A0A077ZLD6_TRITR Loading...

Methyltransf 5 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLD6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 313 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31	Very low	55.6	Low	234 Å²	234	108.7 Å²	108.7	100%	1.153	53%	0.528	S	S	*	.				0	108.7	0	-72.8	-101.2	-86.9	0	0	106.4	E3	M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 2.72Å; M1-E3 VanDerWaalsContact O-N 3.1Å
2	M	28.6	Very low	58.7	Low	183 Å²	183	103.5 Å²	103.5	90%	0.901	50%	0.504	S	S	*	.			trans	-71.6	98.4	169.3	-77.6	173.8	175.2	0	0	106	N4	M2-N4 PolarHBondContact O-N 2.77Å
3	E	33.8	Very low	61.5	Low	134 Å²	134	102.3 Å²	102.3	63%	0.626	50%	0.501	S	S	*	.			trans	-66.2	94.3	165	-79.3	176	159.1	0	0	106.3	M1 Y5	M1-E3 VanDerWaalsContact C-N 3.35Å; M1-E3 PolarHBondContact O-N 2.72Å; M1-E3 VanDerWaalsContact O-N 3.1Å; E3-Y5 HydrophobicContact CB-CD2 3.96Å; E3-Y5 HydrophobicContact CB-CE2 3.58Å; E3-Y5 WeakPolarHBondContact O-CD2 3.41Å; E3-Y5 PolarHBondContact O-N 3.05Å; E3-Y5 WeakPolarHBondContact OE2-CE2 3.32Å; E3-Y5 PolarHBondContact OE2-OH 3.26Å
4	N	33.4	Very low	64	Low	147 Å²	147	100.4 Å²	100.4	79%	0.786	49%	0.491	S	S	*	.			trans	-64.5	83.1	160.7	-88.8	-10.2	0	0	0	106	M2 K6	M2-N4 PolarHBondContact O-N 2.77Å; N4-K6 PolarHBondContact O-N 3.26Å
5	Y	38.1	Very low	66.2	Low	99 Å²	99	93.7 Å²	93.7	39%	0.388	46%	0.458	S	S	.	.			trans	-57.9	97.7	161.7	-69.1	-82.6	0	0	0	105.6	E3 H7	E3-Y5 HydrophobicContact CB-CD2 3.96Å; E3-Y5 HydrophobicContact CB-CE2 3.58Å; E3-Y5 WeakPolarHBondContact O-CD2 3.41Å; E3-Y5 PolarHBondContact O-N 3.05Å; E3-Y5 WeakPolarHBondContact OE2-CE2 3.32Å; E3-Y5 PolarHBondContact OE2-OH 3.26Å; Y5-H7 PolarHBondContact O-N 2.9Å
6	K	47	Very low	68.2	Low	185 Å²	185	87.8 Å²	87.8	80%	0.804	43%	0.429	S	S	*	.			trans	-52.1	118.3	160	-90.8	-176.6	173.4	-178.7	0	104.4	N4 T8	N4-K6 PolarHBondContact O-N 3.26Å; K6-T8 PolarHBondContact O-N 2.98Å
7	H	58.4	Low	69.9	Low	109 Å²	109	88.4 Å²	88.4	51%	0.505	44%	0.435	S	S	.	.			trans	-69.5	76.4	176	-65.5	-45.1	0	0	0	108.3	Y5 S106 D110	Y5-H7 PolarHBondContact O-N 2.9Å; H7-S106 WeakPolarHBondContact ND1-CB 3.27Å; H7-D110 IonicContact CE1-OD2 3.2Å; H7-D110 PolarHBondContact CE1-OD2 3.01Å; H7-D110 IonicContact ND1-OD2 3.47Å
8	T	77.1	Confident	71.4	Confident	58 Å²	58	83.7 Å²	83.7	36%	0.356	41%	0.413	S	S	.	.	P	Polyproline II helix	trans	-77	125.4	173.5	-52.3	0	0	0	0	107.1	K6 V10 N297	K6-T8 PolarHBondContact O-N 2.98Å; T8-V10 PolarHBondContact O-N 3.36Å; T8-N297 PolarHBondContact O-ND2 3.34Å
9	T	83.7	Confident	72.8	Confident	36 Å²	36	79.4 Å²	79.4	22%	0.221	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-68.8	130.9	176	-59.9	0	0	0	0	108.3	L12 H37	T9-L12 HydrophobicContact CG2-CB 4.06Å; T9-L12 HydrophobicContact CG2-CD1 3.83Å; T9-L12 HydrophobicContact CG2-CG 4.45Å; T9-H37 WeakPolarHBondContact CG2-CE1 3.46Å; T9-H37 WeakPolarHBondContact CG2-ND1 3.35Å; T9-H37 VanDerWaalsContact CG2-NE2 3.34Å; T9-H37 WeakPolarHBondContact CG2-NE2 3.44Å
10	V	88.5	Confident	74	Confident	10 Å²	10	80.2 Å²	80.2	6%	0.061	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	134.7	-175.3	174.3	0	0	0	0	109.5	T8 L12 H37 I239 F241 E293 N297 A300 S303	T8-V10 PolarHBondContact O-N 3.36Å; V10-L12 PolarHBondContact O-N 3.48Å; V10-L12 VanDerWaalsContact O-N 3.09Å; V10-H37 PolarHBondContact O-NE2 2.92Å; V10-I239 WeakPolarHBondContact O-CD1 3.36Å; V10-F241 HydrophobicContact CB-CE1 4.16Å; V10-F241 HydrophobicContact CB-CZ 4.15Å; V10-F241 HydrophobicContact CG1-CE1 4Å; V10-F241 HydrophobicContact CG1-CZ 4.25Å; V10-F241 HydrophobicContact CG2-CE1 4.03Å; V10-F241 HydrophobicContact CG2-CZ 4.34Å; V10-E293 WeakPolarHBondContact CA-OE1 3.27Å; V10-N297 WeakPolarHBondContact CG2-ND2 3.29Å; V10-A300 HydrophobicContact CG1-CB 3.84Å; V10-A300 HydrophobicContact CG2-CB 4Å; V10-S303 VanDerWaalsContact CG1-OG 3.32Å; V10-S303 WeakPolarHBondContact CG1-OG 3.35Å
11	L	92	Very high	75.2	Confident	1 Å²	1	77.6 Å²	77.6	1%	0.005	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.1	38.4	179.2	-64	171.6	0	0	0	112.2	E14 A15 I239 P289 E293 L305	L11-E14 WeakPolarHBondContact CA-OE2 3.43Å; L11-E14 HydrophobicContact CB-CB 4.42Å; L11-E14 HydrophobicContact CD2-CB 4.41Å; L11-E14 HydrophobicContact CD2-CG 4.31Å; L11-A15 WeakPolarHBondContact O-CB 3.49Å; L11-A15 PolarHBondContact O-N 3.33Å; L11-I239 HydrophobicContact CB-CD1 4.2Å; L11-I239 HydrophobicContact CD1-CG2 4.31Å; L11-P289 HydrophobicContact CD2-CB 4.02Å; L11-E293 PolarHBondContact N-OE1 2.97Å; L11-L305 HydrophobicContact CD1-CB 3.64Å
12	L	93.1	Very high	78.4	Confident	46 Å²	46	72.1 Å²	72.1	24%	0.241	35%	0.351	C	S	.	.	H	α-helix	trans	-56.4	-56.9	-172	173.6	61.7	0	0	0	111	T9 V10 V16 H37 L40	T9-L12 HydrophobicContact CG2-CB 4.06Å; T9-L12 HydrophobicContact CG2-CD1 3.83Å; T9-L12 HydrophobicContact CG2-CG 4.45Å; V10-L12 PolarHBondContact O-N 3.48Å; V10-L12 VanDerWaalsContact O-N 3.09Å; L12-V16 WeakPolarHBondContact O-CG2 3.36Å; L12-V16 PolarHBondContact O-N 3.32Å; L12-H37 HydrophobicContact CD1-CB 4.42Å; L12-L40 HydrophobicContact CD1-CB 4.18Å; L12-L40 HydrophobicContact CD1-CD2 3.91Å; L12-L40 HydrophobicContact CD2-CD2 4.35Å; L12-L40 HydrophobicContact CG-CD2 3.73Å
13	D	94.6	Very high	81.7	Confident	88 Å²	88	67.1 Å²	67.1	47%	0.471	33%	0.333	S	S	.	.	H	α-helix	trans	-69.5	-44.4	-177.3	-67.3	-63.8	0	0	0	110.8	A15 V16 N17	D13-A15 PolarHBondContact O-N 3.07Å; D13-V16 PolarHBondContact O-N 3.04Å; D13-N17 WeakPolarHBondContact O-CB 3.28Å; D13-N17 PolarHBondContact O-N 3.06Å; D13-N17 PolarHBondContact O-ND2 3.02Å
14	E	96.2	Very high	84.7	Confident	75 Å²	75	65.5 Å²	65.5	35%	0.35	33%	0.328	S	S	.	.	H	α-helix	trans	-61.7	-43.1	-179.5	-66.7	78	-174.8	0	0	112.1	L11 G18 L287 L305	L11-E14 WeakPolarHBondContact CA-OE2 3.43Å; L11-E14 HydrophobicContact CB-CB 4.42Å; L11-E14 HydrophobicContact CD2-CB 4.41Å; L11-E14 HydrophobicContact CD2-CG 4.31Å; E14-G18 WeakPolarHBondContact O-CA 3.05Å; E14-G18 PolarHBondContact O-N 3.29Å; E14-L287 HydrophobicContact CB-CD1 4.13Å; E14-L287 HydrophobicContact CG-CD1 4.29Å; E14-L305 HydrophobicContact CB-CD2 3.62Å
15	A	97.3	Very high	87.8	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-70.2	-40.2	-178.4	0	0	0	0	0	111.7	L11 D13 G18 L99 S237 I239 L305	L11-A15 WeakPolarHBondContact O-CB 3.49Å; L11-A15 PolarHBondContact O-N 3.33Å; D13-A15 PolarHBondContact O-N 3.07Å; A15-G18 PolarHBondContact O-N 3.4Å; A15-L99 HydrophobicContact CB-CD1 3.86Å; A15-S237 WeakPolarHBondContact CA-OG 3.23Å; A15-S237 PolarHBondContact O-OG 3.34Å; A15-I239 HydrophobicContact CB-CD1 3.81Å; A15-I239 HydrophobicContact CB-CG1 4.16Å; A15-L305 HydrophobicContact CB-CD1 4.14Å; A15-L305 HydrophobicContact CB-CD2 4.23Å
16	V	98	Very high	90.7	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-73.1	-44.1	177.7	176.9	0	0	0	0	111.5	L12 D13 G18 L19 I21 H37 L40 I41 L99	L12-V16 WeakPolarHBondContact O-CG2 3.36Å; L12-V16 PolarHBondContact O-N 3.32Å; D13-V16 PolarHBondContact O-N 3.04Å; V16-G18 PolarHBondContact O-N 3.11Å; V16-L19 VanDerWaalsContact O-CB 3.3Å; V16-L19 WeakPolarHBondContact O-CB 3.41Å; V16-L19 PolarHBondContact O-N 3.01Å; V16-I21 HydrophobicContact CG1-CD1 3.53Å; V16-H37 HydrophobicContact CG2-CB 4.16Å; V16-L40 HydrophobicContact CB-CD2 3.84Å; V16-L40 HydrophobicContact CB-CG 4.19Å; V16-L40 HydrophobicContact CG1-CD2 4.14Å; V16-L40 HydrophobicContact CG1-CG 3.95Å; V16-L40 HydrophobicContact CG2-CB 4.21Å; V16-L40 HydrophobicContact CG2-CD2 3.87Å; V16-L40 HydrophobicContact CG2-CG 4.16Å; V16-I41 HydrophobicContact CG1-CG1 3.98Å; V16-I41 HydrophobicContact CG2-CG1 4.01Å; V16-L99 HydrophobicContact CG2-CD1 4.17Å
17	N	97.2	Very high	93.2	Very high	97 Å²	97	45.7 Å²	45.7	52%	0.519	24%	0.238	S	C	.	.	H	α-helix	trans	-59.3	-33	171.8	-70.5	-29.6	0	0	0	111.2	D13 L19 N20	D13-N17 WeakPolarHBondContact O-CB 3.28Å; D13-N17 PolarHBondContact O-N 3.06Å; D13-N17 PolarHBondContact O-ND2 3.02Å; N17-L19 PolarHBondContact O-N 3.4Å; N17-N20 PolarHBondContact O-N 2.91Å
18	G	97.2	Very high	95.1	Very high	4 Å²	4	40.5 Å²	40.5	4%	0.041	21%	0.214	C	C	.	.	H	α-helix	trans	-55.2	-28.7	172.4	0	0	0	0	0	113.6	E14 A15 V16 R235	E14-G18 WeakPolarHBondContact O-CA 3.05Å; E14-G18 PolarHBondContact O-N 3.29Å; A15-G18 PolarHBondContact O-N 3.4Å; V16-G18 PolarHBondContact O-N 3.11Å; G18-R235 WeakPolarHBondContact O-CD 3.4Å; G18-R235 PolarHBondContact O-NH1 3.3Å
19	L	98.3	Very high	96.1	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-18.3	178	-60.2	173.4	0	0	0	114	V16 N17 I21 Y27 I41 L99	V16-L19 VanDerWaalsContact O-CB 3.3Å; V16-L19 WeakPolarHBondContact O-CB 3.41Å; V16-L19 PolarHBondContact O-N 3.01Å; N17-L19 PolarHBondContact O-N 3.4Å; L19-I21 HydrophobicContact CB-CG1 4.05Å; L19-Y27 HydrophobicContact CB-CD1 4.34Å; L19-Y27 HydrophobicContact CB-CE1 4.17Å; L19-Y27 HydrophobicContact CD1-CD1 4.16Å; L19-I41 HydrophobicContact CD1-CD1 3.82Å; L19-I41 HydrophobicContact CD1-CG1 4.04Å; L19-L99 HydrophobicContact CD1-CB 4.25Å; L19-L99 HydrophobicContact CD1-CD1 4.22Å; L19-L99 HydrophobicContact CD2-CB 4.41Å
20	N	97.1	Very high	96.8	Very high	96 Å²	96	36 Å²	36	51%	0.513	19%	0.187	S	C	.	.			trans	49	64.3	-174.9	-177.1	66.9	0	0	0	111.8	N17 R22	N17-N20 PolarHBondContact O-N 2.91Å; N20-R22 PolarHBondContact O-N 3.4Å
21	I	98.3	Very high	97.2	Very high	26 Å²	26	36.7 Å²	36.7	13%	0.133	19%	0.19	C	C	.	.			trans	-61.2	135.1	-170.1	-66.1	176.4	0	0	0	111.4	V16 L19 Y27 I41 Q44 L45	V16-I21 HydrophobicContact CG1-CD1 3.53Å; L19-I21 HydrophobicContact CB-CG1 4.05Å; I21-Y27 VanDerWaalsContact CA-OH 3.29Å; I21-Y27 WeakPolarHBondContact CA-OH 3.01Å; I21-Y27 HydrophobicContact CG1-CD1 4.49Å; I21-Y27 HydrophobicContact CG1-CE1 4.06Å; I21-Y27 HydrophobicContact CG1-CE2 4.48Å; I21-Y27 HydrophobicContact CG2-CE2 3.93Å; I21-I41 HydrophobicContact CD1-CB 4.07Å; I21-I41 HydrophobicContact CD1-CG1 3.97Å; I21-I41 HydrophobicContact CD1-CG2 3.92Å; I21-Q44 HydrophobicContact CB-CB 4.26Å; I21-Q44 HydrophobicContact CD1-CB 4.09Å; I21-Q44 HydrophobicContact CG2-CB 3.83Å; I21-L45 HydrophobicContact CG2-CD2 3.81Å
22	R	98.1	Very high	97.5	Very high	118 Å²	118	36.8 Å²	36.8	45%	0.445	19%	0.191	S	C	.	.			trans	-105.8	136.5	167.7	-57.5	-169.1	-66.6	155	-2.9	108.1	N20 D24 G25 Y27 L45 D96	N20-R22 PolarHBondContact O-N 3.4Å; R22-D24 PolarHBondContact O-N 3.08Å; R22-D24 VanDerWaalsContact O-N 3.13Å; R22-G25 PolarHBondContact O-N 3.21Å; R22-Y27 PolarHBondContact N-OH 2.95Å; R22-L45 WeakPolarHBondContact O-CD2 3.35Å; R22-D96 IonicContact CZ-OD1 3.26Å; R22-D96 IonicContact NE-OD1 2.92Å; R22-D96 IonicContact NH2-OD1 2.71Å; R22-D96 PolarHBondContact NH2-OD1 3.19Å; R22-D96 IonicContact NH2-OD2 2.7Å
23	P	97.8	Very high	97.5	Very high	79 Å²	79	35.1 Å²	35.1	51%	0.513	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-31	-177.3	-28.2	35.9	0	0	0	114.5	G46 G49	P23-G46 PolarHBondContact O-N 3.15Å; P23-G49 VanDerWaalsContact O-CA 3.22Å; P23-G49 WeakPolarHBondContact O-CA 3.4Å; P23-G49 PolarHBondContact O-N 3.38Å
24	D	98.2	Very high	97.4	Very high	99 Å²	99	34.3 Å²	34.3	53%	0.529	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	8.1	-179.1	63.1	-33	0	0	0	113.6	R22 E48	R22-D24 PolarHBondContact O-N 3.08Å; R22-D24 VanDerWaalsContact O-N 3.13Å; D24-E48 HydrophobicContact CB-CB 4.37Å
25	G	98.4	Very high	97.4	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.158	C	C	.	.			trans	-82.4	165.7	-174.4	0	0	0	0	0	114.8	R22 G49 R50 D96	R22-G25 PolarHBondContact O-N 3.21Å; G25-G49 WeakPolarHBondContact O-CA 3.39Å; G25-R50 PolarHBondContact O-N 3.09Å; G25-D96 WeakPolarHBondContact CA-OD2 3.2Å
26	I	98.7	Very high	97.2	Very high	13 Å²	13	31.7 Å²	31.7	7%	0.067	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	118.3	176.2	-46.2	173.7	0	0	0	109.6	R50 L91 K94 I95 D96 G97	I26-R50 WeakPolarHBondContact CA-O 3.33Å; I26-R50 HydrophobicContact CG2-CB 4.17Å; I26-L91 HydrophobicContact CD1-CD2 3.82Å; I26-L91 HydrophobicContact CG2-CD1 4.29Å; I26-K94 HydrophobicContact CD1-CB 4.15Å; I26-I95 HydrophobicContact CB-CD1 4.18Å; I26-I95 HydrophobicContact CG2-CD1 3.53Å; I26-I95 CarbonylContact O-C 3.59Å; I26-D96 PolarHBondContact N-OD2 3.13Å; I26-D96 PolarHBondContact O-N 3.27Å; I26-G97 PolarHBondContact O-N 2.94Å
27	Y	98.8	Very high	97.2	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	152.5	-176.4	-62.8	-87	0	0	0	111.7	L19 I21 R22 I41 L45 R50 L51 L52 D96 G97	L19-Y27 HydrophobicContact CB-CD1 4.34Å; L19-Y27 HydrophobicContact CB-CE1 4.17Å; L19-Y27 HydrophobicContact CD1-CD1 4.16Å; I21-Y27 VanDerWaalsContact CA-OH 3.29Å; I21-Y27 WeakPolarHBondContact CA-OH 3.01Å; I21-Y27 HydrophobicContact CG1-CD1 4.49Å; I21-Y27 HydrophobicContact CG1-CE1 4.06Å; I21-Y27 HydrophobicContact CG1-CE2 4.48Å; I21-Y27 HydrophobicContact CG2-CE2 3.93Å; R22-Y27 PolarHBondContact N-OH 2.95Å; Y27-I41 HydrophobicContact CD2-CG2 4.43Å; Y27-I41 HydrophobicContact CG-CG2 4.25Å; Y27-L45 HydrophobicContact CD2-CD2 3.68Å; Y27-L45 HydrophobicContact CE2-CD2 3.63Å; Y27-R50 PolarHBondContact N-O 3.46Å; Y27-L51 WeakPolarHBondContact O-CA 3.35Å; Y27-L52 PolarHBondContact O-N 2.49Å; Y27-D96 HydrophobicContact CD1-CB 4.49Å; Y27-D96 HydrophobicContact CE1-CB 3.84Å; Y27-D96 HydrophobicContact CE2-CB 4.28Å; Y27-G97 CarbonylContact C-O 3.57Å; Y27-G97 WeakPolarHBondContact CA-O 3.48Å
28	I	98.8	Very high	97.2	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127	171.5	-62.4	177.9	0	0	0	109.1	L52 I54 V86 I95 G97 I98 L99 V229	I28-L52 WeakPolarHBondContact CA-O 3.44Å; I28-L52 HydrophobicContact CG1-CB 4.27Å; I28-L52 HydrophobicContact CG1-CD2 4.47Å; I28-I54 HydrophobicContact CG2-CD1 3.99Å; I28-V86 HydrophobicContact CD1-CG2 3.55Å; I28-I95 HydrophobicContact CD1-CD1 4.09Å; I28-I95 HydrophobicContact CD1-CG1 3.92Å; I28-I95 HydrophobicContact CD1-CG2 3.98Å; I28-I95 HydrophobicContact CG1-CD1 4.29Å; I28-I95 HydrophobicContact CG1-CG1 4.47Å; I28-I95 HydrophobicContact CG1-CG2 3.94Å; I28-G97 PolarHBondContact N-O 3.07Å; I28-I98 HydrophobicContact CB-CG1 4.16Å; I28-I98 HydrophobicContact CB-CG2 4.46Å; I28-I98 HydrophobicContact CD1-CG1 4.34Å; I28-I98 HydrophobicContact CG2-CG2 4.45Å; I28-I98 CarbonylContact O-C 3.53Å; I28-I98 WeakPolarHBondContact O-CA 3.19Å; I28-L99 PolarHBondContact O-N 3.25Å; I28-V229 HydrophobicContact CD1-CG1 4.12Å
29	D	98.7	Very high	97.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	99.4	161.4	-179.2	-8	0	0	0	107.1	T31 S38 L51 L52 A53 I54	D29-T31 PolarHBondContact O-N 3.32Å; D29-T31 PolarHBondContact OD1-N 3.42Å; D29-S38 WeakPolarHBondContact CB-OG 3.37Å; D29-S38 WeakPolarHBondContact OD2-CB 3.07Å; D29-S38 PolarHBondContact OD2-N 3.02Å; D29-S38 PolarHBondContact OD2-OG 2.76Å; D29-L51 HydrophobicContact CB-CD1 4.13Å; D29-L52 PolarHBondContact N-O 3.29Å; D29-L52 VanDerWaalsContact N-O 3.1Å; D29-A53 HydrophobicContact CB-CB 4.45Å; D29-A53 CarbonylContact O-C 3.59Å; D29-A53 VanDerWaalsContact O-CA 3.24Å; D29-A53 WeakPolarHBondContact O-CA 3.35Å; D29-I54 PolarHBondContact O-N 3.46Å
30	G	98.2	Very high	97.2	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.01	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77	-4.9	-173.1	0	0	0	0	0	114	I54 F79 L99	G30-I54 CarbonylContact C-O 3.45Å; G30-I54 VanDerWaalsContact C-O 3.25Å; G30-I54 VanDerWaalsContact O-O 3.14Å; G30-F79 WeakPolarHBondContact O-CB 3.21Å; G30-L99 PolarHBondContact N-O 3.44Å
31	T	97.2	Very high	97.3	Very high	23 Å²	23	29.6 Å²	29.6	14%	0.141	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-143.9	62.8	-174.4	52	0	0	0	0	109.3	D29 G33 I54 F79 D101	D29-T31 PolarHBondContact O-N 3.32Å; D29-T31 PolarHBondContact OD1-N 3.42Å; T31-G33 VanDerWaalsContact C-N 3.27Å; T31-G33 PolarHBondContact O-N 2.91Å; T31-G33 VanDerWaalsContact O-N 3.11Å; T31-I54 PolarHBondContact N-O 3.32Å; T31-F79 HydrophobicContact CG2-CD1 3.89Å; T31-F79 HydrophobicContact CG2-CE1 4.23Å; T31-F79 HydrophobicContact CG2-CG 4.49Å; T31-D101 WeakPolarHBondContact CB-O 3.22Å; T31-D101 WeakPolarHBondContact CG2-O 3.24Å; T31-D101 WeakPolarHBondContact OG1-CA 3.3Å; T31-D101 WeakPolarHBondContact OG1-CB 2.84Å; T31-D101 PolarHBondContact OG1-N 3.4Å; T31-D101 PolarHBondContact OG1-O 2.84Å
32	F	97.5	Very high	97.3	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.018	14%	0.143	C	C	.	.			trans	-46.9	-47.7	-170.6	176.6	-97.9	0	0	0	113.6	R34 G35 S38 A53 I54 D55 A60 V63 A64 I67 F72 I74	F32-R34 PolarHBondContact O-N 2.78Å; F32-G35 VanDerWaalsContact CE2-CA 3.4Å; F32-G35 PolarHBondContact O-N 2.87Å; F32-S38 WeakPolarHBondContact CD2-OG 3.44Å; F32-A53 HydrophobicContact CB-CB 4.22Å; F32-A53 HydrophobicContact CD2-CB 3.82Å; F32-A53 HydrophobicContact CG-CB 4.39Å; F32-I54 PolarHBondContact N-O 2.98Å; F32-D55 HydrophobicContact CB-CB 4.05Å; F32-D55 PolarHBondContact N-OD2 2.72Å; F32-A60 HydrophobicContact CD1-CB 4.22Å; F32-A60 WeakPolarHBondContact CE1-O 3.46Å; F32-V63 HydrophobicContact CE1-CB 4.19Å; F32-V63 HydrophobicContact CE1-CG1 4.01Å; F32-V63 HydrophobicContact CZ-CG1 4.36Å; F32-A64 HydrophobicContact CD1-CB 3.96Å; F32-A64 HydrophobicContact CD2-CB 4.37Å; F32-A64 HydrophobicContact CE1-CB 3.59Å; F32-A64 HydrophobicContact CE2-CB 4.03Å; F32-A64 HydrophobicContact CG-CB 4.35Å; F32-A64 VanDerWaalsContact CZ-CA 3.44Å; F32-A64 HydrophobicContact CZ-CB 3.63Å; F32-I67 HydrophobicContact CE2-CD1 3.59Å; F32-I67 HydrophobicContact CZ-CD1 3.69Å; F32-F72 HydrophobicContact CD2-CE2 4.27Å; F32-F72 HydrophobicContact CD2-CZ 4.01Å; F32-F72 HydrophobicContact CE2-CE2 4.07Å; F32-F72 AromaticContact CE2-CZ 3.67Å; F32-F72 HydrophobicContact CE2-CZ 3.67Å; F32-F72 HydrophobicContact CZ-CZ 4.5Å; F32-I74 HydrophobicContact CB-CD1 4.12Å; F32-I74 HydrophobicContact CD2-CD1 4.49Å; F32-I74 HydrophobicContact CG-CD1 4.21Å
33	G	93.9	Very high	97.3	Very high	10 Å²	10	27.3 Å²	27.3	10%	0.103	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	-88.7	179.4	0	0	0	0	0	113.3	T31 D55 A60	T31-G33 VanDerWaalsContact C-N 3.27Å; T31-G33 PolarHBondContact O-N 2.91Å; T31-G33 VanDerWaalsContact O-N 3.11Å; G33-D55 WeakPolarHBondContact CA-OD2 3.39Å; G33-D55 PolarHBondContact N-OD2 2.96Å; G33-A60 VanDerWaalsContact O-CB 3.3Å; G33-A60 WeakPolarHBondContact O-CB 3.41Å
34	R	92.6	Very high	97.3	Very high	71 Å²	71	26.8 Å²	26.8	27%	0.268	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124	5.9	175.4	-68.1	-63.1	-179.7	-84	4.6	113.6	F32 R39 P107	F32-R34 PolarHBondContact O-N 2.78Å; R34-R39 PolarHBondContact O-NH1 2.92Å; R34-P107 HydrophobicContact CG-CG 3.88Å; R34-P107 VanDerWaalsContact CZ-CG 3.41Å
35	G	94.5	Very high	97.3	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	75.7	27.6	176.6	0	0	0	0	0	114	F32 R39	F32-G35 VanDerWaalsContact CE2-CA 3.4Å; F32-G35 PolarHBondContact O-N 2.87Å; G35-R39 VanDerWaalsContact C-NH1 3.32Å; G35-R39 WeakPolarHBondContact O-CB 3.16Å; G35-R39 WeakPolarHBondContact O-CG 3.35Å; G35-R39 PolarHBondContact O-N 3.47Å; G35-R39 PolarHBondContact O-NH1 3.06Å
36	G	94.6	Very high	97.3	Very high	20 Å²	20	24 Å²	24	21%	0.206	13%	0.132	C	C	.	.	H	α-helix	trans	-61.1	-62.2	175.4	0	0	0	0	0	110.7	R39 L40	G36-R39 PolarHBondContact O-N 2.82Å; G36-L40 PolarHBondContact O-N 3.24Å
37	H	96.8	Very high	97.2	Very high	5 Å²	5	32 Å²	32	2%	0.023	17%	0.169	C	C	.	.	H	α-helix	trans	-61.9	-46.6	174.9	-54.4	100.5	0	0	0	111.8	T9 V10 L12 V16 R39 L40 I41 L99 D101	T9-H37 WeakPolarHBondContact CG2-CE1 3.46Å; T9-H37 WeakPolarHBondContact CG2-ND1 3.35Å; T9-H37 VanDerWaalsContact CG2-NE2 3.34Å; T9-H37 WeakPolarHBondContact CG2-NE2 3.44Å; V10-H37 PolarHBondContact O-NE2 2.92Å; L12-H37 HydrophobicContact CD1-CB 4.42Å; V16-H37 HydrophobicContact CG2-CB 4.16Å; H37-R39 VanDerWaalsContact C-N 3.33Å; H37-R39 PolarHBondContact O-N 2.64Å; H37-L40 PolarHBondContact O-N 3.29Å; H37-L40 VanDerWaalsContact O-N 3.08Å; H37-I41 VanDerWaalsContact O-CG1 3.31Å; H37-I41 WeakPolarHBondContact O-CG1 3.46Å; H37-I41 PolarHBondContact O-N 3.19Å; H37-L99 HydrophobicContact CB-CD1 3.93Å; H37-L99 HydrophobicContact CB-CD2 4.12Å; H37-D101 IonicContact CE1-OD2 3.81Å; H37-D101 PolarHBondContact CE1-OD2 2.86Å
38	S	98	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-50.9	-46	176.9	-76.9	0	0	0	0	114	D29 F32 I41 L42 L51	D29-S38 WeakPolarHBondContact CB-OG 3.37Å; D29-S38 WeakPolarHBondContact OD2-CB 3.07Å; D29-S38 PolarHBondContact OD2-N 3.02Å; D29-S38 PolarHBondContact OD2-OG 2.76Å; F32-S38 WeakPolarHBondContact CD2-OG 3.44Å; S38-I41 PolarHBondContact O-N 3.13Å; S38-L42 WeakPolarHBondContact O-CB 3.47Å; S38-L42 WeakPolarHBondContact O-CG 3.49Å; S38-L42 PolarHBondContact O-N 2.81Å; S38-L51 WeakPolarHBondContact O-CD2 3.42Å
39	R	97.4	Very high	97.1	Very high	115 Å²	115	39 Å²	39	43%	0.434	20%	0.202	S	C	.	.	H	α-helix	trans	-67.2	-39.3	178.7	-75.3	-176.7	-165.5	88	0.2	112.2	R34 G35 G36 H37 L42 S43	R34-R39 PolarHBondContact O-NH1 2.92Å; G35-R39 VanDerWaalsContact C-NH1 3.32Å; G35-R39 WeakPolarHBondContact O-CB 3.16Å; G35-R39 WeakPolarHBondContact O-CG 3.35Å; G35-R39 PolarHBondContact O-N 3.47Å; G35-R39 PolarHBondContact O-NH1 3.06Å; G36-R39 PolarHBondContact O-N 2.82Å; H37-R39 VanDerWaalsContact C-N 3.33Å; H37-R39 PolarHBondContact O-N 2.64Å; R39-L42 PolarHBondContact O-N 2.84Å; R39-S43 PolarHBondContact O-N 2.8Å
40	L	97.7	Very high	97.1	Very high	35 Å²	35	44.8 Å²	44.8	18%	0.183	22%	0.224	C	C	.	.	H	α-helix	trans	-66.7	-39.8	176.5	-175.8	58.3	0	0	0	111.1	L12 V16 G36 H37 S43	L12-L40 HydrophobicContact CD1-CB 4.18Å; L12-L40 HydrophobicContact CD1-CD2 3.91Å; L12-L40 HydrophobicContact CD2-CD2 4.35Å; L12-L40 HydrophobicContact CG-CD2 3.73Å; V16-L40 HydrophobicContact CB-CD2 3.84Å; V16-L40 HydrophobicContact CB-CG 4.19Å; V16-L40 HydrophobicContact CG1-CD2 4.14Å; V16-L40 HydrophobicContact CG1-CG 3.95Å; V16-L40 HydrophobicContact CG2-CB 4.21Å; V16-L40 HydrophobicContact CG2-CD2 3.87Å; V16-L40 HydrophobicContact CG2-CG 4.16Å; G36-L40 PolarHBondContact O-N 3.24Å; H37-L40 PolarHBondContact O-N 3.29Å; H37-L40 VanDerWaalsContact O-N 3.08Å; L40-S43 PolarHBondContact O-N 3.46Å; L40-S43 PolarHBondContact O-OG 2.96Å
41	I	98.5	Very high	97.1	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-59.5	-52.8	172.4	-64.6	164.2	0	0	0	110.4	V16 L19 I21 Y27 H37 S38 S43 Q44 L45 L51	V16-I41 HydrophobicContact CG1-CG1 3.98Å; V16-I41 HydrophobicContact CG2-CG1 4.01Å; L19-I41 HydrophobicContact CD1-CD1 3.82Å; L19-I41 HydrophobicContact CD1-CG1 4.04Å; I21-I41 HydrophobicContact CD1-CB 4.07Å; I21-I41 HydrophobicContact CD1-CG1 3.97Å; I21-I41 HydrophobicContact CD1-CG2 3.92Å; Y27-I41 HydrophobicContact CD2-CG2 4.43Å; Y27-I41 HydrophobicContact CG-CG2 4.25Å; H37-I41 VanDerWaalsContact O-CG1 3.31Å; H37-I41 WeakPolarHBondContact O-CG1 3.46Å; H37-I41 PolarHBondContact O-N 3.19Å; S38-I41 PolarHBondContact O-N 3.13Å; I41-S43 PolarHBondContact O-N 3.11Å; I41-Q44 PolarHBondContact O-N 3.03Å; I41-L45 HydrophobicContact CG2-CD1 4.18Å; I41-L45 HydrophobicContact CG2-CG 4.43Å; I41-L45 PolarHBondContact O-N 3.09Å; I41-L51 HydrophobicContact CB-CD2 4.28Å; I41-L51 HydrophobicContact CD1-CD1 4.34Å; I41-L51 HydrophobicContact CG2-CD1 4.12Å; I41-L51 HydrophobicContact CG2-CD2 4.23Å
42	L	98.3	Very high	97.2	Very high	10 Å²	10	44 Å²	44	5%	0.052	22%	0.219	C	C	.	.	H	α-helix	trans	-57.7	-34.3	179.9	-75.2	167.1	0	0	0	113.2	S38 R39 Q44 L45 L51 I67 R71 F72	S38-L42 WeakPolarHBondContact O-CB 3.47Å; S38-L42 WeakPolarHBondContact O-CG 3.49Å; S38-L42 PolarHBondContact O-N 2.81Å; R39-L42 PolarHBondContact O-N 2.84Å; L42-Q44 PolarHBondContact O-N 3.35Å; L42-L45 HydrophobicContact CD2-CD1 4.33Å; L42-L45 PolarHBondContact O-N 3.04Å; L42-L51 HydrophobicContact CD1-CD2 4.18Å; L42-L51 HydrophobicContact CD2-CB 3.94Å; L42-L51 HydrophobicContact CD2-CD2 4.21Å; L42-L51 HydrophobicContact CG-CB 4.41Å; L42-L51 HydrophobicContact CG-CD2 3.75Å; L42-I67 HydrophobicContact CD1-CG2 4.02Å; L42-R71 HydrophobicContact CD2-CB 4.3Å; L42-R71 PolarHBondContact O-NH1 3.33Å; L42-R71 PolarHBondContact O-NH2 3.48Å; L42-F72 HydrophobicContact CD1-CB 4.15Å; L42-F72 HydrophobicContact CD1-CD2 3.98Å; L42-F72 HydrophobicContact CD1-CG 4.28Å; L42-F72 HydrophobicContact CD2-CB 4.16Å
43	S	97.8	Very high	97.2	Very high	86 Å²	86	43.8 Å²	43.8	60%	0.601	22%	0.218	S	C	*	.	H	α-helix	trans	-66.7	-19.8	177	75.2	0	0	0	0	114.1	R39 L40 I41	R39-S43 PolarHBondContact O-N 2.8Å; L40-S43 PolarHBondContact O-N 3.46Å; L40-S43 PolarHBondContact O-OG 2.96Å; I41-S43 PolarHBondContact O-N 3.11Å
44	Q	98.3	Very high	97.4	Very high	68 Å²	68	43.4 Å²	43.4	32%	0.318	21%	0.213	S	C	.	.	H	α-helix	trans	-100.9	-9.4	179.3	-63.3	-176.8	32.5	0	0	113	I21 I41 L42	I21-Q44 HydrophobicContact CB-CB 4.26Å; I21-Q44 HydrophobicContact CD1-CB 4.09Å; I21-Q44 HydrophobicContact CG2-CB 3.83Å; I41-Q44 PolarHBondContact O-N 3.03Å; L42-Q44 PolarHBondContact O-N 3.35Å
45	L	98.3	Very high	97.7	Very high	15 Å²	15	40.9 Å²	40.9	8%	0.079	21%	0.205	C	C	.	.			trans	-80.6	149.2	176.1	-66.8	178.4	0	0	0	111.3	I21 R22 Y27 I41 L42 L51 R71	I21-L45 HydrophobicContact CG2-CD2 3.81Å; R22-L45 WeakPolarHBondContact O-CD2 3.35Å; Y27-L45 HydrophobicContact CD2-CD2 3.68Å; Y27-L45 HydrophobicContact CE2-CD2 3.63Å; I41-L45 HydrophobicContact CG2-CD1 4.18Å; I41-L45 HydrophobicContact CG2-CG 4.43Å; I41-L45 PolarHBondContact O-N 3.09Å; L42-L45 HydrophobicContact CD2-CD1 4.33Å; L42-L45 PolarHBondContact O-N 3.04Å; L45-L51 HydrophobicContact CD1-CB 4.28Å; L45-R71 PolarHBondContact O-NH1 2.9Å
46	G	97.8	Very high	97.8	Very high	25 Å²	25	42.9 Å²	42.9	26%	0.258	21%	0.213	S	C	.	.			trans	-89.6	-170.1	165.9	0	0	0	0	0	111.5	P23 E48 G49 R71	P23-G46 PolarHBondContact O-N 3.15Å; G46-E48 VanDerWaalsContact C-N 3.33Å; G46-E48 PolarHBondContact O-N 3.12Å; G46-G49 PolarHBondContact O-N 2.73Å; G46-R71 WeakPolarHBondContact O-CD 3.1Å; G46-R71 PolarHBondContact O-NH1 3.14Å
47	E	97.2	Very high	98	Very high	181 Å²	181	42 Å²	42	85%	0.846	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-34.4	-176.8	-65	-178.5	170.6	0	0	113.2
48	E	97.2	Very high	98	Very high	150 Å²	150	43.6 Å²	43.6	70%	0.701	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-10.8	179	-60.9	-60	132.2	0	0	113.6	D24 G46	D24-E48 HydrophobicContact CB-CB 4.37Å; G46-E48 VanDerWaalsContact C-N 3.33Å; G46-E48 PolarHBondContact O-N 3.12Å
49	G	98.4	Very high	97.9	Very high	1 Å²	1	47 Å²	47	1%	0.01	23%	0.23	C	C	.	.			trans	-67.4	152.5	179.1	0	0	0	0	0	111.5	P23 G25 G46 R71	P23-G49 VanDerWaalsContact O-CA 3.22Å; P23-G49 WeakPolarHBondContact O-CA 3.4Å; P23-G49 PolarHBondContact O-N 3.38Å; G25-G49 WeakPolarHBondContact O-CA 3.39Å; G46-G49 PolarHBondContact O-N 2.73Å; G49-R71 WeakPolarHBondContact O-CB 3.24Å; G49-R71 WeakPolarHBondContact O-CG 3.35Å
50	R	98.6	Very high	97.8	Very high	121 Å²	121	41.6 Å²	41.6	46%	0.457	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	140.1	179.8	-69.2	-176.5	-74.5	177.2	-8.4	111.7	G25 I26 Y27	G25-R50 PolarHBondContact O-N 3.09Å; I26-R50 WeakPolarHBondContact CA-O 3.33Å; I26-R50 HydrophobicContact CG2-CB 4.17Å; Y27-R50 PolarHBondContact N-O 3.46Å
51	L	98.7	Very high	97.8	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.8	171.1	178.7	59.4	0	0	0	110.1	Y27 D29 S38 I41 L42 L45 R71 F72 S73	Y27-L51 WeakPolarHBondContact O-CA 3.35Å; D29-L51 HydrophobicContact CB-CD1 4.13Å; S38-L51 WeakPolarHBondContact O-CD2 3.42Å; I41-L51 HydrophobicContact CB-CD2 4.28Å; I41-L51 HydrophobicContact CD1-CD1 4.34Å; I41-L51 HydrophobicContact CG2-CD1 4.12Å; I41-L51 HydrophobicContact CG2-CD2 4.23Å; L42-L51 HydrophobicContact CD1-CD2 4.18Å; L42-L51 HydrophobicContact CD2-CB 3.94Å; L42-L51 HydrophobicContact CD2-CD2 4.21Å; L42-L51 HydrophobicContact CG-CB 4.41Å; L42-L51 HydrophobicContact CG-CD2 3.75Å; L45-L51 HydrophobicContact CD1-CB 4.28Å; L51-R71 PolarHBondContact N-O 2.88Å; L51-F72 HydrophobicContact CB-CD2 4.36Å; L51-F72 HydrophobicContact CD2-CD2 3.92Å; L51-F72 HydrophobicContact CD2-CE2 4.18Å; L51-F72 HydrophobicContact CG-CD2 4.09Å; L51-F72 HydrophobicContact CG-CE2 4.43Å; L51-F72 WeakPolarHBondContact O-CA 3.46Å; L51-S73 PolarHBondContact O-N 2.79Å
52	L	98.6	Very high	97.8	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	107	169.6	177.9	64.5	0	0	0	109.2	Y27 I28 D29 S73 I75	Y27-L52 PolarHBondContact O-N 2.49Å; I28-L52 WeakPolarHBondContact CA-O 3.44Å; I28-L52 HydrophobicContact CG1-CB 4.27Å; I28-L52 HydrophobicContact CG1-CD2 4.47Å; D29-L52 PolarHBondContact N-O 3.29Å; D29-L52 VanDerWaalsContact N-O 3.1Å; L52-S73 VanDerWaalsContact CD1-OG 3.24Å; L52-S73 WeakPolarHBondContact CD1-OG 3.39Å; L52-I75 HydrophobicContact CD1-CD1 3.74Å; L52-I75 HydrophobicContact CD1-CG1 3.87Å; L52-I75 HydrophobicContact CD2-CD1 4.14Å; L52-I75 HydrophobicContact CG-CD1 4.29Å
53	A	98.7	Very high	97.7	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	150.3	172.6	0	0	0	0	0	111.6	D29 F32 F72 S73 I74 I75	D29-A53 HydrophobicContact CB-CB 4.45Å; D29-A53 CarbonylContact O-C 3.59Å; D29-A53 VanDerWaalsContact O-CA 3.24Å; D29-A53 WeakPolarHBondContact O-CA 3.35Å; F32-A53 HydrophobicContact CB-CB 4.22Å; F32-A53 HydrophobicContact CD2-CB 3.82Å; F32-A53 HydrophobicContact CG-CB 4.39Å; A53-F72 HydrophobicContact CB-CE2 3.48Å; A53-F72 VanDerWaalsContact CB-CE2 3.48Å; A53-F72 HydrophobicContact CB-CZ 3.73Å; A53-S73 PolarHBondContact N-O 3.22Å; A53-I74 HydrophobicContact CB-CD1 3.53Å; A53-I74 CarbonylContact O-C 3.57Å; A53-I74 WeakPolarHBondContact O-CA 3.48Å; A53-I75 PolarHBondContact O-N 3Å
54	I	98.6	Very high	97.7	Very high	1 Å²	1	40.8 Å²	40.8	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	138.4	174.7	-54.8	162.7	0	0	0	107.9	I28 D29 G30 T31 F32 I75 G77 F79 L82 Y85	I28-I54 HydrophobicContact CG2-CD1 3.99Å; D29-I54 PolarHBondContact O-N 3.46Å; G30-I54 CarbonylContact C-O 3.45Å; G30-I54 VanDerWaalsContact C-O 3.25Å; G30-I54 VanDerWaalsContact O-O 3.14Å; T31-I54 PolarHBondContact N-O 3.32Å; F32-I54 PolarHBondContact N-O 2.98Å; I54-I75 HydrophobicContact CG1-CB 4.36Å; I54-G77 VanDerWaalsContact CG2-O 3.26Å; I54-G77 WeakPolarHBondContact CG2-O 3.41Å; I54-F79 HydrophobicContact CG2-CB 4.44Å; I54-L82 HydrophobicContact CD1-CB 3.88Å; I54-Y85 HydrophobicContact CD1-CD2 3.81Å; I54-Y85 HydrophobicContact CD1-CE2 4.36Å; I54-Y85 HydrophobicContact CG1-CD2 4.17Å; I54-Y85 HydrophobicContact CG2-CD2 4.47Å; I54-Y85 HydrophobicContact CG2-CE2 4.01Å
55	D	98.1	Very high	97.6	Very high	18 Å²	18	45.3 Å²	45.3	10%	0.096	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	147.7	165	-151.8	-60	0	0	0	110.3	F32 G33 D57 A60 I61 I75 H76 G77	F32-D55 HydrophobicContact CB-CB 4.05Å; F32-D55 PolarHBondContact N-OD2 2.72Å; G33-D55 WeakPolarHBondContact CA-OD2 3.39Å; G33-D55 PolarHBondContact N-OD2 2.96Å; D55-D57 WeakPolarHBondContact OD1-CB 3.2Å; D55-D57 PolarHBondContact OD1-N 2.89Å; D55-A60 HydrophobicContact CB-CB 3.86Å; D55-A60 WeakPolarHBondContact OD2-CB 3.45Å; D55-I61 HydrophobicContact CB-CD1 4.1Å; D55-I75 PolarHBondContact N-O 3.45Å; D55-I75 VanDerWaalsContact N-O 3.07Å; D55-H76 CarbonylContact O-C 3.58Å; D55-H76 WeakPolarHBondContact O-CA 3.26Å; D55-H76 PolarHBondContact O-CD2 3.09Å; D55-G77 CarbonylContact C-O 3.44Å; D55-G77 PolarHBondContact O-N 3.31Å
56	R	97.1	Very high	97.5	Very high	42 Å²	42	49.5 Å²	49.5	16%	0.158	25%	0.253	C	S	.	.	S	Bend	trans	-90.4	-18.4	175.1	64.4	-172.8	-68.1	-178.4	-4.8	112.5	P58 H76 G77 M128 D129 N213	R56-P58 WeakPolarHBondContact O-CD 3.43Å; R56-H76 PolarHBondContact O-CD2 3.42Å; R56-H76 PolarHBondContact O-NE2 3.48Å; R56-G77 WeakPolarHBondContact CA-O 3.08Å; R56-G77 PolarHBondContact N-O 3.37Å; R56-M128 HydrophobicContact CG-CB 3.78Å; R56-M128 HydrophobicContact CG-SD 4.42Å; R56-D129 VanDerWaalsContact O-CB 3.23Å; R56-D129 WeakPolarHBondContact O-CB 3.3Å; R56-N213 PolarHBondContact NH1-O 3.34Å
57	D	97.1	Very high	97.4	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.011	25%	0.248	C	C	.	.			trans	-81.5	117	-177.5	-170.2	-29	0	0	0	111.7	D55 Q59 A60 I61 Q108 R114 M128	D55-D57 WeakPolarHBondContact OD1-CB 3.2Å; D55-D57 PolarHBondContact OD1-N 2.89Å; D57-Q59 PolarHBondContact O-N 3.32Å; D57-Q59 VanDerWaalsContact O-N 3.1Å; D57-Q59 WeakPolarHBondContact OD1-CB 3.33Å; D57-Q59 PolarHBondContact OD1-N 2.8Å; D57-A60 HydrophobicContact CB-CB 4.01Å; D57-A60 WeakPolarHBondContact O-CA 3.29Å; D57-A60 WeakPolarHBondContact O-CB 3.38Å; D57-A60 PolarHBondContact O-N 2.82Å; D57-I61 WeakPolarHBondContact O-CG1 3.47Å; D57-I61 PolarHBondContact O-N 3.07Å; D57-I61 VanDerWaalsContact O-N 3.09Å; D57-Q108 WeakPolarHBondContact OD2-CG 3.29Å; D57-Q108 PolarHBondContact OD2-NE2 3.5Å; D57-R114 IonicContact OD1-CZ 3.58Å; D57-R114 IonicContact OD1-NH1 3.52Å; D57-R114 PolarHBondContact OD1-NH1 2.73Å; D57-R114 IonicContact OD1-NH2 2.95Å; D57-R114 IonicContact OD2-CZ 3.83Å; D57-R114 VanDerWaalsContact OD2-CZ 3.26Å; D57-R114 IonicContact OD2-NH1 3.72Å; D57-R114 PolarHBondContact OD2-NH1 3.34Å; D57-R114 IonicContact OD2-NH2 3.23Å; D57-R114 PolarHBondContact OD2-NH2 3.3Å; D57-M128 WeakPolarHBondContact CA-O 3.11Å; D57-M128 WeakPolarHBondContact CB-O 3.3Å
58	P	96.7	Very high	97.4	Very high	39 Å²	39	49 Å²	49	25%	0.253	25%	0.251	S	S	.	.	H	α-helix	trans	-55.3	-30.2	177.3	-24.7	34	0	0	0	114.2	R56 I61 A62 T131	R56-P58 WeakPolarHBondContact O-CD 3.43Å; P58-I61 PolarHBondContact O-N 3.43Å; P58-A62 PolarHBondContact O-N 2.82Å; P58-T131 HydrophobicContact CG-CG2 4.11Å
59	Q	96	Very high	97.4	Very high	72 Å²	72	43.4 Å²	43.4	34%	0.336	23%	0.225	S	C	.	.	H	α-helix	trans	-68.8	-38.2	175.4	-63.6	-174	-0.3	0	0	111.7	D57 I61 A62 V63	D57-Q59 PolarHBondContact O-N 3.32Å; D57-Q59 VanDerWaalsContact O-N 3.1Å; D57-Q59 WeakPolarHBondContact OD1-CB 3.33Å; D57-Q59 PolarHBondContact OD1-N 2.8Å; Q59-I61 VanDerWaalsContact C-N 3.32Å; Q59-A62 PolarHBondContact O-N 2.87Å; Q59-V63 WeakPolarHBondContact O-CG2 3.39Å; Q59-V63 PolarHBondContact O-N 2.95Å
60	A	96.4	Very high	97.4	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-65.1	-39.9	174.6	0	0	0	0	0	110.6	F32 G33 D55 D57 A62 V63 A64	F32-A60 HydrophobicContact CD1-CB 4.22Å; F32-A60 WeakPolarHBondContact CE1-O 3.46Å; G33-A60 VanDerWaalsContact O-CB 3.3Å; G33-A60 WeakPolarHBondContact O-CB 3.41Å; D55-A60 HydrophobicContact CB-CB 3.86Å; D55-A60 WeakPolarHBondContact OD2-CB 3.45Å; D57-A60 HydrophobicContact CB-CB 4.01Å; D57-A60 WeakPolarHBondContact O-CA 3.29Å; D57-A60 WeakPolarHBondContact O-CB 3.38Å; D57-A60 PolarHBondContact O-N 2.82Å; A60-A62 PolarHBondContact O-N 3.11Å; A60-V63 PolarHBondContact O-N 3.48Å; A60-A64 PolarHBondContact O-N 2.83Å
61	I	98	Very high	97.4	Very high	14 Å²	14	46.4 Å²	46.4	7%	0.072	25%	0.254	C	S	.	.	H	α-helix	trans	-61.9	-42.4	174.6	-57.5	-58.8	0	0	0	112.1	D55 D57 P58 Q59 V63 A64 K65 I74 H76	D55-I61 HydrophobicContact CB-CD1 4.1Å; D57-I61 WeakPolarHBondContact O-CG1 3.47Å; D57-I61 PolarHBondContact O-N 3.07Å; D57-I61 VanDerWaalsContact O-N 3.09Å; P58-I61 PolarHBondContact O-N 3.43Å; Q59-I61 VanDerWaalsContact C-N 3.32Å; I61-V63 VanDerWaalsContact C-N 3.29Å; I61-V63 PolarHBondContact O-N 2.89Å; I61-A64 PolarHBondContact O-N 3.1Å; I61-K65 HydrophobicContact CG2-CD 4.48Å; I61-K65 WeakPolarHBondContact O-CG 3.39Å; I61-K65 PolarHBondContact O-N 2.87Å; I61-I74 HydrophobicContact CD1-CD1 3.86Å; I61-I74 HydrophobicContact CD1-CG1 3.46Å; I61-I74 VanDerWaalsContact CD1-CG1 3.46Å; I61-H76 HydrophobicContact CD1-CB 3.83Å; I61-H76 HydrophobicContact CG1-CB 3.77Å; I61-H76 HydrophobicContact CG2-CB 4.46Å
62	A	97.3	Very high	97.4	Very high	59 Å²	59	47.4 Å²	47.4	49%	0.488	26%	0.258	S	S	.	.	H	α-helix	trans	-61	-38.8	175.8	0	0	0	0	0	112	P58 Q59 A60	P58-A62 PolarHBondContact O-N 2.82Å; Q59-A62 PolarHBondContact O-N 2.87Å; A60-A62 PolarHBondContact O-N 3.11Å
63	V	96.5	Very high	97.3	Very high	40 Å²	40	49.6 Å²	49.6	24%	0.242	27%	0.274	C	S	.	.	H	α-helix	trans	-69.7	-41.6	174.7	175.1	0	0	0	0	111.5	F32 Q59 A60 I61 K65 T66	F32-V63 HydrophobicContact CE1-CB 4.19Å; F32-V63 HydrophobicContact CE1-CG1 4.01Å; F32-V63 HydrophobicContact CZ-CG1 4.36Å; Q59-V63 WeakPolarHBondContact O-CG2 3.39Å; Q59-V63 PolarHBondContact O-N 2.95Å; A60-V63 PolarHBondContact O-N 3.48Å; I61-V63 VanDerWaalsContact C-N 3.29Å; I61-V63 PolarHBondContact O-N 2.89Å; V63-K65 VanDerWaalsContact C-N 3.26Å; V63-K65 PolarHBondContact O-N 2.84Å; V63-T66 PolarHBondContact O-N 2.78Å; V63-T66 VanDerWaalsContact O-N 3.11Å; V63-T66 PolarHBondContact O-OG1 3.47Å
64	A	97.4	Very high	97.3	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-60.4	-37.3	178	0	0	0	0	0	112.2	F32 A60 I61 T66 I67 F72 I74	F32-A64 HydrophobicContact CD1-CB 3.96Å; F32-A64 HydrophobicContact CD2-CB 4.37Å; F32-A64 HydrophobicContact CE1-CB 3.59Å; F32-A64 HydrophobicContact CE2-CB 4.03Å; F32-A64 HydrophobicContact CG-CB 4.35Å; F32-A64 VanDerWaalsContact CZ-CA 3.44Å; F32-A64 HydrophobicContact CZ-CB 3.63Å; A60-A64 PolarHBondContact O-N 2.83Å; I61-A64 PolarHBondContact O-N 3.1Å; A64-T66 PolarHBondContact O-N 3.2Å; A64-T66 VanDerWaalsContact O-N 3.11Å; A64-I67 WeakPolarHBondContact O-CB 3.29Å; A64-I67 PolarHBondContact O-N 2.64Å; A64-F72 HydrophobicContact CB-CE1 4.06Å; A64-F72 HydrophobicContact CB-CZ 4Å; A64-F72 WeakPolarHBondContact O-CE1 3.34Å; A64-I74 HydrophobicContact CB-CB 3.84Å; A64-I74 HydrophobicContact CB-CD1 3.77Å; A64-I74 HydrophobicContact CB-CG1 3.54Å; A64-I74 HydrophobicContact CB-CG2 4.02Å
65	K	96.4	Very high	97.3	Very high	163 Å²	163	52.3 Å²	52.3	71%	0.709	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-10.4	177.2	-75.2	178.6	176.7	-178.7	0	114.5	I61 V63	I61-K65 HydrophobicContact CG2-CD 4.48Å; I61-K65 WeakPolarHBondContact O-CG 3.39Å; I61-K65 PolarHBondContact O-N 2.87Å; V63-K65 VanDerWaalsContact C-N 3.26Å; V63-K65 PolarHBondContact O-N 2.84Å
66	T	96.6	Very high	97.3	Very high	103 Å²	103	55 Å²	55	63%	0.632	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-7.6	173.2	76.2	0	0	0	0	113.1	V63 A64 D68	V63-T66 PolarHBondContact O-N 2.78Å; V63-T66 VanDerWaalsContact O-N 3.11Å; V63-T66 PolarHBondContact O-OG1 3.47Å; A64-T66 PolarHBondContact O-N 3.2Å; A64-T66 VanDerWaalsContact O-N 3.11Å; T66-D68 PolarHBondContact O-N 3.35Å
67	I	96.7	Very high	97.3	Very high	30 Å²	30	53 Å²	53	15%	0.154	29%	0.292	C	S	.	.			trans	-78.7	108.6	172.9	-60.5	178.9	0	0	0	108	F32 L42 A64 D69 F72	F32-I67 HydrophobicContact CE2-CD1 3.59Å; F32-I67 HydrophobicContact CZ-CD1 3.69Å; L42-I67 HydrophobicContact CD1-CG2 4.02Å; A64-I67 WeakPolarHBondContact O-CB 3.29Å; A64-I67 PolarHBondContact O-N 2.64Å; I67-D69 HydrophobicContact CG2-CB 4.04Å; I67-D69 PolarHBondContact O-N 3.28Å; I67-F72 HydrophobicContact CB-CD1 3.85Å; I67-F72 HydrophobicContact CB-CE1 4Å; I67-F72 HydrophobicContact CB-CG 4.46Å; I67-F72 HydrophobicContact CD1-CD1 4.46Å; I67-F72 HydrophobicContact CD1-CE1 4.05Å; I67-F72 HydrophobicContact CD1-CE2 4.23Å; I67-F72 HydrophobicContact CD1-CZ 3.92Å; I67-F72 HydrophobicContact CG1-CE1 4.49Å; I67-F72 HydrophobicContact CG2-CB 4.13Å; I67-F72 HydrophobicContact CG2-CD1 3.78Å; I67-F72 HydrophobicContact CG2-CE1 4.34Å; I67-F72 HydrophobicContact CG2-CG 3.92Å
68	D	96.1	Very high	97.3	Very high	167 Å²	167	54.4 Å²	54.4	89%	0.893	30%	0.302	S	S	*	.			trans	-95.3	81.1	174.2	-171.2	26	0	0	0	109.5	T66	T66-D68 PolarHBondContact O-N 3.35Å
69	D	98	Very high	97.4	Very high	32 Å²	32	53.8 Å²	53.8	17%	0.171	30%	0.295	C	S	.	.			trans	-140.3	120.9	176.6	-170.5	-43.2	0	0	0	108.7	I67 R71 F72	I67-D69 HydrophobicContact CG2-CB 4.04Å; I67-D69 PolarHBondContact O-N 3.28Å; D69-R71 PolarHBondContact O-N 3.09Å; D69-R71 VanDerWaalsContact O-N 3.07Å; D69-R71 WeakPolarHBondContact OD1-CB 3.21Å; D69-R71 WeakPolarHBondContact OD1-CG 3.27Å; D69-R71 IonicContact OD1-CZ 3.92Å; D69-R71 PolarHBondContact OD1-N 3.3Å; D69-R71 IonicContact OD1-NE 3.74Å; D69-R71 PolarHBondContact OD1-NE 3.44Å; D69-R71 IonicContact OD1-NH2 2.64Å; D69-R71 IonicContact OD2-CZ 3.4Å; D69-R71 IonicContact OD2-NE 3.57Å; D69-R71 PolarHBondContact OD2-NE 3.29Å; D69-R71 IonicContact OD2-NH2 3.65Å; D69-R71 PolarHBondContact OD2-NH2 3.07Å; D69-F72 HydrophobicContact CB-CB 4.06Å; D69-F72 WeakPolarHBondContact O-CB 3.5Å; D69-F72 PolarHBondContact O-N 3.34Å
70	P	97.4	Very high	97.5	Very high	136 Å²	136	50.9 Å²	50.9	88%	0.883	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-16.7	-176.4	26.6	-35.5	0	0	0	113.7	F72	P70-F72 VanDerWaalsContact C-N 3.34Å
71	R	98.1	Very high	97.5	Very high	48 Å²	48	51.4 Å²	51.4	18%	0.181	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-16.1	177.8	-56.9	171.3	-63.1	167.9	7.2	112.3	L42 L45 G46 G49 L51 D69	L42-R71 HydrophobicContact CD2-CB 4.3Å; L42-R71 PolarHBondContact O-NH1 3.33Å; L42-R71 PolarHBondContact O-NH2 3.48Å; L45-R71 PolarHBondContact O-NH1 2.9Å; G46-R71 WeakPolarHBondContact O-CD 3.1Å; G46-R71 PolarHBondContact O-NH1 3.14Å; G49-R71 WeakPolarHBondContact O-CB 3.24Å; G49-R71 WeakPolarHBondContact O-CG 3.35Å; L51-R71 PolarHBondContact N-O 2.88Å; D69-R71 PolarHBondContact O-N 3.09Å; D69-R71 VanDerWaalsContact O-N 3.07Å; D69-R71 WeakPolarHBondContact OD1-CB 3.21Å; D69-R71 WeakPolarHBondContact OD1-CG 3.27Å; D69-R71 IonicContact OD1-CZ 3.92Å; D69-R71 PolarHBondContact OD1-N 3.3Å; D69-R71 IonicContact OD1-NE 3.74Å; D69-R71 PolarHBondContact OD1-NE 3.44Å; D69-R71 IonicContact OD1-NH2 2.64Å; D69-R71 IonicContact OD2-CZ 3.4Å; D69-R71 IonicContact OD2-NE 3.57Å; D69-R71 PolarHBondContact OD2-NE 3.29Å; D69-R71 IonicContact OD2-NH2 3.65Å; D69-R71 PolarHBondContact OD2-NH2 3.07Å
72	F	98.7	Very high	97.5	Very high	23 Å²	23	50.7 Å²	50.7	10%	0.101	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	137.6	-176.3	-179	-104.9	0	0	0	111.3	F32 L42 L51 A53 A64 I67 D69 P70 I74	F32-F72 HydrophobicContact CD2-CE2 4.27Å; F32-F72 HydrophobicContact CD2-CZ 4.01Å; F32-F72 HydrophobicContact CE2-CE2 4.07Å; F32-F72 AromaticContact CE2-CZ 3.67Å; F32-F72 HydrophobicContact CE2-CZ 3.67Å; F32-F72 HydrophobicContact CZ-CZ 4.5Å; L42-F72 HydrophobicContact CD1-CB 4.15Å; L42-F72 HydrophobicContact CD1-CD2 3.98Å; L42-F72 HydrophobicContact CD1-CG 4.28Å; L42-F72 HydrophobicContact CD2-CB 4.16Å; L51-F72 HydrophobicContact CB-CD2 4.36Å; L51-F72 HydrophobicContact CD2-CD2 3.92Å; L51-F72 HydrophobicContact CD2-CE2 4.18Å; L51-F72 HydrophobicContact CG-CD2 4.09Å; L51-F72 HydrophobicContact CG-CE2 4.43Å; L51-F72 WeakPolarHBondContact O-CA 3.46Å; A53-F72 HydrophobicContact CB-CE2 3.48Å; A53-F72 VanDerWaalsContact CB-CE2 3.48Å; A53-F72 HydrophobicContact CB-CZ 3.73Å; A64-F72 HydrophobicContact CB-CE1 4.06Å; A64-F72 HydrophobicContact CB-CZ 4Å; A64-F72 WeakPolarHBondContact O-CE1 3.34Å; I67-F72 HydrophobicContact CB-CD1 3.85Å; I67-F72 HydrophobicContact CB-CE1 4Å; I67-F72 HydrophobicContact CB-CG 4.46Å; I67-F72 HydrophobicContact CD1-CD1 4.46Å; I67-F72 HydrophobicContact CD1-CE1 4.05Å; I67-F72 HydrophobicContact CD1-CE2 4.23Å; I67-F72 HydrophobicContact CD1-CZ 3.92Å; I67-F72 HydrophobicContact CG1-CE1 4.49Å; I67-F72 HydrophobicContact CG2-CB 4.13Å; I67-F72 HydrophobicContact CG2-CD1 3.78Å; I67-F72 HydrophobicContact CG2-CE1 4.34Å; I67-F72 HydrophobicContact CG2-CG 3.92Å; D69-F72 HydrophobicContact CB-CB 4.06Å; D69-F72 WeakPolarHBondContact O-CB 3.5Å; D69-F72 PolarHBondContact O-N 3.34Å; P70-F72 VanDerWaalsContact C-N 3.34Å; F72-I74 HydrophobicContact CE1-CB 4.08Å; F72-I74 HydrophobicContact CE1-CG2 4.46Å; F72-I74 HydrophobicContact CZ-CB 4.14Å
73	S	98.3	Very high	97.6	Very high	51 Å²	51	48.6 Å²	48.6	36%	0.357	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	151.4	168.1	57.8	0	0	0	0	109.9	L51 L52 A53	L51-S73 PolarHBondContact O-N 2.79Å; L52-S73 VanDerWaalsContact CD1-OG 3.24Å; L52-S73 WeakPolarHBondContact CD1-OG 3.39Å; A53-S73 PolarHBondContact N-O 3.22Å
74	I	98.5	Very high	97.7	Very high	40 Å²	40	52.8 Å²	52.8	21%	0.205	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.5	-178.7	-177.2	71.6	0	0	0	110.4	F32 A53 I61 A64 F72	F32-I74 HydrophobicContact CB-CD1 4.12Å; F32-I74 HydrophobicContact CD2-CD1 4.49Å; F32-I74 HydrophobicContact CG-CD1 4.21Å; A53-I74 HydrophobicContact CB-CD1 3.53Å; A53-I74 CarbonylContact O-C 3.57Å; A53-I74 WeakPolarHBondContact O-CA 3.48Å; I61-I74 HydrophobicContact CD1-CD1 3.86Å; I61-I74 HydrophobicContact CD1-CG1 3.46Å; I61-I74 VanDerWaalsContact CD1-CG1 3.46Å; A64-I74 HydrophobicContact CB-CB 3.84Å; A64-I74 HydrophobicContact CB-CD1 3.77Å; A64-I74 HydrophobicContact CB-CG1 3.54Å; A64-I74 HydrophobicContact CB-CG2 4.02Å; F72-I74 HydrophobicContact CE1-CB 4.08Å; F72-I74 HydrophobicContact CE1-CG2 4.46Å; F72-I74 HydrophobicContact CZ-CB 4.14Å
75	I	98.2	Very high	97.7	Very high	18 Å²	18	54.2 Å²	54.2	9%	0.092	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	130.4	171	-61.7	175.7	0	0	0	109.4	L52 A53 I54 D55 G77 Y85	L52-I75 HydrophobicContact CD1-CD1 3.74Å; L52-I75 HydrophobicContact CD1-CG1 3.87Å; L52-I75 HydrophobicContact CD2-CD1 4.14Å; L52-I75 HydrophobicContact CG-CD1 4.29Å; A53-I75 PolarHBondContact O-N 3Å; I54-I75 HydrophobicContact CG1-CB 4.36Å; D55-I75 PolarHBondContact N-O 3.45Å; D55-I75 VanDerWaalsContact N-O 3.07Å; I75-G77 PolarHBondContact O-N 3.25Å; I75-Y85 HydrophobicContact CD1-CD1 4.1Å; I75-Y85 HydrophobicContact CD1-CD2 3.79Å; I75-Y85 HydrophobicContact CD1-CG 3.53Å; I75-Y85 HydrophobicContact CG2-CD1 4.22Å; I75-Y85 HydrophobicContact CG2-CD2 4.01Å; I75-Y85 HydrophobicContact CG2-CE1 3.98Å; I75-Y85 HydrophobicContact CG2-CE2 3.74Å; I75-Y85 HydrophobicContact CG2-CG 4.26Å
76	H	97.9	Very high	97.8	Very high	74 Å²	74	46.4 Å²	46.4	34%	0.343	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	100.7	168.7	-177.3	-158.2	0	0	0	110.2	D55 R56 I61 D129	D55-H76 CarbonylContact O-C 3.58Å; D55-H76 WeakPolarHBondContact O-CA 3.26Å; D55-H76 PolarHBondContact O-CD2 3.09Å; R56-H76 PolarHBondContact O-CD2 3.42Å; R56-H76 PolarHBondContact O-NE2 3.48Å; I61-H76 HydrophobicContact CD1-CB 3.83Å; I61-H76 HydrophobicContact CG1-CB 3.77Å; I61-H76 HydrophobicContact CG2-CB 4.46Å; H76-D129 IonicContact CE1-OD2 3.21Å; H76-D129 IonicContact NE2-OD2 3.92Å; H76-D129 PolarHBondContact NE2-OD2 3.38Å
77	G	97.4	Very high	97.8	Very high	1 Å²	1	43.7 Å²	43.7	1%	0.01	24%	0.244	C	C	.	.	S	Bend	trans	175.5	173.2	-179.9	0	0	0	0	0	114	I54 D55 R56 I75 Y85	I54-G77 VanDerWaalsContact CG2-O 3.26Å; I54-G77 WeakPolarHBondContact CG2-O 3.41Å; D55-G77 CarbonylContact C-O 3.44Å; D55-G77 PolarHBondContact O-N 3.31Å; R56-G77 WeakPolarHBondContact CA-O 3.08Å; R56-G77 PolarHBondContact N-O 3.37Å; I75-G77 PolarHBondContact O-N 3.25Å; G77-Y85 WeakPolarHBondContact CA-OH 3.48Å
78	P	97.1	Very high	97.9	Very high	31 Å²	31	48.7 Å²	48.7	20%	0.201	27%	0.266	C	S	.	.			trans	-66.7	143.7	175.7	27.6	-34.1	0	0	0	111.8	S80 A81 Y85 E218	P78-S80 WeakPolarHBondContact CB-OG 3.39Å; P78-S80 PolarHBondContact O-N 2.97Å; P78-A81 HydrophobicContact CG-CB 4.17Å; P78-A81 PolarHBondContact O-N 2.98Å; P78-Y85 WeakPolarHBondContact CD-OH 3.28Å; P78-Y85 WeakPolarHBondContact O-CE2 3.29Å; P78-E218 WeakPolarHBondContact CB-OE2 3.37Å
79	F	97.7	Very high	98	Very high	26 Å²	26	45.5 Å²	45.5	11%	0.114	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-72.9	-16.1	176.5	66.4	-101.6	0	0	0	112.6	G30 T31 I54 A81 L82 L100 L102 E218 I219 A222	G30-F79 WeakPolarHBondContact O-CB 3.21Å; T31-F79 HydrophobicContact CG2-CD1 3.89Å; T31-F79 HydrophobicContact CG2-CE1 4.23Å; T31-F79 HydrophobicContact CG2-CG 4.49Å; I54-F79 HydrophobicContact CG2-CB 4.44Å; F79-A81 PolarHBondContact O-N 3.2Å; F79-L82 VanDerWaalsContact O-CB 3.25Å; F79-L82 WeakPolarHBondContact O-CB 3.45Å; F79-L82 WeakPolarHBondContact O-CD2 3.48Å; F79-L82 VanDerWaalsContact O-CG 3.29Å; F79-L82 WeakPolarHBondContact O-CG 3.44Å; F79-L82 PolarHBondContact O-N 3.2Å; F79-L82 VanDerWaalsContact O-N 3.09Å; F79-L100 HydrophobicContact CB-CD2 4.4Å; F79-L100 HydrophobicContact CD2-CD2 4.15Å; F79-L100 HydrophobicContact CG-CD2 4.35Å; F79-L102 HydrophobicContact CE2-CD2 4.32Å; F79-L102 HydrophobicContact CZ-CD2 3.98Å; F79-E218 HydrophobicContact CE1-CB 4.33Å; F79-E218 HydrophobicContact CE2-CB 3.99Å; F79-E218 HydrophobicContact CZ-CB 3.69Å; F79-I219 HydrophobicContact CE2-CG1 4.34Å; F79-I219 HydrophobicContact CZ-CG1 4.12Å; F79-A222 HydrophobicContact CD2-CB 3.52Å; F79-A222 HydrophobicContact CE2-CB 3.79Å
80	S	98	Very high	97.9	Very high	12 Å²	12	50 Å²	50	8%	0.084	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-59	-30.6	170.4	62.1	0	0	0	0	113.3	P78 L82 E218	P78-S80 WeakPolarHBondContact CB-OG 3.39Å; P78-S80 PolarHBondContact O-N 2.97Å; S80-L82 PolarHBondContact O-N 3.48Å; S80-E218 VanDerWaalsContact CB-CD 3.45Å; S80-E218 WeakPolarHBondContact CB-OE1 3.43Å; S80-E218 PolarHBondContact OG-OE1 3.17Å; S80-E218 PolarHBondContact OG-OE2 2.97Å; S80-E218 VanDerWaalsContact OG-OE2 3.13Å
81	A	98.1	Very high	98	Very high	10 Å²	10	44.2 Å²	44.2	8%	0.083	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-81.9	8.3	177.1	0	0	0	0	0	113.6	P78 F79 G83 E84 Y85	P78-A81 HydrophobicContact CG-CB 4.17Å; P78-A81 PolarHBondContact O-N 2.98Å; F79-A81 PolarHBondContact O-N 3.2Å; A81-G83 PolarHBondContact O-N 3.33Å; A81-E84 WeakPolarHBondContact O-CB 3.25Å; A81-E84 PolarHBondContact O-N 3.19Å; A81-Y85 HydrophobicContact CB-CD2 4.44Å; A81-Y85 HydrophobicContact CB-CE1 4.01Å; A81-Y85 HydrophobicContact CB-CE2 3.76Å; A81-Y85 WeakPolarHBondContact O-CD2 3.32Å; A81-Y85 PolarHBondContact O-N 3.46Å; A81-Y85 VanDerWaalsContact O-N 3.11Å
82	L	97.9	Very high	97.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-54.3	-31.1	-179.4	68.9	82.1	0	0	0	113.3	I54 F79 S80 V86 A222 V229	I54-L82 HydrophobicContact CD1-CB 3.88Å; F79-L82 VanDerWaalsContact O-CB 3.25Å; F79-L82 WeakPolarHBondContact O-CB 3.45Å; F79-L82 WeakPolarHBondContact O-CD2 3.48Å; F79-L82 VanDerWaalsContact O-CG 3.29Å; F79-L82 WeakPolarHBondContact O-CG 3.44Å; F79-L82 PolarHBondContact O-N 3.2Å; F79-L82 VanDerWaalsContact O-N 3.09Å; S80-L82 PolarHBondContact O-N 3.48Å; L82-V86 WeakPolarHBondContact O-CB 3.48Å; L82-V86 WeakPolarHBondContact O-CG2 3.29Å; L82-V86 PolarHBondContact O-N 3.48Å; L82-A222 HydrophobicContact CD2-CB 3.8Å; L82-V229 HydrophobicContact CD1-CB 4.27Å; L82-V229 HydrophobicContact CD1-CG1 4.35Å; L82-V229 HydrophobicContact CD1-CG2 3.78Å
83	G	97.9	Very high	97.9	Very high	15 Å²	15	46.2 Å²	46.2	16%	0.155	25%	0.249	C	C	.	.	H	α-helix	trans	-64.8	-41.4	178.1	0	0	0	0	0	112	A81 A87	A81-G83 PolarHBondContact O-N 3.33Å; G83-A87 WeakPolarHBondContact O-CB 3.41Å; G83-A87 PolarHBondContact O-N 3.01Å
84	E	98.4	Very high	97.9	Very high	128 Å²	128	49 Å²	49	60%	0.598	26%	0.255	S	S	*	.	H	α-helix	trans	-68.1	-48.5	177.8	-61.9	173.5	-171.1	0	0	110.1	A81 V86 A87 E88	A81-E84 WeakPolarHBondContact O-CB 3.25Å; A81-E84 PolarHBondContact O-N 3.19Å; E84-V86 VanDerWaalsContact C-N 3.26Å; E84-V86 PolarHBondContact O-N 3.35Å; E84-A87 WeakPolarHBondContact O-CB 3.47Å; E84-A87 PolarHBondContact O-N 2.88Å; E84-A87 VanDerWaalsContact O-N 3.07Å; E84-E88 WeakPolarHBondContact O-CG 2.95Å; E84-E88 PolarHBondContact O-N 3.11Å
85	Y	98.3	Very high	97.9	Very high	30 Å²	30	47.1 Å²	47.1	12%	0.118	25%	0.245	C	C	.	.	H	α-helix	trans	-59	-37	179.8	-59.4	-26.9	0	0	0	113.6	I54 I75 G77 P78 A81 R89	I54-Y85 HydrophobicContact CD1-CD2 3.81Å; I54-Y85 HydrophobicContact CD1-CE2 4.36Å; I54-Y85 HydrophobicContact CG1-CD2 4.17Å; I54-Y85 HydrophobicContact CG2-CD2 4.47Å; I54-Y85 HydrophobicContact CG2-CE2 4.01Å; I75-Y85 HydrophobicContact CD1-CD1 4.1Å; I75-Y85 HydrophobicContact CD1-CD2 3.79Å; I75-Y85 HydrophobicContact CD1-CG 3.53Å; I75-Y85 HydrophobicContact CG2-CD1 4.22Å; I75-Y85 HydrophobicContact CG2-CD2 4.01Å; I75-Y85 HydrophobicContact CG2-CE1 3.98Å; I75-Y85 HydrophobicContact CG2-CE2 3.74Å; I75-Y85 HydrophobicContact CG2-CG 4.26Å; G77-Y85 WeakPolarHBondContact CA-OH 3.48Å; P78-Y85 WeakPolarHBondContact CD-OH 3.28Å; P78-Y85 WeakPolarHBondContact O-CE2 3.29Å; A81-Y85 HydrophobicContact CB-CD2 4.44Å; A81-Y85 HydrophobicContact CB-CE1 4.01Å; A81-Y85 HydrophobicContact CB-CE2 3.76Å; A81-Y85 WeakPolarHBondContact O-CD2 3.32Å; A81-Y85 PolarHBondContact O-N 3.46Å; A81-Y85 VanDerWaalsContact O-N 3.11Å; Y85-R89 WeakPolarHBondContact O-CD 3.14Å; Y85-R89 WeakPolarHBondContact O-CG 3.31Å; Y85-R89 PolarHBondContact O-NH1 3.22Å
86	V	98.2	Very high	97.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-73.6	-40.2	176.6	169.1	0	0	0	0	111	I28 L82 E84 R89 D90 L91 I92 I95 V229	I28-V86 HydrophobicContact CD1-CG2 3.55Å; L82-V86 WeakPolarHBondContact O-CB 3.48Å; L82-V86 WeakPolarHBondContact O-CG2 3.29Å; L82-V86 PolarHBondContact O-N 3.48Å; E84-V86 VanDerWaalsContact C-N 3.26Å; E84-V86 PolarHBondContact O-N 3.35Å; V86-R89 PolarHBondContact O-N 3.34Å; V86-D90 PolarHBondContact O-N 3.37Å; V86-L91 HydrophobicContact CG1-CB 3.72Å; V86-L91 WeakPolarHBondContact CG1-O 3.22Å; V86-L91 PolarHBondContact O-N 3.42Å; V86-I92 HydrophobicContact CB-CD1 4.37Å; V86-I92 HydrophobicContact CG1-CD1 3.79Å; V86-I92 HydrophobicContact CG1-CG1 4.16Å; V86-I95 HydrophobicContact CG1-CG1 4.26Å; V86-I95 HydrophobicContact CG2-CD1 4.48Å; V86-I95 HydrophobicContact CG2-CG1 4.27Å; V86-V229 HydrophobicContact CB-CG1 4.26Å; V86-V229 HydrophobicContact CB-CG2 4Å; V86-V229 HydrophobicContact CG1-CB 4.38Å; V86-V229 HydrophobicContact CG1-CG1 3.95Å; V86-V229 HydrophobicContact CG1-CG2 3.96Å; V86-V229 HydrophobicContact CG2-CG1 3.74Å; V86-V229 HydrophobicContact CG2-CG2 4.18Å
87	A	97.8	Very high	97.9	Very high	45 Å²	45	43.5 Å²	43.5	37%	0.372	23%	0.229	S	C	.	.	H	α-helix	trans	-62.7	-45.5	176.5	0	0	0	0	0	111.9	G83 E84 R89 D90 I92	G83-A87 WeakPolarHBondContact O-CB 3.41Å; G83-A87 PolarHBondContact O-N 3.01Å; E84-A87 WeakPolarHBondContact O-CB 3.47Å; E84-A87 PolarHBondContact O-N 2.88Å; E84-A87 VanDerWaalsContact O-N 3.07Å; A87-R89 PolarHBondContact O-N 2.97Å; A87-D90 PolarHBondContact O-N 3.11Å; A87-I92 HydrophobicContact CB-CD1 4.15Å; A87-I92 HydrophobicContact CB-CG1 4.08Å
88	E	97.7	Very high	98	Very high	135 Å²	135	43.5 Å²	43.5	63%	0.631	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-19.9	176.7	-72.5	174	174.7	0	0	114	E84	E84-E88 WeakPolarHBondContact O-CG 2.95Å; E84-E88 PolarHBondContact O-N 3.11Å
89	R	97.6	Very high	98.1	Very high	101 Å²	101	42 Å²	42	38%	0.381	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105	6.2	-179.3	-69.2	167.6	177.3	63.4	6.7	112.9	Y85 V86 A87 L91	Y85-R89 WeakPolarHBondContact O-CD 3.14Å; Y85-R89 WeakPolarHBondContact O-CG 3.31Å; Y85-R89 PolarHBondContact O-NH1 3.22Å; V86-R89 PolarHBondContact O-N 3.34Å; A87-R89 PolarHBondContact O-N 2.97Å; R89-L91 HydrophobicContact CB-CB 4.49Å; R89-L91 HydrophobicContact CB-CD1 3.92Å; R89-L91 HydrophobicContact CB-CG 3.87Å; R89-L91 WeakPolarHBondContact O-CG 3.33Å; R89-L91 PolarHBondContact O-N 2.67Å
90	D	97.6	Very high	98.1	Very high	127 Å²	127	40.9 Å²	40.9	68%	0.679	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	36.6	-174.5	-62.1	-56	0	0	0	113	V86 A87 K94	V86-D90 PolarHBondContact O-N 3.37Å; A87-D90 PolarHBondContact O-N 3.11Å; D90-K94 WeakPolarHBondContact O-CE 3.27Å; D90-K94 PolarHBondContact O-NZ 3Å
91	L	97.8	Very high	98.1	Very high	13 Å²	13	42 Å²	42	7%	0.068	22%	0.219	C	C	.	.			trans	-104.8	6.6	-176.9	-67.1	-177.7	0	0	0	114.1	I26 V86 R89 G93 K94 I95	I26-L91 HydrophobicContact CD1-CD2 3.82Å; I26-L91 HydrophobicContact CG2-CD1 4.29Å; V86-L91 HydrophobicContact CG1-CB 3.72Å; V86-L91 WeakPolarHBondContact CG1-O 3.22Å; V86-L91 PolarHBondContact O-N 3.42Å; R89-L91 HydrophobicContact CB-CB 4.49Å; R89-L91 HydrophobicContact CB-CD1 3.92Å; R89-L91 HydrophobicContact CB-CG 3.87Å; R89-L91 WeakPolarHBondContact O-CG 3.33Å; R89-L91 PolarHBondContact O-N 2.67Å; L91-G93 PolarHBondContact O-N 2.92Å; L91-K94 HydrophobicContact CD2-CD 4.27Å; L91-K94 WeakPolarHBondContact O-CB 3.47Å; L91-K94 PolarHBondContact O-N 2.98Å; L91-I95 HydrophobicContact CB-CD1 4.07Å; L91-I95 HydrophobicContact CD1-CD1 4.23Å
92	I	97.7	Very high	98	Very high	82 Å²	82	41.7 Å²	41.7	42%	0.421	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	129.6	178.3	-67.3	-69.9	0	0	0	110.3	V86 A87 K94 V229	V86-I92 HydrophobicContact CB-CD1 4.37Å; V86-I92 HydrophobicContact CG1-CD1 3.79Å; V86-I92 HydrophobicContact CG1-CG1 4.16Å; A87-I92 HydrophobicContact CB-CD1 4.15Å; A87-I92 HydrophobicContact CB-CG1 4.08Å; I92-K94 PolarHBondContact O-N 3.48Å; I92-V229 HydrophobicContact CD1-CG2 4.17Å
93	G	97.4	Very high	97.8	Very high	31 Å²	31	42.7 Å²	42.7	32%	0.32	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.1	15	-176.7	0	0	0	0	0	114.8	L91 N228 V229 A231	L91-G93 PolarHBondContact O-N 2.92Å; G93-N228 PolarHBondContact N-O 3.38Å; G93-V229 WeakPolarHBondContact CA-O 3.24Å; G93-V229 PolarHBondContact N-O 2.98Å; G93-A231 VanDerWaalsContact O-CA 3.23Å; G93-A231 WeakPolarHBondContact O-CA 3.46Å; G93-A231 VanDerWaalsContact O-CB 3.28Å; G93-A231 WeakPolarHBondContact O-CB 3.38Å
94	K	98.2	Very high	97.5	Very high	110 Å²	110	43.2 Å²	43.2	48%	0.478	23%	0.226	S	C	.	.			trans	-116.3	-2.9	-178.9	-55.6	-177	-171.6	162	0	113.8	I26 D90 L91 I92 V229	I26-K94 HydrophobicContact CD1-CB 4.15Å; D90-K94 WeakPolarHBondContact O-CE 3.27Å; D90-K94 PolarHBondContact O-NZ 3Å; L91-K94 HydrophobicContact CD2-CD 4.27Å; L91-K94 WeakPolarHBondContact O-CB 3.47Å; L91-K94 PolarHBondContact O-N 2.98Å; I92-K94 PolarHBondContact O-N 3.48Å; K94-V229 PolarHBondContact N-O 3.41Å
95	I	98.7	Very high	97.1	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	122	-177.6	-56.3	-54.5	0	0	0	110.6	I26 I28 V86 L91 G97 I98 V229 L230 A231	I26-I95 HydrophobicContact CB-CD1 4.18Å; I26-I95 HydrophobicContact CG2-CD1 3.53Å; I26-I95 CarbonylContact O-C 3.59Å; I28-I95 HydrophobicContact CD1-CD1 4.09Å; I28-I95 HydrophobicContact CD1-CG1 3.92Å; I28-I95 HydrophobicContact CD1-CG2 3.98Å; I28-I95 HydrophobicContact CG1-CD1 4.29Å; I28-I95 HydrophobicContact CG1-CG1 4.47Å; I28-I95 HydrophobicContact CG1-CG2 3.94Å; V86-I95 HydrophobicContact CG1-CG1 4.26Å; V86-I95 HydrophobicContact CG2-CD1 4.48Å; V86-I95 HydrophobicContact CG2-CG1 4.27Å; L91-I95 HydrophobicContact CB-CD1 4.07Å; L91-I95 HydrophobicContact CD1-CD1 4.23Å; I95-G97 VanDerWaalsContact CG2-O 3.27Å; I95-G97 WeakPolarHBondContact CG2-O 3.31Å; I95-I98 HydrophobicContact CG2-CG1 3.82Å; I95-V229 HydrophobicContact CB-CG1 3.8Å; I95-V229 WeakPolarHBondContact CB-O 3.15Å; I95-V229 HydrophobicContact CG1-CG1 3.36Å; I95-V229 HydrophobicContact CG2-CG1 4.34Å; I95-V229 PolarHBondContact N-O 2.83Å; I95-L230 HydrophobicContact CG2-CD2 4.24Å; I95-L230 CarbonylContact O-C 3.56Å; I95-L230 WeakPolarHBondContact O-CA 3.41Å; I95-L230 WeakPolarHBondContact O-CD2 3.32Å; I95-A231 PolarHBondContact O-N 3.03Å
96	D	98.7	Very high	96.6	Very high	17 Å²	17	38.4 Å²	38.4	9%	0.091	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	-21.6	-178.9	-67.5	-63.9	0	0	0	113.4	R22 G25 I26 Y27 G234 R235	R22-D96 IonicContact CZ-OD1 3.26Å; R22-D96 IonicContact NE-OD1 2.92Å; R22-D96 IonicContact NH2-OD1 2.71Å; R22-D96 PolarHBondContact NH2-OD1 3.19Å; R22-D96 IonicContact NH2-OD2 2.7Å; G25-D96 WeakPolarHBondContact CA-OD2 3.2Å; I26-D96 PolarHBondContact N-OD2 3.13Å; I26-D96 PolarHBondContact O-N 3.27Å; Y27-D96 HydrophobicContact CD1-CB 4.49Å; Y27-D96 HydrophobicContact CE1-CB 3.84Å; Y27-D96 HydrophobicContact CE2-CB 4.28Å; D96-G234 CarbonylContact O-C 3.57Å; D96-G234 WeakPolarHBondContact O-CA 3.42Å; D96-R235 PolarHBondContact O-N 2.85Å
97	G	98.7	Very high	96.1	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	151.2	169.6	0	0	0	0	0	114.4	I26 Y27 I28 I95 R235	I26-G97 PolarHBondContact O-N 2.94Å; Y27-G97 CarbonylContact C-O 3.57Å; Y27-G97 WeakPolarHBondContact CA-O 3.48Å; I28-G97 PolarHBondContact N-O 3.07Å; I95-G97 VanDerWaalsContact CG2-O 3.27Å; I95-G97 WeakPolarHBondContact CG2-O 3.31Å; G97-R235 CarbonylContact C-O 3.55Å; G97-R235 WeakPolarHBondContact CA-O 3.48Å
98	I	98.8	Very high	95.9	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125.5	174.6	-59.9	167.7	0	0	0	107.3	I28 I95 L100 V229 L230 R235 L236 S237	I28-I98 HydrophobicContact CB-CG1 4.16Å; I28-I98 HydrophobicContact CB-CG2 4.46Å; I28-I98 HydrophobicContact CD1-CG1 4.34Å; I28-I98 HydrophobicContact CG2-CG2 4.45Å; I28-I98 CarbonylContact O-C 3.53Å; I28-I98 WeakPolarHBondContact O-CA 3.19Å; I95-I98 HydrophobicContact CG2-CG1 3.82Å; I98-L100 HydrophobicContact CG2-CD2 4.22Å; I98-L100 HydrophobicContact CG2-CG 4.11Å; I98-V229 HydrophobicContact CD1-CB 4.44Å; I98-V229 HydrophobicContact CD1-CG1 3.89Å; I98-L230 HydrophobicContact CB-CD2 4.48Å; I98-L230 HydrophobicContact CD1-CD1 4.38Å; I98-L230 HydrophobicContact CD1-CD2 3.79Å; I98-L230 HydrophobicContact CD1-CG 3.79Å; I98-L230 HydrophobicContact CG1-CD2 3.77Å; I98-L230 HydrophobicContact CG1-CG 4.34Å; I98-R235 PolarHBondContact N-O 3.27Å; I98-L236 HydrophobicContact CB-CD1 3.82Å; I98-L236 HydrophobicContact CG2-CD1 3.96Å; I98-S237 PolarHBondContact O-N 3.36Å
99	L	98.8	Very high	95.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	131.3	170.4	-167.8	151.4	0	0	0	109.6	A15 V16 L19 I28 G30 H37 D101 S237	A15-L99 HydrophobicContact CB-CD1 3.86Å; V16-L99 HydrophobicContact CG2-CD1 4.17Å; L19-L99 HydrophobicContact CD1-CB 4.25Å; L19-L99 HydrophobicContact CD1-CD1 4.22Å; L19-L99 HydrophobicContact CD2-CB 4.41Å; I28-L99 PolarHBondContact O-N 3.25Å; G30-L99 PolarHBondContact N-O 3.44Å; H37-L99 HydrophobicContact CB-CD1 3.93Å; H37-L99 HydrophobicContact CB-CD2 4.12Å; L99-D101 HydrophobicContact CD2-CB 4.34Å; L99-S237 CarbonylContact C-O 3.49Å; L99-S237 VanDerWaalsContact CA-O 3.24Å; L99-S237 WeakPolarHBondContact CA-O 3.45Å
100	L	98.6	Very high	95.3	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	114.6	171.5	-57.1	174.3	0	0	0	109.5	F79 I98 L102 A222 S237 I238 I239	F79-L100 HydrophobicContact CB-CD2 4.4Å; F79-L100 HydrophobicContact CD2-CD2 4.15Å; F79-L100 HydrophobicContact CG-CD2 4.35Å; I98-L100 HydrophobicContact CG2-CD2 4.22Å; I98-L100 HydrophobicContact CG2-CG 4.11Å; L100-L102 HydrophobicContact CB-CD2 3.95Å; L100-L102 HydrophobicContact CB-CG 4.48Å; L100-A222 HydrophobicContact CD1-CB 4.33Å; L100-S237 PolarHBondContact N-O 3.01Å; L100-I238 HydrophobicContact CB-CG1 4.16Å; L100-I238 HydrophobicContact CB-CG2 4.27Å; L100-I238 HydrophobicContact CD1-CD1 4.12Å; L100-I238 HydrophobicContact CD1-CG1 4.28Å; L100-I238 HydrophobicContact CG-CG1 4.46Å; L100-I238 CarbonylContact O-C 3.46Å; L100-I238 VanDerWaalsContact O-CA 3.31Å; L100-I238 WeakPolarHBondContact O-CA 3.41Å; L100-I239 PolarHBondContact O-N 2.56Å
101	D	97.4	Very high	95.1	Very high	36 Å²	36	26.7 Å²	26.7	19%	0.193	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	91.5	171.2	-169.2	20.4	0	0	0	108.7	T31 H37 L99 I239 F241	T31-D101 WeakPolarHBondContact CB-O 3.22Å; T31-D101 WeakPolarHBondContact CG2-O 3.24Å; T31-D101 WeakPolarHBondContact OG1-CA 3.3Å; T31-D101 WeakPolarHBondContact OG1-CB 2.84Å; T31-D101 PolarHBondContact OG1-N 3.4Å; T31-D101 PolarHBondContact OG1-O 2.84Å; H37-D101 IonicContact CE1-OD2 3.81Å; H37-D101 PolarHBondContact CE1-OD2 2.86Å; L99-D101 HydrophobicContact CD2-CB 4.34Å; D101-I239 HydrophobicContact CB-CD1 4.26Å; D101-I239 WeakPolarHBondContact OD1-CB 3.5Å; D101-F241 WeakPolarHBondContact OD1-CE2 3.49Å; D101-F241 VanDerWaalsContact OD1-CZ 3.27Å; D101-F241 WeakPolarHBondContact OD1-CZ 3.44Å
102	L	96.9	Very high	95	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.016	16%	0.158	C	C	.	.			trans	-73.2	163.7	-165.4	-59.4	176.4	0	0	0	113	F79 L100 I219 I238 I239 F241 E245 V249	F79-L102 HydrophobicContact CE2-CD2 4.32Å; F79-L102 HydrophobicContact CZ-CD2 3.98Å; L100-L102 HydrophobicContact CB-CD2 3.95Å; L100-L102 HydrophobicContact CB-CG 4.48Å; L102-I219 HydrophobicContact CD1-CD1 3.68Å; L102-I219 HydrophobicContact CD1-CG1 3.88Å; L102-I219 HydrophobicContact CD1-CG2 4.36Å; L102-I219 HydrophobicContact CD2-CD1 4.21Å; L102-I219 HydrophobicContact CD2-CG1 3.73Å; L102-I219 HydrophobicContact CG-CD1 4.39Å; L102-I219 HydrophobicContact CG-CG1 4.38Å; L102-I238 HydrophobicContact CD1-CG2 3.63Å; L102-I238 HydrophobicContact CG-CG2 3.98Å; L102-I239 VanDerWaalsContact CB-O 3.26Å; L102-I239 WeakPolarHBondContact CB-O 3.11Å; L102-I239 VanDerWaalsContact CG-O 3.26Å; L102-I239 WeakPolarHBondContact CG-O 3.33Å; L102-I239 PolarHBondContact N-O 3.4Å; L102-F241 WeakPolarHBondContact O-CD2 3.31Å; L102-F241 WeakPolarHBondContact O-CE2 3.27Å; L102-E245 HydrophobicContact CD1-CB 4.21Å; L102-E245 HydrophobicContact CD1-CG 4.42Å; L102-V249 HydrophobicContact CD1-CG2 4.16Å
103	G	91.7	Very high	94.9	Very high	21 Å²	21	28.7 Å²	28.7	22%	0.216	17%	0.165	C	C	.	.	S	Bend	trans	82.6	-146.8	177.1	0	0	0	0	0	112.8	M128 E245	G103-M128 VanDerWaalsContact O-CE 3.27Å; G103-M128 WeakPolarHBondContact O-CE 3.23Å; G103-E245 PolarHBondContact N-OE1 3.06Å
104	V	92.2	Very high	94.9	Very high	27 Å²	27	27.9 Å²	27.9	16%	0.164	15%	0.152	C	C	.	.			trans	-101.2	141.4	-172	-73.8	0	0	0	0	112.5	Q108 L109 F116 M128 R209	V104-Q108 HydrophobicContact CB-CB 4.49Å; V104-L109 HydrophobicContact CB-CG 4.36Å; V104-L109 HydrophobicContact CG2-CD1 3.72Å; V104-L109 HydrophobicContact CG2-CD2 3.82Å; V104-L109 HydrophobicContact CG2-CG 3.63Å; V104-F116 HydrophobicContact CG1-CD1 3.59Å; V104-F116 HydrophobicContact CG1-CE1 3.6Å; V104-F116 HydrophobicContact CG1-CG 4.34Å; V104-F116 HydrophobicContact CG1-CZ 4.39Å; V104-M128 HydrophobicContact CG1-CE 3.89Å; V104-R209 VanDerWaalsContact CG1-CD 3.49Å; V104-R209 VanDerWaalsContact CG2-NH1 3.35Å
105	S	90.8	Very high	94.9	Very high	26 Å²	26	22.7 Å²	22.7	18%	0.182	13%	0.129	C	C	.	.			trans	-71.6	153.8	171.9	70	0	0	0	0	111.6	Q108 L109	S105-Q108 WeakPolarHBondContact O-CB 3.5Å; S105-Q108 PolarHBondContact O-N 2.82Å; S105-Q108 VanDerWaalsContact O-N 3.12Å; S105-Q108 VanDerWaalsContact OG-CD 3.27Å; S105-Q108 WeakPolarHBondContact OG-CG 3.17Å; S105-Q108 PolarHBondContact OG-OE1 3.09Å; S105-L109 PolarHBondContact O-N 3.2Å
106	S	87.3	Confident	94.8	Very high	30 Å²	30	23.2 Å²	23.2	21%	0.21	13%	0.132	C	C	.	.	H	α-helix	trans	-52.6	-47	176	-76.3	0	0	0	0	113.1	H7 Q108 L109 D110 R299	H7-S106 WeakPolarHBondContact ND1-CB 3.27Å; S106-Q108 VanDerWaalsContact C-N 3.28Å; S106-Q108 PolarHBondContact O-N 3.3Å; S106-L109 WeakPolarHBondContact O-CB 3.24Å; S106-L109 PolarHBondContact O-N 2.82Å; S106-D110 WeakPolarHBondContact O-CB 3.28Å; S106-D110 VanDerWaalsContact O-CG 3.23Å; S106-D110 PolarHBondContact O-N 3.06Å; S106-R299 PolarHBondContact OG-NH1 3.04Å
107	P	88.2	Confident	94.6	Very high	16 Å²	16	23.7 Å²	23.7	10%	0.104	14%	0.136	C	C	.	.	H	α-helix	trans	-63.6	-29.3	179.3	-28.5	41.7	0	0	0	114.5	R34 L109 D110 D111	R34-P107 HydrophobicContact CG-CG 3.88Å; R34-P107 VanDerWaalsContact CZ-CG 3.41Å; P107-L109 VanDerWaalsContact C-N 3.34Å; P107-D110 PolarHBondContact O-N 3.39Å; P107-D111 WeakPolarHBondContact O-CB 2.98Å; P107-D111 PolarHBondContact O-N 3.24Å
108	Q	93.8	Very high	94.3	Very high	6 Å²	6	25 Å²	25	3%	0.028	14%	0.142	C	C	.	.	H	α-helix	trans	-66.9	-36.4	172.6	-74.8	164.8	-19.8	0	0	111.8	D57 V104 S105 S106 F116	D57-Q108 WeakPolarHBondContact OD2-CG 3.29Å; D57-Q108 PolarHBondContact OD2-NE2 3.5Å; V104-Q108 HydrophobicContact CB-CB 4.49Å; S105-Q108 WeakPolarHBondContact O-CB 3.5Å; S105-Q108 PolarHBondContact O-N 2.82Å; S105-Q108 VanDerWaalsContact O-N 3.12Å; S105-Q108 VanDerWaalsContact OG-CD 3.27Å; S105-Q108 WeakPolarHBondContact OG-CG 3.17Å; S105-Q108 PolarHBondContact OG-OE1 3.09Å; S106-Q108 VanDerWaalsContact C-N 3.28Å; S106-Q108 PolarHBondContact O-N 3.3Å; Q108-F116 HydrophobicContact CB-CD2 3.73Å; Q108-F116 HydrophobicContact CB-CE2 3.86Å; Q108-F116 HydrophobicContact CB-CG 4.31Å; Q108-F116 HydrophobicContact CG-CD2 4.37Å; Q108-F116 HydrophobicContact CG-CE2 3.99Å; Q108-F116 WeakPolarHBondContact O-CB 3.24Å; Q108-F116 WeakPolarHBondContact O-CD2 3.17Å
109	L	91.5	Very high	93.9	Very high	51 Å²	51	32.3 Å²	32.3	27%	0.267	18%	0.178	S	C	.	.	H	α-helix	trans	-76.2	-34.9	175.2	-72.3	172.2	0	0	0	112.9	V104 S105 S106 P107 F116	V104-L109 HydrophobicContact CB-CG 4.36Å; V104-L109 HydrophobicContact CG2-CD1 3.72Å; V104-L109 HydrophobicContact CG2-CD2 3.82Å; V104-L109 HydrophobicContact CG2-CG 3.63Å; S105-L109 PolarHBondContact O-N 3.2Å; S106-L109 WeakPolarHBondContact O-CB 3.24Å; S106-L109 PolarHBondContact O-N 2.82Å; P107-L109 VanDerWaalsContact C-N 3.34Å; L109-F116 HydrophobicContact CD2-CB 4.13Å
110	D	89.9	Confident	93.7	Very high	30 Å²	30	39.3 Å²	39.3	16%	0.16	21%	0.205	C	C	.	.	H	α-helix	trans	-80.4	-42.6	-175.4	-68	-44	0	0	0	111	H7 S106 P107 A112 R120 R299	H7-D110 IonicContact CE1-OD2 3.2Å; H7-D110 PolarHBondContact CE1-OD2 3.01Å; H7-D110 IonicContact ND1-OD2 3.47Å; S106-D110 WeakPolarHBondContact O-CB 3.28Å; S106-D110 VanDerWaalsContact O-CG 3.23Å; S106-D110 PolarHBondContact O-N 3.06Å; P107-D110 PolarHBondContact O-N 3.39Å; D110-A112 PolarHBondContact O-N 3.26Å; D110-R120 VanDerWaalsContact O-CZ 3.27Å; D110-R120 PolarHBondContact O-NH2 2.96Å; D110-R299 IonicContact OD1-CZ 2.81Å; D110-R299 IonicContact OD1-NH1 3.7Å; D110-R299 IonicContact OD1-NH2 2.71Å; D110-R299 PolarHBondContact OD1-NH2 2.93Å; D110-R299 IonicContact OD2-CZ 2.69Å; D110-R299 IonicContact OD2-NH1 3.18Å; D110-R299 PolarHBondContact OD2-NH1 3.18Å; D110-R299 IonicContact OD2-NH2 3.6Å; D110-R299 PolarHBondContact OD2-NH2 2.97Å
111	D	94.1	Very high	93.7	Very high	59 Å²	59	41.4 Å²	41.4	32%	0.316	22%	0.216	S	C	.	.			trans	-73.9	110	176.6	-176.6	4.9	0	0	0	111.2	P107 E113 R114	P107-D111 WeakPolarHBondContact O-CB 2.98Å; P107-D111 PolarHBondContact O-N 3.24Å; D111-E113 PolarHBondContact O-N 2.96Å; D111-E113 WeakPolarHBondContact OD1-CB 3.34Å; D111-E113 PolarHBondContact OD1-N 3.31Å; D111-R114 HydrophobicContact CB-CG 3.75Å; D111-R114 WeakPolarHBondContact O-CB 3.48Å; D111-R114 PolarHBondContact O-N 2.6Å; D111-R114 VanDerWaalsContact O-N 3.08Å
112	A	95.9	Very high	93.7	Very high	18 Å²	18	39.7 Å²	39.7	15%	0.149	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-61.8	-29.9	-178.9	0	0	0	0	0	112.2	D110 R114 G115 R120 G122	D110-A112 PolarHBondContact O-N 3.26Å; A112-R114 PolarHBondContact O-N 2.7Å; A112-R114 VanDerWaalsContact O-N 3.13Å; A112-G115 PolarHBondContact O-N 3.35Å; A112-R120 HydrophobicContact CB-CB 3.7Å; A112-G122 WeakPolarHBondContact O-CA 3.33Å
113	E	96.6	Very high	93.7	Very high	120 Å²	120	41.5 Å²	41.5	56%	0.561	22%	0.219	S	C	*	.	G	3₁₀ helix	trans	-66.3	-15.1	179.2	-66	-57.7	131	0	0	112.6	D111 P123	D111-E113 PolarHBondContact O-N 2.96Å; D111-E113 WeakPolarHBondContact OD1-CB 3.34Å; D111-E113 PolarHBondContact OD1-N 3.31Å; E113-P123 WeakPolarHBondContact OE2-CD 3.16Å; E113-P123 WeakPolarHBondContact OE2-CG 3.19Å
114	R	96.7	Very high	94.1	Very high	14 Å²	14	40.7 Å²	40.7	5%	0.053	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-82.3	-18.6	175.1	-56.8	-60.3	-57.4	-83.2	-1.7	113.5	D57 D111 A112 F116 M126 R127 M128	D57-R114 IonicContact OD1-CZ 3.58Å; D57-R114 IonicContact OD1-NH1 3.52Å; D57-R114 PolarHBondContact OD1-NH1 2.73Å; D57-R114 IonicContact OD1-NH2 2.95Å; D57-R114 IonicContact OD2-CZ 3.83Å; D57-R114 VanDerWaalsContact OD2-CZ 3.26Å; D57-R114 IonicContact OD2-NH1 3.72Å; D57-R114 PolarHBondContact OD2-NH1 3.34Å; D57-R114 IonicContact OD2-NH2 3.23Å; D57-R114 PolarHBondContact OD2-NH2 3.3Å; D111-R114 HydrophobicContact CB-CG 3.75Å; D111-R114 WeakPolarHBondContact O-CB 3.48Å; D111-R114 PolarHBondContact O-N 2.6Å; D111-R114 VanDerWaalsContact O-N 3.08Å; A112-R114 PolarHBondContact O-N 2.7Å; A112-R114 VanDerWaalsContact O-N 3.13Å; R114-F116 VanDerWaalsContact C-N 3.32Å; R114-F116 HydrophobicContact CB-CD2 3.65Å; R114-F116 HydrophobicContact CB-CE2 4.01Å; R114-F116 WeakPolarHBondContact O-CD2 3.34Å; R114-F116 PolarHBondContact O-N 3.47Å; R114-M126 PolarHBondContact O-N 2.89Å; R114-R127 PolarHBondContact NH2-O 3.45Å; R114-M128 PolarHBondContact NH2-O 2.94Å
115	G	97.5	Very high	94.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.209	C	C	.	.			trans	76.1	6.5	172.6	0	0	0	0	0	116.6	A112 S117 P123 M126 T180	A112-G115 PolarHBondContact O-N 3.35Å; G115-S117 VanDerWaalsContact C-N 3.27Å; G115-S117 PolarHBondContact O-N 3.19Å; G115-P123 WeakPolarHBondContact CA-O 3.49Å; G115-M126 WeakPolarHBondContact O-CE 3.45Å; G115-M126 WeakPolarHBondContact O-CG 3.32Å; G115-T180 WeakPolarHBondContact O-CG2 3.48Å
116	F	96.7	Very high	94.7	Very high	11 Å²	11	39.5 Å²	39.5	5%	0.048	20%	0.2	C	C	.	.	S	Bend	trans	-75.4	-12.6	-178.4	-72.3	-86	0	0	0	114.6	V104 Q108 L109 R114 M126 M128 R209	V104-F116 HydrophobicContact CG1-CD1 3.59Å; V104-F116 HydrophobicContact CG1-CE1 3.6Å; V104-F116 HydrophobicContact CG1-CG 4.34Å; V104-F116 HydrophobicContact CG1-CZ 4.39Å; Q108-F116 HydrophobicContact CB-CD2 3.73Å; Q108-F116 HydrophobicContact CB-CE2 3.86Å; Q108-F116 HydrophobicContact CB-CG 4.31Å; Q108-F116 HydrophobicContact CG-CD2 4.37Å; Q108-F116 HydrophobicContact CG-CE2 3.99Å; Q108-F116 WeakPolarHBondContact O-CB 3.24Å; Q108-F116 WeakPolarHBondContact O-CD2 3.17Å; L109-F116 HydrophobicContact CD2-CB 4.13Å; R114-F116 VanDerWaalsContact C-N 3.32Å; R114-F116 HydrophobicContact CB-CD2 3.65Å; R114-F116 HydrophobicContact CB-CE2 4.01Å; R114-F116 WeakPolarHBondContact O-CD2 3.34Å; R114-F116 PolarHBondContact O-N 3.47Å; F116-M126 HydrophobicContact CD1-CB 4.44Å; F116-M126 HydrophobicContact CE1-CB 4.45Å; F116-M126 WeakPolarHBondContact CE1-O 3.22Å; F116-M126 WeakPolarHBondContact CZ-O 3.21Å; F116-M128 HydrophobicContact CE1-CG 4.28Å; F116-M128 HydrophobicContact CZ-CG 3.88Å; F116-R209 HydrophobicContact CD1-CG 3.6Å; F116-R209 HydrophobicContact CE1-CG 3.62Å
117	S	94.4	Very high	95.2	Very high	27 Å²	27	40 Å²	40	19%	0.189	20%	0.197	C	C	.	.			trans	-133.7	152.4	-176.8	-178	0	0	0	0	110.6	G115 M119 T180	G115-S117 VanDerWaalsContact C-N 3.27Å; G115-S117 PolarHBondContact O-N 3.19Å; S117-M119 PolarHBondContact OG-N 2.87Å; S117-T180 WeakPolarHBondContact O-CB 3.29Å; S117-T180 PolarHBondContact O-OG1 3.11Å
118	F	93.3	Very high	95.6	Very high	28 Å²	28	40 Å²	40	12%	0.123	20%	0.196	C	C	.	.	S	Bend	trans	-105.7	1	172.3	54.4	-93.4	0	0	0	112.6	R120 A184 H199 A201 F205	F118-R120 PolarHBondContact O-N 2.86Å; F118-A184 HydrophobicContact CB-CB 3.76Å; F118-A184 HydrophobicContact CD2-CB 4.24Å; F118-A184 HydrophobicContact CG-CB 3.94Å; F118-H199 AromaticContact CD2-ND1 3.96Å; F118-H199 HydrophobicContact CE2-CB 3.8Å; F118-H199 AromaticContact CE2-CE1 3.84Å; F118-H199 AromaticContact CE2-CG 3.45Å; F118-H199 VanDerWaalsContact CE2-CG 3.45Å; F118-H199 AromaticContact CE2-ND1 3.21Å; F118-H199 WeakPolarHBondContact CE2-ND1 3.38Å; F118-H199 HydrophobicContact CZ-CB 3.82Å; F118-H199 AromaticContact CZ-CG 3.82Å; F118-H199 AromaticContact CZ-ND1 3.46Å; F118-H199 WeakPolarHBondContact CZ-ND1 3.21Å; F118-A201 HydrophobicContact CD1-CB 4.04Å; F118-A201 HydrophobicContact CE1-CB 3.81Å; F118-A201 HydrophobicContact CE2-CB 4.48Å; F118-A201 HydrophobicContact CG-CB 4.48Å; F118-A201 HydrophobicContact CZ-CB 4.06Å; F118-F205 HydrophobicContact CB-CE1 3.83Å; F118-F205 HydrophobicContact CB-CE2 4.28Å; F118-F205 HydrophobicContact CB-CZ 3.66Å; F118-F205 HydrophobicContact CD1-CB 4.46Å; F118-F205 AromaticContact CD1-CD1 3.58Å; F118-F205 HydrophobicContact CD1-CD1 3.58Å; F118-F205 AromaticContact CD1-CD2 3.64Å; F118-F205 HydrophobicContact CD1-CD2 3.64Å; F118-F205 AromaticContact CD1-CE1 3.64Å; F118-F205 HydrophobicContact CD1-CE1 3.64Å; F118-F205 AromaticContact CD1-CE2 3.67Å; F118-F205 HydrophobicContact CD1-CE2 3.67Å; F118-F205 AromaticContact CD1-CG 3.61Å; F118-F205 HydrophobicContact CD1-CG 3.61Å; F118-F205 AromaticContact CD1-CZ 3.7Å; F118-F205 HydrophobicContact CD1-CZ 3.7Å; F118-F205 HydrophobicContact CE1-CB 4.39Å; F118-F205 HydrophobicContact CE1-CD1 4.3Å; F118-F205 HydrophobicContact CE1-CD2 4.06Å; F118-F205 HydrophobicContact CE1-CE2 4.47Å; F118-F205 AromaticContact CE1-CG 3.98Å; F118-F205 HydrophobicContact CE1-CG 3.98Å; F118-F205 HydrophobicContact CG-CE1 4.24Å; F118-F205 HydrophobicContact CG-CE2 4.31Å; F118-F205 HydrophobicContact CG-CZ 4.11Å
119	M	90.7	Very high	95.8	Very high	153 Å²	153	39.7 Å²	39.7	75%	0.754	20%	0.195	S	C	*	.	S	Bend	trans	-62.9	-36.2	177.2	-67.6	-59.4	-63.8	0	0	111.3	S117	S117-M119 PolarHBondContact OG-N 2.87Å
120	R	93.9	Very high	96	Very high	147 Å²	147	40 Å²	40	56%	0.555	20%	0.199	S	C	*	.	S	Bend	trans	-118.6	142.6	166.6	-68.3	-170.3	-78	-164.8	-14.1	108	D110 A112 F118 T180	D110-R120 VanDerWaalsContact O-CZ 3.27Å; D110-R120 PolarHBondContact O-NH2 2.96Å; A112-R120 HydrophobicContact CB-CB 3.7Å; F118-R120 PolarHBondContact O-N 2.86Å; R120-T180 PolarHBondContact O-OG1 2.74Å
121	D	97.6	Very high	96.3	Very high	46 Å²	46	43.2 Å²	43.2	25%	0.246	22%	0.221	C	C	.	.			trans	-75.2	140.4	179.7	-168.9	40.4	0	0	0	110.6	R179 K181	D121-R179 IonicContact OD1-NE 3.25Å; D121-R179 IonicContact OD2-CZ 2.64Å; D121-R179 IonicContact OD2-NE 3.71Å; D121-R179 PolarHBondContact OD2-NE 3.5Å; D121-R179 IonicContact OD2-NH2 3.31Å; D121-R179 PolarHBondContact OD2-NH2 3.23Å; D121-K181 HydrophobicContact CB-CD 3.64Å; D121-K181 HydrophobicContact CB-CG 3.83Å; D121-K181 WeakPolarHBondContact OD1-CB 3.39Å; D121-K181 WeakPolarHBondContact OD1-CG 3.41Å; D121-K181 PolarHBondContact OD1-N 2.8Å
122	G	97.6	Very high	96.2	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.			trans	-165.6	-179.6	178.3	0	0	0	0	0	111.2	A112 R179 T180	A112-G122 WeakPolarHBondContact O-CA 3.33Å; G122-R179 CarbonylContact O-C 3.58Å; G122-R179 VanDerWaalsContact O-CA 3.25Å; G122-R179 WeakPolarHBondContact O-CA 3.19Å; G122-T180 PolarHBondContact N-OG1 3.3Å; G122-T180 PolarHBondContact O-N 3.45Å
123	P	98.3	Very high	96.1	Very high	42 Å²	42	48.4 Å²	48.4	27%	0.273	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-57.4	140.3	175.5	-20.3	33.2	0	0	0	111.3	E113 G115 D125	E113-P123 WeakPolarHBondContact OE2-CD 3.16Å; E113-P123 WeakPolarHBondContact OE2-CG 3.19Å; G115-P123 WeakPolarHBondContact CA-O 3.49Å; P123-D125 PolarHBondContact O-N 3.27Å
124	L	98.5	Very high	96.2	Very high	4 Å²	4	46.6 Å²	46.6	2%	0.021	24%	0.244	C	C	.	.	S	Bend	trans	-79.9	66	175.2	-177.2	59.1	0	0	0	110.2	M126 A136 A137 L140 M177 T178 T180 L183	L124-M126 HydrophobicContact CD1-CE 3.83Å; L124-A136 HydrophobicContact CD1-CB 4.04Å; L124-A136 HydrophobicContact CG-CB 4Å; L124-A137 HydrophobicContact CB-CB 4.07Å; L124-A137 HydrophobicContact CD2-CB 4.34Å; L124-A137 HydrophobicContact CG-CB 4.23Å; L124-A137 WeakPolarHBondContact O-CB 3.46Å; L124-A137 PolarHBondContact O-N 2.89Å; L124-L140 HydrophobicContact CD2-CD1 4.13Å; L124-M177 HydrophobicContact CD2-CB 4.2Å; L124-T178 PolarHBondContact N-O 3.13Å; L124-T180 HydrophobicContact CD1-CG2 4.32Å; L124-L183 HydrophobicContact CD1-CB 4.3Å; L124-L183 HydrophobicContact CD1-CD2 3.71Å; L124-L183 HydrophobicContact CD2-CB 4.06Å; L124-L183 HydrophobicContact CD2-CD2 4.27Å
125	D	98.3	Very high	96.3	Very high	27 Å²	27	46.4 Å²	46.4	14%	0.144	25%	0.245	C	C	.	.			trans	-96.4	-64.9	-175	-167	-72.2	0	0	0	112.9	P123 R127 A136	P123-D125 PolarHBondContact O-N 3.27Å; D125-R127 PolarHBondContact O-N 3.31Å; D125-R127 WeakPolarHBondContact OD1-CB 3.3Å; D125-R127 WeakPolarHBondContact OD1-CG 3.33Å; D125-R127 IonicContact OD1-CZ 2.89Å; D125-R127 PolarHBondContact OD1-N 2.98Å; D125-R127 IonicContact OD1-NE 3.9Å; D125-R127 PolarHBondContact OD1-NE 2.97Å; D125-R127 IonicContact OD1-NH2 3.77Å; D125-R127 IonicContact OD2-CZ 3.34Å; D125-R127 IonicContact OD2-NE 3.11Å; D125-R127 PolarHBondContact OD2-NE 3.45Å; D125-R127 IonicContact OD2-NH2 3.43Å; D125-R127 PolarHBondContact OD2-NH2 3.26Å; D125-A136 WeakPolarHBondContact O-CB 3.3Å; D125-A136 PolarHBondContact O-N 2.61Å
126	M	98.1	Very high	96.3	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	25%	0.245	C	C	.	.			trans	60.9	10.9	-179.5	-56.4	-175.3	176.6	0	0	116.2	R114 G115 F116 L124 A136 F205 V208 R209 N213	R114-M126 PolarHBondContact O-N 2.89Å; G115-M126 WeakPolarHBondContact O-CE 3.45Å; G115-M126 WeakPolarHBondContact O-CG 3.32Å; F116-M126 HydrophobicContact CD1-CB 4.44Å; F116-M126 HydrophobicContact CE1-CB 4.45Å; F116-M126 WeakPolarHBondContact CE1-O 3.22Å; F116-M126 WeakPolarHBondContact CZ-O 3.21Å; L124-M126 HydrophobicContact CD1-CE 3.83Å; M126-A136 HydrophobicContact CB-CB 4.08Å; M126-A136 HydrophobicContact CG-CB 3.97Å; M126-A136 HydrophobicContact SD-CB 3.94Å; M126-F205 HydrophobicContact CE-CB 4.34Å; M126-F205 HydrophobicContact CE-CD1 3.08Å; M126-F205 HydrophobicContact CE-CD2 4.41Å; M126-F205 HydrophobicContact CE-CE1 3.21Å; M126-F205 HydrophobicContact CE-CG 3.73Å; M126-F205 HydrophobicContact CE-CZ 3.96Å; M126-V208 HydrophobicContact SD-CB 4.04Å; M126-V208 HydrophobicContact SD-CG1 3.61Å; M126-R209 HydrophobicContact SD-CB 4.33Å; M126-N213 PolarHBondContact O-ND2 2.88Å
127	R	98.1	Very high	96.4	Very high	40 Å²	40	46.8 Å²	46.8	15%	0.151	25%	0.249	C	C	.	.			trans	-82.8	131.2	174.2	-62.4	173.7	-73	179.1	3.8	110.9	R114 D125 D129 R132 G133 V212	R114-R127 PolarHBondContact NH2-O 3.45Å; D125-R127 PolarHBondContact O-N 3.31Å; D125-R127 WeakPolarHBondContact OD1-CB 3.3Å; D125-R127 WeakPolarHBondContact OD1-CG 3.33Å; D125-R127 IonicContact OD1-CZ 2.89Å; D125-R127 PolarHBondContact OD1-N 2.98Å; D125-R127 IonicContact OD1-NE 3.9Å; D125-R127 PolarHBondContact OD1-NE 2.97Å; D125-R127 IonicContact OD1-NH2 3.77Å; D125-R127 IonicContact OD2-CZ 3.34Å; D125-R127 IonicContact OD2-NE 3.11Å; D125-R127 PolarHBondContact OD2-NE 3.45Å; D125-R127 IonicContact OD2-NH2 3.43Å; D125-R127 PolarHBondContact OD2-NH2 3.26Å; R127-D129 VanDerWaalsContact C-N 3.29Å; R127-R132 WeakPolarHBondContact CD-O 3.48Å; R127-G133 PolarHBondContact NH1-O 3.02Å; R127-V212 HydrophobicContact CG-CG1 3.65Å
128	M	97.3	Very high	96.6	Very high	16 Å²	16	50.1 Å²	50.1	8%	0.079	26%	0.262	C	S	.	.	S	Bend	trans	-66	-37.9	171.5	-69.2	179.1	178.6	0	0	110.6	R56 D57 G103 V104 R114 F116 N213 E215	R56-M128 HydrophobicContact CG-CB 3.78Å; R56-M128 HydrophobicContact CG-SD 4.42Å; D57-M128 WeakPolarHBondContact CA-O 3.11Å; D57-M128 WeakPolarHBondContact CB-O 3.3Å; G103-M128 VanDerWaalsContact O-CE 3.27Å; G103-M128 WeakPolarHBondContact O-CE 3.23Å; V104-M128 HydrophobicContact CG1-CE 3.89Å; R114-M128 PolarHBondContact NH2-O 2.94Å; F116-M128 HydrophobicContact CE1-CG 4.28Å; F116-M128 HydrophobicContact CZ-CG 3.88Å; M128-N213 HydrophobicContact CG-CB 4.48Å; M128-N213 WeakPolarHBondContact CG-OD1 3.47Å; M128-N213 PolarHBondContact N-OD1 3.13Å; M128-N213 HydrophobicContact SD-CB 4.34Å; M128-E215 HydrophobicContact CE-CG 4.2Å
129	D	97.2	Very high	96.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.258	C	S	.	.	S	Bend	trans	-111.1	100.3	168.1	-170.9	-12.4	0	0	0	109.9	R56 H76 R127 T131 R132	R56-D129 VanDerWaalsContact O-CB 3.23Å; R56-D129 WeakPolarHBondContact O-CB 3.3Å; H76-D129 IonicContact CE1-OD2 3.21Å; H76-D129 IonicContact NE2-OD2 3.92Å; H76-D129 PolarHBondContact NE2-OD2 3.38Å; R127-D129 VanDerWaalsContact C-N 3.29Å; D129-T131 VanDerWaalsContact CG-OG1 3.27Å; D129-T131 PolarHBondContact O-N 3.02Å; D129-T131 WeakPolarHBondContact OD1-CB 3.33Å; D129-T131 WeakPolarHBondContact OD1-CG2 3.37Å; D129-T131 PolarHBondContact OD1-N 3.38Å; D129-T131 PolarHBondContact OD1-OG1 2.66Å; D129-T131 PolarHBondContact OD2-OG1 2.92Å; D129-R132 HydrophobicContact CB-CG 4.07Å; D129-R132 PolarHBondContact O-N 2.86Å; D129-R132 VanDerWaalsContact O-O 3.12Å; D129-R132 IonicContact OD2-CZ 3.03Å; D129-R132 VanDerWaalsContact OD2-CZ 3.25Å; D129-R132 IonicContact OD2-NE 2.8Å; D129-R132 PolarHBondContact OD2-NE 3.05Å; D129-R132 IonicContact OD2-NH2 2.72Å; D129-R132 PolarHBondContact OD2-NH2 3.05Å; D129-R132 VanDerWaalsContact OD2-NH2 3.11Å
130	P	95.9	Very high	97.3	Very high	56 Å²	56	42.1 Å²	42.1	36%	0.364	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-5.8	-179.1	30	-35.2	0	0	0	113.5	R132	P130-R132 VanDerWaalsContact C-N 3.34Å
131	T	94.9	Very high	97.5	Very high	99 Å²	99	39 Å²	39	61%	0.607	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-10.1	179.5	70.9	0	0	0	0	113.5	P58 D129	P58-T131 HydrophobicContact CG-CG2 4.11Å; D129-T131 VanDerWaalsContact CG-OG1 3.27Å; D129-T131 PolarHBondContact O-N 3.02Å; D129-T131 WeakPolarHBondContact OD1-CB 3.33Å; D129-T131 WeakPolarHBondContact OD1-CG2 3.37Å; D129-T131 PolarHBondContact OD1-N 3.38Å; D129-T131 PolarHBondContact OD1-OG1 2.66Å; D129-T131 PolarHBondContact OD2-OG1 2.92Å
132	R	93.7	Very high	97.4	Very high	120 Å²	120	41.5 Å²	41.5	45%	0.453	23%	0.232	S	C	.	.	S	Bend	trans	-145.7	161.4	-175.8	70.1	-176.4	77.9	-172.3	7.1	112.5	R127 D129 P130	R127-R132 WeakPolarHBondContact CD-O 3.48Å; D129-R132 HydrophobicContact CB-CG 4.07Å; D129-R132 PolarHBondContact O-N 2.86Å; D129-R132 VanDerWaalsContact O-O 3.12Å; D129-R132 IonicContact OD2-CZ 3.03Å; D129-R132 VanDerWaalsContact OD2-CZ 3.25Å; D129-R132 IonicContact OD2-NE 2.8Å; D129-R132 PolarHBondContact OD2-NE 3.05Å; D129-R132 IonicContact OD2-NH2 2.72Å; D129-R132 PolarHBondContact OD2-NH2 3.05Å; D129-R132 VanDerWaalsContact OD2-NH2 3.11Å; P130-R132 VanDerWaalsContact C-N 3.34Å
133	G	94.1	Very high	97.5	Very high	65 Å²	65	42.4 Å²	42.4	67%	0.67	24%	0.239	S	C	*	.	S	Bend	trans	74	-179.2	176.6	0	0	0	0	0	113.7	R127	R127-G133 PolarHBondContact NH1-O 3.02Å
134	Q	97.3	Very high	97.5	Very high	83 Å²	83	47 Å²	47	39%	0.388	26%	0.257	S	S	.	.			trans	-94.1	131.8	-176.5	-169.5	178.3	34.6	0	0	110.4	E138 W139 T142	Q134-E138 HydrophobicContact CG-CB 3.41Å; Q134-E138 VanDerWaalsContact CG-CB 3.41Å; Q134-E138 VanDerWaalsContact NE2-C 3.28Å; Q134-E138 PolarHBondContact NE2-O 3.32Å; Q134-W139 VanDerWaalsContact CD-CA 3.42Å; Q134-W139 HydrophobicContact CG-CB 4.16Å; Q134-T142 PolarHBondContact NE2-OG1 2.93Å
135	S	98.5	Very high	97.5	Very high	10 Å²	10	50.7 Å²	50.7	7%	0.07	27%	0.274	C	S	.	.			trans	-66.6	162.4	172.9	61.9	0	0	0	0	112	A137 E138 W139	S135-A137 VanDerWaalsContact C-N 3.3Å; S135-A137 PolarHBondContact O-N 3.4Å; S135-E138 WeakPolarHBondContact CB-OE2 3.34Å; S135-E138 PolarHBondContact N-OE2 2.99Å; S135-E138 PolarHBondContact O-N 3.35Å; S135-E138 WeakPolarHBondContact OG-CB 3.42Å; S135-E138 WeakPolarHBondContact OG-CG 3.08Å; S135-E138 PolarHBondContact OG-N 3.33Å; S135-E138 PolarHBondContact OG-OE2 3.08Å; S135-W139 WeakPolarHBondContact O-CB 3.49Å; S135-W139 PolarHBondContact O-N 3.3Å
136	A	98.7	Very high	97.5	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-58.5	-40.7	174.3	0	0	0	0	0	112.2	L124 D125 M126 W139 L140 V208 V212	L124-A136 HydrophobicContact CD1-CB 4.04Å; L124-A136 HydrophobicContact CG-CB 4Å; D125-A136 WeakPolarHBondContact O-CB 3.3Å; D125-A136 PolarHBondContact O-N 2.61Å; M126-A136 HydrophobicContact CB-CB 4.08Å; M126-A136 HydrophobicContact CG-CB 3.97Å; M126-A136 HydrophobicContact SD-CB 3.94Å; A136-W139 PolarHBondContact O-N 3.17Å; A136-L140 VanDerWaalsContact O-CB 3.32Å; A136-L140 WeakPolarHBondContact O-CB 3.43Å; A136-L140 WeakPolarHBondContact O-CG 3.33Å; A136-L140 PolarHBondContact O-N 3.32Å; A136-V208 HydrophobicContact CB-CG1 3.64Å; A136-V212 HydrophobicContact CB-CG2 4.13Å
137	A	98.7	Very high	97.5	Very high	18 Å²	18	56.4 Å²	56.4	15%	0.149	31%	0.314	C	S	.	.	H	α-helix	trans	-60.5	-51.1	176	0	0	0	0	0	111.6	L124 S135 W139 L140 Q141	L124-A137 HydrophobicContact CB-CB 4.07Å; L124-A137 HydrophobicContact CD2-CB 4.34Å; L124-A137 HydrophobicContact CG-CB 4.23Å; L124-A137 WeakPolarHBondContact O-CB 3.46Å; L124-A137 PolarHBondContact O-N 2.89Å; S135-A137 VanDerWaalsContact C-N 3.3Å; S135-A137 PolarHBondContact O-N 3.4Å; A137-W139 PolarHBondContact O-N 2.79Å; A137-L140 PolarHBondContact O-N 3.33Å; A137-Q141 WeakPolarHBondContact O-CB 3.32Å; A137-Q141 PolarHBondContact O-N 2.87Å
138	E	98.5	Very high	97.5	Very high	97 Å²	97	54.5 Å²	54.5	45%	0.453	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-44.6	179.2	-71.6	164	143.9	0	0	111.1	Q134 S135 Q141 T142	Q134-E138 HydrophobicContact CG-CB 3.41Å; Q134-E138 VanDerWaalsContact CG-CB 3.41Å; Q134-E138 VanDerWaalsContact NE2-C 3.28Å; Q134-E138 PolarHBondContact NE2-O 3.32Å; S135-E138 WeakPolarHBondContact CB-OE2 3.34Å; S135-E138 PolarHBondContact N-OE2 2.99Å; S135-E138 PolarHBondContact O-N 3.35Å; S135-E138 WeakPolarHBondContact OG-CB 3.42Å; S135-E138 WeakPolarHBondContact OG-CG 3.08Å; S135-E138 PolarHBondContact OG-N 3.33Å; S135-E138 PolarHBondContact OG-OE2 3.08Å; E138-Q141 PolarHBondContact O-N 2.73Å; E138-T142 PolarHBondContact O-N 3.43Å; E138-T142 VanDerWaalsContact O-N 3.14Å; E138-T142 PolarHBondContact O-OG1 2.84Å; E138-T142 VanDerWaalsContact O-OG1 3.07Å
139	W	98.6	Very high	97.6	Very high	11 Å²	11	54.3 Å²	54.3	4%	0.042	31%	0.308	C	S	.	.	H	α-helix	trans	-62.5	-50.1	179.3	172	60.7	0	0	0	111.6	Q134 S135 A136 A137 Q141 T142 A143 I148 V151 V208 W211 V212	Q134-W139 VanDerWaalsContact CD-CA 3.42Å; Q134-W139 HydrophobicContact CG-CB 4.16Å; S135-W139 WeakPolarHBondContact O-CB 3.49Å; S135-W139 PolarHBondContact O-N 3.3Å; A136-W139 PolarHBondContact O-N 3.17Å; A137-W139 PolarHBondContact O-N 2.79Å; W139-Q141 PolarHBondContact O-N 2.8Å; W139-T142 PolarHBondContact O-N 3.01Å; W139-T142 VanDerWaalsContact O-N 3.13Å; W139-T142 PolarHBondContact O-OG1 3.1Å; W139-A143 HydrophobicContact CZ2-CB 4.38Å; W139-A143 WeakPolarHBondContact O-CB 3.48Å; W139-A143 PolarHBondContact O-N 3.24Å; W139-I148 HydrophobicContact CH2-CG1 4.4Å; W139-I148 HydrophobicContact CZ2-CG1 4.23Å; W139-V151 HydrophobicContact CH2-CB 3.86Å; W139-V151 HydrophobicContact CH2-CG1 3.54Å; W139-V151 HydrophobicContact CH2-CG2 3.99Å; W139-V151 HydrophobicContact CZ2-CB 4.19Å; W139-V151 HydrophobicContact CZ2-CG1 4.26Å; W139-V151 HydrophobicContact CZ2-CG2 3.83Å; W139-V151 HydrophobicContact CZ3-CG1 4.3Å; W139-V208 HydrophobicContact CE3-CG1 4.05Å; W139-V208 HydrophobicContact CZ3-CB 4.17Å; W139-V208 HydrophobicContact CZ3-CG1 3.89Å; W139-V208 HydrophobicContact CZ3-CG2 3.96Å; W139-W211 AromaticContact CD1-NE1 3.37Å; W139-W211 AromaticContact CD2-CD1 3.38Å; W139-W211 AromaticContact CD2-NE1 3.5Å; W139-W211 AromaticContact CE2-CD1 3.25Å; W139-W211 AromaticContact CE2-CE2 3.87Å; W139-W211 AromaticContact CE2-NE1 3.04Å; W139-W211 AromaticContact CE3-CD1 3.72Å; W139-W211 AromaticContact CG-CD1 3.94Å; W139-W211 AromaticContact CG-NE1 3.74Å; W139-W211 AromaticContact CH2-CD1 3.88Å; W139-W211 HydrophobicContact CH2-CG 4.23Å; W139-W211 AromaticContact CZ2-CD1 3.54Å; W139-W211 HydrophobicContact CZ2-CD2 4.4Å; W139-W211 HydrophobicContact CZ2-CG 4.05Å; W139-W211 AromaticContact CZ2-NE1 3.56Å; W139-W211 AromaticContact CZ3-CD1 3.94Å; W139-W211 HydrophobicContact CZ3-CG 4.5Å; W139-W211 AromaticContact NE1-CD1 3.66Å; W139-W211 AromaticContact NE1-CE2 3.69Å; W139-W211 AromaticContact NE1-NE1 2.93Å; W139-V212 HydrophobicContact CE3-CG2 4.36Å
140	L	98.7	Very high	97.7	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	33%	0.331	C	S	.	.	H	α-helix	trans	-65.3	-24.2	179.7	-68.1	173.3	0	0	0	112.9	L124 A136 A137 I148 I168 N172 L183 V208	L124-L140 HydrophobicContact CD2-CD1 4.13Å; A136-L140 VanDerWaalsContact O-CB 3.32Å; A136-L140 WeakPolarHBondContact O-CB 3.43Å; A136-L140 WeakPolarHBondContact O-CG 3.33Å; A136-L140 PolarHBondContact O-N 3.32Å; A137-L140 PolarHBondContact O-N 3.33Å; L140-I148 HydrophobicContact CD2-CD1 4.3Å; L140-I148 HydrophobicContact CD2-CG1 4.31Å; L140-I148 HydrophobicContact CD2-CG2 4.3Å; L140-I168 HydrophobicContact CB-CG2 4.25Å; L140-I168 HydrophobicContact CD2-CD1 4.49Å; L140-I168 HydrophobicContact CD2-CG2 4.2Å; L140-N172 VanDerWaalsContact C-ND2 3.28Å; L140-N172 PolarHBondContact O-ND2 3.19Å; L140-L183 HydrophobicContact CD1-CD1 4.04Å; L140-L183 HydrophobicContact CD1-CD2 3.92Å; L140-V208 HydrophobicContact CD2-CG2 4.47Å
141	Q	98.2	Very high	97.8	Very high	82 Å²	82	57.7 Å²	57.7	38%	0.383	31%	0.314	S	S	.	.	H	α-helix	trans	-74.2	-36.8	174.1	-176.6	61.4	30.7	0	0	112.2	A137 E138 W139 N172 P176	A137-Q141 WeakPolarHBondContact O-CB 3.32Å; A137-Q141 PolarHBondContact O-N 2.87Å; E138-Q141 PolarHBondContact O-N 2.73Å; W139-Q141 PolarHBondContact O-N 2.8Å; Q141-N172 PolarHBondContact NE2-O 2.8Å; Q141-N172 VanDerWaalsContact OE1-CG 3.25Å; Q141-N172 PolarHBondContact OE1-O 3.42Å; Q141-P176 VanDerWaalsContact OE1-CB 3.31Å
142	T	97.4	Very high	98	Very high	98 Å²	98	53 Å²	53	60%	0.601	29%	0.285	S	S	*	.	H	α-helix	trans	-100.5	-22.8	-171.7	58.6	0	0	0	0	114.8	Q134 E138 W139	Q134-T142 PolarHBondContact NE2-OG1 2.93Å; E138-T142 PolarHBondContact O-N 3.43Å; E138-T142 VanDerWaalsContact O-N 3.14Å; E138-T142 PolarHBondContact O-OG1 2.84Å; E138-T142 VanDerWaalsContact O-OG1 3.07Å; W139-T142 PolarHBondContact O-N 3.01Å; W139-T142 VanDerWaalsContact O-N 3.13Å; W139-T142 PolarHBondContact O-OG1 3.1Å
143	A	98	Very high	98.2	Very high	19 Å²	19	54.2 Å²	54.2	16%	0.157	29%	0.293	C	S	.	.	S	Bend	trans	-71.9	149.3	-175.4	0	0	0	0	0	112.9	W139 I148	W139-A143 HydrophobicContact CZ2-CB 4.38Å; W139-A143 WeakPolarHBondContact O-CB 3.48Å; W139-A143 PolarHBondContact O-N 3.24Å; A143-I148 HydrophobicContact CB-CD1 4.15Å; A143-I148 HydrophobicContact CB-CG1 3.84Å
144	E	98.1	Very high	98.3	Very high	138 Å²	138	53.6 Å²	53.6	65%	0.645	28%	0.276	S	S	*	.			trans	-71.2	151.4	174.2	-61.5	-169.4	178	0	0	111.5	A146 D147 I148	E144-A146 PolarHBondContact O-N 2.71Å; E144-D147 PolarHBondContact O-N 2.92Å; E144-D147 VanDerWaalsContact O-N 3.11Å; E144-I148 WeakPolarHBondContact O-CG1 3.35Å; E144-I148 PolarHBondContact O-N 2.8Å
145	E	98.6	Very high	98.3	Very high	82 Å²	82	50.3 Å²	50.3	38%	0.383	26%	0.261	S	S	.	.	H	α-helix	trans	-55.2	-39.2	178.6	-172.9	-174	137.3	0	0	112	A149 A165 R166 V169	E145-A149 WeakPolarHBondContact O-CB 3.47Å; E145-A149 PolarHBondContact O-N 3.37Å; E145-A165 HydrophobicContact CG-CB 4.09Å; E145-A165 WeakPolarHBondContact O-CB 3.18Å; E145-R166 HydrophobicContact CG-CB 4.47Å; E145-V169 HydrophobicContact CB-CG2 4.03Å; E145-V169 HydrophobicContact CG-CG2 4.4Å
146	A	98.6	Very high	98.1	Very high	66 Å²	66	50 Å²	50	55%	0.545	26%	0.258	S	S	.	.	H	α-helix	trans	-64.9	-40.4	-179.8	0	0	0	0	0	112.2	E144 A149 W150	E144-A146 PolarHBondContact O-N 2.71Å; A146-A149 PolarHBondContact O-N 2.86Å; A146-W150 WeakPolarHBondContact O-CB 3.43Å; A146-W150 PolarHBondContact O-N 3.17Å
147	D	98.6	Very high	97.9	Very high	82 Å²	82	54.5 Å²	54.5	44%	0.439	28%	0.28	S	S	.	.	H	α-helix	trans	-68.7	-45.2	178.7	-65.9	-28	0	0	0	111	E144 A149 W150 V151	E144-D147 PolarHBondContact O-N 2.92Å; E144-D147 VanDerWaalsContact O-N 3.11Å; D147-A149 VanDerWaalsContact C-N 3.32Å; D147-A149 PolarHBondContact O-N 2.76Å; D147-W150 PolarHBondContact O-N 3.4Å; D147-W150 VanDerWaalsContact O-N 3.15Å; D147-V151 WeakPolarHBondContact O-CG2 3.31Å; D147-V151 PolarHBondContact O-N 2.76Å
148	I	98.8	Very high	97.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58	-48.3	174.3	-62.2	168.2	0	0	0	109.3	W139 L140 A143 E144 W150 V151 L152 A165 I168 V169	W139-I148 HydrophobicContact CH2-CG1 4.4Å; W139-I148 HydrophobicContact CZ2-CG1 4.23Å; L140-I148 HydrophobicContact CD2-CD1 4.3Å; L140-I148 HydrophobicContact CD2-CG1 4.31Å; L140-I148 HydrophobicContact CD2-CG2 4.3Å; A143-I148 HydrophobicContact CB-CD1 4.15Å; A143-I148 HydrophobicContact CB-CG1 3.84Å; E144-I148 WeakPolarHBondContact O-CG1 3.35Å; E144-I148 PolarHBondContact O-N 2.8Å; I148-W150 VanDerWaalsContact C-N 3.28Å; I148-W150 PolarHBondContact O-N 3.46Å; I148-V151 PolarHBondContact O-N 3.11Å; I148-L152 HydrophobicContact CG2-CD1 3.97Å; I148-L152 HydrophobicContact CG2-CG 4.17Å; I148-L152 WeakPolarHBondContact O-CB 3.4Å; I148-L152 VanDerWaalsContact O-CG 3.23Å; I148-L152 WeakPolarHBondContact O-CG 3.42Å; I148-L152 PolarHBondContact O-N 3.45Å; I148-A165 HydrophobicContact CB-CB 3.94Å; I148-A165 HydrophobicContact CG2-CB 3.69Å; I148-I168 HydrophobicContact CD1-CG2 4.18Å; I148-I168 HydrophobicContact CG2-CD1 4.18Å; I148-V169 HydrophobicContact CD1-CG2 3.87Å
149	A	98.7	Very high	97.5	Very high	13 Å²	13	59.5 Å²	59.5	11%	0.107	29%	0.291	C	S	.	.	H	α-helix	trans	-60.5	-38	178.7	0	0	0	0	0	112.4	E145 A146 D147 K153 A161 K162 A165	E145-A149 WeakPolarHBondContact O-CB 3.47Å; E145-A149 PolarHBondContact O-N 3.37Å; A146-A149 PolarHBondContact O-N 2.86Å; D147-A149 VanDerWaalsContact C-N 3.32Å; D147-A149 PolarHBondContact O-N 2.76Å; A149-K153 VanDerWaalsContact O-CB 3.24Å; A149-K153 WeakPolarHBondContact O-CB 3.44Å; A149-K153 PolarHBondContact O-N 2.86Å; A149-A161 WeakPolarHBondContact O-CB 3.4Å; A149-K162 HydrophobicContact CB-CG 4.21Å; A149-A165 HydrophobicContact CB-CB 3.74Å
150	W	98.7	Very high	97.4	Very high	127 Å²	127	61.7 Å²	61.7	48%	0.481	30%	0.301	S	S	.	.	H	α-helix	trans	-66.3	-47.5	176.4	179.9	90.3	0	0	0	111.6	A146 D147 I148 L152 K153 T154 Y155 W211	A146-W150 WeakPolarHBondContact O-CB 3.43Å; A146-W150 PolarHBondContact O-N 3.17Å; D147-W150 PolarHBondContact O-N 3.4Å; D147-W150 VanDerWaalsContact O-N 3.15Å; I148-W150 VanDerWaalsContact C-N 3.28Å; I148-W150 PolarHBondContact O-N 3.46Å; W150-L152 PolarHBondContact O-N 2.93Å; W150-K153 PolarHBondContact O-N 2.95Å; W150-T154 HydrophobicContact CH2-CG2 4.33Å; W150-T154 HydrophobicContact CZ2-CG2 4.05Å; W150-T154 VanDerWaalsContact O-CB 3.27Å; W150-T154 WeakPolarHBondContact O-CB 3.43Å; W150-T154 PolarHBondContact O-N 2.8Å; W150-T154 PolarHBondContact O-OG1 3.29Å; W150-Y155 HydrophobicContact CE3-CE2 4.48Å; W150-Y155 HydrophobicContact CH2-CE2 4.02Å; W150-Y155 AromaticContact CH2-CZ 3.77Å; W150-Y155 WeakPolarHBondContact CH2-OH 3.26Å; W150-Y155 AromaticContact CZ3-CE2 3.58Å; W150-Y155 HydrophobicContact CZ3-CE2 3.58Å; W150-Y155 AromaticContact CZ3-CZ 3.83Å; W150-W211 HydrophobicContact CZ3-CE3 4.42Å; W150-W211 AromaticContact CZ3-CZ3 3.93Å; W150-W211 HydrophobicContact CZ3-CZ3 3.93Å
151	V	98.6	Very high	97.3	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-57.2	-51.1	176.7	160.8	0	0	0	0	110.9	W139 D147 I148 K153 T154 Y155 A207 W211	W139-V151 HydrophobicContact CH2-CB 3.86Å; W139-V151 HydrophobicContact CH2-CG1 3.54Å; W139-V151 HydrophobicContact CH2-CG2 3.99Å; W139-V151 HydrophobicContact CZ2-CB 4.19Å; W139-V151 HydrophobicContact CZ2-CG1 4.26Å; W139-V151 HydrophobicContact CZ2-CG2 3.83Å; W139-V151 HydrophobicContact CZ3-CG1 4.3Å; D147-V151 WeakPolarHBondContact O-CG2 3.31Å; D147-V151 PolarHBondContact O-N 2.76Å; I148-V151 PolarHBondContact O-N 3.11Å; V151-K153 VanDerWaalsContact C-N 3.31Å; V151-K153 PolarHBondContact O-N 2.78Å; V151-T154 PolarHBondContact O-N 2.83Å; V151-Y155 HydrophobicContact CB-CD2 4.35Å; V151-Y155 HydrophobicContact CG1-CD2 4.05Å; V151-Y155 HydrophobicContact CG2-CD2 4.36Å; V151-Y155 HydrophobicContact CG2-CE2 4.28Å; V151-Y155 PolarHBondContact O-N 2.95Å; V151-A207 HydrophobicContact CG1-CB 4.11Å; V151-W211 HydrophobicContact CG1-CB 3.81Å; V151-W211 HydrophobicContact CG1-CG 4.26Å; V151-W211 HydrophobicContact CG2-CB 4.24Å; V151-W211 HydrophobicContact CG2-CD2 3.6Å; V151-W211 HydrophobicContact CG2-CE3 3.61Å; V151-W211 HydrophobicContact CG2-CG 3.92Å; V151-W211 HydrophobicContact CG2-CZ3 4.08Å
152	L	98.6	Very high	97.3	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-59.9	-41.4	179.9	-65.4	-176.2	0	0	0	112	I148 W150 G156 E157 E158 A161 I164 I168 T204 A207 V208	I148-L152 HydrophobicContact CG2-CD1 3.97Å; I148-L152 HydrophobicContact CG2-CG 4.17Å; I148-L152 WeakPolarHBondContact O-CB 3.4Å; I148-L152 VanDerWaalsContact O-CG 3.23Å; I148-L152 WeakPolarHBondContact O-CG 3.42Å; I148-L152 PolarHBondContact O-N 3.45Å; W150-L152 PolarHBondContact O-N 2.93Å; L152-G156 CarbonylContact O-C 3.1Å; L152-G156 VanDerWaalsContact O-CA 3.27Å; L152-G156 WeakPolarHBondContact O-CA 3.35Å; L152-G156 PolarHBondContact O-N 2.85Å; L152-G156 VanDerWaalsContact O-N 3.17Å; L152-E157 PolarHBondContact O-N 2.81Å; L152-E158 HydrophobicContact CB-CB 4.21Å; L152-E158 VanDerWaalsContact O-CB 3.25Å; L152-E158 WeakPolarHBondContact O-CB 3.28Å; L152-E158 PolarHBondContact O-N 2.82Å; L152-E158 VanDerWaalsContact O-N 3.12Å; L152-A161 HydrophobicContact CB-CB 3.82Å; L152-I164 HydrophobicContact CD1-CB 3.93Å; L152-I164 HydrophobicContact CD1-CG2 3.57Å; L152-I168 HydrophobicContact CD1-CD1 4.44Å; L152-T204 HydrophobicContact CD2-CG2 3.6Å; L152-A207 HydrophobicContact CD2-CB 4Å; L152-V208 HydrophobicContact CD2-CG2 4.32Å
153	K	98	Very high	97.4	Very high	145 Å²	145	68.4 Å²	68.4	63%	0.63	32%	0.317	S	S	*	.	H	α-helix	trans	-69.7	-45.5	178.9	-176.3	-178.8	176	-172.8	0	112	A149 W150 V151 E157 A161	A149-K153 VanDerWaalsContact O-CB 3.24Å; A149-K153 WeakPolarHBondContact O-CB 3.44Å; A149-K153 PolarHBondContact O-N 2.86Å; W150-K153 PolarHBondContact O-N 2.95Å; V151-K153 VanDerWaalsContact C-N 3.31Å; V151-K153 PolarHBondContact O-N 2.78Å; K153-E157 VanDerWaalsContact O-CA 3.26Å; K153-E157 WeakPolarHBondContact O-CA 3.44Å; K153-E157 PolarHBondContact O-N 2.84Å; K153-A161 HydrophobicContact CB-CB 3.83Å
154	T	97.4	Very high	97.4	Very high	52 Å²	52	67.5 Å²	67.5	32%	0.319	31%	0.31	S	S	.	.	H	α-helix	trans	-79.4	-46.6	-170.7	-59.6	0	0	0	0	111.7	W150 V151	W150-T154 HydrophobicContact CH2-CG2 4.33Å; W150-T154 HydrophobicContact CZ2-CG2 4.05Å; W150-T154 VanDerWaalsContact O-CB 3.27Å; W150-T154 WeakPolarHBondContact O-CB 3.43Å; W150-T154 PolarHBondContact O-N 2.8Å; W150-T154 PolarHBondContact O-OG1 3.29Å; V151-T154 PolarHBondContact O-N 2.83Å
155	Y	97.2	Very high	97.4	Very high	15 Å²	15	60.9 Å²	60.9	6%	0.059	28%	0.279	C	S	.	.	H	α-helix	trans	-97.3	-22.7	-174.1	-55.4	-49.1	0	0	0	113.7	W150 V151 Q206 I210 W211 L216 E217 L244	W150-Y155 HydrophobicContact CE3-CE2 4.48Å; W150-Y155 HydrophobicContact CH2-CE2 4.02Å; W150-Y155 AromaticContact CH2-CZ 3.77Å; W150-Y155 WeakPolarHBondContact CH2-OH 3.26Å; W150-Y155 AromaticContact CZ3-CE2 3.58Å; W150-Y155 HydrophobicContact CZ3-CE2 3.58Å; W150-Y155 AromaticContact CZ3-CZ 3.83Å; V151-Y155 HydrophobicContact CB-CD2 4.35Å; V151-Y155 HydrophobicContact CG1-CD2 4.05Å; V151-Y155 HydrophobicContact CG2-CD2 4.36Å; V151-Y155 HydrophobicContact CG2-CE2 4.28Å; V151-Y155 PolarHBondContact O-N 2.95Å; Y155-Q206 PolarHBondContact O-NE2 3.14Å; Y155-I210 HydrophobicContact CD1-CG2 3.84Å; Y155-I210 HydrophobicContact CD2-CG2 4.09Å; Y155-I210 HydrophobicContact CE1-CG2 4.33Å; Y155-I210 HydrophobicContact CG-CB 4.38Å; Y155-I210 HydrophobicContact CG-CG2 3.68Å; Y155-W211 AromaticContact CE2-CE3 3.75Å; Y155-W211 HydrophobicContact CE2-CE3 3.75Å; Y155-W211 HydrophobicContact CE2-CZ3 4.37Å; Y155-L216 HydrophobicContact CD1-CD1 3.66Å; Y155-L216 HydrophobicContact CE1-CD1 3.68Å; Y155-L216 HydrophobicContact CE1-CG 4.45Å; Y155-E217 PolarHBondContact OH-OE1 3.45Å; Y155-L244 VanDerWaalsContact O-CD1 3.31Å; Y155-L244 WeakPolarHBondContact O-CD1 3.33Å
156	G	94.4	Very high	97.4	Very high	2 Å²	2	63.5 Å²	63.5	2%	0.021	29%	0.285	C	S	.	.	H	α-helix	trans	-99.6	-12.2	176.5	0	0	0	0	0	114.2	L152 E158 R203	L152-G156 CarbonylContact O-C 3.1Å; L152-G156 VanDerWaalsContact O-CA 3.27Å; L152-G156 WeakPolarHBondContact O-CA 3.35Å; L152-G156 PolarHBondContact O-N 2.85Å; L152-G156 VanDerWaalsContact O-N 3.17Å; G156-E158 PolarHBondContact O-N 3.26Å; G156-R203 WeakPolarHBondContact CA-O 3.17Å; G156-R203 WeakPolarHBondContact O-CB 3.19Å; G156-R203 WeakPolarHBondContact O-CD 3.4Å; G156-R203 WeakPolarHBondContact O-CG 3.4Å
157	E	93.6	Very high	97.4	Very high	96 Å²	96	61.5 Å²	61.5	45%	0.449	27%	0.268	S	S	.	.			trans	51.3	36.4	-167.5	-59.1	-176.4	129.7	0	0	111.7	L152 K153 R247	L152-E157 PolarHBondContact O-N 2.81Å; K153-E157 VanDerWaalsContact O-CA 3.26Å; K153-E157 WeakPolarHBondContact O-CA 3.44Å; K153-E157 PolarHBondContact O-N 2.84Å; E157-R247 IonicContact OE1-NH2 3.22Å
158	E	94.5	Very high	97.4	Very high	12 Å²	12	57.6 Å²	57.6	6%	0.056	25%	0.248	C	C	.	.			trans	-79	121.9	-173.3	-175	44.2	-105.6	0	0	112.1	L152 G156 F160 A161 I164 R203	L152-E158 HydrophobicContact CB-CB 4.21Å; L152-E158 VanDerWaalsContact O-CB 3.25Å; L152-E158 WeakPolarHBondContact O-CB 3.28Å; L152-E158 PolarHBondContact O-N 2.82Å; L152-E158 VanDerWaalsContact O-N 3.12Å; G156-E158 PolarHBondContact O-N 3.26Å; E158-F160 PolarHBondContact OE1-N 2.83Å; E158-A161 HydrophobicContact CB-CB 4.21Å; E158-A161 HydrophobicContact CG-CB 4.36Å; E158-A161 WeakPolarHBondContact O-CB 3.46Å; E158-A161 PolarHBondContact O-N 3.5Å; E158-I164 HydrophobicContact CG-CD1 3.47Å; E158-I164 VanDerWaalsContact CG-CD1 3.47Å; E158-R203 WeakPolarHBondContact OE2-CB 3.4Å; E158-R203 WeakPolarHBondContact OE2-CD 3.24Å
159	R	93.5	Very high	97.4	Very high	208 Å²	208	58.4 Å²	58.4	79%	0.785	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-33.5	-177.7	-66.6	-176.9	178	179.9	-1	111.8	A161	R159-A161 VanDerWaalsContact C-N 3.33Å
160	F	96.4	Very high	97.4	Very high	56 Å²	56	61.5 Å²	61.5	25%	0.246	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	22.2	-179.9	-55	-68.7	0	0	0	112.4	E158 K162 R163 I164 T191 P192 V193	E158-F160 PolarHBondContact OE1-N 2.83Å; F160-K162 VanDerWaalsContact C-N 3.33Å; F160-K162 PolarHBondContact O-N 3.23Å; F160-R163 HydrophobicContact CB-CB 4.49Å; F160-R163 WeakPolarHBondContact O-CA 3.01Å; F160-R163 WeakPolarHBondContact O-CB 3.17Å; F160-R163 PolarHBondContact O-N 3.18Å; F160-I164 HydrophobicContact CB-CD1 4.01Å; F160-I164 HydrophobicContact CB-CG1 4.31Å; F160-I164 PolarHBondContact O-N 3.01Å; F160-T191 HydrophobicContact CD2-CG2 3.85Å; F160-T191 HydrophobicContact CE2-CG2 4.04Å; F160-P192 HydrophobicContact CD1-CG 4.17Å; F160-P192 HydrophobicContact CE1-CG 4.03Å; F160-P192 HydrophobicContact CZ-CG 4.42Å; F160-V193 HydrophobicContact CE2-CB 4.17Å; F160-V193 HydrophobicContact CZ-CB 3.97Å; F160-V193 HydrophobicContact CZ-CG2 4Å
161	A	98	Very high	97.4	Very high	5 Å²	5	58 Å²	58	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-49.1	-48.3	-171.6	0	0	0	0	0	113.7	A149 L152 K153 E158 R159 R163 I164 A165	A149-A161 WeakPolarHBondContact O-CB 3.4Å; L152-A161 HydrophobicContact CB-CB 3.82Å; K153-A161 HydrophobicContact CB-CB 3.83Å; E158-A161 HydrophobicContact CB-CB 4.21Å; E158-A161 HydrophobicContact CG-CB 4.36Å; E158-A161 WeakPolarHBondContact O-CB 3.46Å; E158-A161 PolarHBondContact O-N 3.5Å; R159-A161 VanDerWaalsContact C-N 3.33Å; A161-R163 PolarHBondContact O-N 3.34Å; A161-I164 PolarHBondContact O-N 2.99Å; A161-A165 VanDerWaalsContact O-CB 3.27Å; A161-A165 WeakPolarHBondContact O-CB 3.4Å; A161-A165 PolarHBondContact O-N 3.11Å
162	K	98.3	Very high	97.3	Very high	171 Å²	171	58.4 Å²	58.4	74%	0.743	25%	0.254	S	S	*	.	H	α-helix	trans	-60.9	-42.6	177.6	-66.6	-172.6	176.7	-171.5	0	112.8	A149 F160 R166	A149-K162 HydrophobicContact CB-CG 4.21Å; F160-K162 VanDerWaalsContact C-N 3.33Å; F160-K162 PolarHBondContact O-N 3.23Å; K162-R166 WeakPolarHBondContact O-CB 3.43Å; K162-R166 PolarHBondContact O-N 2.82Å
163	R	98.4	Very high	97.3	Very high	147 Å²	147	67.5 Å²	67.5	56%	0.555	29%	0.288	S	S	*	.	H	α-helix	trans	-68.9	-41.5	-178.8	-177.4	175.8	174.5	113.4	3.7	111.3	F160 A161 A167 A190	F160-R163 HydrophobicContact CB-CB 4.49Å; F160-R163 WeakPolarHBondContact O-CA 3.01Å; F160-R163 WeakPolarHBondContact O-CB 3.17Å; F160-R163 PolarHBondContact O-N 3.18Å; A161-R163 PolarHBondContact O-N 3.34Å; R163-A167 PolarHBondContact O-N 3.38Å; R163-A167 VanDerWaalsContact O-N 3.1Å; R163-A190 WeakPolarHBondContact CD-O 3.17Å; R163-A190 HydrophobicContact CG-CB 4.5Å; R163-A190 PolarHBondContact NE-O 3.03Å
164	I	98.5	Very high	97.2	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-44.8	176.6	-66.9	161.7	0	0	0	110.4	L152 E158 F160 A161 R166 A167 I168 V187 A190	L152-I164 HydrophobicContact CD1-CB 3.93Å; L152-I164 HydrophobicContact CD1-CG2 3.57Å; E158-I164 HydrophobicContact CG-CD1 3.47Å; E158-I164 VanDerWaalsContact CG-CD1 3.47Å; F160-I164 HydrophobicContact CB-CD1 4.01Å; F160-I164 HydrophobicContact CB-CG1 4.31Å; F160-I164 PolarHBondContact O-N 3.01Å; A161-I164 PolarHBondContact O-N 2.99Å; I164-R166 PolarHBondContact O-N 3.42Å; I164-A167 PolarHBondContact O-N 3.4Å; I164-I168 HydrophobicContact CG2-CD1 3.79Å; I164-I168 HydrophobicContact CG2-CG1 4.37Å; I164-I168 WeakPolarHBondContact O-CG1 3.43Å; I164-I168 PolarHBondContact O-N 3.04Å; I164-V187 HydrophobicContact CD1-CG1 4.04Å; I164-V187 HydrophobicContact CG1-CG1 4.37Å; I164-V187 HydrophobicContact CG2-CB 4.45Å; I164-V187 HydrophobicContact CG2-CG1 4.36Å; I164-V187 HydrophobicContact CG2-CG2 3.79Å; I164-A190 HydrophobicContact CB-CB 4.49Å; I164-A190 HydrophobicContact CG1-CB 3.93Å
165	A	98.7	Very high	97.2	Very high	0 Å²	0	71.3 Å²	71.3	0%	0	30%	0.304	C	S	.	.	H	α-helix	trans	-58	-47.2	177.1	0	0	0	0	0	112.1	E145 I148 A149 A161 A167 I168 V169	E145-A165 HydrophobicContact CG-CB 4.09Å; E145-A165 WeakPolarHBondContact O-CB 3.18Å; I148-A165 HydrophobicContact CB-CB 3.94Å; I148-A165 HydrophobicContact CG2-CB 3.69Å; A149-A165 HydrophobicContact CB-CB 3.74Å; A161-A165 VanDerWaalsContact O-CB 3.27Å; A161-A165 WeakPolarHBondContact O-CB 3.4Å; A161-A165 PolarHBondContact O-N 3.11Å; A165-A167 PolarHBondContact O-N 3.29Å; A165-I168 WeakPolarHBondContact O-CB 3.07Å; A165-I168 PolarHBondContact O-N 3.3Å; A165-V169 WeakPolarHBondContact O-CG2 3.34Å; A165-V169 PolarHBondContact O-N 3.19Å
166	R	98.6	Very high	97.2	Very high	137 Å²	137	73.6 Å²	73.6	52%	0.517	32%	0.321	S	S	.	.	H	α-helix	trans	-56.7	-47.9	174.4	-177.4	176.8	168.4	174.6	0	112.1	E145 K162 I164 I168 V169 E170	E145-R166 HydrophobicContact CG-CB 4.47Å; K162-R166 WeakPolarHBondContact O-CB 3.43Å; K162-R166 PolarHBondContact O-N 2.82Å; I164-R166 PolarHBondContact O-N 3.42Å; R166-I168 VanDerWaalsContact C-N 3.31Å; R166-I168 PolarHBondContact O-N 3.14Å; R166-V169 PolarHBondContact O-N 3.23Å; R166-E170 HydrophobicContact CG-CG 4.35Å; R166-E170 IonicContact CZ-OE1 3.31Å; R166-E170 VanDerWaalsContact CZ-OE1 3.31Å; R166-E170 IonicContact NE-OE1 2.75Å; R166-E170 PolarHBondContact NE-OE1 3.03Å; R166-E170 IonicContact NE-OE2 3.94Å; R166-E170 IonicContact NH2-OE1 2.96Å; R166-E170 PolarHBondContact NH2-OE1 3.2Å; R166-E170 WeakPolarHBondContact O-CB 3.33Å; R166-E170 WeakPolarHBondContact O-CG 3.45Å; R166-E170 PolarHBondContact O-N 3.03Å
167	A	98.5	Very high	97.4	Very high	23 Å²	23	73.7 Å²	73.7	19%	0.19	32%	0.321	C	S	.	.	H	α-helix	trans	-63.3	-36.7	179.5	0	0	0	0	0	112.6	R163 I164 A165 R171 V186 A190	R163-A167 PolarHBondContact O-N 3.38Å; R163-A167 VanDerWaalsContact O-N 3.1Å; I164-A167 PolarHBondContact O-N 3.4Å; A165-A167 PolarHBondContact O-N 3.29Å; A167-R171 VanDerWaalsContact O-CB 3.24Å; A167-R171 WeakPolarHBondContact O-CB 3.41Å; A167-R171 PolarHBondContact O-N 3.38Å; A167-V186 HydrophobicContact CB-CG1 3.82Å; A167-A190 HydrophobicContact CB-CB 3.76Å
168	I	98.7	Very high	97.6	Very high	0 Å²	0	73 Å²	73	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.3	-49.1	173.9	-72.7	167	0	0	0	110.7	L140 I148 L152 I164 A165 R166 R171 N172 M177 L183 V186	L140-I168 HydrophobicContact CB-CG2 4.25Å; L140-I168 HydrophobicContact CD2-CD1 4.49Å; L140-I168 HydrophobicContact CD2-CG2 4.2Å; I148-I168 HydrophobicContact CD1-CG2 4.18Å; I148-I168 HydrophobicContact CG2-CD1 4.18Å; L152-I168 HydrophobicContact CD1-CD1 4.44Å; I164-I168 HydrophobicContact CG2-CD1 3.79Å; I164-I168 HydrophobicContact CG2-CG1 4.37Å; I164-I168 WeakPolarHBondContact O-CG1 3.43Å; I164-I168 PolarHBondContact O-N 3.04Å; A165-I168 WeakPolarHBondContact O-CB 3.07Å; A165-I168 PolarHBondContact O-N 3.3Å; R166-I168 VanDerWaalsContact C-N 3.31Å; R166-I168 PolarHBondContact O-N 3.14Å; I168-R171 PolarHBondContact O-N 2.92Å; I168-N172 WeakPolarHBondContact O-CB 3.21Å; I168-N172 PolarHBondContact O-N 2.99Å; I168-M177 HydrophobicContact CB-CE 4.17Å; I168-M177 HydrophobicContact CG1-CE 4.16Å; I168-M177 HydrophobicContact CG2-CE 3.69Å; I168-L183 HydrophobicContact CD1-CD1 3.81Å; I168-L183 HydrophobicContact CG1-CD1 3.94Å; I168-V186 HydrophobicContact CG1-CG1 4.03Å
169	V	98.6	Very high	97.8	Very high	18 Å²	18	77.1 Å²	77.1	11%	0.109	34%	0.339	C	S	.	.	H	α-helix	trans	-65.3	-43.6	-179.4	172.3	0	0	0	0	111.4	E145 I148 A165 R166 N172 R173	E145-V169 HydrophobicContact CB-CG2 4.03Å; E145-V169 HydrophobicContact CG-CG2 4.4Å; I148-V169 HydrophobicContact CD1-CG2 3.87Å; A165-V169 WeakPolarHBondContact O-CG2 3.34Å; A165-V169 PolarHBondContact O-N 3.19Å; R166-V169 PolarHBondContact O-N 3.23Å; V169-N172 PolarHBondContact O-N 2.88Å; V169-R173 WeakPolarHBondContact O-CG 3.27Å; V169-R173 PolarHBondContact O-N 2.69Å
170	E	98.3	Very high	98	Very high	77 Å²	77	67.2 Å²	67.2	36%	0.36	30%	0.301	S	S	.	.	H	α-helix	trans	-60.2	-48	175.6	-74.1	174.4	169.2	0	0	111	R166 N172 R173 E174	R166-E170 HydrophobicContact CG-CG 4.35Å; R166-E170 IonicContact CZ-OE1 3.31Å; R166-E170 VanDerWaalsContact CZ-OE1 3.31Å; R166-E170 IonicContact NE-OE1 2.75Å; R166-E170 PolarHBondContact NE-OE1 3.03Å; R166-E170 IonicContact NE-OE2 3.94Å; R166-E170 IonicContact NH2-OE1 2.96Å; R166-E170 PolarHBondContact NH2-OE1 3.2Å; R166-E170 WeakPolarHBondContact O-CB 3.33Å; R166-E170 WeakPolarHBondContact O-CG 3.45Å; R166-E170 PolarHBondContact O-N 3.03Å; E170-N172 PolarHBondContact O-N 2.85Å; E170-R173 PolarHBondContact O-N 3.21Å; E170-E174 PolarHBondContact O-N 3.03Å
171	R	98.1	Very high	98.1	Very high	55 Å²	55	69.2 Å²	69.2	21%	0.208	31%	0.31	C	S	.	.	H	α-helix	trans	-55.3	-49.4	174.7	176.6	75.7	177.1	106.2	-1.9	111.8	A167 I168 R173 E174 Q175 M177 E182 V186	A167-R171 VanDerWaalsContact O-CB 3.24Å; A167-R171 WeakPolarHBondContact O-CB 3.41Å; A167-R171 PolarHBondContact O-N 3.38Å; I168-R171 PolarHBondContact O-N 2.92Å; R171-R173 VanDerWaalsContact C-N 3.27Å; R171-R173 PolarHBondContact O-N 3.09Å; R171-E174 PolarHBondContact O-N 2.83Å; R171-E174 VanDerWaalsContact O-N 3.14Å; R171-Q175 PolarHBondContact NH1-O 3.28Å; R171-Q175 CarbonylContact O-C 3.5Å; R171-Q175 PolarHBondContact O-N 2.89Å; R171-M177 HydrophobicContact CG-CE 4.31Å; R171-M177 HydrophobicContact CG-CG 3.63Å; R171-M177 HydrophobicContact CG-SD 3.87Å; R171-E182 IonicContact NH2-OE1 3.45Å; R171-E182 PolarHBondContact NH2-OE1 3.31Å; R171-V186 HydrophobicContact CB-CG2 3.98Å; R171-V186 HydrophobicContact CG-CG2 3.72Å
172	N	98.1	Very high	98.1	Very high	7 Å²	7	70.6 Å²	70.6	4%	0.037	32%	0.316	C	S	.	.	H	α-helix	trans	-69.6	-20.3	-175.6	-85.6	-8	0	0	0	114	L140 Q141 I168 V169 E170 M177	L140-N172 VanDerWaalsContact C-ND2 3.28Å; L140-N172 PolarHBondContact O-ND2 3.19Å; Q141-N172 PolarHBondContact NE2-O 2.8Å; Q141-N172 VanDerWaalsContact OE1-CG 3.25Å; Q141-N172 PolarHBondContact OE1-O 3.42Å; I168-N172 WeakPolarHBondContact O-CB 3.21Å; I168-N172 PolarHBondContact O-N 2.99Å; V169-N172 PolarHBondContact O-N 2.88Å; E170-N172 PolarHBondContact O-N 2.85Å; N172-M177 WeakPolarHBondContact OD1-CE 3.27Å; N172-M177 PolarHBondContact OD1-N 2.79Å
173	R	96.8	Very high	98.1	Very high	192 Å²	192	62.5 Å²	62.5	73%	0.725	28%	0.28	S	S	*	.	H	α-helix	trans	-73.9	-35.6	169.8	-74.1	172.3	-177.4	169.1	3.8	112.5	V169 E170 R171	V169-R173 WeakPolarHBondContact O-CG 3.27Å; V169-R173 PolarHBondContact O-N 2.69Å; E170-R173 PolarHBondContact O-N 3.21Å; R171-R173 VanDerWaalsContact C-N 3.27Å; R171-R173 PolarHBondContact O-N 3.09Å
174	E	96.4	Very high	98.1	Very high	168 Å²	168	55.9 Å²	55.9	79%	0.785	26%	0.257	S	S	*	.	H	α-helix	trans	-83.3	-50.1	-179.1	-66.7	179.5	179.8	0	0	111.7	E170 R171	E170-E174 PolarHBondContact O-N 3.03Å; R171-E174 PolarHBondContact O-N 2.83Å; R171-E174 VanDerWaalsContact O-N 3.14Å
175	Q	97.2	Very high	98	Very high	108 Å²	108	62 Å²	62	51%	0.505	29%	0.286	S	S	.	.	S	Bend	trans	-154.6	112.7	174.7	160.2	-167.7	39.7	0	0	108.6	R171 M177	R171-Q175 PolarHBondContact NH1-O 3.28Å; R171-Q175 CarbonylContact O-C 3.5Å; R171-Q175 PolarHBondContact O-N 2.89Å; Q175-M177 PolarHBondContact O-N 3.18Å
176	P	97.6	Very high	98	Very high	63 Å²	63	62.9 Å²	62.9	41%	0.409	29%	0.291	S	S	.	.			trans	-51.2	130.5	178.3	-31	37.3	0	0	0	113	Q141	Q141-P176 VanDerWaalsContact OE1-CB 3.31Å
177	M	98.5	Very high	98	Very high	4 Å²	4	56.4 Å²	56.4	2%	0.02	27%	0.267	C	S	.	.			trans	-72.9	129.5	173	-64.2	179.1	-74.8	0	0	110	L124 I168 R171 N172 Q175 E182 L183 V186	L124-M177 HydrophobicContact CD2-CB 4.2Å; I168-M177 HydrophobicContact CB-CE 4.17Å; I168-M177 HydrophobicContact CG1-CE 4.16Å; I168-M177 HydrophobicContact CG2-CE 3.69Å; R171-M177 HydrophobicContact CG-CE 4.31Å; R171-M177 HydrophobicContact CG-CG 3.63Å; R171-M177 HydrophobicContact CG-SD 3.87Å; N172-M177 WeakPolarHBondContact OD1-CE 3.27Å; N172-M177 PolarHBondContact OD1-N 2.79Å; Q175-M177 PolarHBondContact O-N 3.18Å; M177-E182 HydrophobicContact CB-CB 4.18Å; M177-E182 HydrophobicContact CG-CB 3.95Å; M177-E182 HydrophobicContact SD-CB 4.41Å; M177-L183 HydrophobicContact CE-CD1 4.17Å; M177-L183 HydrophobicContact SD-CB 4.21Å; M177-L183 HydrophobicContact SD-CD1 4.28Å; M177-V186 HydrophobicContact SD-CB 4.26Å; M177-V186 HydrophobicContact SD-CG2 3.76Å
178	T	98.1	Very high	97.9	Very high	83 Å²	83	56.2 Å²	56.2	51%	0.509	27%	0.265	S	S	.	.			trans	-121.7	-9.4	178.3	59.5	0	0	0	0	112.3	L124 E182	L124-T178 PolarHBondContact N-O 3.13Å; T178-E182 PolarHBondContact N-OE2 2.9Å
179	R	98.6	Very high	97.7	Very high	97 Å²	97	60.2 Å²	60.2	37%	0.366	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-127.1	151.4	-174	-50.1	-172	65.5	79.9	3.4	112.8	D121 G122 K181 E182 L183	D121-R179 IonicContact OD1-NE 3.25Å; D121-R179 IonicContact OD2-CZ 2.64Å; D121-R179 IonicContact OD2-NE 3.71Å; D121-R179 PolarHBondContact OD2-NE 3.5Å; D121-R179 IonicContact OD2-NH2 3.31Å; D121-R179 PolarHBondContact OD2-NH2 3.23Å; G122-R179 CarbonylContact O-C 3.58Å; G122-R179 VanDerWaalsContact O-CA 3.25Å; G122-R179 WeakPolarHBondContact O-CA 3.19Å; R179-K181 VanDerWaalsContact C-N 3.34Å; R179-K181 PolarHBondContact O-N 2.77Å; R179-E182 HydrophobicContact CB-CG 4.17Å; R179-E182 PolarHBondContact N-OE2 3.48Å; R179-E182 PolarHBondContact O-N 2.94Å; R179-L183 PolarHBondContact O-N 2.8Å
180	T	98.4	Very high	97.7	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-63.5	-36.8	-176.5	56.9	0	0	0	0	112.7	G115 S117 R120 G122 L124 E182 L183 A184 F205	G115-T180 WeakPolarHBondContact O-CG2 3.48Å; S117-T180 WeakPolarHBondContact O-CB 3.29Å; S117-T180 PolarHBondContact O-OG1 3.11Å; R120-T180 PolarHBondContact O-OG1 2.74Å; G122-T180 PolarHBondContact N-OG1 3.3Å; G122-T180 PolarHBondContact O-N 3.45Å; L124-T180 HydrophobicContact CD1-CG2 4.32Å; T180-E182 VanDerWaalsContact C-N 3.33Å; T180-E182 PolarHBondContact O-N 3.24Å; T180-L183 PolarHBondContact O-N 2.95Å; T180-A184 PolarHBondContact O-N 3.38Å; T180-F205 HydrophobicContact CG2-CE1 4.16Å; T180-F205 WeakPolarHBondContact O-CZ 3.29Å
181	K	97.7	Very high	97.5	Very high	98 Å²	98	56.4 Å²	56.4	43%	0.426	28%	0.281	S	S	.	.	H	α-helix	trans	-63.9	-37.2	176.1	-78.8	-173.2	177.5	167.8	0	113.2	D121 R179 L183 A184 E185	D121-K181 HydrophobicContact CB-CD 3.64Å; D121-K181 HydrophobicContact CB-CG 3.83Å; D121-K181 WeakPolarHBondContact OD1-CB 3.39Å; D121-K181 WeakPolarHBondContact OD1-CG 3.41Å; D121-K181 PolarHBondContact OD1-N 2.8Å; R179-K181 VanDerWaalsContact C-N 3.34Å; R179-K181 PolarHBondContact O-N 2.77Å; K181-L183 VanDerWaalsContact C-N 3.35Å; K181-L183 PolarHBondContact O-N 2.91Å; K181-A184 PolarHBondContact O-N 2.73Å; K181-A184 VanDerWaalsContact O-N 3.14Å; K181-E185 WeakPolarHBondContact O-CB 3.07Å; K181-E185 VanDerWaalsContact O-CG 3.29Å; K181-E185 WeakPolarHBondContact O-CG 3.08Å; K181-E185 PolarHBondContact O-N 2.8Å
182	E	98.4	Very high	97.1	Very high	35 Å²	35	57.3 Å²	57.3	16%	0.164	29%	0.294	C	S	.	.	H	α-helix	trans	-62.1	-45	179.9	-59.5	177.3	118.5	0	0	110.8	R171 M177 T178 R179 T180 A184 E185 V186	R171-E182 IonicContact NH2-OE1 3.45Å; R171-E182 PolarHBondContact NH2-OE1 3.31Å; M177-E182 HydrophobicContact CB-CB 4.18Å; M177-E182 HydrophobicContact CG-CB 3.95Å; M177-E182 HydrophobicContact SD-CB 4.41Å; T178-E182 PolarHBondContact N-OE2 2.9Å; R179-E182 HydrophobicContact CB-CG 4.17Å; R179-E182 PolarHBondContact N-OE2 3.48Å; R179-E182 PolarHBondContact O-N 2.94Å; T180-E182 VanDerWaalsContact C-N 3.33Å; T180-E182 PolarHBondContact O-N 3.24Å; E182-A184 PolarHBondContact O-N 3.39Å; E182-E185 PolarHBondContact O-N 3.1Å; E182-V186 WeakPolarHBondContact O-CG2 2.98Å; E182-V186 PolarHBondContact O-N 3.02Å
183	L	98.6	Very high	96.5	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-62.1	-44.6	173.6	179	60.9	0	0	0	111.4	L124 L140 I168 M177 R179 T180 K181 E185 V186 V187 T204 F205	L124-L183 HydrophobicContact CD1-CB 4.3Å; L124-L183 HydrophobicContact CD1-CD2 3.71Å; L124-L183 HydrophobicContact CD2-CB 4.06Å; L124-L183 HydrophobicContact CD2-CD2 4.27Å; L140-L183 HydrophobicContact CD1-CD1 4.04Å; L140-L183 HydrophobicContact CD1-CD2 3.92Å; I168-L183 HydrophobicContact CD1-CD1 3.81Å; I168-L183 HydrophobicContact CG1-CD1 3.94Å; M177-L183 HydrophobicContact CE-CD1 4.17Å; M177-L183 HydrophobicContact SD-CB 4.21Å; M177-L183 HydrophobicContact SD-CD1 4.28Å; R179-L183 PolarHBondContact O-N 2.8Å; T180-L183 PolarHBondContact O-N 2.95Å; K181-L183 VanDerWaalsContact C-N 3.35Å; K181-L183 PolarHBondContact O-N 2.91Å; L183-E185 VanDerWaalsContact C-N 3.31Å; L183-E185 PolarHBondContact O-N 2.87Å; L183-V186 PolarHBondContact O-N 3.42Å; L183-V187 HydrophobicContact CD1-CG2 4.08Å; L183-V187 HydrophobicContact CG-CG2 4.39Å; L183-V187 WeakPolarHBondContact O-CG2 3.45Å; L183-V187 PolarHBondContact O-N 3.46Å; L183-T204 HydrophobicContact CD1-CG2 4.43Å; L183-T204 HydrophobicContact CD2-CG2 4.5Å; L183-F205 HydrophobicContact CB-CE2 4.19Å; L183-F205 HydrophobicContact CB-CZ 4.31Å; L183-F205 HydrophobicContact CD2-CD2 4.21Å; L183-F205 HydrophobicContact CD2-CE2 3.67Å; L183-F205 HydrophobicContact CD2-CZ 4.02Å; L183-F205 HydrophobicContact CG-CE2 3.8Å; L183-F205 HydrophobicContact CG-CZ 4.32Å
184	A	97.9	Very high	95.7	Very high	9 Å²	9	59.6 Å²	59.6	7%	0.074	32%	0.318	C	S	.	.	H	α-helix	trans	-61.8	-38.9	-179.8	0	0	0	0	0	112.6	F118 T180 K181 E182 A188 A201 F205	F118-A184 HydrophobicContact CB-CB 3.76Å; F118-A184 HydrophobicContact CD2-CB 4.24Å; F118-A184 HydrophobicContact CG-CB 3.94Å; T180-A184 PolarHBondContact O-N 3.38Å; K181-A184 PolarHBondContact O-N 2.73Å; K181-A184 VanDerWaalsContact O-N 3.14Å; E182-A184 PolarHBondContact O-N 3.39Å; A184-A188 VanDerWaalsContact O-CB 3.25Å; A184-A188 WeakPolarHBondContact O-CB 3.43Å; A184-A188 PolarHBondContact O-N 3.17Å; A184-A201 HydrophobicContact CB-CB 3.91Å; A184-F205 HydrophobicContact CB-CE2 4.25Å; A184-F205 HydrophobicContact CB-CZ 4.49Å
185	E	97.3	Very high	95	Very high	128 Å²	128	55.8 Å²	55.8	60%	0.598	30%	0.303	S	S	*	.	H	α-helix	trans	-66.7	-46.2	176.9	-74.6	169.5	-172.2	0	0	111.9	K181 E182 L183 V187 A188 A189	K181-E185 WeakPolarHBondContact O-CB 3.07Å; K181-E185 VanDerWaalsContact O-CG 3.29Å; K181-E185 WeakPolarHBondContact O-CG 3.08Å; K181-E185 PolarHBondContact O-N 2.8Å; E182-E185 PolarHBondContact O-N 3.1Å; L183-E185 VanDerWaalsContact C-N 3.31Å; L183-E185 PolarHBondContact O-N 2.87Å; E185-V187 VanDerWaalsContact C-N 3.33Å; E185-V187 PolarHBondContact O-N 3.38Å; E185-A188 PolarHBondContact O-N 3.29Å; E185-A189 WeakPolarHBondContact O-CB 3.32Å; E185-A189 PolarHBondContact O-N 3.35Å
186	V	98.1	Very high	94.2	Very high	19 Å²	19	59.7 Å²	59.7	12%	0.115	32%	0.318	C	S	.	.	H	α-helix	trans	-58.5	-46.5	175.3	170.8	0	0	0	0	110.8	A167 I168 R171 M177 E182 L183 A188 A189 A190	A167-V186 HydrophobicContact CB-CG1 3.82Å; I168-V186 HydrophobicContact CG1-CG1 4.03Å; R171-V186 HydrophobicContact CB-CG2 3.98Å; R171-V186 HydrophobicContact CG-CG2 3.72Å; M177-V186 HydrophobicContact SD-CB 4.26Å; M177-V186 HydrophobicContact SD-CG2 3.76Å; E182-V186 WeakPolarHBondContact O-CG2 2.98Å; E182-V186 PolarHBondContact O-N 3.02Å; L183-V186 PolarHBondContact O-N 3.42Å; V186-A188 PolarHBondContact O-N 3.35Å; V186-A189 PolarHBondContact O-N 2.98Å; V186-A190 VanDerWaalsContact O-CB 3.24Å; V186-A190 WeakPolarHBondContact O-CB 3.41Å; V186-A190 PolarHBondContact O-N 3.33Å
187	V	97.8	Very high	93.5	Very high	0 Å²	0	65.3 Å²	65.3	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-64	-41.6	178.1	177.8	0	0	0	0	111.3	I164 L183 E185 A190 T191 A201 T204	I164-V187 HydrophobicContact CD1-CG1 4.04Å; I164-V187 HydrophobicContact CG1-CG1 4.37Å; I164-V187 HydrophobicContact CG2-CB 4.45Å; I164-V187 HydrophobicContact CG2-CG1 4.36Å; I164-V187 HydrophobicContact CG2-CG2 3.79Å; L183-V187 HydrophobicContact CD1-CG2 4.08Å; L183-V187 HydrophobicContact CG-CG2 4.39Å; L183-V187 WeakPolarHBondContact O-CG2 3.45Å; L183-V187 PolarHBondContact O-N 3.46Å; E185-V187 VanDerWaalsContact C-N 3.33Å; E185-V187 PolarHBondContact O-N 3.38Å; V187-A190 PolarHBondContact O-N 3.16Å; V187-T191 VanDerWaalsContact O-CB 3.31Å; V187-T191 WeakPolarHBondContact O-CB 3.39Å; V187-T191 PolarHBondContact O-N 2.88Å; V187-T191 PolarHBondContact O-OG1 3.19Å; V187-A201 HydrophobicContact CB-CB 4.26Å; V187-A201 HydrophobicContact CG1-CB 4.3Å; V187-T204 HydrophobicContact CG2-CG2 3.59Å
188	A	95.9	Very high	92.9	Very high	20 Å²	20	68.8 Å²	68.8	17%	0.165	35%	0.351	C	S	.	.	H	α-helix	trans	-67.4	-34.9	-179.9	0	0	0	0	0	112.8	A184 E185 V186	A184-A188 VanDerWaalsContact O-CB 3.25Å; A184-A188 WeakPolarHBondContact O-CB 3.43Å; A184-A188 PolarHBondContact O-N 3.17Å; E185-A188 PolarHBondContact O-N 3.29Å; V186-A188 PolarHBondContact O-N 3.35Å
189	A	96.2	Very high	92.5	Very high	83 Å²	83	68.8 Å²	68.8	69%	0.686	35%	0.345	S	S	*	.	H	α-helix	trans	-74.1	-35.7	174.4	0	0	0	0	0	112.1	E185 V186	E185-A189 WeakPolarHBondContact O-CB 3.32Å; E185-A189 PolarHBondContact O-N 3.35Å; V186-A189 PolarHBondContact O-N 2.98Å
190	A	96.9	Very high	92.3	Very high	6 Å²	6	65.2 Å²	65.2	5%	0.05	34%	0.335	C	S	.	.	H	α-helix	trans	-76.2	-23.2	178.9	0	0	0	0	0	113.4	R163 I164 A167 V186 V187 P192	R163-A190 WeakPolarHBondContact CD-O 3.17Å; R163-A190 HydrophobicContact CG-CB 4.5Å; R163-A190 PolarHBondContact NE-O 3.03Å; I164-A190 HydrophobicContact CB-CB 4.49Å; I164-A190 HydrophobicContact CG1-CB 3.93Å; A167-A190 HydrophobicContact CB-CB 3.76Å; V186-A190 VanDerWaalsContact O-CB 3.24Å; V186-A190 WeakPolarHBondContact O-CB 3.41Å; V186-A190 PolarHBondContact O-N 3.33Å; V187-A190 PolarHBondContact O-N 3.16Å; A190-P192 VanDerWaalsContact O-CD 3.24Å; A190-P192 WeakPolarHBondContact O-CD 3.41Å
191	T	94.3	Very high	92.1	Very high	9 Å²	9	65.2 Å²	65.2	6%	0.055	34%	0.335	C	S	.	.			trans	-86	109.7	-177.5	-61.3	0	0	0	0	112.3	F160 V187 V193 P200	F160-T191 HydrophobicContact CD2-CG2 3.85Å; F160-T191 HydrophobicContact CE2-CG2 4.04Å; V187-T191 VanDerWaalsContact O-CB 3.31Å; V187-T191 WeakPolarHBondContact O-CB 3.39Å; V187-T191 PolarHBondContact O-N 2.88Å; V187-T191 PolarHBondContact O-OG1 3.19Å; T191-V193 VanDerWaalsContact CG2-O 3.29Å; T191-V193 WeakPolarHBondContact CG2-O 3.15Å; T191-P200 HydrophobicContact CG2-CB 4.07Å
192	P	89.8	Confident	92	Very high	75 Å²	75	62.7 Å²	62.7	49%	0.487	33%	0.328	S	S	.	.	S	Bend	trans	-74.1	-36.3	-175.5	-17.3	32.8	0	0	0	113.9	F160 A190	F160-P192 HydrophobicContact CD1-CG 4.17Å; F160-P192 HydrophobicContact CE1-CG 4.03Å; F160-P192 HydrophobicContact CZ-CG 4.42Å; A190-P192 VanDerWaalsContact O-CD 3.24Å; A190-P192 WeakPolarHBondContact O-CD 3.41Å
193	V	86.5	Confident	91.8	Very high	105 Å²	105	64.8 Å²	64.8	64%	0.636	33%	0.334	S	S	*	.	S	Bend	trans	-109.5	114.6	-178	-177.9	0	0	0	0	108.7	F160 T191	F160-V193 HydrophobicContact CE2-CB 4.17Å; F160-V193 HydrophobicContact CZ-CB 3.97Å; F160-V193 HydrophobicContact CZ-CG2 4Å; T191-V193 VanDerWaalsContact CG2-O 3.29Å; T191-V193 WeakPolarHBondContact CG2-O 3.15Å
194	K	80.2	Confident	91.8	Very high	142 Å²	142	64.8 Å²	64.8	62%	0.617	33%	0.334	S	S	*	.			trans	-94.7	131.6	-178.6	-59.1	-175.8	-178.5	-177.7	0	110.1	P200	K194-P200 HydrophobicContact CB-CG 4.5Å; K194-P200 HydrophobicContact CD-CG 4.44Å; K194-P200 HydrophobicContact CG-CG 4.1Å
195	D	80.9	Confident	91.8	Very high	88 Å²	88	64.8 Å²	64.8	47%	0.471	33%	0.332	S	S	.	.			trans	-73	136.7	168.7	-170.4	-36	0	0	0	108.9	F197 K198	D195-F197 VanDerWaalsContact C-N 3.28Å; D195-F197 PolarHBondContact O-N 2.88Å; D195-F197 PolarHBondContact OD1-N 2.66Å; D195-K198 HydrophobicContact CB-CB 4.13Å
196	K	80.9	Confident	91.7	Very high	189 Å²	189	60.6 Å²	60.6	82%	0.822	31%	0.312	S	S	*	.	S	Bend	trans	-67.4	-29.6	-179.7	-172.6	177.5	178.5	-178	0	112.2
197	F	82.5	Confident	91.8	Very high	181 Å²	181	59.7 Å²	59.7	79%	0.794	31%	0.307	S	S	*	.	S	Bend	trans	-108.1	-10.3	-171.7	-57.4	-72.6	0	0	0	113.7	D195	D195-F197 VanDerWaalsContact C-N 3.28Å; D195-F197 PolarHBondContact O-N 2.88Å; D195-F197 PolarHBondContact OD1-N 2.66Å
198	K	85.6	Confident	91.8	Very high	78 Å²	78	59.7 Å²	59.7	34%	0.339	31%	0.307	S	S	.	.	S	Bend	trans	-131.1	124	-174.8	-171.2	169.4	-177.6	167.8	0	110.4	D195 T202	D195-K198 HydrophobicContact CB-CB 4.13Å; K198-T202 HydrophobicContact CD-CG2 4.44Å; K198-T202 HydrophobicContact CG-CG2 4.31Å
199	H	90.9	Very high	91.9	Very high	82 Å²	82	60.2 Å²	60.2	38%	0.38	31%	0.305	S	S	.	.			trans	-60	135.5	175.7	-171.6	-91.2	0	0	0	110.1	F118 A201 T202	F118-H199 AromaticContact CD2-ND1 3.96Å; F118-H199 HydrophobicContact CE2-CB 3.8Å; F118-H199 AromaticContact CE2-CE1 3.84Å; F118-H199 AromaticContact CE2-CG 3.45Å; F118-H199 VanDerWaalsContact CE2-CG 3.45Å; F118-H199 AromaticContact CE2-ND1 3.21Å; F118-H199 WeakPolarHBondContact CE2-ND1 3.38Å; F118-H199 HydrophobicContact CZ-CB 3.82Å; F118-H199 AromaticContact CZ-CG 3.82Å; F118-H199 AromaticContact CZ-ND1 3.46Å; F118-H199 WeakPolarHBondContact CZ-ND1 3.21Å; H199-A201 WeakPolarHBondContact ND1-CB 3.46Å; H199-A201 PolarHBondContact ND1-N 3.09Å; H199-A201 VanDerWaalsContact ND1-N 3.17Å; H199-A201 PolarHBondContact O-N 3.01Å; H199-A201 VanDerWaalsContact O-N 3.11Å; H199-T202 WeakPolarHBondContact O-CB 3.26Å; H199-T202 PolarHBondContact O-N 3.07Å; H199-T202 PolarHBondContact O-OG1 3.44Å
200	P	92.9	Very high	92	Very high	23 Å²	23	56.3 Å²	56.3	15%	0.149	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.5	-36.1	-177.4	-30	36.3	0	0	0	114.4	T191 K194 T202	T191-P200 HydrophobicContact CG2-CB 4.07Å; K194-P200 HydrophobicContact CB-CG 4.5Å; K194-P200 HydrophobicContact CD-CG 4.44Å; K194-P200 HydrophobicContact CG-CG 4.1Å; P200-T202 PolarHBondContact O-N 3.07Å
201	A	96	Very high	92	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.286	C	S	.	.	H	α-helix	trans	-69.6	-14.9	-178.8	0	0	0	0	0	114.7	F118 A184 V187 H199 R203 T204 F205	F118-A201 HydrophobicContact CD1-CB 4.04Å; F118-A201 HydrophobicContact CE1-CB 3.81Å; F118-A201 HydrophobicContact CE2-CB 4.48Å; F118-A201 HydrophobicContact CG-CB 4.48Å; F118-A201 HydrophobicContact CZ-CB 4.06Å; A184-A201 HydrophobicContact CB-CB 3.91Å; V187-A201 HydrophobicContact CB-CB 4.26Å; V187-A201 HydrophobicContact CG1-CB 4.3Å; H199-A201 WeakPolarHBondContact ND1-CB 3.46Å; H199-A201 PolarHBondContact ND1-N 3.09Å; H199-A201 VanDerWaalsContact ND1-N 3.17Å; H199-A201 PolarHBondContact O-N 3.01Å; H199-A201 VanDerWaalsContact O-N 3.11Å; A201-R203 PolarHBondContact O-N 3.14Å; A201-T204 PolarHBondContact O-N 3.13Å; A201-F205 HydrophobicContact CB-CD2 3.94Å; A201-F205 HydrophobicContact CB-CE2 4.03Å; A201-F205 VanDerWaalsContact O-CD2 3.3Å; A201-F205 WeakPolarHBondContact O-CD2 3.44Å; A201-F205 PolarHBondContact O-N 3.24Å
202	T	94.4	Very high	92.2	Very high	45 Å²	45	61 Å²	61	28%	0.276	29%	0.291	S	S	.	.	H	α-helix	trans	-60.2	-42.5	-170.4	-47.4	0	0	0	0	112.8	K198 H199 P200 Q206	K198-T202 HydrophobicContact CD-CG2 4.44Å; K198-T202 HydrophobicContact CG-CG2 4.31Å; H199-T202 WeakPolarHBondContact O-CB 3.26Å; H199-T202 PolarHBondContact O-N 3.07Å; H199-T202 PolarHBondContact O-OG1 3.44Å; P200-T202 PolarHBondContact O-N 3.07Å; T202-Q206 PolarHBondContact O-N 3.31Å; T202-Q206 VanDerWaalsContact O-N 3.12Å
203	R	95.2	Very high	92.6	Very high	79 Å²	79	57.5 Å²	57.5	30%	0.298	27%	0.268	S	S	.	.	H	α-helix	trans	-69.4	-40.4	178.6	-77.5	-176.9	173	139.3	5.1	111.8	G156 E158 A201 Q206 A207	G156-R203 WeakPolarHBondContact CA-O 3.17Å; G156-R203 WeakPolarHBondContact O-CB 3.19Å; G156-R203 WeakPolarHBondContact O-CD 3.4Å; G156-R203 WeakPolarHBondContact O-CG 3.4Å; E158-R203 WeakPolarHBondContact OE2-CB 3.4Å; E158-R203 WeakPolarHBondContact OE2-CD 3.24Å; A201-R203 PolarHBondContact O-N 3.14Å; R203-Q206 PolarHBondContact O-N 2.85Å; R203-A207 PolarHBondContact O-N 3.04Å
204	T	97.7	Very high	93.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.7	-47.4	176	-65.1	0	0	0	0	111.6	L152 L183 V187 A201 Q206 A207 V208	L152-T204 HydrophobicContact CD2-CG2 3.6Å; L183-T204 HydrophobicContact CD1-CG2 4.43Å; L183-T204 HydrophobicContact CD2-CG2 4.5Å; V187-T204 HydrophobicContact CG2-CG2 3.59Å; A201-T204 PolarHBondContact O-N 3.13Å; T204-Q206 VanDerWaalsContact C-N 3.35Å; T204-Q206 PolarHBondContact O-N 3.25Å; T204-A207 PolarHBondContact O-N 3.05Å; T204-A207 VanDerWaalsContact O-N 3.17Å; T204-V208 HydrophobicContact CG2-CG2 4.06Å; T204-V208 WeakPolarHBondContact O-CB 3.45Å; T204-V208 WeakPolarHBondContact O-CG2 3.24Å; T204-V208 PolarHBondContact O-N 2.74Å
205	F	97.7	Very high	93.9	Very high	9 Å²	9	48.9 Å²	48.9	4%	0.039	23%	0.229	C	C	.	.	H	α-helix	trans	-60.6	-44.1	177.8	-88.2	-117.3	0	0	0	111.6	F118 M126 T180 L183 A184 A201 A207 R209	F118-F205 HydrophobicContact CB-CE1 3.83Å; F118-F205 HydrophobicContact CB-CE2 4.28Å; F118-F205 HydrophobicContact CB-CZ 3.66Å; F118-F205 HydrophobicContact CD1-CB 4.46Å; F118-F205 AromaticContact CD1-CD1 3.58Å; F118-F205 HydrophobicContact CD1-CD1 3.58Å; F118-F205 AromaticContact CD1-CD2 3.64Å; F118-F205 HydrophobicContact CD1-CD2 3.64Å; F118-F205 AromaticContact CD1-CE1 3.64Å; F118-F205 HydrophobicContact CD1-CE1 3.64Å; F118-F205 AromaticContact CD1-CE2 3.67Å; F118-F205 HydrophobicContact CD1-CE2 3.67Å; F118-F205 AromaticContact CD1-CG 3.61Å; F118-F205 HydrophobicContact CD1-CG 3.61Å; F118-F205 AromaticContact CD1-CZ 3.7Å; F118-F205 HydrophobicContact CD1-CZ 3.7Å; F118-F205 HydrophobicContact CE1-CB 4.39Å; F118-F205 HydrophobicContact CE1-CD1 4.3Å; F118-F205 HydrophobicContact CE1-CD2 4.06Å; F118-F205 HydrophobicContact CE1-CE2 4.47Å; F118-F205 AromaticContact CE1-CG 3.98Å; F118-F205 HydrophobicContact CE1-CG 3.98Å; F118-F205 HydrophobicContact CG-CE1 4.24Å; F118-F205 HydrophobicContact CG-CE2 4.31Å; F118-F205 HydrophobicContact CG-CZ 4.11Å; M126-F205 HydrophobicContact CE-CB 4.34Å; M126-F205 HydrophobicContact CE-CD1 3.08Å; M126-F205 HydrophobicContact CE-CD2 4.41Å; M126-F205 HydrophobicContact CE-CE1 3.21Å; M126-F205 HydrophobicContact CE-CG 3.73Å; M126-F205 HydrophobicContact CE-CZ 3.96Å; T180-F205 HydrophobicContact CG2-CE1 4.16Å; T180-F205 WeakPolarHBondContact O-CZ 3.29Å; L183-F205 HydrophobicContact CB-CE2 4.19Å; L183-F205 HydrophobicContact CB-CZ 4.31Å; L183-F205 HydrophobicContact CD2-CD2 4.21Å; L183-F205 HydrophobicContact CD2-CE2 3.67Å; L183-F205 HydrophobicContact CD2-CZ 4.02Å; L183-F205 HydrophobicContact CG-CE2 3.8Å; L183-F205 HydrophobicContact CG-CZ 4.32Å; A184-F205 HydrophobicContact CB-CE2 4.25Å; A184-F205 HydrophobicContact CB-CZ 4.49Å; A201-F205 HydrophobicContact CB-CD2 3.94Å; A201-F205 HydrophobicContact CB-CE2 4.03Å; A201-F205 VanDerWaalsContact O-CD2 3.3Å; A201-F205 WeakPolarHBondContact O-CD2 3.44Å; A201-F205 PolarHBondContact O-N 3.24Å; F205-A207 PolarHBondContact O-N 3.5Å; F205-R209 WeakPolarHBondContact O-CB 3.48Å; F205-R209 PolarHBondContact O-N 3.25Å
206	Q	96.4	Very high	94.7	Very high	39 Å²	39	45.5 Å²	45.5	18%	0.182	21%	0.21	C	C	.	.	H	α-helix	trans	-57.3	-48	173.8	-175.1	-170.9	-63.2	0	0	111.5	Y155 T202 R203 T204 R209 I210	Y155-Q206 PolarHBondContact O-NE2 3.14Å; T202-Q206 PolarHBondContact O-N 3.31Å; T202-Q206 VanDerWaalsContact O-N 3.12Å; R203-Q206 PolarHBondContact O-N 2.85Å; T204-Q206 VanDerWaalsContact C-N 3.35Å; T204-Q206 PolarHBondContact O-N 3.25Å; Q206-R209 PolarHBondContact O-N 3.08Å; Q206-I210 HydrophobicContact CG-CD1 3.8Å; Q206-I210 WeakPolarHBondContact O-CB 3.44Å; Q206-I210 VanDerWaalsContact O-CG1 3.24Å; Q206-I210 WeakPolarHBondContact O-CG1 3.47Å; Q206-I210 PolarHBondContact O-N 3.49Å
207	A	98.2	Very high	95.5	Very high	0 Å²	0	40 Å²	40	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-64.2	-47.1	-177.9	0	0	0	0	0	112.8	V151 L152 R203 T204 F205 R209 I210 W211	V151-A207 HydrophobicContact CG1-CB 4.11Å; L152-A207 HydrophobicContact CD2-CB 4Å; R203-A207 PolarHBondContact O-N 3.04Å; T204-A207 PolarHBondContact O-N 3.05Å; T204-A207 VanDerWaalsContact O-N 3.17Å; F205-A207 PolarHBondContact O-N 3.5Å; A207-R209 VanDerWaalsContact C-N 3.3Å; A207-R209 PolarHBondContact O-N 2.87Å; A207-I210 PolarHBondContact O-N 3.42Å; A207-W211 WeakPolarHBondContact O-CB 3.41Å; A207-W211 PolarHBondContact O-N 2.83Å
208	V	98.5	Very high	96.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.9	-44.6	179.4	174.7	0	0	0	0	109.6	M126 A136 W139 L140 L152 T204 W211 V212	M126-V208 HydrophobicContact SD-CB 4.04Å; M126-V208 HydrophobicContact SD-CG1 3.61Å; A136-V208 HydrophobicContact CB-CG1 3.64Å; W139-V208 HydrophobicContact CE3-CG1 4.05Å; W139-V208 HydrophobicContact CZ3-CB 4.17Å; W139-V208 HydrophobicContact CZ3-CG1 3.89Å; W139-V208 HydrophobicContact CZ3-CG2 3.96Å; L140-V208 HydrophobicContact CD2-CG2 4.47Å; L152-V208 HydrophobicContact CD2-CG2 4.32Å; T204-V208 HydrophobicContact CG2-CG2 4.06Å; T204-V208 WeakPolarHBondContact O-CB 3.45Å; T204-V208 WeakPolarHBondContact O-CG2 3.24Å; T204-V208 PolarHBondContact O-N 2.74Å; V208-W211 PolarHBondContact O-N 3.05Å; V208-V212 HydrophobicContact CG1-CG2 4.18Å; V208-V212 WeakPolarHBondContact O-CB 3.06Å; V208-V212 VanDerWaalsContact O-CG2 3.29Å; V208-V212 WeakPolarHBondContact O-CG2 3.19Å; V208-V212 PolarHBondContact O-N 3.02Å
209	R	97.7	Very high	96.9	Very high	32 Å²	32	28.8 Å²	28.8	12%	0.121	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-48.6	178.9	-169.9	-161.1	72	-166.3	2.9	112.7	V104 F116 M126 F205 Q206 A207 W211 V212 N213 E215	V104-R209 VanDerWaalsContact CG1-CD 3.49Å; V104-R209 VanDerWaalsContact CG2-NH1 3.35Å; F116-R209 HydrophobicContact CD1-CG 3.6Å; F116-R209 HydrophobicContact CE1-CG 3.62Å; M126-R209 HydrophobicContact SD-CB 4.33Å; F205-R209 WeakPolarHBondContact O-CB 3.48Å; F205-R209 PolarHBondContact O-N 3.25Å; Q206-R209 PolarHBondContact O-N 3.08Å; A207-R209 VanDerWaalsContact C-N 3.3Å; A207-R209 PolarHBondContact O-N 2.87Å; R209-W211 PolarHBondContact O-N 2.83Å; R209-V212 PolarHBondContact O-N 3.29Å; R209-N213 PolarHBondContact O-N 3.27Å; R209-N213 VanDerWaalsContact O-N 3.1Å; R209-N213 PolarHBondContact O-ND2 3.04Å; R209-E215 WeakPolarHBondContact CD-OE1 3.35Å; R209-E215 WeakPolarHBondContact CG-OE1 3.46Å; R209-E215 IonicContact CZ-OE1 3.72Å; R209-E215 IonicContact CZ-OE2 2.88Å; R209-E215 IonicContact NE-OE1 3.38Å; R209-E215 PolarHBondContact NE-OE1 2.87Å; R209-E215 IonicContact NE-OE2 3.15Å; R209-E215 PolarHBondContact NE-OE2 2.82Å; R209-E215 IonicContact NH2-OE1 3.7Å; R209-E215 IonicContact NH2-OE2 3.84Å; R209-E215 PolarHBondContact NH2-OE2 2.99Å
210	I	98.1	Very high	97.2	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-55.3	-45.2	176.1	-74	166.7	0	0	0	110.1	Y155 Q206 A207 S214 E215 L216 L244	Y155-I210 HydrophobicContact CD1-CG2 3.84Å; Y155-I210 HydrophobicContact CD2-CG2 4.09Å; Y155-I210 HydrophobicContact CE1-CG2 4.33Å; Y155-I210 HydrophobicContact CG-CB 4.38Å; Y155-I210 HydrophobicContact CG-CG2 3.68Å; Q206-I210 HydrophobicContact CG-CD1 3.8Å; Q206-I210 WeakPolarHBondContact O-CB 3.44Å; Q206-I210 VanDerWaalsContact O-CG1 3.24Å; Q206-I210 WeakPolarHBondContact O-CG1 3.47Å; Q206-I210 PolarHBondContact O-N 3.49Å; A207-I210 PolarHBondContact O-N 3.42Å; I210-S214 WeakPolarHBondContact O-CA 3.4Å; I210-S214 PolarHBondContact O-N 3.31Å; I210-E215 HydrophobicContact CG1-CB 4.4Å; I210-E215 WeakPolarHBondContact CG1-OE2 3.21Å; I210-E215 HydrophobicContact CG2-CB 4.36Å; I210-E215 PolarHBondContact O-N 2.91Å; I210-L216 HydrophobicContact CG2-CD1 4.36Å; I210-L216 HydrophobicContact CG2-CG 3.85Å; I210-L244 HydrophobicContact CD1-CD1 4.38Å
211	W	98.2	Very high	97.5	Very high	91 Å²	91	32.6 Å²	32.6	35%	0.345	16%	0.155	S	C	.	.	H	α-helix	trans	-65.8	-53	179.4	175.6	-98.9	0	0	0	112.9	W139 W150 V151 Y155 A207 V208 R209 N213 S214	W139-W211 AromaticContact CD1-NE1 3.37Å; W139-W211 AromaticContact CD2-CD1 3.38Å; W139-W211 AromaticContact CD2-NE1 3.5Å; W139-W211 AromaticContact CE2-CD1 3.25Å; W139-W211 AromaticContact CE2-CE2 3.87Å; W139-W211 AromaticContact CE2-NE1 3.04Å; W139-W211 AromaticContact CE3-CD1 3.72Å; W139-W211 AromaticContact CG-CD1 3.94Å; W139-W211 AromaticContact CG-NE1 3.74Å; W139-W211 AromaticContact CH2-CD1 3.88Å; W139-W211 HydrophobicContact CH2-CG 4.23Å; W139-W211 AromaticContact CZ2-CD1 3.54Å; W139-W211 HydrophobicContact CZ2-CD2 4.4Å; W139-W211 HydrophobicContact CZ2-CG 4.05Å; W139-W211 AromaticContact CZ2-NE1 3.56Å; W139-W211 AromaticContact CZ3-CD1 3.94Å; W139-W211 HydrophobicContact CZ3-CG 4.5Å; W139-W211 AromaticContact NE1-CD1 3.66Å; W139-W211 AromaticContact NE1-CE2 3.69Å; W139-W211 AromaticContact NE1-NE1 2.93Å; W150-W211 HydrophobicContact CZ3-CE3 4.42Å; W150-W211 AromaticContact CZ3-CZ3 3.93Å; W150-W211 HydrophobicContact CZ3-CZ3 3.93Å; V151-W211 HydrophobicContact CG1-CB 3.81Å; V151-W211 HydrophobicContact CG1-CG 4.26Å; V151-W211 HydrophobicContact CG2-CB 4.24Å; V151-W211 HydrophobicContact CG2-CD2 3.6Å; V151-W211 HydrophobicContact CG2-CE3 3.61Å; V151-W211 HydrophobicContact CG2-CG 3.92Å; V151-W211 HydrophobicContact CG2-CZ3 4.08Å; Y155-W211 AromaticContact CE2-CE3 3.75Å; Y155-W211 HydrophobicContact CE2-CE3 3.75Å; Y155-W211 HydrophobicContact CE2-CZ3 4.37Å; A207-W211 WeakPolarHBondContact O-CB 3.41Å; A207-W211 PolarHBondContact O-N 2.83Å; V208-W211 PolarHBondContact O-N 3.05Å; R209-W211 PolarHBondContact O-N 2.83Å; W211-N213 PolarHBondContact O-N 3.12Å; W211-S214 PolarHBondContact O-N 3.2Å; W211-S214 VanDerWaalsContact O-N 3.11Å
212	V	98.2	Very high	97.6	Very high	24 Å²	24	32.6 Å²	32.6	15%	0.145	16%	0.155	C	C	.	.	H	α-helix	trans	-58.2	-32.7	-177.2	164.6	0	0	0	0	112.1	R127 A136 W139 V208 R209	R127-V212 HydrophobicContact CG-CG1 3.65Å; A136-V212 HydrophobicContact CB-CG2 4.13Å; W139-V212 HydrophobicContact CE3-CG2 4.36Å; V208-V212 HydrophobicContact CG1-CG2 4.18Å; V208-V212 WeakPolarHBondContact O-CB 3.06Å; V208-V212 VanDerWaalsContact O-CG2 3.29Å; V208-V212 WeakPolarHBondContact O-CG2 3.19Å; V208-V212 PolarHBondContact O-N 3.02Å; R209-V212 PolarHBondContact O-N 3.29Å
213	N	97.8	Very high	97.8	Very high	1 Å²	1	30.6 Å²	30.6	1%	0.005	14%	0.142	C	C	.	.	H	α-helix	trans	-101.3	-1.9	-178.6	-63.1	-76	0	0	0	114.1	R56 M126 M128 R209 W211 E215	R56-N213 PolarHBondContact NH1-O 3.34Å; M126-N213 PolarHBondContact O-ND2 2.88Å; M128-N213 HydrophobicContact CG-CB 4.48Å; M128-N213 WeakPolarHBondContact CG-OD1 3.47Å; M128-N213 PolarHBondContact N-OD1 3.13Å; M128-N213 HydrophobicContact SD-CB 4.34Å; R209-N213 PolarHBondContact O-N 3.27Å; R209-N213 VanDerWaalsContact O-N 3.1Å; R209-N213 PolarHBondContact O-ND2 3.04Å; W211-N213 PolarHBondContact O-N 3.12Å; N213-E215 HydrophobicContact CB-CG 3.77Å; N213-E215 PolarHBondContact O-N 2.83Å
214	S	97.2	Very high	97.9	Very high	56 Å²	56	33 Å²	33	39%	0.392	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	39.5	-173.2	-49	0	0	0	0	112.6	I210 W211 L216 E217 E218	I210-S214 WeakPolarHBondContact O-CA 3.4Å; I210-S214 PolarHBondContact O-N 3.31Å; W211-S214 PolarHBondContact O-N 3.2Å; W211-S214 VanDerWaalsContact O-N 3.11Å; S214-L216 VanDerWaalsContact C-N 3.28Å; S214-L216 PolarHBondContact O-N 2.68Å; S214-E217 VanDerWaalsContact C-OE2 3.31Å; S214-E217 WeakPolarHBondContact CA-OE2 3.48Å; S214-E217 PolarHBondContact O-N 2.78Å; S214-E218 WeakPolarHBondContact O-CB 3.39Å; S214-E218 WeakPolarHBondContact O-CG 3.45Å; S214-E218 PolarHBondContact O-N 2.97Å
215	E	97.8	Very high	97.9	Very high	10 Å²	10	34.5 Å²	34.5	5%	0.047	17%	0.166	C	C	.	.	H	α-helix	trans	-57.3	-39	-166.4	-65.5	178.4	-159.4	0	0	112.5	M128 R209 I210 N213 I219	M128-E215 HydrophobicContact CE-CG 4.2Å; R209-E215 WeakPolarHBondContact CD-OE1 3.35Å; R209-E215 WeakPolarHBondContact CG-OE1 3.46Å; R209-E215 IonicContact CZ-OE1 3.72Å; R209-E215 IonicContact CZ-OE2 2.88Å; R209-E215 IonicContact NE-OE1 3.38Å; R209-E215 PolarHBondContact NE-OE1 2.87Å; R209-E215 IonicContact NE-OE2 3.15Å; R209-E215 PolarHBondContact NE-OE2 2.82Å; R209-E215 IonicContact NH2-OE1 3.7Å; R209-E215 IonicContact NH2-OE2 3.84Å; R209-E215 PolarHBondContact NH2-OE2 2.99Å; I210-E215 HydrophobicContact CG1-CB 4.4Å; I210-E215 WeakPolarHBondContact CG1-OE2 3.21Å; I210-E215 HydrophobicContact CG2-CB 4.36Å; I210-E215 PolarHBondContact O-N 2.91Å; N213-E215 HydrophobicContact CB-CG 3.77Å; N213-E215 PolarHBondContact O-N 2.83Å; E215-I219 VanDerWaalsContact O-CD1 3.28Å; E215-I219 WeakPolarHBondContact O-CD1 3.49Å; E215-I219 VanDerWaalsContact O-CG1 3.24Å; E215-I219 WeakPolarHBondContact O-CG1 3.49Å; E215-I219 PolarHBondContact O-N 2.97Å
216	L	97.7	Very high	97.9	Very high	16 Å²	16	34.2 Å²	34.2	8%	0.084	17%	0.165	C	C	.	.	H	α-helix	trans	-76.8	-39.5	-177	-59.2	-166.6	0	0	0	112.1	Y155 I210 S214 E218 I219 E220 L244 E245 I248	Y155-L216 HydrophobicContact CD1-CD1 3.66Å; Y155-L216 HydrophobicContact CE1-CD1 3.68Å; Y155-L216 HydrophobicContact CE1-CG 4.45Å; I210-L216 HydrophobicContact CG2-CD1 4.36Å; I210-L216 HydrophobicContact CG2-CG 3.85Å; S214-L216 VanDerWaalsContact C-N 3.28Å; S214-L216 PolarHBondContact O-N 2.68Å; L216-E218 VanDerWaalsContact C-N 3.3Å; L216-I219 HydrophobicContact CD2-CD1 4.24Å; L216-I219 PolarHBondContact O-N 3.46Å; L216-E220 PolarHBondContact O-N 3.24Å; L216-L244 HydrophobicContact CD1-CB 4.1Å; L216-L244 HydrophobicContact CD1-CD1 4.35Å; L216-L244 HydrophobicContact CD2-CB 4.27Å; L216-E245 HydrophobicContact CD2-CG 4.23Å; L216-I248 HydrophobicContact CB-CD1 3.79Å; L216-I248 HydrophobicContact CD1-CD1 4.18Å; L216-I248 HydrophobicContact CD2-CD1 3.96Å; L216-I248 HydrophobicContact CG-CD1 4.18Å
217	E	97.3	Very high	97.9	Very high	73 Å²	73	33.2 Å²	33.2	34%	0.341	16%	0.161	S	C	.	.	H	α-helix	trans	-63.9	-39.7	176.6	-64.5	71.8	-157	0	0	110.5	Y155 S214 I219 E220 Q221	Y155-E217 PolarHBondContact OH-OE1 3.45Å; S214-E217 VanDerWaalsContact C-OE2 3.31Å; S214-E217 WeakPolarHBondContact CA-OE2 3.48Å; S214-E217 PolarHBondContact O-N 2.78Å; E217-I219 VanDerWaalsContact C-N 3.34Å; E217-I219 PolarHBondContact O-N 3.45Å; E217-E220 PolarHBondContact O-N 2.94Å; E217-Q221 WeakPolarHBondContact O-CG 3.47Å; E217-Q221 PolarHBondContact O-N 3.47Å
218	E	98	Very high	97.7	Very high	22 Å²	22	38.1 Å²	38.1	10%	0.103	19%	0.187	C	C	.	.	H	α-helix	trans	-58	-45.4	174.6	-71.2	-77.7	109.3	0	0	111.7	P78 F79 S80 S214 L216 Q221 A222	P78-E218 WeakPolarHBondContact CB-OE2 3.37Å; F79-E218 HydrophobicContact CE1-CB 4.33Å; F79-E218 HydrophobicContact CE2-CB 3.99Å; F79-E218 HydrophobicContact CZ-CB 3.69Å; S80-E218 VanDerWaalsContact CB-CD 3.45Å; S80-E218 WeakPolarHBondContact CB-OE1 3.43Å; S80-E218 PolarHBondContact OG-OE1 3.17Å; S80-E218 PolarHBondContact OG-OE2 2.97Å; S80-E218 VanDerWaalsContact OG-OE2 3.13Å; S214-E218 WeakPolarHBondContact O-CB 3.39Å; S214-E218 WeakPolarHBondContact O-CG 3.45Å; S214-E218 PolarHBondContact O-N 2.97Å; L216-E218 VanDerWaalsContact C-N 3.3Å; E218-Q221 PolarHBondContact O-N 2.91Å; E218-A222 WeakPolarHBondContact O-CB 3.42Å; E218-A222 PolarHBondContact O-N 3.45Å
219	I	98.5	Very high	97.7	Very high	3 Å²	3	38.2 Å²	38.2	2%	0.015	19%	0.187	C	C	.	.	H	α-helix	trans	-61.3	-48.7	176.4	-65.8	159.5	0	0	0	110.7	F79 L102 E215 L216 E217 Q221 A222 L223 E245 I248 V249	F79-I219 HydrophobicContact CE2-CG1 4.34Å; F79-I219 HydrophobicContact CZ-CG1 4.12Å; L102-I219 HydrophobicContact CD1-CD1 3.68Å; L102-I219 HydrophobicContact CD1-CG1 3.88Å; L102-I219 HydrophobicContact CD1-CG2 4.36Å; L102-I219 HydrophobicContact CD2-CD1 4.21Å; L102-I219 HydrophobicContact CD2-CG1 3.73Å; L102-I219 HydrophobicContact CG-CD1 4.39Å; L102-I219 HydrophobicContact CG-CG1 4.38Å; E215-I219 VanDerWaalsContact O-CD1 3.28Å; E215-I219 WeakPolarHBondContact O-CD1 3.49Å; E215-I219 VanDerWaalsContact O-CG1 3.24Å; E215-I219 WeakPolarHBondContact O-CG1 3.49Å; E215-I219 PolarHBondContact O-N 2.97Å; L216-I219 HydrophobicContact CD2-CD1 4.24Å; L216-I219 PolarHBondContact O-N 3.46Å; E217-I219 VanDerWaalsContact C-N 3.34Å; E217-I219 PolarHBondContact O-N 3.45Å; I219-Q221 VanDerWaalsContact C-N 3.31Å; I219-Q221 PolarHBondContact O-N 3.27Å; I219-A222 PolarHBondContact O-N 2.9Å; I219-L223 HydrophobicContact CG2-CD1 3.67Å; I219-L223 HydrophobicContact CG2-CG 4.14Å; I219-L223 WeakPolarHBondContact O-CB 3.49Å; I219-L223 WeakPolarHBondContact O-CG 3.32Å; I219-L223 PolarHBondContact O-N 3.33Å; I219-E245 HydrophobicContact CD1-CB 4.25Å; I219-E245 HydrophobicContact CD1-CG 3.7Å; I219-I248 HydrophobicContact CG2-CB 4.45Å; I219-I248 HydrophobicContact CG2-CG2 3.78Å; I219-V249 HydrophobicContact CG2-CG2 4.28Å
220	E	98.3	Very high	97.8	Very high	86 Å²	86	36.9 Å²	36.9	40%	0.402	18%	0.183	S	C	.	.	H	α-helix	trans	-61.2	-40.4	-178.7	-72	-167.8	169.2	0	0	112.6	L216 E217 K224 I248	L216-E220 PolarHBondContact O-N 3.24Å; E217-E220 PolarHBondContact O-N 2.94Å; E220-K224 WeakPolarHBondContact O-CD 3.06Å; E220-K224 VanDerWaalsContact O-CG 3.24Å; E220-K224 WeakPolarHBondContact O-CG 3.18Å; E220-K224 PolarHBondContact O-N 2.88Å; E220-K224 VanDerWaalsContact O-N 3.09Å; E220-I248 HydrophobicContact CG-CD1 4.4Å; E220-I248 HydrophobicContact CG-CG2 3.81Å
221	Q	98.3	Very high	97.8	Very high	99 Å²	99	37.4 Å²	37.4	46%	0.463	19%	0.187	S	C	.	.	H	α-helix	trans	-68.3	-46.5	178.1	-72.3	-179.5	-5.6	0	0	111.7	E217 E218 I219 L223 K224 S225	E217-Q221 WeakPolarHBondContact O-CG 3.47Å; E217-Q221 PolarHBondContact O-N 3.47Å; E218-Q221 PolarHBondContact O-N 2.91Å; I219-Q221 VanDerWaalsContact C-N 3.31Å; I219-Q221 PolarHBondContact O-N 3.27Å; Q221-L223 VanDerWaalsContact C-N 3.35Å; Q221-L223 PolarHBondContact O-N 3.43Å; Q221-K224 PolarHBondContact O-N 3.17Å; Q221-S225 PolarHBondContact O-N 3.11Å; Q221-S225 PolarHBondContact O-OG 2.93Å
222	A	98.4	Very high	97.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-60	-43.8	177.5	0	0	0	0	0	112.4	F79 L82 L100 E218 I219 S225 S226	F79-A222 HydrophobicContact CD2-CB 3.52Å; F79-A222 HydrophobicContact CE2-CB 3.79Å; L82-A222 HydrophobicContact CD2-CB 3.8Å; L100-A222 HydrophobicContact CD1-CB 4.33Å; E218-A222 WeakPolarHBondContact O-CB 3.42Å; E218-A222 PolarHBondContact O-N 3.45Å; I219-A222 PolarHBondContact O-N 2.9Å; A222-S225 PolarHBondContact O-N 3.35Å; A222-S226 WeakPolarHBondContact O-CB 3.37Å; A222-S226 PolarHBondContact O-N 2.93Å
223	L	98.6	Very high	97.7	Very high	2 Å²	2	37.6 Å²	37.6	1%	0.01	21%	0.208	C	C	.	.	H	α-helix	trans	-62.3	-43.9	176.2	-71.9	176.4	0	0	0	112	I219 Q221 S225 S226 L236 I238 I248 V249 F252	I219-L223 HydrophobicContact CG2-CD1 3.67Å; I219-L223 HydrophobicContact CG2-CG 4.14Å; I219-L223 WeakPolarHBondContact O-CB 3.49Å; I219-L223 WeakPolarHBondContact O-CG 3.32Å; I219-L223 PolarHBondContact O-N 3.33Å; Q221-L223 VanDerWaalsContact C-N 3.35Å; Q221-L223 PolarHBondContact O-N 3.43Å; L223-S225 VanDerWaalsContact C-N 3.33Å; L223-S225 PolarHBondContact O-N 3.2Å; L223-S226 PolarHBondContact O-N 3.27Å; L223-S226 PolarHBondContact O-OG 3.15Å; L223-L236 HydrophobicContact CD2-CD2 3.88Å; L223-I238 HydrophobicContact CD2-CD1 3.33Å; L223-I248 HydrophobicContact CD1-CG2 3.86Å; L223-V249 HydrophobicContact CD1-CG2 4.38Å; L223-F252 HydrophobicContact CB-CD1 3.99Å; L223-F252 HydrophobicContact CB-CD2 3.84Å; L223-F252 HydrophobicContact CB-CE1 4Å; L223-F252 HydrophobicContact CB-CE2 3.86Å; L223-F252 HydrophobicContact CB-CG 3.9Å; L223-F252 HydrophobicContact CB-CZ 3.95Å; L223-F252 HydrophobicContact CD1-CB 3.85Å; L223-F252 HydrophobicContact CD1-CD1 4.1Å; L223-F252 HydrophobicContact CD1-CG 3.9Å; L223-F252 HydrophobicContact CD2-CD1 3.72Å; L223-F252 HydrophobicContact CD2-CE1 3.89Å; L223-F252 HydrophobicContact CD2-CG 4.32Å; L223-F252 HydrophobicContact CG-CD1 4.16Å; L223-F252 HydrophobicContact CG-CE1 4.45Å; L223-F252 HydrophobicContact CG-CG 4.28Å; L223-F252 VanDerWaalsContact O-CE2 3.31Å; L223-F252 WeakPolarHBondContact O-CE2 3.48Å; L223-F252 WeakPolarHBondContact O-CZ 3.49Å
224	K	97.3	Very high	97.7	Very high	129 Å²	129	37.6 Å²	37.6	56%	0.561	21%	0.209	S	C	*	.	H	α-helix	trans	-59.8	-46.4	176	-74.1	167.4	-170.9	167.8	0	111	E220 Q221 S226 L227	E220-K224 WeakPolarHBondContact O-CD 3.06Å; E220-K224 VanDerWaalsContact O-CG 3.24Å; E220-K224 WeakPolarHBondContact O-CG 3.18Å; E220-K224 PolarHBondContact O-N 2.88Å; E220-K224 VanDerWaalsContact O-N 3.09Å; Q221-K224 PolarHBondContact O-N 3.17Å; K224-S226 VanDerWaalsContact C-N 3.32Å; K224-S226 PolarHBondContact O-N 3.32Å; K224-L227 PolarHBondContact O-N 3.49Å
225	S	97.6	Very high	97.8	Very high	33 Å²	33	37.2 Å²	37.2	23%	0.231	20%	0.199	C	C	.	.	H	α-helix	trans	-64.8	-34.1	178.9	-64.6	0	0	0	0	112.6	Q221 A222 L223 L227 N228 V229	Q221-S225 PolarHBondContact O-N 3.11Å; Q221-S225 PolarHBondContact O-OG 2.93Å; A222-S225 PolarHBondContact O-N 3.35Å; L223-S225 VanDerWaalsContact C-N 3.33Å; L223-S225 PolarHBondContact O-N 3.2Å; S225-L227 PolarHBondContact O-N 3.07Å; S225-L227 VanDerWaalsContact O-N 3.09Å; S225-N228 PolarHBondContact O-N 3.41Å; S225-V229 WeakPolarHBondContact O-CG2 3.2Å; S225-V229 PolarHBondContact O-N 3.41Å; S225-V229 VanDerWaalsContact O-N 3.14Å
226	S	98	Very high	97.8	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.014	20%	0.196	C	C	.	.	H	α-helix	trans	-58.6	-27.9	-177.7	85.5	0	0	0	0	113.1	A222 L223 K224 N228 L230	A222-S226 WeakPolarHBondContact O-CB 3.37Å; A222-S226 PolarHBondContact O-N 2.93Å; L223-S226 PolarHBondContact O-N 3.27Å; L223-S226 PolarHBondContact O-OG 3.15Å; K224-S226 VanDerWaalsContact C-N 3.32Å; K224-S226 PolarHBondContact O-N 3.32Å; S226-N228 VanDerWaalsContact C-N 3.34Å; S226-N228 PolarHBondContact O-N 2.88Å; S226-L230 WeakPolarHBondContact O-CB 3.37Å; S226-L230 WeakPolarHBondContact O-CD1 3.37Å; S226-L230 VanDerWaalsContact O-CG 3.28Å; S226-L230 WeakPolarHBondContact O-CG 3.39Å; S226-L230 PolarHBondContact O-N 2.91Å; S226-L230 VanDerWaalsContact O-N 3.12Å
227	L	96	Very high	97.8	Very high	18 Å²	18	36 Å²	36	9%	0.094	19%	0.192	C	C	.	.	H	α-helix	trans	-63.7	-38.2	177.3	-65.6	177.3	0	0	0	112.4	K224 S225 F252 N256 Q280 L281 R310	K224-L227 PolarHBondContact O-N 3.49Å; S225-L227 PolarHBondContact O-N 3.07Å; S225-L227 VanDerWaalsContact O-N 3.09Å; L227-F252 HydrophobicContact CD1-CE2 4.05Å; L227-F252 HydrophobicContact CD1-CZ 4.06Å; L227-F252 HydrophobicContact CD2-CZ 3.79Å; L227-F252 HydrophobicContact CG-CE2 4.24Å; L227-F252 HydrophobicContact CG-CZ 3.76Å; L227-N256 WeakPolarHBondContact CD1-OD1 3.34Å; L227-N256 HydrophobicContact CD2-CB 4.45Å; L227-Q280 HydrophobicContact CD2-CB 4.16Å; L227-L281 HydrophobicContact CD2-CD1 4.05Å; L227-L281 HydrophobicContact CD2-CD2 4.09Å; L227-L281 HydrophobicContact CD2-CG 3.86Å; L227-R310 PolarHBondContact O-NH1 3.27Å
228	N	95.2	Very high	97.9	Very high	104 Å²	104	32.5 Å²	32.5	56%	0.556	18%	0.176	S	C	*	.	H	α-helix	trans	-90.4	-24.9	-177.9	-61.9	-27.3	0	0	0	111.9	G93 S225 S226	G93-N228 PolarHBondContact N-O 3.38Å; S225-N228 PolarHBondContact O-N 3.41Å; S226-N228 VanDerWaalsContact C-N 3.34Å; S226-N228 PolarHBondContact O-N 2.88Å
229	V	97.9	Very high	97.9	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-77.4	-42.5	-177.9	166.1	0	0	0	0	112.1	I28 L82 V86 I92 G93 K94 I95 I98 S225	I28-V229 HydrophobicContact CD1-CG1 4.12Å; L82-V229 HydrophobicContact CD1-CB 4.27Å; L82-V229 HydrophobicContact CD1-CG1 4.35Å; L82-V229 HydrophobicContact CD1-CG2 3.78Å; V86-V229 HydrophobicContact CB-CG1 4.26Å; V86-V229 HydrophobicContact CB-CG2 4Å; V86-V229 HydrophobicContact CG1-CB 4.38Å; V86-V229 HydrophobicContact CG1-CG1 3.95Å; V86-V229 HydrophobicContact CG1-CG2 3.96Å; V86-V229 HydrophobicContact CG2-CG1 3.74Å; V86-V229 HydrophobicContact CG2-CG2 4.18Å; I92-V229 HydrophobicContact CD1-CG2 4.17Å; G93-V229 WeakPolarHBondContact CA-O 3.24Å; G93-V229 PolarHBondContact N-O 2.98Å; K94-V229 PolarHBondContact N-O 3.41Å; I95-V229 HydrophobicContact CB-CG1 3.8Å; I95-V229 WeakPolarHBondContact CB-O 3.15Å; I95-V229 HydrophobicContact CG1-CG1 3.36Å; I95-V229 HydrophobicContact CG2-CG1 4.34Å; I95-V229 PolarHBondContact N-O 2.83Å; I98-V229 HydrophobicContact CD1-CB 4.44Å; I98-V229 HydrophobicContact CD1-CG1 3.89Å; S225-V229 WeakPolarHBondContact O-CG2 3.2Å; S225-V229 PolarHBondContact O-N 3.41Å; S225-V229 VanDerWaalsContact O-N 3.14Å
230	L	98.6	Very high	97.9	Very high	4 Å²	4	31.4 Å²	31.4	2%	0.021	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	134.6	-177.6	-72.1	168.7	0	0	0	111.8	I95 I98 S226 L236 R310	I95-L230 HydrophobicContact CG2-CD2 4.24Å; I95-L230 CarbonylContact O-C 3.56Å; I95-L230 WeakPolarHBondContact O-CA 3.41Å; I95-L230 WeakPolarHBondContact O-CD2 3.32Å; I98-L230 HydrophobicContact CB-CD2 4.48Å; I98-L230 HydrophobicContact CD1-CD1 4.38Å; I98-L230 HydrophobicContact CD1-CD2 3.79Å; I98-L230 HydrophobicContact CD1-CG 3.79Å; I98-L230 HydrophobicContact CG1-CD2 3.77Å; I98-L230 HydrophobicContact CG1-CG 4.34Å; S226-L230 WeakPolarHBondContact O-CB 3.37Å; S226-L230 WeakPolarHBondContact O-CD1 3.37Å; S226-L230 VanDerWaalsContact O-CG 3.28Å; S226-L230 WeakPolarHBondContact O-CG 3.39Å; S226-L230 PolarHBondContact O-N 2.91Å; S226-L230 VanDerWaalsContact O-N 3.12Å; L230-L236 HydrophobicContact CD1-CB 4.12Å; L230-R310 HydrophobicContact CB-CB 3.87Å; L230-R310 HydrophobicContact CB-CG 4.04Å; L230-R310 HydrophobicContact CD1-CB 4.34Å
231	A	98.1	Very high	97.7	Very high	12 Å²	12	29.7 Å²	29.7	10%	0.099	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	154	164.6	0	0	0	0	0	110.5	G93 I95 G233 G234 R310	G93-A231 VanDerWaalsContact O-CA 3.23Å; G93-A231 WeakPolarHBondContact O-CA 3.46Å; G93-A231 VanDerWaalsContact O-CB 3.28Å; G93-A231 WeakPolarHBondContact O-CB 3.38Å; I95-A231 PolarHBondContact O-N 3.03Å; A231-G233 PolarHBondContact O-N 3.07Å; A231-G234 WeakPolarHBondContact O-CA 3.15Å; A231-G234 PolarHBondContact O-N 2.81Å; A231-R310 WeakPolarHBondContact O-CB 3.35Å; A231-R310 WeakPolarHBondContact O-CG 3.14Å
232	P	96.9	Very high	97.5	Very high	77 Å²	77	26.1 Å²	26.1	50%	0.5	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.6	132.8	167.8	-19.8	31.1	0	0	0	111.2	G234 N312	P232-G234 PolarHBondContact O-N 2.82Å; P232-N312 WeakPolarHBondContact CB-OD1 3.29Å
233	G	97.7	Very high	97.3	Very high	42 Å²	42	28.8 Å²	28.8	43%	0.433	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	83	-11.8	-169.9	0	0	0	0	0	114.5	A231 E309 R310	A231-G233 PolarHBondContact O-N 3.07Å; G233-E309 WeakPolarHBondContact O-CG 3.47Å; G233-R310 WeakPolarHBondContact CA-O 3.34Å; G233-R310 PolarHBondContact N-O 2.75Å
234	G	98.3	Very high	97.2	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.01	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	149.1	177.3	0	0	0	0	0	112.5	D96 A231 P232 E309 R310	D96-G234 CarbonylContact O-C 3.57Å; D96-G234 WeakPolarHBondContact O-CA 3.42Å; A231-G234 WeakPolarHBondContact O-CA 3.15Å; A231-G234 PolarHBondContact O-N 2.81Å; P232-G234 PolarHBondContact O-N 2.82Å; G234-E309 CarbonylContact O-C 3.47Å; G234-E309 WeakPolarHBondContact O-CA 3.19Å; G234-R310 WeakPolarHBondContact O-CB 3.32Å; G234-R310 PolarHBondContact O-N 3Å
235	R	98.5	Very high	97.2	Very high	48 Å²	48	23.2 Å²	23.2	18%	0.181	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	141.3	-170.8	-66.6	-161.6	178.8	176.7	6.1	114.2	G18 D96 G97 I98 A308 E309	G18-R235 WeakPolarHBondContact O-CD 3.4Å; G18-R235 PolarHBondContact O-NH1 3.3Å; D96-R235 PolarHBondContact O-N 2.85Å; G97-R235 CarbonylContact C-O 3.55Å; G97-R235 WeakPolarHBondContact CA-O 3.48Å; I98-R235 PolarHBondContact N-O 3.27Å; R235-A308 CarbonylContact C-O 3.45Å; R235-A308 WeakPolarHBondContact CA-O 3.13Å; R235-E309 HydrophobicContact CG-CB 4.49Å; R235-E309 HydrophobicContact CG-CG 4.29Å; R235-E309 IonicContact NE-OE2 3.7Å
236	L	98.5	Very high	97.2	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	115.2	172.6	-174	62.1	0	0	0	108.6	I98 L223 L230 I238 F252 M253 I307 A308	I98-L236 HydrophobicContact CB-CD1 3.82Å; I98-L236 HydrophobicContact CG2-CD1 3.96Å; L223-L236 HydrophobicContact CD2-CD2 3.88Å; L230-L236 HydrophobicContact CD1-CB 4.12Å; L236-I238 HydrophobicContact CD1-CD1 3.85Å; L236-I238 HydrophobicContact CD1-CG1 4.02Å; L236-I238 HydrophobicContact CD2-CD1 3.75Å; L236-I238 HydrophobicContact CG-CD1 3.63Å; L236-I238 HydrophobicContact CG-CG1 3.88Å; L236-F252 HydrophobicContact CD2-CE1 4.12Å; L236-M253 HydrophobicContact CD2-CE 4.17Å; L236-M253 HydrophobicContact CG-CE 4.32Å; L236-I307 CarbonylContact O-C 3.59Å; L236-I307 VanDerWaalsContact O-CA 3.28Å; L236-I307 WeakPolarHBondContact O-CA 3.5Å; L236-A308 PolarHBondContact N-O 3.12Å; L236-A308 PolarHBondContact O-N 3.36Å
237	S	98.7	Very high	97.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	111.7	-178.4	-167	0	0	0	0	108.9	A15 I98 L99 L100 L305	A15-S237 WeakPolarHBondContact CA-OG 3.23Å; A15-S237 PolarHBondContact O-OG 3.34Å; I98-S237 PolarHBondContact O-N 3.36Å; L99-S237 CarbonylContact C-O 3.49Å; L99-S237 VanDerWaalsContact CA-O 3.24Å; L99-S237 WeakPolarHBondContact CA-O 3.45Å; L100-S237 PolarHBondContact N-O 3.01Å; S237-L305 WeakPolarHBondContact OG-CD1 3.44Å
238	I	98.7	Very high	97.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	124.4	-171.4	-57.5	177.8	0	0	0	110.8	L100 L102 L223 L236 V249 M253 L305 R306	L100-I238 HydrophobicContact CB-CG1 4.16Å; L100-I238 HydrophobicContact CB-CG2 4.27Å; L100-I238 HydrophobicContact CD1-CD1 4.12Å; L100-I238 HydrophobicContact CD1-CG1 4.28Å; L100-I238 HydrophobicContact CG-CG1 4.46Å; L100-I238 CarbonylContact O-C 3.46Å; L100-I238 VanDerWaalsContact O-CA 3.31Å; L100-I238 WeakPolarHBondContact O-CA 3.41Å; L102-I238 HydrophobicContact CD1-CG2 3.63Å; L102-I238 HydrophobicContact CG-CG2 3.98Å; L223-I238 HydrophobicContact CD2-CD1 3.33Å; L236-I238 HydrophobicContact CD1-CD1 3.85Å; L236-I238 HydrophobicContact CD1-CG1 4.02Å; L236-I238 HydrophobicContact CD2-CD1 3.75Å; L236-I238 HydrophobicContact CG-CD1 3.63Å; L236-I238 HydrophobicContact CG-CG1 3.88Å; I238-V249 HydrophobicContact CB-CG1 4.14Å; I238-V249 HydrophobicContact CD1-CG1 3.96Å; I238-V249 HydrophobicContact CD1-CG2 4.41Å; I238-V249 HydrophobicContact CG2-CG1 4.2Å; I238-V249 HydrophobicContact CG2-CG2 3.79Å; I238-M253 HydrophobicContact CD1-CE 4.33Å; I238-L305 CarbonylContact O-C 3.5Å; I238-L305 WeakPolarHBondContact O-CA 3.45Å; I238-R306 PolarHBondContact N-O 2.58Å; I238-R306 PolarHBondContact O-N 3.19Å
239	I	98.3	Very high	97.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.1	171.8	-52.3	164.4	0	0	0	108.1	V10 L11 A15 L100 D101 L102 F241 V304 L305	V10-I239 WeakPolarHBondContact O-CD1 3.36Å; L11-I239 HydrophobicContact CB-CD1 4.2Å; L11-I239 HydrophobicContact CD1-CG2 4.31Å; A15-I239 HydrophobicContact CB-CD1 3.81Å; A15-I239 HydrophobicContact CB-CG1 4.16Å; L100-I239 PolarHBondContact O-N 2.56Å; D101-I239 HydrophobicContact CB-CD1 4.26Å; D101-I239 WeakPolarHBondContact OD1-CB 3.5Å; L102-I239 VanDerWaalsContact CB-O 3.26Å; L102-I239 WeakPolarHBondContact CB-O 3.11Å; L102-I239 VanDerWaalsContact CG-O 3.26Å; L102-I239 WeakPolarHBondContact CG-O 3.33Å; L102-I239 PolarHBondContact N-O 3.4Å; I239-F241 HydrophobicContact CG2-CE2 3.87Å; I239-F241 HydrophobicContact CG2-CZ 3.85Å; I239-V304 WeakPolarHBondContact CA-O 3.46Å; I239-L305 HydrophobicContact CG1-CD1 4.1Å
240	S	97.8	Very high	97.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.007	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.6	174.3	-57.7	0	0	0	0	109.4	S303 V304	S240-S303 CarbonylContact O-C 3.59Å; S240-S303 WeakPolarHBondContact O-CA 3.36Å; S240-V304 PolarHBondContact N-O 2.93Å; S240-V304 PolarHBondContact O-N 2.93Å
241	F	94.9	Very high	97.4	Very high	51 Å²	51	34.3 Å²	34.3	22%	0.224	17%	0.174	C	C	.	.	S	Bend	trans	-109.5	-11.6	-177.9	-67.9	-90.7	0	0	0	114	V10 D101 L102 I239 E245	V10-F241 HydrophobicContact CB-CE1 4.16Å; V10-F241 HydrophobicContact CB-CZ 4.15Å; V10-F241 HydrophobicContact CG1-CE1 4Å; V10-F241 HydrophobicContact CG1-CZ 4.25Å; V10-F241 HydrophobicContact CG2-CE1 4.03Å; V10-F241 HydrophobicContact CG2-CZ 4.34Å; D101-F241 WeakPolarHBondContact OD1-CE2 3.49Å; D101-F241 VanDerWaalsContact OD1-CZ 3.27Å; D101-F241 WeakPolarHBondContact OD1-CZ 3.44Å; L102-F241 WeakPolarHBondContact O-CD2 3.31Å; L102-F241 WeakPolarHBondContact O-CE2 3.27Å; I239-F241 HydrophobicContact CG2-CE2 3.87Å; I239-F241 HydrophobicContact CG2-CZ 3.85Å; F241-E245 PolarHBondContact N-OE2 3.35Å
242	H	93.7	Very high	97.4	Very high	24 Å²	24	34.7 Å²	34.7	11%	0.111	17%	0.173	C	C	.	.	S	Bend	trans	-139	166.7	172.5	62.6	86.3	0	0	0	114.1	L244 E245 D246	H242-L244 VanDerWaalsContact C-N 3.27Å; H242-L244 PolarHBondContact ND1-N 2.91Å; H242-L244 PolarHBondContact O-N 2.69Å; H242-E245 IonicContact CD2-OE1 3.8Å; H242-E245 IonicContact CD2-OE2 3.14Å; H242-E245 PolarHBondContact CD2-OE2 2.71Å; H242-E245 VanDerWaalsContact CD2-OE2 3.3Å; H242-E245 VanDerWaalsContact CE1-CG 3.44Å; H242-E245 WeakPolarHBondContact CE1-CG 3.34Å; H242-E245 IonicContact CG-OE2 2.88Å; H242-E245 PolarHBondContact N-OE2 2.81Å; H242-E245 VanDerWaalsContact N-OE2 3.11Å; H242-E245 WeakPolarHBondContact NE2-CG 3.47Å; H242-E245 IonicContact NE2-OE1 3.3Å; H242-E245 PolarHBondContact NE2-OE1 3.46Å; H242-E245 IonicContact NE2-OE2 2.66Å; H242-E245 PolarHBondContact O-N 2.96Å; H242-D246 PolarHBondContact O-N 3.25Å; H242-D246 VanDerWaalsContact O-N 3.09Å
243	S	94.2	Very high	97.4	Very high	55 Å²	55	31.4 Å²	31.4	39%	0.385	15%	0.151	S	C	.	.	H	α-helix	trans	-61.8	-30.6	-171.9	62	0	0	0	0	113.9	R247	S243-R247 WeakPolarHBondContact O-CB 3.42Å; S243-R247 PolarHBondContact O-N 3.37Å
244	L	95.8	Very high	97.3	Very high	13 Å²	13	34.4 Å²	34.4	7%	0.068	15%	0.15	C	C	.	.	H	α-helix	trans	-69.8	-48.4	178.5	-56.9	173.5	0	0	0	111.8	Y155 I210 L216 H242 R247 I248	Y155-L244 VanDerWaalsContact O-CD1 3.31Å; Y155-L244 WeakPolarHBondContact O-CD1 3.33Å; I210-L244 HydrophobicContact CD1-CD1 4.38Å; L216-L244 HydrophobicContact CD1-CB 4.1Å; L216-L244 HydrophobicContact CD1-CD1 4.35Å; L216-L244 HydrophobicContact CD2-CB 4.27Å; H242-L244 VanDerWaalsContact C-N 3.27Å; H242-L244 PolarHBondContact ND1-N 2.91Å; H242-L244 PolarHBondContact O-N 2.69Å; L244-R247 PolarHBondContact O-N 3.47Å; L244-I248 WeakPolarHBondContact O-CG1 3.24Å; L244-I248 PolarHBondContact O-N 3.29Å
245	E	97.6	Very high	97.1	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-57.4	-54.3	173.6	-69.1	164.6	160.2	0	0	110.4	L102 G103 L216 I219 F241 H242 R247 I248 V249	L102-E245 HydrophobicContact CD1-CB 4.21Å; L102-E245 HydrophobicContact CD1-CG 4.42Å; G103-E245 PolarHBondContact N-OE1 3.06Å; L216-E245 HydrophobicContact CD2-CG 4.23Å; I219-E245 HydrophobicContact CD1-CB 4.25Å; I219-E245 HydrophobicContact CD1-CG 3.7Å; F241-E245 PolarHBondContact N-OE2 3.35Å; H242-E245 IonicContact CD2-OE1 3.8Å; H242-E245 IonicContact CD2-OE2 3.14Å; H242-E245 PolarHBondContact CD2-OE2 2.71Å; H242-E245 VanDerWaalsContact CD2-OE2 3.3Å; H242-E245 VanDerWaalsContact CE1-CG 3.44Å; H242-E245 WeakPolarHBondContact CE1-CG 3.34Å; H242-E245 IonicContact CG-OE2 2.88Å; H242-E245 PolarHBondContact N-OE2 2.81Å; H242-E245 VanDerWaalsContact N-OE2 3.11Å; H242-E245 WeakPolarHBondContact NE2-CG 3.47Å; H242-E245 IonicContact NE2-OE1 3.3Å; H242-E245 PolarHBondContact NE2-OE1 3.46Å; H242-E245 IonicContact NE2-OE2 2.66Å; H242-E245 PolarHBondContact O-N 2.96Å; E245-R247 PolarHBondContact O-N 3.2Å; E245-R247 VanDerWaalsContact O-N 3.16Å; E245-I248 PolarHBondContact O-N 3.42Å; E245-V249 WeakPolarHBondContact O-CG2 3.41Å; E245-V249 PolarHBondContact O-N 3.37Å
246	D	97.7	Very high	96.9	Very high	29 Å²	29	38.2 Å²	38.2	16%	0.155	17%	0.17	C	C	.	.	H	α-helix	trans	-58.1	-37.1	-178.1	-179.8	66.1	0	0	0	111.6	H242 K250 V304 R306	H242-D246 PolarHBondContact O-N 3.25Å; H242-D246 VanDerWaalsContact O-N 3.09Å; D246-K250 WeakPolarHBondContact O-CB 3.37Å; D246-K250 PolarHBondContact O-N 2.79Å; D246-V304 WeakPolarHBondContact OD1-CG1 3.24Å; D246-R306 VanDerWaalsContact CG-NH2 3.31Å; D246-R306 IonicContact OD1-CZ 2.83Å; D246-R306 IonicContact OD1-NE 3.61Å; D246-R306 PolarHBondContact OD1-NE 3.44Å; D246-R306 IonicContact OD1-NH2 3.95Å; D246-R306 PolarHBondContact OD1-NH2 3.35Å; D246-R306 IonicContact OD2-CZ 3.79Å; D246-R306 IonicContact OD2-NE 3.42Å; D246-R306 IonicContact OD2-NH2 3.6Å; D246-R306 PolarHBondContact OD2-NH2 2.91Å
247	R	97.5	Very high	96.7	Very high	115 Å²	115	39.4 Å²	39.4	43%	0.434	18%	0.179	S	C	.	.	H	α-helix	trans	-64.7	-40.9	178.3	-177.4	-173	-57.8	161.6	3.7	111.8	E157 S243 L244 E245 R251	E157-R247 IonicContact OE1-NH2 3.22Å; S243-R247 WeakPolarHBondContact O-CB 3.42Å; S243-R247 PolarHBondContact O-N 3.37Å; L244-R247 PolarHBondContact O-N 3.47Å; E245-R247 PolarHBondContact O-N 3.2Å; E245-R247 VanDerWaalsContact O-N 3.16Å; R247-R251 WeakPolarHBondContact O-CB 3.27Å; R247-R251 PolarHBondContact O-N 3.39Å
248	I	98.2	Very high	96.1	Very high	23 Å²	23	45.7 Å²	45.7	12%	0.118	20%	0.202	C	C	.	.	H	α-helix	trans	-65	-52.7	177.2	-67.5	170.3	0	0	0	109.2	L216 I219 E220 L223 L244 E245 K250 R251 F252	L216-I248 HydrophobicContact CB-CD1 3.79Å; L216-I248 HydrophobicContact CD1-CD1 4.18Å; L216-I248 HydrophobicContact CD2-CD1 3.96Å; L216-I248 HydrophobicContact CG-CD1 4.18Å; I219-I248 HydrophobicContact CG2-CB 4.45Å; I219-I248 HydrophobicContact CG2-CG2 3.78Å; E220-I248 HydrophobicContact CG-CD1 4.4Å; E220-I248 HydrophobicContact CG-CG2 3.81Å; L223-I248 HydrophobicContact CD1-CG2 3.86Å; L244-I248 WeakPolarHBondContact O-CG1 3.24Å; L244-I248 PolarHBondContact O-N 3.29Å; E245-I248 PolarHBondContact O-N 3.42Å; I248-K250 PolarHBondContact O-N 3.23Å; I248-R251 PolarHBondContact O-N 3.39Å; I248-F252 WeakPolarHBondContact O-CB 3.25Å; I248-F252 PolarHBondContact O-N 3.46Å
249	V	98.5	Very high	95.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60	-48.1	-178.9	-178.9	0	0	0	0	111.1	L102 I219 L223 I238 E245 R251 F252 M253 R306	L102-V249 HydrophobicContact CD1-CG2 4.16Å; I219-V249 HydrophobicContact CG2-CG2 4.28Å; L223-V249 HydrophobicContact CD1-CG2 4.38Å; I238-V249 HydrophobicContact CB-CG1 4.14Å; I238-V249 HydrophobicContact CD1-CG1 3.96Å; I238-V249 HydrophobicContact CD1-CG2 4.41Å; I238-V249 HydrophobicContact CG2-CG1 4.2Å; I238-V249 HydrophobicContact CG2-CG2 3.79Å; E245-V249 WeakPolarHBondContact O-CG2 3.41Å; E245-V249 PolarHBondContact O-N 3.37Å; V249-R251 VanDerWaalsContact C-N 3.33Å; V249-R251 PolarHBondContact O-N 2.89Å; V249-F252 PolarHBondContact O-N 2.89Å; V249-M253 HydrophobicContact CG1-CE 3.81Å; V249-M253 HydrophobicContact CG1-CG 4.46Å; V249-M253 HydrophobicContact CG1-SD 4.12Å; V249-M253 WeakPolarHBondContact O-CG 3.3Å; V249-M253 PolarHBondContact O-N 3.39Å; V249-R306 HydrophobicContact CG1-CB 4.08Å; V249-R306 HydrophobicContact CG1-CG 4.41Å
250	K	98.1	Very high	94.2	Very high	107 Å²	107	48.9 Å²	48.9	47%	0.465	23%	0.226	S	C	.	.	H	α-helix	trans	-58.1	-45.2	177.2	-176.1	-177.2	-179.8	179	0	111.9	D246 I248 R254	D246-K250 WeakPolarHBondContact O-CB 3.37Å; D246-K250 PolarHBondContact O-N 2.79Å; I248-K250 PolarHBondContact O-N 3.23Å; K250-R254 WeakPolarHBondContact O-CB 3.46Å; K250-R254 PolarHBondContact O-N 3.12Å
251	R	97.7	Very high	93.2	Very high	121 Å²	121	55.7 Å²	55.7	46%	0.457	26%	0.258	S	S	.	.	H	α-helix	trans	-63.7	-50.3	-178.9	-179.9	-175.2	-52.2	-176.7	3.7	110	R247 I248 V249 R254 E255	R247-R251 WeakPolarHBondContact O-CB 3.27Å; R247-R251 PolarHBondContact O-N 3.39Å; I248-R251 PolarHBondContact O-N 3.39Å; V249-R251 VanDerWaalsContact C-N 3.33Å; V249-R251 PolarHBondContact O-N 2.89Å; R251-R254 PolarHBondContact O-N 2.89Å; R251-E255 WeakPolarHBondContact CD-OE1 3.35Å; R251-E255 HydrophobicContact CG-CG 4.41Å; R251-E255 WeakPolarHBondContact CG-OE1 3.39Å; R251-E255 WeakPolarHBondContact O-CB 3.22Å; R251-E255 WeakPolarHBondContact O-CG 3.45Å; R251-E255 PolarHBondContact O-N 3.17Å
252	F	97.9	Very high	92.4	Very high	20 Å²	20	55.6 Å²	55.6	9%	0.088	26%	0.261	C	S	.	.	H	α-helix	trans	-57.3	-51.5	178.8	172	-96.1	0	0	0	112	L223 L227 L236 I248 V249 R254 E255 N256 L281	L223-F252 HydrophobicContact CB-CD1 3.99Å; L223-F252 HydrophobicContact CB-CD2 3.84Å; L223-F252 HydrophobicContact CB-CE1 4Å; L223-F252 HydrophobicContact CB-CE2 3.86Å; L223-F252 HydrophobicContact CB-CG 3.9Å; L223-F252 HydrophobicContact CB-CZ 3.95Å; L223-F252 HydrophobicContact CD1-CB 3.85Å; L223-F252 HydrophobicContact CD1-CD1 4.1Å; L223-F252 HydrophobicContact CD1-CG 3.9Å; L223-F252 HydrophobicContact CD2-CD1 3.72Å; L223-F252 HydrophobicContact CD2-CE1 3.89Å; L223-F252 HydrophobicContact CD2-CG 4.32Å; L223-F252 HydrophobicContact CG-CD1 4.16Å; L223-F252 HydrophobicContact CG-CE1 4.45Å; L223-F252 HydrophobicContact CG-CG 4.28Å; L223-F252 VanDerWaalsContact O-CE2 3.31Å; L223-F252 WeakPolarHBondContact O-CE2 3.48Å; L223-F252 WeakPolarHBondContact O-CZ 3.49Å; L227-F252 HydrophobicContact CD1-CE2 4.05Å; L227-F252 HydrophobicContact CD1-CZ 4.06Å; L227-F252 HydrophobicContact CD2-CZ 3.79Å; L227-F252 HydrophobicContact CG-CE2 4.24Å; L227-F252 HydrophobicContact CG-CZ 3.76Å; L236-F252 HydrophobicContact CD2-CE1 4.12Å; I248-F252 WeakPolarHBondContact O-CB 3.25Å; I248-F252 PolarHBondContact O-N 3.46Å; V249-F252 PolarHBondContact O-N 2.89Å; F252-R254 VanDerWaalsContact C-N 3.3Å; F252-R254 PolarHBondContact O-N 2.87Å; F252-E255 PolarHBondContact O-N 3.29Å; F252-N256 VanDerWaalsContact CD2-ND2 3.29Å; F252-N256 WeakPolarHBondContact CD2-ND2 3.48Å; F252-N256 WeakPolarHBondContact CE2-ND2 3.38Å; F252-N256 PolarHBondContact O-N 3.35Å; F252-N256 PolarHBondContact O-ND2 3.4Å; F252-L281 HydrophobicContact CD1-CD1 4.25Å; F252-L281 HydrophobicContact CE1-CD1 3.58Å; F252-L281 HydrophobicContact CZ-CD1 4.2Å
253	M	97.6	Very high	91.8	Very high	8 Å²	8	58.7 Å²	58.7	4%	0.039	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-40.2	178.8	-71.9	-176.4	175.2	0	0	111.6	L236 I238 V249 S257 R306 A308	L236-M253 HydrophobicContact CD2-CE 4.17Å; L236-M253 HydrophobicContact CG-CE 4.32Å; I238-M253 HydrophobicContact CD1-CE 4.33Å; V249-M253 HydrophobicContact CG1-CE 3.81Å; V249-M253 HydrophobicContact CG1-CG 4.46Å; V249-M253 HydrophobicContact CG1-SD 4.12Å; V249-M253 WeakPolarHBondContact O-CG 3.3Å; V249-M253 PolarHBondContact O-N 3.39Å; M253-S257 WeakPolarHBondContact O-CB 3.42Å; M253-S257 PolarHBondContact O-N 3.44Å; M253-S257 PolarHBondContact O-OG 3.41Å; M253-R306 HydrophobicContact CE-CB 3.82Å; M253-R306 HydrophobicContact SD-CB 3.66Å; M253-A308 HydrophobicContact CE-CB 3.91Å; M253-A308 HydrophobicContact CG-CB 4.06Å; M253-A308 HydrophobicContact SD-CB 3.92Å
254	R	95.2	Very high	91.1	Very high	106 Å²	106	61.3 Å²	61.3	40%	0.4	31%	0.308	S	S	.	.	H	α-helix	trans	-65.8	-45.3	178.6	-179.2	-172	69.1	-170.1	-2.3	112.1	K250 R251 F252 S257 R258	K250-R254 WeakPolarHBondContact O-CB 3.46Å; K250-R254 PolarHBondContact O-N 3.12Å; R251-R254 PolarHBondContact O-N 2.89Å; F252-R254 VanDerWaalsContact C-N 3.3Å; F252-R254 PolarHBondContact O-N 2.87Å; R254-S257 PolarHBondContact O-N 3.12Å; R254-R258 VanDerWaalsContact O-CG 3.3Å; R254-R258 WeakPolarHBondContact O-CG 3.36Å; R254-R258 PolarHBondContact O-N 3.39Å
255	E	93.6	Very high	90.5	Very high	102 Å²	102	64.6 Å²	64.6	48%	0.477	35%	0.345	S	S	.	.	H	α-helix	trans	-63.1	-46.2	-179.5	-76.9	166.4	-171	0	0	110.8	R251 F252 S257 R258	R251-E255 WeakPolarHBondContact CD-OE1 3.35Å; R251-E255 HydrophobicContact CG-CG 4.41Å; R251-E255 WeakPolarHBondContact CG-OE1 3.39Å; R251-E255 WeakPolarHBondContact O-CB 3.22Å; R251-E255 WeakPolarHBondContact O-CG 3.45Å; R251-E255 PolarHBondContact O-N 3.17Å; F252-E255 PolarHBondContact O-N 3.29Å; E255-S257 VanDerWaalsContact C-N 3.26Å; E255-S257 PolarHBondContact O-N 2.93Å; E255-R258 PolarHBondContact O-N 3.4Å
256	N	94.9	Very high	89.8	Confident	27 Å²	27	69.2 Å²	69.2	14%	0.144	37%	0.37	C	S	.	.	H	α-helix	trans	-76.1	-10.2	179	-67.6	-72.3	0	0	0	114.1	L227 F252 R279 Q280 L281	L227-N256 WeakPolarHBondContact CD1-OD1 3.34Å; L227-N256 HydrophobicContact CD2-CB 4.45Å; F252-N256 VanDerWaalsContact CD2-ND2 3.29Å; F252-N256 WeakPolarHBondContact CD2-ND2 3.48Å; F252-N256 WeakPolarHBondContact CE2-ND2 3.38Å; F252-N256 PolarHBondContact O-N 3.35Å; F252-N256 PolarHBondContact O-ND2 3.4Å; N256-R279 CarbonylContact O-C 3.53Å; N256-Q280 HydrophobicContact CB-CB 4.45Å; N256-Q280 PolarHBondContact O-N 3.45Å; N256-Q280 PolarHBondContact OD1-OE1 2.85Å; N256-L281 HydrophobicContact CB-CB 4.11Å; N256-L281 HydrophobicContact CB-CD1 3.87Å; N256-L281 HydrophobicContact CB-CG 3.92Å; N256-L281 PolarHBondContact O-N 3.14Å
257	S	93.5	Very high	89.2	Confident	25 Å²	25	73.6 Å²	73.6	18%	0.175	40%	0.4	C	S	.	.	H	α-helix	trans	-95.4	-9.8	174.8	-59.7	0	0	0	0	114.7	M253 R254 E255 R279 L281 A283	M253-S257 WeakPolarHBondContact O-CB 3.42Å; M253-S257 PolarHBondContact O-N 3.44Å; M253-S257 PolarHBondContact O-OG 3.41Å; R254-S257 PolarHBondContact O-N 3.12Å; E255-S257 VanDerWaalsContact C-N 3.26Å; E255-S257 PolarHBondContact O-N 2.93Å; S257-R279 VanDerWaalsContact O-CD 3.22Å; S257-R279 WeakPolarHBondContact O-CD 3.26Å; S257-R279 WeakPolarHBondContact O-CG 3.49Å; S257-R279 PolarHBondContact O-NE 3.41Å; S257-L281 VanDerWaalsContact CA-O 3.27Å; S257-L281 WeakPolarHBondContact CA-O 3.21Å; S257-L281 PolarHBondContact OG-O 3.04Å; S257-A283 PolarHBondContact OG-N 2.7Å
258	R	86.8	Confident	88.5	Confident	132 Å²	132	70.7 Å²	70.7	50%	0.498	39%	0.392	S	S	.	.	H	α-helix	trans	-80.1	-26.4	-175.9	-82.7	169.3	175	-172.8	-5.4	113.4	R254 E255	R254-R258 VanDerWaalsContact O-CG 3.3Å; R254-R258 WeakPolarHBondContact O-CG 3.36Å; R254-R258 PolarHBondContact O-N 3.39Å; E255-R258 PolarHBondContact O-N 3.4Å
259	G	78.2	Confident	87.9	Confident	16 Å²	16	73.2 Å²	73.2	17%	0.165	41%	0.408	C	S	.	.			trans	71.3	-176.5	-171.3	0	0	0	0	0	111.1	Q261	G259-Q261 PolarHBondContact O-N 3.36Å; G259-Q261 PolarHBondContact O-NE2 3.25Å
260	P	77.7	Confident	87	Confident	50 Å²	50	80.4 Å²	80.4	33%	0.325	44%	0.441	S	S	.	.			trans	-59.9	130.3	-175	24.7	-34.4	0	0	0	111.4	V262 L276 G277	P260-V262 PolarHBondContact O-N 3.27Å; P260-L276 HydrophobicContact CB-CB 3.54Å; P260-L276 HydrophobicContact CB-CD1 3.96Å; P260-L276 HydrophobicContact CB-CG 4.42Å; P260-L276 HydrophobicContact CG-CB 4.05Å; P260-G277 VanDerWaalsContact CD-O 3.29Å; P260-G277 WeakPolarHBondContact CD-O 3.27Å; P260-G277 WeakPolarHBondContact CG-O 3.25Å
261	Q	78.9	Confident	86.2	Confident	145 Å²	145	81 Å²	81	68%	0.678	45%	0.446	S	S	*	.			trans	-92.1	96.9	177.1	-62.7	-59.8	-75.1	0	0	108.9	G259	G259-Q261 PolarHBondContact O-N 3.36Å; G259-Q261 PolarHBondContact O-NE2 3.25Å
262	V	77.4	Confident	85.6	Confident	49 Å²	49	79.4 Å²	79.4	30%	0.297	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-95.2	129.2	177.5	-176.4	0	0	0	0	109.5	P260 A264 L266 M268 L273 L276	P260-V262 PolarHBondContact O-N 3.27Å; V262-A264 PolarHBondContact O-N 3.27Å; V262-L266 HydrophobicContact CG1-CB 4.06Å; V262-L266 HydrophobicContact CG1-CD2 4.14Å; V262-M268 HydrophobicContact CG1-CG 4.47Å; V262-M268 HydrophobicContact CG1-SD 3.69Å; V262-M268 HydrophobicContact CG2-SD 4.06Å; V262-L273 HydrophobicContact CG2-CD2 3.65Å; V262-L276 HydrophobicContact CG2-CD1 3.47Å; V262-L276 VanDerWaalsContact CG2-CD1 3.47Å
263	P	80.5	Confident	84.7	Confident	89 Å²	89	81.8 Å²	81.8	58%	0.578	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-54.8	138.3	174	-25.4	34.4	0	0	0	111.8	G265 L266	P263-G265 PolarHBondContact O-N 3.06Å; P263-L266 PolarHBondContact O-N 2.89Å
264	A	79.6	Confident	83.8	Confident	110 Å²	110	89.1 Å²	89.1	91%	0.909	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	131.9	178.1	0	0	0	0	0	110.9	V262	V262-A264 PolarHBondContact O-N 3.27Å
265	G	82.7	Confident	83	Confident	82 Å²	82	91.1 Å²	91.1	85%	0.845	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.1	-2	177.9	0	0	0	0	0	115.6	P263 P267	P263-G265 PolarHBondContact O-N 3.06Å; G265-P267 VanDerWaalsContact O-CD 3.29Å; G265-P267 WeakPolarHBondContact O-CD 3.41Å
266	L	84.7	Confident	82.4	Confident	98 Å²	98	90.6 Å²	90.6	51%	0.513	50%	0.5	S	S	.	.			trans	-73.9	116.3	173.5	-160.3	79.7	0	0	0	109.9	V262 P263 M268	V262-L266 HydrophobicContact CG1-CB 4.06Å; V262-L266 HydrophobicContact CG1-CD2 4.14Å; P263-L266 PolarHBondContact O-N 2.89Å; L266-M268 HydrophobicContact CD2-CG 4.03Å; L266-M268 HydrophobicContact CD2-SD 3.9Å; L266-M268 HydrophobicContact CG-CG 4.37Å; L266-M268 PolarHBondContact O-N 3Å; L266-M268 VanDerWaalsContact O-N 3.13Å
267	P	84.5	Confident	81.4	Confident	121 Å²	121	90.7 Å²	90.7	79%	0.786	51%	0.508	S	S	*	.			trans	-72.7	109.5	179.2	28.6	-31.7	0	0	0	109.4	G265	G265-P267 VanDerWaalsContact O-CD 3.29Å; G265-P267 WeakPolarHBondContact O-CD 3.41Å
268	M	83	Confident	80.8	Confident	54 Å²	54	91 Å²	91	27%	0.266	52%	0.515	S	S	.	.			trans	-125.1	141.2	174.7	-64.1	-169	70.3	0	0	110.1	V262 L266 Q272 L273 L276	V262-M268 HydrophobicContact CG1-CG 4.47Å; V262-M268 HydrophobicContact CG1-SD 3.69Å; V262-M268 HydrophobicContact CG2-SD 4.06Å; L266-M268 HydrophobicContact CD2-CG 4.03Å; L266-M268 HydrophobicContact CD2-SD 3.9Å; L266-M268 HydrophobicContact CG-CG 4.37Å; L266-M268 PolarHBondContact O-N 3Å; L266-M268 VanDerWaalsContact O-N 3.13Å; M268-Q272 HydrophobicContact CB-CB 4.28Å; M268-Q272 HydrophobicContact CE-CB 3.52Å; M268-L273 HydrophobicContact CB-CD2 4.42Å; M268-L273 HydrophobicContact CB-CG 4.13Å; M268-L273 HydrophobicContact SD-CD2 4.32Å; M268-L276 HydrophobicContact CE-CD1 3.74Å; M268-L276 HydrophobicContact CE-CD2 4.46Å; M268-L276 HydrophobicContact CE-CG 4.09Å; M268-L276 HydrophobicContact SD-CD1 3.99Å
269	T	84.1	Confident	81	Confident	75 Å²	75	92.4 Å²	92.4	46%	0.46	52%	0.52	S	S	.	.			trans	-73	158.8	170	71.3	0	0	0	0	110.4	E271 Q272 L273	T269-E271 PolarHBondContact O-N 3.26Å; T269-Q272 PolarHBondContact O-N 3.45Å; T269-Q272 VanDerWaalsContact O-N 3.08Å; T269-Q272 WeakPolarHBondContact OG1-CG 3.4Å; T269-Q272 PolarHBondContact OG1-N 3.04Å; T269-Q272 VanDerWaalsContact OG1-N 3.15Å; T269-L273 PolarHBondContact O-N 3.23Å
270	E	80.4	Confident	81.7	Confident	151 Å²	151	94.7 Å²	94.7	71%	0.706	53%	0.527	S	S	*	.	H	α-helix	trans	-56.5	-33.8	173.3	-69.5	-174.9	179.8	0	0	112.4	L273 K274	E270-L273 PolarHBondContact O-N 3.43Å; E270-K274 WeakPolarHBondContact O-CG 3.33Å; E270-K274 PolarHBondContact O-N 2.87Å
271	E	81.4	Confident	82.6	Confident	119 Å²	119	92.3 Å²	92.3	56%	0.556	51%	0.511	S	S	*	.	H	α-helix	trans	-68.1	-41.2	176.9	-161.1	-168.6	147.4	0	0	111.6	T269 L273 K274 K275	T269-E271 PolarHBondContact O-N 3.26Å; E271-L273 VanDerWaalsContact C-N 3.34Å; E271-K274 PolarHBondContact O-N 3.41Å; E271-K275 WeakPolarHBondContact O-CG 3.49Å; E271-K275 PolarHBondContact O-N 3.48Å; E271-K275 VanDerWaalsContact OE1-CE 3.27Å; E271-K275 WeakPolarHBondContact OE1-CE 3.23Å; E271-K275 IonicContact OE1-NZ 2.72Å; E271-K275 PolarHBondContact OE1-NZ 2.58Å
272	Q	85	Confident	83.4	Confident	89 Å²	89	91.8 Å²	91.8	42%	0.416	50%	0.503	S	S	.	.	H	α-helix	trans	-65.2	-39.3	174.4	-69.1	171.9	-46.2	0	0	111.2	M268 T269 K275 L276	M268-Q272 HydrophobicContact CB-CB 4.28Å; M268-Q272 HydrophobicContact CE-CB 3.52Å; T269-Q272 PolarHBondContact O-N 3.45Å; T269-Q272 VanDerWaalsContact O-N 3.08Å; T269-Q272 WeakPolarHBondContact OG1-CG 3.4Å; T269-Q272 PolarHBondContact OG1-N 3.04Å; T269-Q272 VanDerWaalsContact OG1-N 3.15Å; Q272-K275 PolarHBondContact O-N 2.9Å; Q272-L276 PolarHBondContact O-N 3.4Å
273	L	79.4	Confident	84.4	Confident	70 Å²	70	92.2 Å²	92.2	37%	0.366	51%	0.512	S	S	.	.	H	α-helix	trans	-63.3	-44.4	174.7	-75.4	168.4	0	0	0	112.1	V262 M268 T269 E270 E271 K275 L276	V262-L273 HydrophobicContact CG2-CD2 3.65Å; M268-L273 HydrophobicContact CB-CD2 4.42Å; M268-L273 HydrophobicContact CB-CG 4.13Å; M268-L273 HydrophobicContact SD-CD2 4.32Å; T269-L273 PolarHBondContact O-N 3.23Å; E270-L273 PolarHBondContact O-N 3.43Å; E271-L273 VanDerWaalsContact C-N 3.34Å; L273-K275 VanDerWaalsContact C-N 3.28Å; L273-K275 PolarHBondContact O-N 3.1Å; L273-L276 HydrophobicContact CD2-CD1 4.44Å; L273-L276 WeakPolarHBondContact O-CB 3.34Å; L273-L276 PolarHBondContact O-N 2.95Å; L273-L276 VanDerWaalsContact O-N 3.11Å
274	K	77.8	Confident	85.1	Confident	161 Å²	161	91.3 Å²	91.3	70%	0.7	50%	0.501	S	S	*	.	H	α-helix	trans	-61.3	-36.8	175	-76.7	178.1	-177.6	175.2	0	112.1	E270 E271 L276 G277	E270-K274 WeakPolarHBondContact O-CG 3.33Å; E270-K274 PolarHBondContact O-N 2.87Å; E271-K274 PolarHBondContact O-N 3.41Å; K274-L276 PolarHBondContact O-N 3.44Å; K274-G277 PolarHBondContact O-N 3.18Å
275	K	80.1	Confident	85.8	Confident	148 Å²	148	88 Å²	88	64%	0.643	48%	0.478	S	S	*	.	H	α-helix	trans	-66.6	-20.3	175.9	-74.9	174	-174.5	169	0	113.6	E271 Q272 L273 G277	E271-K275 WeakPolarHBondContact O-CG 3.49Å; E271-K275 PolarHBondContact O-N 3.48Å; E271-K275 VanDerWaalsContact OE1-CE 3.27Å; E271-K275 WeakPolarHBondContact OE1-CE 3.23Å; E271-K275 IonicContact OE1-NZ 2.72Å; E271-K275 PolarHBondContact OE1-NZ 2.58Å; Q272-K275 PolarHBondContact O-N 2.9Å; L273-K275 VanDerWaalsContact C-N 3.28Å; L273-K275 PolarHBondContact O-N 3.1Å; K275-G277 PolarHBondContact O-N 3.28Å
276	L	79.3	Confident	86.5	Confident	92 Å²	92	90.5 Å²	90.5	48%	0.482	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-2.7	171.2	-60.7	178.7	0	0	0	113	P260 V262 M268 Q272 L273 K274	P260-L276 HydrophobicContact CB-CB 3.54Å; P260-L276 HydrophobicContact CB-CD1 3.96Å; P260-L276 HydrophobicContact CB-CG 4.42Å; P260-L276 HydrophobicContact CG-CB 4.05Å; V262-L276 HydrophobicContact CG2-CD1 3.47Å; V262-L276 VanDerWaalsContact CG2-CD1 3.47Å; M268-L276 HydrophobicContact CE-CD1 3.74Å; M268-L276 HydrophobicContact CE-CD2 4.46Å; M268-L276 HydrophobicContact CE-CG 4.09Å; M268-L276 HydrophobicContact SD-CD1 3.99Å; Q272-L276 PolarHBondContact O-N 3.4Å; L273-L276 HydrophobicContact CD2-CD1 4.44Å; L273-L276 WeakPolarHBondContact O-CB 3.34Å; L273-L276 PolarHBondContact O-N 2.95Å; L273-L276 VanDerWaalsContact O-N 3.11Å; K274-L276 PolarHBondContact O-N 3.44Å
277	G	73.9	Confident	87	Confident	29 Å²	29	89.6 Å²	89.6	30%	0.299	46%	0.461	S	S	.	.			trans	85.2	174.7	-175.6	0	0	0	0	0	112.9	P260 K274 K275	P260-G277 VanDerWaalsContact CD-O 3.29Å; P260-G277 WeakPolarHBondContact CD-O 3.27Å; P260-G277 WeakPolarHBondContact CG-O 3.25Å; K274-G277 PolarHBondContact O-N 3.18Å; K275-G277 PolarHBondContact O-N 3.28Å
278	G	82	Confident	87.6	Confident	32 Å²	32	89.9 Å²	89.9	33%	0.33	45%	0.454	S	S	.	.			trans	-108.1	-171.7	176	0	0	0	0	0	113.3	Q280 A313	G278-Q280 PolarHBondContact O-N 3.45Å; G278-A313 VanDerWaalsContact CA-CB 3.45Å
279	R	89.6	Confident	88	Confident	160 Å²	160	88.2 Å²	88.2	60%	0.604	45%	0.447	S	S	*	.			trans	-68.9	109	167.9	-61.2	174.2	176.7	172.1	2	107.5	N256 S257 L281 T311 A313	N256-R279 CarbonylContact O-C 3.53Å; S257-R279 VanDerWaalsContact O-CD 3.22Å; S257-R279 WeakPolarHBondContact O-CD 3.26Å; S257-R279 WeakPolarHBondContact O-CG 3.49Å; S257-R279 PolarHBondContact O-NE 3.41Å; R279-L281 PolarHBondContact O-N 3.45Å; R279-T311 VanDerWaalsContact O-CB 3.3Å; R279-T311 WeakPolarHBondContact O-CB 3.24Å; R279-T311 WeakPolarHBondContact O-CG2 3.31Å; R279-T311 PolarHBondContact O-OG1 3.35Å; R279-A313 VanDerWaalsContact O-CB 3.3Å; R279-A313 WeakPolarHBondContact O-CB 3.08Å
280	Q	93.9	Very high	88.4	Confident	65 Å²	65	86.7 Å²	86.7	30%	0.304	45%	0.446	S	S	.	.	S	Bend	trans	-68	-26.9	-179.2	-65.4	-173.9	-62.7	0	0	112.7	L227 N256 G278 R310 T311	L227-Q280 HydrophobicContact CD2-CB 4.16Å; N256-Q280 HydrophobicContact CB-CB 4.45Å; N256-Q280 PolarHBondContact O-N 3.45Å; N256-Q280 PolarHBondContact OD1-OE1 2.85Å; G278-Q280 PolarHBondContact O-N 3.45Å; Q280-R310 WeakPolarHBondContact O-CD 3.42Å; Q280-T311 PolarHBondContact O-N 3.4Å; Q280-T311 PolarHBondContact O-OG1 2.75Å
281	L	96.9	Very high	88.9	Confident	0 Å²	0	88.1 Å²	88.1	0%	0	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	157.5	175.9	-65	-179.2	0	0	0	111.8	L227 F252 N256 S257 R279 A308 E309	L227-L281 HydrophobicContact CD2-CD1 4.05Å; L227-L281 HydrophobicContact CD2-CD2 4.09Å; L227-L281 HydrophobicContact CD2-CG 3.86Å; F252-L281 HydrophobicContact CD1-CD1 4.25Å; F252-L281 HydrophobicContact CE1-CD1 3.58Å; F252-L281 HydrophobicContact CZ-CD1 4.2Å; N256-L281 HydrophobicContact CB-CB 4.11Å; N256-L281 HydrophobicContact CB-CD1 3.87Å; N256-L281 HydrophobicContact CB-CG 3.92Å; N256-L281 PolarHBondContact O-N 3.14Å; S257-L281 VanDerWaalsContact CA-O 3.27Å; S257-L281 WeakPolarHBondContact CA-O 3.21Å; S257-L281 PolarHBondContact OG-O 3.04Å; R279-L281 PolarHBondContact O-N 3.45Å; L281-A308 HydrophobicContact CB-CB 4.39Å; L281-A308 HydrophobicContact CD1-CB 4.25Å; L281-E309 CarbonylContact C-O 3.53Å; L281-E309 VanDerWaalsContact CA-O 3.29Å; L281-E309 WeakPolarHBondContact CA-O 3.5Å
282	R	96.4	Very high	89.4	Confident	134 Å²	134	90.4 Å²	90.4	51%	0.506	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	109.7	163.5	179.9	176	66.5	178.1	4.8	108.2	L284 A308 E309 T311	R282-L284 HydrophobicContact CG-CD2 4.23Å; R282-L284 PolarHBondContact O-N 3.43Å; R282-A308 CarbonylContact O-C 3.42Å; R282-A308 WeakPolarHBondContact O-CA 3.47Å; R282-E309 IonicContact CZ-OE1 3.93Å; R282-E309 VanDerWaalsContact CZ-OE1 3.22Å; R282-E309 PolarHBondContact N-O 3.43Å; R282-E309 IonicContact NE-OE1 3.36Å; R282-E309 PolarHBondContact NE-OE1 3.21Å; R282-E309 VanDerWaalsContact NH2-CD 3.27Å; R282-E309 IonicContact NH2-OE1 2.69Å; R282-E309 PolarHBondContact NH2-OE1 3.47Å; R282-E309 IonicContact NH2-OE2 3.45Å; R282-E309 PolarHBondContact NH2-OE2 2.92Å; R282-E309 PolarHBondContact O-N 2.89Å; R282-T311 HydrophobicContact CB-CG2 4.22Å
283	A	96.5	Very high	89.7	Confident	58 Å²	58	87.7 Å²	87.7	48%	0.479	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	124.4	173	0	0	0	0	0	110.4	S257	S257-A283 PolarHBondContact OG-N 2.7Å
284	L	96.8	Very high	90.2	Very high	69 Å²	69	85.7 Å²	85.7	36%	0.361	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-22.8	-178.6	-58.3	-174.8	0	0	0	112.5	R282 I307 E309	R282-L284 HydrophobicContact CG-CD2 4.23Å; R282-L284 PolarHBondContact O-N 3.43Å; L284-I307 HydrophobicContact CB-CB 4.22Å; L284-I307 HydrophobicContact CB-CG2 4.08Å; L284-I307 HydrophobicContact CD1-CG2 3.67Å; L284-I307 HydrophobicContact CG-CG2 4.22Å; L284-I307 PolarHBondContact N-O 3.43Å; L284-E309 HydrophobicContact CD1-CB 4.11Å; L284-E309 HydrophobicContact CD2-CB 4.22Å; L284-E309 HydrophobicContact CG-CB 4.27Å
285	G	94	Very high	90.8	Very high	41 Å²	41	81.9 Å²	81.9	42%	0.423	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	154.6	-172.9	175	0	0	0	0	0	113.8	I307	G285-I307 PolarHBondContact N-O 2.88Å; G285-I307 PolarHBondContact O-N 2.75Å
286	K	96.1	Very high	91.3	Very high	134 Å²	134	82.4 Å²	82.4	58%	0.583	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.3	169.2	69.2	171.8	-171.4	166.7	0	108.9	L305 R306	K286-L305 CarbonylContact C-O 3.25Å; K286-L305 WeakPolarHBondContact CA-O 3.39Å; K286-R306 HydrophobicContact CB-CG 4.49Å
287	L	96.5	Very high	91.7	Very high	80 Å²	80	78.5 Å²	78.5	42%	0.419	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	152.6	174	-67.5	165	0	0	0	108.8	E14 L305 I307	E14-L287 HydrophobicContact CB-CD1 4.13Å; E14-L287 HydrophobicContact CG-CD1 4.29Å; L287-L305 HydrophobicContact CB-CB 4.21Å; L287-L305 HydrophobicContact CB-CD2 4.29Å; L287-L305 HydrophobicContact CD1-CD2 3.98Å; L287-L305 PolarHBondContact N-O 3.17Å; L287-L305 PolarHBondContact O-N 2.96Å; L287-I307 HydrophobicContact CD1-CD1 4.47Å
288	M	96	Very high	92.3	Very high	127 Å²	127	80.1 Å²	80.1	63%	0.626	43%	0.43	S	S	*	.			trans	-131.1	152.2	173.1	-62.6	-175.2	-42.9	0	0	106.3	V304	M288-V304 HydrophobicContact CG-CG2 4.43Å
289	P	92.7	Very high	92.5	Very high	18 Å²	18	82 Å²	82	12%	0.117	43%	0.427	C	S	.	.			trans	-63.4	146.2	-179.2	26.8	-35.2	0	0	0	110.9	L11 E293 V294 A300 S303	L11-P289 HydrophobicContact CD2-CB 4.02Å; P289-E293 HydrophobicContact CB-CB 4.19Å; P289-E293 HydrophobicContact CB-CG 4.19Å; P289-E293 WeakPolarHBondContact CB-OE2 3.5Å; P289-V294 HydrophobicContact CB-CG2 3.99Å; P289-V294 HydrophobicContact CG-CG2 3.77Å; P289-A300 HydrophobicContact CB-CB 4.04Å; P289-A300 HydrophobicContact CG-CB 4Å; P289-A300 WeakPolarHBondContact CG-O 3.34Å; P289-S303 WeakPolarHBondContact CD-O 3.35Å; P289-S303 WeakPolarHBondContact CD-OG 3.35Å; P289-S303 WeakPolarHBondContact CG-OG 3.25Å
290	G	91.9	Very high	92.4	Very high	44 Å²	44	74.4 Å²	74.4	45%	0.454	40%	0.398	S	S	.	.			trans	-69.7	167.9	175.4	0	0	0	0	0	112.4	E292 E293 V294	G290-E292 VanDerWaalsContact C-N 3.27Å; G290-E292 PolarHBondContact O-N 3.04Å; G290-E293 PolarHBondContact O-N 3.4Å; G290-V294 WeakPolarHBondContact O-CG2 3.38Å; G290-V294 PolarHBondContact O-N 2.99Å
291	E	91.8	Very high	92.3	Very high	180 Å²	180	79.4 Å²	79.4	84%	0.841	41%	0.414	S	S	*	.	H	α-helix	trans	-61.1	-36.7	179.1	-64.1	-173.1	166.3	0	0	112.4	V294 A295	E291-V294 PolarHBondContact O-N 2.92Å; E291-A295 WeakPolarHBondContact O-CB 3.44Å; E291-A295 PolarHBondContact O-N 3.23Å
292	E	91.7	Very high	92.1	Very high	167 Å²	167	83.4 Å²	83.4	78%	0.78	44%	0.442	S	S	*	.	H	α-helix	trans	-63.4	-50.1	177.2	-65.2	179.1	177.9	0	0	111.6	G290 V294 A295 E296	G290-E292 VanDerWaalsContact C-N 3.27Å; G290-E292 PolarHBondContact O-N 3.04Å; E292-V294 VanDerWaalsContact C-N 3.3Å; E292-V294 PolarHBondContact O-N 3.38Å; E292-A295 WeakPolarHBondContact O-CB 3.46Å; E292-A295 PolarHBondContact O-N 3.06Å; E292-A295 VanDerWaalsContact O-N 3.12Å; E292-E296 PolarHBondContact O-N 3.4Å
293	E	90.3	Very high	92	Very high	32 Å²	32	77 Å²	77	15%	0.15	42%	0.418	C	S	.	.	H	α-helix	trans	-61.3	-39.7	177.2	-173.9	-176.3	172.4	0	0	111.4	V10 L11 P289 G290 A295 E296 N297 A300	V10-E293 WeakPolarHBondContact CA-OE1 3.27Å; L11-E293 PolarHBondContact N-OE1 2.97Å; P289-E293 HydrophobicContact CB-CB 4.19Å; P289-E293 HydrophobicContact CB-CG 4.19Å; P289-E293 WeakPolarHBondContact CB-OE2 3.5Å; G290-E293 PolarHBondContact O-N 3.4Å; E293-A295 VanDerWaalsContact C-N 3.32Å; E293-A295 PolarHBondContact O-N 3.5Å; E293-E296 PolarHBondContact O-N 3Å; E293-N297 CarbonylContact O-C 3.4Å; E293-N297 WeakPolarHBondContact O-CA 3.4Å; E293-N297 WeakPolarHBondContact O-CB 3.4Å; E293-N297 PolarHBondContact O-N 3.11Å; E293-A300 HydrophobicContact CG-CB 4.16Å
294	V	90.6	Very high	92.1	Very high	29 Å²	29	75.3 Å²	75.3	18%	0.176	40%	0.402	C	S	.	.	H	α-helix	trans	-68	-32.3	177.5	174	0	0	0	0	112.2	P289 G290 E291 E292 N297 P298 R301	P289-V294 HydrophobicContact CB-CG2 3.99Å; P289-V294 HydrophobicContact CG-CG2 3.77Å; G290-V294 WeakPolarHBondContact O-CG2 3.38Å; G290-V294 PolarHBondContact O-N 2.99Å; E291-V294 PolarHBondContact O-N 2.92Å; E292-V294 VanDerWaalsContact C-N 3.3Å; E292-V294 PolarHBondContact O-N 3.38Å; V294-N297 CarbonylContact O-C 3.56Å; V294-P298 WeakPolarHBondContact O-CA 3.44Å; V294-R301 HydrophobicContact CG1-CB 3.86Å; V294-R301 HydrophobicContact CG1-CG 3.95Å; V294-R301 HydrophobicContact CG2-CB 4.45Å
295	A	90.4	Very high	92.2	Very high	81 Å²	81	72 Å²	72	67%	0.669	39%	0.385	S	S	*	.	H	α-helix	trans	-70.2	-41.1	175.7	0	0	0	0	0	111.7	E291 E292 E293	E291-A295 WeakPolarHBondContact O-CB 3.44Å; E291-A295 PolarHBondContact O-N 3.23Å; E292-A295 WeakPolarHBondContact O-CB 3.46Å; E292-A295 PolarHBondContact O-N 3.06Å; E292-A295 VanDerWaalsContact O-N 3.12Å; E293-A295 VanDerWaalsContact C-N 3.32Å; E293-A295 PolarHBondContact O-N 3.5Å
296	E	89.3	Confident	92.4	Very high	159 Å²	159	71.5 Å²	71.5	74%	0.743	37%	0.37	S	S	*	.	H	α-helix	trans	-77.4	-35	177.8	-66.6	-169	165.9	0	0	113.1	E292 E293	E292-E296 PolarHBondContact O-N 3.4Å; E293-E296 PolarHBondContact O-N 3Å
297	N	88.6	Confident	92.5	Very high	10 Å²	10	66 Å²	66	5%	0.053	35%	0.347	C	S	.	.			trans	-131.9	86.7	-178.9	-173.5	3.1	0	0	0	110.8	T8 V10 E293 V294 R299 A300	T8-N297 PolarHBondContact O-ND2 3.34Å; V10-N297 WeakPolarHBondContact CG2-ND2 3.29Å; E293-N297 CarbonylContact O-C 3.4Å; E293-N297 WeakPolarHBondContact O-CA 3.4Å; E293-N297 WeakPolarHBondContact O-CB 3.4Å; E293-N297 PolarHBondContact O-N 3.11Å; V294-N297 CarbonylContact O-C 3.56Å; N297-R299 PolarHBondContact O-N 3.14Å; N297-R299 WeakPolarHBondContact OD1-CB 3.21Å; N297-R299 PolarHBondContact OD1-N 3.35Å; N297-A300 HydrophobicContact CB-CB 4.46Å; N297-A300 VanDerWaalsContact O-CB 3.27Å; N297-A300 WeakPolarHBondContact O-CB 3.36Å; N297-A300 PolarHBondContact O-N 2.94Å
298	P	87.2	Confident	92.6	Very high	63 Å²	63	62.2 Å²	62.2	41%	0.409	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-56.6	-20.5	179	-28.5	36	0	0	0	114.9	V294 A300 R301	V294-P298 WeakPolarHBondContact O-CA 3.44Å; P298-A300 VanDerWaalsContact C-N 3.26Å; P298-A300 PolarHBondContact O-N 3.41Å; P298-R301 WeakPolarHBondContact O-CB 3.46Å; P298-R301 PolarHBondContact O-N 2.87Å
299	R	85.5	Confident	92.7	Very high	72 Å²	72	57.7 Å²	57.7	27%	0.272	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-69.3	-25.2	176.2	-60.5	179.7	175.8	170.3	0.5	112.2	S106 D110 N297 R301	S106-R299 PolarHBondContact OG-NH1 3.04Å; D110-R299 IonicContact OD1-CZ 2.81Å; D110-R299 IonicContact OD1-NH1 3.7Å; D110-R299 IonicContact OD1-NH2 2.71Å; D110-R299 PolarHBondContact OD1-NH2 2.93Å; D110-R299 IonicContact OD2-CZ 2.69Å; D110-R299 IonicContact OD2-NH1 3.18Å; D110-R299 PolarHBondContact OD2-NH1 3.18Å; D110-R299 IonicContact OD2-NH2 3.6Å; D110-R299 PolarHBondContact OD2-NH2 2.97Å; N297-R299 PolarHBondContact O-N 3.14Å; N297-R299 WeakPolarHBondContact OD1-CB 3.21Å; N297-R299 PolarHBondContact OD1-N 3.35Å; R299-R301 VanDerWaalsContact C-N 3.26Å; R299-R301 PolarHBondContact O-N 2.91Å
300	A	88.2	Confident	92.9	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-67.1	-27	176.8	0	0	0	0	0	112.1	V10 P289 E293 N297 P298 S302 S303	V10-A300 HydrophobicContact CG1-CB 3.84Å; V10-A300 HydrophobicContact CG2-CB 4Å; P289-A300 HydrophobicContact CB-CB 4.04Å; P289-A300 HydrophobicContact CG-CB 4Å; P289-A300 WeakPolarHBondContact CG-O 3.34Å; E293-A300 HydrophobicContact CG-CB 4.16Å; N297-A300 HydrophobicContact CB-CB 4.46Å; N297-A300 VanDerWaalsContact O-CB 3.27Å; N297-A300 WeakPolarHBondContact O-CB 3.36Å; N297-A300 PolarHBondContact O-N 2.94Å; P298-A300 VanDerWaalsContact C-N 3.26Å; P298-A300 PolarHBondContact O-N 3.41Å; A300-S302 PolarHBondContact O-N 2.9Å; A300-S303 VanDerWaalsContact O-CB 3.24Å; A300-S303 WeakPolarHBondContact O-CB 3.2Å; A300-S303 PolarHBondContact O-N 3.2Å; A300-S303 PolarHBondContact O-OG 3.1Å
301	R	91	Very high	93.1	Very high	170 Å²	170	57.5 Å²	57.5	64%	0.642	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-43.9	-40.3	-167	-171.8	-177	-62.5	166.9	2.2	116.5	V294 P298 R299	V294-R301 HydrophobicContact CG1-CB 3.86Å; V294-R301 HydrophobicContact CG1-CG 3.95Å; V294-R301 HydrophobicContact CG2-CB 4.45Å; P298-R301 WeakPolarHBondContact O-CB 3.46Å; P298-R301 PolarHBondContact O-N 2.87Å; R299-R301 VanDerWaalsContact C-N 3.26Å; R299-R301 PolarHBondContact O-N 2.91Å
302	S	91.6	Very high	92.8	Very high	83 Å²	83	56 Å²	56	58%	0.58	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-101.5	4.2	-176.5	-61.5	0	0	0	0	113.7	A300	A300-S302 PolarHBondContact O-N 2.9Å
303	S	95.5	Very high	92.1	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.007	28%	0.278	C	S	.	.			trans	-71.5	144.2	-179.4	68.5	0	0	0	0	112.1	V10 S240 P289 A300	V10-S303 VanDerWaalsContact CG1-OG 3.32Å; V10-S303 WeakPolarHBondContact CG1-OG 3.35Å; S240-S303 CarbonylContact O-C 3.59Å; S240-S303 WeakPolarHBondContact O-CA 3.36Å; P289-S303 WeakPolarHBondContact CD-O 3.35Å; P289-S303 WeakPolarHBondContact CD-OG 3.35Å; P289-S303 WeakPolarHBondContact CG-OG 3.25Å; A300-S303 VanDerWaalsContact O-CB 3.24Å; A300-S303 WeakPolarHBondContact O-CB 3.2Å; A300-S303 PolarHBondContact O-N 3.2Å; A300-S303 PolarHBondContact O-OG 3.1Å
304	V	97.9	Very high	92.2	Very high	22 Å²	22	52.2 Å²	52.2	13%	0.133	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	121.6	175	-177.5	0	0	0	0	108	I239 S240 D246 M288 R306	I239-V304 WeakPolarHBondContact CA-O 3.46Å; S240-V304 PolarHBondContact N-O 2.93Å; S240-V304 PolarHBondContact O-N 2.93Å; D246-V304 WeakPolarHBondContact OD1-CG1 3.24Å; M288-V304 HydrophobicContact CG-CG2 4.43Å; V304-R306 HydrophobicContact CG1-CG 4.28Å
305	L	98.5	Very high	92.3	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	132.3	169.7	168.8	63.6	0	0	0	109.6	L11 E14 A15 S237 I238 I239 K286 L287 I307	L11-L305 HydrophobicContact CD1-CB 3.64Å; E14-L305 HydrophobicContact CB-CD2 3.62Å; A15-L305 HydrophobicContact CB-CD1 4.14Å; A15-L305 HydrophobicContact CB-CD2 4.23Å; S237-L305 WeakPolarHBondContact OG-CD1 3.44Å; I238-L305 CarbonylContact O-C 3.5Å; I238-L305 WeakPolarHBondContact O-CA 3.45Å; I239-L305 HydrophobicContact CG1-CD1 4.1Å; K286-L305 CarbonylContact C-O 3.25Å; K286-L305 WeakPolarHBondContact CA-O 3.39Å; L287-L305 HydrophobicContact CB-CB 4.21Å; L287-L305 HydrophobicContact CB-CD2 4.29Å; L287-L305 HydrophobicContact CD1-CD2 3.98Å; L287-L305 PolarHBondContact N-O 3.17Å; L287-L305 PolarHBondContact O-N 2.96Å; L305-I307 HydrophobicContact CD1-CG1 4.1Å; L305-I307 HydrophobicContact CD2-CD1 4.17Å; L305-I307 HydrophobicContact CD2-CG1 4.45Å; L305-I307 HydrophobicContact CG-CD1 4.35Å; L305-I307 HydrophobicContact CG-CG1 4.14Å
306	R	98.6	Very high	92.4	Very high	29 Å²	29	51.9 Å²	51.9	11%	0.109	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	136.2	170	-63.7	-172.8	176	-69.3	-12.4	110.3	I238 D246 V249 M253 K286 V304	I238-R306 PolarHBondContact N-O 2.58Å; I238-R306 PolarHBondContact O-N 3.19Å; D246-R306 VanDerWaalsContact CG-NH2 3.31Å; D246-R306 IonicContact OD1-CZ 2.83Å; D246-R306 IonicContact OD1-NE 3.61Å; D246-R306 PolarHBondContact OD1-NE 3.44Å; D246-R306 IonicContact OD1-NH2 3.95Å; D246-R306 PolarHBondContact OD1-NH2 3.35Å; D246-R306 IonicContact OD2-CZ 3.79Å; D246-R306 IonicContact OD2-NE 3.42Å; D246-R306 IonicContact OD2-NH2 3.6Å; D246-R306 PolarHBondContact OD2-NH2 2.91Å; V249-R306 HydrophobicContact CG1-CB 4.08Å; V249-R306 HydrophobicContact CG1-CG 4.41Å; M253-R306 HydrophobicContact CE-CB 3.82Å; M253-R306 HydrophobicContact SD-CB 3.66Å; K286-R306 HydrophobicContact CB-CG 4.49Å; V304-R306 HydrophobicContact CG1-CG 4.28Å
307	I	98.6	Very high	92.6	Very high	19 Å²	19	45.6 Å²	45.6	10%	0.097	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.8	180	-55.8	159.3	0	0	0	109.5	L236 L284 G285 L287 L305	L236-I307 CarbonylContact O-C 3.59Å; L236-I307 VanDerWaalsContact O-CA 3.28Å; L236-I307 WeakPolarHBondContact O-CA 3.5Å; L284-I307 HydrophobicContact CB-CB 4.22Å; L284-I307 HydrophobicContact CB-CG2 4.08Å; L284-I307 HydrophobicContact CD1-CG2 3.67Å; L284-I307 HydrophobicContact CG-CG2 4.22Å; L284-I307 PolarHBondContact N-O 3.43Å; G285-I307 PolarHBondContact N-O 2.88Å; G285-I307 PolarHBondContact O-N 2.75Å; L287-I307 HydrophobicContact CD1-CD1 4.47Å; L305-I307 HydrophobicContact CD1-CG1 4.1Å; L305-I307 HydrophobicContact CD2-CD1 4.17Å; L305-I307 HydrophobicContact CD2-CG1 4.45Å; L305-I307 HydrophobicContact CG-CD1 4.35Å; L305-I307 HydrophobicContact CG-CG1 4.14Å
308	A	98.3	Very high	92.9	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153.5	169.7	0	0	0	0	0	110.9	R235 L236 M253 L281 R282	R235-A308 CarbonylContact C-O 3.45Å; R235-A308 WeakPolarHBondContact CA-O 3.13Å; L236-A308 PolarHBondContact N-O 3.12Å; L236-A308 PolarHBondContact O-N 3.36Å; M253-A308 HydrophobicContact CE-CB 3.91Å; M253-A308 HydrophobicContact CG-CB 4.06Å; M253-A308 HydrophobicContact SD-CB 3.92Å; L281-A308 HydrophobicContact CB-CB 4.39Å; L281-A308 HydrophobicContact CD1-CB 4.25Å; R282-A308 CarbonylContact O-C 3.42Å; R282-A308 WeakPolarHBondContact O-CA 3.47Å
309	E	98.4	Very high	93.2	Very high	32 Å²	32	46.8 Å²	46.8	15%	0.15	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.1	175.6	-169.1	-175.5	77.8	0	0	110	G233 G234 R235 L281 R282 L284	G233-E309 WeakPolarHBondContact O-CG 3.47Å; G234-E309 CarbonylContact O-C 3.47Å; G234-E309 WeakPolarHBondContact O-CA 3.19Å; R235-E309 HydrophobicContact CG-CB 4.49Å; R235-E309 HydrophobicContact CG-CG 4.29Å; R235-E309 IonicContact NE-OE2 3.7Å; L281-E309 CarbonylContact C-O 3.53Å; L281-E309 VanDerWaalsContact CA-O 3.29Å; L281-E309 WeakPolarHBondContact CA-O 3.5Å; R282-E309 IonicContact CZ-OE1 3.93Å; R282-E309 VanDerWaalsContact CZ-OE1 3.22Å; R282-E309 PolarHBondContact N-O 3.43Å; R282-E309 IonicContact NE-OE1 3.36Å; R282-E309 PolarHBondContact NE-OE1 3.21Å; R282-E309 VanDerWaalsContact NH2-CD 3.27Å; R282-E309 IonicContact NH2-OE1 2.69Å; R282-E309 PolarHBondContact NH2-OE1 3.47Å; R282-E309 IonicContact NH2-OE2 3.45Å; R282-E309 PolarHBondContact NH2-OE2 2.92Å; R282-E309 PolarHBondContact O-N 2.89Å; L284-E309 HydrophobicContact CD1-CB 4.11Å; L284-E309 HydrophobicContact CD2-CB 4.22Å; L284-E309 HydrophobicContact CG-CB 4.27Å
310	R	97.8	Very high	93.8	Very high	27 Å²	27	45 Å²	45	10%	0.102	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	131.3	171.3	179.6	68.6	-164.1	-163.8	-6.8	109.4	L227 L230 A231 G233 G234 Q280	L227-R310 PolarHBondContact O-NH1 3.27Å; L230-R310 HydrophobicContact CB-CB 3.87Å; L230-R310 HydrophobicContact CB-CG 4.04Å; L230-R310 HydrophobicContact CD1-CB 4.34Å; A231-R310 WeakPolarHBondContact O-CB 3.35Å; A231-R310 WeakPolarHBondContact O-CG 3.14Å; G233-R310 WeakPolarHBondContact CA-O 3.34Å; G233-R310 PolarHBondContact N-O 2.75Å; G234-R310 WeakPolarHBondContact O-CB 3.32Å; G234-R310 PolarHBondContact O-N 3Å; Q280-R310 WeakPolarHBondContact O-CD 3.42Å
311	T	94.8	Very high	94.2	Very high	31 Å²	31	48.5 Å²	48.5	19%	0.19	26%	0.258	C	S	.	.			trans	-93.8	179.7	177.8	74.9	0	0	0	0	111.3	R279 Q280 R282 A313	R279-T311 VanDerWaalsContact O-CB 3.3Å; R279-T311 WeakPolarHBondContact O-CB 3.24Å; R279-T311 WeakPolarHBondContact O-CG2 3.31Å; R279-T311 PolarHBondContact O-OG1 3.35Å; Q280-T311 PolarHBondContact O-N 3.4Å; Q280-T311 PolarHBondContact O-OG1 2.75Å; R282-T311 HydrophobicContact CB-CG2 4.22Å; T311-A313 PolarHBondContact O-N 2.97Å; T311-A313 WeakPolarHBondContact OG1-CB 3.24Å; T311-A313 PolarHBondContact OG1-N 2.83Å; T311-A313 VanDerWaalsContact OG1-N 3.09Å
312	N	87	Confident	94.5	Very high	150 Å²	150	38.3 Å²	38.3	80%	0.802	23%	0.226	S	C	*	.			trans	-81.3	11.6	171.2	-61.6	-43.3	0	0	0	114	P232	P232-N312 WeakPolarHBondContact CB-OD1 3.29Å
313	A	77	Confident	94.7	Very high	66 Å²	66	34.3 Å²	34.3	55%	0.545	19%	0.194	S	C	.	.			trans	-70.9	0	-176.6	0	0	0	0	0	114.1	G278 R279 T311	G278-A313 VanDerWaalsContact CA-CB 3.45Å; R279-A313 VanDerWaalsContact O-CB 3.3Å; R279-A313 WeakPolarHBondContact O-CB 3.08Å; T311-A313 PolarHBondContact O-N 2.97Å; T311-A313 WeakPolarHBondContact OG1-CB 3.24Å; T311-A313 PolarHBondContact OG1-N 2.83Å; T311-A313 VanDerWaalsContact OG1-N 3.09Å

Retrieved 313 of 313 residues in 2160.2 ms (Link to these results)

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