1-CE 3.42Å; E362-K414 IonicContact OE1-NZ 4Å; E362-Y416 PolarHBondContact OE1-OH 3.13Å
363	V	97.8	Very high	96.2	Very high	3 Å²	3	50.7 Å²	50.7	2%	0.018	30%	0.301	C	S	.	.	H	α-helix	trans	-58.4	-52.4	171.5	175.4	0	0	0	0	110.5	R350 V353 A357 S359 E360 Q365 L366 L367	R350-V363 HydrophobicContact CG-CG1 4.4Å; V353-V363 HydrophobicContact CG1-CB 4.22Å; V353-V363 HydrophobicContact CG1-CG1 4.03Å; V353-V363 HydrophobicContact CG1-CG2 4.23Å; A357-V363 HydrophobicContact CB-CG2 3.59Å; S359-V363 PolarHBondContact O-N 3.01Å; S359-V363 VanDerWaalsContact O-N 3.1Å; E360-V363 WeakPolarHBondContact O-CB 3.42Å; E360-V363 PolarHBondContact O-N 2.84Å; V363-Q365 VanDerWaalsContact C-N 3.28Å; V363-Q365 PolarHBondContact O-N 3.42Å; V363-L366 PolarHBondContact O-N 3.43Å; V363-L367 HydrophobicContact CG1-CD1 3.67Å; V363-L367 HydrophobicContact CG1-CG 4.41Å; V363-L367 WeakPolarHBondContact O-CB 3.41Å; V363-L367 VanDerWaalsContact O-CG 3.29Å; V363-L367 WeakPolarHBondContact O-CG 3.37Å; V363-L367 PolarHBondContact O-N 3.29Å
364	E	97.6	Very high	95.6	Very high	89 Å²	89	54.9 Å²	54.9	42%	0.416	33%	0.327	S	S	.	.	H	α-helix	trans	-64.6	-34.3	-179.5	-64.3	-57.5	141.1	0	0	111.8	R350 E360 L367 S368	R350-E364 IonicContact CZ-OE1 3.77Å; R350-E364 IonicContact NE-OE1 2.65Å; R350-E364 IonicContact NH2-OE1 3.78Å; R350-E364 PolarHBondContact NH2-OE1 3.33Å; E360-E364 WeakPolarHBondContact O-CG 3.36Å; E360-E364 PolarHBondContact O-N 3.2Å; E364-L367 PolarHBondContact O-N 3.13Å; E364-S368 VanDerWaalsContact O-CB 3.27Å; E364-S368 WeakPolarHBondContact O-CB 3.29Å; E364-S368 PolarHBondContact O-N 3.44Å; E364-S368 VanDerWaalsContact O-N 3.12Å; E364-S368 PolarHBondContact O-OG 2.92Å
365	Q	96.8	Very high	94.3	Very high	71 Å²	71	53.8 Å²	53.8	33%	0.332	32%	0.322	S	S	.	.	H	α-helix	trans	-61.8	-52.5	172.9	-172.7	-178.7	-1.2	0	0	111.7	A361 E362 V363 L367 S368 E369	A361-Q365 WeakPolarHBondContact O-CB 3.39Å; A361-Q365 PolarHBondContact O-N 3.02Å; E362-Q365 PolarHBondContact O-N 2.75Å; V363-Q365 VanDerWaalsContact C-N 3.28Å; V363-Q365 PolarHBondContact O-N 3.42Å; Q365-L367 PolarHBondContact O-N 3.43Å; Q365-S368 PolarHBondContact O-N 2.91Å; Q365-S368 VanDerWaalsContact O-N 3.15Å; Q365-S368 PolarHBondContact O-OG 3.25Å; Q365-E369 HydrophobicContact CG-CG 3.94Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.44Å; Q365-E369 WeakPolarHBondContact CG-OE2 3.25Å; Q365-E369 VanDerWaalsContact NE2-CD 3.29Å; Q365-E369 PolarHBondContact NE2-OE1 2.88Å; Q365-E369 VanDerWaalsContact NE2-OE1 3.1Å; Q365-E369 PolarHBondContact NE2-OE2 2.93Å; Q365-E369 WeakPolarHBondContact O-CB 3.12Å; Q365-E369 WeakPolarHBondContact O-CG 3.4Å; Q365-E369 PolarHBondContact O-N 3.33Å
366	L	97.2	Very high	93.3	Very high	9 Å²	9	54.3 Å²	54.3	5%	0.047	32%	0.322	C	S	.	.	H	α-helix	trans	-64.8	-26.6	-178.8	-71	165.6	0	0	0	113	V353 A357 E362 V363 N410 L411 K414 Y416	V353-L366 HydrophobicContact CG1-CB 3.8Å; V353-L366 HydrophobicContact CG1-CD1 3.72Å; V353-L366 HydrophobicContact CG1-CG 4.42Å; A357-L366 HydrophobicContact CB-CD1 4.42Å; E362-L366 HydrophobicContact CG-CD1 3.95Å; E362-L366 HydrophobicContact CG-CG 4.45Å; E362-L366 WeakPolarHBondContact O-CB 3.2Å; E362-L366 VanDerWaalsContact O-CG 3.32Å; E362-L366 WeakPolarHBondContact O-CG 3.34Å; E362-L366 PolarHBondContact O-N 2.89Å; V363-L366 PolarHBondContact O-N 3.43Å; L366-N410 HydrophobicContact CD2-CB 3.82Å; L366-N410 PolarHBondContact O-ND2 2.75Å; L366-L411 HydrophobicContact CD1-CD2 3.93Å; L366-L411 HydrophobicContact CD2-CD2 4.39Å; L366-K414 HydrophobicContact CD2-CB 4.1Å; L366-K414 HydrophobicContact CD2-CG 4.34Å; L366-Y416 HydrophobicContact CD1-CE2 3.91Å
367	L	97.8	Very high	92.8	Very high	35 Å²	35	58.2 Å²	58.2	18%	0.183	35%	0.351	C	S	.	.	H	α-helix	trans	-89.6	-5.9	177	-66.5	175.2	0	0	0	114.2	V349 R350 V353 V363 E364 Q365 Y406 V407	V349-L367 HydrophobicContact CG1-CD2 3.92Å; R350-L367 HydrophobicContact CB-CD1 4.07Å; R350-L367 HydrophobicContact CG-CD1 3.82Å; V353-L367 HydrophobicContact CG2-CD2 3.92Å; V353-L367 HydrophobicContact CG2-CG 4.43Å; V363-L367 HydrophobicContact CG1-CD1 3.67Å; V363-L367 HydrophobicContact CG1-CG 4.41Å; V363-L367 WeakPolarHBondContact O-CB 3.41Å; V363-L367 VanDerWaalsContact O-CG 3.29Å; V363-L367 WeakPolarHBondContact O-CG 3.37Å; V363-L367 PolarHBondContact O-N 3.29Å; E364-L367 PolarHBondContact O-N 3.13Å; Q365-L367 PolarHBondContact O-N 3.43Å; L367-Y406 PolarHBondContact O-OH 3.23Å; L367-V407 HydrophobicContact CD2-CG1 4.02Å; L367-V407 HydrophobicContact CD2-CG2 3.96Å
368	S	95.5	Very high	92.7	Very high	76 Å²	76	58.3 Å²	58.3	53%	0.531	35%	0.35	S	S	.	.	H	α-helix	trans	-119.1	-33.9	-178.4	59.9	0	0	0	0	113.2	E364 Q365 R370	E364-S368 VanDerWaalsContact O-CB 3.27Å; E364-S368 WeakPolarHBondContact O-CB 3.29Å; E364-S368 PolarHBondContact O-N 3.44Å; E364-S368 VanDerWaalsContact O-N 3.12Å; E364-S368 PolarHBondContact O-OG 2.92Å; Q365-S368 PolarHBondContact O-N 2.91Å; Q365-S368 VanDerWaalsContact O-N 3.15Å; Q365-S368 PolarHBondContact O-OG 3.25Å; S368-R370 PolarHBondContact O-NH1 3.44Å; S368-R370 VanDerWaalsContact O-NH1 3.16Å
369	E	94.8	Very high	92.8	Very high	99 Å²	99	53.9 Å²	53.9	46%	0.463	31%	0.313	S	S	.	.			trans	-73.7	165.5	-178.5	-69.5	-174	169.9	0	0	112.8	Q365 Y406 N410	Q365-E369 HydrophobicContact CG-CG 3.94Å; Q365-E369 WeakPolarHBondContact CG-OE1 3.44Å; Q365-E369 WeakPolarHBondContact CG-OE2 3.25Å; Q365-E369 VanDerWaalsContact NE2-CD 3.29Å; Q365-E369 PolarHBondContact NE2-OE1 2.88Å; Q365-E369 VanDerWaalsContact NE2-OE1 3.1Å; Q365-E369 PolarHBondContact NE2-OE2 2.93Å; Q365-E369 WeakPolarHBondContact O-CB 3.12Å; Q365-E369 WeakPolarHBondContact O-CG 3.4Å; Q365-E369 PolarHBondContact O-N 3.33Å; E369-Y406 WeakPolarHBondContact O-CD2 3.37Å; E369-Y406 WeakPolarHBondContact O-CE2 3.4Å; E369-N410 PolarHBondContact O-ND2 3.21Å
370	R	94.9	Very high	92.7	Very high	60 Å²	60	52.6 Å²	52.6	23%	0.226	30%	0.303	C	S	.	.			trans	-131	87.7	174.2	-65.9	-66.3	-174.6	-72.8	1.3	108.1	R213 S368 Y406	R213-R370 HydrophobicContact CB-CG 4.28Å; R213-R370 HydrophobicContact CG-CB 3.93Å; R213-R370 HydrophobicContact CG-CG 3.86Å; R213-R370 PolarHBondContact NH2-O 3.39Å; R213-R370 VanDerWaalsContact NH2-O 3.14Å; S368-R370 PolarHBondContact O-NH1 3.44Å; S368-R370 VanDerWaalsContact O-NH1 3.16Å; R370-Y406 VanDerWaalsContact CD-CD2 3.49Å; R370-Y406 VanDerWaalsContact CZ-CE1 3.44Å; R370-Y406 VanDerWaalsContact CZ-CE2 3.42Å; R370-Y406 PolarHBondContact NH1-OH 3.43Å; R370-Y406 VanDerWaalsContact NH2-CE1 3.28Å
371	A	94.3	Very high	92.6	Very high	25 Å²	25	52.1 Å²	52.1	21%	0.207	30%	0.301	C	S	.	.			trans	-66.2	144.1	178.4	0	0	0	0	0	110.7	L373 N410 E413	A371-L373 PolarHBondContact O-N 3.09Å; A371-N410 WeakPolarHBondContact CB-OD1 3.39Å; A371-N410 PolarHBondContact N-OD1 2.78Å; A371-E413 HydrophobicContact CB-CB 3.91Å; A371-E413 HydrophobicContact CB-CG 3.82Å
372	P	92.2	Very high	92.6	Very high	85 Å²	85	48.6 Å²	48.6	55%	0.552	27%	0.272	S	S	*	.			trans	-67.1	131.4	171	29.4	-32.7	0	0	0	109.4	T374 E413	P372-T374 PolarHBondContact O-N 2.74Å; P372-E413 VanDerWaalsContact O-CD 3.23Å; P372-E413 WeakPolarHBondContact O-CG 3.41Å
373	L	91.9	Very high	92.6	Very high	17 Å²	17	47.1 Å²	47.1	9%	0.089	27%	0.265	C	S	.	.			trans	-71.5	110.1	177.7	177	61.6	0	0	0	110.4	V163 A371 Y379 V409	V163-L373 HydrophobicContact CG1-CD2 3.83Å; A371-L373 PolarHBondContact O-N 3.09Å; L373-Y379 HydrophobicContact CD1-CD1 3.73Å; L373-Y379 HydrophobicContact CD1-CG 3.94Å; L373-Y379 HydrophobicContact CD2-CD1 3.88Å; L373-Y379 HydrophobicContact CD2-CE1 4.15Å; L373-Y379 HydrophobicContact CG-CD1 4.5Å; L373-V409 HydrophobicContact CB-CG1 4.06Å; L373-V409 HydrophobicContact CD1-CG1 3.96Å; L373-V409 HydrophobicContact CD1-CG2 4.26Å
374	T	86.1	Confident	92.5	Very high	88 Å²	88	51.1 Å²	51.1	54%	0.54	29%	0.286	S	S	.	.			trans	-123.3	-25.8	173.6	77.2	0	0	0	0	112.7	P372 H376 E413	P372-T374 PolarHBondContact O-N 2.74Å; T374-H376 VanDerWaalsContact C-N 3.27Å; T374-H376 PolarHBondContact O-CD2 3.32Å; T374-H376 VanDerWaalsContact O-CD2 3.24Å; T374-H376 PolarHBondContact O-N 3.02Å; T374-E413 PolarHBondContact N-OE1 3.47Å; T374-E413 PolarHBondContact OG1-OE2 2.95Å
375	G	71.6	Confident	92.6	Very high	18 Å²	18	48 Å²	48	19%	0.186	27%	0.272	C	S	.	.			trans	-77.3	60.5	179.5	0	0	0	0	0	114.1	S377 C378 Y379 E413	G375-S377 PolarHBondContact O-N 2.95Å; G375-C378 PolarHBondContact O-N 3.48Å; G375-C378 VanDerWaalsContact O-N 3.11Å; G375-Y379 PolarHBondContact O-N 2.9Å; G375-E413 PolarHBondContact N-OE1 2.95Å
376	H	74.4	Confident	92.7	Very high	73 Å²	73	44.8 Å²	44.8	34%	0.338	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-8.6	-174.5	-63.9	-67.8	0	0	0	115.9	K164 T374 P380	K164-H376 HydrophobicContact CD-CB 4.05Å; K164-H376 HydrophobicContact CG-CB 4.29Å; T374-H376 VanDerWaalsContact C-N 3.27Å; T374-H376 PolarHBondContact O-CD2 3.32Å; T374-H376 VanDerWaalsContact O-CD2 3.24Å; T374-H376 PolarHBondContact O-N 3.02Å; H376-P380 WeakPolarHBondContact O-CD 3.31Å; H376-P380 WeakPolarHBondContact O-CG 3.35Å
377	S	86.4	Confident	92.7	Very high	92 Å²	92	46.6 Å²	46.6	64%	0.643	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	-35.6	171	54.3	0	0	0	0	113.2	G375	G375-S377 PolarHBondContact O-N 2.95Å
378	C	95.1	Very high	92.7	Very high	18 Å²	18	49 Å²	49	12%	0.122	28%	0.278	C	S	.	.	H	α-helix	trans	-74.5	-48.3	-178.5	175.8	0	0	0	0	111.9	G375 E381 A382 C412	G375-C378 PolarHBondContact O-N 3.48Å; G375-C378 VanDerWaalsContact O-N 3.11Å; C378-E381 PolarHBondContact O-N 3.33Å; C378-A382 WeakPolarHBondContact O-CB 3.39Å; C378-A382 PolarHBondContact O-N 3.47Å; C378-C412 HydrophobicContact CB-CB 3.67Å; C378-C412 WeakPolarHBondContact CB-SG 3.35Å; C378-C412 VanDerWaalsContact SG-CA 3.55Å; C378-C412 WeakPolarHBondContact SG-CB 3.29Å; C378-C412 CovalentContact SG-SG 2.05Å; C378-C412 PolarHBondContact SG-SG 3.3Å
379	Y	95.8	Very high	92.8	Very high	2 Å²	2	48.5 Å²	48.5	1%	0.008	27%	0.268	C	S	.	.	H	α-helix	trans	-64.9	-46.2	-169.6	176.2	-123.1	0	0	0	114	T151 I153 L373 G375 E381 A382 L383 L408 V409 C412	T151-Y379 WeakPolarHBondContact O-CE1 3.38Å; T151-Y379 VanDerWaalsContact O-CZ 3.31Å; T151-Y379 PolarHBondContact O-OH 3Å; I153-Y379 HydrophobicContact CG2-CE1 4.22Å; L373-Y379 HydrophobicContact CD1-CD1 3.73Å; L373-Y379 HydrophobicContact CD1-CG 3.94Å; L373-Y379 HydrophobicContact CD2-CD1 3.88Å; L373-Y379 HydrophobicContact CD2-CE1 4.15Å; L373-Y379 HydrophobicContact CG-CD1 4.5Å; G375-Y379 PolarHBondContact O-N 2.9Å; Y379-E381 VanDerWaalsContact C-N 3.3Å; Y379-E381 PolarHBondContact O-N 3.38Å; Y379-A382 PolarHBondContact O-N 3.16Å; Y379-L383 HydrophobicContact CE1-CD1 4.11Å; Y379-L383 HydrophobicContact CE2-CB 4.36Å; Y379-L383 HydrophobicContact CE2-CD1 4.05Å; Y379-L383 VanDerWaalsContact O-CB 3.25Å; Y379-L383 WeakPolarHBondContact O-CB 3.24Å; Y379-L383 PolarHBondContact O-N 3.16Å; Y379-L408 HydrophobicContact CD2-CB 4.07Å; Y379-L408 HydrophobicContact CE2-CB 3.96Å; Y379-V409 HydrophobicContact CD1-CG2 4.13Å; Y379-V409 HydrophobicContact CD2-CG2 3.59Å; Y379-V409 HydrophobicContact CE1-CG2 3.91Å; Y379-V409 HydrophobicContact CE2-CG2 3.36Å; Y379-V409 HydrophobicContact CG-CG2 3.96Å; Y379-C412 PolarHBondContact N-SG 3.47Å; Y379-C412 VanDerWaalsContact N-SG 3.45Å
380	P	94.7	Very high	92.9	Very high	34 Å²	34	45 Å²	45	22%	0.221	25%	0.254	C	S	.	.	H	α-helix	trans	-58.9	-40.9	178	-25.9	36.3	0	0	0	113.2	H376 L383 L384	H376-P380 WeakPolarHBondContact O-CD 3.31Å; H376-P380 WeakPolarHBondContact O-CG 3.35Å; P380-L383 PolarHBondContact O-N 2.74Å; P380-L384 WeakPolarHBondContact O-CB 3.3Å; P380-L384 PolarHBondContact O-N 2.87Å
381	E	96.1	Very high	93.1	Very high	94 Å²	94	42.6 Å²	42.6	44%	0.439	25%	0.245	S	C	.	.	H	α-helix	trans	-69.7	-38.3	177.6	-74	-164.4	-126.4	0	0	113.1	C378 Y379 H385 L418 K422	C378-E381 PolarHBondContact O-N 3.33Å; Y379-E381 VanDerWaalsContact C-N 3.3Å; Y379-E381 PolarHBondContact O-N 3.38Å; E381-H385 WeakPolarHBondContact O-CB 3.27Å; E381-H385 PolarHBondContact O-N 3.23Å; E381-H385 VanDerWaalsContact O-N 3.09Å; E381-L418 HydrophobicContact CB-CD1 4.2Å; E381-L418 HydrophobicContact CB-CD2 3.59Å; E381-L418 HydrophobicContact CB-CG 4.49Å; E381-L418 VanDerWaalsContact CD-CD2 3.47Å; E381-L418 HydrophobicContact CG-CD2 4.12Å; E381-L418 VanDerWaalsContact OE2-CD2 3.27Å; E381-L418 WeakPolarHBondContact OE2-CD2 3.49Å; E381-K422 IonicContact OE2-NZ 3.76Å; E381-K422 PolarHBondContact OE2-NZ 3.28Å
382	A	97.1	Very high	93.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-65.7	-41.3	175.6	0	0	0	0	0	111.1	C378 Y379 H385 F386 L418 I421 M425	C378-A382 WeakPolarHBondContact O-CB 3.39Å; C378-A382 PolarHBondContact O-N 3.47Å; Y379-A382 PolarHBondContact O-N 3.16Å; A382-H385 PolarHBondContact O-N 2.97Å; A382-F386 WeakPolarHBondContact O-CB 3.17Å; A382-F386 PolarHBondContact O-N 3.14Å; A382-L418 HydrophobicContact CB-CD1 3.91Å; A382-I421 HydrophobicContact CB-CG2 4.3Å; A382-M425 HydrophobicContact CB-CE 4.49Å
383	L	96.4	Very high	93.6	Very high	2 Å²	2	41 Å²	41	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-48.4	178	-178.2	152.8	0	0	0	111.5	I153 Y379 P380 H385 F386 R387 W393 L405	I153-L383 HydrophobicContact CD1-CD1 3.91Å; I153-L383 HydrophobicContact CG2-CD1 3.78Å; Y379-L383 HydrophobicContact CE1-CD1 4.11Å; Y379-L383 HydrophobicContact CE2-CB 4.36Å; Y379-L383 HydrophobicContact CE2-CD1 4.05Å; Y379-L383 VanDerWaalsContact O-CB 3.25Å; Y379-L383 WeakPolarHBondContact O-CB 3.24Å; Y379-L383 PolarHBondContact O-N 3.16Å; P380-L383 PolarHBondContact O-N 2.74Å; L383-H385 VanDerWaalsContact C-N 3.3Å; L383-H385 PolarHBondContact O-N 2.88Å; L383-F386 PolarHBondContact O-N 3.49Å; L383-R387 PolarHBondContact O-N 2.95Å; L383-W393 HydrophobicContact CD2-CH2 3.56Å; L383-W393 HydrophobicContact CD2-CZ2 3.57Å; L383-W393 HydrophobicContact CG-CH2 3.65Å; L383-W393 HydrophobicContact CG-CZ2 4Å; L383-L405 HydrophobicContact CD1-CD1 4.04Å; L383-L405 HydrophobicContact CG-CD1 4.5Å
384	L	97	Very high	93.8	Very high	87 Å²	87	41.6 Å²	41.6	46%	0.455	23%	0.23	S	C	.	.	H	α-helix	trans	-59.5	-42	176	178	62.1	0	0	0	111.8	P380 R387 T388	P380-L384 WeakPolarHBondContact O-CB 3.3Å; P380-L384 PolarHBondContact O-N 2.87Å; L384-R387 PolarHBondContact O-N 3.22Å; L384-T388 HydrophobicContact CD1-CG2 4.16Å; L384-T388 WeakPolarHBondContact O-CG2 3.34Å; L384-T388 PolarHBondContact O-N 2.04Å; L384-T388 VanDerWaalsContact O-N 3.13Å; L384-T388 PolarHBondContact O-OG1 3.47Å
385	H	98.2	Very high	94.3	Very high	24 Å²	24	39.4 Å²	39.4	11%	0.111	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-45.3	177.4	-160.7	90.4	0	0	0	111.4	E381 A382 L383 R387 T388 H389 K422 M425 D426	E381-H385 WeakPolarHBondContact O-CB 3.27Å; E381-H385 PolarHBondContact O-N 3.23Å; E381-H385 VanDerWaalsContact O-N 3.09Å; A382-H385 PolarHBondContact O-N 2.97Å; L383-H385 VanDerWaalsContact C-N 3.3Å; L383-H385 PolarHBondContact O-N 2.88Å; H385-R387 VanDerWaalsContact C-N 3.34Å; H385-R387 PolarHBondContact O-N 3.48Å; H385-T388 PolarHBondContact O-N 2.81Å; H385-T388 PolarHBondContact O-OG1 2.96Å; H385-H389 AromaticContact CD2-CG 3.98Å; H385-H389 AromaticContact CE1-CD2 3.71Å; H385-H389 AromaticContact CE1-CE1 3.65Å; H385-H389 AromaticContact CE1-CG 3.82Å; H385-H389 AromaticContact CE1-ND1 3.75Å; H385-H389 AromaticContact CE1-NE2 3.64Å; H385-H389 AromaticContact ND1-CE1 3.9Å; H385-H389 AromaticContact ND1-ND1 3.93Å; H385-H389 AromaticContact NE2-CD2 3.68Å; H385-H389 AromaticContact NE2-CG 3.57Å; H385-H389 AromaticContact NE2-ND1 3.87Å; H385-H389 WeakPolarHBondContact O-CB 3.02Å; H385-H389 PolarHBondContact O-N 3.37Å; H385-H389 PolarHBondContact O-ND1 3.23Å; H385-K422 HydrophobicContact CB-CD 4.26Å; H385-K422 HydrophobicContact CB-CG 3.95Å; H385-M425 HydrophobicContact CB-SD 4.2Å; H385-D426 IonicContact CD2-OD1 3.06Å; H385-D426 IonicContact CE1-OD1 2.88Å; H385-D426 IonicContact CE1-OD2 3.85Å; H385-D426 IonicContact NE2-OD1 3.55Å; H385-D426 PolarHBondContact NE2-OD1 3.12Å; H385-D426 IonicContact NE2-OD2 2.76Å
386	F	98.4	Very high	95.4	Very high	2 Å²	2	42.2 Å²	42.2	1%	0.009	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-41.9	176.5	-169.2	-114.7	0	0	0	112.3	V349 I352 A382 L383 T388 C390 F391 W393 A401 L405 L408 M425	V349-F386 HydrophobicContact CG2-CE2 4.31Å; V349-F386 HydrophobicContact CG2-CZ 3.77Å; I352-F386 HydrophobicContact CD1-CD2 4.36Å; I352-F386 HydrophobicContact CD1-CE2 3.91Å; A382-F386 WeakPolarHBondContact O-CB 3.17Å; A382-F386 PolarHBondContact O-N 3.14Å; L383-F386 PolarHBondContact O-N 3.49Å; F386-T388 VanDerWaalsContact C-N 3.34Å; F386-T388 PolarHBondContact O-N 3.18Å; F386-C390 HydrophobicContact CD2-CB 3.6Å; F386-C390 VanDerWaalsContact CD2-SG 3.59Å; F386-C390 HydrophobicContact CE2-CB 3.63Å; F386-C390 HydrophobicContact CG-CB 4.27Å; F386-C390 HydrophobicContact CZ-CB 4.32Å; F386-C390 CarbonylContact O-C 3.59Å; F386-C390 WeakPolarHBondContact O-CA 3.48Å; F386-C390 VanDerWaalsContact O-CB 3.23Å; F386-C390 WeakPolarHBondContact O-CB 3.37Å; F386-C390 PolarHBondContact O-N 3.36Å; F386-F391 HydrophobicContact CE1-CD2 4.15Å; F386-F391 HydrophobicContact CE2-CD2 4.03Å; F386-F391 HydrophobicContact CE2-CE2 4.36Å; F386-F391 AromaticContact CZ-CD2 3.55Å; F386-F391 HydrophobicContact CZ-CD2 3.55Å; F386-F391 HydrophobicContact CZ-CE2 4.11Å; F386-F391 PolarHBondContact O-N 2.96Å; F386-W393 AromaticContact CD1-CZ3 4Å; F386-W393 HydrophobicContact CD1-CZ3 4Å; F386-A401 HydrophobicContact CE1-CB 4.35Å; F386-L405 HydrophobicContact CD1-CD2 3.73Å; F386-L405 HydrophobicContact CE1-CD2 4Å; F386-L408 HydrophobicContact CB-CD1 3.77Å; F386-L408 HydrophobicContact CD1-CD1 4.13Å; F386-L408 HydrophobicContact CG-CD1 3.97Å; F386-M425 HydrophobicContact CB-CE 3.83Å; F386-M425 HydrophobicContact CB-SD 4.04Å; F386-M425 HydrophobicContact CD2-CE 4.03Å; F386-M425 HydrophobicContact CD2-CG 4.3Å; F386-M425 HydrophobicContact CD2-SD 4.31Å; F386-M425 HydrophobicContact CG-CE 4.28Å
387	R	97.9	Very high	96.4	Very high	48 Å²	48	40.8 Å²	40.8	18%	0.181	23%	0.23	C	C	.	.	H	α-helix	trans	-60.6	-42.6	177.2	-163.2	178.4	69.5	179.4	7.7	112.8	D160 L383 L384 H385 F391 N392 W393	D160-R387 IonicContact OD2-CZ 3.89Å; D160-R387 IonicContact OD2-NH1 3.64Å; D160-R387 PolarHBondContact OD2-NH1 3.39Å; L383-R387 PolarHBondContact O-N 2.95Å; L384-R387 PolarHBondContact O-N 3.22Å; H385-R387 VanDerWaalsContact C-N 3.34Å; H385-R387 PolarHBondContact O-N 3.48Å; R387-F391 WeakPolarHBondContact CA-O 3.47Å; R387-F391 CarbonylContact O-C 3.57Å; R387-N392 HydrophobicContact CG-CB 4.29Å; R387-N392 WeakPolarHBondContact CG-OD1 3.37Å; R387-N392 PolarHBondContact O-N 3.36Å; R387-W393 HydrophobicContact CB-CE3 4.45Å; R387-W393 HydrophobicContact CB-CH2 3.52Å; R387-W393 HydrophobicContact CB-CZ2 4.16Å; R387-W393 HydrophobicContact CB-CZ3 3.67Å; R387-W393 HydrophobicContact CG-CD2 4.42Å; R387-W393 HydrophobicContact CG-CE3 4.24Å; R387-W393 HydrophobicContact CG-CH2 3.81Å; R387-W393 HydrophobicContact CG-CZ2 4Å; R387-W393 HydrophobicContact CG-CZ3 3.92Å
388	T	97.4	Very high	97	Very high	84 Å²	84	40.2 Å²	40.2	52%	0.515	22%	0.215	S	C	.	.	H	α-helix	trans	-88.8	-26.6	-171.5	50.7	0	0	0	0	114	L384 H385 F386	L384-T388 HydrophobicContact CD1-CG2 4.16Å; L384-T388 WeakPolarHBondContact O-CG2 3.34Å; L384-T388 PolarHBondContact O-N 2.04Å; L384-T388 VanDerWaalsContact O-N 3.13Å; L384-T388 PolarHBondContact O-OG1 3.47Å; H385-T388 PolarHBondContact O-N 2.81Å; H385-T388 PolarHBondContact O-OG1 2.96Å; F386-T388 VanDerWaalsContact C-N 3.34Å; F386-T388 PolarHBondContact O-N 3.18Å
389	H	97.6	Very high	97.1	Very high	67 Å²	67	40.4 Å²	40.4	31%	0.31	21%	0.213	S	C	.	.	H	α-helix	trans	-112.8	-13.9	-175.5	-62.3	63.5	0	0	0	113.4	H385 D426 C429 L430	H385-H389 AromaticContact CD2-CG 3.98Å; H385-H389 AromaticContact CE1-CD2 3.71Å; H385-H389 AromaticContact CE1-CE1 3.65Å; H385-H389 AromaticContact CE1-CG 3.82Å; H385-H389 AromaticContact CE1-ND1 3.75Å; H385-H389 AromaticContact CE1-NE2 3.64Å; H385-H389 AromaticContact ND1-CE1 3.9Å; H385-H389 AromaticContact ND1-ND1 3.93Å; H385-H389 AromaticContact NE2-CD2 3.68Å; H385-H389 AromaticContact NE2-CG 3.57Å; H385-H389 AromaticContact NE2-ND1 3.87Å; H385-H389 WeakPolarHBondContact O-CB 3.02Å; H385-H389 PolarHBondContact O-N 3.37Å; H385-H389 PolarHBondContact O-ND1 3.23Å; H389-D426 IonicContact CD2-OD1 2.73Å; H389-D426 PolarHBondContact CD2-OD1 3.18Å; H389-D426 IonicContact CG-OD1 3.74Å; H389-C429 WeakPolarHBondContact O-CB 3.4Å; H389-L430 HydrophobicContact CB-CD1 4.28Å; H389-L430 WeakPolarHBondContact O-CD2 3.5Å
390	C	98.1	Very high	97.2	Very high	26 Å²	26	42.8 Å²	42.8	18%	0.176	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.9	-81.2	177.1	-61.4	0	0	0	0	112.1	F386 C429	F386-C390 HydrophobicContact CD2-CB 3.6Å; F386-C390 VanDerWaalsContact CD2-SG 3.59Å; F386-C390 HydrophobicContact CE2-CB 3.63Å; F386-C390 HydrophobicContact CG-CB 4.27Å; F386-C390 HydrophobicContact CZ-CB 4.32Å; F386-C390 CarbonylContact O-C 3.59Å; F386-C390 WeakPolarHBondContact O-CA 3.48Å; F386-C390 VanDerWaalsContact O-CB 3.23Å; F386-C390 WeakPolarHBondContact O-CB 3.37Å; F386-C390 PolarHBondContact O-N 3.36Å; C390-C429 HydrophobicContact CB-CB 3.77Å; C390-C429 WeakPolarHBondContact CB-SG 3.43Å; C390-C429 WeakPolarHBondContact SG-CB 3.46Å; C390-C429 CovalentContact SG-SG 2.04Å; C390-C429 PolarHBondContact SG-SG 3.11Å
391	F	98.2	Very high	97.4	Very high	9 Å²	9	41.2 Å²	41.2	4%	0.039	21%	0.212	C	C	.	.			trans	-136.5	115.8	-169.1	-53.4	-71.8	0	0	0	110.3	L344 I345 F386 R387 W393 Y398 A401	L344-F391 HydrophobicContact CD2-CE1 3.95Å; L344-F391 HydrophobicContact CD2-CZ 4.49Å; L344-F391 HydrophobicContact CG-CE1 3.91Å; L344-F391 HydrophobicContact CG-CZ 3.99Å; I345-F391 HydrophobicContact CB-CE2 4.35Å; I345-F391 HydrophobicContact CB-CZ 4.48Å; I345-F391 HydrophobicContact CG1-CB 4.49Å; I345-F391 HydrophobicContact CG1-CD1 3.8Å; I345-F391 HydrophobicContact CG1-CD2 3.92Å; I345-F391 HydrophobicContact CG1-CE1 3.9Å; I345-F391 HydrophobicContact CG1-CE2 4.03Å; I345-F391 HydrophobicContact CG1-CG 3.8Å; I345-F391 HydrophobicContact CG1-CZ 4.01Å; F386-F391 HydrophobicContact CE1-CD2 4.15Å; F386-F391 HydrophobicContact CE2-CD2 4.03Å; F386-F391 HydrophobicContact CE2-CE2 4.36Å; F386-F391 AromaticContact CZ-CD2 3.55Å; F386-F391 HydrophobicContact CZ-CD2 3.55Å; F386-F391 HydrophobicContact CZ-CE2 4.11Å; F386-F391 PolarHBondContact O-N 2.96Å; R387-F391 WeakPolarHBondContact CA-O 3.47Å; R387-F391 CarbonylContact O-C 3.57Å; F391-W393 PolarHBondContact O-N 3.4Å; F391-Y398 HydrophobicContact CB-CD1 4.5Å; F391-Y398 HydrophobicContact CB-CG 4.47Å; F391-Y398 AromaticContact CD1-CD1 3.7Å; F391-Y398 HydrophobicContact CD1-CD1 3.7Å; F391-Y398 AromaticContact CD1-CE1 3.84Å; F391-Y398 HydrophobicContact CD1-CE1 3.84Å; F391-Y398 HydrophobicContact CD1-CG 4.38Å; F391-Y398 HydrophobicContact CE1-CD1 4.46Å; F391-Y398 HydrophobicContact CE1-CE1 4.29Å; F391-Y398 HydrophobicContact CG-CD1 4.49Å; F391-A401 HydrophobicContact CB-CB 3.85Å
392	N	98.3	Very high	97.5	Very high	71 Å²	71	37 Å²	37	38%	0.38	19%	0.193	S	C	.	.			trans	-87.9	102.4	174.9	-173.9	4.2	0	0	0	110	R387 H394 S395 Y398	R387-N392 HydrophobicContact CG-CB 4.29Å; R387-N392 WeakPolarHBondContact CG-OD1 3.37Å; R387-N392 PolarHBondContact O-N 3.36Å; N392-H394 PolarHBondContact O-N 3.4Å; N392-H394 WeakPolarHBondContact OD1-CB 3.32Å; N392-H394 PolarHBondContact OD1-CD2 3.01Å; N392-H394 VanDerWaalsContact OD1-CD2 3.23Å; N392-H394 PolarHBondContact OD1-N 3.4Å; N392-S395 VanDerWaalsContact O-CB 3.32Å; N392-S395 WeakPolarHBondContact O-CB 3.5Å; N392-S395 PolarHBondContact O-N 3.02Å; N392-Y398 WeakPolarHBondContact O-CB 3.36Å
393	W	98.4	Very high	97.6	Very high	6 Å²	6	38.8 Å²	38.8	2%	0.023	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69	-12.6	-179.3	51.9	83	0	0	0	114.7	D160 L383 F386 R387 F391 S395 A401 L402 L405	D160-W393 PolarHBondContact OD1-NE1 2.94Å; D160-W393 WeakPolarHBondContact OD2-CZ2 3.46Å; L383-W393 HydrophobicContact CD2-CH2 3.56Å; L383-W393 HydrophobicContact CD2-CZ2 3.57Å; L383-W393 HydrophobicContact CG-CH2 3.65Å; L383-W393 HydrophobicContact CG-CZ2 4Å; F386-W393 AromaticContact CD1-CZ3 4Å; F386-W393 HydrophobicContact CD1-CZ3 4Å; R387-W393 HydrophobicContact CB-CE3 4.45Å; R387-W393 HydrophobicContact CB-CH2 3.52Å; R387-W393 HydrophobicContact CB-CZ2 4.16Å; R387-W393 HydrophobicContact CB-CZ3 3.67Å; R387-W393 HydrophobicContact CG-CD2 4.42Å; R387-W393 HydrophobicContact CG-CE3 4.24Å; R387-W393 HydrophobicContact CG-CH2 3.81Å; R387-W393 HydrophobicContact CG-CZ2 4Å; R387-W393 HydrophobicContact CG-CZ3 3.92Å; F391-W393 PolarHBondContact O-N 3.4Å; W393-S395 PolarHBondContact O-N 3.11Å; W393-A401 HydrophobicContact CB-CB 4.4Å; W393-A401 HydrophobicContact CE3-CB 4.35Å; W393-L402 HydrophobicContact CB-CD1 4.39Å; W393-L402 HydrophobicContact CB-CD2 4.27Å; W393-L402 HydrophobicContact CB-CG 3.8Å; W393-L402 VanDerWaalsContact CD1-CD2 3.49Å; W393-L402 HydrophobicContact CD2-CD2 4.07Å; W393-L402 HydrophobicContact CD2-CG 4.49Å; W393-L402 HydrophobicContact CG-CD1 4.5Å; W393-L402 HydrophobicContact CG-CD2 3.68Å; W393-L402 HydrophobicContact CG-CG 3.77Å; W393-L405 HydrophobicContact CD2-CD1 4.45Å; W393-L405 HydrophobicContact CE3-CD1 4.42Å; W393-L405 HydrophobicContact CE3-CD2 4.22Å; W393-L405 HydrophobicContact CH2-CD1 4.05Å; W393-L405 HydrophobicContact CH2-CD2 4.09Å; W393-L405 HydrophobicContact CZ2-CD1 4.07Å; W393-L405 HydrophobicContact CZ3-CD1 4.24Å; W393-L405 HydrophobicContact CZ3-CD2 3.74Å
394	H	97	Very high	97.6	Very high	28 Å²	28	39.9 Å²	39.9	13%	0.13	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-14.2	167.9	-58.3	-53.9	0	0	0	111.9	F156 N158 E159 D160 N392	F156-H394 PolarHBondContact O-CE1 2.99Å; F156-H394 PolarHBondContact O-ND1 3.21Å; N158-H394 PolarHBondContact O-CD2 2.87Å; E159-H394 PolarHBondContact N-CE1 3.33Å; E159-H394 PolarHBondContact N-NE2 3.39Å; E159-H394 PolarHBondContact O-CE1 3.45Å; D160-H394 IonicContact OD1-CE1 2.83Å; D160-H394 PolarHBondContact OD1-CE1 3.18Å; D160-H394 IonicContact OD1-NE2 2.74Å; D160-H394 IonicContact OD2-CE1 3.81Å; D160-H394 IonicContact OD2-NE2 3.14Å; D160-H394 PolarHBondContact OD2-NE2 2.94Å; N392-H394 PolarHBondContact O-N 3.4Å; N392-H394 WeakPolarHBondContact OD1-CB 3.32Å; N392-H394 PolarHBondContact OD1-CD2 3.01Å; N392-H394 VanDerWaalsContact OD1-CD2 3.23Å; N392-H394 PolarHBondContact OD1-N 3.4Å
395	S	96.6	Very high	97.7	Very high	43 Å²	43	35.8 Å²	35.8	30%	0.301	18%	0.183	S	C	.	.	S	Bend	trans	-84.5	129.9	165.8	-175.4	0	0	0	0	110.7	N392 W393 T397 Y398 E399	N392-S395 VanDerWaalsContact O-CB 3.32Å; N392-S395 WeakPolarHBondContact O-CB 3.5Å; N392-S395 PolarHBondContact O-N 3.02Å; W393-S395 PolarHBondContact O-N 3.11Å; S395-T397 PolarHBondContact O-N 3.24Å; S395-T397 VanDerWaalsContact O-N 3.07Å; S395-Y398 PolarHBondContact O-N 2.74Å; S395-E399 PolarHBondContact O-N 3.49Å; S395-E399 VanDerWaalsContact O-N 3.16Å
396	P	94.4	Very high	97.7	Very high	77 Å²	77	35.5 Å²	35.5	50%	0.5	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-52.8	-36	179.8	-29.3	35.3	0	0	0	114.2	H338 Y398	H338-P396 PolarHBondContact CE1-O 3.22Å; H338-P396 VanDerWaalsContact CE1-O 3.28Å; P396-Y398 VanDerWaalsContact C-N 3.28Å; P396-Y398 PolarHBondContact O-N 2.76Å
397	T	95.9	Very high	97.7	Very high	42 Å²	42	35.5 Å²	35.5	26%	0.258	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-61.9	-34.6	178.7	-53.4	0	0	0	0	112.7	A341 S395	A341-T397 HydrophobicContact CB-CG2 3.9Å; A341-T397 WeakPolarHBondContact CB-O 3.33Å; S395-T397 PolarHBondContact O-N 3.24Å; S395-T397 VanDerWaalsContact O-N 3.07Å
398	Y	98	Very high	97.7	Very high	81 Å²	81	33.5 Å²	33.5	32%	0.318	17%	0.174	S	C	.	.	G	3₁₀ helix	trans	-109.6	8.6	-172.7	-62.6	-62.1	0	0	0	113.6	A341 I345 F391 N392 S395 P396 Y400 A401	A341-Y398 HydrophobicContact CB-CD1 4.16Å; A341-Y398 HydrophobicContact CB-CE1 4.16Å; I345-Y398 HydrophobicContact CD1-CD1 4.25Å; F391-Y398 HydrophobicContact CB-CD1 4.5Å; F391-Y398 HydrophobicContact CB-CG 4.47Å; F391-Y398 AromaticContact CD1-CD1 3.7Å; F391-Y398 HydrophobicContact CD1-CD1 3.7Å; F391-Y398 AromaticContact CD1-CE1 3.84Å; F391-Y398 HydrophobicContact CD1-CE1 3.84Å; F391-Y398 HydrophobicContact CD1-CG 4.38Å; F391-Y398 HydrophobicContact CE1-CD1 4.46Å; F391-Y398 HydrophobicContact CE1-CE1 4.29Å; F391-Y398 HydrophobicContact CG-CD1 4.49Å; N392-Y398 WeakPolarHBondContact O-CB 3.36Å; S395-Y398 PolarHBondContact O-N 2.74Å; P396-Y398 VanDerWaalsContact C-N 3.28Å; P396-Y398 PolarHBondContact O-N 2.76Å; Y398-Y400 PolarHBondContact O-N 3.31Å; Y398-A401 WeakPolarHBondContact O-CB 3.35Å; Y398-A401 PolarHBondContact O-N 2.66Å
399	E	97.8	Very high	97.6	Very high	21 Å²	21	29.5 Å²	29.5	10%	0.098	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-50.6	-35.3	179	-169.4	-175.4	89	0	0	112.3	H148 S395 A401 L402	H148-E399 IonicContact CD2-OE2 3.93Å; H148-E399 VanDerWaalsContact CE1-CD 3.42Å; H148-E399 IonicContact CE1-OE1 3.84Å; H148-E399 PolarHBondContact CE1-OE1 3.02Å; H148-E399 VanDerWaalsContact CE1-OE1 3.23Å; H148-E399 IonicContact CE1-OE2 3.14Å; H148-E399 VanDerWaalsContact NE2-CD 3.26Å; H148-E399 IonicContact NE2-OE1 3.54Å; H148-E399 PolarHBondContact NE2-OE1 3.28Å; H148-E399 IonicContact NE2-OE2 3.6Å; H148-E399 PolarHBondContact NE2-OE2 2.85Å; S395-E399 PolarHBondContact O-N 3.49Å; S395-E399 VanDerWaalsContact O-N 3.16Å; E399-A401 PolarHBondContact O-N 3.12Å; E399-L402 HydrophobicContact CG-CD1 4.13Å; E399-L402 WeakPolarHBondContact O-CB 3.48Å; E399-L402 WeakPolarHBondContact O-CG 3.27Å; E399-L402 PolarHBondContact O-N 3.14Å
400	Y	98.2	Very high	97.6	Very high	53 Å²	53	26.7 Å²	26.7	21%	0.208	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-60.6	-17.1	178.4	-162.9	-105.2	0	0	0	114.2	P308 R342 E346 Y398 L402 R403 H404	P308-Y400 HydrophobicContact CB-CD2 4.32Å; P308-Y400 HydrophobicContact CB-CE2 4.41Å; R342-Y400 HydrophobicContact CB-CD1 3.96Å; R342-Y400 HydrophobicContact CB-CE1 4.19Å; R342-Y400 HydrophobicContact CG-CD1 3.57Å; R342-Y400 HydrophobicContact CG-CD2 4.15Å; R342-Y400 HydrophobicContact CG-CE1 4.03Å; R342-Y400 HydrophobicContact CG-CG 3.62Å; E346-Y400 HydrophobicContact CG-CE1 4.49Å; Y398-Y400 PolarHBondContact O-N 3.31Å; Y400-L402 PolarHBondContact O-N 2.93Å; Y400-R403 HydrophobicContact CD2-CG 3.9Å; Y400-R403 HydrophobicContact CE2-CG 3.95Å; Y400-R403 HydrophobicContact CG-CG 4.37Å; Y400-R403 WeakPolarHBondContact O-CB 3.47Å; Y400-R403 PolarHBondContact O-N 3.15Å; Y400-H404 AromaticContact CD1-NE2 3.97Å; Y400-H404 AromaticContact CE1-NE2 3.63Å
401	A	98.5	Very high	97.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.	G	3₁₀ helix	trans	-59	-27.7	173.2	0	0	0	0	0	112.4	I345 F386 F391 W393 Y398 E399 R403 H404	I345-A401 HydrophobicContact CD1-CB 4.04Å; I345-A401 HydrophobicContact CG1-CB 4.44Å; I345-A401 HydrophobicContact CG2-CB 4.31Å; F386-A401 HydrophobicContact CE1-CB 4.35Å; F391-A401 HydrophobicContact CB-CB 3.85Å; W393-A401 HydrophobicContact CB-CB 4.4Å; W393-A401 HydrophobicContact CE3-CB 4.35Å; Y398-A401 WeakPolarHBondContact O-CB 3.35Å; Y398-A401 PolarHBondContact O-N 2.66Å; E399-A401 PolarHBondContact O-N 3.12Å; A401-R403 PolarHBondContact O-N 3.14Å; A401-R403 VanDerWaalsContact O-N 3.15Å; A401-H404 PolarHBondContact O-N 3.28Å
402	L	98.3	Very high	97.4	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.031	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-53.6	-34	173.3	-73.5	169.4	0	0	0	112.6	H148 S150 I153 V155 W393 E399 Y400 H404 L405	H148-L402 HydrophobicContact CB-CD1 3.99Å; S150-L402 PolarHBondContact OG-O 3.28Å; I153-L402 HydrophobicContact CD1-CD2 4.23Å; V155-L402 HydrophobicContact CG2-CD1 4.04Å; V155-L402 HydrophobicContact CG2-CD2 3.68Å; W393-L402 HydrophobicContact CB-CD1 4.39Å; W393-L402 HydrophobicContact CB-CD2 4.27Å; W393-L402 HydrophobicContact CB-CG 3.8Å; W393-L402 VanDerWaalsContact CD1-CD2 3.49Å; W393-L402 HydrophobicContact CD2-CD2 4.07Å; W393-L402 HydrophobicContact CD2-CG 4.49Å; W393-L402 HydrophobicContact CG-CD1 4.5Å; W393-L402 HydrophobicContact CG-CD2 3.68Å; W393-L402 HydrophobicContact CG-CG 3.77Å; E399-L402 HydrophobicContact CG-CD1 4.13Å; E399-L402 WeakPolarHBondContact O-CB 3.48Å; E399-L402 WeakPolarHBondContact O-CG 3.27Å; E399-L402 PolarHBondContact O-N 3.14Å; Y400-L402 PolarHBondContact O-N 2.93Å; L402-H404 PolarHBondContact O-N 3.01Å; L402-L405 HydrophobicContact CD2-CD1 3.85Å; L402-L405 PolarHBondContact O-N 2.79Å
403	R	98	Very high	97.3	Very high	38 Å²	38	24.6 Å²	24.6	14%	0.143	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-70.8	-8.7	-178.4	-53.3	-45.1	-65.1	141.3	12.8	113.7	E190 S215 P308 Y400 A401 Y406	E190-R403 IonicContact OE1-CZ 3.49Å; E190-R403 VanDerWaalsContact OE1-CZ 3.22Å; E190-R403 IonicContact OE1-NH1 3.41Å; E190-R403 PolarHBondContact OE1-NH1 3.32Å; E190-R403 IonicContact OE1-NH2 2.81Å; E190-R403 PolarHBondContact OE1-NH2 3.08Å; S215-R403 PolarHBondContact OG-NE 3.36Å; S215-R403 PolarHBondContact OG-NH2 3.41Å; S215-R403 VanDerWaalsContact OG-NH2 3.12Å; P308-R403 HydrophobicContact CB-CG 4Å; P308-R403 HydrophobicContact CG-CG 4.14Å; Y400-R403 HydrophobicContact CD2-CG 3.9Å; Y400-R403 HydrophobicContact CE2-CG 3.95Å; Y400-R403 HydrophobicContact CG-CG 4.37Å; Y400-R403 WeakPolarHBondContact O-CB 3.47Å; Y400-R403 PolarHBondContact O-N 3.15Å; A401-R403 PolarHBondContact O-N 3.14Å; A401-R403 VanDerWaalsContact O-N 3.15Å; R403-Y406 WeakPolarHBondContact O-CD1 3.27Å; R403-Y406 WeakPolarHBondContact O-CE1 3.29Å
404	H	98.2	Very high	96.9	Very high	25 Å²	25	28.7 Å²	28.7	12%	0.116	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-113	-4	-178.6	-64.7	-78.8	0	0	0	113.8	I345 V349 Y400 A401 L402 Y406 V407	I345-H404 VanDerWaalsContact CG2-CD2 3.44Å; I345-H404 WeakPolarHBondContact CG2-CD2 3.44Å; V349-H404 HydrophobicContact CG1-CB 4.28Å; V349-H404 HydrophobicContact CG2-CB 3.86Å; Y400-H404 AromaticContact CD1-NE2 3.97Å; Y400-H404 AromaticContact CE1-NE2 3.63Å; A401-H404 PolarHBondContact O-N 3.28Å; L402-H404 PolarHBondContact O-N 3.01Å; H404-Y406 PolarHBondContact O-N 2.93Å; H404-V407 VanDerWaalsContact O-CB 3.24Å; H404-V407 WeakPolarHBondContact O-CB 3.45Å; H404-V407 WeakPolarHBondContact O-CG2 3.17Å; H404-V407 PolarHBondContact O-N 2.88Å
405	L	98.1	Very high	96.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-67	-24.1	-175.2	-55.6	-179.7	0	0	0	113.4	I153 L383 F386 W393 L402 V407 L408 V409	I153-L405 HydrophobicContact CD1-CD1 3.57Å; L383-L405 HydrophobicContact CD1-CD1 4.04Å; L383-L405 HydrophobicContact CG-CD1 4.5Å; F386-L405 HydrophobicContact CD1-CD2 3.73Å; F386-L405 HydrophobicContact CE1-CD2 4Å; W393-L405 HydrophobicContact CD2-CD1 4.45Å; W393-L405 HydrophobicContact CE3-CD1 4.42Å; W393-L405 HydrophobicContact CE3-CD2 4.22Å; W393-L405 HydrophobicContact CH2-CD1 4.05Å; W393-L405 HydrophobicContact CH2-CD2 4.09Å; W393-L405 HydrophobicContact CZ2-CD1 4.07Å; W393-L405 HydrophobicContact CZ3-CD1 4.24Å; W393-L405 HydrophobicContact CZ3-CD2 3.74Å; L402-L405 HydrophobicContact CD2-CD1 3.85Å; L402-L405 PolarHBondContact O-N 2.79Å; L405-V407 PolarHBondContact O-N 2.87Å; L405-V407 VanDerWaalsContact O-N 3.14Å; L405-L408 HydrophobicContact CD2-CD1 4.11Å; L405-L408 WeakPolarHBondContact O-CB 3.44Å; L405-L408 PolarHBondContact O-N 3.44Å; L405-V409 PolarHBondContact O-N 3.49Å
406	Y	98	Very high	96	Very high	19 Å²	19	31.8 Å²	31.8	8%	0.075	16%	0.16	C	C	.	.	H	α-helix	trans	-57.2	-26.9	170.5	78.6	-93.2	0	0	0	112.7	T151 L367 E369 R370 R403 H404 L408 V409 N410	T151-Y406 WeakPolarHBondContact OG1-CB 3.47Å; L367-Y406 PolarHBondContact O-OH 3.23Å; E369-Y406 WeakPolarHBondContact O-CD2 3.37Å; E369-Y406 WeakPolarHBondContact O-CE2 3.4Å; R370-Y406 VanDerWaalsContact CD-CD2 3.49Å; R370-Y406 VanDerWaalsContact CZ-CE1 3.44Å; R370-Y406 VanDerWaalsContact CZ-CE2 3.42Å; R370-Y406 PolarHBondContact NH1-OH 3.43Å; R370-Y406 VanDerWaalsContact NH2-CE1 3.28Å; R403-Y406 WeakPolarHBondContact O-CD1 3.27Å; R403-Y406 WeakPolarHBondContact O-CE1 3.29Å; H404-Y406 PolarHBondContact O-N 2.93Å; Y406-L408 VanDerWaalsContact C-N 3.29Å; Y406-L408 PolarHBondContact O-N 2.91Å; Y406-V409 WeakPolarHBondContact O-CB 3.36Å; Y406-V409 PolarHBondContact O-N 3.18Å; Y406-N410 PolarHBondContact O-N 3.45Å; Y406-N410 PolarHBondContact O-OD1 3.48Å
407	V	98.3	Very high	96	Very high	1 Å²	1	31 Å²	31	1%	0.006	16%	0.155	C	C	.	.	H	α-helix	trans	-66.1	-37	176.5	179.4	0	0	0	0	109.9	V349 V353 L367 H404 L405 V409 N410 L411	V349-V407 HydrophobicContact CG1-CB 4.15Å; V349-V407 HydrophobicContact CG1-CG1 4Å; V349-V407 HydrophobicContact CG1-CG2 4.02Å; V353-V407 HydrophobicContact CG2-CG1 3.43Å; V353-V407 VanDerWaalsContact CG2-CG1 3.43Å; L367-V407 HydrophobicContact CD2-CG1 4.02Å; L367-V407 HydrophobicContact CD2-CG2 3.96Å; H404-V407 VanDerWaalsContact O-CB 3.24Å; H404-V407 WeakPolarHBondContact O-CB 3.45Å; H404-V407 WeakPolarHBondContact O-CG2 3.17Å; H404-V407 PolarHBondContact O-N 2.88Å; L405-V407 PolarHBondContact O-N 2.87Å; L405-V407 VanDerWaalsContact O-N 3.14Å; V407-V409 VanDerWaalsContact C-N 3.29Å; V407-V409 PolarHBondContact O-N 3.02Å; V407-N410 WeakPolarHBondContact O-CB 3.27Å; V407-N410 PolarHBondContact O-N 3.04Å; V407-L411 WeakPolarHBondContact O-CG 3.4Å; V407-L411 PolarHBondContact O-N 3.21Å
408	L	97.6	Very high	96	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.031	15%	0.152	C	C	.	.	H	α-helix	trans	-67	-34.1	176	-52.2	-174.8	0	0	0	111.4	Y379 F386 L405 Y406 L411 C412 M425	Y379-L408 HydrophobicContact CD2-CB 4.07Å; Y379-L408 HydrophobicContact CE2-CB 3.96Å; F386-L408 HydrophobicContact CB-CD1 3.77Å; F386-L408 HydrophobicContact CD1-CD1 4.13Å; F386-L408 HydrophobicContact CG-CD1 3.97Å; L405-L408 HydrophobicContact CD2-CD1 4.11Å; L405-L408 WeakPolarHBondContact O-CB 3.44Å; L405-L408 PolarHBondContact O-N 3.44Å; Y406-L408 VanDerWaalsContact C-N 3.29Å; Y406-L408 PolarHBondContact O-N 2.91Å; L408-L411 HydrophobicContact CD2-CD1 4.22Å; L408-L411 PolarHBondContact O-N 3.19Å; L408-C412 PolarHBondContact O-N 3.05Å; L408-C412 PolarHBondContact O-SG 2.98Å; L408-M425 HydrophobicContact CD1-CE 4.01Å; L408-M425 HydrophobicContact CD2-CE 3.38Å; L408-M425 HydrophobicContact CG-CE 4.32Å
409	V	97	Very high	96	Very high	1 Å²	1	33 Å²	33	1%	0.006	17%	0.165	C	C	.	.	H	α-helix	trans	-60.6	-52.7	169	-178.5	0	0	0	0	109.6	T151 L373 Y379 L405 Y406 V407 L411 C412 E413	T151-V409 HydrophobicContact CG2-CB 4.48Å; T151-V409 HydrophobicContact CG2-CG2 3.8Å; L373-V409 HydrophobicContact CB-CG1 4.06Å; L373-V409 HydrophobicContact CD1-CG1 3.96Å; L373-V409 HydrophobicContact CD1-CG2 4.26Å; Y379-V409 HydrophobicContact CD1-CG2 4.13Å; Y379-V409 HydrophobicContact CD2-CG2 3.59Å; Y379-V409 HydrophobicContact CE1-CG2 3.91Å; Y379-V409 HydrophobicContact CE2-CG2 3.36Å; Y379-V409 HydrophobicContact CG-CG2 3.96Å; L405-V409 PolarHBondContact O-N 3.49Å; Y406-V409 WeakPolarHBondContact O-CB 3.36Å; Y406-V409 PolarHBondContact O-N 3.18Å; V407-V409 VanDerWaalsContact C-N 3.29Å; V407-V409 PolarHBondContact O-N 3.02Å; V409-L411 PolarHBondContact O-N 2.99Å; V409-C412 PolarHBondContact O-N 2.74Å; V409-E413 HydrophobicContact CG1-CG 4Å; V409-E413 WeakPolarHBondContact O-CG 3.32Å; V409-E413 PolarHBondContact O-N 3.17Å
410	N	97.3	Very high	95.9	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.037	18%	0.18	C	C	.	.	H	α-helix	trans	-55.1	-40.4	178.9	-65.4	-16.4	0	0	0	112.4	L366 E369 A371 Y406 V407 E413 K414	L366-N410 HydrophobicContact CD2-CB 3.82Å; L366-N410 PolarHBondContact O-ND2 2.75Å; E369-N410 PolarHBondContact O-ND2 3.21Å; A371-N410 WeakPolarHBondContact CB-OD1 3.39Å; A371-N410 PolarHBondContact N-OD1 2.78Å; Y406-N410 PolarHBondContact O-N 3.45Å; Y406-N410 PolarHBondContact O-OD1 3.48Å; V407-N410 WeakPolarHBondContact O-CB 3.27Å; V407-N410 PolarHBondContact O-N 3.04Å; N410-E413 PolarHBondContact O-N 2.99Å; N410-K414 VanDerWaalsContact O-CB 3.29Å; N410-K414 WeakPolarHBondContact O-CB 3.5Å; N410-K414 PolarHBondContact O-N 2.65Å
411	L	96.6	Very high	95.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-64.7	-42.1	176.1	-68	175.8	0	0	0	112.6	I352 V353 L356 L366 V407 L408 V409 K414 Y416 I421	I352-L411 HydrophobicContact CG2-CD1 4.46Å; V353-L411 HydrophobicContact CG2-CD1 4.49Å; V353-L411 HydrophobicContact CG2-CD2 4.41Å; L356-L411 HydrophobicContact CD1-CD1 3.92Å; L356-L411 HydrophobicContact CD1-CD2 3.81Å; L356-L411 HydrophobicContact CD1-CG 4.44Å; L366-L411 HydrophobicContact CD1-CD2 3.93Å; L366-L411 HydrophobicContact CD2-CD2 4.39Å; V407-L411 WeakPolarHBondContact O-CG 3.4Å; V407-L411 PolarHBondContact O-N 3.21Å; L408-L411 HydrophobicContact CD2-CD1 4.22Å; L408-L411 PolarHBondContact O-N 3.19Å; V409-L411 PolarHBondContact O-N 2.99Å; L411-K414 PolarHBondContact O-N 3.21Å; L411-Y416 HydrophobicContact CB-CD2 4.25Å; L411-Y416 HydrophobicContact CD2-CD2 3.69Å; L411-Y416 HydrophobicContact CD2-CE2 3.71Å; L411-Y416 WeakPolarHBondContact O-CD2 3.46Å; L411-Y416 PolarHBondContact O-N 3.08Å; L411-I421 HydrophobicContact CB-CD1 3.93Å; L411-I421 HydrophobicContact CB-CG1 4.43Å; L411-I421 HydrophobicContact CD1-CG2 4.35Å
412	C	96.1	Very high	95.9	Very high	13 Å²	13	37 Å²	37	9%	0.088	18%	0.18	C	C	.	.	H	α-helix	trans	-68.9	-34	176.7	-76.8	0	0	0	0	113	C378 Y379 L408 V409	C378-C412 HydrophobicContact CB-CB 3.67Å; C378-C412 WeakPolarHBondContact CB-SG 3.35Å; C378-C412 VanDerWaalsContact SG-CA 3.55Å; C378-C412 WeakPolarHBondContact SG-CB 3.29Å; C378-C412 CovalentContact SG-SG 2.05Å; C378-C412 PolarHBondContact SG-SG 3.3Å; Y379-C412 PolarHBondContact N-SG 3.47Å; Y379-C412 VanDerWaalsContact N-SG 3.45Å; L408-C412 PolarHBondContact O-N 3.05Å; L408-C412 PolarHBondContact O-SG 2.98Å; V409-C412 PolarHBondContact O-N 2.74Å
413	E	95.3	Very high	95.9	Very high	49 Å²	49	42 Å²	42	23%	0.229	21%	0.207	C	C	.	.	H	α-helix	trans	-80.5	-18.5	177.3	-60.3	-55.9	141.6	0	0	113.3	A371 P372 T374 G375 V409 N410 P415	A371-E413 HydrophobicContact CB-CB 3.91Å; A371-E413 HydrophobicContact CB-CG 3.82Å; P372-E413 VanDerWaalsContact O-CD 3.23Å; P372-E413 WeakPolarHBondContact O-CG 3.41Å; T374-E413 PolarHBondContact N-OE1 3.47Å; T374-E413 PolarHBondContact OG1-OE2 2.95Å; G375-E413 PolarHBondContact N-OE1 2.95Å; V409-E413 HydrophobicContact CG1-CG 4Å; V409-E413 WeakPolarHBondContact O-CG 3.32Å; V409-E413 PolarHBondContact O-N 3.17Å; N410-E413 PolarHBondContact O-N 2.99Å; E413-P415 WeakPolarHBondContact O-CD 3.41Å
414	K	89.9	Confident	95.9	Very high	92 Å²	92	40.7 Å²	40.7	40%	0.4	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	30.9	172.4	-164.7	62.2	175.5	-163.2	0	112.6	E362 L366 N410 L411 Y416	E362-K414 WeakPolarHBondContact OE1-CE 3.42Å; E362-K414 IonicContact OE1-NZ 4Å; L366-K414 HydrophobicContact CD2-CB 4.1Å; L366-K414 HydrophobicContact CD2-CG 4.34Å; N410-K414 VanDerWaalsContact O-CB 3.29Å; N410-K414 WeakPolarHBondContact O-CB 3.5Å; N410-K414 PolarHBondContact O-N 2.65Å; L411-K414 PolarHBondContact O-N 3.21Å; K414-Y416 HydrophobicContact CB-CD2 4.12Å; K414-Y416 HydrophobicContact CB-CE2 3.87Å; K414-Y416 HydrophobicContact CG-CD2 4.42Å; K414-Y416 HydrophobicContact CG-CE2 3.77Å; K414-Y416 PolarHBondContact O-N 3.14Å; K414-Y416 VanDerWaalsContact O-N 3.12Å
415	P	81	Confident	95.9	Very high	109 Å²	109	39.5 Å²	39.5	71%	0.708	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	3.3	56.9	-152	22.6	-40.9	0	0	0	118.5	E413	E413-P415 WeakPolarHBondContact O-CD 3.41Å
416	Y	93.9	Very high	95.8	Very high	28 Å²	28	41.4 Å²	41.4	11%	0.11	21%	0.208	C	C	.	.			trans	-67.6	136.5	165.1	-66.1	-70.3	0	0	0	109.8	L356 E362 L366 L411 K414 L418	L356-Y416 HydrophobicContact CB-CD1 4.21Å; L356-Y416 HydrophobicContact CB-CE1 4.09Å; L356-Y416 HydrophobicContact CB-CE2 4.4Å; L356-Y416 HydrophobicContact CB-CG 4.44Å; L356-Y416 HydrophobicContact CD2-CD1 4.46Å; L356-Y416 WeakPolarHBondContact O-CE1 3.08Å; E362-Y416 PolarHBondContact OE1-OH 3.13Å; L366-Y416 HydrophobicContact CD1-CE2 3.91Å; L411-Y416 HydrophobicContact CB-CD2 4.25Å; L411-Y416 HydrophobicContact CD2-CD2 3.69Å; L411-Y416 HydrophobicContact CD2-CE2 3.71Å; L411-Y416 WeakPolarHBondContact O-CD2 3.46Å; L411-Y416 PolarHBondContact O-N 3.08Å; K414-Y416 HydrophobicContact CB-CD2 4.12Å; K414-Y416 HydrophobicContact CB-CE2 3.87Å; K414-Y416 HydrophobicContact CG-CD2 4.42Å; K414-Y416 HydrophobicContact CG-CE2 3.77Å; K414-Y416 PolarHBondContact O-N 3.14Å; K414-Y416 VanDerWaalsContact O-N 3.12Å; Y416-L418 PolarHBondContact O-N 2.05Å
417	P	95.3	Very high	95.8	Very high	61 Å²	61	44.2 Å²	44.2	40%	0.396	22%	0.221	S	C	.	.			trans	-58.9	130.5	175.9	-24.3	33.7	0	0	0	110.9	H419 R420 I421	P417-H419 WeakPolarHBondContact CB-CE1 3.26Å; P417-H419 WeakPolarHBondContact CB-ND1 3.05Å; P417-H419 PolarHBondContact O-N 3.31Å; P417-H419 VanDerWaalsContact O-N 3.11Å; P417-R420 HydrophobicContact CB-CG 4.33Å; P417-R420 WeakPolarHBondContact O-CA 3.46Å; P417-R420 WeakPolarHBondContact O-CB 3.4Å; P417-R420 PolarHBondContact O-N 2.88Å; P417-I421 PolarHBondContact O-N 3.37Å
418	L	95.8	Very high	95.7	Very high	36 Å²	36	45.6 Å²	45.6	19%	0.188	23%	0.23	C	C	.	.	H	α-helix	trans	-51.8	-39.3	-177.5	177.5	62.2	0	0	0	113.1	E381 A382 Y416 R420 I421 K422	E381-L418 HydrophobicContact CB-CD1 4.2Å; E381-L418 HydrophobicContact CB-CD2 3.59Å; E381-L418 HydrophobicContact CB-CG 4.49Å; E381-L418 VanDerWaalsContact CD-CD2 3.47Å; E381-L418 HydrophobicContact CG-CD2 4.12Å; E381-L418 VanDerWaalsContact OE2-CD2 3.27Å; E381-L418 WeakPolarHBondContact OE2-CD2 3.49Å; A382-L418 HydrophobicContact CB-CD1 3.91Å; Y416-L418 PolarHBondContact O-N 2.05Å; L418-R420 VanDerWaalsContact C-N 3.26Å; L418-R420 PolarHBondContact O-N 2.65Å; L418-I421 WeakPolarHBondContact O-CB 3.32Å; L418-I421 PolarHBondContact O-N 2.99Å; L418-I421 VanDerWaalsContact O-N 3.14Å; L418-K422 HydrophobicContact CD1-CD 4.46Å; L418-K422 HydrophobicContact CD1-CG 4.25Å; L418-K422 HydrophobicContact CG-CD 4.3Å; L418-K422 HydrophobicContact CG-CG 4.46Å; L418-K422 WeakPolarHBondContact O-CG 3.47Å; L418-K422 PolarHBondContact O-N 3.17Å
419	H	96.6	Very high	95.7	Very high	128 Å²	128	47 Å²	47	59%	0.593	24%	0.24	S	C	*	.	H	α-helix	trans	-60.7	-34.3	176.7	75.9	-91.1	0	0	0	112.8	P417 L423	P417-H419 WeakPolarHBondContact CB-CE1 3.26Å; P417-H419 WeakPolarHBondContact CB-ND1 3.05Å; P417-H419 PolarHBondContact O-N 3.31Å; P417-H419 VanDerWaalsContact O-N 3.11Å; H419-L423 VanDerWaalsContact O-CB 3.26Å; H419-L423 WeakPolarHBondContact O-CB 3.41Å; H419-L423 PolarHBondContact O-N 2.96Å
420	R	97.3	Very high	95.4	Very high	108 Å²	108	50.8 Å²	50.8	41%	0.408	26%	0.26	S	S	.	.	H	α-helix	trans	-73.1	-36	175.8	-67.6	-161.5	65.2	-162.7	-6.9	111.7	L356 P417 L418 S424	L356-R420 HydrophobicContact CD2-CB 3.83Å; P417-R420 HydrophobicContact CB-CG 4.33Å; P417-R420 WeakPolarHBondContact O-CA 3.46Å; P417-R420 WeakPolarHBondContact O-CB 3.4Å; P417-R420 PolarHBondContact O-N 2.88Å; L418-R420 VanDerWaalsContact C-N 3.26Å; L418-R420 PolarHBondContact O-N 2.65Å; R420-S424 WeakPolarHBondContact O-CB 3.49Å; R420-S424 PolarHBondContact O-N 3.37Å; R420-S424 PolarHBondContact O-OG 2.89Å
421	I	97.9	Very high	94	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.6	-53.3	173.8	-61	173.8	0	0	0	109.3	L356 A382 L411 P417 L418 L423 S424 M425	L356-I421 HydrophobicContact CD1-CG1 4.11Å; A382-I421 HydrophobicContact CB-CG2 4.3Å; L411-I421 HydrophobicContact CB-CD1 3.93Å; L411-I421 HydrophobicContact CB-CG1 4.43Å; L411-I421 HydrophobicContact CD1-CG2 4.35Å; P417-I421 PolarHBondContact O-N 3.37Å; L418-I421 WeakPolarHBondContact O-CB 3.32Å; L418-I421 PolarHBondContact O-N 2.99Å; L418-I421 VanDerWaalsContact O-N 3.14Å; I421-L423 PolarHBondContact O-N 3.38Å; I421-S424 WeakPolarHBondContact O-CB 3.35Å; I421-S424 PolarHBondContact O-N 3Å; I421-S424 VanDerWaalsContact O-N 3.17Å; I421-M425 HydrophobicContact CG2-CE 3.64Å; I421-M425 HydrophobicContact CG2-SD 4.35Å; I421-M425 WeakPolarHBondContact O-CG 3.46Å; I421-M425 PolarHBondContact O-N 3.1Å
422	K	98	Very high	91.8	Very high	49 Å²	49	58.8 Å²	58.8	21%	0.213	31%	0.308	C	S	.	.	H	α-helix	trans	-58.9	-46.5	178.2	-66.9	-176.9	177.5	-179.5	0	112.2	E381 H385 L418 S424 M425 D426	E381-K422 IonicContact OE2-NZ 3.76Å; E381-K422 PolarHBondContact OE2-NZ 3.28Å; H385-K422 HydrophobicContact CB-CD 4.26Å; H385-K422 HydrophobicContact CB-CG 3.95Å; L418-K422 HydrophobicContact CD1-CD 4.46Å; L418-K422 HydrophobicContact CD1-CG 4.25Å; L418-K422 HydrophobicContact CG-CD 4.3Å; L418-K422 HydrophobicContact CG-CG 4.46Å; L418-K422 WeakPolarHBondContact O-CG 3.47Å; L418-K422 PolarHBondContact O-N 3.17Å; K422-S424 VanDerWaalsContact C-N 3.28Å; K422-S424 PolarHBondContact O-N 3.1Å; K422-M425 WeakPolarHBondContact O-CA 3.36Å; K422-M425 WeakPolarHBondContact O-CB 3.37Å; K422-M425 PolarHBondContact O-N 3.46Å; K422-M425 VanDerWaalsContact O-N 3.08Å; K422-D426 PolarHBondContact O-N 3.05Å
423	L	97.5	Very high	89.3	Confident	113 Å²	113	71.3 Å²	71.3	59%	0.592	36%	0.355	S	S	*	.	H	α-helix	trans	-60.4	-37.4	177	-176.5	65.4	0	0	0	112.7	H419 I421 M425 D426 H427	H419-L423 VanDerWaalsContact O-CB 3.26Å; H419-L423 WeakPolarHBondContact O-CB 3.41Å; H419-L423 PolarHBondContact O-N 2.96Å; I421-L423 PolarHBondContact O-N 3.38Å; L423-M425 VanDerWaalsContact C-N 3.34Å; L423-D426 PolarHBondContact O-N 3.25Å; L423-H427 WeakPolarHBondContact O-CB 3.37Å; L423-H427 PolarHBondContact O-N 3.48Å
424	S	97.7	Very high	89	Confident	10 Å²	10	72.4 Å²	72.4	7%	0.07	36%	0.361	C	S	.	.	H	α-helix	trans	-68.2	-36.2	176.8	-56.3	0	0	0	0	111.5	L356 R420 I421 K422 V428	L356-S424 WeakPolarHBondContact CD2-OG 3.34Å; R420-S424 WeakPolarHBondContact O-CB 3.49Å; R420-S424 PolarHBondContact O-N 3.37Å; R420-S424 PolarHBondContact O-OG 2.89Å; I421-S424 WeakPolarHBondContact O-CB 3.35Å; I421-S424 PolarHBondContact O-N 3Å; I421-S424 VanDerWaalsContact O-N 3.17Å; K422-S424 VanDerWaalsContact C-N 3.28Å; K422-S424 PolarHBondContact O-N 3.1Å; S424-V428 WeakPolarHBondContact O-CB 3.41Å; S424-V428 VanDerWaalsContact O-CG2 3.27Å; S424-V428 WeakPolarHBondContact O-CG2 2.92Å; S424-V428 PolarHBondContact O-N 3.3Å
425	M	98.3	Very high	89	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	36%	0.359	C	S	.	.	H	α-helix	trans	-62.3	-49.7	171.4	-65.8	166.9	174	0	0	110.9	I352 A382 H385 F386 L408 I421 K422 L423 H427 V428 C429	I352-M425 HydrophobicContact CD1-CB 4.47Å; I352-M425 HydrophobicContact CD1-CG 3.97Å; I352-M425 HydrophobicContact CG2-CG 4.39Å; A382-M425 HydrophobicContact CB-CE 4.49Å; H385-M425 HydrophobicContact CB-SD 4.2Å; F386-M425 HydrophobicContact CB-CE 3.83Å; F386-M425 HydrophobicContact CB-SD 4.04Å; F386-M425 HydrophobicContact CD2-CE 4.03Å; F386-M425 HydrophobicContact CD2-CG 4.3Å; F386-M425 HydrophobicContact CD2-SD 4.31Å; F386-M425 HydrophobicContact CG-CE 4.28Å; L408-M425 HydrophobicContact CD1-CE 4.01Å; L408-M425 HydrophobicContact CD2-CE 3.38Å; L408-M425 HydrophobicContact CG-CE 4.32Å; I421-M425 HydrophobicContact CG2-CE 3.64Å; I421-M425 HydrophobicContact CG2-SD 4.35Å; I421-M425 WeakPolarHBondContact O-CG 3.46Å; I421-M425 PolarHBondContact O-N 3.1Å; K422-M425 WeakPolarHBondContact O-CA 3.36Å; K422-M425 WeakPolarHBondContact O-CB 3.37Å; K422-M425 PolarHBondContact O-N 3.46Å; K422-M425 VanDerWaalsContact O-N 3.08Å; L423-M425 VanDerWaalsContact C-N 3.34Å; M425-H427 VanDerWaalsContact C-N 3.35Å; M425-H427 PolarHBondContact O-N 2.89Å; M425-V428 PolarHBondContact O-N 3.11Å; M425-C429 VanDerWaalsContact O-CB 3.27Å; M425-C429 WeakPolarHBondContact O-CB 3.38Å; M425-C429 PolarHBondContact O-N 3.28Å; M425-C429 PolarHBondContact O-SG 3.35Å; M425-C429 VanDerWaalsContact O-SG 3.39Å
426	D	97.7	Very high	89.4	Confident	39 Å²	39	69.3 Å²	69.3	21%	0.209	34%	0.34	C	S	.	.	H	α-helix	trans	-59	-46.3	-179.5	-64.2	-25.5	0	0	0	111.8	H385 H389 K422 L423 V428 L430	H385-D426 IonicContact CD2-OD1 3.06Å; H385-D426 IonicContact CE1-OD1 2.88Å; H385-D426 IonicContact CE1-OD2 3.85Å; H385-D426 IonicContact NE2-OD1 3.55Å; H385-D426 PolarHBondContact NE2-OD1 3.12Å; H385-D426 IonicContact NE2-OD2 2.76Å; H389-D426 IonicContact CD2-OD1 2.73Å; H389-D426 PolarHBondContact CD2-OD1 3.18Å; H389-D426 IonicContact CG-OD1 3.74Å; K422-D426 PolarHBondContact O-N 3.05Å; L423-D426 PolarHBondContact O-N 3.25Å; D426-V428 VanDerWaalsContact C-N 3.31Å; D426-V428 PolarHBondContact O-N 2.83Å; D426-L430 WeakPolarHBondContact O-CB 3.42Å; D426-L430 PolarHBondContact O-N 3.34Å
427	H	96.2	Very high	89.1	Confident	78 Å²	78	71.7 Å²	71.7	36%	0.361	35%	0.354	S	S	.	.	H	α-helix	trans	-61.1	-39.2	178.8	179.1	-77.1	0	0	0	112.2	L355 L423 M425	L355-H427 HydrophobicContact CD1-CB 4.37Å; L423-H427 WeakPolarHBondContact O-CB 3.37Å; L423-H427 PolarHBondContact O-N 3.48Å; M425-H427 VanDerWaalsContact C-N 3.35Å; M425-H427 PolarHBondContact O-N 2.89Å
428	V	97.3	Very high	88.8	Confident	31 Å²	31	72.4 Å²	72.4	19%	0.188	35%	0.351	C	S	.	.	H	α-helix	trans	-82.6	-42.8	-176.7	174.4	0	0	0	0	112.4	K351 I352 L355 S424 M425 D426	K351-V428 HydrophobicContact CB-CG1 4.06Å; K351-V428 HydrophobicContact CB-CG2 4.1Å; K351-V428 HydrophobicContact CG-CG1 4.2Å; K351-V428 HydrophobicContact CG-CG2 3.63Å; I352-V428 HydrophobicContact CG1-CB 3.86Å; I352-V428 HydrophobicContact CG1-CG1 4.12Å; I352-V428 HydrophobicContact CG1-CG2 3.91Å; L355-V428 HydrophobicContact CD1-CG2 3.61Å; S424-V428 WeakPolarHBondContact O-CB 3.41Å; S424-V428 VanDerWaalsContact O-CG2 3.27Å; S424-V428 WeakPolarHBondContact O-CG2 2.92Å; S424-V428 PolarHBondContact O-N 3.3Å; M425-V428 PolarHBondContact O-N 3.11Å; D426-V428 VanDerWaalsContact C-N 3.31Å; D426-V428 PolarHBondContact O-N 2.83Å
429	C	96.3	Very high	88.3	Confident	36 Å²	36	74.8 Å²	74.8	24%	0.243	36%	0.362	C	S	.	.	H	α-helix	trans	-92.7	-29.6	-168.2	-58.4	0	0	0	0	113.5	H389 C390 M425	H389-C429 WeakPolarHBondContact O-CB 3.4Å; C390-C429 HydrophobicContact CB-CB 3.77Å; C390-C429 WeakPolarHBondContact CB-SG 3.43Å; C390-C429 WeakPolarHBondContact SG-CB 3.46Å; C390-C429 CovalentContact SG-SG 2.04Å; C390-C429 PolarHBondContact SG-SG 3.11Å; M425-C429 VanDerWaalsContact O-CB 3.27Å; M425-C429 WeakPolarHBondContact O-CB 3.38Å; M425-C429 PolarHBondContact O-N 3.28Å; M425-C429 PolarHBondContact O-SG 3.35Å; M425-C429 VanDerWaalsContact O-SG 3.39Å
430	L	90.8	Very high	87.7	Confident	80 Å²	80	71 Å²	71	42%	0.419	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-12.8	-178.8	-57.1	178.9	0	0	0	113.2	H389 D426 H432	H389-L430 HydrophobicContact CB-CD1 4.28Å; H389-L430 WeakPolarHBondContact O-CD2 3.5Å; D426-L430 WeakPolarHBondContact O-CB 3.42Å; D426-L430 PolarHBondContact O-N 3.34Å; L430-H432 VanDerWaalsContact C-N 3.27Å; L430-H432 VanDerWaalsContact CB-CD2 3.47Å; L430-H432 WeakPolarHBondContact CB-CD2 3.49Å; L430-H432 PolarHBondContact O-N 2.9Å
431	G	68.8	Low	87	Confident	43 Å²	43	68.2 Å²	68.2	44%	0.443	34%	0.34	S	S	.	.			trans	69	22.9	179.5	0	0	0	0	0	114	Y433	G431-Y433 WeakPolarHBondContact O-CD2 3.15Å; G431-Y433 PolarHBondContact O-N 2.76Å
432	H	50.4	Low	86.1	Confident	131 Å²	131	73.8 Å²	73.8	61%	0.606	37%	0.369	S	S	*	.			trans	-74	116.8	174.8	-70.3	-55.1	0	0	0	110.4	L430	L430-H432 VanDerWaalsContact C-N 3.27Å; L430-H432 VanDerWaalsContact CB-CD2 3.47Å; L430-H432 WeakPolarHBondContact CB-CD2 3.49Å; L430-H432 PolarHBondContact O-N 2.9Å
433	Y	43.6	Very low	85	Confident	276 Å²	276	76.1 Å²	76.1	100%	1.082	38%	0.383	S	S	*	.			trans	-89.7	0	173.7	-74.1	-83.1	0	0	0	112	G431	G431-Y433 WeakPolarHBondContact O-CD2 3.15Å; G431-Y433 PolarHBondContact O-N 2.76Å

Retrieved 433 of 433 residues in 1293.6 ms (Link to these results)

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