A0A087Y9Z0_POEFO Loading...

Arylsulfatase G

AlphaFold DB , UniProt , Accession A0A087Y9Z0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 527 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	54.3	Low	60.2	Low	245 Å²	245	127.3 Å²	127.3	100%	1.207	67%	0.667	S	S	*	*				0	57	0	-62.3	173	-165.3	0	0	111.2
2	A	54.7	Low	61.2	Low	81 Å²	81	123.6 Å²	123.6	67%	0.669	65%	0.653	S	S	*	*			trans	-127.1	-1.5	-172.5	0	0	0	0	0	115
3	R	53.2	Low	62	Low	225 Å²	225	120.9 Å²	120.9	85%	0.849	65%	0.645	S	S	*	*	H	α-helix	trans	-76	-34.4	179.5	-81.4	-178.3	166.6	169.7	-4.1	116.2
4	P	55	Low	62.4	Low	95 Å²	95	120.8 Å²	120.8	62%	0.617	64%	0.644	S	S	*	*	H	α-helix	trans	-75.5	-28.9	-174.2	27.1	-31.2	0	0	0	113.3	L8	P4-L8 PolarHBondContact O-N 2.83Å
5	A	55.5	Low	62.6	Low	64 Å²	64	120.2 Å²	120.2	53%	0.529	64%	0.64	S	S	.	*	H	α-helix	trans	-70	-33.9	179.8	0	0	0	0	0	112.9	L9	A5-L9 PolarHBondContact O-N 2.94Å; A5-L9 VanDerWaalsContact O-N 3.13Å
6	F	62.7	Low	62.7	Low	150 Å²	150	116.2 Å²	116.2	66%	0.658	62%	0.624	S	S	*	*	H	α-helix	trans	-74.1	-36.1	-179.9	-157.5	-98.1	0	0	0	112.3	L10	F6-L10 HydrophobicContact CD1-CD1 3.9Å; F6-L10 HydrophobicContact CE1-CD1 3.53Å; F6-L10 HydrophobicContact CZ-CD1 4.25Å; F6-L10 PolarHBondContact O-N 2.94Å
7	Q	59.4	Low	62.6	Low	143 Å²	143	111.6 Å²	111.6	67%	0.668	61%	0.611	S	S	*	*	H	α-helix	trans	-67.7	-36.3	173.8	-81.4	179.1	-39.1	0	0	112.3	T11	Q7-T11 PolarHBondContact O-N 3.13Å; Q7-T11 VanDerWaalsContact O-N 3.14Å; Q7-T11 PolarHBondContact O-OG1 3.47Å; Q7-T11 VanDerWaalsContact O-OG1 3.06Å
8	L	65.6	Low	62.3	Low	117 Å²	117	111.7 Å²	111.7	61%	0.613	61%	0.61	S	S	*	*	H	α-helix	trans	-69.2	-38.1	177	-162.2	76.2	0	0	0	112.3	P4 T11 V12	P4-L8 PolarHBondContact O-N 2.83Å; L8-T11 PolarHBondContact O-OG1 3.46Å; L8-T11 VanDerWaalsContact O-OG1 3.04Å; L8-V12 VanDerWaalsContact O-CG2 3.26Å; L8-V12 WeakPolarHBondContact O-CG2 3.46Å; L8-V12 PolarHBondContact O-N 3.06Å; L8-V12 VanDerWaalsContact O-N 3.12Å
9	L	65.6	Low	62.1	Low	125 Å²	125	110.2 Å²	110.2	65%	0.654	60%	0.604	S	S	*	*	H	α-helix	trans	-65.4	-43	175.6	-119.9	92.5	0	0	0	111.6	A5 V12 T13	A5-L9 PolarHBondContact O-N 2.94Å; A5-L9 VanDerWaalsContact O-N 3.13Å; L9-V12 PolarHBondContact O-N 3.44Å; L9-T13 PolarHBondContact O-N 3.38Å; L9-T13 PolarHBondContact O-OG1 2.84Å
10	L	67.8	Low	61.8	Low	85 Å²	85	110.7 Å²	110.7	45%	0.445	60%	0.604	S	S	.	*	H	α-helix	trans	-64.2	-42.7	-179.6	-119.4	110	0	0	0	112	F6 T13 L14	F6-L10 HydrophobicContact CD1-CD1 3.9Å; F6-L10 HydrophobicContact CE1-CD1 3.53Å; F6-L10 HydrophobicContact CZ-CD1 4.25Å; F6-L10 PolarHBondContact O-N 2.94Å; L10-T13 WeakPolarHBondContact CA-OG1 3.35Å; L10-T13 PolarHBondContact O-N 3.12Å; L10-T13 PolarHBondContact O-OG1 3Å; L10-L14 HydrophobicContact CD2-CD1 4.34Å; L10-L14 WeakPolarHBondContact O-CB 3.27Å; L10-L14 PolarHBondContact O-N 2.81Å
11	T	68.6	Low	61.5	Low	70 Å²	70	112.6 Å²	112.6	43%	0.429	60%	0.604	S	S	.	*	H	α-helix	trans	-66.8	-40	177.4	47.5	0	0	0	0	112	Q7 L8 L14 L15	Q7-T11 PolarHBondContact O-N 3.13Å; Q7-T11 VanDerWaalsContact O-N 3.14Å; Q7-T11 PolarHBondContact O-OG1 3.47Å; Q7-T11 VanDerWaalsContact O-OG1 3.06Å; L8-T11 PolarHBondContact O-OG1 3.46Å; L8-T11 VanDerWaalsContact O-OG1 3.04Å; T11-L14 PolarHBondContact O-N 3.31Å; T11-L15 WeakPolarHBondContact O-CB 3.17Å; T11-L15 WeakPolarHBondContact O-CD1 3.4Å; T11-L15 PolarHBondContact O-N 3.09Å
12	V	72.2	Confident	61.3	Low	83 Å²	83	104.7 Å²	104.7	50%	0.503	57%	0.57	S	S	.	*	H	α-helix	trans	-63.5	-42.1	175.2	171.9	0	0	0	0	111.3	L8 L9 L15 S16	L8-V12 VanDerWaalsContact O-CG2 3.26Å; L8-V12 WeakPolarHBondContact O-CG2 3.46Å; L8-V12 PolarHBondContact O-N 3.06Å; L8-V12 VanDerWaalsContact O-N 3.12Å; L9-V12 PolarHBondContact O-N 3.44Å; V12-L15 PolarHBondContact O-N 3.46Å; V12-S16 VanDerWaalsContact O-CB 3.3Å; V12-S16 WeakPolarHBondContact O-CB 3.5Å; V12-S16 PolarHBondContact O-N 3.38Å; V12-S16 PolarHBondContact O-OG 2.89Å
13	T	71.1	Confident	61.1	Low	89 Å²	89	105.7 Å²	105.7	55%	0.546	57%	0.567	S	S	.	*	H	α-helix	trans	-66.5	-37.2	175.8	43.3	0	0	0	0	113.5	L9 L10 S16 G17	L9-T13 PolarHBondContact O-N 3.38Å; L9-T13 PolarHBondContact O-OG1 2.84Å; L10-T13 WeakPolarHBondContact CA-OG1 3.35Å; L10-T13 PolarHBondContact O-N 3.12Å; L10-T13 PolarHBondContact O-OG1 3Å; T13-S16 PolarHBondContact O-N 3.2Å; T13-G17 PolarHBondContact O-N 3.22Å
14	L	68.4	Low	60.6	Low	119 Å²	119	99.6 Å²	99.6	62%	0.623	56%	0.559	S	S	*	*	H	α-helix	trans	-68.9	-41.9	176.1	-94.4	148	0	0	0	112	L10 T11 G17 L18	L10-L14 HydrophobicContact CD2-CD1 4.34Å; L10-L14 WeakPolarHBondContact O-CB 3.27Å; L10-L14 PolarHBondContact O-N 2.81Å; T11-L14 PolarHBondContact O-N 3.31Å; L14-G17 PolarHBondContact O-N 3.02Å; L14-L18 WeakPolarHBondContact O-CB 3.46Å; L14-L18 PolarHBondContact O-N 2.83Å
15	L	64.9	Low	59.8	Low	112 Å²	112	101.2 Å²	101.2	59%	0.586	56%	0.558	S	S	*	*	H	α-helix	trans	-65.9	-39.4	174.1	-92	138	0	0	0	111.8	T11 V12 L18 V19	T11-L15 WeakPolarHBondContact O-CB 3.17Å; T11-L15 WeakPolarHBondContact O-CD1 3.4Å; T11-L15 PolarHBondContact O-N 3.09Å; V12-L15 PolarHBondContact O-N 3.46Å; L15-L18 PolarHBondContact O-N 2.65Å; L15-V19 WeakPolarHBondContact O-CB 3.43Å; L15-V19 VanDerWaalsContact O-CG2 3.25Å; L15-V19 WeakPolarHBondContact O-CG2 3.33Å; L15-V19 PolarHBondContact O-N 3.28Å
16	S	64	Low	59.3	Low	56 Å²	56	108.8 Å²	108.8	39%	0.392	57%	0.573	S	S	.	*	H	α-helix	trans	-64.8	-43.4	175.2	-53.4	0	0	0	0	111.3	V12 T13 V19 I20	V12-S16 VanDerWaalsContact O-CB 3.3Å; V12-S16 WeakPolarHBondContact O-CB 3.5Å; V12-S16 PolarHBondContact O-N 3.38Å; V12-S16 PolarHBondContact O-OG 2.89Å; T13-S16 PolarHBondContact O-N 3.2Å; S16-V19 PolarHBondContact O-N 3.03Å; S16-I20 WeakPolarHBondContact O-CB 3Å; S16-I20 WeakPolarHBondContact O-CD1 3.25Å; S16-I20 WeakPolarHBondContact O-CG1 3.02Å; S16-I20 PolarHBondContact O-N 3.38Å
17	G	60.4	Low	58.3	Low	38 Å²	38	104.6 Å²	104.6	39%	0.392	57%	0.572	S	S	.	*	H	α-helix	trans	-63.7	-38.5	174.8	0	0	0	0	0	113	T13 L14 I20 Y21	T13-G17 PolarHBondContact O-N 3.22Å; L14-G17 PolarHBondContact O-N 3.02Å; G17-I20 PolarHBondContact O-N 2.02Å; G17-Y21 VanDerWaalsContact O-CB 3.28Å; G17-Y21 WeakPolarHBondContact O-CB 3.01Å; G17-Y21 PolarHBondContact O-N 3Å
18	L	58.3	Low	58	Low	114 Å²	114	102.5 Å²	102.5	60%	0.597	58%	0.579	S	S	*	*	H	α-helix	trans	-71.6	-34.7	177	-155.6	81.8	0	0	0	112.5	L14 L15 Y21 T22	L14-L18 WeakPolarHBondContact O-CB 3.46Å; L14-L18 PolarHBondContact O-N 2.83Å; L15-L18 PolarHBondContact O-N 2.65Å; L18-Y21 PolarHBondContact O-N 2.04Å; L18-T22 WeakPolarHBondContact O-CB 3.05Å; L18-T22 VanDerWaalsContact O-CG2 3.3Å; L18-T22 WeakPolarHBondContact O-CG2 3.16Å; L18-T22 PolarHBondContact O-N 3.3Å; L18-T22 PolarHBondContact O-OG1 2.87Å
19	V	57.6	Low	58.3	Low	82 Å²	82	104 Å²	104	50%	0.497	58%	0.583	S	S	.	*	H	α-helix	trans	-69.5	-41.4	173.1	172.1	0	0	0	0	110.7	L15 S16 Y21 T22 V23	L15-V19 WeakPolarHBondContact O-CB 3.43Å; L15-V19 VanDerWaalsContact O-CG2 3.25Å; L15-V19 WeakPolarHBondContact O-CG2 3.33Å; L15-V19 PolarHBondContact O-N 3.28Å; S16-V19 PolarHBondContact O-N 3.03Å; V19-Y21 VanDerWaalsContact C-N 3.33Å; V19-Y21 PolarHBondContact O-N 3.05Å; V19-T22 WeakPolarHBondContact CA-OG1 3.43Å; V19-T22 PolarHBondContact O-N 2.97Å; V19-T22 PolarHBondContact O-OG1 2.88Å; V19-T22 VanDerWaalsContact O-OG1 3.1Å; V19-V23 HydrophobicContact CG1-CG2 4.31Å; V19-V23 WeakPolarHBondContact O-CB 3.28Å; V19-V23 WeakPolarHBondContact O-CG2 3.39Å; V19-V23 PolarHBondContact O-N 2.74Å
20	I	55.9	Low	59.4	Low	120 Å²	120	102.9 Å²	102.9	62%	0.615	57%	0.573	S	S	*	*	H	α-helix	trans	-64.7	-39.6	174.3	-65.8	163.1	0	0	0	110.6	S16 G17 S24	S16-I20 WeakPolarHBondContact O-CB 3Å; S16-I20 WeakPolarHBondContact O-CD1 3.25Å; S16-I20 WeakPolarHBondContact O-CG1 3.02Å; S16-I20 PolarHBondContact O-N 3.38Å; G17-I20 PolarHBondContact O-N 2.02Å; I20-S24 VanDerWaalsContact O-CB 3.23Å; I20-S24 WeakPolarHBondContact O-CB 3.14Å; I20-S24 PolarHBondContact O-N 3.42Å
21	Y	56.3	Low	60.7	Low	151 Å²	151	103.1 Å²	103.1	59%	0.592	57%	0.571	S	S	*	*	H	α-helix	trans	-67.3	-39.1	176.7	-162.5	-96.4	0	0	0	112.5	G17 L18 V19 S24 Q25	G17-Y21 VanDerWaalsContact O-CB 3.28Å; G17-Y21 WeakPolarHBondContact O-CB 3.01Å; G17-Y21 PolarHBondContact O-N 3Å; L18-Y21 PolarHBondContact O-N 2.04Å; V19-Y21 VanDerWaalsContact C-N 3.33Å; V19-Y21 PolarHBondContact O-N 3.05Å; Y21-S24 PolarHBondContact O-N 3.46Å; Y21-Q25 HydrophobicContact CD1-CG 4.18Å; Y21-Q25 HydrophobicContact CE1-CG 4.11Å; Y21-Q25 WeakPolarHBondContact O-CB 3.47Å; Y21-Q25 WeakPolarHBondContact O-CG 3.47Å; Y21-Q25 PolarHBondContact O-N 2.86Å; Y21-Q25 VanDerWaalsContact O-N 3.09Å
22	T	50.8	Low	62.1	Low	79 Å²	79	100.4 Å²	100.4	49%	0.485	55%	0.554	S	S	.	*	H	α-helix	trans	-75.2	-33.3	177.3	50	0	0	0	0	112.9	L18 V19 Q25 R26	L18-T22 WeakPolarHBondContact O-CB 3.05Å; L18-T22 VanDerWaalsContact O-CG2 3.3Å; L18-T22 WeakPolarHBondContact O-CG2 3.16Å; L18-T22 PolarHBondContact O-N 3.3Å; L18-T22 PolarHBondContact O-OG1 2.87Å; V19-T22 WeakPolarHBondContact CA-OG1 3.43Å; V19-T22 PolarHBondContact O-N 2.97Å; V19-T22 PolarHBondContact O-OG1 2.88Å; V19-T22 VanDerWaalsContact O-OG1 3.1Å; T22-Q25 PolarHBondContact O-N 2.98Å; T22-R26 PolarHBondContact O-N 2.82Å
23	V	49.9	Very low	63.3	Low	102 Å²	102	96.6 Å²	96.6	62%	0.618	53%	0.531	S	S	*	.	H	α-helix	trans	-68.2	-37.1	170.8	172.5	0	0	0	0	111.1	V19 Q25 R26	V19-V23 HydrophobicContact CG1-CG2 4.31Å; V19-V23 WeakPolarHBondContact O-CB 3.28Å; V19-V23 WeakPolarHBondContact O-CG2 3.39Å; V19-V23 PolarHBondContact O-N 2.74Å; V23-Q25 VanDerWaalsContact C-N 3.25Å; V23-Q25 PolarHBondContact O-N 3.2Å; V23-R26 PolarHBondContact O-N 3.29Å
24	S	42.8	Very low	64.7	Low	97 Å²	97	92.4 Å²	92.4	68%	0.678	51%	0.505	S	S	*	.	H	α-helix	trans	-73.2	-14.9	174.7	-160.3	0	0	0	0	113.8	I20 Y21	I20-S24 VanDerWaalsContact O-CB 3.23Å; I20-S24 WeakPolarHBondContact O-CB 3.14Å; I20-S24 PolarHBondContact O-N 3.42Å; Y21-S24 PolarHBondContact O-N 3.46Å
25	Q	38.9	Very low	66.1	Low	129 Å²	129	86.7 Å²	86.7	60%	0.603	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-6.4	176.1	-76.2	-85.6	-15	0	0	113.6	Y21 T22 V23 G27	Y21-Q25 HydrophobicContact CD1-CG 4.18Å; Y21-Q25 HydrophobicContact CE1-CG 4.11Å; Y21-Q25 WeakPolarHBondContact O-CB 3.47Å; Y21-Q25 WeakPolarHBondContact O-CG 3.47Å; Y21-Q25 PolarHBondContact O-N 2.86Å; Y21-Q25 VanDerWaalsContact O-N 3.09Å; T22-Q25 PolarHBondContact O-N 2.98Å; V23-Q25 VanDerWaalsContact C-N 3.25Å; V23-Q25 PolarHBondContact O-N 3.2Å; Q25-G27 PolarHBondContact O-N 3.26Å
26	R	43.6	Very low	67.7	Low	224 Å²	224	81.5 Å²	81.5	85%	0.845	45%	0.448	S	S	*	.	S	Bend	trans	-69.9	83.5	153.4	-84.9	-173.2	176.1	-177.1	-0.7	106.1	T22 V23 A28	T22-R26 PolarHBondContact O-N 2.82Å; V23-R26 PolarHBondContact O-N 3.29Å; R26-A28 PolarHBondContact O-N 2.94Å
27	G	41.3	Very low	69.4	Low	61 Å²	61	78.8 Å²	78.8	63%	0.629	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-46	129.6	177.6	0	0	0	0	0	108.8	Q25 E29	Q25-G27 PolarHBondContact O-N 3.26Å; G27-E29 PolarHBondContact O-N 2.78Å
28	A	55	Low	71.2	Confident	100 Å²	100	77.2 Å²	77.2	83%	0.826	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-46.5	120.3	175.3	0	0	0	0	0	107.8	R26 K30	R26-A28 PolarHBondContact O-N 2.94Å; A28-K30 PolarHBondContact O-N 3.47Å; A28-K30 VanDerWaalsContact O-N 3.09Å
29	E	70.3	Confident	73.1	Confident	147 Å²	147	71.8 Å²	71.8	69%	0.687	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-55.3	123.7	-177.3	-154.9	-176.8	168.5	0	0	107	G27 K31 R352	G27-E29 PolarHBondContact O-N 2.78Å; E29-K31 PolarHBondContact O-N 2.96Å; E29-R352 IonicContact OE1-CZ 3.29Å; E29-R352 IonicContact OE1-NH1 3.47Å; E29-R352 PolarHBondContact OE1-NH1 3.09Å; E29-R352 IonicContact OE1-NH2 2.91Å; E29-R352 PolarHBondContact OE1-NH2 2.8Å
30	K	88.9	Confident	75	Confident	103 Å²	103	67.9 Å²	67.9	45%	0.448	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-58.5	128.9	-173.8	-174.1	-177.7	176	-170.7	0	108.1	A28 D291 N294	A28-K30 PolarHBondContact O-N 3.47Å; A28-K30 VanDerWaalsContact O-N 3.09Å; K30-D291 VanDerWaalsContact CE-OD2 3.28Å; K30-D291 WeakPolarHBondContact CE-OD2 3.36Å; K30-D291 IonicContact NZ-OD1 3.63Å; K30-D291 PolarHBondContact NZ-OD1 3.33Å; K30-D291 IonicContact NZ-OD2 3.12Å; K30-D291 PolarHBondContact NZ-OD2 2.8Å; K30-N294 WeakPolarHBondContact CD-ND2 3.35Å; K30-N294 WeakPolarHBondContact CE-ND2 3.15Å; K30-N294 PolarHBondContact O-OD1 3.07Å
31	K	95.2	Very high	77	Confident	90 Å²	90	62.4 Å²	62.4	39%	0.391	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-57.3	131.6	175.6	-71.3	-168	-179.5	-165.6	0	109.3	E29 A126 Y128 P242 N294	E29-K31 PolarHBondContact O-N 2.96Å; K31-A126 PolarHBondContact NZ-O 3.04Å; K31-Y128 HydrophobicContact CD-CE2 3.93Å; K31-P242 HydrophobicContact CB-CB 3.91Å; K31-P242 HydrophobicContact CB-CG 4.06Å; K31-P242 HydrophobicContact CD-CG 4.26Å; K31-N294 PolarHBondContact O-ND2 2.99Å
32	P	97.8	Very high	78.9	Confident	12 Å²	12	55.2 Å²	55.2	8%	0.078	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-70.1	153.9	178.8	30.3	-36.5	0	0	0	111	F34 Y128 N294 W349 L375	P32-F34 HydrophobicContact CB-CE1 4.39Å; P32-F34 HydrophobicContact CB-CZ 4.22Å; P32-F34 HydrophobicContact CG-CE1 4.06Å; P32-F34 HydrophobicContact CG-CE2 4.03Å; P32-F34 HydrophobicContact CG-CZ 3.49Å; P32-F34 VanDerWaalsContact CG-CZ 3.49Å; P32-Y128 WeakPolarHBondContact O-CE1 3.28Å; P32-Y128 PolarHBondContact O-OH 3.39Å; P32-N294 CarbonylContact C-O 3.5Å; P32-N294 VanDerWaalsContact CA-O 3.32Å; P32-N294 WeakPolarHBondContact CA-O 3.27Å; P32-N294 WeakPolarHBondContact CA-OD1 3.26Å; P32-W349 HydrophobicContact CB-CH2 3.55Å; P32-W349 HydrophobicContact CB-CZ2 3.55Å; P32-W349 HydrophobicContact CG-CH2 4.02Å; P32-W349 HydrophobicContact CG-CZ2 4.46Å; P32-L375 WeakPolarHBondContact CG-O 3.23Å
33	N	98.8	Very high	81.2	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	152.8	166.9	-45.2	-60.1	0	0	0	109.8	P242 Y243 D291 N294 T295 L296	N33-P242 WeakPolarHBondContact OD1-CA 3.44Å; N33-Y243 WeakPolarHBondContact CA-O 3.39Å; N33-Y243 HydrophobicContact CB-CD1 3.79Å; N33-Y243 HydrophobicContact CB-CD2 4.27Å; N33-Y243 HydrophobicContact CB-CE1 3.46Å; N33-Y243 VanDerWaalsContact CB-CE1 3.46Å; N33-Y243 HydrophobicContact CB-CE2 3.97Å; N33-Y243 HydrophobicContact CB-CG 4.19Å; N33-Y243 WeakPolarHBondContact OD1-CD1 3.49Å; N33-Y243 PolarHBondContact OD1-N 3.25Å; N33-D291 PolarHBondContact ND2-OD2 3.13Å; N33-N294 PolarHBondContact N-O 2.95Å; N33-T295 HydrophobicContact CB-CG2 4.01Å; N33-T295 PolarHBondContact ND2-OG1 2.99Å; N33-T295 WeakPolarHBondContact O-CA 3.23Å; N33-L296 PolarHBondContact O-N 2.84Å
34	F	98.9	Very high	83.5	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	126.8	-179.2	-57.9	-72	0	0	0	110.2	P32 Y128 Y243 F244 L245 L296 V372 L375 A376	P32-F34 HydrophobicContact CB-CE1 4.39Å; P32-F34 HydrophobicContact CB-CZ 4.22Å; P32-F34 HydrophobicContact CG-CE1 4.06Å; P32-F34 HydrophobicContact CG-CE2 4.03Å; P32-F34 HydrophobicContact CG-CZ 3.49Å; P32-F34 VanDerWaalsContact CG-CZ 3.49Å; F34-Y128 HydrophobicContact CD2-CD1 4.46Å; F34-Y128 AromaticContact CD2-CE1 3.7Å; F34-Y128 HydrophobicContact CD2-CE1 3.7Å; F34-Y128 AromaticContact CE2-CE1 3.69Å; F34-Y128 HydrophobicContact CE2-CE1 3.69Å; F34-Y128 AromaticContact CE2-CZ 3.79Å; F34-Y128 WeakPolarHBondContact CE2-OH 3.45Å; F34-Y243 PolarHBondContact N-O 3Å; F34-F244 HydrophobicContact CB-CD2 3.92Å; F34-F244 WeakPolarHBondContact O-CA 3.47Å; F34-L245 PolarHBondContact O-N 3.11Å; F34-L296 HydrophobicContact CD1-CB 4.1Å; F34-L296 HydrophobicContact CD1-CD2 4.31Å; F34-V372 HydrophobicContact CD1-CG1 4.05Å; F34-V372 HydrophobicContact CD1-CG2 4.31Å; F34-V372 HydrophobicContact CD2-CG1 3.76Å; F34-V372 HydrophobicContact CE1-CG1 4.11Å; F34-V372 HydrophobicContact CE2-CG1 3.81Å; F34-V372 HydrophobicContact CG-CG1 3.86Å; F34-V372 HydrophobicContact CZ-CG1 3.97Å; F34-L375 HydrophobicContact CE1-CB 3.87Å; F34-L375 HydrophobicContact CE1-CD1 4.16Å; F34-L375 HydrophobicContact CZ-CB 3.79Å; F34-A376 HydrophobicContact CE2-CB 3.88Å; F34-A376 HydrophobicContact CZ-CB 4.14Å
35	I	98.9	Very high	86	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	116.1	168	-57.4	176.4	0	0	0	107.4	V37 I233 Y243 L245 V247 A287 T295 L296 I297 W298	I35-V37 HydrophobicContact CG2-CG2 4.04Å; I35-I233 HydrophobicContact CD1-CD1 3.83Å; I35-I233 HydrophobicContact CD1-CG1 4.39Å; I35-Y243 HydrophobicContact CD1-CE2 4.15Å; I35-Y243 HydrophobicContact CG1-CE2 3.73Å; I35-L245 CarbonylContact C-O 3.56Å; I35-L245 WeakPolarHBondContact CA-O 3.39Å; I35-L245 HydrophobicContact CG1-CB 4.37Å; I35-L245 HydrophobicContact CG1-CD2 4.47Å; I35-L245 HydrophobicContact CG2-CD2 4.47Å; I35-V247 HydrophobicContact CG2-CG2 4.43Å; I35-A287 HydrophobicContact CD1-CB 3.99Å; I35-T295 HydrophobicContact CD1-CG2 4.05Å; I35-T295 HydrophobicContact CG1-CG2 4.16Å; I35-L296 PolarHBondContact N-O 3.4Å; I35-I297 HydrophobicContact CB-CB 4.49Å; I35-I297 HydrophobicContact CB-CG1 4.19Å; I35-I297 HydrophobicContact CB-CG2 4.26Å; I35-I297 HydrophobicContact CD1-CD1 4.33Å; I35-I297 HydrophobicContact CD1-CG1 4.24Å; I35-I297 HydrophobicContact CG2-CG2 4.29Å; I35-I297 CarbonylContact O-C 3.42Å; I35-I297 VanDerWaalsContact O-CA 3.29Å; I35-I297 WeakPolarHBondContact O-CA 3.25Å; I35-W298 PolarHBondContact O-N 3.4Å
36	I	98.9	Very high	88.8	Confident	2 Å²	2	37.9 Å²	37.9	1%	0.01	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.7	172.1	-50.8	-59.1	0	0	0	107.1	F244 L245 L246 V247 L296 W298 I368 V372	I36-F244 HydrophobicContact CG1-CE2 3.71Å; I36-L245 PolarHBondContact N-O 3.37Å; I36-L246 HydrophobicContact CB-CD1 3.98Å; I36-L246 HydrophobicContact CG2-CD1 4.03Å; I36-L246 CarbonylContact O-C 3.36Å; I36-L246 WeakPolarHBondContact O-CA 3.46Å; I36-V247 PolarHBondContact O-N 2.78Å; I36-L296 HydrophobicContact CD1-CD2 4.41Å; I36-W298 CarbonylContact C-O 3.59Å; I36-W298 WeakPolarHBondContact CA-O 3.41Å; I36-W298 HydrophobicContact CD1-CB 3.6Å; I36-W298 HydrophobicContact CD1-CG 4.4Å; I36-I368 HydrophobicContact CD1-CG2 4.13Å; I36-I368 HydrophobicContact CG1-CG2 4.35Å; I36-I368 HydrophobicContact CG2-CD1 4.22Å; I36-V372 HydrophobicContact CD1-CG2 4.39Å
37	V	98.9	Very high	91.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	113.5	172.7	-174.3	0	0	0	0	107.7	I35 V247 V280 L283 I297 W298 F299 T300	I35-V37 HydrophobicContact CG2-CG2 4.04Å; V37-V247 WeakPolarHBondContact CA-O 3.23Å; V37-V247 HydrophobicContact CG2-CB 4.39Å; V37-V280 HydrophobicContact CG1-CG2 4.12Å; V37-L283 HydrophobicContact CG2-CD1 3.84Å; V37-I297 HydrophobicContact CG2-CG2 4.49Å; V37-W298 PolarHBondContact N-O 3.27Å; V37-F299 HydrophobicContact CB-CB 4.49Å; V37-F299 HydrophobicContact CB-CD2 3.92Å; V37-F299 HydrophobicContact CG1-CD2 3.7Å; V37-F299 HydrophobicContact CG1-CE2 4.11Å; V37-F299 WeakPolarHBondContact O-CA 3.37Å; V37-T300 PolarHBondContact O-N 3.47Å
38	L	98.6	Very high	94	Very high	4 Å²	4	24.9 Å²	24.9	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	102.4	179.6	-173.6	67.7	0	0	0	108.7	R86 I89 L246 V247 A248 S249 T300 D302	L38-R86 HydrophobicContact CD2-CG 3.9Å; L38-I89 HydrophobicContact CD1-CD1 3.72Å; L38-I89 HydrophobicContact CD2-CD1 4.02Å; L38-L246 HydrophobicContact CB-CD1 4.31Å; L38-V247 PolarHBondContact N-O 3.31Å; L38-A248 CarbonylContact O-C 3.57Å; L38-A248 WeakPolarHBondContact O-CA 3.5Å; L38-S249 PolarHBondContact O-N 2.8Å; L38-T300 WeakPolarHBondContact CA-O 3.45Å; L38-T300 HydrophobicContact CD1-CG2 3.8Å; L38-D302 HydrophobicContact CD1-CB 3.98Å; L38-D302 HydrophobicContact CD2-CB 4.11Å; L38-D302 HydrophobicContact CG-CB 4.04Å
39	A	97.8	Very high	95.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	150.9	175.3	0	0	0	0	0	111.1	I42 L276 F299 T300 G301 D302	A39-I42 HydrophobicContact CB-CB 4.05Å; A39-I42 HydrophobicContact CB-CD1 4.38Å; A39-I42 HydrophobicContact CB-CG2 3.65Å; A39-L276 HydrophobicContact CB-CD2 3.85Å; A39-F299 HydrophobicContact CB-CE2 4.28Å; A39-F299 HydrophobicContact CB-CZ 4.18Å; A39-T300 PolarHBondContact N-O 2.93Å; A39-G301 CarbonylContact O-C 3.44Å; A39-G301 WeakPolarHBondContact O-CA 3.36Å; A39-D302 PolarHBondContact O-N 3.47Å
40	D	97.8	Very high	97.2	Very high	0 Å²	0	15.1 Å²	15.1	0%	0	7%	0.072	C	C	.	.	S	Bend	trans	-101.2	128.7	-176.1	-157.9	2.8	0	0	0	109.7	I42 C82 R86 K135 H251 M252 H253 D302	D40-I42 PolarHBondContact O-N 2.92Å; D40-I42 VanDerWaalsContact O-N 3.12Å; D40-C82 PolarHBondContact OD1-SG 3.28Å; D40-R86 IonicContact OD1-NH2 3.97Å; D40-K135 IonicContact OD1-NZ 2.81Å; D40-K135 PolarHBondContact OD1-NZ 3.5Å; D40-K135 WeakPolarHBondContact OD2-CE 3.31Å; D40-K135 IonicContact OD2-NZ 2.65Å; D40-K135 PolarHBondContact OD2-NZ 3.49Å; D40-H251 WeakPolarHBondContact CB-O 3.48Å; D40-H251 PolarHBondContact N-O 2.79Å; D40-H251 CarbonylContact O-C 3.53Å; D40-M252 CarbonylContact O-C 3.57Å; D40-M252 WeakPolarHBondContact O-CA 3.13Å; D40-M252 WeakPolarHBondContact O-CB 3.47Å; D40-M252 PolarHBondContact O-N 2.83Å; D40-H253 HydrophobicContact CB-CB 3.96Å; D40-H253 VanDerWaalsContact CG-CB 3.45Å; D40-H253 IonicContact OD1-CD2 3.39Å; D40-H253 WeakPolarHBondContact OD2-CB 3.34Å; D40-H253 IonicContact OD2-CD2 3.06Å; D40-H253 IonicContact OD2-CG 2.78Å; D40-D302 WeakPolarHBondContact CA-OD1 3.25Å
41	D	97.4	Very high	97.4	Very high	5 Å²	5	11.1 Å²	11.1	3%	0.027	6%	0.055	C	C	.	.	S	Bend	trans	54	31.1	178.2	-62.9	-4.8	0	0	0	115.4	H253 D302 N303 P305 K333	D41-H253 VanDerWaalsContact CG-CD2 3.47Å; D41-H253 IonicContact OD1-CD2 3.46Å; D41-H253 IonicContact OD2-CD2 3.66Å; D41-H253 PolarHBondContact OD2-CD2 2.69Å; D41-H253 IonicContact OD2-CG 3.37Å; D41-H253 IonicContact OD2-NE2 2.74Å; D41-D302 PolarHBondContact N-OD1 3.08Å; D41-N303 PolarHBondContact OD1-ND2 3.32Å; D41-P305 VanDerWaalsContact O-CA 3.3Å; D41-P305 WeakPolarHBondContact O-CA 3.47Å; D41-K333 VanDerWaalsContact OD1-CD 3.31Å; D41-K333 WeakPolarHBondContact OD1-CD 3.44Å; D41-K333 WeakPolarHBondContact OD1-CE 3.32Å; D41-K333 IonicContact OD1-NZ 3.3Å; D41-K333 PolarHBondContact OD1-NZ 2.97Å; D41-K333 IonicContact OD2-NZ 3.01Å; D41-K333 PolarHBondContact OD2-NZ 3.12Å
42	I	97.4	Very high	97.1	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.			trans	-87.4	130.9	176.5	-162.9	174.4	0	0	0	110.7	A39 D40 D46 L47 L273 L276 F299 N303 P344	A39-I42 HydrophobicContact CB-CB 4.05Å; A39-I42 HydrophobicContact CB-CD1 4.38Å; A39-I42 HydrophobicContact CB-CG2 3.65Å; D40-I42 PolarHBondContact O-N 2.92Å; D40-I42 VanDerWaalsContact O-N 3.12Å; I42-D46 HydrophobicContact CD1-CB 4.13Å; I42-D46 HydrophobicContact CG1-CB 3.72Å; I42-D46 WeakPolarHBondContact CG1-OD2 3.46Å; I42-L47 HydrophobicContact CD1-CD1 3.94Å; I42-L273 HydrophobicContact CD1-CD1 4.15Å; I42-L276 HydrophobicContact CD1-CD2 4.2Å; I42-F299 HydrophobicContact CD1-CE1 4.31Å; I42-F299 HydrophobicContact CD1-CZ 3.81Å; I42-N303 VanDerWaalsContact O-O 3.04Å; I42-P344 HydrophobicContact CD1-CG 4.1Å; I42-P344 HydrophobicContact CG1-CG 4.09Å; I42-P344 HydrophobicContact CG2-CG 3.88Å
43	G	97.3	Very high	96.6	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.085	C	C	.	.			trans	-88.9	154.6	177	0	0	0	0	0	113.5	G45 D46 S315 P344	G43-G45 PolarHBondContact O-N 3.2Å; G43-G45 VanDerWaalsContact O-N 3.14Å; G43-D46 WeakPolarHBondContact CA-OD2 3.31Å; G43-D46 PolarHBondContact N-OD2 2.86Å; G43-D46 WeakPolarHBondContact O-CB 3.19Å; G43-D46 PolarHBondContact O-N 2.91Å; G43-S315 CarbonylContact C-O 3.44Å; G43-S315 VanDerWaalsContact CA-O 3.23Å; G43-S315 WeakPolarHBondContact CA-O 3.49Å; G43-P344 WeakPolarHBondContact O-CD 3.45Å; G43-P344 WeakPolarHBondContact O-CG 3.43Å
44	W	98.2	Very high	96.1	Very high	27 Å²	27	20.7 Å²	20.7	10%	0.102	11%	0.106	C	C	.	.	G	3₁₀ helix	trans	-54.9	-34.8	-179.7	-170.7	99.9	0	0	0	112.8	D46 N50 T73 S315 P318 F319	W44-D46 VanDerWaalsContact C-N 3.31Å; W44-D46 PolarHBondContact O-N 3.06Å; W44-N50 HydrophobicContact CD2-CB 4.29Å; W44-N50 HydrophobicContact CE3-CB 3.83Å; W44-N50 HydrophobicContact CH2-CB 3.72Å; W44-N50 HydrophobicContact CZ2-CB 4.2Å; W44-N50 HydrophobicContact CZ3-CB 3.54Å; W44-N50 WeakPolarHBondContact CZ3-O 3.29Å; W44-N50 WeakPolarHBondContact O-CB 3.42Å; W44-N50 PolarHBondContact O-ND2 3.37Å; W44-T73 HydrophobicContact CZ2-CG2 4.45Å; W44-T73 PolarHBondContact NE1-O 3.42Å; W44-T73 VanDerWaalsContact NE1-O 3.16Å; W44-S315 PolarHBondContact N-O 3.08Å; W44-P318 HydrophobicContact CZ3-CG 4.44Å; W44-F319 HydrophobicContact CB-CD2 4.06Å; W44-F319 HydrophobicContact CB-CE2 4.15Å; W44-F319 AromaticContact CD1-CE2 3.97Å; W44-F319 HydrophobicContact CD2-CD2 4.26Å; W44-F319 AromaticContact CD2-CE2 3.54Å; W44-F319 HydrophobicContact CD2-CE2 3.54Å; W44-F319 AromaticContact CE2-CE2 3.85Å; W44-F319 HydrophobicContact CE3-CD2 4.48Å; W44-F319 AromaticContact CE3-CE2 3.88Å; W44-F319 HydrophobicContact CE3-CE2 3.88Å; W44-F319 HydrophobicContact CG-CD2 4.07Å; W44-F319 AromaticContact CG-CE2 3.64Å; W44-F319 HydrophobicContact CG-CE2 3.64Å; W44-F319 HydrophobicContact CZ2-CE2 4.47Å; W44-F319 HydrophobicContact CZ3-CE2 4.48Å
45	G	97.3	Very high	95.2	Very high	3 Å²	3	28.7 Å²	28.7	3%	0.031	14%	0.143	C	C	.	.	G	3₁₀ helix	trans	-75	-11.9	179	0	0	0	0	0	114.7	G43 L47 Q51 S315	G43-G45 PolarHBondContact O-N 3.2Å; G43-G45 VanDerWaalsContact O-N 3.14Å; G45-L47 VanDerWaalsContact C-N 3.27Å; G45-L47 PolarHBondContact O-N 3.13Å; G45-Q51 VanDerWaalsContact C-NE2 3.27Å; G45-Q51 VanDerWaalsContact CA-NE2 3.29Å; G45-Q51 PolarHBondContact O-NE2 3.13Å; G45-S315 WeakPolarHBondContact CA-O 3.37Å; G45-S315 PolarHBondContact N-O 2.89Å
46	D	97.1	Very high	94.3	Very high	13 Å²	13	31.9 Å²	31.9	7%	0.07	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-70.2	-24.4	-172.4	-68.5	-33.3	0	0	0	113.8	I42 G43 W44 Y269 L273 G314 S315	I42-D46 HydrophobicContact CD1-CB 4.13Å; I42-D46 HydrophobicContact CG1-CB 3.72Å; I42-D46 WeakPolarHBondContact CG1-OD2 3.46Å; G43-D46 WeakPolarHBondContact CA-OD2 3.31Å; G43-D46 PolarHBondContact N-OD2 2.86Å; G43-D46 WeakPolarHBondContact O-CB 3.19Å; G43-D46 PolarHBondContact O-N 2.91Å; W44-D46 VanDerWaalsContact C-N 3.31Å; W44-D46 PolarHBondContact O-N 3.06Å; D46-Y269 WeakPolarHBondContact OD1-CE1 3.35Å; D46-Y269 PolarHBondContact OD2-OH 3.39Å; D46-L273 HydrophobicContact CB-CD1 4.41Å; D46-L273 HydrophobicContact CB-CD2 4.15Å; D46-L273 WeakPolarHBondContact O-CD2 3.39Å; D46-G314 WeakPolarHBondContact OD1-CA 3.44Å; D46-G314 WeakPolarHBondContact OD2-CA 3.44Å; D46-S315 PolarHBondContact OD1-N 3.32Å
47	L	96.9	Very high	93.7	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.19	C	C	.	.	S	Bend	trans	-77	126.8	174.4	-91	59	0	0	0	110.2	I42 G45 V49 N50 Q51 L62 F299 P344 V346	I42-L47 HydrophobicContact CD1-CD1 3.94Å; G45-L47 VanDerWaalsContact C-N 3.27Å; G45-L47 PolarHBondContact O-N 3.13Å; L47-V49 HydrophobicContact CB-CG1 3.84Å; L47-V49 HydrophobicContact CD2-CG1 4.08Å; L47-V49 HydrophobicContact CG-CG1 4.33Å; L47-V49 PolarHBondContact O-N 3.36Å; L47-N50 HydrophobicContact CB-CB 4.3Å; L47-N50 WeakPolarHBondContact O-CA 3.37Å; L47-N50 VanDerWaalsContact O-CB 3.32Å; L47-N50 WeakPolarHBondContact O-CB 3.39Å; L47-N50 PolarHBondContact O-N 2.86Å; L47-Q51 PolarHBondContact O-N 2.94Å; L47-L62 HydrophobicContact CD1-CD1 4.02Å; L47-L62 HydrophobicContact CG-CB 4.47Å; L47-L62 HydrophobicContact CG-CD1 4.14Å; L47-F299 HydrophobicContact CD1-CE1 3.86Å; L47-F299 HydrophobicContact CD1-CZ 4.33Å; L47-F299 HydrophobicContact CD2-CE1 4.28Å; L47-P344 HydrophobicContact CB-CB 4.38Å; L47-P344 HydrophobicContact CD1-CB 3.63Å; L47-P344 HydrophobicContact CD1-CG 3.81Å; L47-P344 HydrophobicContact CD2-CB 3.83Å; L47-P344 HydrophobicContact CG-CB 4.13Å; L47-V346 HydrophobicContact CD2-CG2 3.84Å
48	D	96.5	Very high	93.5	Very high	12 Å²	12	38.3 Å²	38.3	6%	0.064	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-59.6	-35.3	178.8	-54.8	-51.5	0	0	0	111.4	N50 Q51 P52 T56 N57 N58 T59 N63	D48-N50 PolarHBondContact O-N 3.04Å; D48-N50 VanDerWaalsContact O-N 3.15Å; D48-Q51 CarbonylContact O-C 3.59Å; D48-Q51 PolarHBondContact O-N 2.87Å; D48-P52 WeakPolarHBondContact O-CA 3.41Å; D48-P52 VanDerWaalsContact O-N 3.08Å; D48-T56 PolarHBondContact OD1-OG1 2.74Å; D48-N57 PolarHBondContact OD1-N 3.17Å; D48-N57 WeakPolarHBondContact OD2-CA 3.46Å; D48-N58 VanDerWaalsContact CG-N 3.33Å; D48-N58 PolarHBondContact OD1-N 2.68Å; D48-N58 VanDerWaalsContact OD1-N 3.07Å; D48-N58 PolarHBondContact OD2-N 2.98Å; D48-T59 PolarHBondContact N-OG1 3.39Å; D48-T59 PolarHBondContact OD2-N 2.93Å; D48-T59 PolarHBondContact OD2-OG1 3.27Å; D48-N63 PolarHBondContact OD2-ND2 3.39Å; D48-N63 VanDerWaalsContact OD2-ND2 3.13Å
49	V	95.7	Very high	93.4	Very high	32 Å²	32	38.1 Å²	38.1	19%	0.194	20%	0.196	C	C	.	.	G	3₁₀ helix	trans	-57.2	-27.6	175.3	48.6	0	0	0	0	112.4	L47 N63 A66 R71	L47-V49 HydrophobicContact CB-CG1 3.84Å; L47-V49 HydrophobicContact CD2-CG1 4.08Å; L47-V49 HydrophobicContact CG-CG1 4.33Å; L47-V49 PolarHBondContact O-N 3.36Å; V49-N63 WeakPolarHBondContact CB-OD1 3.41Å; V49-N63 PolarHBondContact N-OD1 3.13Å; V49-N63 VanDerWaalsContact N-OD1 3.08Å; V49-A66 HydrophobicContact CG1-CB 4.35Å; V49-A66 HydrophobicContact CG2-CB 4.15Å; V49-R71 PolarHBondContact O-NH1 3.22Å
50	N	96.6	Very high	93.4	Very high	11 Å²	11	40.8 Å²	40.8	6%	0.059	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-84.8	-17.9	176	-75.2	-4.7	0	0	0	113.8	W44 L47 D48 R71	W44-N50 HydrophobicContact CD2-CB 4.29Å; W44-N50 HydrophobicContact CE3-CB 3.83Å; W44-N50 HydrophobicContact CH2-CB 3.72Å; W44-N50 HydrophobicContact CZ2-CB 4.2Å; W44-N50 HydrophobicContact CZ3-CB 3.54Å; W44-N50 WeakPolarHBondContact CZ3-O 3.29Å; W44-N50 WeakPolarHBondContact O-CB 3.42Å; W44-N50 PolarHBondContact O-ND2 3.37Å; L47-N50 HydrophobicContact CB-CB 4.3Å; L47-N50 WeakPolarHBondContact O-CA 3.37Å; L47-N50 VanDerWaalsContact O-CB 3.32Å; L47-N50 WeakPolarHBondContact O-CB 3.39Å; L47-N50 PolarHBondContact O-N 2.86Å; D48-N50 PolarHBondContact O-N 3.04Å; D48-N50 VanDerWaalsContact O-N 3.15Å; N50-R71 WeakPolarHBondContact OD1-CD 3.39Å; N50-R71 PolarHBondContact OD1-NH1 2.97Å
51	Q	93.1	Very high	93.5	Very high	18 Å²	18	43.1 Å²	43.1	8%	0.084	23%	0.225	C	C	.	.			trans	-133.7	58.7	177.3	-61.8	-166.1	101.2	0	0	111	G45 L47 D48 E53 K54 S315	G45-Q51 VanDerWaalsContact C-NE2 3.27Å; G45-Q51 VanDerWaalsContact CA-NE2 3.29Å; G45-Q51 PolarHBondContact O-NE2 3.13Å; L47-Q51 PolarHBondContact O-N 2.94Å; D48-Q51 CarbonylContact O-C 3.59Å; D48-Q51 PolarHBondContact O-N 2.87Å; Q51-E53 WeakPolarHBondContact CA-OE1 3.46Å; Q51-E53 WeakPolarHBondContact CA-OE2 3.17Å; Q51-E53 WeakPolarHBondContact CB-OE1 3.33Å; Q51-E53 PolarHBondContact O-N 3.11Å; Q51-E53 VanDerWaalsContact O-N 3.09Å; Q51-K54 HydrophobicContact CB-CB 4.43Å; Q51-K54 HydrophobicContact CB-CD 3.97Å; Q51-K54 HydrophobicContact CB-CG 4.13Å; Q51-K54 VanDerWaalsContact CD-NZ 3.3Å; Q51-K54 HydrophobicContact CG-CD 4.47Å; Q51-K54 VanDerWaalsContact NE2-NZ 3.16Å; Q51-K54 PolarHBondContact O-N 3.3Å; Q51-S315 PolarHBondContact NE2-OG 2.99Å
52	P	88.7	Confident	93.5	Very high	85 Å²	85	42.9 Å²	42.9	55%	0.552	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-60.6	-24.3	-172.8	25.7	-35.7	0	0	0	113.5	D48 K54 H55	D48-P52 WeakPolarHBondContact O-CA 3.41Å; D48-P52 VanDerWaalsContact O-N 3.08Å; P52-K54 VanDerWaalsContact C-N 3.28Å; P52-K54 PolarHBondContact O-N 2.86Å; P52-H55 PolarHBondContact O-CE1 3.25Å; P52-H55 PolarHBondContact O-ND1 2.81Å
53	E	88.7	Confident	93.6	Very high	118 Å²	118	44.1 Å²	44.1	55%	0.551	23%	0.231	S	C	*	.	G	3₁₀ helix	trans	-69.1	-19.8	176.6	71.7	-69.1	161.1	0	0	114.2	Q51 H55	Q51-E53 WeakPolarHBondContact CA-OE1 3.46Å; Q51-E53 WeakPolarHBondContact CA-OE2 3.17Å; Q51-E53 WeakPolarHBondContact CB-OE1 3.33Å; Q51-E53 PolarHBondContact O-N 3.11Å; Q51-E53 VanDerWaalsContact O-N 3.09Å; E53-H55 PolarHBondContact O-CD2 3.21Å
54	K	87.2	Confident	93.6	Very high	105 Å²	105	48.3 Å²	48.3	46%	0.457	25%	0.25	S	S	.	.	G	3₁₀ helix	trans	-80.1	-17.5	179.7	-70.9	-172	172.8	174.2	0	113.7	Q51 P52 T56	Q51-K54 HydrophobicContact CB-CB 4.43Å; Q51-K54 HydrophobicContact CB-CD 3.97Å; Q51-K54 HydrophobicContact CB-CG 4.13Å; Q51-K54 VanDerWaalsContact CD-NZ 3.3Å; Q51-K54 HydrophobicContact CG-CD 4.47Å; Q51-K54 VanDerWaalsContact NE2-NZ 3.16Å; Q51-K54 PolarHBondContact O-N 3.3Å; P52-K54 VanDerWaalsContact C-N 3.28Å; P52-K54 PolarHBondContact O-N 2.86Å; K54-T56 HydrophobicContact CB-CG2 4.13Å; K54-T56 PolarHBondContact O-N 2.92Å; K54-T56 VanDerWaalsContact O-N 3.11Å
55	H	80.2	Confident	93.6	Very high	168 Å²	168	47 Å²	47	78%	0.778	25%	0.246	S	C	*	.			trans	50.9	33.4	176.8	-58.2	-63.8	0	0	0	115.1	P52 E53	P52-H55 PolarHBondContact O-CE1 3.25Å; P52-H55 PolarHBondContact O-ND1 2.81Å; E53-H55 PolarHBondContact O-CD2 3.21Å
56	T	79.4	Confident	93.7	Very high	66 Å²	66	47.2 Å²	47.2	41%	0.405	25%	0.247	S	C	.	.			trans	-78.2	-30.7	-173.3	37.5	0	0	0	0	114.8	D48 K54 N58	D48-T56 PolarHBondContact OD1-OG1 2.74Å; K54-T56 HydrophobicContact CB-CG2 4.13Å; K54-T56 PolarHBondContact O-N 2.92Å; K54-T56 VanDerWaalsContact O-N 3.11Å; T56-N58 VanDerWaalsContact C-N 3.25Å; T56-N58 PolarHBondContact O-N 2.83Å
57	N	87.3	Confident	93.7	Very high	110 Å²	110	52.3 Å²	52.3	59%	0.588	27%	0.27	S	S	*	.			trans	50.6	38.6	-177.7	-165.9	52.9	0	0	0	114.2	D48	D48-N57 PolarHBondContact OD1-N 3.17Å; D48-N57 WeakPolarHBondContact OD2-CA 3.46Å
58	N	94.2	Very high	93.8	Very high	28 Å²	28	55.1 Å²	55.1	15%	0.15	28%	0.283	C	S	.	.			trans	-82.2	-20.8	178.3	-72.1	-33.2	0	0	0	113.6	D48 T56 P60 L273 Q274	D48-N58 VanDerWaalsContact CG-N 3.33Å; D48-N58 PolarHBondContact OD1-N 2.68Å; D48-N58 VanDerWaalsContact OD1-N 3.07Å; D48-N58 PolarHBondContact OD2-N 2.98Å; T56-N58 VanDerWaalsContact C-N 3.25Å; T56-N58 PolarHBondContact O-N 2.83Å; N58-P60 VanDerWaalsContact C-CD 3.4Å; N58-L273 HydrophobicContact CB-CD2 3.97Å; N58-L273 HydrophobicContact CB-CG 4.49Å; N58-Q274 HydrophobicContact CB-CG 4.37Å; N58-Q274 VanDerWaalsContact O-CG 3.29Å; N58-Q274 WeakPolarHBondContact O-CG 3.27Å; N58-Q274 PolarHBondContact OD1-NE2 3.07Å
59	T	97.6	Very high	93.9	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.28	C	S	.	.			trans	-127.6	53.9	-173.8	64.4	0	0	0	0	113.3	D48 N61 L62 N63 L273 D277	D48-T59 PolarHBondContact N-OG1 3.39Å; D48-T59 PolarHBondContact OD2-N 2.93Å; D48-T59 PolarHBondContact OD2-OG1 3.27Å; T59-N61 VanDerWaalsContact C-N 3.32Å; T59-N61 PolarHBondContact O-N 3.2Å; T59-L62 HydrophobicContact CG2-CD1 4.21Å; T59-L62 PolarHBondContact O-N 2.87Å; T59-N63 WeakPolarHBondContact O-CB 3.23Å; T59-N63 PolarHBondContact O-N 2.78Å; T59-N63 PolarHBondContact O-ND2 2.78Å; T59-N63 VanDerWaalsContact O-ND2 3.12Å; T59-N63 PolarHBondContact O-OD1 2.05Å; T59-N63 PolarHBondContact OG1-OD1 2.59Å; T59-L273 HydrophobicContact CG2-CD1 3.87Å; T59-L273 HydrophobicContact CG2-CD2 3.85Å; T59-L273 HydrophobicContact CG2-CG 3.72Å; T59-D277 VanDerWaalsContact C-CG 3.5Å; T59-D277 VanDerWaalsContact CA-CG 3.43Å; T59-D277 VanDerWaalsContact CA-OD1 3.28Å; T59-D277 WeakPolarHBondContact CA-OD1 3.34Å; T59-D277 HydrophobicContact CG2-CB 4.49Å
60	P	97.9	Very high	94	Very high	56 Å²	56	53.2 Å²	53.2	36%	0.364	27%	0.272	S	S	.	.	H	α-helix	trans	-61.1	-34.3	-175.2	25.3	-35.5	0	0	0	114.1	N58 Q64 D277	N58-P60 VanDerWaalsContact C-CD 3.4Å; P60-Q64 WeakPolarHBondContact O-CB 3Å; P60-Q64 PolarHBondContact O-N 2.85Å; P60-D277 WeakPolarHBondContact CD-OD2 3.35Å; P60-D277 WeakPolarHBondContact CG-OD2 3.37Å
61	N	98.7	Very high	94.1	Very high	48 Å²	48	55.4 Å²	55.4	26%	0.257	28%	0.279	S	S	.	.	H	α-helix	trans	-72.9	-41.1	179.8	-64.7	-80.6	0	0	0	111.6	T59 Q64 M65 D277 G281	T59-N61 VanDerWaalsContact C-N 3.32Å; T59-N61 PolarHBondContact O-N 3.2Å; N61-Q64 PolarHBondContact O-N 2.99Å; N61-M65 WeakPolarHBondContact O-CB 3.4Å; N61-M65 PolarHBondContact O-N 3.17Å; N61-D277 WeakPolarHBondContact CB-O 3.47Å; N61-D277 VanDerWaalsContact CB-OD2 3.29Å; N61-D277 WeakPolarHBondContact CB-OD2 3.42Å; N61-D277 PolarHBondContact N-OD1 3Å; N61-D277 PolarHBondContact N-OD2 2.8Å; N61-D277 PolarHBondContact ND2-O 3.44Å; N61-D277 PolarHBondContact ND2-OD2 3.42Å; N61-G281 WeakPolarHBondContact OD1-CA 3.33Å
62	L	98.4	Very high	94.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-65.8	-38	172.8	-75	163.6	0	0	0	111.7	L47 T59 Q64 M65 A66 D277 V280 F299	L47-L62 HydrophobicContact CD1-CD1 4.02Å; L47-L62 HydrophobicContact CG-CB 4.47Å; L47-L62 HydrophobicContact CG-CD1 4.14Å; T59-L62 HydrophobicContact CG2-CD1 4.21Å; T59-L62 PolarHBondContact O-N 2.87Å; L62-Q64 VanDerWaalsContact C-N 3.33Å; L62-Q64 PolarHBondContact O-N 3.01Å; L62-M65 HydrophobicContact CD2-SD 4.47Å; L62-M65 PolarHBondContact O-N 3.4Å; L62-A66 WeakPolarHBondContact O-CB 3.35Å; L62-A66 PolarHBondContact O-N 2.99Å; L62-D277 WeakPolarHBondContact CB-OD1 3.39Å; L62-D277 WeakPolarHBondContact CG-OD1 3.24Å; L62-D277 PolarHBondContact N-OD1 2.89Å; L62-V280 HydrophobicContact CD2-CG1 3.87Å; L62-V280 HydrophobicContact CD2-CG2 4.38Å; L62-V280 HydrophobicContact CG-CG1 4.26Å; L62-F299 HydrophobicContact CD1-CE1 4.13Å; L62-F299 HydrophobicContact CD1-CE2 4.1Å; L62-F299 HydrophobicContact CD1-CZ 3.85Å; L62-F299 HydrophobicContact CD2-CB 4.03Å; L62-F299 HydrophobicContact CD2-CD1 3.68Å; L62-F299 HydrophobicContact CD2-CD2 3.72Å; L62-F299 HydrophobicContact CD2-CE1 4.05Å; L62-F299 HydrophobicContact CD2-CE2 4.07Å; L62-F299 HydrophobicContact CD2-CG 3.51Å; L62-F299 HydrophobicContact CD2-CZ 4.22Å
63	N	98.3	Very high	94.8	Very high	27 Å²	27	52.1 Å²	52.1	14%	0.144	26%	0.259	C	S	.	.	H	α-helix	trans	-59.5	-45.8	172.9	-65.2	-21.2	0	0	0	110.6	D48 V49 T59 A66 Q67	D48-N63 PolarHBondContact OD2-ND2 3.39Å; D48-N63 VanDerWaalsContact OD2-ND2 3.13Å; V49-N63 WeakPolarHBondContact CB-OD1 3.41Å; V49-N63 PolarHBondContact N-OD1 3.13Å; V49-N63 VanDerWaalsContact N-OD1 3.08Å; T59-N63 WeakPolarHBondContact O-CB 3.23Å; T59-N63 PolarHBondContact O-N 2.78Å; T59-N63 PolarHBondContact O-ND2 2.78Å; T59-N63 VanDerWaalsContact O-ND2 3.12Å; T59-N63 PolarHBondContact O-OD1 2.05Å; T59-N63 PolarHBondContact OG1-OD1 2.59Å; N63-A66 PolarHBondContact O-N 2.91Å; N63-Q67 WeakPolarHBondContact O-CG 3.41Å; N63-Q67 PolarHBondContact O-N 2.89Å
64	Q	98.3	Very high	95.3	Very high	88 Å²	88	47.4 Å²	47.4	41%	0.411	24%	0.238	S	C	.	.	H	α-helix	trans	-64.6	-41.7	175.7	-171	-176.5	31.6	0	0	111.9	P60 N61 L62 A66 Q67 Q68	P60-Q64 WeakPolarHBondContact O-CB 3Å; P60-Q64 PolarHBondContact O-N 2.85Å; N61-Q64 PolarHBondContact O-N 2.99Å; L62-Q64 VanDerWaalsContact C-N 3.33Å; L62-Q64 PolarHBondContact O-N 3.01Å; Q64-A66 VanDerWaalsContact C-N 3.31Å; Q64-A66 PolarHBondContact O-N 3.5Å; Q64-Q67 PolarHBondContact O-N 3.42Å; Q64-Q68 WeakPolarHBondContact O-CB 3.43Å; Q64-Q68 VanDerWaalsContact O-CG 3.27Å; Q64-Q68 WeakPolarHBondContact O-CG 3.24Å; Q64-Q68 PolarHBondContact O-N 3.01Å
65	M	98.6	Very high	95.8	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-61.1	-41.1	176.7	-173	-179.4	160.6	0	0	111.2	N61 L62 Q68 G69 V280 K284 I297 F299 V346 Y348	N61-M65 WeakPolarHBondContact O-CB 3.4Å; N61-M65 PolarHBondContact O-N 3.17Å; L62-M65 HydrophobicContact CD2-SD 4.47Å; L62-M65 PolarHBondContact O-N 3.4Å; M65-Q68 CarbonylContact O-C 3.46Å; M65-Q68 PolarHBondContact O-N 3.35Å; M65-G69 PolarHBondContact O-N 2.97Å; M65-V280 HydrophobicContact SD-CG1 4.08Å; M65-K284 HydrophobicContact CB-CD 4.32Å; M65-K284 HydrophobicContact CG-CD 4.39Å; M65-I297 HydrophobicContact CE-CB 3.85Å; M65-I297 HydrophobicContact CE-CG2 3.62Å; M65-I297 VanDerWaalsContact CE-O 3.3Å; M65-I297 WeakPolarHBondContact CE-O 3.29Å; M65-I297 HydrophobicContact SD-CG2 4.35Å; M65-F299 HydrophobicContact CE-CB 4.27Å; M65-V346 HydrophobicContact CB-CG1 4.21Å; M65-V346 HydrophobicContact CE-CG1 4.15Å; M65-V346 WeakPolarHBondContact CE-O 3.47Å; M65-V346 HydrophobicContact CG-CG1 3.82Å; M65-V346 HydrophobicContact SD-CG1 4.26Å; M65-Y348 HydrophobicContact CG-CD2 4.48Å; M65-Y348 HydrophobicContact CG-CG 4.13Å
66	A	98.2	Very high	96.7	Very high	6 Å²	6	34.5 Å²	34.5	5%	0.05	18%	0.179	C	C	.	.	H	α-helix	trans	-65.8	-44.4	175.9	0	0	0	0	0	112.1	V49 L62 N63 Q64 Q68 G69 V346	V49-A66 HydrophobicContact CG1-CB 4.35Å; V49-A66 HydrophobicContact CG2-CB 4.15Å; L62-A66 WeakPolarHBondContact O-CB 3.35Å; L62-A66 PolarHBondContact O-N 2.99Å; N63-A66 PolarHBondContact O-N 2.91Å; Q64-A66 VanDerWaalsContact C-N 3.31Å; Q64-A66 PolarHBondContact O-N 3.5Å; A66-Q68 PolarHBondContact O-N 3.3Å; A66-G69 CarbonylContact O-C 3.57Å; A66-G69 PolarHBondContact O-N 3.49Å; A66-G69 VanDerWaalsContact O-N 3.12Å; A66-V346 HydrophobicContact CB-CG1 3.92Å; A66-V346 HydrophobicContact CB-CG2 4.05Å
67	Q	98	Very high	97.6	Very high	121 Å²	121	31.4 Å²	31.4	57%	0.565	16%	0.16	S	C	*	.	H	α-helix	trans	-60.5	-29.1	174.3	-72.8	172.4	5.3	0	0	112.7	N63 Q64 N356	N63-Q67 WeakPolarHBondContact O-CG 3.41Å; N63-Q67 PolarHBondContact O-N 2.89Å; Q64-Q67 PolarHBondContact O-N 3.42Å; Q67-N356 WeakPolarHBondContact O-CA 3.3Å; Q67-N356 WeakPolarHBondContact O-CB 3.13Å; Q67-N356 PolarHBondContact O-N 2.77Å
68	Q	98.4	Very high	98	Very high	58 Å²	58	26.3 Å²	26.3	27%	0.271	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	2.1	179.9	-61.6	176.3	-1.8	0	0	113.4	Q64 M65 A66 Y348	Q64-Q68 WeakPolarHBondContact O-CB 3.43Å; Q64-Q68 VanDerWaalsContact O-CG 3.27Å; Q64-Q68 WeakPolarHBondContact O-CG 3.24Å; Q64-Q68 PolarHBondContact O-N 3.01Å; M65-Q68 CarbonylContact O-C 3.46Å; M65-Q68 PolarHBondContact O-N 3.35Å; A66-Q68 PolarHBondContact O-N 3.3Å; Q68-Y348 HydrophobicContact CB-CD2 3.99Å; Q68-Y348 HydrophobicContact CB-CE2 3.62Å
69	G	98.4	Very high	98.2	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-144.3	-146.5	-172.9	0	0	0	0	0	112.4	M65 A66 V347 A355 N356 T357	M65-G69 PolarHBondContact O-N 2.97Å; A66-G69 CarbonylContact O-C 3.57Å; A66-G69 PolarHBondContact O-N 3.49Å; A66-G69 VanDerWaalsContact O-N 3.12Å; G69-V347 WeakPolarHBondContact CA-O 3.32Å; G69-A355 CarbonylContact O-C 3.58Å; G69-N356 PolarHBondContact O-N 2.74Å; G69-T357 PolarHBondContact O-N 3.08Å; G69-T357 VanDerWaalsContact O-N 3.13Å
70	L	98.7	Very high	98.1	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.026	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	130.1	-178.3	171.5	62.6	0	0	0	109.6	L72 V346 V347 I353 T357 L395	L70-L72 HydrophobicContact CD1-CD2 4.32Å; L70-L72 HydrophobicContact CD2-CD2 3.77Å; L70-L72 HydrophobicContact CG-CD2 3.89Å; L70-L72 HydrophobicContact CG-CG 4.43Å; L70-V346 WeakPolarHBondContact O-CA 3.29Å; L70-V347 PolarHBondContact N-O 3Å; L70-V347 PolarHBondContact O-N 3.43Å; L70-I353 HydrophobicContact CB-CG2 3.64Å; L70-T357 WeakPolarHBondContact CD1-OG1 3.31Å; L70-L395 HydrophobicContact CD2-CD2 3.77Å
71	R	98.6	Very high	98.1	Very high	56 Å²	56	23 Å²	23	21%	0.211	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	133	167.7	-178.7	172.6	65.8	159.1	-8.1	110.8	V49 N50 T73 T357 T358 S359	V49-R71 PolarHBondContact O-NH1 3.22Å; N50-R71 WeakPolarHBondContact OD1-CD 3.39Å; N50-R71 PolarHBondContact OD1-NH1 2.97Å; R71-T73 HydrophobicContact CG-CG2 4.36Å; R71-T357 PolarHBondContact N-O 3.49Å; R71-T358 CarbonylContact O-C 3.49Å; R71-T358 VanDerWaalsContact O-CA 3.27Å; R71-T358 WeakPolarHBondContact O-CA 3.03Å; R71-S359 PolarHBondContact O-N 2.91Å
72	L	98.7	Very high	98	Very high	2 Å²	2	20.8 Å²	20.8	1%	0.01	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	115.8	175.5	-58.6	176.5	0	0	0	108.8	L70 Y75 W298 T345 V347 L363 V394	L70-L72 HydrophobicContact CD1-CD2 4.32Å; L70-L72 HydrophobicContact CD2-CD2 3.77Å; L70-L72 HydrophobicContact CG-CD2 3.89Å; L70-L72 HydrophobicContact CG-CG 4.43Å; L72-Y75 HydrophobicContact CB-CD2 4.44Å; L72-Y75 HydrophobicContact CD1-CD2 3.81Å; L72-Y75 HydrophobicContact CD1-CE2 4.23Å; L72-W298 HydrophobicContact CD1-CZ2 4.15Å; L72-T345 HydrophobicContact CB-CG2 4.1Å; L72-T345 HydrophobicContact CD1-CG2 3.78Å; L72-T345 HydrophobicContact CG-CG2 4.29Å; L72-T345 PolarHBondContact N-O 3.38Å; L72-V347 HydrophobicContact CD1-CG2 3.96Å; L72-L363 HydrophobicContact CD1-CD1 3.95Å; L72-L363 HydrophobicContact CD2-CD1 4.11Å; L72-V394 HydrophobicContact CD2-CG1 4.41Å
73	T	97.4	Very high	98	Very high	33 Å²	33	20.8 Å²	20.8	20%	0.202	10%	0.102	C	C	.	.	S	Bend	trans	-93.5	-24.4	-174.4	54.4	0	0	0	0	113.4	W44 R71 T358 S359	W44-T73 HydrophobicContact CZ2-CG2 4.45Å; W44-T73 PolarHBondContact NE1-O 3.42Å; W44-T73 VanDerWaalsContact NE1-O 3.16Å; R71-T73 HydrophobicContact CG-CG2 4.36Å; T73-T358 HydrophobicContact CG2-CG2 3.62Å; T73-S359 PolarHBondContact N-O 3.14Å; T73-S359 PolarHBondContact OG1-O 3.34Å
74	D	97.8	Very high	98	Very high	19 Å²	19	19.7 Å²	19.7	10%	0.102	10%	0.096	C	C	.	.	S	Bend	trans	-112.5	57.8	179.7	-163.1	-6.4	0	0	0	110.4	H76 R342 A361 L362 L363	D74-H76 IonicContact OD1-CD2 2.72Å; D74-H76 PolarHBondContact OD1-CD2 3.45Å; D74-H76 IonicContact OD1-CE1 3.81Å; D74-H76 IonicContact OD1-NE2 3.19Å; D74-H76 PolarHBondContact OD1-NE2 3.05Å; D74-R342 IonicContact OD1-CZ 3.12Å; D74-R342 IonicContact OD1-NE 3.56Å; D74-R342 IonicContact OD1-NH2 3.1Å; D74-R342 PolarHBondContact OD1-NH2 3.27Å; D74-R342 IonicContact OD2-NH2 3.71Å; D74-R342 PolarHBondContact OD2-NH2 3.11Å; D74-A361 VanDerWaalsContact O-O 3.07Å; D74-L362 WeakPolarHBondContact OD1-CD1 3.45Å; D74-L363 PolarHBondContact O-N 2.85Å
75	Y	98.6	Very high	98	Very high	1 Å²	1	15.5 Å²	15.5	0%	0.004	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.9	-176.4	-167.5	-87.3	0	0	0	111.6	L72 W298 T300 R342 V343 T345 L363 S364 G365 I368	L72-Y75 HydrophobicContact CB-CD2 4.44Å; L72-Y75 HydrophobicContact CD1-CD2 3.81Å; L72-Y75 HydrophobicContact CD1-CE2 4.23Å; Y75-W298 AromaticContact CE2-CZ2 3.64Å; Y75-W298 HydrophobicContact CE2-CZ2 3.64Å; Y75-W298 AromaticContact CZ-CZ2 3.95Å; Y75-W298 AromaticContact CZ-NE1 3.91Å; Y75-T300 HydrophobicContact CE1-CG2 4.32Å; Y75-T300 VanDerWaalsContact CE1-OG1 3.23Å; Y75-T300 WeakPolarHBondContact CE1-OG1 3.19Å; Y75-R342 WeakPolarHBondContact O-CA 3.09Å; Y75-V343 HydrophobicContact CD1-CG2 3.86Å; Y75-V343 HydrophobicContact CE1-CG2 4.36Å; Y75-V343 PolarHBondContact O-N 2.74Å; Y75-T345 HydrophobicContact CD1-CG2 4.08Å; Y75-T345 WeakPolarHBondContact CD1-OG1 3.36Å; Y75-T345 HydrophobicContact CD2-CG2 4.12Å; Y75-T345 HydrophobicContact CE1-CG2 4.27Å; Y75-T345 HydrophobicContact CE2-CG2 4.36Å; Y75-T345 HydrophobicContact CG-CG2 3.95Å; Y75-L363 HydrophobicContact CD2-CB 3.59Å; Y75-L363 HydrophobicContact CE2-CB 4.05Å; Y75-S364 PolarHBondContact OH-O 2.9Å; Y75-G365 VanDerWaalsContact OH-CA 3.29Å; Y75-G365 WeakPolarHBondContact OH-CA 3.45Å; Y75-I368 WeakPolarHBondContact OH-CD1 3.36Å; Y75-I368 WeakPolarHBondContact OH-CG1 3.48Å
76	H	98.7	Very high	98	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	126.6	-168.5	-67.8	-91	0	0	0	112.5	D74 E338 H341 R342 L363 S364 G365 L406	D74-H76 IonicContact OD1-CD2 2.72Å; D74-H76 PolarHBondContact OD1-CD2 3.45Å; D74-H76 IonicContact OD1-CE1 3.81Å; D74-H76 IonicContact OD1-NE2 3.19Å; D74-H76 PolarHBondContact OD1-NE2 3.05Å; H76-E338 IonicContact CE1-OE1 3.44Å; H76-E338 PolarHBondContact CE1-OE1 2.9Å; H76-E338 IonicContact CE1-OE2 3.56Å; H76-E338 PolarHBondContact CE1-OE2 3.49Å; H76-E338 VanDerWaalsContact CE1-OE2 3.31Å; H76-E338 IonicContact NE2-OE2 2.82Å; H76-H341 CarbonylContact C-O 3.46Å; H76-H341 WeakPolarHBondContact CA-O 3.45Å; H76-H341 AromaticContact CE1-CE1 3.67Å; H76-H341 AromaticContact CE1-ND1 3.75Å; H76-H341 AromaticContact CG-ND1 3.72Å; H76-H341 AromaticContact ND1-CE1 3.14Å; H76-H341 PolarHBondContact ND1-CE1 3.39Å; H76-H341 AromaticContact ND1-ND1 2.81Å; H76-H341 PolarHBondContact ND1-ND1 3.04Å; H76-R342 PolarHBondContact CE1-NE 3.47Å; H76-R342 PolarHBondContact NE2-NE 3.46Å; H76-L363 PolarHBondContact N-O 3.04Å; H76-S364 CarbonylContact O-C 3.55Å; H76-S364 WeakPolarHBondContact O-CA 3.36Å; H76-S364 PolarHBondContact O-OG 2.85Å; H76-G365 PolarHBondContact O-N 3.46Å; H76-L406 HydrophobicContact CB-CD2 3.51Å
77	S	98.4	Very high	98	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.007	8%	0.076	C	C	.	.			trans	-58.8	142.5	163.8	-170.1	0	0	0	0	110.3	A79 S85 D302 H341	S77-A79 WeakPolarHBondContact CB-O 3.4Å; S77-A79 PolarHBondContact O-N 3.37Å; S77-A79 VanDerWaalsContact O-N 3.16Å; S77-A79 PolarHBondContact OG-O 3.25Å; S77-S85 WeakPolarHBondContact OG-CB 3.33Å; S77-S85 PolarHBondContact OG-OG 2.81Å; S77-D302 WeakPolarHBondContact CB-O 3.38Å; S77-D302 VanDerWaalsContact OG-C 3.26Å; S77-D302 PolarHBondContact OG-O 3.34Å; S77-H341 PolarHBondContact N-O 3.07Å
78	P	96.5	Very high	98.1	Very high	3 Å²	3	9.9 Å²	9.9	2%	0.019	5%	0.049	C	C	.	.	S	Bend	trans	-67.3	-17.8	-175.1	-20	35.4	0	0	0	113.6	A88 I89 M366	P78-A88 HydrophobicContact CB-CB 3.42Å; P78-A88 VanDerWaalsContact CB-CB 3.42Å; P78-A88 HydrophobicContact CG-CB 3.7Å; P78-I89 HydrophobicContact CG-CG1 4.23Å; P78-M366 HydrophobicContact CB-CG 3.62Å; P78-M366 HydrophobicContact CB-SD 4.13Å; P78-M366 HydrophobicContact CG-CG 3.5Å; P78-M366 VanDerWaalsContact CG-CG 3.5Å
79	A	97.3	Very high	98.1	Very high	7 Å²	7	7.3 Å²	7.3	6%	0.058	4%	0.037	C	C	.	.	S	Bend	trans	-147.5	176.9	175.2	0	0	0	0	0	109.3	S77 P84 S85	S77-A79 WeakPolarHBondContact CB-O 3.4Å; S77-A79 PolarHBondContact O-N 3.37Å; S77-A79 VanDerWaalsContact O-N 3.16Å; S77-A79 PolarHBondContact OG-O 3.25Å; A79-P84 HydrophobicContact CB-CB 3.64Å; A79-S85 VanDerWaalsContact C-OG 3.28Å; A79-S85 WeakPolarHBondContact CB-OG 3.47Å; A79-S85 PolarHBondContact N-OG 3.31Å; A79-S85 PolarHBondContact O-OG 3.01Å
80	S	96.6	Very high	98.1	Very high	2 Å²	2	7.6 Å²	7.6	1%	0.014	4%	0.039	C	C	.	.	S	Bend	trans	-110.2	19.7	-179.4	54.9	0	0	0	0	113.2	N303 K333 Q334 T335 G340 S411	S80-N303 VanDerWaalsContact C-CB 3.43Å; S80-K333 WeakPolarHBondContact O-CG 3.32Å; S80-Q334 PolarHBondContact O-N 3.03Å; S80-Q334 VanDerWaalsContact OG-C 3.25Å; S80-T335 WeakPolarHBondContact CB-O 3.34Å; S80-T335 PolarHBondContact OG-N 3.25Å; S80-T335 PolarHBondContact OG-O 3.46Å; S80-G340 WeakPolarHBondContact CA-O 3.44Å; S80-G340 WeakPolarHBondContact CB-O 3.48Å; S80-S411 PolarHBondContact N-OG 3.44Å; S80-S411 PolarHBondContact OG-OG 2.97Å
81	T	96.8	Very high	98.1	Very high	7 Å²	7	7.3 Å²	7.3	4%	0.043	4%	0.037	C	C	.	.	S	Bend	trans	-142.7	157.8	172	55.8	0	0	0	0	112.1	P84 S85 N303 Q334 S411	T81-P84 WeakPolarHBondContact O-CD 3.15Å; T81-P84 WeakPolarHBondContact OG1-CD 3.44Å; T81-P84 WeakPolarHBondContact OG1-CG 3.4Å; T81-S85 WeakPolarHBondContact O-CB 3.43Å; T81-S85 PolarHBondContact O-N 3.15Å; T81-S85 PolarHBondContact O-OG 3.02Å; T81-N303 WeakPolarHBondContact CA-OD1 3.37Å; T81-Q334 HydrophobicContact CG2-CB 4.39Å; T81-Q334 HydrophobicContact CG2-CG 3.93Å; T81-S411 WeakPolarHBondContact CG2-O 3.14Å; T81-S411 PolarHBondContact N-OG 3.41Å; T81-S411 WeakPolarHBondContact OG1-CB 3.4Å; T81-S411 PolarHBondContact OG1-O 3.07Å; T81-S411 VanDerWaalsContact OG1-O 3.06Å; T81-S411 PolarHBondContact OG1-OG 3Å
82	C	97.2	Very high	98.1	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-57.3	-60.5	-166.5	-47.5	0	0	0	0	114.9	D40 S85 R86 N103 K135 H137 N303	D40-C82 PolarHBondContact OD1-SG 3.28Å; C82-S85 PolarHBondContact O-N 3.47Å; C82-R86 WeakPolarHBondContact O-CB 3.44Å; C82-R86 VanDerWaalsContact O-CD 3.31Å; C82-R86 WeakPolarHBondContact O-CD 3.47Å; C82-R86 WeakPolarHBondContact O-CG 3.49Å; C82-R86 PolarHBondContact O-N 3.1Å; C82-N103 PolarHBondContact N-OD1 3.27Å; C82-K135 PolarHBondContact SG-NZ 3.37Å; C82-H137 WeakPolarHBondContact CB-ND1 3.12Å; C82-N303 PolarHBondContact N-OD1 3.03Å; C82-N303 VanDerWaalsContact N-OD1 3.16Å
83	S	98.3	Very high	98.1	Very high	0 Å²	0	4.6 Å²	4.6	0%	0	3%	0.027	C	C	.	.	H	α-helix	trans	-64	-47.7	-173.9	-54.8	0	0	0	0	112.6	S85 R86 A87 N103 F104 H137 L138	S83-S85 VanDerWaalsContact C-N 3.34Å; S83-S85 PolarHBondContact O-N 2.83Å; S83-R86 PolarHBondContact O-N 3.35Å; S83-A87 VanDerWaalsContact O-CB 3.31Å; S83-A87 WeakPolarHBondContact O-CB 3.22Å; S83-A87 PolarHBondContact O-N 2.74Å; S83-N103 PolarHBondContact N-OD1 3.14Å; S83-N103 WeakPolarHBondContact OG-CA 3.46Å; S83-N103 PolarHBondContact OG-OD1 2.83Å; S83-F104 PolarHBondContact OG-N 3.22Å; S83-H137 VanDerWaalsContact CB-O 3.22Å; S83-H137 WeakPolarHBondContact CB-O 3.44Å; S83-H137 PolarHBondContact OG-CD2 2.73Å; S83-H137 PolarHBondContact OG-O 2.87Å; S83-L138 VanDerWaalsContact O-CD2 3.28Å; S83-L138 WeakPolarHBondContact O-CD2 3.39Å
84	P	98.4	Very high	98.1	Very high	4 Å²	4	3.2 Å²	3.2	3%	0.026	2%	0.018	C	C	.	.	H	α-helix	trans	-59.9	-42.2	178	-27.8	40.1	0	0	0	112.9	A79 T81 A87 A88 V100 T101 N103	A79-P84 HydrophobicContact CB-CB 3.64Å; T81-P84 WeakPolarHBondContact O-CD 3.15Å; T81-P84 WeakPolarHBondContact OG1-CD 3.44Å; T81-P84 WeakPolarHBondContact OG1-CG 3.4Å; P84-A87 PolarHBondContact O-N 3.09Å; P84-A88 WeakPolarHBondContact O-CB 3.31Å; P84-A88 PolarHBondContact O-N 3.11Å; P84-V100 WeakPolarHBondContact CB-O 3.35Å; P84-V100 HydrophobicContact CG-CG1 4.42Å; P84-T101 VanDerWaalsContact CG-C 3.47Å; P84-N103 WeakPolarHBondContact CD-OD1 3.47Å
85	S	98.4	Very high	98.1	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-64.3	-47.4	177.4	-63.3	0	0	0	0	112.2	S77 A79 T81 C82 S83 A87 A88 I89 D302	S77-S85 WeakPolarHBondContact OG-CB 3.33Å; S77-S85 PolarHBondContact OG-OG 2.81Å; A79-S85 VanDerWaalsContact C-OG 3.28Å; A79-S85 WeakPolarHBondContact CB-OG 3.47Å; A79-S85 PolarHBondContact N-OG 3.31Å; A79-S85 PolarHBondContact O-OG 3.01Å; T81-S85 WeakPolarHBondContact O-CB 3.43Å; T81-S85 PolarHBondContact O-N 3.15Å; T81-S85 PolarHBondContact O-OG 3.02Å; C82-S85 PolarHBondContact O-N 3.47Å; S83-S85 VanDerWaalsContact C-N 3.34Å; S83-S85 PolarHBondContact O-N 2.83Å; S85-A87 VanDerWaalsContact C-N 3.34Å; S85-A87 PolarHBondContact O-N 2.83Å; S85-A88 PolarHBondContact O-N 2.87Å; S85-I89 VanDerWaalsContact O-CG1 3.28Å; S85-I89 WeakPolarHBondContact O-CG1 3.32Å; S85-I89 PolarHBondContact O-N 2.87Å; S85-D302 WeakPolarHBondContact CB-O 3.37Å; S85-D302 PolarHBondContact OG-O 3.23Å
86	R	98.8	Very high	97.9	Very high	8 Å²	8	4.3 Å²	4.3	3%	0.03	3%	0.025	C	C	.	.	H	α-helix	trans	-62.9	-40.4	178.9	-70.7	163.7	-173.4	-94.3	-10.1	111.9	L38 D40 C82 S83 L90 K135 L138 D302	L38-R86 HydrophobicContact CD2-CG 3.9Å; D40-R86 IonicContact OD1-NH2 3.97Å; C82-R86 WeakPolarHBondContact O-CB 3.44Å; C82-R86 VanDerWaalsContact O-CD 3.31Å; C82-R86 WeakPolarHBondContact O-CD 3.47Å; C82-R86 WeakPolarHBondContact O-CG 3.49Å; C82-R86 PolarHBondContact O-N 3.1Å; S83-R86 PolarHBondContact O-N 3.35Å; R86-L90 WeakPolarHBondContact O-CB 3.41Å; R86-L90 WeakPolarHBondContact O-CG 3.45Å; R86-L90 PolarHBondContact O-N 3.07Å; R86-L90 VanDerWaalsContact O-N 3.09Å; R86-K135 PolarHBondContact NH1-O 3.11Å; R86-L138 HydrophobicContact CB-CD1 4.19Å; R86-L138 HydrophobicContact CB-CD2 4.22Å; R86-L138 HydrophobicContact CB-CG 4.25Å; R86-D302 IonicContact CZ-OD2 3.97Å; R86-D302 VanDerWaalsContact CZ-OD2 3.23Å; R86-D302 IonicContact NE-OD2 2.76Å; R86-D302 PolarHBondContact NE-OD2 3.33Å; R86-D302 IonicContact NH2-OD2 2.72Å; R86-D302 PolarHBondContact NH2-OD2 3.37Å
87	A	98.8	Very high	97.9	Very high	0 Å²	0	4.5 Å²	4.5	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-61.3	-47.1	174.9	0	0	0	0	0	110.8	S83 P84 S85 L90 T91 V100 L112 L138	S83-A87 VanDerWaalsContact O-CB 3.31Å; S83-A87 WeakPolarHBondContact O-CB 3.22Å; S83-A87 PolarHBondContact O-N 2.74Å; P84-A87 PolarHBondContact O-N 3.09Å; S85-A87 VanDerWaalsContact C-N 3.34Å; S85-A87 PolarHBondContact O-N 2.83Å; A87-L90 PolarHBondContact O-N 3.01Å; A87-T91 WeakPolarHBondContact O-CB 3.36Å; A87-T91 WeakPolarHBondContact O-CG2 3.4Å; A87-T91 PolarHBondContact O-N 2.86Å; A87-T91 PolarHBondContact O-OG1 2.87Å; A87-V100 HydrophobicContact CB-CB 3.72Å; A87-V100 HydrophobicContact CB-CG1 4.04Å; A87-V100 HydrophobicContact CB-CG2 3.83Å; A87-L112 HydrophobicContact CB-CD1 3.93Å; A87-L138 HydrophobicContact CB-CD2 3.73Å
88	A	98.8	Very high	97.9	Very high	1 Å²	1	4.5 Å²	4.5	1%	0.008	3%	0.026	C	C	.	.	H	α-helix	trans	-67.7	-39.6	-178.5	0	0	0	0	0	113	P78 P84 S85 L90 T91 G92 R93 M366	P78-A88 HydrophobicContact CB-CB 3.42Å; P78-A88 VanDerWaalsContact CB-CB 3.42Å; P78-A88 HydrophobicContact CG-CB 3.7Å; P84-A88 WeakPolarHBondContact O-CB 3.31Å; P84-A88 PolarHBondContact O-N 3.11Å; S85-A88 PolarHBondContact O-N 2.87Å; A88-L90 VanDerWaalsContact C-N 3.33Å; A88-L90 PolarHBondContact O-N 3.08Å; A88-T91 PolarHBondContact O-N 3.32Å; A88-G92 WeakPolarHBondContact O-CA 3.42Å; A88-G92 PolarHBondContact O-N 2.83Å; A88-R93 VanDerWaalsContact CA-O 3.23Å; A88-R93 WeakPolarHBondContact CA-O 3.37Å; A88-R93 VanDerWaalsContact CB-O 3.28Å; A88-R93 WeakPolarHBondContact CB-O 3.33Å; A88-M366 HydrophobicContact CB-CG 4.09Å
89	I	98.8	Very high	97.9	Very high	5 Å²	5	4.8 Å²	4.8	3%	0.026	3%	0.03	C	C	.	.	H	α-helix	trans	-60.8	-43	173.5	-70.1	163	0	0	0	110.9	L38 P78 S85 T91 I368	L38-I89 HydrophobicContact CD1-CD1 3.72Å; L38-I89 HydrophobicContact CD2-CD1 4.02Å; P78-I89 HydrophobicContact CG-CG1 4.23Å; S85-I89 VanDerWaalsContact O-CG1 3.28Å; S85-I89 WeakPolarHBondContact O-CG1 3.32Å; S85-I89 PolarHBondContact O-N 2.87Å; I89-T91 VanDerWaalsContact C-N 3.34Å; I89-T91 PolarHBondContact O-N 2.92Å; I89-I368 HydrophobicContact CG2-CB 4.48Å; I89-I368 HydrophobicContact CG2-CD1 4.1Å; I89-I368 HydrophobicContact CG2-CG2 4.49Å
90	L	98.9	Very high	98	Very high	5 Å²	5	4.5 Å²	4.5	3%	0.026	3%	0.027	C	C	.	.	H	α-helix	trans	-79.3	-12.5	-177.4	-72.7	176.3	0	0	0	114.5	R86 A87 A88 T118 L119 W136 L138 F151 L246 F369	R86-L90 WeakPolarHBondContact O-CB 3.41Å; R86-L90 WeakPolarHBondContact O-CG 3.45Å; R86-L90 PolarHBondContact O-N 3.07Å; R86-L90 VanDerWaalsContact O-N 3.09Å; A87-L90 PolarHBondContact O-N 3.01Å; A88-L90 VanDerWaalsContact C-N 3.33Å; A88-L90 PolarHBondContact O-N 3.08Å; L90-T118 CarbonylContact O-C 3.45Å; L90-T118 VanDerWaalsContact O-CA 3.27Å; L90-T118 WeakPolarHBondContact O-CA 3.18Å; L90-L119 PolarHBondContact O-N 3.15Å; L90-W136 HydrophobicContact CD1-CH2 3.77Å; L90-W136 HydrophobicContact CD1-CZ3 3.53Å; L90-L138 HydrophobicContact CD1-CD1 3.7Å; L90-F151 HydrophobicContact CD2-CZ 4.39Å; L90-L246 HydrophobicContact CD2-CD2 4.17Å; L90-F369 VanDerWaalsContact O-CD2 3.26Å; L90-F369 WeakPolarHBondContact O-CD2 3.1Å; L90-F369 WeakPolarHBondContact O-CE2 3.07Å
91	T	98.8	Very high	98	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-120.9	-14.2	-176.5	58.3	0	0	0	0	114	A87 A88 I89 R93 L112 E116 F369 Y386	A87-T91 WeakPolarHBondContact O-CB 3.36Å; A87-T91 WeakPolarHBondContact O-CG2 3.4Å; A87-T91 PolarHBondContact O-N 2.86Å; A87-T91 PolarHBondContact O-OG1 2.87Å; A88-T91 PolarHBondContact O-N 3.32Å; I89-T91 VanDerWaalsContact C-N 3.34Å; I89-T91 PolarHBondContact O-N 2.92Å; T91-R93 PolarHBondContact O-N 3.35Å; T91-R93 PolarHBondContact OG1-N 3.01Å; T91-L112 HydrophobicContact CG2-CD1 4.28Å; T91-L112 HydrophobicContact CG2-CD2 4.26Å; T91-E116 HydrophobicContact CG2-CB 4.02Å; T91-E116 HydrophobicContact CG2-CG 4.42Å; T91-F369 VanDerWaalsContact C-CD2 3.43Å; T91-Y386 WeakPolarHBondContact O-CE1 3.35Å
92	G	98.6	Very high	97.9	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	4%	0.044	C	C	.	.	S	Bend	trans	65.4	18.6	-172.7	0	0	0	0	0	113.7	A88 D387 G388	A88-G92 WeakPolarHBondContact O-CA 3.42Å; A88-G92 PolarHBondContact O-N 2.83Å; G92-D387 PolarHBondContact O-N 3.05Å; G92-G388 PolarHBondContact O-N 3.04Å; G92-G388 VanDerWaalsContact O-N 3.1Å
93	R	98.4	Very high	97.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.058	C	C	.	.	S	Bend	trans	-129.5	137.6	-171.9	-75.7	167.2	64.4	85.3	-3.7	110.1	A88 T91 R97 N98 E116 R385 Y386 D387 D496 S498	A88-R93 VanDerWaalsContact CA-O 3.23Å; A88-R93 WeakPolarHBondContact CA-O 3.37Å; A88-R93 VanDerWaalsContact CB-O 3.28Å; A88-R93 WeakPolarHBondContact CB-O 3.33Å; T91-R93 PolarHBondContact O-N 3.35Å; T91-R93 PolarHBondContact OG1-N 3.01Å; R93-R97 HydrophobicContact CB-CB 4.09Å; R93-R97 PolarHBondContact NH2-O 2.95Å; R93-N98 HydrophobicContact CB-CB 4.33Å; R93-N98 PolarHBondContact O-ND2 2.85Å; R93-E116 IonicContact NE-OE1 3.45Å; R93-E116 IonicContact NE-OE2 2.97Å; R93-E116 PolarHBondContact NE-OE2 2.97Å; R93-E116 IonicContact NH2-OE1 2.59Å; R93-R385 WeakPolarHBondContact CD-O 3.2Å; R93-R385 WeakPolarHBondContact CG-O 3.09Å; R93-R385 PolarHBondContact NH1-O 3.06Å; R93-Y386 HydrophobicContact CG-CD1 4.09Å; R93-D387 WeakPolarHBondContact CA-OD2 3.17Å; R93-D496 IonicContact CZ-OD2 3.57Å; R93-D496 IonicContact NH1-OD2 2.68Å; R93-D496 PolarHBondContact NH1-OD2 3.01Å; R93-D496 IonicContact NH2-OD2 3.97Å; R93-D496 PolarHBondContact NH2-OD2 3.09Å; R93-S498 PolarHBondContact NH1-OG 3.04Å; R93-S498 PolarHBondContact NH2-O 3.13Å; R93-S498 PolarHBondContact NH2-OG 3.36Å
94	Y	97.6	Very high	97.8	Very high	5 Å²	5	10.7 Å²	10.7	2%	0.02	6%	0.059	C	C	.	.			trans	-57.6	157.9	174.5	-78.4	-60.4	0	0	0	112.4	L96 R97 N98 M366 D387 L406 F407 P409	Y94-L96 PolarHBondContact O-N 3.5Å; Y94-L96 VanDerWaalsContact O-N 3.16Å; Y94-R97 WeakPolarHBondContact O-CA 3.39Å; Y94-R97 WeakPolarHBondContact O-CB 3.47Å; Y94-R97 PolarHBondContact O-N 2.9Å; Y94-N98 PolarHBondContact O-N 3.49Å; Y94-N98 PolarHBondContact O-ND2 2.89Å; Y94-M366 HydrophobicContact CD1-CE 3.93Å; Y94-M366 HydrophobicContact CD1-SD 3.58Å; Y94-M366 VanDerWaalsContact CD1-SD 3.58Å; Y94-M366 HydrophobicContact CD2-CE 4.42Å; Y94-M366 HydrophobicContact CD2-SD 4.27Å; Y94-M366 HydrophobicContact CE1-CE 3.31Å; Y94-M366 HydrophobicContact CE1-SD 3.64Å; Y94-M366 HydrophobicContact CE2-CE 3.86Å; Y94-M366 HydrophobicContact CE2-SD 4.31Å; Y94-M366 HydrophobicContact CG-CE 4.43Å; Y94-M366 HydrophobicContact CG-SD 3.9Å; Y94-M366 WeakPolarHBondContact OH-CE 3.26Å; Y94-D387 HydrophobicContact CD2-CB 3.57Å; Y94-D387 WeakPolarHBondContact CD2-OD1 3.45Å; Y94-D387 WeakPolarHBondContact CD2-OD2 3.39Å; Y94-D387 HydrophobicContact CE2-CB 3.66Å; Y94-D387 HydrophobicContact CG-CB 4.31Å; Y94-D387 PolarHBondContact N-OD2 3.01Å; Y94-L406 WeakPolarHBondContact OH-CD1 3.32Å; Y94-F407 WeakPolarHBondContact CE1-O 3.48Å; Y94-F407 HydrophobicContact CE2-CB 4.14Å; Y94-F407 HydrophobicContact CE2-CD2 4.3Å; Y94-F407 PolarHBondContact OH-N 3.07Å; Y94-F407 PolarHBondContact OH-O 3.45Å; Y94-F407 VanDerWaalsContact OH-O 3.12Å; Y94-P409 HydrophobicContact CD1-CG 4.25Å
95	G	96.9	Very high	97.5	Very high	6 Å²	6	11.1 Å²	11.1	6%	0.062	6%	0.063	C	C	.	.	H	α-helix	trans	-54.1	-31.8	172.2	0	0	0	0	0	113.9	R97 N98 G99 V100	G95-R97 PolarHBondContact O-N 3.48Å; G95-N98 WeakPolarHBondContact CA-OD1 3.46Å; G95-G99 CarbonylContact O-C 3.59Å; G95-G99 WeakPolarHBondContact O-CA 3.17Å; G95-G99 PolarHBondContact O-N 3.43Å; G95-V100 WeakPolarHBondContact CA-O 3.29Å; G95-V100 PolarHBondContact O-N 3.29Å
96	L	95.8	Very high	97.2	Very high	37 Å²	37	11.1 Å²	11.1	19%	0.194	6%	0.063	C	C	.	.	H	α-helix	trans	-62.6	-26.9	173.3	-71.2	111.3	0	0	0	113.6	Y94 P409 G418 I493	Y94-L96 PolarHBondContact O-N 3.5Å; Y94-L96 VanDerWaalsContact O-N 3.16Å; L96-P409 HydrophobicContact CD1-CB 3.55Å; L96-P409 HydrophobicContact CD1-CG 4.03Å; L96-G418 WeakPolarHBondContact CD1-O 3.29Å; L96-G418 WeakPolarHBondContact CD2-O 3.44Å; L96-G418 WeakPolarHBondContact CG-O 3.29Å; L96-I493 HydrophobicContact CB-CD1 3.87Å; L96-I493 HydrophobicContact CB-CG2 4.27Å; L96-I493 HydrophobicContact CD1-CD1 4.29Å; L96-I493 HydrophobicContact CD2-CD1 4.07Å; L96-I493 HydrophobicContact CG-CD1 4.32Å
97	R	97.7	Very high	96.9	Very high	4 Å²	4	11.4 Å²	11.4	2%	0.015	7%	0.065	C	C	.	.	H	α-helix	trans	-98.6	-44.3	-178.2	-68.9	-167	-158.9	-88.2	-1.2	112.6	R93 Y94 G95 D387 D492 I493 D496 V499 S500	R93-R97 HydrophobicContact CB-CB 4.09Å; R93-R97 PolarHBondContact NH2-O 2.95Å; Y94-R97 WeakPolarHBondContact O-CA 3.39Å; Y94-R97 WeakPolarHBondContact O-CB 3.47Å; Y94-R97 PolarHBondContact O-N 2.9Å; G95-R97 PolarHBondContact O-N 3.48Å; R97-D387 WeakPolarHBondContact CD-OD2 3.48Å; R97-D387 IonicContact CZ-OD1 2.8Å; R97-D387 VanDerWaalsContact CZ-OD1 3.28Å; R97-D387 IonicContact NE-OD1 3.59Å; R97-D387 PolarHBondContact NE-OD1 3.27Å; R97-D387 IonicContact NE-OD2 2.9Å; R97-D387 PolarHBondContact NE-OD2 3.45Å; R97-D387 IonicContact NH2-OD1 3.91Å; R97-D387 PolarHBondContact NH2-OD1 2.94Å; R97-D492 IonicContact CZ-OD2 3.93Å; R97-D492 IonicContact NH1-OD2 3.31Å; R97-D492 PolarHBondContact NH1-OD2 3.1Å; R97-D492 IonicContact NH2-OD2 4Å; R97-D492 PolarHBondContact NH2-OD2 3.46Å; R97-I493 HydrophobicContact CG-CG1 4.05Å; R97-I493 VanDerWaalsContact CZ-CG1 3.48Å; R97-D496 IonicContact NH1-OD2 3.92Å; R97-D496 PolarHBondContact NH1-OD2 3.44Å; R97-V499 WeakPolarHBondContact O-CA 3.43Å; R97-S500 PolarHBondContact O-N 3.42Å
98	N	98.2	Very high	96.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-80.8	-9	-179.1	72.9	38	0	0	0	112.5	R93 Y94 G95 V100 P113 E116 S500	R93-N98 HydrophobicContact CB-CB 4.33Å; R93-N98 PolarHBondContact O-ND2 2.85Å; Y94-N98 PolarHBondContact O-N 3.49Å; Y94-N98 PolarHBondContact O-ND2 2.89Å; G95-N98 WeakPolarHBondContact CA-OD1 3.46Å; N98-V100 VanDerWaalsContact C-N 3.33Å; N98-V100 PolarHBondContact O-N 3.38Å; N98-V100 WeakPolarHBondContact OD1-CB 3.34Å; N98-V100 PolarHBondContact OD1-N 2.85Å; N98-P113 VanDerWaalsContact O-CD 3.3Å; N98-P113 WeakPolarHBondContact O-CD 3.14Å; N98-P113 VanDerWaalsContact O-CG 3.32Å; N98-P113 WeakPolarHBondContact O-CG 3.26Å; N98-E116 WeakPolarHBondContact CA-OE1 3.3Å; N98-E116 HydrophobicContact CB-CG 4.03Å; N98-S500 WeakPolarHBondContact O-CB 3.33Å
99	G	97.8	Very high	96.5	Very high	10 Å²	10	14 Å²	14	10%	0.103	8%	0.08	C	C	.	.	S	Bend	trans	86.1	-7.2	175.5	0	0	0	0	0	115	G95 T101 S500 A502	G95-G99 CarbonylContact O-C 3.59Å; G95-G99 WeakPolarHBondContact O-CA 3.17Å; G95-G99 PolarHBondContact O-N 3.43Å; G99-T101 PolarHBondContact O-N 3.23Å; G99-S500 WeakPolarHBondContact CA-O 3.37Å; G99-S500 PolarHBondContact N-O 2.82Å; G99-A502 WeakPolarHBondContact O-CB 3.44Å; G99-A502 PolarHBondContact O-N 3.1Å
100	V	98.4	Very high	96.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	8%	0.08	C	C	.	.			trans	-93.4	99	-178.9	-173.5	0	0	0	0	109.7	P84 A87 G95 N98 F104 L112 A502 Y504	P84-V100 WeakPolarHBondContact CB-O 3.35Å; P84-V100 HydrophobicContact CG-CG1 4.42Å; A87-V100 HydrophobicContact CB-CB 3.72Å; A87-V100 HydrophobicContact CB-CG1 4.04Å; A87-V100 HydrophobicContact CB-CG2 3.83Å; G95-V100 WeakPolarHBondContact CA-O 3.29Å; G95-V100 PolarHBondContact O-N 3.29Å; N98-V100 VanDerWaalsContact C-N 3.33Å; N98-V100 PolarHBondContact O-N 3.38Å; N98-V100 WeakPolarHBondContact OD1-CB 3.34Å; N98-V100 PolarHBondContact OD1-N 2.85Å; V100-F104 HydrophobicContact CG1-CE2 3.72Å; V100-F104 HydrophobicContact CG1-CZ 4.24Å; V100-F104 HydrophobicContact CG2-CE2 4.04Å; V100-F104 HydrophobicContact CG2-CZ 4.1Å; V100-L112 HydrophobicContact CG2-CD1 3.79Å; V100-A502 HydrophobicContact CG2-CB 4.32Å; V100-Y504 WeakPolarHBondContact CA-OH 3.24Å
101	T	96.6	Very high	96.4	Very high	29 Å²	29	13.6 Å²	13.6	18%	0.178	8%	0.079	C	C	.	.			trans	-107.7	-13.8	-175.5	59	0	0	0	0	114.1	P84 G99 Y504	P84-T101 VanDerWaalsContact CG-C 3.47Å; G99-T101 PolarHBondContact O-N 3.23Å; T101-Y504 PolarHBondContact N-OH 2.9Å
102	H	94.9	Very high	96.4	Very high	51 Å²	51	13.7 Å²	13.7	24%	0.236	8%	0.079	C	C	.	.	S	Bend	trans	-151.9	171.2	175.7	60.2	-77.1	0	0	0	112.1	F417 Y504	H102-F417 HydrophobicContact CB-CD1 3.7Å; H102-F417 HydrophobicContact CB-CD2 4.16Å; H102-F417 HydrophobicContact CB-CE1 3.71Å; H102-F417 HydrophobicContact CB-CE2 4.2Å; H102-F417 HydrophobicContact CB-CG 3.92Å; H102-F417 HydrophobicContact CB-CZ 3.99Å; H102-Y504 AromaticContact CD2-CD1 3.86Å; H102-Y504 AromaticContact CD2-CE1 3.68Å; H102-Y504 AromaticContact CE1-CD1 3.54Å; H102-Y504 AromaticContact CE1-CD2 3.27Å; H102-Y504 WeakPolarHBondContact CE1-CD2 3.35Å; H102-Y504 AromaticContact CE1-CE1 3.48Å; H102-Y504 VanDerWaalsContact CE1-CE1 3.48Å; H102-Y504 WeakPolarHBondContact CE1-CE1 3.41Å; H102-Y504 AromaticContact CE1-CE2 3.18Å; H102-Y504 WeakPolarHBondContact CE1-CE2 3.23Å; H102-Y504 AromaticContact CE1-CG 3.42Å; H102-Y504 VanDerWaalsContact CE1-CG 3.42Å; H102-Y504 AromaticContact CE1-CZ 3.27Å; H102-Y504 AromaticContact CG-CE1 3.93Å; H102-Y504 AromaticContact CG-CZ 3.91Å; H102-Y504 PolarHBondContact N-OH 2.9Å; H102-Y504 VanDerWaalsContact N-OH 3.14Å; H102-Y504 AromaticContact ND1-CE1 3.8Å; H102-Y504 AromaticContact ND1-CE2 3.6Å; H102-Y504 AromaticContact ND1-CZ 3.39Å; H102-Y504 AromaticContact NE2-CD1 3.21Å; H102-Y504 WeakPolarHBondContact NE2-CD1 3.48Å; H102-Y504 AromaticContact NE2-CD2 3.77Å; H102-Y504 AromaticContact NE2-CE1 3.41Å; H102-Y504 WeakPolarHBondContact NE2-CE1 3.44Å; H102-Y504 AromaticContact NE2-CE2 3.92Å; H102-Y504 AromaticContact NE2-CG 3.38Å; H102-Y504 AromaticContact NE2-CZ 3.74Å; H102-Y504 WeakPolarHBondContact O-CE1 3.39Å; H102-Y504 PolarHBondContact O-OH 3.14Å
103	N	96.1	Very high	96.4	Very high	55 Å²	55	14.1 Å²	14.1	29%	0.294	8%	0.083	S	C	.	.	P	Polyproline II helix	trans	-66.9	135.4	-176	-74.7	-7.4	0	0	0	113.1	C82 S83 P84	C82-N103 PolarHBondContact N-OD1 3.27Å; S83-N103 PolarHBondContact N-OD1 3.14Å; S83-N103 WeakPolarHBondContact OG-CA 3.46Å; S83-N103 PolarHBondContact OG-OD1 2.83Å; P84-N103 WeakPolarHBondContact CD-OD1 3.47Å
104	F	96.6	Very high	96.4	Very high	4 Å²	4	18.2 Å²	18.2	2%	0.018	10%	0.104	C	C	.	.	P	Polyproline II helix	trans	-72.7	149	170.6	-67.2	-75	0	0	0	111.4	S83 V100 G111 H137 M163 A502 Y504	S83-F104 PolarHBondContact OG-N 3.22Å; V100-F104 HydrophobicContact CG1-CE2 3.72Å; V100-F104 HydrophobicContact CG1-CZ 4.24Å; V100-F104 HydrophobicContact CG2-CE2 4.04Å; V100-F104 HydrophobicContact CG2-CZ 4.1Å; F104-G111 WeakPolarHBondContact CZ-O 3.38Å; F104-H137 PolarHBondContact O-NE2 3.48Å; F104-H137 VanDerWaalsContact O-NE2 3.15Å; F104-M163 WeakPolarHBondContact O-CE 3.36Å; F104-A502 HydrophobicContact CE1-CB 4.23Å; F104-A502 HydrophobicContact CZ-CB 3.91Å; F104-Y504 AromaticContact CD1-CD1 3.7Å; F104-Y504 HydrophobicContact CD1-CD1 3.7Å; F104-Y504 AromaticContact CD1-CE1 3.6Å; F104-Y504 HydrophobicContact CD1-CE1 3.6Å; F104-Y504 AromaticContact CE1-CD1 3.65Å; F104-Y504 HydrophobicContact CE1-CD1 3.65Å; F104-Y504 AromaticContact CE1-CE1 3.39Å; F104-Y504 HydrophobicContact CE1-CE1 3.39Å; F104-Y504 HydrophobicContact CE1-CG 4.45Å; F104-Y504 HydrophobicContact CG-CE1 4.25Å; F104-Y504 AromaticContact CZ-CE1 3.89Å; F104-Y504 HydrophobicContact CZ-CE1 3.89Å
105	A	93.4	Very high	96.4	Very high	13 Å²	13	21.2 Å²	21.2	11%	0.107	13%	0.126	C	C	.	.	P	Polyproline II helix	trans	-94.4	165.5	179.9	0	0	0	0	0	111.9	N107 S108 Q506	A105-N107 VanDerWaalsContact CB-OD1 3.26Å; A105-N107 WeakPolarHBondContact CB-OD1 3.46Å; A105-N107 PolarHBondContact O-N 3.15Å; A105-N107 VanDerWaalsContact O-N 3.13Å; A105-S108 PolarHBondContact N-OG 2.94Å; A105-S108 WeakPolarHBondContact O-CB 3.24Å; A105-S108 PolarHBondContact O-N 3.33Å; A105-S108 VanDerWaalsContact O-N 3.08Å; A105-S108 PolarHBondContact O-OG 3Å; A105-Q506 HydrophobicContact CB-CG 4.4Å
106	V	91.9	Very high	96.4	Very high	1 Å²	1	21 Å²	21	1%	0.006	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.3	178.7	-57.5	0	0	0	0	113.6	H140 Y159 M163 Y198 A511	V106-H140 PolarHBondContact O-CE1 3.1Å; V106-H140 PolarHBondContact O-NE2 3.37Å; V106-Y159 HydrophobicContact CB-CD1 4.38Å; V106-Y159 HydrophobicContact CB-CE1 3.91Å; V106-Y159 HydrophobicContact CG1-CD1 4.2Å; V106-Y159 HydrophobicContact CG1-CD2 4.11Å; V106-Y159 HydrophobicContact CG1-CE1 3.96Å; V106-Y159 HydrophobicContact CG1-CE2 3.84Å; V106-Y159 HydrophobicContact CG1-CG 4.26Å; V106-M163 HydrophobicContact CG1-CB 3.63Å; V106-M163 HydrophobicContact CG1-CE 3.86Å; V106-M163 WeakPolarHBondContact CG1-O 3.37Å; V106-Y198 HydrophobicContact CG1-CD2 4.13Å; V106-Y198 HydrophobicContact CG1-CE2 3.92Å; V106-Y198 HydrophobicContact CG2-CD2 4.13Å; V106-Y198 HydrophobicContact CG2-CE2 3.71Å; V106-A511 WeakPolarHBondContact O-CA 3.15Å
107	N	91.8	Very high	96.6	Very high	14 Å²	14	20.9 Å²	20.9	8%	0.075	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	14.2	-177	63.4	-19.8	0	0	0	111.6	A105 V109 Q189 Q506 D507 A510	A105-N107 VanDerWaalsContact CB-OD1 3.26Å; A105-N107 WeakPolarHBondContact CB-OD1 3.46Å; A105-N107 PolarHBondContact O-N 3.15Å; A105-N107 VanDerWaalsContact O-N 3.13Å; N107-V109 PolarHBondContact O-N 3.04Å; N107-Q189 PolarHBondContact ND2-NE2 3.14Å; N107-Q189 PolarHBondContact OD1-NE2 3.44Å; N107-Q506 VanDerWaalsContact CG-OE1 3.26Å; N107-Q506 WeakPolarHBondContact ND2-CB 3.47Å; N107-Q506 PolarHBondContact ND2-OE1 3.33Å; N107-Q506 CarbonylContact O-C 3.42Å; N107-Q506 VanDerWaalsContact O-CA 3.23Å; N107-Q506 WeakPolarHBondContact O-CA 3.42Å; N107-Q506 WeakPolarHBondContact OD1-CG 3.38Å; N107-Q506 PolarHBondContact OD1-OE1 3.36Å; N107-D507 VanDerWaalsContact CB-O 3.31Å; N107-D507 WeakPolarHBondContact CB-O 3.37Å; N107-D507 PolarHBondContact O-N 3.4Å; N107-A510 WeakPolarHBondContact O-CB 3.39Å
108	S	94.4	Very high	96.6	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.007	12%	0.123	C	C	.	.	B	Isolated β-bridge	trans	-61.1	127.7	172.9	-73.7	0	0	0	0	110.1	A105 A110 N141	A105-S108 PolarHBondContact N-OG 2.94Å; A105-S108 WeakPolarHBondContact O-CB 3.24Å; A105-S108 PolarHBondContact O-N 3.33Å; A105-S108 VanDerWaalsContact O-N 3.08Å; A105-S108 PolarHBondContact O-OG 3Å; S108-A110 VanDerWaalsContact C-N 3.29Å; S108-N141 PolarHBondContact O-ND2 2.88Å
109	V	95.7	Very high	96.6	Very high	53 Å²	53	20.7 Å²	20.7	32%	0.321	12%	0.123	S	C	.	.	S	Bend	trans	-77.3	-22.4	178.7	-56.7	0	0	0	0	112	N107 N505 D507 A510	N107-V109 PolarHBondContact O-N 3.04Å; V109-N505 HydrophobicContact CG2-CB 3.85Å; V109-N505 WeakPolarHBondContact CG2-O 3.26Å; V109-N505 PolarHBondContact N-O 3.27Å; V109-D507 HydrophobicContact CG1-CB 3.52Å; V109-A510 HydrophobicContact CG1-CB 4.08Å
110	A	97.1	Very high	96.7	Very high	2 Å²	2	20.2 Å²	20.2	2%	0.017	12%	0.118	C	C	.	.			trans	-126.9	-170.1	-178.2	0	0	0	0	0	112.1	S108 G139 Y144 D503	S108-A110 VanDerWaalsContact C-N 3.29Å; A110-G139 WeakPolarHBondContact O-CA 3.29Å; A110-Y144 VanDerWaalsContact CA-CE2 3.41Å; A110-Y144 HydrophobicContact CB-CD2 4.34Å; A110-Y144 HydrophobicContact CB-CE1 4.21Å; A110-Y144 HydrophobicContact CB-CE2 3.69Å; A110-D503 HydrophobicContact CB-CB 3.76Å; A110-D503 WeakPolarHBondContact CB-O 3.42Å
111	G	97.8	Very high	96.7	Very high	1 Å²	1	22 Å²	22	1%	0.01	13%	0.127	C	C	.	.			trans	-161.6	-151.9	-172.6	0	0	0	0	0	112.2	F104 P113 L138 Y144	F104-G111 WeakPolarHBondContact CZ-O 3.38Å; G111-P113 WeakPolarHBondContact O-CD 3.48Å; G111-P113 VanDerWaalsContact O-N 3.15Å; G111-L138 CarbonylContact C-O 3.59Å; G111-L138 WeakPolarHBondContact CA-O 3.34Å; G111-Y144 VanDerWaalsContact N-CD1 3.28Å
112	L	98.6	Very high	96.8	Very high	1 Å²	1	21.3 Å²	21.3	1%	0.005	12%	0.121	C	C	.	.	S	Bend	trans	-49	121.7	171.3	177	69.9	0	0	0	109.3	A87 T91 V100 L114 E116 T118 L138 Y144	A87-L112 HydrophobicContact CB-CD1 3.93Å; T91-L112 HydrophobicContact CG2-CD1 4.28Å; T91-L112 HydrophobicContact CG2-CD2 4.26Å; V100-L112 HydrophobicContact CG2-CD1 3.79Å; L112-L114 PolarHBondContact O-N 3.34Å; L112-E116 HydrophobicContact CD1-CB 4.25Å; L112-E116 HydrophobicContact CD1-CG 4.22Å; L112-E116 HydrophobicContact CD2-CB 4.49Å; L112-E116 HydrophobicContact CG-CB 4.25Å; L112-T118 HydrophobicContact CD2-CG2 3.81Å; L112-L138 HydrophobicContact CB-CB 4.17Å; L112-L138 HydrophobicContact CD2-CD1 4.48Å; L112-L138 PolarHBondContact N-O 3.04Å; L112-Y144 VanDerWaalsContact O-CD1 3.28Å; L112-Y144 WeakPolarHBondContact O-CD1 3.49Å; L112-Y144 WeakPolarHBondContact O-CE1 3.38Å
113	P	98.4	Very high	97	Very high	10 Å²	10	18.9 Å²	18.9	7%	0.065	11%	0.11	C	C	.	.			trans	-50	137.7	-176	-33.4	39.4	0	0	0	113	N98 G111 S115 E116 R149 T501 A502	N98-P113 VanDerWaalsContact O-CD 3.3Å; N98-P113 WeakPolarHBondContact O-CD 3.14Å; N98-P113 VanDerWaalsContact O-CG 3.32Å; N98-P113 WeakPolarHBondContact O-CG 3.26Å; G111-P113 WeakPolarHBondContact O-CD 3.48Å; G111-P113 VanDerWaalsContact O-N 3.15Å; P113-S115 PolarHBondContact O-N 3.01Å; P113-E116 HydrophobicContact CB-CG 4.41Å; P113-E116 WeakPolarHBondContact O-CB 3.27Å; P113-E116 PolarHBondContact O-N 3.32Å; P113-R149 PolarHBondContact O-NH2 3.26Å; P113-T501 WeakPolarHBondContact CG-O 3.46Å; P113-A502 HydrophobicContact CG-CB 4.09Å
114	L	97.9	Very high	97.1	Very high	85 Å²	85	19.5 Å²	19.5	45%	0.445	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-16.7	-176.5	-57.2	-179.2	0	0	0	112.8	L112 E116 P143 Y144	L112-L114 PolarHBondContact O-N 3.34Å; L114-E116 PolarHBondContact O-N 3.49Å; L114-P143 HydrophobicContact CD1-CB 3.79Å; L114-P143 HydrophobicContact CD1-CG 3.79Å; L114-P143 HydrophobicContact CD2-CB 3.86Å; L114-P143 HydrophobicContact CD2-CG 4.27Å; L114-P143 HydrophobicContact CG-CB 4.49Å; L114-Y144 HydrophobicContact CD1-CE1 4.43Å; L114-Y144 HydrophobicContact CD2-CD1 3.72Å; L114-Y144 HydrophobicContact CD2-CE1 3.61Å; L114-Y144 HydrophobicContact CD2-CG 4.45Å; L114-Y144 HydrophobicContact CG-CD1 4.35Å; L114-Y144 HydrophobicContact CG-CE1 3.71Å
115	S	97.6	Very high	97.2	Very high	69 Å²	69	26.5 Å²	26.5	48%	0.483	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.8	169.2	45.6	0	0	0	0	113.3	P113 R384 S500	P113-S115 PolarHBondContact O-N 3.01Å; S115-R384 PolarHBondContact O-NH1 3.38Å; S115-R384 PolarHBondContact O-NH2 3.49Å; S115-S500 PolarHBondContact OG-OG 2.86Å
116	E	98.6	Very high	97.4	Very high	2 Å²	2	27 Å²	27	1%	0.009	15%	0.149	C	C	.	.	S	Bend	trans	-77.7	143.2	174.9	-66.7	-57.6	148.1	0	0	111.3	T91 R93 N98 L112 P113 L114 R149 R384 S500	T91-E116 HydrophobicContact CG2-CB 4.02Å; T91-E116 HydrophobicContact CG2-CG 4.42Å; R93-E116 IonicContact NE-OE1 3.45Å; R93-E116 IonicContact NE-OE2 2.97Å; R93-E116 PolarHBondContact NE-OE2 2.97Å; R93-E116 IonicContact NH2-OE1 2.59Å; N98-E116 WeakPolarHBondContact CA-OE1 3.3Å; N98-E116 HydrophobicContact CB-CG 4.03Å; L112-E116 HydrophobicContact CD1-CB 4.25Å; L112-E116 HydrophobicContact CD1-CG 4.22Å; L112-E116 HydrophobicContact CD2-CB 4.49Å; L112-E116 HydrophobicContact CG-CB 4.25Å; P113-E116 HydrophobicContact CB-CG 4.41Å; P113-E116 WeakPolarHBondContact O-CB 3.27Å; P113-E116 PolarHBondContact O-N 3.32Å; L114-E116 PolarHBondContact O-N 3.49Å; E116-R149 PolarHBondContact O-NH1 2.91Å; E116-R149 PolarHBondContact O-NH2 3.12Å; E116-R384 IonicContact OE2-NH1 3.55Å; E116-R384 PolarHBondContact OE2-NH1 3.12Å; E116-S500 VanDerWaalsContact OE1-CB 3.3Å; E116-S500 WeakPolarHBondContact OE1-CB 3.22Å; E116-S500 PolarHBondContact OE1-OG 3.26Å
117	V	98.3	Very high	97.7	Very high	33 Å²	33	28.8 Å²	28.8	20%	0.2	17%	0.167	C	C	.	.			trans	-108	121.9	176.4	179.9	0	0	0	0	107.9	Q121 L122 P381	V117-Q121 HydrophobicContact CG1-CB 4.46Å; V117-L122 HydrophobicContact CG1-CD1 4.15Å; V117-L122 HydrophobicContact CG1-CD2 3.79Å; V117-L122 HydrophobicContact CG1-CG 3.74Å; V117-P381 HydrophobicContact CB-CG 4.28Å; V117-P381 HydrophobicContact CG1-CG 4.18Å; V117-P381 HydrophobicContact CG2-CG 4.36Å
118	T	98.8	Very high	98	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.163	C	C	.	.			trans	-85.5	156	-178.7	73.9	0	0	0	0	112	L90 L112 A120 Q121 L122 R149	L90-T118 CarbonylContact O-C 3.45Å; L90-T118 VanDerWaalsContact O-CA 3.27Å; L90-T118 WeakPolarHBondContact O-CA 3.18Å; L112-T118 HydrophobicContact CD2-CG2 3.81Å; T118-A120 PolarHBondContact O-N 3.35Å; T118-A120 PolarHBondContact OG1-N 3.12Å; T118-Q121 PolarHBondContact O-N 3.3Å; T118-Q121 VanDerWaalsContact O-N 3.15Å; T118-Q121 WeakPolarHBondContact OG1-CG 3.25Å; T118-Q121 PolarHBondContact OG1-N 3.08Å; T118-Q121 VanDerWaalsContact OG1-N 3.09Å; T118-Q121 PolarHBondContact OG1-OE1 3.42Å; T118-L122 PolarHBondContact O-N 3.07Å; T118-R149 HydrophobicContact CG2-CB 4.32Å; T118-R149 PolarHBondContact OG1-O 3.31Å
119	L	98.9	Very high	98.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-51.8	-42.4	169.8	179.2	58.5	0	0	0	111.3	L90 L122 L123 F244 I368 F369 V372 L373	L90-L119 PolarHBondContact O-N 3.15Å; L119-L122 PolarHBondContact O-N 3.25Å; L119-L123 HydrophobicContact CD1-CD1 3.91Å; L119-L123 HydrophobicContact CD1-CG 4.14Å; L119-L123 HydrophobicContact CG-CD1 3.89Å; L119-L123 HydrophobicContact CG-CG 4.47Å; L119-L123 WeakPolarHBondContact O-CG 3.38Å; L119-L123 PolarHBondContact O-N 3.22Å; L119-F244 HydrophobicContact CD2-CE2 3.98Å; L119-F244 HydrophobicContact CD2-CZ 3.84Å; L119-F244 HydrophobicContact CG-CZ 4.29Å; L119-I368 HydrophobicContact CD2-CG2 4.24Å; L119-F369 HydrophobicContact CB-CD2 3.79Å; L119-F369 HydrophobicContact CB-CE2 4.12Å; L119-F369 HydrophobicContact CD1-CD2 4.41Å; L119-V372 HydrophobicContact CD1-CB 4.2Å; L119-V372 HydrophobicContact CD1-CG1 4.05Å; L119-V372 HydrophobicContact CD2-CB 4.23Å; L119-V372 HydrophobicContact CD2-CG1 4.24Å; L119-L373 HydrophobicContact CD1-CD2 3.66Å; L119-L373 HydrophobicContact CD1-CG 3.71Å
120	A	98.8	Very high	98.3	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-62.7	-44.1	179.3	0	0	0	0	0	111.9	T118 L122 L123 Q124 G150 F151 F244	T118-A120 PolarHBondContact O-N 3.35Å; T118-A120 PolarHBondContact OG1-N 3.12Å; A120-L122 VanDerWaalsContact C-N 3.32Å; A120-L122 PolarHBondContact O-N 2.74Å; A120-L123 PolarHBondContact O-N 3.18Å; A120-Q124 VanDerWaalsContact O-CB 3.22Å; A120-Q124 WeakPolarHBondContact O-CB 3.42Å; A120-Q124 PolarHBondContact O-N 3.03Å; A120-G150 CarbonylContact C-O 3.56Å; A120-G150 WeakPolarHBondContact CB-O 3.48Å; A120-F151 HydrophobicContact CB-CD1 3.93Å; A120-F151 HydrophobicContact CB-CD2 3.96Å; A120-F151 HydrophobicContact CB-CE1 3.68Å; A120-F151 HydrophobicContact CB-CE2 3.7Å; A120-F151 HydrophobicContact CB-CG 4.09Å; A120-F151 HydrophobicContact CB-CZ 3.57Å; A120-F244 HydrophobicContact CB-CD1 4.32Å; A120-F244 HydrophobicContact CB-CE1 4.09Å
121	Q	98.8	Very high	98.4	Very high	38 Å²	38	27.1 Å²	27.1	18%	0.178	15%	0.153	C	C	.	.	H	α-helix	trans	-59.2	-43	177.2	-72.2	174.8	-71.3	0	0	112	V117 T118 Q125 G150	V117-Q121 HydrophobicContact CG1-CB 4.46Å; T118-Q121 PolarHBondContact O-N 3.3Å; T118-Q121 VanDerWaalsContact O-N 3.15Å; T118-Q121 WeakPolarHBondContact OG1-CG 3.25Å; T118-Q121 PolarHBondContact OG1-N 3.08Å; T118-Q121 VanDerWaalsContact OG1-N 3.09Å; T118-Q121 PolarHBondContact OG1-OE1 3.42Å; Q121-Q125 WeakPolarHBondContact O-CB 3.36Å; Q121-Q125 VanDerWaalsContact O-CG 3.25Å; Q121-Q125 WeakPolarHBondContact O-CG 3.23Å; Q121-Q125 PolarHBondContact O-N 3.25Å; Q121-G150 VanDerWaalsContact CG-CA 3.48Å
122	L	98.8	Very high	98.5	Very high	13 Å²	13	27.1 Å²	27.1	7%	0.068	15%	0.153	C	C	.	.	H	α-helix	trans	-67.7	-42.5	179.7	-66.2	172.1	0	0	0	111.9	V117 T118 L119 A120 Q125 A126 F369 L373 V378 P381	V117-L122 HydrophobicContact CG1-CD1 4.15Å; V117-L122 HydrophobicContact CG1-CD2 3.79Å; V117-L122 HydrophobicContact CG1-CG 3.74Å; T118-L122 PolarHBondContact O-N 3.07Å; L119-L122 PolarHBondContact O-N 3.25Å; A120-L122 VanDerWaalsContact C-N 3.32Å; A120-L122 PolarHBondContact O-N 2.74Å; L122-Q125 PolarHBondContact O-N 3.23Å; L122-A126 WeakPolarHBondContact O-CB 3.48Å; L122-A126 PolarHBondContact O-N 3.06Å; L122-F369 HydrophobicContact CD1-CE1 4.42Å; L122-F369 HydrophobicContact CD1-CE2 4.18Å; L122-F369 HydrophobicContact CD1-CZ 3.6Å; L122-L373 HydrophobicContact CB-CD2 3.79Å; L122-L373 HydrophobicContact CD1-CD1 3.67Å; L122-L373 HydrophobicContact CD1-CD2 3.98Å; L122-L373 HydrophobicContact CD1-CG 4.48Å; L122-V378 HydrophobicContact CB-CG1 4.3Å; L122-P381 HydrophobicContact CD2-CG 4.21Å
123	L	98.9	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-68.9	-40.8	177.6	-67.9	175.6	0	0	0	111.9	L119 A120 Q125 A126 G127 Y128 T130 F244 V372 L373 A376	L119-L123 HydrophobicContact CD1-CD1 3.91Å; L119-L123 HydrophobicContact CD1-CG 4.14Å; L119-L123 HydrophobicContact CG-CD1 3.89Å; L119-L123 HydrophobicContact CG-CG 4.47Å; L119-L123 WeakPolarHBondContact O-CG 3.38Å; L119-L123 PolarHBondContact O-N 3.22Å; A120-L123 PolarHBondContact O-N 3.18Å; L123-Q125 VanDerWaalsContact C-N 3.34Å; L123-Q125 PolarHBondContact O-N 2.88Å; L123-A126 CarbonylContact O-C 3.01Å; L123-A126 WeakPolarHBondContact O-CA 3.2Å; L123-A126 WeakPolarHBondContact O-CB 3.38Å; L123-A126 PolarHBondContact O-N 2.62Å; L123-G127 PolarHBondContact O-N 3.06Å; L123-Y128 HydrophobicContact CB-CD2 4.2Å; L123-Y128 HydrophobicContact CB-CG 4.1Å; L123-Y128 HydrophobicContact CD2-CD2 4.08Å; L123-Y128 HydrophobicContact CD2-CE2 4.06Å; L123-Y128 HydrophobicContact CD2-CG 4.44Å; L123-Y128 VanDerWaalsContact O-CB 3.31Å; L123-Y128 WeakPolarHBondContact O-CB 3.43Å; L123-Y128 WeakPolarHBondContact O-CD2 3.37Å; L123-Y128 PolarHBondContact O-N 2.93Å; L123-T130 HydrophobicContact CB-CG2 4.3Å; L123-F244 HydrophobicContact CD1-CB 3.72Å; L123-F244 HydrophobicContact CD1-CD1 4Å; L123-F244 HydrophobicContact CD1-CD2 3.83Å; L123-F244 HydrophobicContact CD1-CE2 4.44Å; L123-F244 HydrophobicContact CD1-CG 3.57Å; L123-V372 HydrophobicContact CD1-CG1 3.83Å; L123-V372 HydrophobicContact CD2-CG1 4.42Å; L123-L373 HydrophobicContact CD2-CD2 4.33Å; L123-A376 HydrophobicContact CD2-CB 3.68Å
124	Q	98.6	Very high	98.5	Very high	69 Å²	69	26.6 Å²	26.6	32%	0.322	15%	0.15	S	C	.	.	H	α-helix	trans	-57	-48.2	174.3	-174.7	-169.8	54.9	0	0	110.6	A120 A126 G127 T130 D152	A120-Q124 VanDerWaalsContact O-CB 3.22Å; A120-Q124 WeakPolarHBondContact O-CB 3.42Å; A120-Q124 PolarHBondContact O-N 3.03Å; Q124-A126 PolarHBondContact O-N 3.12Å; Q124-G127 PolarHBondContact O-N 3.18Å; Q124-T130 HydrophobicContact CB-CG2 3.93Å; Q124-D152 PolarHBondContact NE2-OD1 3.03Å
125	Q	98.3	Very high	98.5	Very high	150 Å²	150	22.6 Å²	22.6	70%	0.701	13%	0.129	S	C	*	.	H	α-helix	trans	-61.2	-30.9	175.1	-72.3	172.5	16.7	0	0	112.6	Q121 L122 L123 G127	Q121-Q125 WeakPolarHBondContact O-CB 3.36Å; Q121-Q125 VanDerWaalsContact O-CG 3.25Å; Q121-Q125 WeakPolarHBondContact O-CG 3.23Å; Q121-Q125 PolarHBondContact O-N 3.25Å; L122-Q125 PolarHBondContact O-N 3.23Å; L123-Q125 VanDerWaalsContact C-N 3.34Å; L123-Q125 PolarHBondContact O-N 2.88Å; Q125-G127 PolarHBondContact O-N 3.49Å
126	A	98.1	Very high	98.5	Very high	25 Å²	25	19.5 Å²	19.5	21%	0.207	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	5.4	174.8	0	0	0	0	0	114.1	K31 L122 L123 Q124 Y128 V378	K31-A126 PolarHBondContact NZ-O 3.04Å; L122-A126 WeakPolarHBondContact O-CB 3.48Å; L122-A126 PolarHBondContact O-N 3.06Å; L123-A126 CarbonylContact O-C 3.01Å; L123-A126 WeakPolarHBondContact O-CA 3.2Å; L123-A126 WeakPolarHBondContact O-CB 3.38Å; L123-A126 PolarHBondContact O-N 2.62Å; Q124-A126 PolarHBondContact O-N 3.12Å; A126-Y128 HydrophobicContact CB-CD2 4.21Å; A126-V378 HydrophobicContact CB-CG2 3.45Å; A126-V378 VanDerWaalsContact CB-CG2 3.45Å
127	G	97.2	Very high	98.5	Very high	37 Å²	37	19.6 Å²	19.6	38%	0.381	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	9.7	174.5	0	0	0	0	0	115.1	L123 Q124 Q125 Q241	L123-G127 PolarHBondContact O-N 3.06Å; Q124-G127 PolarHBondContact O-N 3.18Å; Q125-G127 PolarHBondContact O-N 3.49Å; G127-Q241 PolarHBondContact O-NE2 3.14Å; G127-Q241 VanDerWaalsContact O-NE2 3.1Å
128	Y	98.6	Very high	98.5	Very high	2 Å²	2	18 Å²	18	1%	0.008	10%	0.097	C	C	.	.			trans	-72	143.1	172.7	-75.6	-108.6	0	0	0	110.8	K31 P32 F34 L123 A126 P242 F244 A376	K31-Y128 HydrophobicContact CD-CE2 3.93Å; P32-Y128 WeakPolarHBondContact O-CE1 3.28Å; P32-Y128 PolarHBondContact O-OH 3.39Å; F34-Y128 HydrophobicContact CD2-CD1 4.46Å; F34-Y128 AromaticContact CD2-CE1 3.7Å; F34-Y128 HydrophobicContact CD2-CE1 3.7Å; F34-Y128 AromaticContact CE2-CE1 3.69Å; F34-Y128 HydrophobicContact CE2-CE1 3.69Å; F34-Y128 AromaticContact CE2-CZ 3.79Å; F34-Y128 WeakPolarHBondContact CE2-OH 3.45Å; L123-Y128 HydrophobicContact CB-CD2 4.2Å; L123-Y128 HydrophobicContact CB-CG 4.1Å; L123-Y128 HydrophobicContact CD2-CD2 4.08Å; L123-Y128 HydrophobicContact CD2-CE2 4.06Å; L123-Y128 HydrophobicContact CD2-CG 4.44Å; L123-Y128 VanDerWaalsContact O-CB 3.31Å; L123-Y128 WeakPolarHBondContact O-CB 3.43Å; L123-Y128 WeakPolarHBondContact O-CD2 3.37Å; L123-Y128 PolarHBondContact O-N 2.93Å; A126-Y128 HydrophobicContact CB-CD2 4.21Å; Y128-P242 CarbonylContact C-O 3.52Å; Y128-P242 WeakPolarHBondContact CA-O 3.3Å; Y128-P242 HydrophobicContact CD1-CB 3.9Å; Y128-P242 HydrophobicContact CD1-CG 4.34Å; Y128-P242 HydrophobicContact CD2-CG 4.49Å; Y128-P242 HydrophobicContact CE1-CB 3.74Å; Y128-P242 HydrophobicContact CE1-CG 4.43Å; Y128-P242 HydrophobicContact CG-CB 4.41Å; Y128-P242 HydrophobicContact CG-CG 4.36Å; Y128-F244 HydrophobicContact CD1-CB 4.48Å; Y128-A376 HydrophobicContact CE2-CB 4.08Å
129	Y	98.6	Very high	98.4	Very high	34 Å²	34	18 Å²	18	13%	0.133	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	121.8	159.6	-176.8	-126.4	0	0	0	109	D152 Y153 I232 A236 P242 Y243 F244	Y129-D152 HydrophobicContact CD2-CB 3.71Å; Y129-D152 HydrophobicContact CE2-CB 3.48Å; Y129-D152 VanDerWaalsContact CE2-CB 3.48Å; Y129-Y153 WeakPolarHBondContact OH-CB 3.45Å; Y129-I232 HydrophobicContact CD1-CG2 4.16Å; Y129-I232 HydrophobicContact CE1-CD1 3.64Å; Y129-I232 HydrophobicContact CE1-CG2 3.9Å; Y129-I232 WeakPolarHBondContact OH-CD1 3.47Å; Y129-A236 HydrophobicContact CD1-CB 4.42Å; Y129-P242 PolarHBondContact N-O 3.42Å; Y129-Y243 CarbonylContact O-C 3.55Å; Y129-Y243 WeakPolarHBondContact O-CA 3.32Å; Y129-Y243 WeakPolarHBondContact O-CB 3.48Å; Y129-F244 PolarHBondContact O-N 3.37Å
130	T	98.9	Very high	98	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.9	-172.8	54.3	0	0	0	0	110.3	L123 Q124 G150 F151 D152 Y153 F244	L123-T130 HydrophobicContact CB-CG2 4.3Å; Q124-T130 HydrophobicContact CB-CG2 3.93Å; T130-G150 WeakPolarHBondContact CB-O 3.34Å; T130-G150 PolarHBondContact OG1-O 3.48Å; T130-F151 WeakPolarHBondContact OG1-CA 3.36Å; T130-D152 PolarHBondContact N-OD2 2.88Å; T130-D152 WeakPolarHBondContact O-CA 3.36Å; T130-D152 WeakPolarHBondContact O-CB 3.4Å; T130-D152 PolarHBondContact O-N 3.48Å; T130-D152 VanDerWaalsContact OG1-CG 3.32Å; T130-D152 PolarHBondContact OG1-N 3.46Å; T130-D152 PolarHBondContact OG1-OD2 3.24Å; T130-Y153 PolarHBondContact O-N 2.92Å; T130-Y153 VanDerWaalsContact O-N 3.11Å; T130-F244 WeakPolarHBondContact CA-O 3.1Å; T130-F244 HydrophobicContact CG2-CB 4.3Å; T130-F244 HydrophobicContact CG2-CD1 4.33Å
131	A	98.9	Very high	97.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	144.2	178.7	0	0	0	0	0	111.3	F151 Y153 I232 F244 L245 L246	A131-F151 VanDerWaalsContact C-CD1 3.45Å; A131-Y153 VanDerWaalsContact CA-O 3.29Å; A131-Y153 WeakPolarHBondContact CA-O 3.27Å; A131-Y153 HydrophobicContact CB-CD1 4.29Å; A131-I232 HydrophobicContact CB-CD1 3.99Å; A131-I232 HydrophobicContact CB-CG1 4Å; A131-I232 HydrophobicContact CB-CG2 3.85Å; A131-F244 PolarHBondContact N-O 2.83Å; A131-L245 HydrophobicContact CB-CD1 3.96Å; A131-L245 WeakPolarHBondContact O-CA 3.33Å; A131-L246 PolarHBondContact O-N 2.89Å
132	V	98.8	Very high	97.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	129	168.8	57.2	0	0	0	0	110.5	P146 F151 Y153 Y154 F155 L246 A248	V132-P146 HydrophobicContact CG1-CB 3.71Å; V132-P146 HydrophobicContact CG1-CG 4.39Å; V132-F151 HydrophobicContact CB-CD1 3.78Å; V132-F151 HydrophobicContact CB-CD2 4.29Å; V132-F151 HydrophobicContact CB-CE1 3.71Å; V132-F151 HydrophobicContact CB-CE2 4.23Å; V132-F151 HydrophobicContact CB-CG 4.06Å; V132-F151 HydrophobicContact CB-CZ 3.93Å; V132-F151 HydrophobicContact CG1-CB 4.04Å; V132-F151 HydrophobicContact CG1-CD1 3.84Å; V132-F151 HydrophobicContact CG1-CD2 3.71Å; V132-F151 HydrophobicContact CG1-CE1 4.17Å; V132-F151 HydrophobicContact CG1-CE2 4.06Å; V132-F151 HydrophobicContact CG1-CG 3.59Å; V132-F151 HydrophobicContact CG1-CZ 4.26Å; V132-Y153 PolarHBondContact N-O 3.02Å; V132-Y154 HydrophobicContact CG1-CD2 3.69Å; V132-Y154 HydrophobicContact CG1-CE2 4.49Å; V132-Y154 HydrophobicContact CG1-CG 4.33Å; V132-Y154 WeakPolarHBondContact O-CA 3.26Å; V132-F155 PolarHBondContact O-N 2.92Å; V132-L246 CarbonylContact C-O 3.56Å; V132-L246 VanDerWaalsContact CA-O 3.29Å; V132-L246 WeakPolarHBondContact CA-O 3.31Å; V132-L246 HydrophobicContact CB-CB 4.24Å; V132-L246 HydrophobicContact CG2-CB 4.11Å; V132-L246 HydrophobicContact CG2-CD2 3.88Å; V132-L246 HydrophobicContact CG2-CG 4.01Å; V132-A248 HydrophobicContact CG2-CB 4.43Å
133	I	98.8	Very high	97	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	120.4	178.4	-50.7	-62.6	0	0	0	107.6	Y153 F155 Y225 A228 A229 I232 L245 L246 V247 A248	I133-Y153 HydrophobicContact CD1-CD1 3.9Å; I133-Y153 HydrophobicContact CD1-CE1 3.54Å; I133-F155 CarbonylContact C-O 3.57Å; I133-F155 VanDerWaalsContact CA-O 3.29Å; I133-F155 WeakPolarHBondContact CA-O 3.1Å; I133-F155 HydrophobicContact CD1-CB 3.93Å; I133-F155 HydrophobicContact CG2-CD1 4.44Å; I133-Y225 HydrophobicContact CG2-CD1 3.81Å; I133-Y225 HydrophobicContact CG2-CG 3.93Å; I133-A228 HydrophobicContact CD1-CB 3.93Å; I133-A228 HydrophobicContact CG2-CB 4.39Å; I133-A229 HydrophobicContact CG1-CB 4.2Å; I133-I232 HydrophobicContact CD1-CG1 4.48Å; I133-L245 HydrophobicContact CG1-CD1 3.77Å; I133-L246 PolarHBondContact N-O 3.16Å; I133-V247 CarbonylContact O-C 3.19Å; I133-V247 WeakPolarHBondContact O-CA 3.14Å; I133-A248 PolarHBondContact O-N 2.86Å
134	G	98.4	Very high	97	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	114.6	-148.7	176.8	0	0	0	0	0	115.7	Y154 F155 G156 I157 Y225 A248	G134-Y154 WeakPolarHBondContact O-CE2 3.35Å; G134-F155 PolarHBondContact N-O 3.23Å; G134-G156 WeakPolarHBondContact O-CA 3.45Å; G134-I157 PolarHBondContact O-N 3.37Å; G134-Y225 VanDerWaalsContact CA-CZ 3.48Å; G134-A248 CarbonylContact C-O 3.5Å; G134-A248 VanDerWaalsContact CA-O 3.25Å; G134-A248 WeakPolarHBondContact CA-O 3.28Å
135	K	98.5	Very high	96.9	Very high	1 Å²	1	23.9 Å²	23.9	0%	0.004	15%	0.145	C	C	.	.			trans	-71.4	127.1	-174.7	-174.5	175.4	76.3	173.6	0	111.5	D40 C82 R86 H137 I157 S160 A248	D40-K135 IonicContact OD1-NZ 2.81Å; D40-K135 PolarHBondContact OD1-NZ 3.5Å; D40-K135 WeakPolarHBondContact OD2-CE 3.31Å; D40-K135 IonicContact OD2-NZ 2.65Å; D40-K135 PolarHBondContact OD2-NZ 3.49Å; C82-K135 PolarHBondContact SG-NZ 3.37Å; R86-K135 PolarHBondContact NH1-O 3.11Å; K135-H137 HydrophobicContact CD-CB 4.22Å; K135-H137 HydrophobicContact CG-CB 4.06Å; K135-I157 WeakPolarHBondContact CA-O 3.21Å; K135-I157 HydrophobicContact CB-CD1 4.36Å; K135-I157 HydrophobicContact CB-CG1 3.99Å; K135-I157 HydrophobicContact CG-CD1 4.5Å; K135-I157 HydrophobicContact CG-CG1 4.23Å; K135-S160 PolarHBondContact NZ-OG 2.81Å; K135-S160 VanDerWaalsContact NZ-OG 3.13Å; K135-A248 PolarHBondContact N-O 3.05Å; K135-A248 WeakPolarHBondContact O-CB 3.14Å
136	W	98.1	Very high	96.8	Very high	5 Å²	5	16.9 Å²	16.9	2%	0.019	11%	0.113	C	C	.	.			trans	-86.5	-66.6	174.4	178.3	-130.8	0	0	0	112.8	L90 L138 G139 Y144 P146 R149 F151 I157	L90-W136 HydrophobicContact CD1-CH2 3.77Å; L90-W136 HydrophobicContact CD1-CZ3 3.53Å; W136-L138 VanDerWaalsContact C-N 3.32Å; W136-L138 HydrophobicContact CD2-CB 4.13Å; W136-L138 HydrophobicContact CE3-CD1 4.38Å; W136-L138 HydrophobicContact CH2-CB 4.31Å; W136-L138 HydrophobicContact CH2-CD1 3.73Å; W136-L138 HydrophobicContact CZ2-CB 3.7Å; W136-L138 HydrophobicContact CZ2-CD1 3.99Å; W136-L138 HydrophobicContact CZ2-CG 4.42Å; W136-L138 HydrophobicContact CZ3-CD1 3.95Å; W136-L138 PolarHBondContact O-N 2.88Å; W136-G139 PolarHBondContact NE1-O 3.48Å; W136-Y144 PolarHBondContact NE1-O 3.21Å; W136-P146 HydrophobicContact CB-CG 4.01Å; W136-P146 HydrophobicContact CD2-CB 4.38Å; W136-P146 HydrophobicContact CD2-CG 3.66Å; W136-P146 HydrophobicContact CE3-CB 4.48Å; W136-P146 HydrophobicContact CE3-CG 4.13Å; W136-P146 HydrophobicContact CG-CG 3.59Å; W136-R149 HydrophobicContact CH2-CB 4.11Å; W136-R149 HydrophobicContact CZ2-CB 3.99Å; W136-R149 HydrophobicContact CZ2-CG 3.98Å; W136-F151 HydrophobicContact CH2-CE2 4.25Å; W136-F151 HydrophobicContact CZ3-CD2 4.49Å; W136-F151 AromaticContact CZ3-CE2 3.84Å; W136-F151 HydrophobicContact CZ3-CE2 3.84Å; W136-I157 PolarHBondContact N-O 2.91Å
137	H	98	Very high	96.8	Very high	3 Å²	3	17.7 Å²	17.7	1%	0.014	11%	0.114	C	C	.	.			trans	59.7	28.3	176.2	-145.9	172.5	0	0	0	116.3	C82 S83 F104 K135 P158 S160	C82-H137 WeakPolarHBondContact CB-ND1 3.12Å; S83-H137 VanDerWaalsContact CB-O 3.22Å; S83-H137 WeakPolarHBondContact CB-O 3.44Å; S83-H137 PolarHBondContact OG-CD2 2.73Å; S83-H137 PolarHBondContact OG-O 2.87Å; F104-H137 PolarHBondContact O-NE2 3.48Å; F104-H137 VanDerWaalsContact O-NE2 3.15Å; K135-H137 HydrophobicContact CD-CB 4.22Å; K135-H137 HydrophobicContact CG-CB 4.06Å; H137-P158 WeakPolarHBondContact CA-O 3.41Å; H137-P158 PolarHBondContact N-O 3.5Å; H137-S160 PolarHBondContact CE1-OG 3.48Å
138	L	98.3	Very high	96.8	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	S	Bend	trans	-123	33.2	177	-66.7	176.8	0	0	0	112.5	S83 R86 A87 L90 G111 L112 W136	S83-L138 VanDerWaalsContact O-CD2 3.28Å; S83-L138 WeakPolarHBondContact O-CD2 3.39Å; R86-L138 HydrophobicContact CB-CD1 4.19Å; R86-L138 HydrophobicContact CB-CD2 4.22Å; R86-L138 HydrophobicContact CB-CG 4.25Å; A87-L138 HydrophobicContact CB-CD2 3.73Å; L90-L138 HydrophobicContact CD1-CD1 3.7Å; G111-L138 CarbonylContact C-O 3.59Å; G111-L138 WeakPolarHBondContact CA-O 3.34Å; L112-L138 HydrophobicContact CB-CB 4.17Å; L112-L138 HydrophobicContact CD2-CD1 4.48Å; L112-L138 PolarHBondContact N-O 3.04Å; W136-L138 VanDerWaalsContact C-N 3.32Å; W136-L138 HydrophobicContact CD2-CB 4.13Å; W136-L138 HydrophobicContact CE3-CD1 4.38Å; W136-L138 HydrophobicContact CH2-CB 4.31Å; W136-L138 HydrophobicContact CH2-CD1 3.73Å; W136-L138 HydrophobicContact CZ2-CB 3.7Å; W136-L138 HydrophobicContact CZ2-CD1 3.99Å; W136-L138 HydrophobicContact CZ2-CG 4.42Å; W136-L138 HydrophobicContact CZ3-CD1 3.95Å; W136-L138 PolarHBondContact O-N 2.88Å
139	G	95.8	Very high	96.8	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.01	12%	0.12	C	C	.	.			trans	79.7	136	-170.6	0	0	0	0	0	111.8	A110 W136 Y144	A110-G139 WeakPolarHBondContact O-CA 3.29Å; W136-G139 PolarHBondContact NE1-O 3.48Å; G139-Y144 CarbonylContact O-C 3.52Å
140	H	91.7	Very high	96.8	Very high	26 Å²	26	19.1 Å²	19.1	12%	0.12	12%	0.115	C	C	.	.			trans	-114.7	-7.7	-168.7	52.8	-83.2	0	0	0	114.2	V106 P158 Y159 A510 P512	V106-H140 PolarHBondContact O-CE1 3.1Å; V106-H140 PolarHBondContact O-NE2 3.37Å; H140-P158 HydrophobicContact CB-CB 3.44Å; H140-P158 VanDerWaalsContact CB-CB 3.44Å; H140-Y159 AromaticContact ND1-CD1 3.9Å; H140-A510 PolarHBondContact NE2-O 2.79Å; H140-P512 VanDerWaalsContact CD2-CG 3.49Å; H140-P512 WeakPolarHBondContact CD2-CG 3.16Å
141	N	88.1	Confident	96.8	Very high	44 Å²	44	19.2 Å²	19.2	24%	0.235	12%	0.115	C	C	.	.	S	Bend	trans	-89.3	137.4	-174.1	-74.6	-51.8	0	0	0	112.6	S108 P143 Y144 A510	S108-N141 PolarHBondContact O-ND2 2.88Å; N141-P143 WeakPolarHBondContact O-CD 3.3Å; N141-Y144 WeakPolarHBondContact O-CB 3.46Å; N141-Y144 VanDerWaalsContact O-CD2 3.25Å; N141-Y144 WeakPolarHBondContact O-CD2 3.3Å; N141-Y144 PolarHBondContact O-N 3.01Å; N141-A510 VanDerWaalsContact ND2-CB 3.34Å; N141-A510 WeakPolarHBondContact ND2-CB 3.44Å; N141-A510 PolarHBondContact ND2-O 3.22Å; N141-A510 PolarHBondContact OD1-O 2.83Å
142	G	91.3	Very high	96.7	Very high	50 Å²	50	22.1 Å²	22.1	52%	0.515	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	46	-119	170.8	0	0	0	0	0	113.5	Y144 S145 N148	G142-Y144 PolarHBondContact O-N 2.89Å; G142-Y144 VanDerWaalsContact O-N 3.12Å; G142-S145 PolarHBondContact O-N 2.81Å; G142-S145 PolarHBondContact O-OG 3.35Å; G142-N148 PolarHBondContact O-ND2 3.47Å
143	P	96.3	Very high	96.7	Very high	60 Å²	60	22.9 Å²	22.9	39%	0.39	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	-68.3	-10.7	-174.2	32.2	-37.3	0	0	0	114	L114 N141 N148 R149	L114-P143 HydrophobicContact CD1-CB 3.79Å; L114-P143 HydrophobicContact CD1-CG 3.79Å; L114-P143 HydrophobicContact CD2-CB 3.86Å; L114-P143 HydrophobicContact CD2-CG 4.27Å; L114-P143 HydrophobicContact CG-CB 4.49Å; N141-P143 WeakPolarHBondContact O-CD 3.3Å; P143-N148 VanDerWaalsContact O-CB 3.27Å; P143-N148 WeakPolarHBondContact O-CB 3.18Å; P143-R149 VanDerWaalsContact O-CD 3.26Å; P143-R149 WeakPolarHBondContact O-CD 3.36Å
144	Y	97.4	Very high	96.7	Very high	45 Å²	45	23 Å²	23	18%	0.176	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-88.7	-10.3	179.5	-54.3	-77.4	0	0	0	113.1	A110 G111 L112 L114 W136 G139 N141 G142	A110-Y144 VanDerWaalsContact CA-CE2 3.41Å; A110-Y144 HydrophobicContact CB-CD2 4.34Å; A110-Y144 HydrophobicContact CB-CE1 4.21Å; A110-Y144 HydrophobicContact CB-CE2 3.69Å; G111-Y144 VanDerWaalsContact N-CD1 3.28Å; L112-Y144 VanDerWaalsContact O-CD1 3.28Å; L112-Y144 WeakPolarHBondContact O-CD1 3.49Å; L112-Y144 WeakPolarHBondContact O-CE1 3.38Å; L114-Y144 HydrophobicContact CD1-CE1 4.43Å; L114-Y144 HydrophobicContact CD2-CD1 3.72Å; L114-Y144 HydrophobicContact CD2-CE1 3.61Å; L114-Y144 HydrophobicContact CD2-CG 4.45Å; L114-Y144 HydrophobicContact CG-CD1 4.35Å; L114-Y144 HydrophobicContact CG-CE1 3.71Å; W136-Y144 PolarHBondContact NE1-O 3.21Å; G139-Y144 CarbonylContact O-C 3.52Å; N141-Y144 WeakPolarHBondContact O-CB 3.46Å; N141-Y144 VanDerWaalsContact O-CD2 3.25Å; N141-Y144 WeakPolarHBondContact O-CD2 3.3Å; N141-Y144 PolarHBondContact O-N 3.01Å; G142-Y144 PolarHBondContact O-N 2.89Å; G142-Y144 VanDerWaalsContact O-N 3.12Å
145	S	96.3	Very high	96.8	Very high	19 Å²	19	23.9 Å²	23.9	13%	0.133	14%	0.138	C	C	.	.	S	Bend	trans	-63.9	153	178.3	75.2	0	0	0	0	112.2	G142 N147 N148 R149	G142-S145 PolarHBondContact O-N 2.81Å; G142-S145 PolarHBondContact O-OG 3.35Å; S145-N147 VanDerWaalsContact C-N 3.26Å; S145-N147 PolarHBondContact O-N 2.94Å; S145-N147 VanDerWaalsContact O-N 3.13Å; S145-N148 PolarHBondContact O-N 3.39Å; S145-N148 PolarHBondContact OG-ND2 3.4Å; S145-R149 WeakPolarHBondContact O-CG 3.19Å; S145-R149 PolarHBondContact O-N 3.37Å
146	P	97.9	Very high	96.7	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.019	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-53.9	-40.1	-175.5	-28.2	35.3	0	0	0	114.2	V132 W136 N148 R149 G150 F151 Y154	V132-P146 HydrophobicContact CG1-CB 3.71Å; V132-P146 HydrophobicContact CG1-CG 4.39Å; W136-P146 HydrophobicContact CB-CG 4.01Å; W136-P146 HydrophobicContact CD2-CB 4.38Å; W136-P146 HydrophobicContact CD2-CG 3.66Å; W136-P146 HydrophobicContact CE3-CB 4.48Å; W136-P146 HydrophobicContact CE3-CG 4.13Å; W136-P146 HydrophobicContact CG-CG 3.59Å; P146-N148 VanDerWaalsContact C-N 3.25Å; P146-N148 PolarHBondContact O-N 3.28Å; P146-R149 CarbonylContact O-C 3.59Å; P146-R149 WeakPolarHBondContact O-CA 3.27Å; P146-R149 PolarHBondContact O-N 3.4Å; P146-G150 PolarHBondContact O-N 3.09Å; P146-F151 HydrophobicContact CB-CD2 4.17Å; P146-F151 PolarHBondContact O-N 3.46Å; P146-Y154 HydrophobicContact CB-CD1 4.24Å; P146-Y154 HydrophobicContact CB-CD2 4.14Å; P146-Y154 HydrophobicContact CB-CG 3.85Å; P146-Y154 HydrophobicContact CG-CD1 3.69Å; P146-Y154 HydrophobicContact CG-CD2 3.83Å; P146-Y154 HydrophobicContact CG-CE1 3.83Å; P146-Y154 HydrophobicContact CG-CE2 3.97Å; P146-Y154 HydrophobicContact CG-CG 3.67Å
147	N	97.4	Very high	96.7	Very high	42 Å²	42	23.6 Å²	23.6	23%	0.225	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-65.6	-28.5	-179.9	-60.3	100	0	0	0	113.6	S145 R149 F151 N208	S145-N147 VanDerWaalsContact C-N 3.26Å; S145-N147 PolarHBondContact O-N 2.94Å; S145-N147 VanDerWaalsContact O-N 3.13Å; N147-R149 VanDerWaalsContact C-N 3.27Å; N147-F151 VanDerWaalsContact CA-O 3.23Å; N147-F151 WeakPolarHBondContact CA-O 3.31Å; N147-F151 PolarHBondContact ND2-O 2.96Å; N147-F151 VanDerWaalsContact ND2-O 3.11Å; N147-N208 PolarHBondContact ND2-OD1 3.27Å; N147-N208 VanDerWaalsContact ND2-OD1 3.11Å; N147-N208 WeakPolarHBondContact OD1-CA 3Å; N147-N208 PolarHBondContact OD1-O 3.2Å
148	N	97.3	Very high	96.7	Very high	94 Å²	94	23.7 Å²	23.7	50%	0.503	14%	0.138	S	C	.	.	G	3₁₀ helix	trans	-84.4	-5	173.8	-69.2	-50.7	0	0	0	112.8	G142 P143 S145 P146	G142-N148 PolarHBondContact O-ND2 3.47Å; P143-N148 VanDerWaalsContact O-CB 3.27Å; P143-N148 WeakPolarHBondContact O-CB 3.18Å; S145-N148 PolarHBondContact O-N 3.39Å; S145-N148 PolarHBondContact OG-ND2 3.4Å; P146-N148 VanDerWaalsContact C-N 3.25Å; P146-N148 PolarHBondContact O-N 3.28Å
149	R	98	Very high	96.5	Very high	7 Å²	7	23.8 Å²	23.8	3%	0.026	14%	0.138	C	C	.	.	G	3₁₀ helix	trans	-114.4	28.6	-179.5	-55	-57.4	-67.6	143.4	-4	112	P113 E116 T118 W136 P143 S145 P146 N147	P113-R149 PolarHBondContact O-NH2 3.26Å; E116-R149 PolarHBondContact O-NH1 2.91Å; E116-R149 PolarHBondContact O-NH2 3.12Å; T118-R149 HydrophobicContact CG2-CB 4.32Å; T118-R149 PolarHBondContact OG1-O 3.31Å; W136-R149 HydrophobicContact CH2-CB 4.11Å; W136-R149 HydrophobicContact CZ2-CB 3.99Å; W136-R149 HydrophobicContact CZ2-CG 3.98Å; P143-R149 VanDerWaalsContact O-CD 3.26Å; P143-R149 WeakPolarHBondContact O-CD 3.36Å; S145-R149 WeakPolarHBondContact O-CG 3.19Å; S145-R149 PolarHBondContact O-N 3.37Å; P146-R149 CarbonylContact O-C 3.59Å; P146-R149 WeakPolarHBondContact O-CA 3.27Å; P146-R149 PolarHBondContact O-N 3.4Å; N147-R149 VanDerWaalsContact C-N 3.27Å
150	G	98.1	Very high	96.5	Very high	2 Å²	2	23.9 Å²	23.9	2%	0.021	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	94.3	10.1	167.6	0	0	0	0	0	115.8	A120 Q121 T130 P146	A120-G150 CarbonylContact C-O 3.56Å; A120-G150 WeakPolarHBondContact CB-O 3.48Å; Q121-G150 VanDerWaalsContact CG-CA 3.48Å; T130-G150 WeakPolarHBondContact CB-O 3.34Å; T130-G150 PolarHBondContact OG1-O 3.48Å; P146-G150 PolarHBondContact O-N 3.09Å
151	F	98.7	Very high	96.6	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	13%	0.134	C	C	.	.			trans	-98.5	123.5	174.9	-68	-78.8	0	0	0	111.8	L90 A120 T130 A131 V132 W136 P146 N147 Y153 F244 L246	L90-F151 HydrophobicContact CD2-CZ 4.39Å; A120-F151 HydrophobicContact CB-CD1 3.93Å; A120-F151 HydrophobicContact CB-CD2 3.96Å; A120-F151 HydrophobicContact CB-CE1 3.68Å; A120-F151 HydrophobicContact CB-CE2 3.7Å; A120-F151 HydrophobicContact CB-CG 4.09Å; A120-F151 HydrophobicContact CB-CZ 3.57Å; T130-F151 WeakPolarHBondContact OG1-CA 3.36Å; A131-F151 VanDerWaalsContact C-CD1 3.45Å; V132-F151 HydrophobicContact CB-CD1 3.78Å; V132-F151 HydrophobicContact CB-CD2 4.29Å; V132-F151 HydrophobicContact CB-CE1 3.71Å; V132-F151 HydrophobicContact CB-CE2 4.23Å; V132-F151 HydrophobicContact CB-CG 4.06Å; V132-F151 HydrophobicContact CB-CZ 3.93Å; V132-F151 HydrophobicContact CG1-CB 4.04Å; V132-F151 HydrophobicContact CG1-CD1 3.84Å; V132-F151 HydrophobicContact CG1-CD2 3.71Å; V132-F151 HydrophobicContact CG1-CE1 4.17Å; V132-F151 HydrophobicContact CG1-CE2 4.06Å; V132-F151 HydrophobicContact CG1-CG 3.59Å; V132-F151 HydrophobicContact CG1-CZ 4.26Å; W136-F151 HydrophobicContact CH2-CE2 4.25Å; W136-F151 HydrophobicContact CZ3-CD2 4.49Å; W136-F151 AromaticContact CZ3-CE2 3.84Å; W136-F151 HydrophobicContact CZ3-CE2 3.84Å; P146-F151 HydrophobicContact CB-CD2 4.17Å; P146-F151 PolarHBondContact O-N 3.46Å; N147-F151 VanDerWaalsContact CA-O 3.23Å; N147-F151 WeakPolarHBondContact CA-O 3.31Å; N147-F151 PolarHBondContact ND2-O 2.96Å; N147-F151 VanDerWaalsContact ND2-O 3.11Å; F151-Y153 PolarHBondContact O-N 2.63Å; F151-F244 AromaticContact CE1-CD1 4Å; F151-F244 HydrophobicContact CE1-CD1 4Å; F151-F244 AromaticContact CE1-CE1 3.61Å; F151-F244 HydrophobicContact CE1-CE1 3.61Å; F151-F244 AromaticContact CZ-CE1 3.96Å; F151-F244 HydrophobicContact CZ-CE1 3.96Å; F151-L246 HydrophobicContact CE1-CB 4.15Å; F151-L246 HydrophobicContact CZ-CB 4.29Å; F151-L246 HydrophobicContact CZ-CD2 3.93Å
152	D	98.6	Very high	96.8	Very high	62 Å²	62	21 Å²	21	33%	0.332	12%	0.124	S	C	.	.	S	Bend	trans	-67.9	-28.5	174.6	-57.5	-60.2	0	0	0	112.3	Q124 Y129 T130	Q124-D152 PolarHBondContact NE2-OD1 3.03Å; Y129-D152 HydrophobicContact CD2-CB 3.71Å; Y129-D152 HydrophobicContact CE2-CB 3.48Å; Y129-D152 VanDerWaalsContact CE2-CB 3.48Å; T130-D152 PolarHBondContact N-OD2 2.88Å; T130-D152 WeakPolarHBondContact O-CA 3.36Å; T130-D152 WeakPolarHBondContact O-CB 3.4Å; T130-D152 PolarHBondContact O-N 3.48Å; T130-D152 VanDerWaalsContact OG1-CG 3.32Å; T130-D152 PolarHBondContact OG1-N 3.46Å; T130-D152 PolarHBondContact OG1-OD2 3.24Å
153	Y	98.8	Very high	96.9	Very high	15 Å²	15	19.4 Å²	19.4	6%	0.059	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	136.7	179.3	-178.5	-91.2	0	0	0	112.4	Y129 T130 A131 V132 I133 F151 F155 E207 N208 R231 I232	Y129-Y153 WeakPolarHBondContact OH-CB 3.45Å; T130-Y153 PolarHBondContact O-N 2.92Å; T130-Y153 VanDerWaalsContact O-N 3.11Å; A131-Y153 VanDerWaalsContact CA-O 3.29Å; A131-Y153 WeakPolarHBondContact CA-O 3.27Å; A131-Y153 HydrophobicContact CB-CD1 4.29Å; V132-Y153 PolarHBondContact N-O 3.02Å; I133-Y153 HydrophobicContact CD1-CD1 3.9Å; I133-Y153 HydrophobicContact CD1-CE1 3.54Å; F151-Y153 PolarHBondContact O-N 2.63Å; Y153-F155 HydrophobicContact CE1-CB 3.54Å; Y153-F155 WeakPolarHBondContact OH-CB 3.25Å; Y153-E207 HydrophobicContact CE2-CG 4.07Å; Y153-E207 PolarHBondContact OH-OE1 3Å; Y153-N208 WeakPolarHBondContact CA-OD1 3.35Å; Y153-R231 PolarHBondContact OH-NH2 3.09Å; Y153-I232 HydrophobicContact CD1-CD1 3.62Å; Y153-I232 HydrophobicContact CD1-CG1 4.23Å; Y153-I232 HydrophobicContact CE1-CD1 4.14Å; Y153-I232 HydrophobicContact CG-CD1 3.85Å
154	Y	98.8	Very high	96.6	Very high	4 Å²	4	16.7 Å²	16.7	2%	0.016	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.2	172.9	171.9	-133.1	0	0	0	111	V132 G134 P146 G156 I157 V206 E207 N208	V132-Y154 HydrophobicContact CG1-CD2 3.69Å; V132-Y154 HydrophobicContact CG1-CE2 4.49Å; V132-Y154 HydrophobicContact CG1-CG 4.33Å; V132-Y154 WeakPolarHBondContact O-CA 3.26Å; G134-Y154 WeakPolarHBondContact O-CE2 3.35Å; P146-Y154 HydrophobicContact CB-CD1 4.24Å; P146-Y154 HydrophobicContact CB-CD2 4.14Å; P146-Y154 HydrophobicContact CB-CG 3.85Å; P146-Y154 HydrophobicContact CG-CD1 3.69Å; P146-Y154 HydrophobicContact CG-CD2 3.83Å; P146-Y154 HydrophobicContact CG-CE1 3.83Å; P146-Y154 HydrophobicContact CG-CE2 3.97Å; P146-Y154 HydrophobicContact CG-CG 3.67Å; Y154-G156 VanDerWaalsContact OH-C 3.27Å; Y154-G156 PolarHBondContact OH-O 2.86Å; Y154-I157 PolarHBondContact OH-N 3.4Å; Y154-I157 PolarHBondContact OH-O 2.86Å; Y154-V206 HydrophobicContact CD1-CB 4.38Å; Y154-V206 HydrophobicContact CD1-CG1 4.01Å; Y154-V206 HydrophobicContact CE1-CB 3.76Å; Y154-V206 HydrophobicContact CE1-CG1 3.78Å; Y154-E207 CarbonylContact O-C 3.54Å; Y154-E207 WeakPolarHBondContact O-CA 3.08Å; Y154-N208 PolarHBondContact N-OD1 3.29Å; Y154-N208 PolarHBondContact O-N 2.99Å
155	F	98.8	Very high	96.3	Very high	18 Å²	18	14.6 Å²	14.6	8%	0.079	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	111.8	167.3	-177.9	-104.7	0	0	0	111.1	V132 I133 G134 Y153 L205 V206 E207 V212 K224 Y225 A228	V132-F155 PolarHBondContact O-N 2.92Å; I133-F155 CarbonylContact C-O 3.57Å; I133-F155 VanDerWaalsContact CA-O 3.29Å; I133-F155 WeakPolarHBondContact CA-O 3.1Å; I133-F155 HydrophobicContact CD1-CB 3.93Å; I133-F155 HydrophobicContact CG2-CD1 4.44Å; G134-F155 PolarHBondContact N-O 3.23Å; Y153-F155 HydrophobicContact CE1-CB 3.54Å; Y153-F155 WeakPolarHBondContact OH-CB 3.25Å; F155-L205 HydrophobicContact CE2-CD2 3.97Å; F155-L205 HydrophobicContact CE2-CG 4.17Å; F155-L205 HydrophobicContact CZ-CD1 4.32Å; F155-L205 HydrophobicContact CZ-CD2 3.69Å; F155-L205 HydrophobicContact CZ-CG 4.22Å; F155-V206 CarbonylContact C-O 3.56Å; F155-V206 VanDerWaalsContact CA-O 3.29Å; F155-V206 WeakPolarHBondContact CA-O 3.48Å; F155-E207 HydrophobicContact CD2-CB 3.91Å; F155-E207 HydrophobicContact CD2-CG 3.99Å; F155-E207 HydrophobicContact CE2-CB 4.49Å; F155-V212 HydrophobicContact CE2-CG2 4.28Å; F155-K224 HydrophobicContact CE1-CB 3.86Å; F155-K224 HydrophobicContact CZ-CB 4.08Å; F155-Y225 HydrophobicContact CD1-CD1 4.02Å; F155-Y225 HydrophobicContact CD1-CE1 4.36Å; F155-Y225 HydrophobicContact CE1-CD1 4.03Å; F155-Y225 HydrophobicContact CE1-CE1 4.41Å; F155-A228 HydrophobicContact CB-CB 4.42Å; F155-A228 HydrophobicContact CD1-CB 3.57Å; F155-A228 HydrophobicContact CE1-CB 4.05Å; F155-A228 HydrophobicContact CG-CB 4.16Å
156	G	98.1	Very high	96.2	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	163.3	-159.9	176.9	0	0	0	0	0	115	G134 Y154 V206	G134-G156 WeakPolarHBondContact O-CA 3.45Å; Y154-G156 VanDerWaalsContact OH-C 3.27Å; Y154-G156 PolarHBondContact OH-O 2.86Å; G156-V206 PolarHBondContact N-O 3.38Å; G156-V206 PolarHBondContact O-N 3.48Å
157	I	97.9	Very high	95.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.091	C	C	.	.			trans	-97.3	139.5	-176.9	62.5	178.7	0	0	0	110.8	G134 K135 W136 Y154 Y159 N161 L203 L205 L216 A250	G134-I157 PolarHBondContact O-N 3.37Å; K135-I157 WeakPolarHBondContact CA-O 3.21Å; K135-I157 HydrophobicContact CB-CD1 4.36Å; K135-I157 HydrophobicContact CB-CG1 3.99Å; K135-I157 HydrophobicContact CG-CD1 4.5Å; K135-I157 HydrophobicContact CG-CG1 4.23Å; W136-I157 PolarHBondContact N-O 2.91Å; Y154-I157 PolarHBondContact OH-N 3.4Å; Y154-I157 PolarHBondContact OH-O 2.86Å; I157-Y159 VanDerWaalsContact C-N 3.29Å; I157-Y159 WeakPolarHBondContact CD1-O 3.41Å; I157-Y159 VanDerWaalsContact CG1-O 3.24Å; I157-Y159 WeakPolarHBondContact CG1-O 3.48Å; I157-Y159 PolarHBondContact O-N 3.28Å; I157-N161 HydrophobicContact CD1-CB 4.01Å; I157-L203 HydrophobicContact CG2-CD1 4.49Å; I157-L203 HydrophobicContact CG2-CG 4.39Å; I157-L205 HydrophobicContact CG2-CD1 4.49Å; I157-L216 HydrophobicContact CG2-CD2 3.67Å; I157-A250 HydrophobicContact CD1-CB 3.71Å
158	P	96.4	Very high	95.7	Very high	5 Å²	5	19.2 Å²	19.2	3%	0.032	11%	0.105	C	C	.	.	S	Bend	trans	-71.1	-23.2	-175.8	23.2	-31.6	0	0	0	113.9	H137 H140 P204 P512	H137-P158 WeakPolarHBondContact CA-O 3.41Å; H137-P158 PolarHBondContact N-O 3.5Å; H140-P158 HydrophobicContact CB-CB 3.44Å; H140-P158 VanDerWaalsContact CB-CB 3.44Å; P158-P204 HydrophobicContact CG-CG 3.75Å; P158-P512 HydrophobicContact CG-CG 4.26Å
159	Y	95.6	Very high	95.5	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.008	9%	0.09	C	C	.	.	S	Bend	trans	-152.2	179.6	-174.9	40.6	-112.6	0	0	0	109.7	V106 H140 I157 M163 L203 P204 P512	V106-Y159 HydrophobicContact CB-CD1 4.38Å; V106-Y159 HydrophobicContact CB-CE1 3.91Å; V106-Y159 HydrophobicContact CG1-CD1 4.2Å; V106-Y159 HydrophobicContact CG1-CD2 4.11Å; V106-Y159 HydrophobicContact CG1-CE1 3.96Å; V106-Y159 HydrophobicContact CG1-CE2 3.84Å; V106-Y159 HydrophobicContact CG1-CG 4.26Å; H140-Y159 AromaticContact ND1-CD1 3.9Å; I157-Y159 VanDerWaalsContact C-N 3.29Å; I157-Y159 WeakPolarHBondContact CD1-O 3.41Å; I157-Y159 VanDerWaalsContact CG1-O 3.24Å; I157-Y159 WeakPolarHBondContact CG1-O 3.48Å; I157-Y159 PolarHBondContact O-N 3.28Å; Y159-M163 HydrophobicContact CD2-CB 3.67Å; Y159-M163 HydrophobicContact CE2-CB 4.12Å; Y159-M163 WeakPolarHBondContact CE2-O 3.28Å; Y159-M163 HydrophobicContact CG-CB 4.38Å; Y159-L203 HydrophobicContact CD2-CD1 4.1Å; Y159-L203 HydrophobicContact CE2-CD1 3.73Å; Y159-P204 WeakPolarHBondContact OH-CD 3.22Å; Y159-P512 HydrophobicContact CE1-CG 3.91Å
160	S	95.2	Very high	95.3	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.014	9%	0.094	C	C	.	.			trans	-57.3	147.6	-178	-65.8	0	0	0	0	113.2	K135 H137 D162 M163	K135-S160 PolarHBondContact NZ-OG 2.81Å; K135-S160 VanDerWaalsContact NZ-OG 3.13Å; H137-S160 PolarHBondContact CE1-OG 3.48Å; S160-D162 WeakPolarHBondContact CB-OD1 3.43Å; S160-D162 PolarHBondContact O-N 3.14Å; S160-M163 VanDerWaalsContact O-CB 3.32Å; S160-M163 WeakPolarHBondContact O-CB 3.34Å; S160-M163 PolarHBondContact O-N 2.9Å
161	N	94.7	Very high	95.1	Very high	4 Å²	4	19 Å²	19	2%	0.021	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-67.6	-16.6	-176.7	51.7	-51.9	0	0	0	114.3	I157 M163 L203 L218 H253 V254 P255	I157-N161 HydrophobicContact CD1-CB 4.01Å; N161-M163 VanDerWaalsContact C-N 3.33Å; N161-L203 HydrophobicContact CB-CD2 3.86Å; N161-L218 HydrophobicContact CB-CD1 4.22Å; N161-H253 PolarHBondContact ND2-O 2.97Å; N161-V254 VanDerWaalsContact ND2-C 3.33Å; N161-V254 PolarHBondContact ND2-O 2.94Å; N161-P255 PolarHBondContact ND2-O 2.93Å
162	D	92.4	Very high	94.9	Very high	6 Å²	6	19.2 Å²	19.2	3%	0.032	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-80.9	-13.4	170.2	71.7	-46.1	0	0	0	113.3	S160 G164 C197 Y198 H253	S160-D162 WeakPolarHBondContact CB-OD1 3.43Å; S160-D162 PolarHBondContact O-N 3.14Å; D162-G164 PolarHBondContact O-N 2.85Å; D162-C197 VanDerWaalsContact O-CA 3.26Å; D162-C197 WeakPolarHBondContact O-CA 3.42Å; D162-C197 WeakPolarHBondContact O-CB 3.41Å; D162-Y198 PolarHBondContact O-N 3.13Å; D162-H253 IonicContact OD1-CE1 3.48Å; D162-H253 PolarHBondContact OD1-CE1 2.88Å; D162-H253 IonicContact OD1-ND1 3.09Å
163	M	92.6	Very high	94.5	Very high	17 Å²	17	19.1 Å²	19.1	8%	0.084	10%	0.104	C	C	.	.	G	3₁₀ helix	trans	-85.8	17.7	-179.3	-54.6	178.8	66.6	0	0	112.6	F104 V106 Y159 S160 N161 Y198	F104-M163 WeakPolarHBondContact O-CE 3.36Å; V106-M163 HydrophobicContact CG1-CB 3.63Å; V106-M163 HydrophobicContact CG1-CE 3.86Å; V106-M163 WeakPolarHBondContact CG1-O 3.37Å; Y159-M163 HydrophobicContact CD2-CB 3.67Å; Y159-M163 HydrophobicContact CE2-CB 4.12Å; Y159-M163 WeakPolarHBondContact CE2-O 3.28Å; Y159-M163 HydrophobicContact CG-CB 4.38Å; S160-M163 VanDerWaalsContact O-CB 3.32Å; S160-M163 WeakPolarHBondContact O-CB 3.34Å; S160-M163 PolarHBondContact O-N 2.9Å; N161-M163 VanDerWaalsContact C-N 3.33Å; M163-Y198 HydrophobicContact CB-CD1 4.4Å; M163-Y198 HydrophobicContact CB-CE1 4.43Å; M163-Y198 HydrophobicContact CG-CE1 4.37Å
164	G	90.4	Very high	94	Very high	2 Å²	2	20.5 Å²	20.5	2%	0.021	11%	0.114	C	C	.	.	S	Bend	trans	-156.8	158.9	167.6	0	0	0	0	0	110.2	D162 Y198 V201	D162-G164 PolarHBondContact O-N 2.85Å; G164-Y198 CarbonylContact C-O 3.52Å; G164-V201 CarbonylContact C-O 3.58Å; G164-V201 VanDerWaalsContact CA-O 3.23Å; G164-V201 WeakPolarHBondContact CA-O 3.3Å
165	C	91.4	Very high	93.6	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.014	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-83.1	158	172.4	69.5	0	0	0	0	110.3	C179 Y198 V201 L203 V520	C165-C179 HydrophobicContact CB-CB 4.07Å; C165-C179 WeakPolarHBondContact CB-SG 3.02Å; C165-C179 PolarHBondContact O-SG 2.65Å; C165-C179 WeakPolarHBondContact SG-CA 3.47Å; C165-C179 WeakPolarHBondContact SG-CB 3.47Å; C165-C179 CovalentContact SG-SG 2.05Å; C165-C179 PolarHBondContact SG-SG 2.81Å; C165-Y198 WeakPolarHBondContact CA-O 3.39Å; C165-Y198 WeakPolarHBondContact CB-O 3.42Å; C165-Y198 PolarHBondContact N-O 2.71Å; C165-Y198 VanDerWaalsContact N-O 3.12Å; C165-V201 PolarHBondContact N-O 2.82Å; C165-L203 PolarHBondContact O-N 2.73Å; C165-V520 WeakPolarHBondContact SG-CG1 2.8Å
166	T	93.1	Very high	93.1	Very high	8 Å²	8	24.5 Å²	24.5	5%	0.049	14%	0.143	C	C	.	.			trans	-125.1	160.6	165.7	64.7	0	0	0	0	109.4	T168 P169 P178 C179 L203 L216 L218	T166-T168 VanDerWaalsContact C-N 3.33Å; T166-T168 PolarHBondContact OG1-O 3.33Å; T166-P169 VanDerWaalsContact OG1-CA 3.27Å; T166-P169 WeakPolarHBondContact OG1-CA 3.28Å; T166-P178 WeakPolarHBondContact O-CA 3.35Å; T166-C179 VanDerWaalsContact C-SG 3.52Å; T166-C179 PolarHBondContact N-SG 3.15Å; T166-C179 VanDerWaalsContact N-SG 3.39Å; T166-C179 PolarHBondContact O-N 2.92Å; T166-L203 HydrophobicContact CG2-CB 4.27Å; T166-L203 HydrophobicContact CG2-CD2 4.27Å; T166-L216 WeakPolarHBondContact CB-O 3.44Å; T166-L216 VanDerWaalsContact CG2-O 3.24Å; T166-L216 WeakPolarHBondContact CG2-O 3.36Å; T166-L218 HydrophobicContact CG2-CB 4.33Å
167	D	92	Very high	92.6	Very high	69 Å²	69	29.1 Å²	29.1	37%	0.369	17%	0.167	S	C	.	.	S	Bend	trans	-70.7	-33.3	177.7	-73	-34	0	0	0	111.7	P169 C179	D167-P169 WeakPolarHBondContact O-CD 3.5Å; D167-C179 WeakPolarHBondContact OD1-CB 3.32Å
168	T	92.7	Very high	92.2	Very high	84 Å²	84	32.3 Å²	32.3	52%	0.515	19%	0.188	S	C	.	.	S	Bend	trans	-118.1	86.6	173	-46.6	0	0	0	0	108.4	T166 W219	T166-T168 VanDerWaalsContact C-N 3.33Å; T166-T168 PolarHBondContact OG1-O 3.33Å; T168-W219 PolarHBondContact O-NE1 3.05Å
169	P	92.5	Very high	91.8	Very high	30 Å²	30	32.7 Å²	32.7	20%	0.195	19%	0.191	C	C	.	.			trans	-61.7	148.4	-180	26	-33.6	0	0	0	111.2	T166 D167 C176 P178	T166-P169 VanDerWaalsContact OG1-CA 3.27Å; T166-P169 WeakPolarHBondContact OG1-CA 3.28Å; D167-P169 WeakPolarHBondContact O-CD 3.5Å; P169-C176 HydrophobicContact CB-CB 4.05Å; P169-C176 WeakPolarHBondContact CG-O 3.5Å; P169-P178 HydrophobicContact CG-CG 4.01Å
170	G	93.9	Very high	91	Very high	10 Å²	10	36.4 Å²	36.4	10%	0.103	21%	0.213	C	C	.	.			trans	-79.1	-173.5	170.5	0	0	0	0	0	112.4	L256	G170-L256 CarbonylContact C-O 3.39Å; G170-L256 WeakPolarHBondContact CA-O 3.42Å
171	Y	94.6	Very high	89.5	Confident	58 Å²	58	39.9 Å²	39.9	23%	0.227	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-76.3	123	174.8	-54.4	-77.1	0	0	0	110.9	W219 P255 L256 V260 P263 V268 F312	Y171-W219 HydrophobicContact CD2-CH2 4.49Å; Y171-W219 AromaticContact CE2-CH2 3.68Å; Y171-W219 HydrophobicContact CE2-CH2 3.68Å; Y171-W219 HydrophobicContact CE2-CZ3 4.29Å; Y171-P255 CarbonylContact O-C 3.6Å; Y171-P255 VanDerWaalsContact O-CA 3.24Å; Y171-P255 WeakPolarHBondContact O-CA 3.18Å; Y171-L256 VanDerWaalsContact CD2-O 3.28Å; Y171-L256 WeakPolarHBondContact CD2-O 3.43Å; Y171-L256 PolarHBondContact N-O 2.99Å; Y171-L256 PolarHBondContact O-N 2.76Å; Y171-V260 HydrophobicContact CE2-CG2 4.12Å; Y171-P263 HydrophobicContact CD1-CB 4.2Å; Y171-P263 HydrophobicContact CE1-CB 3.41Å; Y171-P263 VanDerWaalsContact CE1-CB 3.41Å; Y171-P263 HydrophobicContact CE1-CG 4.12Å; Y171-V268 HydrophobicContact CD1-CG2 4.3Å; Y171-V268 HydrophobicContact CD2-CB 4.38Å; Y171-V268 HydrophobicContact CD2-CG1 3.38Å; Y171-V268 HydrophobicContact CD2-CG2 4.01Å; Y171-V268 HydrophobicContact CE1-CG2 4.48Å; Y171-V268 HydrophobicContact CE2-CG1 4.13Å; Y171-V268 HydrophobicContact CE2-CG2 4.19Å; Y171-V268 HydrophobicContact CG-CG1 3.72Å; Y171-V268 HydrophobicContact CG-CG2 4.07Å; Y171-F312 HydrophobicContact CG-CE1 4.39Å
172	D	93.6	Very high	87.8	Confident	5 Å²	5	44 Å²	44	3%	0.027	27%	0.267	C	S	.	.			trans	-147.9	160.8	176	-168	10.1	0	0	0	109.7	P174 P175 C176 V254 P255 K309 F312	D172-P174 CarbonylContact C-O 3.46Å; D172-P174 CarbonylContact O-C 3.45Å; D172-P175 WeakPolarHBondContact O-CA 3.38Å; D172-C176 PolarHBondContact OD2-SG 2.8Å; D172-V254 HydrophobicContact CB-CB 4.31Å; D172-V254 WeakPolarHBondContact OD1-CB 3.4Å; D172-V254 VanDerWaalsContact OD1-CG2 3.27Å; D172-V254 WeakPolarHBondContact OD1-CG2 3.31Å; D172-P255 HydrophobicContact CB-CB 4.07Å; D172-P255 HydrophobicContact CB-CG 4.07Å; D172-K309 WeakPolarHBondContact OD1-CD 2.99Å; D172-K309 WeakPolarHBondContact OD1-CE 3.38Å; D172-K309 IonicContact OD1-NZ 3.93Å; D172-K309 PolarHBondContact OD1-NZ 2.97Å; D172-K309 IonicContact OD2-NZ 3.2Å; D172-K309 PolarHBondContact OD2-NZ 3.31Å; D172-F312 WeakPolarHBondContact O-CE2 3.36Å
173	L	90.4	Very high	86	Confident	61 Å²	61	51.4 Å²	51.4	32%	0.319	30%	0.301	S	S	.	.	S	Bend	trans	-126.3	117.7	171.6	-170.3	69	0	0	0	109.7	K309 C310 F312	L173-K309 WeakPolarHBondContact O-CD 3.35Å; L173-K309 PolarHBondContact O-NZ 2.81Å; L173-C310 HydrophobicContact CD2-CB 3.67Å; L173-C310 VanDerWaalsContact CD2-SG 3.59Å; L173-F312 HydrophobicContact CB-CD2 4.02Å; L173-F312 HydrophobicContact CB-CE2 4.24Å
174	P	89.3	Confident	84	Confident	43 Å²	43	55.8 Å²	55.8	28%	0.279	33%	0.331	S	S	.	.	S	Bend	cis	-63.2	155.9	-10.2	28.4	-34	0	0	0	112.2	D172 C176 V193	D172-P174 CarbonylContact C-O 3.46Å; D172-P174 CarbonylContact O-C 3.45Å; P174-C176 PolarHBondContact O-N 2.85Å; P174-V193 HydrophobicContact CB-CG2 3.89Å; P174-V193 HydrophobicContact CG-CG2 3.31Å
175	P	90.1	Very high	82	Confident	95 Å²	95	64.4 Å²	64.4	62%	0.617	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-57.6	138.2	-178.1	-26.3	34.8	0	0	0	113.2	D172	D172-P175 WeakPolarHBondContact O-CA 3.38Å
176	C	89	Confident	79.9	Confident	12 Å²	12	67.9 Å²	67.9	8%	0.081	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-79.5	137.5	175.2	-64.6	0	0	0	0	111.2	P169 D172 P174 C197 P255	P169-C176 HydrophobicContact CB-CB 4.05Å; P169-C176 WeakPolarHBondContact CG-O 3.5Å; D172-C176 PolarHBondContact OD2-SG 2.8Å; P174-C176 PolarHBondContact O-N 2.85Å; C176-C197 HydrophobicContact CB-CB 3.62Å; C176-C197 WeakPolarHBondContact CB-SG 3.32Å; C176-C197 WeakPolarHBondContact SG-CB 3.31Å; C176-C197 CovalentContact SG-SG 2.01Å; C176-C197 PolarHBondContact SG-SG 2.87Å; C176-P255 HydrophobicContact CB-CG 4.19Å
177	L	87.6	Confident	77.8	Confident	96 Å²	96	69.5 Å²	69.5	50%	0.503	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-84.4	145.6	177.7	-61.6	-179.9	0	0	0	110.1
178	P	89.6	Confident	75.5	Confident	67 Å²	67	73.8 Å²	73.8	44%	0.435	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-57.1	158.4	169.9	-23.9	33.6	0	0	0	112.4	T166 P169 V180	T166-P178 WeakPolarHBondContact O-CA 3.35Å; P169-P178 HydrophobicContact CG-CG 4.01Å; P178-V180 PolarHBondContact O-N 3.42Å
179	C	87.2	Confident	73.4	Confident	14 Å²	14	73.7 Å²	73.7	10%	0.095	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-56.9	130.1	172.5	-74.4	0	0	0	0	113	C165 T166 D167 P215 V520	C165-C179 HydrophobicContact CB-CB 4.07Å; C165-C179 WeakPolarHBondContact CB-SG 3.02Å; C165-C179 PolarHBondContact O-SG 2.65Å; C165-C179 WeakPolarHBondContact SG-CA 3.47Å; C165-C179 WeakPolarHBondContact SG-CB 3.47Å; C165-C179 CovalentContact SG-SG 2.05Å; C165-C179 PolarHBondContact SG-SG 2.81Å; T166-C179 VanDerWaalsContact C-SG 3.52Å; T166-C179 PolarHBondContact N-SG 3.15Å; T166-C179 VanDerWaalsContact N-SG 3.39Å; T166-C179 PolarHBondContact O-N 2.92Å; D167-C179 WeakPolarHBondContact OD1-CB 3.32Å; C179-P215 HydrophobicContact CB-CG 4.49Å; C179-V520 HydrophobicContact CB-CG1 3.77Å; C179-V520 WeakPolarHBondContact SG-CG1 3.49Å
180	V	78.3	Confident	71.3	Confident	79 Å²	79	81.1 Å²	81.1	48%	0.479	43%	0.429	S	S	.	.	P	Polyproline II helix	trans	-84.5	125.5	-179.4	-175.8	0	0	0	0	110.5	P178 V520	P178-V180 PolarHBondContact O-N 3.42Å; V180-V520 WeakPolarHBondContact O-CG2 3.48Å
181	S	64.6	Low	69.3	Low	75 Å²	75	86.1 Å²	86.1	52%	0.524	44%	0.444	S	S	.	.			trans	-96.2	-6.7	-173.6	57.2	0	0	0	0	115.5
182	S	58.9	Low	67.2	Low	92 Å²	92	85.4 Å²	85.4	64%	0.643	45%	0.448	S	S	*	.	S	Bend	trans	-106.9	5.7	-155.7	60.9	0	0	0	0	118.2
183	E	53.4	Low	65.1	Low	160 Å²	160	88.3 Å²	88.3	75%	0.748	47%	0.466	S	S	*	.			trans	-139.7	128	172.7	-69.3	-159.6	175.6	0	0	114.3
184	P	51.6	Low	63.3	Low	109 Å²	109	91.4 Å²	91.4	71%	0.708	49%	0.489	S	S	*	.			trans	-79.5	122.5	165.9	31	-27.9	0	0	0	110.1
185	Q	49.1	Very low	61.7	Low	184 Å²	184	90.2 Å²	90.2	86%	0.86	49%	0.485	S	S	*	.			trans	117	141	148.7	-55.8	-148.9	-9.1	0	0	119.1
186	V	46.1	Very low	60.4	Low	74 Å²	74	85.8 Å²	85.8	45%	0.448	46%	0.457	S	S	.	.			trans	75.5	109.4	-175.4	-153.8	0	0	0	0	114.3	R188 E508	V186-R188 HydrophobicContact CB-CG 3.95Å; V186-R188 HydrophobicContact CG1-CG 3.48Å; V186-R188 VanDerWaalsContact CG1-CG 3.48Å; V186-R188 PolarHBondContact O-N 3.24Å; V186-E508 WeakPolarHBondContact CG1-OE2 3.49Å
187	I	48.7	Very low	59.8	Low	42 Å²	42	85.4 Å²	85.4	22%	0.215	45%	0.454	C	S	.	.			trans	-67.1	69.5	166.8	-60.2	171.4	0	0	0	107.2	V201 E508 A511	I187-V201 HydrophobicContact CG2-CG2 3.49Å; I187-V201 VanDerWaalsContact CG2-CG2 3.49Å; I187-E508 HydrophobicContact CB-CB 4.48Å; I187-E508 VanDerWaalsContact O-CD 3.22Å; I187-A511 HydrophobicContact CD1-CB 4.27Å; I187-A511 HydrophobicContact CG2-CB 4.17Å
188	R	43.8	Very low	59.4	Low	160 Å²	160	82 Å²	82	60%	0.604	44%	0.435	S	S	*	.			trans	-81.8	123.3	172.2	-70.1	-167.5	171.6	178.5	-2	108	V186 R190 K200	V186-R188 HydrophobicContact CB-CG 3.95Å; V186-R188 HydrophobicContact CG1-CG 3.48Å; V186-R188 VanDerWaalsContact CG1-CG 3.48Å; V186-R188 PolarHBondContact O-N 3.24Å; R188-R190 PolarHBondContact O-N 3.48Å; R188-K200 WeakPolarHBondContact O-CD 3.06Å
189	Q	49.3	Very low	58.4	Low	81 Å²	81	79.6 Å²	79.6	38%	0.379	42%	0.419	S	S	.	.			trans	-62.9	107.1	163.7	-68.9	-175.1	-4.5	0	0	108.4	N107 Y198	N107-Q189 PolarHBondContact ND2-NE2 3.14Å; N107-Q189 PolarHBondContact OD1-NE2 3.44Å; Q189-Y198 HydrophobicContact CG-CE2 3.98Å
190	R	47.8	Very low	57.6	Low	187 Å²	187	83.5 Å²	83.5	71%	0.706	43%	0.434	S	S	*	.			trans	-130.1	112.4	157.9	-103.8	-174.2	175	-177	-2	106.6	R188 S199	R188-R190 PolarHBondContact O-N 3.48Å; R190-S199 PolarHBondContact O-OG 3.21Å
191	R	51.9	Low	57.7	Low	115 Å²	115	80.1 Å²	80.1	43%	0.434	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-58.3	140.7	156.2	-66.9	-176.2	163.9	168.6	-8.4	107.3	V193 G196 Y198	R191-V193 WeakPolarHBondContact CB-O 3.25Å; R191-V193 PolarHBondContact O-N 2.85Å; R191-G196 VanDerWaalsContact CD-O 3.3Å; R191-G196 WeakPolarHBondContact CD-O 3.49Å; R191-G196 VanDerWaalsContact CG-O 3.32Å; R191-G196 WeakPolarHBondContact CG-O 3.42Å; R191-Y198 HydrophobicContact CG-CD1 4.25Å; R191-Y198 HydrophobicContact CG-CE1 4.22Å
192	S	51.3	Low	59	Low	43 Å²	43	76.6 Å²	76.6	30%	0.301	39%	0.389	S	S	.	.	S	Bend	trans	-58.2	-33.2	177.6	-53.2	0	0	0	0	111	C197	S192-C197 PolarHBondContact N-O 2.63Å
193	V	48.6	Very low	60.6	Low	66 Å²	66	72.2 Å²	72.2	40%	0.4	36%	0.359	S	S	.	.	S	Bend	trans	-151.8	156.8	175.5	-73.1	0	0	0	0	109.3	P174 R191 G195 G196	P174-V193 HydrophobicContact CB-CG2 3.89Å; P174-V193 HydrophobicContact CG-CG2 3.31Å; R191-V193 WeakPolarHBondContact CB-O 3.25Å; R191-V193 PolarHBondContact O-N 2.85Å; V193-G195 PolarHBondContact O-N 2.87Å; V193-G196 PolarHBondContact O-N 2.89Å
194	P	53	Low	62.7	Low	125 Å²	125	64.6 Å²	64.6	81%	0.812	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.6	131.5	168.4	-25	34.7	0	0	0	110.8	G196	P194-G196 VanDerWaalsContact C-N 3.27Å; P194-G196 PolarHBondContact O-N 3.44Å
195	G	56.4	Low	64.8	Low	19 Å²	19	59.5 Å²	59.5	20%	0.196	29%	0.29	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	-2.7	-176.3	0	0	0	0	0	116.6	V193 K309	V193-G195 PolarHBondContact O-N 2.87Å; G195-K309 PolarHBondContact O-NZ 2.79Å
196	G	61.4	Low	67.1	Low	2 Å²	2	51.5 Å²	51.5	2%	0.021	25%	0.254	C	S	.	.	S	Bend	trans	-96.1	170.4	178.8	0	0	0	0	0	115	R191 V193 P194	R191-G196 VanDerWaalsContact CD-O 3.3Å; R191-G196 WeakPolarHBondContact CD-O 3.49Å; R191-G196 VanDerWaalsContact CG-O 3.32Å; R191-G196 WeakPolarHBondContact CG-O 3.42Å; V193-G196 PolarHBondContact O-N 2.89Å; P194-G196 VanDerWaalsContact C-N 3.27Å; P194-G196 PolarHBondContact O-N 3.44Å
197	C	77.4	Confident	69.6	Low	4 Å²	4	50.8 Å²	50.8	3%	0.027	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-60.6	159	179.2	-68	0	0	0	0	114.5	D162 C176 S192 P255	D162-C197 VanDerWaalsContact O-CA 3.26Å; D162-C197 WeakPolarHBondContact O-CA 3.42Å; D162-C197 WeakPolarHBondContact O-CB 3.41Å; C176-C197 HydrophobicContact CB-CB 3.62Å; C176-C197 WeakPolarHBondContact CB-SG 3.32Å; C176-C197 WeakPolarHBondContact SG-CB 3.31Å; C176-C197 CovalentContact SG-SG 2.01Å; C176-C197 PolarHBondContact SG-SG 2.87Å; S192-C197 PolarHBondContact N-O 2.63Å; C197-P255 WeakPolarHBondContact SG-CG 3.46Å
198	Y	79.3	Confident	71.9	Confident	25 Å²	25	51.2 Å²	51.2	10%	0.098	25%	0.248	C	C	.	.	B	Isolated β-bridge	trans	-72.7	135.8	169.8	-75	50.4	0	0	0	109.6	V106 D162 M163 G164 C165 Q189 R191	V106-Y198 HydrophobicContact CG1-CD2 4.13Å; V106-Y198 HydrophobicContact CG1-CE2 3.92Å; V106-Y198 HydrophobicContact CG2-CD2 4.13Å; V106-Y198 HydrophobicContact CG2-CE2 3.71Å; D162-Y198 PolarHBondContact O-N 3.13Å; M163-Y198 HydrophobicContact CB-CD1 4.4Å; M163-Y198 HydrophobicContact CB-CE1 4.43Å; M163-Y198 HydrophobicContact CG-CE1 4.37Å; G164-Y198 CarbonylContact C-O 3.52Å; C165-Y198 WeakPolarHBondContact CA-O 3.39Å; C165-Y198 WeakPolarHBondContact CB-O 3.42Å; C165-Y198 PolarHBondContact N-O 2.71Å; C165-Y198 VanDerWaalsContact N-O 3.12Å; Q189-Y198 HydrophobicContact CG-CE2 3.98Å; R191-Y198 HydrophobicContact CG-CD1 4.25Å; R191-Y198 HydrophobicContact CG-CE1 4.22Å
199	S	67.9	Low	74.2	Confident	15 Å²	15	48.9 Å²	48.9	11%	0.105	26%	0.256	C	S	.	.	S	Bend	trans	-108.9	-10.4	-172.7	55.7	0	0	0	0	115.2	R190	R190-S199 PolarHBondContact O-OG 3.21Å
200	K	70.2	Confident	76.4	Confident	96 Å²	96	48.3 Å²	48.3	42%	0.417	26%	0.261	S	S	.	.	S	Bend	trans	-116	-7	-167.3	-65.8	-166.3	171.4	-164.5	0	115.6	R188	R188-K200 WeakPolarHBondContact O-CD 3.06Å
201	V	80.4	Confident	78.6	Confident	9 Å²	9	41.8 Å²	41.8	6%	0.055	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-123.7	124	174.8	-179.9	0	0	0	0	107.4	G164 C165 I187	G164-V201 CarbonylContact C-O 3.58Å; G164-V201 VanDerWaalsContact CA-O 3.23Å; G164-V201 WeakPolarHBondContact CA-O 3.3Å; C165-V201 PolarHBondContact N-O 2.82Å; I187-V201 HydrophobicContact CG2-CG2 3.49Å; I187-V201 VanDerWaalsContact CG2-CG2 3.49Å
202	G	91.6	Very high	80.7	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-69.3	133.4	175.8	0	0	0	0	0	108.9	P204 Q214 V520	G202-P204 VanDerWaalsContact O-CD 3.27Å; G202-P204 WeakPolarHBondContact O-CD 3.32Å; G202-Q214 WeakPolarHBondContact O-CG 3.22Å; G202-Q214 PolarHBondContact O-NE2 3Å; G202-V520 WeakPolarHBondContact CA-O 3.02Å; G202-V520 PolarHBondContact N-O 3.45Å
203	L	94.2	Very high	82.9	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.233	C	C	.	.	P	Polyproline II helix	trans	-62.8	120.3	176.8	-177.4	65.1	0	0	0	109.2	I157 Y159 N161 C165 T166 P215 L216	I157-L203 HydrophobicContact CG2-CD1 4.49Å; I157-L203 HydrophobicContact CG2-CG 4.39Å; Y159-L203 HydrophobicContact CD2-CD1 4.1Å; Y159-L203 HydrophobicContact CE2-CD1 3.73Å; N161-L203 HydrophobicContact CB-CD2 3.86Å; C165-L203 PolarHBondContact O-N 2.73Å; T166-L203 HydrophobicContact CG2-CB 4.27Å; T166-L203 HydrophobicContact CG2-CD2 4.27Å; L203-P215 CarbonylContact O-C 3.4Å; L203-L216 HydrophobicContact CB-CB 4.35Å; L203-L216 HydrophobicContact CD2-CB 4.32Å; L203-L216 HydrophobicContact CD2-CD2 3.74Å; L203-L216 HydrophobicContact CG-CB 4.28Å; L203-L216 HydrophobicContact CG-CD2 4.21Å; L203-L216 WeakPolarHBondContact O-CB 3.49Å; L203-L216 PolarHBondContact O-N 3.02Å
204	P	95.8	Very high	85	Confident	0 Å²	0	36 Å²	36	0%	0	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-87.7	144.8	179.5	35.4	-36.3	0	0	0	111.5	P158 Y159 G202 V206 I211 E213 Q214 P512	P158-P204 HydrophobicContact CG-CG 3.75Å; Y159-P204 WeakPolarHBondContact OH-CD 3.22Å; G202-P204 VanDerWaalsContact O-CD 3.27Å; G202-P204 WeakPolarHBondContact O-CD 3.32Å; P204-V206 HydrophobicContact CB-CG2 4.47Å; P204-I211 HydrophobicContact CB-CD1 4.32Å; P204-I211 HydrophobicContact CB-CG1 4.24Å; P204-I211 HydrophobicContact CB-CG2 3.94Å; P204-E213 CarbonylContact C-O 3.4Å; P204-E213 WeakPolarHBondContact CA-O 3.26Å; P204-Q214 HydrophobicContact CB-CG 4.2Å; P204-P512 HydrophobicContact CG-CB 3.95Å; P204-P512 HydrophobicContact CG-CG 4.23Å
205	L	97.4	Very high	87	Confident	2 Å²	2	30.3 Å²	30.3	1%	0.01	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129.4	158.6	-171.6	62.2	0	0	0	108.7	F155 I157 I211 V212 E213 L216 L221 K224 Y225	F155-L205 HydrophobicContact CE2-CD2 3.97Å; F155-L205 HydrophobicContact CE2-CG 4.17Å; F155-L205 HydrophobicContact CZ-CD1 4.32Å; F155-L205 HydrophobicContact CZ-CD2 3.69Å; F155-L205 HydrophobicContact CZ-CG 4.22Å; I157-L205 HydrophobicContact CG2-CD1 4.49Å; L205-I211 CarbonylContact O-C 3.29Å; L205-I211 WeakPolarHBondContact O-CA 3.31Å; L205-V212 HydrophobicContact CB-CG2 4.13Å; L205-V212 HydrophobicContact CD2-CG2 4.05Å; L205-V212 HydrophobicContact CG-CG2 3.89Å; L205-V212 WeakPolarHBondContact O-CG2 3.42Å; L205-V212 PolarHBondContact O-N 3.23Å; L205-E213 HydrophobicContact CB-CB 3.92Å; L205-E213 HydrophobicContact CD2-CB 4.39Å; L205-E213 WeakPolarHBondContact CD2-OE2 3.27Å; L205-E213 PolarHBondContact N-O 2.01Å; L205-E213 PolarHBondContact O-N 3.34Å; L205-L216 HydrophobicContact CB-CD1 4.05Å; L205-L216 HydrophobicContact CD1-CD1 4.44Å; L205-L216 HydrophobicContact CD2-CD1 4.06Å; L205-L216 HydrophobicContact CG-CD1 4.42Å; L205-L221 HydrophobicContact CD1-CD1 4.02Å; L205-K224 HydrophobicContact CD2-CD 4.02Å; L205-Y225 HydrophobicContact CD1-CE1 4.24Å
206	V	97.3	Very high	88.8	Confident	17 Å²	17	29.5 Å²	29.5	10%	0.103	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	133.1	-175.8	-178.2	0	0	0	0	109.6	Y154 F155 G156 P204 N208 S210 I211	Y154-V206 HydrophobicContact CD1-CB 4.38Å; Y154-V206 HydrophobicContact CD1-CG1 4.01Å; Y154-V206 HydrophobicContact CE1-CB 3.76Å; Y154-V206 HydrophobicContact CE1-CG1 3.78Å; F155-V206 CarbonylContact C-O 3.56Å; F155-V206 VanDerWaalsContact CA-O 3.29Å; F155-V206 WeakPolarHBondContact CA-O 3.48Å; G156-V206 PolarHBondContact N-O 3.38Å; G156-V206 PolarHBondContact O-N 3.48Å; P204-V206 HydrophobicContact CB-CG2 4.47Å; V206-N208 WeakPolarHBondContact CG1-O 3.18Å; V206-S210 CarbonylContact C-O 3.57Å; V206-S210 WeakPolarHBondContact CA-O 3.16Å; V206-I211 HydrophobicContact CG2-CG1 4.24Å
207	E	97.8	Very high	90.4	Very high	59 Å²	59	32.9 Å²	32.9	28%	0.276	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	114.3	163.3	-166.7	171.8	-163.8	0	0	108.2	Y153 Y154 F155 S209 S210 V212 R231	Y153-E207 HydrophobicContact CE2-CG 4.07Å; Y153-E207 PolarHBondContact OH-OE1 3Å; Y154-E207 CarbonylContact O-C 3.54Å; Y154-E207 WeakPolarHBondContact O-CA 3.08Å; F155-E207 HydrophobicContact CD2-CB 3.91Å; F155-E207 HydrophobicContact CD2-CG 3.99Å; F155-E207 HydrophobicContact CE2-CB 4.49Å; E207-S209 PolarHBondContact O-N 2.94Å; E207-S210 PolarHBondContact N-O 2.86Å; E207-S210 PolarHBondContact O-N 3.04Å; E207-V212 HydrophobicContact CB-CG1 3.67Å; E207-V212 HydrophobicContact CB-CG2 4.39Å; E207-R231 IonicContact OE1-NH1 2.87Å; E207-R231 IonicContact OE1-NH2 3.28Å
208	N	96.6	Very high	91.2	Very high	51 Å²	51	33.1 Å²	33.1	27%	0.273	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	-103.5	-169.4	-58.7	-49.7	0	0	0	112.9	N147 Y153 Y154 V206	N147-N208 PolarHBondContact ND2-OD1 3.27Å; N147-N208 VanDerWaalsContact ND2-OD1 3.11Å; N147-N208 WeakPolarHBondContact OD1-CA 3Å; N147-N208 PolarHBondContact OD1-O 3.2Å; Y153-N208 WeakPolarHBondContact CA-OD1 3.35Å; Y154-N208 PolarHBondContact N-OD1 3.29Å; Y154-N208 PolarHBondContact O-N 2.99Å; V206-N208 WeakPolarHBondContact CG1-O 3.18Å
209	S	92.3	Very high	92	Very high	110 Å²	110	36.1 Å²	36.1	77%	0.769	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-104.2	-2	179.3	58.4	0	0	0	0	113.8	E207	E207-S209 PolarHBondContact O-N 2.94Å
210	S	95	Very high	93.3	Very high	70 Å²	70	36.8 Å²	36.8	49%	0.49	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131	-170.6	-63.3	0	0	0	0	111.1	V206 E207 V212	V206-S210 CarbonylContact C-O 3.57Å; V206-S210 WeakPolarHBondContact CA-O 3.16Å; E207-S210 PolarHBondContact N-O 2.86Å; E207-S210 PolarHBondContact O-N 3.04Å; S210-V212 PolarHBondContact O-N 3.33Å
211	I	95.9	Very high	94.5	Very high	50 Å²	50	32.3 Å²	32.3	26%	0.256	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	114.2	168.9	-61.2	170.8	0	0	0	107.4	P204 L205 V206 Q214 P512 C514	P204-I211 HydrophobicContact CB-CD1 4.32Å; P204-I211 HydrophobicContact CB-CG1 4.24Å; P204-I211 HydrophobicContact CB-CG2 3.94Å; L205-I211 CarbonylContact O-C 3.29Å; L205-I211 WeakPolarHBondContact O-CA 3.31Å; V206-I211 HydrophobicContact CG2-CG1 4.24Å; I211-Q214 HydrophobicContact CG2-CB 3.81Å; I211-P512 HydrophobicContact CD1-CB 3.99Å; I211-C514 HydrophobicContact CB-CB 4.22Å; I211-C514 HydrophobicContact CD1-CB 4.29Å; I211-C514 HydrophobicContact CG2-CB 4.04Å
212	V	95.9	Very high	95.1	Very high	72 Å²	72	32.6 Å²	32.6	44%	0.436	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	-18.4	-178.2	-65.6	0	0	0	0	112.6	F155 L205 E207 S210	F155-V212 HydrophobicContact CE2-CG2 4.28Å; L205-V212 HydrophobicContact CB-CG2 4.13Å; L205-V212 HydrophobicContact CD2-CG2 4.05Å; L205-V212 HydrophobicContact CG-CG2 3.89Å; L205-V212 WeakPolarHBondContact O-CG2 3.42Å; L205-V212 PolarHBondContact O-N 3.23Å; E207-V212 HydrophobicContact CB-CG1 3.67Å; E207-V212 HydrophobicContact CB-CG2 4.39Å; S210-V212 PolarHBondContact O-N 3.33Å
213	E	95.6	Very high	95.3	Very high	30 Å²	30	36.4 Å²	36.4	14%	0.14	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	131.8	177.5	-171.7	-178.1	-179.3	0	0	109.7	P204 L205 N217 K224	P204-E213 CarbonylContact C-O 3.4Å; P204-E213 WeakPolarHBondContact CA-O 3.26Å; L205-E213 HydrophobicContact CB-CB 3.92Å; L205-E213 HydrophobicContact CD2-CB 4.39Å; L205-E213 WeakPolarHBondContact CD2-OE2 3.27Å; L205-E213 PolarHBondContact N-O 2.01Å; L205-E213 PolarHBondContact O-N 3.34Å; E213-N217 WeakPolarHBondContact OE1-CB 3.46Å; E213-N217 PolarHBondContact OE1-N 3.11Å; E213-K224 IonicContact OE1-NZ 2.81Å; E213-K224 PolarHBondContact OE1-NZ 3.22Å; E213-K224 IonicContact OE2-NZ 2.92Å; E213-K224 PolarHBondContact OE2-NZ 2.96Å
214	Q	94.2	Very high	95.5	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	22%	0.216	C	C	.	.	S	Bend	trans	-157.6	126.9	173.3	-165.8	174.5	17.1	0	0	105.9	G202 P204 I211 P512 C521 R522 C523	G202-Q214 WeakPolarHBondContact O-CG 3.22Å; G202-Q214 PolarHBondContact O-NE2 3Å; P204-Q214 HydrophobicContact CB-CG 4.2Å; I211-Q214 HydrophobicContact CG2-CB 3.81Å; Q214-P512 PolarHBondContact NE2-O 3.09Å; Q214-C521 WeakPolarHBondContact CB-O 3.48Å; Q214-C521 VanDerWaalsContact CD-CB 3.46Å; Q214-C521 HydrophobicContact CG-CB 4.32Å; Q214-C521 WeakPolarHBondContact CG-O 3.19Å; Q214-C521 PolarHBondContact OE1-O 2.85Å; Q214-C521 VanDerWaalsContact OE1-O 3.05Å; Q214-R522 WeakPolarHBondContact O-CA 3.45Å; Q214-C523 PolarHBondContact O-N 3.02Å
215	P	93.6	Very high	95.6	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.032	22%	0.216	C	C	.	.	S	Bend	cis	-69.3	147.2	-9.5	-5	27.9	0	0	0	109.5	C179 L203 V520 R522	C179-P215 HydrophobicContact CB-CG 4.49Å; L203-P215 CarbonylContact O-C 3.4Å; P215-V520 HydrophobicContact CG-CG1 4.33Å; P215-R522 VanDerWaalsContact CD-CG 3.44Å; P215-R522 HydrophobicContact CG-CG 3.67Å
216	L	94.9	Very high	95.7	Very high	2 Å²	2	43.6 Å²	43.6	1%	0.01	23%	0.233	C	C	.	.			trans	-63.2	133.9	178.3	168.2	62.8	0	0	0	111.6	I157 T166 L203 L205 L218 L221	I157-L216 HydrophobicContact CG2-CD2 3.67Å; T166-L216 WeakPolarHBondContact CB-O 3.44Å; T166-L216 VanDerWaalsContact CG2-O 3.24Å; T166-L216 WeakPolarHBondContact CG2-O 3.36Å; L203-L216 HydrophobicContact CB-CB 4.35Å; L203-L216 HydrophobicContact CD2-CB 4.32Å; L203-L216 HydrophobicContact CD2-CD2 3.74Å; L203-L216 HydrophobicContact CG-CB 4.28Å; L203-L216 HydrophobicContact CG-CD2 4.21Å; L203-L216 WeakPolarHBondContact O-CB 3.49Å; L203-L216 PolarHBondContact O-N 3.02Å; L205-L216 HydrophobicContact CB-CD1 4.05Å; L205-L216 HydrophobicContact CD1-CD1 4.44Å; L205-L216 HydrophobicContact CD2-CD1 4.06Å; L205-L216 HydrophobicContact CG-CD1 4.42Å; L216-L218 PolarHBondContact O-N 3.38Å; L216-L218 VanDerWaalsContact O-N 3.15Å; L216-L221 HydrophobicContact CD1-CD1 3.95Å; L216-L221 HydrophobicContact CD2-CD1 3.86Å; L216-L221 HydrophobicContact CD2-CD2 3.91Å; L216-L221 HydrophobicContact CD2-CG 4.38Å
217	N	95.1	Very high	95.7	Very high	72 Å²	72	45.9 Å²	45.9	39%	0.385	25%	0.249	S	C	.	.			trans	-74.6	96.1	160.1	-178.9	3.4	0	0	0	110.1	E213 W219 A220	E213-N217 WeakPolarHBondContact OE1-CB 3.46Å; E213-N217 PolarHBondContact OE1-N 3.11Å; N217-W219 VanDerWaalsContact C-N 3.29Å; N217-W219 PolarHBondContact O-N 2.8Å; N217-W219 PolarHBondContact OD1-N 3.23Å; N217-A220 PolarHBondContact O-N 2.9Å
218	L	94.6	Very high	95.7	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.052	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-60	-35.6	-177.6	-172.3	60.9	0	0	0	113.2	N161 T166 L216 A220 L221 P255 A257	N161-L218 HydrophobicContact CB-CD1 4.22Å; T166-L218 HydrophobicContact CG2-CB 4.33Å; L216-L218 PolarHBondContact O-N 3.38Å; L216-L218 VanDerWaalsContact O-N 3.15Å; L218-A220 PolarHBondContact O-N 3.1Å; L218-L221 HydrophobicContact CD1-CD2 3.97Å; L218-L221 WeakPolarHBondContact O-CB 3.46Å; L218-L221 PolarHBondContact O-N 2.99Å; L218-L221 VanDerWaalsContact O-N 3.08Å; L218-P255 HydrophobicContact CD2-CB 4.13Å; L218-A257 HydrophobicContact CB-CB 4.25Å; L218-A257 HydrophobicContact CD2-CB 3.91Å; L218-A257 HydrophobicContact CG-CB 3.68Å
219	W	95.5	Very high	95.8	Very high	88 Å²	88	40.8 Å²	40.8	33%	0.333	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-68.6	-17.6	-176.8	-60.4	80.2	0	0	0	113.7	T168 Y171 N217 A257 P258	T168-W219 PolarHBondContact O-NE1 3.05Å; Y171-W219 HydrophobicContact CD2-CH2 4.49Å; Y171-W219 AromaticContact CE2-CH2 3.68Å; Y171-W219 HydrophobicContact CE2-CH2 3.68Å; Y171-W219 HydrophobicContact CE2-CZ3 4.29Å; N217-W219 VanDerWaalsContact C-N 3.29Å; N217-W219 PolarHBondContact O-N 2.8Å; N217-W219 PolarHBondContact OD1-N 3.23Å; W219-A257 HydrophobicContact CD2-CB 3.79Å; W219-A257 HydrophobicContact CE3-CB 4.11Å; W219-A257 HydrophobicContact CG-CB 4.01Å; W219-P258 VanDerWaalsContact CZ3-O 3.29Å; W219-P258 WeakPolarHBondContact CZ3-O 3.29Å
220	A	95.2	Very high	96.1	Very high	29 Å²	29	37.5 Å²	37.5	24%	0.24	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-101.6	0.3	176.3	0	0	0	0	0	112.8	N217 L218 E223 K224	N217-A220 PolarHBondContact O-N 2.9Å; L218-A220 PolarHBondContact O-N 3.1Å; A220-E223 PolarHBondContact O-N 3.09Å; A220-K224 HydrophobicContact CB-CD 4.38Å; A220-K224 VanDerWaalsContact O-CG 3.29Å; A220-K224 WeakPolarHBondContact O-CG 3.49Å; A220-K224 PolarHBondContact O-N 3.35Å
221	L	95.3	Very high	96.3	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.005	20%	0.195	C	C	.	.	H	α-helix	trans	-67.2	-43.1	-167.5	-172.2	60.4	0	0	0	112.6	L205 L216 L218 E223 K224 Y225 A250	L205-L221 HydrophobicContact CD1-CD1 4.02Å; L216-L221 HydrophobicContact CD1-CD1 3.95Å; L216-L221 HydrophobicContact CD2-CD1 3.86Å; L216-L221 HydrophobicContact CD2-CD2 3.91Å; L216-L221 HydrophobicContact CD2-CG 4.38Å; L218-L221 HydrophobicContact CD1-CD2 3.97Å; L218-L221 WeakPolarHBondContact O-CB 3.46Å; L218-L221 PolarHBondContact O-N 2.99Å; L218-L221 VanDerWaalsContact O-N 3.08Å; L221-E223 VanDerWaalsContact C-N 3.3Å; L221-E223 PolarHBondContact O-N 3.01Å; L221-K224 PolarHBondContact O-N 3.32Å; L221-Y225 HydrophobicContact CD1-CD1 4.04Å; L221-Y225 HydrophobicContact CD1-CE1 3.39Å; L221-Y225 HydrophobicContact CD1-CE2 3.95Å; L221-Y225 HydrophobicContact CD2-CE2 3.85Å; L221-Y225 HydrophobicContact CG-CD1 4.5Å; L221-Y225 HydrophobicContact CG-CD2 4.13Å; L221-Y225 HydrophobicContact CG-CE1 4.03Å; L221-Y225 HydrophobicContact CG-CE2 3.62Å; L221-Y225 PolarHBondContact O-N 3.31Å; L221-A250 HydrophobicContact CD2-CB 4.05Å
222	T	94.3	Very high	96.4	Very high	15 Å²	15	37.4 Å²	37.4	9%	0.092	18%	0.184	C	C	.	.	H	α-helix	trans	-55.9	-47.2	177.9	-40.1	0	0	0	0	111	Y225 R226 H251 E275	T222-Y225 PolarHBondContact O-N 3.49Å; T222-R226 WeakPolarHBondContact O-CB 3.48Å; T222-R226 PolarHBondContact O-N 3.48Å; T222-H251 PolarHBondContact OG1-CE1 3.29Å; T222-H251 PolarHBondContact OG1-NE2 2.91Å; T222-E275 HydrophobicContact CG2-CB 4.21Å; T222-E275 PolarHBondContact OG1-OE2 3.47Å
223	E	95.9	Very high	96.5	Very high	81 Å²	81	34 Å²	34	38%	0.379	16%	0.163	S	C	.	.	H	α-helix	trans	-67.6	-40.4	-179	-175.6	52.8	-139.2	0	0	112.1	A220 L221 Y225 R226 S227	A220-E223 PolarHBondContact O-N 3.09Å; L221-E223 VanDerWaalsContact C-N 3.3Å; L221-E223 PolarHBondContact O-N 3.01Å; E223-Y225 VanDerWaalsContact C-N 3.34Å; E223-Y225 PolarHBondContact O-N 3.17Å; E223-R226 PolarHBondContact O-N 3.42Å; E223-R226 IonicContact OE1-CZ 3.65Å; E223-R226 VanDerWaalsContact OE1-CZ 3.3Å; E223-R226 IonicContact OE1-NE 2.92Å; E223-R226 PolarHBondContact OE1-NE 2.66Å; E223-R226 IonicContact OE1-NH2 3.4Å; E223-R226 PolarHBondContact OE1-NH2 3.31Å; E223-R226 IonicContact OE2-CZ 2.8Å; E223-R226 IonicContact OE2-NE 3.19Å; E223-R226 PolarHBondContact OE2-NE 3.16Å; E223-R226 IonicContact OE2-NH1 2.77Å; E223-R226 IonicContact OE2-NH2 3.47Å; E223-R226 PolarHBondContact OE2-NH2 2.92Å; E223-S227 WeakPolarHBondContact O-CB 3.38Å; E223-S227 PolarHBondContact O-N 3.05Å; E223-S227 PolarHBondContact O-OG 3.48Å; E223-S227 PolarHBondContact OE1-OG 2.85Å
224	K	97.6	Very high	96.6	Very high	56 Å²	56	36.3 Å²	36.3	24%	0.243	17%	0.174	C	C	.	.	H	α-helix	trans	-60.7	-44	174.7	-72.7	171	-179	169.4	0	111	F155 L205 E213 A220 L221 A228	F155-K224 HydrophobicContact CE1-CB 3.86Å; F155-K224 HydrophobicContact CZ-CB 4.08Å; L205-K224 HydrophobicContact CD2-CD 4.02Å; E213-K224 IonicContact OE1-NZ 2.81Å; E213-K224 PolarHBondContact OE1-NZ 3.22Å; E213-K224 IonicContact OE2-NZ 2.92Å; E213-K224 PolarHBondContact OE2-NZ 2.96Å; A220-K224 HydrophobicContact CB-CD 4.38Å; A220-K224 VanDerWaalsContact O-CG 3.29Å; A220-K224 WeakPolarHBondContact O-CG 3.49Å; A220-K224 PolarHBondContact O-N 3.35Å; L221-K224 PolarHBondContact O-N 3.32Å; K224-A228 WeakPolarHBondContact O-CB 3.36Å; K224-A228 PolarHBondContact O-N 3.32Å
225	Y	98.1	Very high	96.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-64.4	-45.5	175.3	-70.2	-10.5	0	0	0	112.1	I133 G134 F155 L205 L221 T222 E223 S227 A228 A229 A250	I133-Y225 HydrophobicContact CG2-CD1 3.81Å; I133-Y225 HydrophobicContact CG2-CG 3.93Å; G134-Y225 VanDerWaalsContact CA-CZ 3.48Å; F155-Y225 HydrophobicContact CD1-CD1 4.02Å; F155-Y225 HydrophobicContact CD1-CE1 4.36Å; F155-Y225 HydrophobicContact CE1-CD1 4.03Å; F155-Y225 HydrophobicContact CE1-CE1 4.41Å; L205-Y225 HydrophobicContact CD1-CE1 4.24Å; L221-Y225 HydrophobicContact CD1-CD1 4.04Å; L221-Y225 HydrophobicContact CD1-CE1 3.39Å; L221-Y225 HydrophobicContact CD1-CE2 3.95Å; L221-Y225 HydrophobicContact CD2-CE2 3.85Å; L221-Y225 HydrophobicContact CG-CD1 4.5Å; L221-Y225 HydrophobicContact CG-CD2 4.13Å; L221-Y225 HydrophobicContact CG-CE1 4.03Å; L221-Y225 HydrophobicContact CG-CE2 3.62Å; L221-Y225 PolarHBondContact O-N 3.31Å; T222-Y225 PolarHBondContact O-N 3.49Å; E223-Y225 VanDerWaalsContact C-N 3.34Å; E223-Y225 PolarHBondContact O-N 3.17Å; Y225-S227 PolarHBondContact O-N 3.05Å; Y225-A228 PolarHBondContact O-N 3.16Å; Y225-A229 VanDerWaalsContact O-CB 3.31Å; Y225-A229 WeakPolarHBondContact O-CB 3.27Å; Y225-A229 PolarHBondContact O-N 2.99Å; Y225-A250 HydrophobicContact CE2-CB 4.26Å
226	R	98.3	Very high	96.8	Very high	97 Å²	97	38.1 Å²	38.1	37%	0.366	19%	0.187	S	C	.	.	H	α-helix	trans	-55.1	-54.8	175.4	-171.5	179.6	74.4	157	1.9	111	T222 E223 A228 A229 L230 L279 A282	T222-R226 WeakPolarHBondContact O-CB 3.48Å; T222-R226 PolarHBondContact O-N 3.48Å; E223-R226 PolarHBondContact O-N 3.42Å; E223-R226 IonicContact OE1-CZ 3.65Å; E223-R226 VanDerWaalsContact OE1-CZ 3.3Å; E223-R226 IonicContact OE1-NE 2.92Å; E223-R226 PolarHBondContact OE1-NE 2.66Å; E223-R226 IonicContact OE1-NH2 3.4Å; E223-R226 PolarHBondContact OE1-NH2 3.31Å; E223-R226 IonicContact OE2-CZ 2.8Å; E223-R226 IonicContact OE2-NE 3.19Å; E223-R226 PolarHBondContact OE2-NE 3.16Å; E223-R226 IonicContact OE2-NH1 2.77Å; E223-R226 IonicContact OE2-NH2 3.47Å; E223-R226 PolarHBondContact OE2-NH2 2.92Å; R226-A228 VanDerWaalsContact C-N 3.34Å; R226-A228 PolarHBondContact O-N 2.92Å; R226-A229 PolarHBondContact O-N 3.42Å; R226-L230 HydrophobicContact CG-CD1 4.04Å; R226-L230 HydrophobicContact CG-CG 4.43Å; R226-L230 VanDerWaalsContact O-CG 3.27Å; R226-L230 WeakPolarHBondContact O-CG 3.19Å; R226-L230 PolarHBondContact O-N 2.88Å; R226-L279 HydrophobicContact CB-CD1 3.75Å; R226-L279 HydrophobicContact CG-CD1 3.99Å; R226-A282 HydrophobicContact CG-CB 4.11Å
227	S	98.4	Very high	96.7	Very high	64 Å²	64	44.2 Å²	44.2	45%	0.448	21%	0.21	S	C	.	.	H	α-helix	trans	-57.9	-44.6	-179.8	-72.5	0	0	0	0	112.2	E223 Y225 R231	E223-S227 WeakPolarHBondContact O-CB 3.38Å; E223-S227 PolarHBondContact O-N 3.05Å; E223-S227 PolarHBondContact O-OG 3.48Å; E223-S227 PolarHBondContact OE1-OG 2.85Å; Y225-S227 PolarHBondContact O-N 3.05Å; S227-R231 WeakPolarHBondContact O-CB 3.49Å; S227-R231 PolarHBondContact O-N 2.82Å; S227-R231 VanDerWaalsContact O-N 3.12Å
228	A	98.4	Very high	96.7	Very high	3 Å²	3	45 Å²	45	3%	0.025	23%	0.226	C	C	.	.	H	α-helix	trans	-65.4	-45.3	178.4	0	0	0	0	0	112.1	I133 F155 K224 Y225 R226 R231 I232	I133-A228 HydrophobicContact CD1-CB 3.93Å; I133-A228 HydrophobicContact CG2-CB 4.39Å; F155-A228 HydrophobicContact CB-CB 4.42Å; F155-A228 HydrophobicContact CD1-CB 3.57Å; F155-A228 HydrophobicContact CE1-CB 4.05Å; F155-A228 HydrophobicContact CG-CB 4.16Å; K224-A228 WeakPolarHBondContact O-CB 3.36Å; K224-A228 PolarHBondContact O-N 3.32Å; Y225-A228 PolarHBondContact O-N 3.16Å; R226-A228 VanDerWaalsContact C-N 3.34Å; R226-A228 PolarHBondContact O-N 2.92Å; A228-R231 WeakPolarHBondContact O-CB 3.47Å; A228-R231 PolarHBondContact O-N 3.49Å; A228-I232 WeakPolarHBondContact O-CG1 3.28Å; A228-I232 PolarHBondContact O-N 2.8Å; A228-I232 VanDerWaalsContact O-N 3.14Å
229	A	98.6	Very high	96.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-43.6	-179.5	0	0	0	0	0	112.6	I133 Y225 R226 R231 I232 I233 L245 V247 L283	I133-A229 HydrophobicContact CG1-CB 4.2Å; Y225-A229 VanDerWaalsContact O-CB 3.31Å; Y225-A229 WeakPolarHBondContact O-CB 3.27Å; Y225-A229 PolarHBondContact O-N 2.99Å; R226-A229 PolarHBondContact O-N 3.42Å; A229-R231 VanDerWaalsContact C-N 3.33Å; A229-R231 PolarHBondContact O-N 3.39Å; A229-I232 WeakPolarHBondContact O-CB 3.47Å; A229-I232 PolarHBondContact O-N 2.67Å; A229-I232 VanDerWaalsContact O-N 3.15Å; A229-I233 PolarHBondContact O-N 3.46Å; A229-I233 VanDerWaalsContact O-N 3.14Å; A229-L245 HydrophobicContact CB-CD2 4.22Å; A229-V247 HydrophobicContact CB-CG2 4.38Å; A229-L283 HydrophobicContact CB-CD2 3.53Å
230	L	98.7	Very high	96.7	Very high	41 Å²	41	52.4 Å²	52.4	22%	0.215	27%	0.272	C	S	.	.	H	α-helix	trans	-61.2	-42.3	175.5	-66.1	-179.9	0	0	0	111.5	R226 I232 I233 H234 A282 A286	R226-L230 HydrophobicContact CG-CD1 4.04Å; R226-L230 HydrophobicContact CG-CG 4.43Å; R226-L230 VanDerWaalsContact O-CG 3.27Å; R226-L230 WeakPolarHBondContact O-CG 3.19Å; R226-L230 PolarHBondContact O-N 2.88Å; L230-I232 VanDerWaalsContact C-N 3.27Å; L230-I232 PolarHBondContact O-N 3.37Å; L230-I233 PolarHBondContact O-N 3.32Å; L230-H234 PolarHBondContact O-CD2 2.96Å; L230-H234 PolarHBondContact O-N 2.89Å; L230-A282 HydrophobicContact CD2-CB 4.48Å; L230-A286 HydrophobicContact CD2-CB 3.48Å; L230-A286 VanDerWaalsContact CD2-CB 3.48Å
231	R	98.3	Very high	96.7	Very high	114 Å²	114	54.1 Å²	54.1	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-57.4	-39.9	174.7	175.3	175.6	50.9	145.7	-4.1	111.9	Y153 E207 S227 A228 A229 S235	Y153-R231 PolarHBondContact OH-NH2 3.09Å; E207-R231 IonicContact OE1-NH1 2.87Å; E207-R231 IonicContact OE1-NH2 3.28Å; S227-R231 WeakPolarHBondContact O-CB 3.49Å; S227-R231 PolarHBondContact O-N 2.82Å; S227-R231 VanDerWaalsContact O-N 3.12Å; A228-R231 WeakPolarHBondContact O-CB 3.47Å; A228-R231 PolarHBondContact O-N 3.49Å; A229-R231 VanDerWaalsContact C-N 3.33Å; A229-R231 PolarHBondContact O-N 3.39Å; R231-S235 WeakPolarHBondContact O-CB 3.34Å; R231-S235 PolarHBondContact O-N 3.23Å; R231-S235 PolarHBondContact O-OG 3.32Å
232	I	97.9	Very high	96.8	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-50	176.4	-64.8	-62.5	0	0	0	111.1	Y129 A131 I133 Y153 A228 A229 L230 H234 S235 A236 L245	Y129-I232 HydrophobicContact CD1-CG2 4.16Å; Y129-I232 HydrophobicContact CE1-CD1 3.64Å; Y129-I232 HydrophobicContact CE1-CG2 3.9Å; Y129-I232 WeakPolarHBondContact OH-CD1 3.47Å; A131-I232 HydrophobicContact CB-CD1 3.99Å; A131-I232 HydrophobicContact CB-CG1 4Å; A131-I232 HydrophobicContact CB-CG2 3.85Å; I133-I232 HydrophobicContact CD1-CG1 4.48Å; Y153-I232 HydrophobicContact CD1-CD1 3.62Å; Y153-I232 HydrophobicContact CD1-CG1 4.23Å; Y153-I232 HydrophobicContact CE1-CD1 4.14Å; Y153-I232 HydrophobicContact CG-CD1 3.85Å; A228-I232 WeakPolarHBondContact O-CG1 3.28Å; A228-I232 PolarHBondContact O-N 2.8Å; A228-I232 VanDerWaalsContact O-N 3.14Å; A229-I232 WeakPolarHBondContact O-CB 3.47Å; A229-I232 PolarHBondContact O-N 2.67Å; A229-I232 VanDerWaalsContact O-N 3.15Å; L230-I232 VanDerWaalsContact C-N 3.27Å; L230-I232 PolarHBondContact O-N 3.37Å; I232-H234 PolarHBondContact O-N 3.06Å; I232-S235 PolarHBondContact O-N 3.48Å; I232-A236 WeakPolarHBondContact O-CB 3.22Å; I232-A236 PolarHBondContact O-N 2.93Å; I232-L245 HydrophobicContact CG2-CD1 4.24Å
233	I	98.4	Very high	97	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-58	-50.5	-179.3	-65	169.3	0	0	0	110.5	I35 A229 L230 S235 R237 Y243 L245 L283 A286 T290	I35-I233 HydrophobicContact CD1-CD1 3.83Å; I35-I233 HydrophobicContact CD1-CG1 4.39Å; A229-I233 PolarHBondContact O-N 3.46Å; A229-I233 VanDerWaalsContact O-N 3.14Å; L230-I233 PolarHBondContact O-N 3.32Å; I233-S235 PolarHBondContact O-N 3.09Å; I233-R237 WeakPolarHBondContact O-CB 3.23Å; I233-R237 PolarHBondContact O-N 3.42Å; I233-Y243 HydrophobicContact CG1-CE2 4.18Å; I233-L245 HydrophobicContact CD1-CD2 4.11Å; I233-L245 HydrophobicContact CG1-CD2 3.93Å; I233-L283 HydrophobicContact CD1-CD2 4.03Å; I233-A286 HydrophobicContact CD1-CB 4.2Å; I233-A286 HydrophobicContact CG2-CB 4.19Å; I233-T290 HydrophobicContact CG2-CG2 4.18Å
234	H	97.9	Very high	97.2	Very high	79 Å²	79	51 Å²	51	37%	0.366	26%	0.261	S	S	.	.	H	α-helix	trans	-67.2	-36.8	-179.9	-65.9	-63.2	0	0	0	112.8	L230 I232 R237 A238	L230-H234 PolarHBondContact O-CD2 2.96Å; L230-H234 PolarHBondContact O-N 2.89Å; I232-H234 PolarHBondContact O-N 3.06Å; H234-R237 PolarHBondContact O-N 3.44Å; H234-A238 WeakPolarHBondContact O-CB 3.26Å; H234-A238 PolarHBondContact O-N 3.49Å
235	S	96.1	Very high	97.2	Very high	43 Å²	43	48.3 Å²	48.3	30%	0.301	25%	0.25	S	C	.	.	H	α-helix	trans	-68.3	-42.6	178.3	-61.5	0	0	0	0	112.2	R231 I232 I233 R237 A238 R239	R231-S235 WeakPolarHBondContact O-CB 3.34Å; R231-S235 PolarHBondContact O-N 3.23Å; R231-S235 PolarHBondContact O-OG 3.32Å; I232-S235 PolarHBondContact O-N 3.48Å; I233-S235 PolarHBondContact O-N 3.09Å; S235-R237 VanDerWaalsContact C-N 3.32Å; S235-A238 PolarHBondContact O-N 3Å; S235-R239 WeakPolarHBondContact O-CG 3.46Å; S235-R239 PolarHBondContact O-N 3.26Å; S235-R239 VanDerWaalsContact O-N 3.13Å
236	A	94.4	Very high	97.3	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-43.1	175.4	0	0	0	0	0	111	Y129 I232 A238 R239 A240 Q241 Y243	Y129-A236 HydrophobicContact CD1-CB 4.42Å; I232-A236 WeakPolarHBondContact O-CB 3.22Å; I232-A236 PolarHBondContact O-N 2.93Å; A236-A238 PolarHBondContact O-N 3.31Å; A236-R239 CarbonylContact O-C 3.51Å; A236-R239 PolarHBondContact O-N 2.91Å; A236-A240 PolarHBondContact O-N 2.96Å; A236-A240 VanDerWaalsContact O-N 3.08Å; A236-Q241 PolarHBondContact O-N 3.25Å; A236-Y243 HydrophobicContact CB-CD1 3.55Å; A236-Y243 HydrophobicContact CB-CE1 4.42Å; A236-Y243 HydrophobicContact CB-CG 3.94Å
237	R	93.8	Very high	97.3	Very high	131 Å²	131	44.1 Å²	44.1	49%	0.494	23%	0.234	S	C	.	.	H	α-helix	trans	-58.5	-48	173.4	173.7	58.7	-176.3	168	-0.6	112.3	I233 H234 S235 R239 A240 T290	I233-R237 WeakPolarHBondContact O-CB 3.23Å; I233-R237 PolarHBondContact O-N 3.42Å; H234-R237 PolarHBondContact O-N 3.44Å; S235-R237 VanDerWaalsContact C-N 3.32Å; R237-R239 PolarHBondContact O-N 3.37Å; R237-A240 PolarHBondContact O-N 2.93Å; R237-T290 HydrophobicContact CB-CG2 4.05Å; R237-T290 HydrophobicContact CG-CG2 3.99Å; R237-T290 PolarHBondContact NE-O 3.19Å
238	A	95.7	Very high	97.2	Very high	89 Å²	89	41.1 Å²	41.1	74%	0.736	21%	0.213	S	C	*	.	H	α-helix	trans	-60.6	-29.7	179.5	0	0	0	0	0	112.7	H234 S235 A236	H234-A238 WeakPolarHBondContact O-CB 3.26Å; H234-A238 PolarHBondContact O-N 3.49Å; S235-A238 PolarHBondContact O-N 3Å; A236-A238 PolarHBondContact O-N 3.31Å
239	R	95.1	Very high	96.9	Very high	166 Å²	166	41 Å²	41	63%	0.626	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-2.8	176.5	-65	176.9	-174.7	-178	2.2	114	S235 A236 R237 Q241	S235-R239 WeakPolarHBondContact O-CG 3.46Å; S235-R239 PolarHBondContact O-N 3.26Å; S235-R239 VanDerWaalsContact O-N 3.13Å; A236-R239 CarbonylContact O-C 3.51Å; A236-R239 PolarHBondContact O-N 2.91Å; R237-R239 PolarHBondContact O-N 3.37Å; R239-Q241 HydrophobicContact CB-CB 4.23Å; R239-Q241 PolarHBondContact O-N 3.45Å
240	A	94.3	Very high	96.5	Very high	87 Å²	87	41.1 Å²	41.1	72%	0.719	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	34	-171.3	0	0	0	0	0	113.4	A236 R237	A236-A240 PolarHBondContact O-N 2.96Å; A236-A240 VanDerWaalsContact O-N 3.08Å; R237-A240 PolarHBondContact O-N 2.93Å
241	Q	95.1	Very high	95.8	Very high	65 Å²	65	39.8 Å²	39.8	30%	0.304	21%	0.206	S	C	.	.			trans	-102.4	133.6	-178	-167.9	175.8	9.4	0	0	109.9	G127 A236 R239	G127-Q241 PolarHBondContact O-NE2 3.14Å; G127-Q241 VanDerWaalsContact O-NE2 3.1Å; A236-Q241 PolarHBondContact O-N 3.25Å; R239-Q241 HydrophobicContact CB-CB 4.23Å; R239-Q241 PolarHBondContact O-N 3.45Å
242	P	97.9	Very high	95.7	Very high	25 Å²	25	34.5 Å²	34.5	16%	0.162	19%	0.186	C	C	.	.			trans	-65.3	147.2	172.1	30.3	-35.4	0	0	0	109.8	K31 N33 Y128 Y129	K31-P242 HydrophobicContact CB-CB 3.91Å; K31-P242 HydrophobicContact CB-CG 4.06Å; K31-P242 HydrophobicContact CD-CG 4.26Å; N33-P242 WeakPolarHBondContact OD1-CA 3.44Å; Y128-P242 CarbonylContact C-O 3.52Å; Y128-P242 WeakPolarHBondContact CA-O 3.3Å; Y128-P242 HydrophobicContact CD1-CB 3.9Å; Y128-P242 HydrophobicContact CD1-CG 4.34Å; Y128-P242 HydrophobicContact CD2-CG 4.49Å; Y128-P242 HydrophobicContact CE1-CB 3.74Å; Y128-P242 HydrophobicContact CE1-CG 4.43Å; Y128-P242 HydrophobicContact CG-CB 4.41Å; Y128-P242 HydrophobicContact CG-CG 4.36Å; Y129-P242 PolarHBondContact N-O 3.42Å
243	Y	98.7	Very high	95.6	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.016	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	150.7	-176.5	66.5	-91.1	0	0	0	113.7	N33 F34 I35 Y129 I233 A236 L245	N33-Y243 WeakPolarHBondContact CA-O 3.39Å; N33-Y243 HydrophobicContact CB-CD1 3.79Å; N33-Y243 HydrophobicContact CB-CD2 4.27Å; N33-Y243 HydrophobicContact CB-CE1 3.46Å; N33-Y243 VanDerWaalsContact CB-CE1 3.46Å; N33-Y243 HydrophobicContact CB-CE2 3.97Å; N33-Y243 HydrophobicContact CB-CG 4.19Å; N33-Y243 WeakPolarHBondContact OD1-CD1 3.49Å; N33-Y243 PolarHBondContact OD1-N 3.25Å; F34-Y243 PolarHBondContact N-O 3Å; I35-Y243 HydrophobicContact CD1-CE2 4.15Å; I35-Y243 HydrophobicContact CG1-CE2 3.73Å; Y129-Y243 CarbonylContact O-C 3.55Å; Y129-Y243 WeakPolarHBondContact O-CA 3.32Å; Y129-Y243 WeakPolarHBondContact O-CB 3.48Å; I233-Y243 HydrophobicContact CG1-CE2 4.18Å; A236-Y243 HydrophobicContact CB-CD1 3.55Å; A236-Y243 HydrophobicContact CB-CE1 4.42Å; A236-Y243 HydrophobicContact CB-CG 3.94Å; Y243-L245 HydrophobicContact CD2-CB 4.03Å; Y243-L245 HydrophobicContact CE2-CB 4.28Å
244	F	98.9	Very high	95.4	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.009	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	113.8	167.2	169.9	-116	0	0	0	108.1	F34 I36 L119 A120 L123 Y128 Y129 T130 A131 F151 L246	F34-F244 HydrophobicContact CB-CD2 3.92Å; F34-F244 WeakPolarHBondContact O-CA 3.47Å; I36-F244 HydrophobicContact CG1-CE2 3.71Å; L119-F244 HydrophobicContact CD2-CE2 3.98Å; L119-F244 HydrophobicContact CD2-CZ 3.84Å; L119-F244 HydrophobicContact CG-CZ 4.29Å; A120-F244 HydrophobicContact CB-CD1 4.32Å; A120-F244 HydrophobicContact CB-CE1 4.09Å; L123-F244 HydrophobicContact CD1-CB 3.72Å; L123-F244 HydrophobicContact CD1-CD1 4Å; L123-F244 HydrophobicContact CD1-CD2 3.83Å; L123-F244 HydrophobicContact CD1-CE2 4.44Å; L123-F244 HydrophobicContact CD1-CG 3.57Å; Y128-F244 HydrophobicContact CD1-CB 4.48Å; Y129-F244 PolarHBondContact O-N 3.37Å; T130-F244 WeakPolarHBondContact CA-O 3.1Å; T130-F244 HydrophobicContact CG2-CB 4.3Å; T130-F244 HydrophobicContact CG2-CD1 4.33Å; A131-F244 PolarHBondContact N-O 2.83Å; F151-F244 AromaticContact CE1-CD1 4Å; F151-F244 HydrophobicContact CE1-CD1 4Å; F151-F244 AromaticContact CE1-CE1 3.61Å; F151-F244 HydrophobicContact CE1-CE1 3.61Å; F151-F244 AromaticContact CZ-CE1 3.96Å; F151-F244 HydrophobicContact CZ-CE1 3.96Å; F244-L246 HydrophobicContact CE1-CB 4.4Å; F244-L246 HydrophobicContact CZ-CB 4.21Å
245	L	98.9	Very high	95.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	111.9	-180	175.3	61.5	0	0	0	109.3	F34 I35 I36 A131 I133 A229 I232 I233 Y243 V247 L283	F34-L245 PolarHBondContact O-N 3.11Å; I35-L245 CarbonylContact C-O 3.56Å; I35-L245 WeakPolarHBondContact CA-O 3.39Å; I35-L245 HydrophobicContact CG1-CB 4.37Å; I35-L245 HydrophobicContact CG1-CD2 4.47Å; I35-L245 HydrophobicContact CG2-CD2 4.47Å; I36-L245 PolarHBondContact N-O 3.37Å; A131-L245 HydrophobicContact CB-CD1 3.96Å; A131-L245 WeakPolarHBondContact O-CA 3.33Å; I133-L245 HydrophobicContact CG1-CD1 3.77Å; A229-L245 HydrophobicContact CB-CD2 4.22Å; I232-L245 HydrophobicContact CG2-CD1 4.24Å; I233-L245 HydrophobicContact CD1-CD2 4.11Å; I233-L245 HydrophobicContact CG1-CD2 3.93Å; Y243-L245 HydrophobicContact CD2-CB 4.03Å; Y243-L245 HydrophobicContact CE2-CB 4.28Å; L245-V247 HydrophobicContact CD1-CG2 4.17Å; L245-V247 HydrophobicContact CD2-CG2 3.93Å; L245-V247 HydrophobicContact CG-CG2 3.74Å; L245-L283 HydrophobicContact CD2-CD2 4.46Å
246	L	98.9	Very high	95.3	Very high	8 Å²	8	29.3 Å²	29.3	4%	0.042	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	107.5	169.1	177.5	62.6	0	0	0	109	I36 L38 L90 A131 V132 I133 F151 F244 A248	I36-L246 HydrophobicContact CB-CD1 3.98Å; I36-L246 HydrophobicContact CG2-CD1 4.03Å; I36-L246 CarbonylContact O-C 3.36Å; I36-L246 WeakPolarHBondContact O-CA 3.46Å; L38-L246 HydrophobicContact CB-CD1 4.31Å; L90-L246 HydrophobicContact CD2-CD2 4.17Å; A131-L246 PolarHBondContact O-N 2.89Å; V132-L246 CarbonylContact C-O 3.56Å; V132-L246 VanDerWaalsContact CA-O 3.29Å; V132-L246 WeakPolarHBondContact CA-O 3.31Å; V132-L246 HydrophobicContact CB-CB 4.24Å; V132-L246 HydrophobicContact CG2-CB 4.11Å; V132-L246 HydrophobicContact CG2-CD2 3.88Å; V132-L246 HydrophobicContact CG2-CG 4.01Å; I133-L246 PolarHBondContact N-O 3.16Å; F151-L246 HydrophobicContact CE1-CB 4.15Å; F151-L246 HydrophobicContact CZ-CB 4.29Å; F151-L246 HydrophobicContact CZ-CD2 3.93Å; F244-L246 HydrophobicContact CE1-CB 4.4Å; F244-L246 HydrophobicContact CZ-CB 4.21Å; L246-A248 HydrophobicContact CG-CB 4.14Å; L246-A248 PolarHBondContact O-N 2.86Å
247	V	98.8	Very high	95.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	88.2	171.7	-172.4	0	0	0	0	108.2	I35 I36 V37 L38 I133 A229 L245 S249 L279 L283	I35-V247 HydrophobicContact CG2-CG2 4.43Å; I36-V247 PolarHBondContact O-N 2.78Å; V37-V247 WeakPolarHBondContact CA-O 3.23Å; V37-V247 HydrophobicContact CG2-CB 4.39Å; L38-V247 PolarHBondContact N-O 3.31Å; I133-V247 CarbonylContact O-C 3.19Å; I133-V247 WeakPolarHBondContact O-CA 3.14Å; A229-V247 HydrophobicContact CB-CG2 4.38Å; L245-V247 HydrophobicContact CD1-CG2 4.17Å; L245-V247 HydrophobicContact CD2-CG2 3.93Å; L245-V247 HydrophobicContact CG-CG2 3.74Å; V247-S249 PolarHBondContact O-N 2.86Å; V247-L279 HydrophobicContact CG1-CD2 4.15Å; V247-L283 HydrophobicContact CB-CD1 4.25Å; V247-L283 HydrophobicContact CG1-CD1 4.21Å; V247-L283 HydrophobicContact CG2-CD1 3.82Å; V247-L283 HydrophobicContact CG2-CD2 4.31Å
248	A	97.6	Very high	95.4	Very high	1 Å²	1	23.3 Å²	23.3	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	72	-178.3	0	0	0	0	0	109.9	L38 V132 I133 G134 K135 L246	L38-A248 CarbonylContact O-C 3.57Å; L38-A248 WeakPolarHBondContact O-CA 3.5Å; V132-A248 HydrophobicContact CG2-CB 4.43Å; I133-A248 PolarHBondContact O-N 2.86Å; G134-A248 CarbonylContact C-O 3.5Å; G134-A248 VanDerWaalsContact CA-O 3.25Å; G134-A248 WeakPolarHBondContact CA-O 3.28Å; K135-A248 PolarHBondContact N-O 3.05Å; K135-A248 WeakPolarHBondContact O-CB 3.14Å; L246-A248 HydrophobicContact CG-CB 4.14Å; L246-A248 PolarHBondContact O-N 2.86Å
249	S	90.8	Very high	95.1	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.136	C	C	.	.			trans	-55	150.8	-172.7	-166.6	0	0	0	0	112.4	L38 V247 H251	L38-S249 PolarHBondContact O-N 2.8Å; V247-S249 PolarHBondContact O-N 2.86Å; S249-H251 VanDerWaalsContact C-N 3.32Å; S249-H251 WeakPolarHBondContact OG-CB 3.35Å; S249-H251 PolarHBondContact OG-N 2.84Å; S249-H251 VanDerWaalsContact OG-N 3.07Å; S249-H251 PolarHBondContact OG-ND1 2.96Å
250	A	89.5	Confident	94.9	Very high	3 Å²	3	17.1 Å²	17.1	3%	0.025	12%	0.117	C	C	.	.			trans	-83.4	-13.5	166.1	0	0	0	0	0	111.8	I157 L221 Y225 H253	I157-A250 HydrophobicContact CD1-CB 3.71Å; L221-A250 HydrophobicContact CD2-CB 4.05Å; Y225-A250 HydrophobicContact CE2-CB 4.26Å; A250-H253 WeakPolarHBondContact O-CB 3.42Å; A250-H253 PolarHBondContact O-N 3.13Å; A250-H253 VanDerWaalsContact O-N 3.07Å
251	H	86	Confident	94.5	Very high	14 Å²	14	18.5 Å²	18.5	7%	0.065	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.1	139.3	167.2	-62.9	63.4	0	0	0	107.9	D40 T222 S249 S272 E275 L276	D40-H251 WeakPolarHBondContact CB-O 3.48Å; D40-H251 PolarHBondContact N-O 2.79Å; D40-H251 CarbonylContact O-C 3.53Å; T222-H251 PolarHBondContact OG1-CE1 3.29Å; T222-H251 PolarHBondContact OG1-NE2 2.91Å; S249-H251 VanDerWaalsContact C-N 3.32Å; S249-H251 WeakPolarHBondContact OG-CB 3.35Å; S249-H251 PolarHBondContact OG-N 2.84Å; S249-H251 VanDerWaalsContact OG-N 3.07Å; S249-H251 PolarHBondContact OG-ND1 2.96Å; H251-S272 PolarHBondContact CD2-OG 3.31Å; H251-E275 IonicContact NE2-OE2 3.76Å; H251-L276 HydrophobicContact CB-CB 4.28Å; H251-L276 HydrophobicContact CB-CD1 4.44Å
252	M	94.8	Very high	94	Very high	3 Å²	3	20 Å²	20	2%	0.015	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	cis	-101.2	23.9	7.8	-66.8	-62.2	-66.7	0	0	113.4	D40 L256 Y269 S272 L273 L276	D40-M252 CarbonylContact O-C 3.57Å; D40-M252 WeakPolarHBondContact O-CA 3.13Å; D40-M252 WeakPolarHBondContact O-CB 3.47Å; D40-M252 PolarHBondContact O-N 2.83Å; M252-L256 WeakPolarHBondContact O-CD2 3.45Å; M252-Y269 HydrophobicContact CB-CE2 4.03Å; M252-Y269 HydrophobicContact CE-CD1 4.08Å; M252-Y269 HydrophobicContact CE-CD2 3.53Å; M252-Y269 HydrophobicContact CE-CE1 3.84Å; M252-Y269 HydrophobicContact CE-CE2 3.24Å; M252-Y269 HydrophobicContact CE-CG 3.93Å; M252-Y269 VanDerWaalsContact CE-CZ 3.4Å; M252-Y269 WeakPolarHBondContact CE-O 3.39Å; M252-Y269 HydrophobicContact CG-CE2 4.39Å; M252-S272 WeakPolarHBondContact CE-OG 3.27Å; M252-S272 VanDerWaalsContact SD-C 3.54Å; M252-S272 PolarHBondContact SD-OG 3.25Å; M252-L273 HydrophobicContact CE-CB 3.86Å; M252-L273 HydrophobicContact SD-CB 4.18Å; M252-L273 HydrophobicContact SD-CD1 4.5Å; M252-L276 HydrophobicContact CG-CD2 4.11Å; M252-L276 HydrophobicContact SD-CB 4.5Å; M252-L276 HydrophobicContact SD-CD2 4.4Å
253	H	96.4	Very high	93.3	Very high	5 Å²	5	21.8 Å²	21.8	2%	0.023	15%	0.15	C	C	.	.	S	Bend	trans	-74.2	133.1	-177.6	-165.3	-68	0	0	0	111.1	D40 D41 N161 D162 A250 W306 K333	D40-H253 HydrophobicContact CB-CB 3.96Å; D40-H253 VanDerWaalsContact CG-CB 3.45Å; D40-H253 IonicContact OD1-CD2 3.39Å; D40-H253 WeakPolarHBondContact OD2-CB 3.34Å; D40-H253 IonicContact OD2-CD2 3.06Å; D40-H253 IonicContact OD2-CG 2.78Å; D41-H253 VanDerWaalsContact CG-CD2 3.47Å; D41-H253 IonicContact OD1-CD2 3.46Å; D41-H253 IonicContact OD2-CD2 3.66Å; D41-H253 PolarHBondContact OD2-CD2 2.69Å; D41-H253 IonicContact OD2-CG 3.37Å; D41-H253 IonicContact OD2-NE2 2.74Å; N161-H253 PolarHBondContact ND2-O 2.97Å; D162-H253 IonicContact OD1-CE1 3.48Å; D162-H253 PolarHBondContact OD1-CE1 2.88Å; D162-H253 IonicContact OD1-ND1 3.09Å; A250-H253 WeakPolarHBondContact O-CB 3.42Å; A250-H253 PolarHBondContact O-N 3.13Å; A250-H253 VanDerWaalsContact O-N 3.07Å; H253-W306 AromaticContact CE1-CE3 3.83Å; H253-W306 AromaticContact CE1-CZ3 3.41Å; H253-W306 VanDerWaalsContact CE1-CZ3 3.41Å; H253-W306 WeakPolarHBondContact CE1-CZ3 3.07Å; H253-W306 AromaticContact NE2-CE3 3.88Å; H253-W306 AromaticContact NE2-CZ3 3.74Å; H253-K333 PolarHBondContact CD2-NZ 2.86Å; H253-K333 PolarHBondContact NE2-NZ 2.98Å
254	V	94.3	Very high	92.2	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	17%	0.171	C	C	.	.	S	Bend	trans	-63.4	151.7	175.8	-66.5	0	0	0	0	111.9	N161 D172 L256 W306 K309 F312	N161-V254 VanDerWaalsContact ND2-C 3.33Å; N161-V254 PolarHBondContact ND2-O 2.94Å; D172-V254 HydrophobicContact CB-CB 4.31Å; D172-V254 WeakPolarHBondContact OD1-CB 3.4Å; D172-V254 VanDerWaalsContact OD1-CG2 3.27Å; D172-V254 WeakPolarHBondContact OD1-CG2 3.31Å; V254-L256 HydrophobicContact CG1-CG 4.2Å; V254-W306 HydrophobicContact CG2-CE3 3.8Å; V254-W306 HydrophobicContact CG2-CZ3 3.84Å; V254-K309 HydrophobicContact CG1-CB 4.06Å; V254-K309 HydrophobicContact CG1-CG 4.13Å; V254-K309 HydrophobicContact CG2-CD 3.82Å; V254-K309 HydrophobicContact CG2-CG 3.71Å; V254-F312 HydrophobicContact CG1-CB 3.69Å
255	P	95.3	Very high	91.2	Very high	7 Å²	7	26.7 Å²	26.7	5%	0.045	19%	0.192	C	C	.	.	S	Bend	cis	-68.5	139	-4	-19.7	33.3	0	0	0	113.3	N161 Y171 D172 C176 C197 L218	N161-P255 PolarHBondContact ND2-O 2.93Å; Y171-P255 CarbonylContact O-C 3.6Å; Y171-P255 VanDerWaalsContact O-CA 3.24Å; Y171-P255 WeakPolarHBondContact O-CA 3.18Å; D172-P255 HydrophobicContact CB-CB 4.07Å; D172-P255 HydrophobicContact CB-CG 4.07Å; C176-P255 HydrophobicContact CB-CG 4.19Å; C197-P255 WeakPolarHBondContact SG-CG 3.46Å; L218-P255 HydrophobicContact CD2-CB 4.13Å
256	L	96	Very high	90.5	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.016	22%	0.223	C	C	.	.	B	Isolated β-bridge	trans	-84	137.9	174.7	-56.4	-178.5	0	0	0	109.8	G170 Y171 M252 V254 V268 Y269 F312	G170-L256 CarbonylContact C-O 3.39Å; G170-L256 WeakPolarHBondContact CA-O 3.42Å; Y171-L256 VanDerWaalsContact CD2-O 3.28Å; Y171-L256 WeakPolarHBondContact CD2-O 3.43Å; Y171-L256 PolarHBondContact N-O 2.99Å; Y171-L256 PolarHBondContact O-N 2.76Å; M252-L256 WeakPolarHBondContact O-CD2 3.45Å; V254-L256 HydrophobicContact CG1-CG 4.2Å; L256-V268 HydrophobicContact CB-CG1 3.88Å; L256-V268 HydrophobicContact CD1-CG1 3.97Å; L256-Y269 HydrophobicContact CD1-CD2 3.97Å; L256-F312 HydrophobicContact CD1-CB 4.02Å; L256-F312 HydrophobicContact CD1-CD1 4.39Å
257	A	95.2	Very high	90.1	Very high	6 Å²	6	34.1 Å²	34.1	5%	0.05	24%	0.238	C	C	.	.			trans	-128.4	42	179.3	0	0	0	0	0	115.1	L218 W219	L218-A257 HydrophobicContact CB-CB 4.25Å; L218-A257 HydrophobicContact CD2-CB 3.91Å; L218-A257 HydrophobicContact CG-CB 3.68Å; W219-A257 HydrophobicContact CD2-CB 3.79Å; W219-A257 HydrophobicContact CE3-CB 4.11Å; W219-A257 HydrophobicContact CG-CB 4.01Å
258	P	94.6	Very high	90	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	24%	0.238	C	C	.	.			trans	-76.5	148.3	174.1	34.6	-36.3	0	0	0	111.3	W219 V260 V268 A271 E275	W219-P258 VanDerWaalsContact CZ3-O 3.29Å; W219-P258 WeakPolarHBondContact CZ3-O 3.29Å; P258-V260 HydrophobicContact CG-CG1 4.36Å; P258-V260 PolarHBondContact O-N 3.23Å; P258-V268 HydrophobicContact CG-CG1 3.95Å; P258-V268 WeakPolarHBondContact CG-O 3.4Å; P258-A271 HydrophobicContact CB-CB 3.73Å; P258-A271 HydrophobicContact CG-CB 4Å; P258-E275 WeakPolarHBondContact CA-OE1 3.47Å
259	A	90.5	Very high	89.9	Confident	86 Å²	86	34.9 Å²	34.9	71%	0.711	24%	0.241	S	C	*	.			trans	-73.6	112.9	171.6	0	0	0	0	0	110.6
260	V	91.1	Very high	90.1	Very high	38 Å²	38	35.9 Å²	35.9	23%	0.23	25%	0.249	C	C	.	.			trans	-128.2	142.4	177.7	-66.7	0	0	0	0	111.2	Y171 P258 P263 V268 A271	Y171-V260 HydrophobicContact CE2-CG2 4.12Å; P258-V260 HydrophobicContact CG-CG1 4.36Å; P258-V260 PolarHBondContact O-N 3.23Å; V260-P263 HydrophobicContact CG2-CB 3.85Å; V260-V268 HydrophobicContact CG2-CG2 4.08Å; V260-A271 HydrophobicContact CG1-CB 3.43Å; V260-A271 VanDerWaalsContact CG1-CB 3.43Å
261	A	85	Confident	90.4	Very high	116 Å²	116	36.5 Å²	36.5	96%	0.959	25%	0.254	S	S	*	.	S	Bend	trans	-74.5	-37.2	178.8	0	0	0	0	0	112.5
262	D	84.5	Confident	90.9	Very high	98 Å²	98	35.8 Å²	35.8	52%	0.524	25%	0.251	S	S	.	.			trans	-131.2	112.5	173.4	179.8	12.1	0	0	0	108.9	S264	D262-S264 VanDerWaalsContact CG-OG 3.28Å; D262-S264 PolarHBondContact O-N 3.2Å; D262-S264 VanDerWaalsContact O-N 3.11Å; D262-S264 WeakPolarHBondContact OD1-CB 3.21Å; D262-S264 PolarHBondContact OD1-N 2.6Å; D262-S264 PolarHBondContact OD1-OG 2.95Å; D262-S264 PolarHBondContact OD2-OG 2.74Å
263	P	82.8	Confident	91	Very high	61 Å²	61	35.9 Å²	35.9	40%	0.396	25%	0.251	S	S	.	.			trans	-81.1	28.6	-178.1	34	-35.7	0	0	0	113.9	Y171 V260 V268	Y171-P263 HydrophobicContact CD1-CB 4.2Å; Y171-P263 HydrophobicContact CE1-CB 3.41Å; Y171-P263 VanDerWaalsContact CE1-CB 3.41Å; Y171-P263 HydrophobicContact CE1-CG 4.12Å; V260-P263 HydrophobicContact CG2-CB 3.85Å; P263-V268 HydrophobicContact CB-CG2 3.86Å
264	S	77.1	Confident	91	Very high	65 Å²	65	40.2 Å²	40.2	46%	0.455	27%	0.272	S	S	.	.			trans	-86.5	148.4	179.9	70.7	0	0	0	0	112.9	D262 A267	D262-S264 VanDerWaalsContact CG-OG 3.28Å; D262-S264 PolarHBondContact O-N 3.2Å; D262-S264 VanDerWaalsContact O-N 3.11Å; D262-S264 WeakPolarHBondContact OD1-CB 3.21Å; D262-S264 PolarHBondContact OD1-N 2.6Å; D262-S264 PolarHBondContact OD1-OG 2.95Å; D262-S264 PolarHBondContact OD2-OG 2.74Å; S264-A267 WeakPolarHBondContact O-CB 3.44Å; S264-A267 PolarHBondContact O-N 2.91Å
265	G	77.8	Confident	91.1	Very high	45 Å²	45	43 Å²	43	46%	0.464	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.7	-138.1	176.7	0	0	0	0	0	113.8	A267	G265-A267 VanDerWaalsContact C-N 3.29Å; G265-A267 PolarHBondContact O-N 3.49Å
266	D	83.1	Confident	91.2	Very high	119 Å²	119	42.6 Å²	42.6	64%	0.636	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	1.5	-175	-56.7	-24.1	0	0	0	113.4	V268 Y269 A270	D266-V268 VanDerWaalsContact C-N 3.27Å; D266-V268 PolarHBondContact O-N 3.05Å; D266-Y269 PolarHBondContact O-N 3.33Å; D266-A270 WeakPolarHBondContact O-CB 3.41Å; D266-A270 PolarHBondContact O-N 2.89Å
267	A	91.8	Very high	91.4	Very high	44 Å²	44	42.6 Å²	42.6	36%	0.364	28%	0.282	S	S	.	.	H	α-helix	trans	-61.2	-36.6	-174.5	0	0	0	0	0	112.5	S264 G265 A271	S264-A267 WeakPolarHBondContact O-CB 3.44Å; S264-A267 PolarHBondContact O-N 2.91Å; G265-A267 VanDerWaalsContact C-N 3.29Å; G265-A267 PolarHBondContact O-N 3.49Å; A267-A271 VanDerWaalsContact O-CB 3.31Å; A267-A271 WeakPolarHBondContact O-CB 3.31Å; A267-A271 PolarHBondContact O-N 3.29Å
268	V	95.4	Very high	91.5	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-64.6	-49.7	177.1	177.3	0	0	0	0	110.6	Y171 L256 P258 V260 P263 D266 A270 A271 S272 F312	Y171-V268 HydrophobicContact CD1-CG2 4.3Å; Y171-V268 HydrophobicContact CD2-CB 4.38Å; Y171-V268 HydrophobicContact CD2-CG1 3.38Å; Y171-V268 HydrophobicContact CD2-CG2 4.01Å; Y171-V268 HydrophobicContact CE1-CG2 4.48Å; Y171-V268 HydrophobicContact CE2-CG1 4.13Å; Y171-V268 HydrophobicContact CE2-CG2 4.19Å; Y171-V268 HydrophobicContact CG-CG1 3.72Å; Y171-V268 HydrophobicContact CG-CG2 4.07Å; L256-V268 HydrophobicContact CB-CG1 3.88Å; L256-V268 HydrophobicContact CD1-CG1 3.97Å; P258-V268 HydrophobicContact CG-CG1 3.95Å; P258-V268 WeakPolarHBondContact CG-O 3.4Å; V260-V268 HydrophobicContact CG2-CG2 4.08Å; P263-V268 HydrophobicContact CB-CG2 3.86Å; D266-V268 VanDerWaalsContact C-N 3.27Å; D266-V268 PolarHBondContact O-N 3.05Å; V268-A270 PolarHBondContact O-N 3.43Å; V268-A271 PolarHBondContact O-N 2.94Å; V268-S272 PolarHBondContact O-N 2.87Å; V268-F312 HydrophobicContact CB-CD1 4.1Å; V268-F312 HydrophobicContact CB-CE1 3.98Å; V268-F312 HydrophobicContact CG1-CD1 3.98Å; V268-F312 HydrophobicContact CG1-CE1 4.05Å; V268-F312 HydrophobicContact CG2-CE1 4.09Å
269	Y	95.4	Very high	91.7	Very high	17 Å²	17	44 Å²	44	7%	0.067	30%	0.297	C	S	.	.	H	α-helix	trans	-61.5	-47.4	179	-171.2	-92.8	0	0	0	111	D46 M252 L256 D266 A271 S272 L273 F312 A313 G314	D46-Y269 WeakPolarHBondContact OD1-CE1 3.35Å; D46-Y269 PolarHBondContact OD2-OH 3.39Å; M252-Y269 HydrophobicContact CB-CE2 4.03Å; M252-Y269 HydrophobicContact CE-CD1 4.08Å; M252-Y269 HydrophobicContact CE-CD2 3.53Å; M252-Y269 HydrophobicContact CE-CE1 3.84Å; M252-Y269 HydrophobicContact CE-CE2 3.24Å; M252-Y269 HydrophobicContact CE-CG 3.93Å; M252-Y269 VanDerWaalsContact CE-CZ 3.4Å; M252-Y269 WeakPolarHBondContact CE-O 3.39Å; M252-Y269 HydrophobicContact CG-CE2 4.39Å; L256-Y269 HydrophobicContact CD1-CD2 3.97Å; D266-Y269 PolarHBondContact O-N 3.33Å; Y269-A271 VanDerWaalsContact C-N 3.35Å; Y269-A271 PolarHBondContact O-N 3.35Å; Y269-S272 PolarHBondContact O-N 2.94Å; Y269-L273 HydrophobicContact CE1-CD2 4.36Å; Y269-L273 WeakPolarHBondContact O-CB 3.37Å; Y269-L273 PolarHBondContact O-N 3.49Å; Y269-F312 WeakPolarHBondContact CD2-O 3.34Å; Y269-A313 VanDerWaalsContact CE2-C 3.46Å; Y269-G314 VanDerWaalsContact CE2-N 3.25Å; Y269-G314 WeakPolarHBondContact OH-CA 3.29Å
270	A	94.9	Very high	92.1	Very high	21 Å²	21	40 Å²	40	17%	0.174	26%	0.263	C	S	.	.	H	α-helix	trans	-58.3	-43.4	178.8	0	0	0	0	0	112.7	D266 V268 L273 Q274	D266-A270 WeakPolarHBondContact O-CB 3.41Å; D266-A270 PolarHBondContact O-N 2.89Å; V268-A270 PolarHBondContact O-N 3.43Å; A270-L273 PolarHBondContact O-N 3.33Å; A270-Q274 VanDerWaalsContact O-CG 3.3Å; A270-Q274 WeakPolarHBondContact O-CG 3.44Å; A270-Q274 PolarHBondContact O-N 3.04Å
271	A	95.9	Very high	92.4	Very high	16 Å²	16	38.7 Å²	38.7	13%	0.132	26%	0.257	C	S	.	.	H	α-helix	trans	-66.5	-41.2	177.8	0	0	0	0	0	112.4	P258 V260 A267 V268 Y269 L273 Q274 E275	P258-A271 HydrophobicContact CB-CB 3.73Å; P258-A271 HydrophobicContact CG-CB 4Å; V260-A271 HydrophobicContact CG1-CB 3.43Å; V260-A271 VanDerWaalsContact CG1-CB 3.43Å; A267-A271 VanDerWaalsContact O-CB 3.31Å; A267-A271 WeakPolarHBondContact O-CB 3.31Å; A267-A271 PolarHBondContact O-N 3.29Å; V268-A271 PolarHBondContact O-N 2.94Å; Y269-A271 VanDerWaalsContact C-N 3.35Å; Y269-A271 PolarHBondContact O-N 3.35Å; A271-L273 VanDerWaalsContact C-N 3.28Å; A271-L273 PolarHBondContact O-N 2.98Å; A271-Q274 PolarHBondContact O-N 3.07Å; A271-E275 PolarHBondContact O-N 3.46Å
272	S	96.3	Very high	93.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.9	-36.5	174.4	175.5	0	0	0	0	111.8	H251 M252 V268 Y269 E275 L276	H251-S272 PolarHBondContact CD2-OG 3.31Å; M252-S272 WeakPolarHBondContact CE-OG 3.27Å; M252-S272 VanDerWaalsContact SD-C 3.54Å; M252-S272 PolarHBondContact SD-OG 3.25Å; V268-S272 PolarHBondContact O-N 2.87Å; Y269-S272 PolarHBondContact O-N 2.94Å; S272-E275 PolarHBondContact O-N 3.02Å; S272-L276 PolarHBondContact O-N 3.44Å; S272-L276 VanDerWaalsContact O-N 3.09Å
273	L	97	Very high	93.8	Very high	4 Å²	4	29.6 Å²	29.6	2%	0.021	20%	0.196	C	C	.	.	H	α-helix	trans	-68.4	-40.1	176.2	179.4	61.2	0	0	0	111.7	I42 D46 N58 T59 M252 Y269 A270 A271 E275 L276 D277	I42-L273 HydrophobicContact CD1-CD1 4.15Å; D46-L273 HydrophobicContact CB-CD1 4.41Å; D46-L273 HydrophobicContact CB-CD2 4.15Å; D46-L273 WeakPolarHBondContact O-CD2 3.39Å; N58-L273 HydrophobicContact CB-CD2 3.97Å; N58-L273 HydrophobicContact CB-CG 4.49Å; T59-L273 HydrophobicContact CG2-CD1 3.87Å; T59-L273 HydrophobicContact CG2-CD2 3.85Å; T59-L273 HydrophobicContact CG2-CG 3.72Å; M252-L273 HydrophobicContact CE-CB 3.86Å; M252-L273 HydrophobicContact SD-CB 4.18Å; M252-L273 HydrophobicContact SD-CD1 4.5Å; Y269-L273 HydrophobicContact CE1-CD2 4.36Å; Y269-L273 WeakPolarHBondContact O-CB 3.37Å; Y269-L273 PolarHBondContact O-N 3.49Å; A270-L273 PolarHBondContact O-N 3.33Å; A271-L273 VanDerWaalsContact C-N 3.28Å; A271-L273 PolarHBondContact O-N 2.98Å; L273-E275 VanDerWaalsContact C-N 3.32Å; L273-E275 PolarHBondContact O-N 3.17Å; L273-L276 PolarHBondContact O-N 3Å; L273-D277 WeakPolarHBondContact O-CB 3.41Å; L273-D277 PolarHBondContact O-N 3.3Å
274	Q	97.1	Very high	94.5	Very high	96 Å²	96	27.4 Å²	27.4	45%	0.449	18%	0.18	S	C	.	.	H	α-helix	trans	-63.5	-36	173.6	-71.7	168.7	7.7	0	0	112.1	N58 A270 A271 D277 G278	N58-Q274 HydrophobicContact CB-CG 4.37Å; N58-Q274 VanDerWaalsContact O-CG 3.29Å; N58-Q274 WeakPolarHBondContact O-CG 3.27Å; N58-Q274 PolarHBondContact OD1-NE2 3.07Å; A270-Q274 VanDerWaalsContact O-CG 3.3Å; A270-Q274 WeakPolarHBondContact O-CG 3.44Å; A270-Q274 PolarHBondContact O-N 3.04Å; A271-Q274 PolarHBondContact O-N 3.07Å; Q274-D277 PolarHBondContact O-N 3.01Å; Q274-G278 PolarHBondContact O-N 3.02Å
275	E	96.8	Very high	95.5	Very high	60 Å²	60	27 Å²	27	28%	0.28	18%	0.181	S	C	.	.	H	α-helix	trans	-64.5	-44.3	172.9	-78.6	-169.3	-162.7	0	0	112.4	T222 H251 P258 A271 S272 L273 G278 L279	T222-E275 HydrophobicContact CG2-CB 4.21Å; T222-E275 PolarHBondContact OG1-OE2 3.47Å; H251-E275 IonicContact NE2-OE2 3.76Å; P258-E275 WeakPolarHBondContact CA-OE1 3.47Å; A271-E275 PolarHBondContact O-N 3.46Å; S272-E275 PolarHBondContact O-N 3.02Å; L273-E275 VanDerWaalsContact C-N 3.32Å; L273-E275 PolarHBondContact O-N 3.17Å; E275-G278 PolarHBondContact O-N 3.22Å; E275-L279 PolarHBondContact O-N 3.4Å
276	L	97.8	Very high	96.5	Very high	0 Å²	0	25 Å²	25	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-61.3	-45.1	173.7	174.4	62.8	0	0	0	111.4	A39 I42 H251 M252 S272 L273 G278 L279 V280 F299	A39-L276 HydrophobicContact CB-CD2 3.85Å; I42-L276 HydrophobicContact CD1-CD2 4.2Å; H251-L276 HydrophobicContact CB-CB 4.28Å; H251-L276 HydrophobicContact CB-CD1 4.44Å; M252-L276 HydrophobicContact CG-CD2 4.11Å; M252-L276 HydrophobicContact SD-CB 4.5Å; M252-L276 HydrophobicContact SD-CD2 4.4Å; S272-L276 PolarHBondContact O-N 3.44Å; S272-L276 VanDerWaalsContact O-N 3.09Å; L273-L276 PolarHBondContact O-N 3Å; L276-G278 VanDerWaalsContact C-N 3.34Å; L276-G278 PolarHBondContact O-N 3.48Å; L276-L279 WeakPolarHBondContact O-CB 3.49Å; L276-L279 PolarHBondContact O-N 3.47Å; L276-V280 WeakPolarHBondContact O-CG2 3.4Å; L276-V280 PolarHBondContact O-N 2.85Å; L276-F299 HydrophobicContact CD2-CE2 4.44Å; L276-F299 HydrophobicContact CD2-CZ 4.5Å
277	D	98.4	Very high	97.3	Very high	3 Å²	3	19.4 Å²	19.4	2%	0.016	13%	0.13	C	C	.	.	H	α-helix	trans	-61.3	-41.9	176.6	-177.9	78.1	0	0	0	111.7	T59 P60 N61 L62 L273 Q274 L279 V280 G281	T59-D277 VanDerWaalsContact C-CG 3.5Å; T59-D277 VanDerWaalsContact CA-CG 3.43Å; T59-D277 VanDerWaalsContact CA-OD1 3.28Å; T59-D277 WeakPolarHBondContact CA-OD1 3.34Å; T59-D277 HydrophobicContact CG2-CB 4.49Å; P60-D277 WeakPolarHBondContact CD-OD2 3.35Å; P60-D277 WeakPolarHBondContact CG-OD2 3.37Å; N61-D277 WeakPolarHBondContact CB-O 3.47Å; N61-D277 VanDerWaalsContact CB-OD2 3.29Å; N61-D277 WeakPolarHBondContact CB-OD2 3.42Å; N61-D277 PolarHBondContact N-OD1 3Å; N61-D277 PolarHBondContact N-OD2 2.8Å; N61-D277 PolarHBondContact ND2-O 3.44Å; N61-D277 PolarHBondContact ND2-OD2 3.42Å; L62-D277 WeakPolarHBondContact CB-OD1 3.39Å; L62-D277 WeakPolarHBondContact CG-OD1 3.24Å; L62-D277 PolarHBondContact N-OD1 2.89Å; L273-D277 WeakPolarHBondContact O-CB 3.41Å; L273-D277 PolarHBondContact O-N 3.3Å; Q274-D277 PolarHBondContact O-N 3.01Å; D277-L279 VanDerWaalsContact C-N 3.34Å; D277-L279 PolarHBondContact O-N 3.19Å; D277-V280 WeakPolarHBondContact O-CB 3.28Å; D277-V280 PolarHBondContact O-N 2.85Å; D277-V280 VanDerWaalsContact O-N 3.17Å; D277-G281 PolarHBondContact O-N 3.22Å
278	G	98.3	Very high	97.6	Very high	33 Å²	33	18.9 Å²	18.9	34%	0.34	12%	0.121	S	C	.	.	H	α-helix	trans	-61.4	-38.4	174.2	0	0	0	0	0	113.2	Q274 E275 L276 G281 A282	Q274-G278 PolarHBondContact O-N 3.02Å; E275-G278 PolarHBondContact O-N 3.22Å; L276-G278 VanDerWaalsContact C-N 3.34Å; L276-G278 PolarHBondContact O-N 3.48Å; G278-G281 PolarHBondContact O-N 3.38Å; G278-A282 PolarHBondContact O-N 3.09Å
279	L	98.3	Very high	97.7	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-61.6	-47.3	171.3	170.9	62.5	0	0	0	111.1	R226 V247 E275 L276 D277 G281 A282 L283	R226-L279 HydrophobicContact CB-CD1 3.75Å; R226-L279 HydrophobicContact CG-CD1 3.99Å; V247-L279 HydrophobicContact CG1-CD2 4.15Å; E275-L279 PolarHBondContact O-N 3.4Å; L276-L279 WeakPolarHBondContact O-CB 3.49Å; L276-L279 PolarHBondContact O-N 3.47Å; D277-L279 VanDerWaalsContact C-N 3.34Å; D277-L279 PolarHBondContact O-N 3.19Å; L279-G281 VanDerWaalsContact C-N 3.32Å; L279-G281 PolarHBondContact O-N 2.82Å; L279-A282 PolarHBondContact O-N 3.35Å; L279-L283 HydrophobicContact CD1-CD1 4.26Å; L279-L283 HydrophobicContact CD1-CG 4.21Å; L279-L283 HydrophobicContact CG-CD1 4.25Å; L279-L283 VanDerWaalsContact O-CG 3.31Å; L279-L283 WeakPolarHBondContact O-CG 3.39Å; L279-L283 PolarHBondContact O-N 3.28Å
280	V	98.6	Very high	97.7	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-58.7	-44.5	176.5	175.1	0	0	0	0	111.2	V37 L62 M65 L276 D277 A282 L283 K284 F299	V37-V280 HydrophobicContact CG1-CG2 4.12Å; L62-V280 HydrophobicContact CD2-CG1 3.87Å; L62-V280 HydrophobicContact CD2-CG2 4.38Å; L62-V280 HydrophobicContact CG-CG1 4.26Å; M65-V280 HydrophobicContact SD-CG1 4.08Å; L276-V280 WeakPolarHBondContact O-CG2 3.4Å; L276-V280 PolarHBondContact O-N 2.85Å; D277-V280 WeakPolarHBondContact O-CB 3.28Å; D277-V280 PolarHBondContact O-N 2.85Å; D277-V280 VanDerWaalsContact O-N 3.17Å; V280-A282 PolarHBondContact O-N 2.72Å; V280-L283 PolarHBondContact O-N 2.8Å; V280-K284 WeakPolarHBondContact O-CB 3.34Å; V280-K284 PolarHBondContact O-N 3.12Å; V280-F299 HydrophobicContact CG2-CD2 3.78Å; V280-F299 HydrophobicContact CG2-CE2 3.95Å
281	G	98.7	Very high	97.7	Very high	11 Å²	11	26.6 Å²	26.6	11%	0.113	16%	0.156	C	C	.	.	H	α-helix	trans	-57.1	-45.7	175.6	0	0	0	0	0	112.8	N61 D277 G278 L279 K284 A285	N61-G281 WeakPolarHBondContact OD1-CA 3.33Å; D277-G281 PolarHBondContact O-N 3.22Å; G278-G281 PolarHBondContact O-N 3.38Å; L279-G281 VanDerWaalsContact C-N 3.32Å; L279-G281 PolarHBondContact O-N 2.82Å; G281-K284 PolarHBondContact O-N 3.03Å; G281-A285 WeakPolarHBondContact O-CB 3.29Å; G281-A285 PolarHBondContact O-N 3.29Å
282	A	98.8	Very high	97.7	Very high	22 Å²	22	30.3 Å²	30.3	18%	0.182	17%	0.17	C	C	.	.	H	α-helix	trans	-63.8	-43.1	177.8	0	0	0	0	0	112.5	R226 L230 G278 L279 V280 A285 A286	R226-A282 HydrophobicContact CG-CB 4.11Å; L230-A282 HydrophobicContact CD2-CB 4.48Å; G278-A282 PolarHBondContact O-N 3.09Å; L279-A282 PolarHBondContact O-N 3.35Å; V280-A282 PolarHBondContact O-N 2.72Å; A282-A285 PolarHBondContact O-N 3.34Å; A282-A286 PolarHBondContact O-N 2.9Å
283	L	98.7	Very high	97.7	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	19%	0.192	C	C	.	.	H	α-helix	trans	-62	-47	176.8	-65.8	171.6	0	0	0	111.4	V37 A229 I233 L245 V247 L279 V280 A286 A287	V37-L283 HydrophobicContact CG2-CD1 3.84Å; A229-L283 HydrophobicContact CB-CD2 3.53Å; I233-L283 HydrophobicContact CD1-CD2 4.03Å; L245-L283 HydrophobicContact CD2-CD2 4.46Å; V247-L283 HydrophobicContact CB-CD1 4.25Å; V247-L283 HydrophobicContact CG1-CD1 4.21Å; V247-L283 HydrophobicContact CG2-CD1 3.82Å; V247-L283 HydrophobicContact CG2-CD2 4.31Å; L279-L283 HydrophobicContact CD1-CD1 4.26Å; L279-L283 HydrophobicContact CD1-CG 4.21Å; L279-L283 HydrophobicContact CG-CD1 4.25Å; L279-L283 VanDerWaalsContact O-CG 3.31Å; L279-L283 WeakPolarHBondContact O-CG 3.39Å; L279-L283 PolarHBondContact O-N 3.28Å; V280-L283 PolarHBondContact O-N 2.8Å; L283-A286 PolarHBondContact O-N 3.21Å; L283-A287 WeakPolarHBondContact O-CB 3.32Å; L283-A287 PolarHBondContact O-N 2.72Å
284	K	98.7	Very high	97.7	Very high	15 Å²	15	33.2 Å²	33.2	7%	0.065	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-44.7	177.4	-176.6	-174.6	177.9	-59.2	0	111.4	M65 V280 G281 A286 A287 D288 I297 Y348	M65-K284 HydrophobicContact CB-CD 4.32Å; M65-K284 HydrophobicContact CG-CD 4.39Å; V280-K284 WeakPolarHBondContact O-CB 3.34Å; V280-K284 PolarHBondContact O-N 3.12Å; G281-K284 PolarHBondContact O-N 3.03Å; K284-A286 PolarHBondContact O-N 3.16Å; K284-A287 PolarHBondContact O-N 2.82Å; K284-D288 IonicContact NZ-OD2 3.95Å; K284-D288 PolarHBondContact NZ-OD2 3.39Å; K284-D288 WeakPolarHBondContact O-CB 3.24Å; K284-D288 PolarHBondContact O-N 2.83Å; K284-I297 HydrophobicContact CB-CD1 3.98Å; K284-I297 HydrophobicContact CG-CD1 4.11Å; K284-Y348 HydrophobicContact CD-CD1 4.5Å; K284-Y348 HydrophobicContact CD-CE1 4.32Å; K284-Y348 VanDerWaalsContact CE-CZ 3.42Å; K284-Y348 HydrophobicContact CG-CD1 4.28Å; K284-Y348 HydrophobicContact CG-CE1 4Å; K284-Y348 PolarHBondContact NZ-OH 2.99Å
285	A	98.8	Very high	97.8	Very high	57 Å²	57	28.7 Å²	28.7	47%	0.471	18%	0.175	S	C	.	.	H	α-helix	trans	-60.3	-45.4	178.4	0	0	0	0	0	111.8	G281 A282 D288 E289	G281-A285 WeakPolarHBondContact O-CB 3.29Å; G281-A285 PolarHBondContact O-N 3.29Å; A282-A285 PolarHBondContact O-N 3.34Å; A285-D288 PolarHBondContact O-N 2.66Å; A285-E289 WeakPolarHBondContact O-CB 3.49Å; A285-E289 PolarHBondContact O-N 2.76Å
286	A	98.7	Very high	97.9	Very high	4 Å²	4	25.9 Å²	25.9	3%	0.033	16%	0.161	C	C	.	.	H	α-helix	trans	-67.8	-37.5	178	0	0	0	0	0	112.9	L230 I233 A282 L283 K284 E289 T290	L230-A286 HydrophobicContact CD2-CB 3.48Å; L230-A286 VanDerWaalsContact CD2-CB 3.48Å; I233-A286 HydrophobicContact CD1-CB 4.2Å; I233-A286 HydrophobicContact CG2-CB 4.19Å; A282-A286 PolarHBondContact O-N 2.9Å; L283-A286 PolarHBondContact O-N 3.21Å; K284-A286 PolarHBondContact O-N 3.16Å; A286-E289 PolarHBondContact O-N 2.88Å; A286-T290 WeakPolarHBondContact O-CB 3.44Å; A286-T290 VanDerWaalsContact O-CG2 3.32Å; A286-T290 WeakPolarHBondContact O-CG2 3.29Å; A286-T290 PolarHBondContact O-N 3.16Å; A286-T290 PolarHBondContact O-OG1 3.5Å
287	A	98.3	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-63.7	-43.3	172.6	0	0	0	0	0	111.7	I35 L283 K284 T290 D291 K292 T295 I297	I35-A287 HydrophobicContact CD1-CB 3.99Å; L283-A287 WeakPolarHBondContact O-CB 3.32Å; L283-A287 PolarHBondContact O-N 2.72Å; K284-A287 PolarHBondContact O-N 2.82Å; A287-T290 PolarHBondContact O-N 2.87Å; A287-T290 PolarHBondContact O-OG1 2.92Å; A287-D291 CarbonylContact O-C 3.6Å; A287-D291 VanDerWaalsContact O-C 3.29Å; A287-D291 PolarHBondContact O-N 2.81Å; A287-K292 PolarHBondContact O-N 3.1Å; A287-K292 VanDerWaalsContact O-N 3.13Å; A287-T295 HydrophobicContact CB-CG2 3.85Å; A287-I297 HydrophobicContact CB-CD1 3.95Å
288	D	98.3	Very high	98	Very high	34 Å²	34	25.8 Å²	25.8	18%	0.182	16%	0.161	C	C	.	.	H	α-helix	trans	-63.5	-39.9	176.1	-83.2	5.1	0	0	0	111.8	K284 A285 K292 Y348	K284-D288 IonicContact NZ-OD2 3.95Å; K284-D288 PolarHBondContact NZ-OD2 3.39Å; K284-D288 WeakPolarHBondContact O-CB 3.24Å; K284-D288 PolarHBondContact O-N 2.83Å; A285-D288 PolarHBondContact O-N 2.66Å; D288-K292 HydrophobicContact CB-CB 4.45Å; D288-K292 HydrophobicContact CB-CD 4Å; D288-K292 HydrophobicContact CB-CG 4.28Å; D288-K292 WeakPolarHBondContact O-CB 3.48Å; D288-K292 WeakPolarHBondContact OD1-CG 3.2Å; D288-K292 WeakPolarHBondContact OD2-CE 3.35Å; D288-K292 IonicContact OD2-NZ 3.23Å; D288-K292 PolarHBondContact OD2-NZ 2.93Å; D288-K292 VanDerWaalsContact OD2-NZ 3.12Å; D288-Y348 WeakPolarHBondContact OD1-CE1 3.43Å; D288-Y348 PolarHBondContact OD1-OH 3.49Å; D288-Y348 VanDerWaalsContact OD1-OH 3.1Å; D288-Y348 PolarHBondContact OD2-OH 3.44Å
289	E	97.9	Very high	98	Very high	153 Å²	153	24.2 Å²	24.2	72%	0.715	15%	0.145	S	C	*	.	H	α-helix	trans	-67.3	-39.4	177.7	-173.5	-174.5	166	0	0	112.1	A285 A286	A285-E289 WeakPolarHBondContact O-CB 3.49Å; A285-E289 PolarHBondContact O-N 2.76Å; A286-E289 PolarHBondContact O-N 2.88Å
290	T	96.5	Very high	98	Very high	16 Å²	16	24.1 Å²	24.1	10%	0.098	14%	0.144	C	C	.	.	H	α-helix	trans	-91.7	-39.5	-170.9	55.9	0	0	0	0	114.1	I233 R237 A286 A287	I233-T290 HydrophobicContact CG2-CG2 4.18Å; R237-T290 HydrophobicContact CB-CG2 4.05Å; R237-T290 HydrophobicContact CG-CG2 3.99Å; R237-T290 PolarHBondContact NE-O 3.19Å; A286-T290 WeakPolarHBondContact O-CB 3.44Å; A286-T290 VanDerWaalsContact O-CG2 3.32Å; A286-T290 WeakPolarHBondContact O-CG2 3.29Å; A286-T290 PolarHBondContact O-N 3.16Å; A286-T290 PolarHBondContact O-OG1 3.5Å; A287-T290 PolarHBondContact O-N 2.87Å; A287-T290 PolarHBondContact O-OG1 2.92Å
291	D	95.1	Very high	98	Very high	30 Å²	30	24.1 Å²	24.1	16%	0.16	15%	0.145	C	C	.	.	H	α-helix	trans	-164.2	49.2	-172.6	-152.7	16.5	0	0	0	113.8	K30 N33 A287 G293 N294 T295	K30-D291 VanDerWaalsContact CE-OD2 3.28Å; K30-D291 WeakPolarHBondContact CE-OD2 3.36Å; K30-D291 IonicContact NZ-OD1 3.63Å; K30-D291 PolarHBondContact NZ-OD1 3.33Å; K30-D291 IonicContact NZ-OD2 3.12Å; K30-D291 PolarHBondContact NZ-OD2 2.8Å; N33-D291 PolarHBondContact ND2-OD2 3.13Å; A287-D291 CarbonylContact O-C 3.6Å; A287-D291 VanDerWaalsContact O-C 3.29Å; A287-D291 PolarHBondContact O-N 2.81Å; D291-G293 PolarHBondContact O-N 2.89Å; D291-N294 CarbonylContact O-C 2.99Å; D291-N294 PolarHBondContact O-N 3.28Å; D291-N294 WeakPolarHBondContact OD1-CB 3.45Å; D291-N294 WeakPolarHBondContact OD2-CB 3.21Å; D291-N294 PolarHBondContact OD2-ND2 2.65Å; D291-T295 PolarHBondContact O-N 3.24Å; D291-T295 PolarHBondContact O-OG1 2.8Å
292	K	95.8	Very high	98	Very high	95 Å²	95	23.6 Å²	23.6	41%	0.413	14%	0.139	S	C	.	.	G	3₁₀ helix	trans	-41.2	-57.6	-173.3	-172.5	157.2	-170.9	162.4	0	115.8	A287 D288 N294 Y348 P350	A287-K292 PolarHBondContact O-N 3.1Å; A287-K292 VanDerWaalsContact O-N 3.13Å; D288-K292 HydrophobicContact CB-CB 4.45Å; D288-K292 HydrophobicContact CB-CD 4Å; D288-K292 HydrophobicContact CB-CG 4.28Å; D288-K292 WeakPolarHBondContact O-CB 3.48Å; D288-K292 WeakPolarHBondContact OD1-CG 3.2Å; D288-K292 WeakPolarHBondContact OD2-CE 3.35Å; D288-K292 IonicContact OD2-NZ 3.23Å; D288-K292 PolarHBondContact OD2-NZ 2.93Å; D288-K292 VanDerWaalsContact OD2-NZ 3.12Å; K292-N294 PolarHBondContact O-N 3.05Å; K292-Y348 VanDerWaalsContact CE-OH 3.32Å; K292-Y348 WeakPolarHBondContact CE-OH 3.44Å; K292-P350 HydrophobicContact CD-CG 4.38Å; K292-P350 HydrophobicContact CG-CB 4.35Å; K292-P350 HydrophobicContact CG-CG 3.46Å; K292-P350 VanDerWaalsContact CG-CG 3.46Å; K292-P350 WeakPolarHBondContact O-CD 3.31Å; K292-P350 VanDerWaalsContact O-CG 3.24Å; K292-P350 WeakPolarHBondContact O-CG 3.19Å
293	G	95.9	Very high	97.9	Very high	45 Å²	45	22.6 Å²	22.6	46%	0.464	13%	0.131	S	C	.	.	G	3₁₀ helix	trans	-75.8	-4.3	-174.3	0	0	0	0	0	114.5	D291 W349	D291-G293 PolarHBondContact O-N 2.89Å; G293-W349 PolarHBondContact O-NE1 3.43Å
294	N	97.5	Very high	97.9	Very high	19 Å²	19	22.5 Å²	22.5	10%	0.102	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-124.3	12.2	-173.7	-170.1	60.2	0	0	0	112.1	K30 K31 P32 N33 D291 K292	K30-N294 WeakPolarHBondContact CD-ND2 3.35Å; K30-N294 WeakPolarHBondContact CE-ND2 3.15Å; K30-N294 PolarHBondContact O-OD1 3.07Å; K31-N294 PolarHBondContact O-ND2 2.99Å; P32-N294 CarbonylContact C-O 3.5Å; P32-N294 VanDerWaalsContact CA-O 3.32Å; P32-N294 WeakPolarHBondContact CA-O 3.27Å; P32-N294 WeakPolarHBondContact CA-OD1 3.26Å; N33-N294 PolarHBondContact N-O 2.95Å; D291-N294 CarbonylContact O-C 2.99Å; D291-N294 PolarHBondContact O-N 3.28Å; D291-N294 WeakPolarHBondContact OD1-CB 3.45Å; D291-N294 WeakPolarHBondContact OD2-CB 3.21Å; D291-N294 PolarHBondContact OD2-ND2 2.65Å; K292-N294 PolarHBondContact O-N 3.05Å
295	T	98.6	Very high	97.8	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.012	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	119.6	179.7	-53.7	0	0	0	0	110.1	N33 I35 A287 D291 I297	N33-T295 HydrophobicContact CB-CG2 4.01Å; N33-T295 PolarHBondContact ND2-OG1 2.99Å; N33-T295 WeakPolarHBondContact O-CA 3.23Å; I35-T295 HydrophobicContact CD1-CG2 4.05Å; I35-T295 HydrophobicContact CG1-CG2 4.16Å; A287-T295 HydrophobicContact CB-CG2 3.85Å; D291-T295 PolarHBondContact O-N 3.24Å; D291-T295 PolarHBondContact O-OG1 2.8Å; T295-I297 HydrophobicContact CG2-CG1 4.27Å
296	L	98.9	Very high	97.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	131.8	168.2	177.6	149.7	0	0	0	109	N33 F34 I35 I36 W298 V347 Y348 W349 L375 L395	N33-L296 PolarHBondContact O-N 2.84Å; F34-L296 HydrophobicContact CD1-CB 4.1Å; F34-L296 HydrophobicContact CD1-CD2 4.31Å; I35-L296 PolarHBondContact N-O 3.4Å; I36-L296 HydrophobicContact CD1-CD2 4.41Å; L296-W298 HydrophobicContact CD2-CB 4.01Å; L296-W298 HydrophobicContact CD2-CE3 4.28Å; L296-V347 HydrophobicContact CD1-CG1 4.27Å; L296-V347 HydrophobicContact CG-CG1 4.28Å; L296-Y348 WeakPolarHBondContact CA-O 3.34Å; L296-W349 HydrophobicContact CB-CB 4.44Å; L296-W349 HydrophobicContact CB-CD2 3.92Å; L296-W349 HydrophobicContact CB-CE3 3.72Å; L296-W349 HydrophobicContact CB-CG 4.3Å; L296-W349 HydrophobicContact CB-CZ3 4.18Å; L296-W349 HydrophobicContact CD1-CE3 3.63Å; L296-W349 HydrophobicContact CD1-CZ3 4.01Å; L296-W349 HydrophobicContact CG-CE3 4.18Å; L296-L375 HydrophobicContact CD1-CD1 3.93Å; L296-L395 HydrophobicContact CD1-CD1 4.42Å
297	I	98.9	Very high	97.4	Very high	2 Å²	2	22.7 Å²	22.7	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.8	170.7	-49.4	-177.6	0	0	0	108.5	I35 V37 M65 K284 A287 T295 V347 Y348	I35-I297 HydrophobicContact CB-CB 4.49Å; I35-I297 HydrophobicContact CB-CG1 4.19Å; I35-I297 HydrophobicContact CB-CG2 4.26Å; I35-I297 HydrophobicContact CD1-CD1 4.33Å; I35-I297 HydrophobicContact CD1-CG1 4.24Å; I35-I297 HydrophobicContact CG2-CG2 4.29Å; I35-I297 CarbonylContact O-C 3.42Å; I35-I297 VanDerWaalsContact O-CA 3.29Å; I35-I297 WeakPolarHBondContact O-CA 3.25Å; V37-I297 HydrophobicContact CG2-CG2 4.49Å; M65-I297 HydrophobicContact CE-CB 3.85Å; M65-I297 HydrophobicContact CE-CG2 3.62Å; M65-I297 VanDerWaalsContact CE-O 3.3Å; M65-I297 WeakPolarHBondContact CE-O 3.29Å; M65-I297 HydrophobicContact SD-CG2 4.35Å; K284-I297 HydrophobicContact CB-CD1 3.98Å; K284-I297 HydrophobicContact CG-CD1 4.11Å; A287-I297 HydrophobicContact CB-CD1 3.95Å; T295-I297 HydrophobicContact CG2-CG1 4.27Å; I297-V347 CarbonylContact O-C 3.48Å; I297-V347 WeakPolarHBondContact O-CA 3.36Å; I297-Y348 HydrophobicContact CB-CD1 4.45Å; I297-Y348 HydrophobicContact CD1-CD1 4.03Å; I297-Y348 HydrophobicContact CG1-CD1 4.22Å; I297-Y348 PolarHBondContact N-O 3.47Å; I297-Y348 PolarHBondContact O-N 3.17Å
298	W	98.9	Very high	97.1	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	110.9	177.5	-161.6	-43.4	0	0	0	109.3	I35 I36 V37 L72 Y75 L296 T345 V347 I368 T371 V391 L395	I35-W298 PolarHBondContact O-N 3.4Å; I36-W298 CarbonylContact C-O 3.59Å; I36-W298 WeakPolarHBondContact CA-O 3.41Å; I36-W298 HydrophobicContact CD1-CB 3.6Å; I36-W298 HydrophobicContact CD1-CG 4.4Å; V37-W298 PolarHBondContact N-O 3.27Å; L72-W298 HydrophobicContact CD1-CZ2 4.15Å; Y75-W298 AromaticContact CE2-CZ2 3.64Å; Y75-W298 HydrophobicContact CE2-CZ2 3.64Å; Y75-W298 AromaticContact CZ-CZ2 3.95Å; Y75-W298 AromaticContact CZ-NE1 3.91Å; L296-W298 HydrophobicContact CD2-CB 4.01Å; L296-W298 HydrophobicContact CD2-CE3 4.28Å; W298-T345 VanDerWaalsContact NE1-CG2 3.31Å; W298-V347 HydrophobicContact CD2-CG1 4.35Å; W298-V347 HydrophobicContact CD2-CG2 3.88Å; W298-V347 HydrophobicContact CE3-CG1 4.38Å; W298-V347 HydrophobicContact CE3-CG2 4.49Å; W298-V347 HydrophobicContact CG-CG1 4.48Å; W298-V347 HydrophobicContact CG-CG2 4Å; W298-V347 HydrophobicContact CZ2-CG2 4.28Å; W298-I368 HydrophobicContact CD2-CG1 4.12Å; W298-I368 HydrophobicContact CE3-CG1 4.24Å; W298-I368 HydrophobicContact CH2-CG1 4.26Å; W298-I368 HydrophobicContact CZ2-CG1 4.16Å; W298-I368 HydrophobicContact CZ3-CG1 4.29Å; W298-T371 HydrophobicContact CZ3-CG2 4.21Å; W298-V391 HydrophobicContact CH2-CG2 3.83Å; W298-L395 HydrophobicContact CE3-CD1 4.38Å; W298-L395 HydrophobicContact CH2-CD1 4.09Å; W298-L395 HydrophobicContact CH2-CD2 4.44Å; W298-L395 HydrophobicContact CZ3-CD1 3.68Å
299	F	98.9	Very high	96.8	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.3	173.4	175.3	-87.2	0	0	0	110.1	V37 A39 I42 L47 L62 M65 L276 V280 P344 T345 V346	V37-F299 HydrophobicContact CB-CB 4.49Å; V37-F299 HydrophobicContact CB-CD2 3.92Å; V37-F299 HydrophobicContact CG1-CD2 3.7Å; V37-F299 HydrophobicContact CG1-CE2 4.11Å; V37-F299 WeakPolarHBondContact O-CA 3.37Å; A39-F299 HydrophobicContact CB-CE2 4.28Å; A39-F299 HydrophobicContact CB-CZ 4.18Å; I42-F299 HydrophobicContact CD1-CE1 4.31Å; I42-F299 HydrophobicContact CD1-CZ 3.81Å; L47-F299 HydrophobicContact CD1-CE1 3.86Å; L47-F299 HydrophobicContact CD1-CZ 4.33Å; L47-F299 HydrophobicContact CD2-CE1 4.28Å; L62-F299 HydrophobicContact CD1-CE1 4.13Å; L62-F299 HydrophobicContact CD1-CE2 4.1Å; L62-F299 HydrophobicContact CD1-CZ 3.85Å; L62-F299 HydrophobicContact CD2-CB 4.03Å; L62-F299 HydrophobicContact CD2-CD1 3.68Å; L62-F299 HydrophobicContact CD2-CD2 3.72Å; L62-F299 HydrophobicContact CD2-CE1 4.05Å; L62-F299 HydrophobicContact CD2-CE2 4.07Å; L62-F299 HydrophobicContact CD2-CG 3.51Å; L62-F299 HydrophobicContact CD2-CZ 4.22Å; M65-F299 HydrophobicContact CE-CB 4.27Å; L276-F299 HydrophobicContact CD2-CE2 4.44Å; L276-F299 HydrophobicContact CD2-CZ 4.5Å; V280-F299 HydrophobicContact CG2-CD2 3.78Å; V280-F299 HydrophobicContact CG2-CE2 3.95Å; F299-P344 HydrophobicContact CE1-CG 4.42Å; F299-T345 VanDerWaalsContact O-CA 3.32Å; F299-T345 WeakPolarHBondContact O-CA 3.23Å; F299-T345 WeakPolarHBondContact O-CG2 3.16Å; F299-V346 PolarHBondContact N-O 3.48Å; F299-V346 PolarHBondContact O-N 2.78Å
300	T	98.8	Very high	96.7	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	177.8	173.2	-163.5	0	0	0	0	112.2	V37 L38 A39 Y75 V343 P344 T345 I368	V37-T300 PolarHBondContact O-N 3.47Å; L38-T300 WeakPolarHBondContact CA-O 3.45Å; L38-T300 HydrophobicContact CD1-CG2 3.8Å; A39-T300 PolarHBondContact N-O 2.93Å; Y75-T300 HydrophobicContact CE1-CG2 4.32Å; Y75-T300 VanDerWaalsContact CE1-OG1 3.23Å; Y75-T300 WeakPolarHBondContact CE1-OG1 3.19Å; T300-V343 WeakPolarHBondContact OG1-CG2 3.45Å; T300-P344 WeakPolarHBondContact CA-O 3.09Å; T300-T345 PolarHBondContact OG1-OG1 2.75Å; T300-I368 HydrophobicContact CG2-CD1 4.33Å
301	G	97.8	Very high	96.5	Very high	1 Å²	1	20.6 Å²	20.6	1%	0.01	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	154.7	175	0	0	0	0	0	113.3	A39	A39-G301 CarbonylContact O-C 3.44Å; A39-G301 WeakPolarHBondContact O-CA 3.36Å
302	D	97.4	Very high	96.5	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.107	C	C	.	.	S	Bend	trans	-85.4	-19.1	174.2	70.9	-12.9	0	0	0	114	L38 A39 D40 D41 S77 S85 R86	L38-D302 HydrophobicContact CD1-CB 3.98Å; L38-D302 HydrophobicContact CD2-CB 4.11Å; L38-D302 HydrophobicContact CG-CB 4.04Å; A39-D302 PolarHBondContact O-N 3.47Å; D40-D302 WeakPolarHBondContact CA-OD1 3.25Å; D41-D302 PolarHBondContact N-OD1 3.08Å; S77-D302 WeakPolarHBondContact CB-O 3.38Å; S77-D302 VanDerWaalsContact OG-C 3.26Å; S77-D302 PolarHBondContact OG-O 3.34Å; S85-D302 WeakPolarHBondContact CB-O 3.37Å; S85-D302 PolarHBondContact OG-O 3.23Å; R86-D302 IonicContact CZ-OD2 3.97Å; R86-D302 VanDerWaalsContact CZ-OD2 3.23Å; R86-D302 IonicContact NE-OD2 2.76Å; R86-D302 PolarHBondContact NE-OD2 3.33Å; R86-D302 IonicContact NH2-OD2 2.72Å; R86-D302 PolarHBondContact NH2-OD2 3.37Å
303	N	98.2	Very high	96.5	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.094	C	C	.	.	S	Bend	trans	-168.8	174.2	169.5	46.4	-115.4	0	0	0	109.4	D41 I42 S80 T81 C82	D41-N303 PolarHBondContact OD1-ND2 3.32Å; I42-N303 VanDerWaalsContact O-O 3.04Å; S80-N303 VanDerWaalsContact C-CB 3.43Å; T81-N303 WeakPolarHBondContact CA-OD1 3.37Å; C82-N303 PolarHBondContact N-OD1 3.03Å; C82-N303 VanDerWaalsContact N-OD1 3.16Å
304	G	97.8	Very high	96.5	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.08	C	C	.	.			trans	-64.9	176.4	172.3	0	0	0	0	0	113.8	G339 G340	G304-G339 WeakPolarHBondContact CA-O 3.48Å; G304-G340 PolarHBondContact N-O 2.88Å
305	P	97.3	Very high	96.4	Very high	1 Å²	1	15.7 Å²	15.7	1%	0.006	9%	0.087	C	C	.	.			trans	-71.5	152.2	-172.9	30.8	-32.8	0	0	0	112.2	D41 E307 G314 V316 A332 K333 G339	D41-P305 VanDerWaalsContact O-CA 3.3Å; D41-P305 WeakPolarHBondContact O-CA 3.47Å; P305-E307 VanDerWaalsContact C-N 3.34Å; P305-E307 PolarHBondContact O-N 2.89Å; P305-G314 WeakPolarHBondContact CB-O 3.47Å; P305-G314 WeakPolarHBondContact CG-O 3.33Å; P305-V316 HydrophobicContact CG-CG1 3.56Å; P305-A332 HydrophobicContact CG-CB 4.02Å; P305-A332 WeakPolarHBondContact O-CB 3.31Å; P305-K333 VanDerWaalsContact O-CB 3.31Å; P305-K333 WeakPolarHBondContact O-CB 3.36Å; P305-K333 PolarHBondContact O-N 3.25Å; P305-G339 WeakPolarHBondContact CD-O 3.49Å
306	W	95.1	Very high	96.3	Very high	20 Å²	20	16.8 Å²	16.8	8%	0.076	9%	0.093	C	C	.	.			trans	-84.6	77.1	178	-162.2	-0.1	0	0	0	111.5	H253 V254 E308 K309 A313 K333	H253-W306 AromaticContact CE1-CE3 3.83Å; H253-W306 AromaticContact CE1-CZ3 3.41Å; H253-W306 VanDerWaalsContact CE1-CZ3 3.41Å; H253-W306 WeakPolarHBondContact CE1-CZ3 3.07Å; H253-W306 AromaticContact NE2-CE3 3.88Å; H253-W306 AromaticContact NE2-CZ3 3.74Å; V254-W306 HydrophobicContact CG2-CE3 3.8Å; V254-W306 HydrophobicContact CG2-CZ3 3.84Å; W306-E308 PolarHBondContact O-N 2.67Å; W306-K309 HydrophobicContact CB-CG 4.04Å; W306-K309 HydrophobicContact CD2-CD 4.36Å; W306-K309 HydrophobicContact CD2-CG 3.78Å; W306-K309 HydrophobicContact CE3-CD 4.44Å; W306-K309 HydrophobicContact CE3-CG 3.96Å; W306-K309 HydrophobicContact CG-CG 3.82Å; W306-K309 VanDerWaalsContact O-CB 3.26Å; W306-K309 WeakPolarHBondContact O-CB 3.1Å; W306-K309 WeakPolarHBondContact O-CG 3.45Å; W306-K309 PolarHBondContact O-N 2.92Å; W306-A313 WeakPolarHBondContact O-CB 3.21Å; W306-K333 HydrophobicContact CB-CB 4.43Å; W306-K333 HydrophobicContact CB-CD 3.71Å; W306-K333 HydrophobicContact CD2-CD 4.11Å; W306-K333 HydrophobicContact CG-CD 3.69Å
307	E	93	Very high	96.2	Very high	58 Å²	58	17.4 Å²	17.4	27%	0.271	10%	0.099	S	C	.	.	G	3₁₀ helix	trans	-51.6	-31.3	-172.8	-175.6	178	-161.3	0	0	114.9	P305 K309 C310 G330 S331 A332 C440	P305-E307 VanDerWaalsContact C-N 3.34Å; P305-E307 PolarHBondContact O-N 2.89Å; E307-K309 PolarHBondContact O-N 3.07Å; E307-C310 PolarHBondContact O-N 3.4Å; E307-G330 WeakPolarHBondContact OE2-CA 3.31Å; E307-S331 PolarHBondContact OE2-N 3.1Å; E307-A332 HydrophobicContact CB-CB 3.96Å; E307-C440 HydrophobicContact CG-CB 4.45Å; E307-C440 WeakPolarHBondContact O-CB 3.33Å
308	E	92.3	Very high	96.1	Very high	56 Å²	56	19.9 Å²	19.9	26%	0.262	12%	0.116	S	C	.	.	G	3₁₀ helix	trans	-55	-20.2	173.3	-67	178	-143.2	0	0	113.7	W306 C310 A438	W306-E308 PolarHBondContact O-N 2.67Å; E308-C310 VanDerWaalsContact C-N 3.31Å; E308-A438 HydrophobicContact CG-CB 3.74Å; E308-A438 WeakPolarHBondContact CG-O 3.32Å
309	K	93.4	Very high	96	Very high	3 Å²	3	20 Å²	20	1%	0.013	12%	0.116	C	C	.	.	G	3₁₀ helix	trans	-88	3.3	179.7	-53.3	-58.2	-169.2	155.8	0	113.6	D172 L173 G195 V254 W306 E307 Q311 F312 A313	D172-K309 WeakPolarHBondContact OD1-CD 2.99Å; D172-K309 WeakPolarHBondContact OD1-CE 3.38Å; D172-K309 IonicContact OD1-NZ 3.93Å; D172-K309 PolarHBondContact OD1-NZ 2.97Å; D172-K309 IonicContact OD2-NZ 3.2Å; D172-K309 PolarHBondContact OD2-NZ 3.31Å; L173-K309 WeakPolarHBondContact O-CD 3.35Å; L173-K309 PolarHBondContact O-NZ 2.81Å; G195-K309 PolarHBondContact O-NZ 2.79Å; V254-K309 HydrophobicContact CG1-CB 4.06Å; V254-K309 HydrophobicContact CG1-CG 4.13Å; V254-K309 HydrophobicContact CG2-CD 3.82Å; V254-K309 HydrophobicContact CG2-CG 3.71Å; W306-K309 HydrophobicContact CB-CG 4.04Å; W306-K309 HydrophobicContact CD2-CD 4.36Å; W306-K309 HydrophobicContact CD2-CG 3.78Å; W306-K309 HydrophobicContact CE3-CD 4.44Å; W306-K309 HydrophobicContact CE3-CG 3.96Å; W306-K309 HydrophobicContact CG-CG 3.82Å; W306-K309 VanDerWaalsContact O-CB 3.26Å; W306-K309 WeakPolarHBondContact O-CB 3.1Å; W306-K309 WeakPolarHBondContact O-CG 3.45Å; W306-K309 PolarHBondContact O-N 2.92Å; E307-K309 PolarHBondContact O-N 3.07Å; K309-Q311 PolarHBondContact O-N 2.59Å; K309-F312 HydrophobicContact CB-CB 4.41Å; K309-F312 PolarHBondContact O-N 2.73Å; K309-A313 HydrophobicContact CB-CB 4.34Å
310	C	93.8	Very high	95.9	Very high	26 Å²	26	22.2 Å²	22.2	18%	0.176	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	52.4	-119.3	170.5	-63.2	0	0	0	0	112.8	L173 E307 E308 F312 A313 C440	L173-C310 HydrophobicContact CD2-CB 3.67Å; L173-C310 VanDerWaalsContact CD2-SG 3.59Å; E307-C310 PolarHBondContact O-N 3.4Å; E308-C310 VanDerWaalsContact C-N 3.31Å; C310-F312 PolarHBondContact O-N 3.17Å; C310-A313 WeakPolarHBondContact O-CB 3.36Å; C310-A313 PolarHBondContact O-N 3.46Å; C310-C440 VanDerWaalsContact CA-SG 3.53Å; C310-C440 HydrophobicContact CB-CB 4.09Å; C310-C440 WeakPolarHBondContact CB-SG 3.49Å; C310-C440 WeakPolarHBondContact SG-CA 3.46Å; C310-C440 WeakPolarHBondContact SG-CB 3.47Å; C310-C440 PolarHBondContact SG-O 3.29Å; C310-C440 CovalentContact SG-SG 2.03Å; C310-C440 PolarHBondContact SG-SG 3.31Å
311	Q	93.4	Very high	95.8	Very high	75 Å²	75	22.2 Å²	22.2	35%	0.35	13%	0.13	S	C	.	.	G	3₁₀ helix	trans	-64.4	-8.2	-178.3	72.7	-91.2	4.2	0	0	114.5	K309	K309-Q311 PolarHBondContact O-N 2.59Å
312	F	95	Very high	95.7	Very high	17 Å²	17	26.2 Å²	26.2	8%	0.075	15%	0.147	C	C	.	.	G	3₁₀ helix	trans	-101.9	9.9	173.8	-52	-50.6	0	0	0	113	Y171 D172 L173 V254 L256 V268 Y269 K309 C310	Y171-F312 HydrophobicContact CG-CE1 4.39Å; D172-F312 WeakPolarHBondContact O-CE2 3.36Å; L173-F312 HydrophobicContact CB-CD2 4.02Å; L173-F312 HydrophobicContact CB-CE2 4.24Å; V254-F312 HydrophobicContact CG1-CB 3.69Å; L256-F312 HydrophobicContact CD1-CB 4.02Å; L256-F312 HydrophobicContact CD1-CD1 4.39Å; V268-F312 HydrophobicContact CB-CD1 4.1Å; V268-F312 HydrophobicContact CB-CE1 3.98Å; V268-F312 HydrophobicContact CG1-CD1 3.98Å; V268-F312 HydrophobicContact CG1-CE1 4.05Å; V268-F312 HydrophobicContact CG2-CE1 4.09Å; Y269-F312 WeakPolarHBondContact CD2-O 3.34Å; K309-F312 HydrophobicContact CB-CB 4.41Å; K309-F312 PolarHBondContact O-N 2.73Å; C310-F312 PolarHBondContact O-N 3.17Å
313	A	95.6	Very high	95.7	Very high	19 Å²	19	27.4 Å²	27.4	16%	0.157	15%	0.151	C	C	.	.	S	Bend	trans	-106.9	154	176.7	0	0	0	0	0	111.6	Y269 W306 K309 C310	Y269-A313 VanDerWaalsContact CE2-C 3.46Å; W306-A313 WeakPolarHBondContact O-CB 3.21Å; K309-A313 HydrophobicContact CB-CB 4.34Å; C310-A313 WeakPolarHBondContact O-CB 3.36Å; C310-A313 PolarHBondContact O-N 3.46Å
314	G	95.4	Very high	95.5	Very high	16 Å²	16	27.4 Å²	27.4	17%	0.165	15%	0.152	C	C	.	.			trans	-76.5	-179.9	175.3	0	0	0	0	0	115.2	D46 Y269 P305	D46-G314 WeakPolarHBondContact OD1-CA 3.44Å; D46-G314 WeakPolarHBondContact OD2-CA 3.44Å; Y269-G314 VanDerWaalsContact CE2-N 3.25Å; Y269-G314 WeakPolarHBondContact OH-CA 3.29Å; P305-G314 WeakPolarHBondContact CB-O 3.47Å; P305-G314 WeakPolarHBondContact CG-O 3.33Å
315	S	96	Very high	95.4	Very high	34 Å²	34	29.9 Å²	29.9	24%	0.238	17%	0.166	C	C	.	.			trans	-98.6	126.9	-177.8	-172.6	0	0	0	0	111.8	G43 W44 G45 D46 Q51 G317	G43-S315 CarbonylContact C-O 3.44Å; G43-S315 VanDerWaalsContact CA-O 3.23Å; G43-S315 WeakPolarHBondContact CA-O 3.49Å; W44-S315 PolarHBondContact N-O 3.08Å; G45-S315 WeakPolarHBondContact CA-O 3.37Å; G45-S315 PolarHBondContact N-O 2.89Å; D46-S315 PolarHBondContact OD1-N 3.32Å; Q51-S315 PolarHBondContact NE2-OG 2.99Å; S315-G317 PolarHBondContact O-N 3.25Å; S315-G317 PolarHBondContact OG-N 2.97Å
316	V	96.8	Very high	95.4	Very high	24 Å²	24	34.5 Å²	34.5	15%	0.145	20%	0.199	C	C	.	.			trans	-72.9	-3.7	169.1	-62.2	0	0	0	0	113.4	P305 F319 T320 A332	P305-V316 HydrophobicContact CG-CG1 3.56Å; V316-F319 WeakPolarHBondContact O-CD2 3.42Å; V316-F319 PolarHBondContact O-N 3.06Å; V316-T320 HydrophobicContact CG2-CG2 4.12Å; V316-A332 HydrophobicContact CG1-CB 3.86Å
317	G	96.3	Very high	95.4	Very high	13 Å²	13	37.9 Å²	37.9	13%	0.134	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.4	-132.7	-173.4	0	0	0	0	0	111.4	S315 F319	S315-G317 PolarHBondContact O-N 3.25Å; S315-G317 PolarHBondContact OG-N 2.97Å; G317-F319 PolarHBondContact O-N 3.42Å
318	P	96.2	Very high	95.2	Very high	54 Å²	54	36.5 Å²	36.5	35%	0.351	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-13.6	179.4	31.6	-35	0	0	0	113.6	W44 T320 D462 A463	W44-P318 HydrophobicContact CZ3-CG 4.44Å; P318-T320 PolarHBondContact O-N 2.71Å; P318-D462 HydrophobicContact CB-CB 4.29Å; P318-A463 WeakPolarHBondContact O-CA 3.47Å; P318-A463 VanDerWaalsContact O-CB 3.22Å; P318-A463 WeakPolarHBondContact O-CB 3.33Å
319	F	97.4	Very high	95.3	Very high	4 Å²	4	33.8 Å²	33.8	2%	0.018	20%	0.203	C	C	.	.			trans	-82.3	55.3	-171.4	-54.1	-57	0	0	0	113.3	W44 V316 G317 G321 E338 G339 R342 D462	W44-F319 HydrophobicContact CB-CD2 4.06Å; W44-F319 HydrophobicContact CB-CE2 4.15Å; W44-F319 AromaticContact CD1-CE2 3.97Å; W44-F319 HydrophobicContact CD2-CD2 4.26Å; W44-F319 AromaticContact CD2-CE2 3.54Å; W44-F319 HydrophobicContact CD2-CE2 3.54Å; W44-F319 AromaticContact CE2-CE2 3.85Å; W44-F319 HydrophobicContact CE3-CD2 4.48Å; W44-F319 AromaticContact CE3-CE2 3.88Å; W44-F319 HydrophobicContact CE3-CE2 3.88Å; W44-F319 HydrophobicContact CG-CD2 4.07Å; W44-F319 AromaticContact CG-CE2 3.64Å; W44-F319 HydrophobicContact CG-CE2 3.64Å; W44-F319 HydrophobicContact CZ2-CE2 4.47Å; W44-F319 HydrophobicContact CZ3-CE2 4.48Å; V316-F319 WeakPolarHBondContact O-CD2 3.42Å; V316-F319 PolarHBondContact O-N 3.06Å; G317-F319 PolarHBondContact O-N 3.42Å; F319-G321 VanDerWaalsContact C-N 3.28Å; F319-G321 PolarHBondContact O-N 2.95Å; F319-E338 HydrophobicContact CB-CB 3.65Å; F319-E338 HydrophobicContact CD1-CB 3.79Å; F319-E338 HydrophobicContact CD1-CG 4.24Å; F319-E338 HydrophobicContact CG-CB 3.85Å; F319-G339 PolarHBondContact O-N 3.01Å; F319-R342 VanDerWaalsContact CE2-CD 3.43Å; F319-R342 HydrophobicContact CE2-CG 4.32Å; F319-R342 VanDerWaalsContact CZ-CD 3.49Å; F319-D462 HydrophobicContact CD1-CB 3.99Å; F319-D462 WeakPolarHBondContact CD1-O 3.13Å; F319-D462 HydrophobicContact CE1-CB 3.69Å
320	T	96.8	Very high	95.4	Very high	46 Å²	46	33.7 Å²	33.7	28%	0.282	20%	0.203	S	C	.	.			trans	-80.2	-0.7	-168.5	62.4	0	0	0	0	115.2	V316 P318 K322 T325 S331 A463	V316-T320 HydrophobicContact CG2-CG2 4.12Å; P318-T320 PolarHBondContact O-N 2.71Å; T320-K322 VanDerWaalsContact C-N 3.27Å; T320-K322 PolarHBondContact O-N 3.03Å; T320-K322 WeakPolarHBondContact OG1-CG 3.47Å; T320-T325 VanDerWaalsContact O-CG2 3.24Å; T320-T325 WeakPolarHBondContact O-CG2 3.43Å; T320-T325 PolarHBondContact O-OG1 2.82Å; T320-S331 PolarHBondContact O-OG 3.24Å; T320-S331 VanDerWaalsContact O-OG 3.12Å; T320-A463 WeakPolarHBondContact OG1-CB 3.42Å
321	G	96.6	Very high	95.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	20%	0.195	C	C	.	.			trans	48.8	47.4	179.4	0	0	0	0	0	112.8	F319 W323 Q324 T325 A463	F319-G321 VanDerWaalsContact C-N 3.28Å; F319-G321 PolarHBondContact O-N 2.95Å; G321-W323 PolarHBondContact O-N 3.16Å; G321-W323 VanDerWaalsContact O-N 3.08Å; G321-Q324 WeakPolarHBondContact O-CA 3.45Å; G321-Q324 VanDerWaalsContact O-CB 3.3Å; G321-Q324 WeakPolarHBondContact O-CB 3.46Å; G321-Q324 PolarHBondContact O-N 2.91Å; G321-T325 PolarHBondContact O-N 2.95Å; G321-T325 PolarHBondContact O-OG1 2.88Å; G321-A463 CarbonylContact C-O 3.56Å; G321-A463 WeakPolarHBondContact CA-O 3.41Å; G321-A463 PolarHBondContact N-O 3.12Å; G321-A463 VanDerWaalsContact N-O 3.1Å
322	K	97	Very high	95.6	Very high	84 Å²	84	29 Å²	29	37%	0.365	18%	0.179	S	C	.	.	H	α-helix	trans	-53.5	-33.7	-169.3	-83.7	-172.8	-179.9	172.6	0	114.2	T320 Q324 T325 S326 A463 E465	T320-K322 VanDerWaalsContact C-N 3.27Å; T320-K322 PolarHBondContact O-N 3.03Å; T320-K322 WeakPolarHBondContact OG1-CG 3.47Å; K322-Q324 PolarHBondContact O-N 2.83Å; K322-T325 VanDerWaalsContact CA-OG1 3.31Å; K322-T325 WeakPolarHBondContact CA-OG1 3.3Å; K322-S326 WeakPolarHBondContact O-CB 3.47Å; K322-S326 PolarHBondContact O-N 2.93Å; K322-S326 PolarHBondContact O-OG 2.87Å; K322-A463 HydrophobicContact CD-CB 4.31Å; K322-A463 HydrophobicContact CG-CB 4.18Å; K322-A463 PolarHBondContact N-O 3.02Å; K322-E465 HydrophobicContact CB-CB 3.72Å; K322-E465 HydrophobicContact CB-CG 3.83Å; K322-E465 HydrophobicContact CD-CB 4.01Å; K322-E465 VanDerWaalsContact CD-CD 3.45Å; K322-E465 HydrophobicContact CD-CG 3.93Å; K322-E465 WeakPolarHBondContact CD-OE2 3.37Å; K322-E465 IonicContact NZ-OE2 3.11Å; K322-E465 PolarHBondContact NZ-OE2 3.18Å
323	W	96.2	Very high	95.7	Very high	25 Å²	25	28.9 Å²	28.9	10%	0.095	18%	0.178	C	C	.	.	H	α-helix	trans	-57.4	-40.5	174.5	-175	102.8	0	0	0	111.8	G321 S326 K327 W337 T434 L454 F456 E464	G321-W323 PolarHBondContact O-N 3.16Å; G321-W323 VanDerWaalsContact O-N 3.08Å; W323-S326 PolarHBondContact O-OG 2.55Å; W323-S326 VanDerWaalsContact O-OG 3.12Å; W323-K327 HydrophobicContact CD2-CD 4.21Å; W323-K327 HydrophobicContact CE3-CD 3.95Å; W323-K327 HydrophobicContact CH2-CD 3.65Å; W323-K327 HydrophobicContact CZ2-CD 3.97Å; W323-K327 HydrophobicContact CZ3-CD 3.63Å; W323-K327 WeakPolarHBondContact O-CD 3.42Å; W323-K327 VanDerWaalsContact O-CG 3.32Å; W323-K327 WeakPolarHBondContact O-CG 3.37Å; W323-W337 HydrophobicContact CB-CH2 3.83Å; W323-W337 HydrophobicContact CB-CZ3 4.14Å; W323-W337 AromaticContact CD2-CH2 3.97Å; W323-W337 HydrophobicContact CD2-CH2 3.97Å; W323-W337 HydrophobicContact CD2-CZ2 4.43Å; W323-W337 AromaticContact CE3-CH2 3.63Å; W323-W337 HydrophobicContact CE3-CH2 3.63Å; W323-W337 AromaticContact CE3-CZ2 3.63Å; W323-W337 HydrophobicContact CE3-CZ2 3.63Å; W323-W337 HydrophobicContact CG-CH2 4.08Å; W323-W337 HydrophobicContact CZ3-CZ2 4.23Å; W323-T434 HydrophobicContact CE3-CG2 4.3Å; W323-T434 HydrophobicContact CH2-CG2 4.11Å; W323-T434 WeakPolarHBondContact CH2-OG1 3.46Å; W323-T434 VanDerWaalsContact CZ3-CB 3.43Å; W323-T434 HydrophobicContact CZ3-CG2 3.87Å; W323-T434 VanDerWaalsContact CZ3-OG1 3.23Å; W323-T434 WeakPolarHBondContact CZ3-OG1 3.36Å; W323-L454 HydrophobicContact CD2-CD1 4.41Å; W323-L454 HydrophobicContact CH2-CD1 4.32Å; W323-L454 HydrophobicContact CZ2-CD1 3.56Å; W323-F456 HydrophobicContact CB-CE1 4.18Å; W323-F456 HydrophobicContact CB-CZ 4.06Å; W323-F456 AromaticContact CD1-CZ 3.97Å; W323-F456 HydrophobicContact CG-CE1 4.41Å; W323-F456 AromaticContact CG-CZ 3.99Å; W323-F456 HydrophobicContact CG-CZ 3.99Å; W323-E464 WeakPolarHBondContact CB-O 3.43Å; W323-E464 PolarHBondContact N-O 2.85Å
324	Q	95.2	Very high	95.6	Very high	1 Å²	1	30.5 Å²	30.5	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-79.6	-46.8	-179.7	174.3	77.7	10.6	0	0	112.1	G321 K322 S326 K327 G328 G329 G330 W337 G435	G321-Q324 WeakPolarHBondContact O-CA 3.45Å; G321-Q324 VanDerWaalsContact O-CB 3.3Å; G321-Q324 WeakPolarHBondContact O-CB 3.46Å; G321-Q324 PolarHBondContact O-N 2.91Å; K322-Q324 PolarHBondContact O-N 2.83Å; Q324-S326 VanDerWaalsContact C-N 3.32Å; Q324-S326 PolarHBondContact O-N 3.07Å; Q324-K327 CarbonylContact O-C 3.51Å; Q324-K327 WeakPolarHBondContact O-CA 3.24Å; Q324-K327 WeakPolarHBondContact O-CB 3.39Å; Q324-K327 PolarHBondContact O-N 2.84Å; Q324-G328 PolarHBondContact O-N 2.76Å; Q324-G329 PolarHBondContact O-N 2.7Å; Q324-G330 WeakPolarHBondContact CG-O 3.32Å; Q324-G330 PolarHBondContact NE2-O 3.29Å; Q324-W337 HydrophobicContact CB-CD2 4.13Å; Q324-W337 VanDerWaalsContact CB-CE2 3.46Å; Q324-W337 HydrophobicContact CB-CH2 4.32Å; Q324-W337 HydrophobicContact CB-CZ2 3.59Å; Q324-W337 HydrophobicContact CG-CZ2 4.4Å; Q324-G435 PolarHBondContact NE2-O 2.96Å; Q324-G435 VanDerWaalsContact OE1-CA 3.26Å
325	T	95.8	Very high	95.7	Very high	51 Å²	51	30.1 Å²	30.1	31%	0.313	18%	0.177	S	C	.	.	H	α-helix	trans	-67.5	-34	-176.8	55	0	0	0	0	112	T320 G321 K322 K327 G328 G329	T320-T325 VanDerWaalsContact O-CG2 3.24Å; T320-T325 WeakPolarHBondContact O-CG2 3.43Å; T320-T325 PolarHBondContact O-OG1 2.82Å; G321-T325 PolarHBondContact O-N 2.95Å; G321-T325 PolarHBondContact O-OG1 2.88Å; K322-T325 VanDerWaalsContact CA-OG1 3.31Å; K322-T325 WeakPolarHBondContact CA-OG1 3.3Å; T325-K327 PolarHBondContact O-N 2.82Å; T325-G328 PolarHBondContact O-N 3.12Å; T325-G328 VanDerWaalsContact O-N 3.08Å; T325-G329 VanDerWaalsContact CA-O 3.29Å; T325-G329 WeakPolarHBondContact CA-O 3.1Å
326	S	95.3	Very high	95.7	Very high	98 Å²	98	29.1 Å²	29.1	69%	0.685	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-15.4	170.3	64.9	0	0	0	0	114.1	K322 W323 Q324	K322-S326 WeakPolarHBondContact O-CB 3.47Å; K322-S326 PolarHBondContact O-N 2.93Å; K322-S326 PolarHBondContact O-OG 2.87Å; W323-S326 PolarHBondContact O-OG 2.55Å; W323-S326 VanDerWaalsContact O-OG 3.12Å; Q324-S326 VanDerWaalsContact C-N 3.32Å; Q324-S326 PolarHBondContact O-N 3.07Å
327	K	94.9	Very high	95.7	Very high	91 Å²	91	28.2 Å²	28.2	40%	0.396	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.4	13	175.8	-63.6	-178.3	-175.7	-150	0	113	W323 Q324 T325	W323-K327 HydrophobicContact CD2-CD 4.21Å; W323-K327 HydrophobicContact CE3-CD 3.95Å; W323-K327 HydrophobicContact CH2-CD 3.65Å; W323-K327 HydrophobicContact CZ2-CD 3.97Å; W323-K327 HydrophobicContact CZ3-CD 3.63Å; W323-K327 WeakPolarHBondContact O-CD 3.42Å; W323-K327 VanDerWaalsContact O-CG 3.32Å; W323-K327 WeakPolarHBondContact O-CG 3.37Å; Q324-K327 CarbonylContact O-C 3.51Å; Q324-K327 WeakPolarHBondContact O-CA 3.24Å; Q324-K327 WeakPolarHBondContact O-CB 3.39Å; Q324-K327 PolarHBondContact O-N 2.84Å; T325-K327 PolarHBondContact O-N 2.82Å
328	G	90.7	Very high	95.8	Very high	29 Å²	29	27.6 Å²	27.6	30%	0.299	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.8	9.6	171.8	0	0	0	0	0	115.4	Q324 T325 G443 T444	Q324-G328 PolarHBondContact O-N 2.76Å; T325-G328 PolarHBondContact O-N 3.12Å; T325-G328 VanDerWaalsContact O-N 3.08Å; G328-G443 CarbonylContact O-C 3.6Å; G328-G443 WeakPolarHBondContact O-CA 3.44Å; G328-T444 PolarHBondContact O-N 2.79Å
329	G	93.3	Very high	95.9	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.141	C	C	.	.			trans	-103.1	162.4	173.3	0	0	0	0	0	113	Q324 T325 A437 G445	Q324-G329 PolarHBondContact O-N 2.7Å; T325-G329 VanDerWaalsContact CA-O 3.29Å; T325-G329 WeakPolarHBondContact CA-O 3.1Å; G329-A437 CarbonylContact C-O 3.53Å; G329-A437 WeakPolarHBondContact CA-O 3.36Å; G329-G445 VanDerWaalsContact CA-N 3.27Å
330	G	94.9	Very high	95.9	Very high	1 Å²	1	24.9 Å²	24.9	1%	0.01	14%	0.14	C	C	.	.			trans	-78.8	160.4	172.8	0	0	0	0	0	112.4	E307 Q324 A437	E307-G330 WeakPolarHBondContact OE2-CA 3.31Å; Q324-G330 WeakPolarHBondContact CG-O 3.32Å; Q324-G330 PolarHBondContact NE2-O 3.29Å; G330-A437 PolarHBondContact N-O 2.78Å; G330-A437 WeakPolarHBondContact O-CB 3.19Å
331	S	95.6	Very high	95.9	Very high	1 Å²	1	22.8 Å²	22.8	1%	0.007	13%	0.127	C	C	.	.			trans	-119.9	8	-179.5	71.3	0	0	0	0	114.2	E307 T320 T335 W337 G339 G340	E307-S331 PolarHBondContact OE2-N 3.1Å; T320-S331 PolarHBondContact O-OG 3.24Å; T320-S331 VanDerWaalsContact O-OG 3.12Å; S331-T335 VanDerWaalsContact C-OG1 3.25Å; S331-T335 PolarHBondContact O-OG1 2.88Å; S331-T335 VanDerWaalsContact O-OG1 3.12Å; S331-W337 WeakPolarHBondContact O-CB 3.07Å; S331-G339 CarbonylContact O-C 3.53Å; S331-G340 PolarHBondContact O-N 2.95Å
332	A	96.4	Very high	96	Very high	2 Å²	2	23.4 Å²	23.4	2%	0.017	13%	0.129	C	C	.	.	S	Bend	trans	-106.6	-136.9	-172	0	0	0	0	0	111.7	P305 E307 V316 T335 G340	P305-A332 HydrophobicContact CG-CB 4.02Å; P305-A332 WeakPolarHBondContact O-CB 3.31Å; E307-A332 HydrophobicContact CB-CB 3.96Å; V316-A332 HydrophobicContact CG1-CB 3.86Å; A332-T335 WeakPolarHBondContact O-CB 3.37Å; A332-T335 WeakPolarHBondContact O-CG2 3.44Å; A332-T335 PolarHBondContact O-N 3.48Å; A332-T335 PolarHBondContact O-OG1 3.42Å; A332-G340 WeakPolarHBondContact O-CA 3.44Å
333	K	96.4	Very high	96.1	Very high	14 Å²	14	19.4 Å²	19.4	6%	0.061	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.6	144.4	179.3	-171.9	179.9	-176.1	174	0	111.8	D41 S80 H253 P305 W306 T335	D41-K333 VanDerWaalsContact OD1-CD 3.31Å; D41-K333 WeakPolarHBondContact OD1-CD 3.44Å; D41-K333 WeakPolarHBondContact OD1-CE 3.32Å; D41-K333 IonicContact OD1-NZ 3.3Å; D41-K333 PolarHBondContact OD1-NZ 2.97Å; D41-K333 IonicContact OD2-NZ 3.01Å; D41-K333 PolarHBondContact OD2-NZ 3.12Å; S80-K333 WeakPolarHBondContact O-CG 3.32Å; H253-K333 PolarHBondContact CD2-NZ 2.86Å; H253-K333 PolarHBondContact NE2-NZ 2.98Å; P305-K333 VanDerWaalsContact O-CB 3.31Å; P305-K333 WeakPolarHBondContact O-CB 3.36Å; P305-K333 PolarHBondContact O-N 3.25Å; W306-K333 HydrophobicContact CB-CB 4.43Å; W306-K333 HydrophobicContact CB-CD 3.71Å; W306-K333 HydrophobicContact CD2-CD 4.11Å; W306-K333 HydrophobicContact CG-CD 3.69Å; K333-T335 PolarHBondContact O-N 2.87Å
334	Q	95	Very high	96.2	Very high	53 Å²	53	18.2 Å²	18.2	25%	0.248	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.2	-10	-172.7	-50.6	-174.2	8.5	0	0	116	S80 T81 G412 A413	S80-Q334 PolarHBondContact O-N 3.03Å; S80-Q334 VanDerWaalsContact OG-C 3.25Å; T81-Q334 HydrophobicContact CG2-CB 4.39Å; T81-Q334 HydrophobicContact CG2-CG 3.93Å; Q334-G412 CarbonylContact O-C 3.56Å; Q334-G412 WeakPolarHBondContact O-CA 3.43Å; Q334-A413 HydrophobicContact CB-CB 4.01Å; Q334-A413 WeakPolarHBondContact O-CB 3.33Å
335	T	96	Very high	96.3	Very high	7 Å²	7	18.2 Å²	18.2	4%	0.043	11%	0.107	C	C	.	.	S	Bend	trans	-106.1	166.4	-177.6	81.9	0	0	0	0	113.1	S80 S331 A332 K333 W337 A413 A437	S80-T335 WeakPolarHBondContact CB-O 3.34Å; S80-T335 PolarHBondContact OG-N 3.25Å; S80-T335 PolarHBondContact OG-O 3.46Å; S331-T335 VanDerWaalsContact C-OG1 3.25Å; S331-T335 PolarHBondContact O-OG1 2.88Å; S331-T335 VanDerWaalsContact O-OG1 3.12Å; A332-T335 WeakPolarHBondContact O-CB 3.37Å; A332-T335 WeakPolarHBondContact O-CG2 3.44Å; A332-T335 PolarHBondContact O-N 3.48Å; A332-T335 PolarHBondContact O-OG1 3.42Å; K333-T335 PolarHBondContact O-N 2.87Å; T335-W337 PolarHBondContact OG1-N 3.24Å; T335-A413 HydrophobicContact CG2-CB 4.27Å; T335-A437 HydrophobicContact CG2-CB 3.24Å
336	T	96.4	Very high	96.5	Very high	14 Å²	14	15.8 Å²	15.8	9%	0.086	9%	0.092	C	C	.	.	S	Bend	trans	-99.4	8	172.7	56.8	0	0	0	0	113.2	H341 H408 Q421 T422 K429	T336-H341 PolarHBondContact O-CD2 3.23Å; T336-H341 PolarHBondContact O-NE2 3.03Å; T336-H408 HydrophobicContact CG2-CB 4Å; T336-Q421 HydrophobicContact CG2-CB 4.38Å; T336-T422 WeakPolarHBondContact CB-OG1 3.34Å; T336-T422 PolarHBondContact OG1-OG1 3.3Å; T336-K429 WeakPolarHBondContact O-CE 3.36Å; T336-K429 PolarHBondContact O-NZ 3.23Å
337	W	97.4	Very high	96.6	Very high	4 Å²	4	11.1 Å²	11.1	2%	0.015	6%	0.06	C	C	.	.	S	Bend	trans	-64.3	156.9	167.5	-61	102.8	0	0	0	110.4	W323 Q324 S331 T335 G339 G340 H341 K429 F431 T434 F456 E464	W323-W337 HydrophobicContact CB-CH2 3.83Å; W323-W337 HydrophobicContact CB-CZ3 4.14Å; W323-W337 AromaticContact CD2-CH2 3.97Å; W323-W337 HydrophobicContact CD2-CH2 3.97Å; W323-W337 HydrophobicContact CD2-CZ2 4.43Å; W323-W337 AromaticContact CE3-CH2 3.63Å; W323-W337 HydrophobicContact CE3-CH2 3.63Å; W323-W337 AromaticContact CE3-CZ2 3.63Å; W323-W337 HydrophobicContact CE3-CZ2 3.63Å; W323-W337 HydrophobicContact CG-CH2 4.08Å; W323-W337 HydrophobicContact CZ3-CZ2 4.23Å; Q324-W337 HydrophobicContact CB-CD2 4.13Å; Q324-W337 VanDerWaalsContact CB-CE2 3.46Å; Q324-W337 HydrophobicContact CB-CH2 4.32Å; Q324-W337 HydrophobicContact CB-CZ2 3.59Å; Q324-W337 HydrophobicContact CG-CZ2 4.4Å; S331-W337 WeakPolarHBondContact O-CB 3.07Å; T335-W337 PolarHBondContact OG1-N 3.24Å; W337-G339 PolarHBondContact O-N 3.28Å; W337-G340 PolarHBondContact O-N 3.42Å; W337-H341 PolarHBondContact O-CD2 3.49Å; W337-H341 PolarHBondContact O-NE2 2.97Å; W337-K429 VanDerWaalsContact C-NZ 3.31Å; W337-F431 AromaticContact CD2-CE1 3.8Å; W337-F431 HydrophobicContact CD2-CE1 3.8Å; W337-F431 AromaticContact CD2-CZ 3.84Å; W337-F431 HydrophobicContact CD2-CZ 3.84Å; W337-F431 AromaticContact CE3-CE1 3.92Å; W337-F431 HydrophobicContact CE3-CE1 3.92Å; W337-F431 HydrophobicContact CE3-CE2 4.15Å; W337-F431 AromaticContact CE3-CZ 3.5Å; W337-F431 HydrophobicContact CE3-CZ 3.5Å; W337-F431 HydrophobicContact CG-CE1 4.27Å; W337-F431 HydrophobicContact CG-CZ 4.44Å; W337-F431 HydrophobicContact CH2-CE1 4.4Å; W337-F431 HydrophobicContact CH2-CZ 4.4Å; W337-F431 HydrophobicContact CZ2-CD1 4.49Å; W337-F431 HydrophobicContact CZ2-CE1 4.3Å; W337-F431 HydrophobicContact CZ3-CE1 4.22Å; W337-F431 HydrophobicContact CZ3-CE2 4.05Å; W337-F431 AromaticContact CZ3-CZ 3.82Å; W337-F431 HydrophobicContact CZ3-CZ 3.82Å; W337-T434 HydrophobicContact CH2-CG2 4.1Å; W337-T434 HydrophobicContact CZ2-CG2 3.67Å; W337-F456 HydrophobicContact CH2-CE2 4.19Å; W337-F456 HydrophobicContact CH2-CZ 4.06Å; W337-F456 HydrophobicContact CZ3-CE2 4.02Å; W337-F456 AromaticContact CZ3-CZ 3.98Å; W337-F456 HydrophobicContact CZ3-CZ 3.98Å; W337-E464 HydrophobicContact CE3-CB 3.78Å; W337-E464 HydrophobicContact CE3-CG 4.3Å; W337-E464 HydrophobicContact CZ3-CB 3.73Å
338	E	97.9	Very high	96.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-55.5	-41.8	-175.5	-74.4	-64.4	90.7	0	0	111	H76 F319 G340 H341 R342 K429 L458 E464	H76-E338 IonicContact CE1-OE1 3.44Å; H76-E338 PolarHBondContact CE1-OE1 2.9Å; H76-E338 IonicContact CE1-OE2 3.56Å; H76-E338 PolarHBondContact CE1-OE2 3.49Å; H76-E338 VanDerWaalsContact CE1-OE2 3.31Å; H76-E338 IonicContact NE2-OE2 2.82Å; F319-E338 HydrophobicContact CB-CB 3.65Å; F319-E338 HydrophobicContact CD1-CB 3.79Å; F319-E338 HydrophobicContact CD1-CG 4.24Å; F319-E338 HydrophobicContact CG-CB 3.85Å; E338-G340 PolarHBondContact O-N 3.3Å; E338-G340 VanDerWaalsContact O-N 3.08Å; E338-H341 PolarHBondContact O-N 2.73Å; E338-H341 IonicContact OE1-CE1 3.83Å; E338-H341 PolarHBondContact OE1-CE1 3.29Å; E338-H341 VanDerWaalsContact OE1-CE1 3.31Å; E338-H341 IonicContact OE1-NE2 3.69Å; E338-R342 WeakPolarHBondContact O-CA 3.26Å; E338-R342 WeakPolarHBondContact O-CB 3.22Å; E338-R342 PolarHBondContact O-N 3.32Å; E338-R342 IonicContact OE2-CZ 2.72Å; E338-R342 IonicContact OE2-NE 2.79Å; E338-R342 PolarHBondContact OE2-NE 3.47Å; E338-R342 VanDerWaalsContact OE2-NE 3.12Å; E338-R342 IonicContact OE2-NH1 3.9Å; E338-R342 PolarHBondContact OE2-NH1 3.37Å; E338-R342 IonicContact OE2-NH2 3.51Å; E338-K429 HydrophobicContact CG-CD 4.45Å; E338-K429 WeakPolarHBondContact OE1-CD 3.32Å; E338-K429 WeakPolarHBondContact OE1-CE 3.4Å; E338-K429 IonicContact OE1-NZ 3.64Å; E338-K429 PolarHBondContact OE1-NZ 3.45Å; E338-L458 VanDerWaalsContact CD-CD1 3.41Å; E338-L458 HydrophobicContact CG-CD1 3.67Å; E338-L458 HydrophobicContact CG-CD2 4.34Å; E338-L458 WeakPolarHBondContact OE2-CD1 3.07Å; E338-E464 WeakPolarHBondContact CB-OE2 3.42Å; E338-E464 HydrophobicContact CG-CG 4.22Å; E338-E464 WeakPolarHBondContact CG-OE2 3.43Å; E338-E464 PolarHBondContact N-OE2 3.37Å
339	G	97.6	Very high	97.2	Very high	1 Å²	1	5.7 Å²	5.7	1%	0.01	3%	0.028	C	C	.	.	H	α-helix	trans	-61.7	-16.3	176.9	0	0	0	0	0	114.9	G304 P305 F319 S331 W337	G304-G339 WeakPolarHBondContact CA-O 3.48Å; P305-G339 WeakPolarHBondContact CD-O 3.49Å; F319-G339 PolarHBondContact O-N 3.01Å; S331-G339 CarbonylContact O-C 3.53Å; W337-G339 PolarHBondContact O-N 3.28Å
340	G	97.3	Very high	97.4	Very high	0 Å²	0	6.9 Å²	6.9	0%	0	4%	0.036	C	C	.	.	H	α-helix	trans	-88.9	-23.4	-179.3	0	0	0	0	0	115.3	S80 G304 S331 A332 W337 E338	S80-G340 WeakPolarHBondContact CA-O 3.44Å; S80-G340 WeakPolarHBondContact CB-O 3.48Å; G304-G340 PolarHBondContact N-O 2.88Å; S331-G340 PolarHBondContact O-N 2.95Å; A332-G340 WeakPolarHBondContact O-CA 3.44Å; W337-G340 PolarHBondContact O-N 3.42Å; E338-G340 PolarHBondContact O-N 3.3Å; E338-G340 VanDerWaalsContact O-N 3.08Å
341	H	97.6	Very high	97.4	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.009	8%	0.076	C	C	.	.	H	α-helix	trans	-138.3	-17.7	-176.3	61.8	80.7	0	0	0	114.5	H76 S77 T336 W337 E338 V343 H408 K429	H76-H341 CarbonylContact C-O 3.46Å; H76-H341 WeakPolarHBondContact CA-O 3.45Å; H76-H341 AromaticContact CE1-CE1 3.67Å; H76-H341 AromaticContact CE1-ND1 3.75Å; H76-H341 AromaticContact CG-ND1 3.72Å; H76-H341 AromaticContact ND1-CE1 3.14Å; H76-H341 PolarHBondContact ND1-CE1 3.39Å; H76-H341 AromaticContact ND1-ND1 2.81Å; H76-H341 PolarHBondContact ND1-ND1 3.04Å; S77-H341 PolarHBondContact N-O 3.07Å; T336-H341 PolarHBondContact O-CD2 3.23Å; T336-H341 PolarHBondContact O-NE2 3.03Å; W337-H341 PolarHBondContact O-CD2 3.49Å; W337-H341 PolarHBondContact O-NE2 2.97Å; E338-H341 PolarHBondContact O-N 2.73Å; E338-H341 IonicContact OE1-CE1 3.83Å; E338-H341 PolarHBondContact OE1-CE1 3.29Å; E338-H341 VanDerWaalsContact OE1-CE1 3.31Å; E338-H341 IonicContact OE1-NE2 3.69Å; H341-V343 PolarHBondContact O-N 3.37Å; H341-H408 AromaticContact CD2-ND1 3.89Å; H341-H408 AromaticContact CE1-CD2 3.95Å; H341-H408 AromaticContact CE1-CE1 3.08Å; H341-H408 PolarHBondContact CE1-CE1 3.31Å; H341-H408 AromaticContact CE1-CG 3.97Å; H341-H408 AromaticContact CE1-ND1 3.46Å; H341-H408 PolarHBondContact CE1-ND1 3.08Å; H341-H408 AromaticContact CE1-NE2 3.41Å; H341-H408 PolarHBondContact CE1-NE2 2.94Å; H341-H408 AromaticContact CG-CE1 3.95Å; H341-H408 AromaticContact CG-ND1 3.72Å; H341-H408 AromaticContact ND1-CE1 3.2Å; H341-H408 PolarHBondContact ND1-CE1 2.03Å; H341-H408 AromaticContact ND1-ND1 3.45Å; H341-H408 PolarHBondContact ND1-ND1 2.9Å; H341-H408 AromaticContact ND1-NE2 3.98Å; H341-H408 AromaticContact NE2-CE1 3.75Å; H341-H408 AromaticContact NE2-CG 3.87Å; H341-H408 AromaticContact NE2-ND1 3.7Å; H341-H408 AromaticContact NE2-NE2 3.95Å; H341-K429 PolarHBondContact NE2-NZ 3.49Å
342	R	98.3	Very high	97.5	Very high	13 Å²	13	15.6 Å²	15.6	5%	0.049	9%	0.094	C	C	.	.	B	Isolated β-bridge	trans	-73.9	119.4	169.7	-164.5	177.4	-110.7	-177.3	-2.9	109	D74 Y75 H76 F319 E338	D74-R342 IonicContact OD1-CZ 3.12Å; D74-R342 IonicContact OD1-NE 3.56Å; D74-R342 IonicContact OD1-NH2 3.1Å; D74-R342 PolarHBondContact OD1-NH2 3.27Å; D74-R342 IonicContact OD2-NH2 3.71Å; D74-R342 PolarHBondContact OD2-NH2 3.11Å; Y75-R342 WeakPolarHBondContact O-CA 3.09Å; H76-R342 PolarHBondContact CE1-NE 3.47Å; H76-R342 PolarHBondContact NE2-NE 3.46Å; F319-R342 VanDerWaalsContact CE2-CD 3.43Å; F319-R342 HydrophobicContact CE2-CG 4.32Å; F319-R342 VanDerWaalsContact CZ-CD 3.49Å; E338-R342 WeakPolarHBondContact O-CA 3.26Å; E338-R342 WeakPolarHBondContact O-CB 3.22Å; E338-R342 PolarHBondContact O-N 3.32Å; E338-R342 IonicContact OE2-CZ 2.72Å; E338-R342 IonicContact OE2-NE 2.79Å; E338-R342 PolarHBondContact OE2-NE 3.47Å; E338-R342 VanDerWaalsContact OE2-NE 3.12Å; E338-R342 IonicContact OE2-NH1 3.9Å; E338-R342 PolarHBondContact OE2-NH1 3.37Å; E338-R342 IonicContact OE2-NH2 3.51Å
343	V	98.6	Very high	97.6	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.095	C	C	.	.			trans	-126.5	148.8	-167.8	-70.2	0	0	0	0	111.4	Y75 T300 H341 T345	Y75-V343 HydrophobicContact CD1-CG2 3.86Å; Y75-V343 HydrophobicContact CE1-CG2 4.36Å; Y75-V343 PolarHBondContact O-N 2.74Å; T300-V343 WeakPolarHBondContact OG1-CG2 3.45Å; H341-V343 PolarHBondContact O-N 3.37Å; V343-T345 PolarHBondContact O-N 2.88Å; V343-T345 PolarHBondContact O-OG1 3.32Å
344	P	98.4	Very high	97.6	Very high	0 Å²	0	18 Å²	18	0%	0	11%	0.11	C	C	.	.			trans	-68.7	133.2	-177.5	29.5	-32.2	0	0	0	110	I42 G43 L47 F299 T300	I42-P344 HydrophobicContact CD1-CG 4.1Å; I42-P344 HydrophobicContact CG1-CG 4.09Å; I42-P344 HydrophobicContact CG2-CG 3.88Å; G43-P344 WeakPolarHBondContact O-CD 3.45Å; G43-P344 WeakPolarHBondContact O-CG 3.43Å; L47-P344 HydrophobicContact CB-CB 4.38Å; L47-P344 HydrophobicContact CD1-CB 3.63Å; L47-P344 HydrophobicContact CD1-CG 3.81Å; L47-P344 HydrophobicContact CD2-CB 3.83Å; L47-P344 HydrophobicContact CG-CB 4.13Å; F299-P344 HydrophobicContact CE1-CG 4.42Å; T300-P344 WeakPolarHBondContact CA-O 3.09Å
345	T	98.9	Very high	97.7	Very high	1 Å²	1	18.5 Å²	18.5	1%	0.006	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	129	-174.1	-58.2	0	0	0	0	113.1	L72 Y75 W298 F299 T300 V343 V347	L72-T345 HydrophobicContact CB-CG2 4.1Å; L72-T345 HydrophobicContact CD1-CG2 3.78Å; L72-T345 HydrophobicContact CG-CG2 4.29Å; L72-T345 PolarHBondContact N-O 3.38Å; Y75-T345 HydrophobicContact CD1-CG2 4.08Å; Y75-T345 WeakPolarHBondContact CD1-OG1 3.36Å; Y75-T345 HydrophobicContact CD2-CG2 4.12Å; Y75-T345 HydrophobicContact CE1-CG2 4.27Å; Y75-T345 HydrophobicContact CE2-CG2 4.36Å; Y75-T345 HydrophobicContact CG-CG2 3.95Å; W298-T345 VanDerWaalsContact NE1-CG2 3.31Å; F299-T345 VanDerWaalsContact O-CA 3.32Å; F299-T345 WeakPolarHBondContact O-CA 3.23Å; F299-T345 WeakPolarHBondContact O-CG2 3.16Å; T300-T345 PolarHBondContact OG1-OG1 2.75Å; V343-T345 PolarHBondContact O-N 2.88Å; V343-T345 PolarHBondContact O-OG1 3.32Å; T345-V347 HydrophobicContact CG2-CG2 4.46Å
346	V	98.8	Very high	97.8	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	131.9	178	-179.4	0	0	0	0	109.4	L47 M65 A66 L70 F299	L47-V346 HydrophobicContact CD2-CG2 3.84Å; M65-V346 HydrophobicContact CB-CG1 4.21Å; M65-V346 HydrophobicContact CE-CG1 4.15Å; M65-V346 WeakPolarHBondContact CE-O 3.47Å; M65-V346 HydrophobicContact CG-CG1 3.82Å; M65-V346 HydrophobicContact SD-CG1 4.26Å; A66-V346 HydrophobicContact CB-CG1 3.92Å; A66-V346 HydrophobicContact CB-CG2 4.05Å; L70-V346 WeakPolarHBondContact O-CA 3.29Å; F299-V346 PolarHBondContact N-O 3.48Å; F299-V346 PolarHBondContact O-N 2.78Å
347	V	98.9	Very high	97.9	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	131.2	179.7	-164.6	0	0	0	0	110	G69 L70 L72 L296 I297 W298 T345 I353 L395	G69-V347 WeakPolarHBondContact CA-O 3.32Å; L70-V347 PolarHBondContact N-O 3Å; L70-V347 PolarHBondContact O-N 3.43Å; L72-V347 HydrophobicContact CD1-CG2 3.96Å; L296-V347 HydrophobicContact CD1-CG1 4.27Å; L296-V347 HydrophobicContact CG-CG1 4.28Å; I297-V347 CarbonylContact O-C 3.48Å; I297-V347 WeakPolarHBondContact O-CA 3.36Å; W298-V347 HydrophobicContact CD2-CG1 4.35Å; W298-V347 HydrophobicContact CD2-CG2 3.88Å; W298-V347 HydrophobicContact CE3-CG1 4.38Å; W298-V347 HydrophobicContact CE3-CG2 4.49Å; W298-V347 HydrophobicContact CG-CG1 4.48Å; W298-V347 HydrophobicContact CG-CG2 4Å; W298-V347 HydrophobicContact CZ2-CG2 4.28Å; T345-V347 HydrophobicContact CG2-CG2 4.46Å; V347-I353 HydrophobicContact CB-CD1 4.17Å; V347-I353 HydrophobicContact CG1-CD1 3.57Å; V347-L395 HydrophobicContact CB-CD2 4.37Å; V347-L395 HydrophobicContact CG1-CD1 4.47Å; V347-L395 HydrophobicContact CG1-CD2 4.31Å; V347-L395 HydrophobicContact CG2-CD2 4.13Å
348	Y	98.8	Very high	97.9	Very high	4 Å²	4	29 Å²	29	2%	0.016	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	124.5	-175.2	175.5	-108.2	0	0	0	110.6	M65 Q68 K284 D288 K292 L296 I297 P350	M65-Y348 HydrophobicContact CG-CD2 4.48Å; M65-Y348 HydrophobicContact CG-CG 4.13Å; Q68-Y348 HydrophobicContact CB-CD2 3.99Å; Q68-Y348 HydrophobicContact CB-CE2 3.62Å; K284-Y348 HydrophobicContact CD-CD1 4.5Å; K284-Y348 HydrophobicContact CD-CE1 4.32Å; K284-Y348 VanDerWaalsContact CE-CZ 3.42Å; K284-Y348 HydrophobicContact CG-CD1 4.28Å; K284-Y348 HydrophobicContact CG-CE1 4Å; K284-Y348 PolarHBondContact NZ-OH 2.99Å; D288-Y348 WeakPolarHBondContact OD1-CE1 3.43Å; D288-Y348 PolarHBondContact OD1-OH 3.49Å; D288-Y348 VanDerWaalsContact OD1-OH 3.1Å; D288-Y348 PolarHBondContact OD2-OH 3.44Å; K292-Y348 VanDerWaalsContact CE-OH 3.32Å; K292-Y348 WeakPolarHBondContact CE-OH 3.44Å; L296-Y348 WeakPolarHBondContact CA-O 3.34Å; I297-Y348 HydrophobicContact CB-CD1 4.45Å; I297-Y348 HydrophobicContact CD1-CD1 4.03Å; I297-Y348 HydrophobicContact CG1-CD1 4.22Å; I297-Y348 PolarHBondContact N-O 3.47Å; I297-Y348 PolarHBondContact O-N 3.17Å; Y348-P350 VanDerWaalsContact CE1-CD 3.5Å; Y348-P350 HydrophobicContact CE1-CG 3.92Å; Y348-P350 HydrophobicContact CE2-CB 4.13Å; Y348-P350 HydrophobicContact CE2-CG 4.18Å; Y348-P350 VanDerWaalsContact CZ-CD 3.47Å; Y348-P350 WeakPolarHBondContact OH-CG 3.49Å
349	W	98.6	Very high	97.9	Very high	3 Å²	3	29 Å²	29	1%	0.011	18%	0.184	C	C	.	.			trans	-155.3	91.4	168.6	-167.5	-8.5	0	0	0	109.4	P32 G293 L296 G351 R352 I353 L375 L396	P32-W349 HydrophobicContact CB-CH2 3.55Å; P32-W349 HydrophobicContact CB-CZ2 3.55Å; P32-W349 HydrophobicContact CG-CH2 4.02Å; P32-W349 HydrophobicContact CG-CZ2 4.46Å; G293-W349 PolarHBondContact O-NE1 3.43Å; L296-W349 HydrophobicContact CB-CB 4.44Å; L296-W349 HydrophobicContact CB-CD2 3.92Å; L296-W349 HydrophobicContact CB-CE3 3.72Å; L296-W349 HydrophobicContact CB-CG 4.3Å; L296-W349 HydrophobicContact CB-CZ3 4.18Å; L296-W349 HydrophobicContact CD1-CE3 3.63Å; L296-W349 HydrophobicContact CD1-CZ3 4.01Å; L296-W349 HydrophobicContact CG-CE3 4.18Å; W349-G351 PolarHBondContact O-N 3.12Å; W349-R352 HydrophobicContact CB-CB 4.27Å; W349-R352 HydrophobicContact CD2-CB 3.76Å; W349-R352 HydrophobicContact CD2-CG 3.9Å; W349-R352 HydrophobicContact CE3-CB 4.2Å; W349-R352 HydrophobicContact CG-CB 3.73Å; W349-R352 HydrophobicContact CG-CG 4.02Å; W349-R352 HydrophobicContact CZ2-CG 4.18Å; W349-R352 PolarHBondContact O-N 3.02Å; W349-R352 VanDerWaalsContact O-N 3.07Å; W349-I353 HydrophobicContact CB-CB 4.37Å; W349-I353 HydrophobicContact CB-CD1 3.73Å; W349-I353 HydrophobicContact CB-CG1 3.87Å; W349-I353 PolarHBondContact O-N 2.95Å; W349-L375 HydrophobicContact CZ3-CD1 3.95Å; W349-L375 HydrophobicContact CZ3-CD2 4Å; W349-L375 HydrophobicContact CZ3-CG 4.43Å; W349-L396 HydrophobicContact CE3-CD2 4.3Å
350	P	97.6	Very high	97.9	Very high	25 Å²	25	32.8 Å²	32.8	16%	0.162	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-65.7	132.3	-169.8	28	-35.3	0	0	0	110.8	K292 Y348 R352	K292-P350 HydrophobicContact CD-CG 4.38Å; K292-P350 HydrophobicContact CG-CB 4.35Å; K292-P350 HydrophobicContact CG-CG 3.46Å; K292-P350 VanDerWaalsContact CG-CG 3.46Å; K292-P350 WeakPolarHBondContact O-CD 3.31Å; K292-P350 VanDerWaalsContact O-CG 3.24Å; K292-P350 WeakPolarHBondContact O-CG 3.19Å; Y348-P350 VanDerWaalsContact CE1-CD 3.5Å; Y348-P350 HydrophobicContact CE1-CG 3.92Å; Y348-P350 HydrophobicContact CE2-CB 4.13Å; Y348-P350 HydrophobicContact CE2-CG 4.18Å; Y348-P350 VanDerWaalsContact CZ-CD 3.47Å; Y348-P350 WeakPolarHBondContact OH-CG 3.49Å; P350-R352 VanDerWaalsContact C-N 3.27Å; P350-R352 PolarHBondContact O-N 3.48Å
351	G	95.4	Very high	97.9	Very high	83 Å²	83	33 Å²	33	86%	0.856	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.5	-3.1	-176.2	0	0	0	0	0	114.8	W349	W349-G351 PolarHBondContact O-N 3.12Å
352	R	97.5	Very high	97.9	Very high	101 Å²	101	33.5 Å²	33.5	38%	0.381	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.8	-43	176.1	-58.8	-71.1	-80	-126.8	3.2	112	E29 W349 P350 L396	E29-R352 IonicContact OE1-CZ 3.29Å; E29-R352 IonicContact OE1-NH1 3.47Å; E29-R352 PolarHBondContact OE1-NH1 3.09Å; E29-R352 IonicContact OE1-NH2 2.91Å; E29-R352 PolarHBondContact OE1-NH2 2.8Å; W349-R352 HydrophobicContact CB-CB 4.27Å; W349-R352 HydrophobicContact CD2-CB 3.76Å; W349-R352 HydrophobicContact CD2-CG 3.9Å; W349-R352 HydrophobicContact CE3-CB 4.2Å; W349-R352 HydrophobicContact CG-CB 3.73Å; W349-R352 HydrophobicContact CG-CG 4.02Å; W349-R352 HydrophobicContact CZ2-CG 4.18Å; W349-R352 PolarHBondContact O-N 3.02Å; W349-R352 VanDerWaalsContact O-N 3.07Å; P350-R352 VanDerWaalsContact C-N 3.27Å; P350-R352 PolarHBondContact O-N 3.48Å; R352-L396 HydrophobicContact CB-CD2 4.03Å
353	I	98.3	Very high	97.9	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.036	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-93.9	130.5	172.1	-66.6	175.3	0	0	0	108.9	L70 V347 W349 A355 L395 L396	L70-I353 HydrophobicContact CB-CG2 3.64Å; V347-I353 HydrophobicContact CB-CD1 4.17Å; V347-I353 HydrophobicContact CG1-CD1 3.57Å; W349-I353 HydrophobicContact CB-CB 4.37Å; W349-I353 HydrophobicContact CB-CD1 3.73Å; W349-I353 HydrophobicContact CB-CG1 3.87Å; W349-I353 PolarHBondContact O-N 2.95Å; I353-A355 PolarHBondContact O-N 3.47Å; I353-L395 HydrophobicContact CD1-CB 4.38Å; I353-L395 HydrophobicContact CG1-CB 4.46Å; I353-L395 WeakPolarHBondContact CG1-O 3.23Å; I353-L396 HydrophobicContact CG1-CD2 4.04Å
354	P	96.6	Very high	97.9	Very high	60 Å²	60	32.9 Å²	32.9	39%	0.39	21%	0.212	S	C	.	.	P	Polyproline II helix	trans	-60.1	123.9	172	-23.7	34.6	0	0	0	111.7	T357	P354-T357 HydrophobicContact CB-CG2 3.79Å; P354-T357 PolarHBondContact O-OG1 3.43Å
355	A	97.4	Very high	97.9	Very high	63 Å²	63	33 Å²	33	52%	0.521	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	152.3	-178.4	0	0	0	0	0	112.5	G69 I353 T357	G69-A355 CarbonylContact O-C 3.58Å; I353-A355 PolarHBondContact O-N 3.47Å; A355-T357 VanDerWaalsContact C-N 3.28Å; A355-T357 PolarHBondContact O-N 3.13Å
356	N	97.2	Very high	97.9	Very high	125 Å²	125	32.9 Å²	32.9	67%	0.668	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.5	41.5	178	-164.1	42.3	0	0	0	113	Q67 G69	Q67-N356 WeakPolarHBondContact O-CA 3.3Å; Q67-N356 WeakPolarHBondContact O-CB 3.13Å; Q67-N356 PolarHBondContact O-N 2.77Å; G69-N356 PolarHBondContact O-N 2.74Å
357	T	97.9	Very high	97.9	Very high	48 Å²	48	32.9 Å²	32.9	29%	0.294	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	158	177.3	55.5	0	0	0	0	111.5	G69 L70 R71 P354 A355	G69-T357 PolarHBondContact O-N 3.08Å; G69-T357 VanDerWaalsContact O-N 3.13Å; L70-T357 WeakPolarHBondContact CD1-OG1 3.31Å; R71-T357 PolarHBondContact N-O 3.49Å; P354-T357 HydrophobicContact CB-CG2 3.79Å; P354-T357 PolarHBondContact O-OG1 3.43Å; A355-T357 VanDerWaalsContact C-N 3.28Å; A355-T357 PolarHBondContact O-N 3.13Å
358	T	98.1	Very high	97.9	Very high	72 Å²	72	32.9 Å²	32.9	44%	0.442	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	140.5	174	-65.4	0	0	0	0	108.5	R71 T73	R71-T358 CarbonylContact O-C 3.49Å; R71-T358 VanDerWaalsContact O-CA 3.27Å; R71-T358 WeakPolarHBondContact O-CA 3.03Å; T73-T358 HydrophobicContact CG2-CG2 3.62Å
359	S	98.3	Very high	97.9	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.014	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	139.1	171.4	177	0	0	0	0	110.4	R71 T73 A361 Q400	R71-S359 PolarHBondContact O-N 2.91Å; T73-S359 PolarHBondContact N-O 3.14Å; T73-S359 PolarHBondContact OG1-O 3.34Å; S359-A361 WeakPolarHBondContact OG-CB 3.26Å; S359-A361 PolarHBondContact OG-N 2.78Å; S359-A361 VanDerWaalsContact OG-N 3.16Å; S359-Q400 PolarHBondContact OG-OE1 3.18Å
360	S	96.6	Very high	97.9	Very high	79 Å²	79	33.6 Å²	33.6	55%	0.552	22%	0.218	S	C	*	.			trans	-108.2	22	172.8	65.3	0	0	0	0	111.5	L362	S360-L362 PolarHBondContact O-N 3.45Å
361	A	97.6	Very high	98	Very high	5 Å²	5	32.4 Å²	32.4	4%	0.041	21%	0.21	C	C	.	.			trans	-60.5	135.5	169.9	0	0	0	0	0	109	D74 S359 L363 V394	D74-A361 VanDerWaalsContact O-O 3.07Å; S359-A361 WeakPolarHBondContact OG-CB 3.26Å; S359-A361 PolarHBondContact OG-N 2.78Å; S359-A361 VanDerWaalsContact OG-N 3.16Å; A361-L363 HydrophobicContact CB-CD2 4.17Å; A361-L363 HydrophobicContact CB-CG 4.12Å; A361-L363 WeakPolarHBondContact O-CG 3.37Å; A361-L363 PolarHBondContact O-N 3.46Å; A361-L363 VanDerWaalsContact O-N 3.14Å; A361-V394 HydrophobicContact CB-CG1 4.33Å; A361-V394 HydrophobicContact CB-CG2 4.29Å
362	L	98.1	Very high	98.2	Very high	13 Å²	13	28.5 Å²	28.5	7%	0.068	17%	0.17	C	C	.	.			trans	-70.7	106.3	176.7	177.6	62.2	0	0	0	109.3	D74 S360 G402 H403 L406 R424	D74-L362 WeakPolarHBondContact OD1-CD1 3.45Å; S360-L362 PolarHBondContact O-N 3.45Å; L362-G402 WeakPolarHBondContact O-CA 3.41Å; L362-H403 HydrophobicContact CD2-CB 4.25Å; L362-H403 HydrophobicContact CG-CB 4.22Å; L362-H403 PolarHBondContact O-CD2 3.01Å; L362-H403 PolarHBondContact O-N 3.22Å; L362-L406 HydrophobicContact CD1-CD2 4.23Å; L362-L406 HydrophobicContact CD2-CB 4.12Å; L362-L406 HydrophobicContact CG-CB 4.45Å; L362-R424 HydrophobicContact CD1-CG 4.16Å; L362-R424 HydrophobicContact CD2-CG 3.7Å
363	L	98.6	Very high	98.2	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	161.4	-172.9	-64.1	-169.2	0	0	0	112.1	L72 D74 Y75 H76 A361 V391 V394	L72-L363 HydrophobicContact CD1-CD1 3.95Å; L72-L363 HydrophobicContact CD2-CD1 4.11Å; D74-L363 PolarHBondContact O-N 2.85Å; Y75-L363 HydrophobicContact CD2-CB 3.59Å; Y75-L363 HydrophobicContact CE2-CB 4.05Å; H76-L363 PolarHBondContact N-O 3.04Å; A361-L363 HydrophobicContact CB-CD2 4.17Å; A361-L363 HydrophobicContact CB-CG 4.12Å; A361-L363 WeakPolarHBondContact O-CG 3.37Å; A361-L363 PolarHBondContact O-N 3.46Å; A361-L363 VanDerWaalsContact O-N 3.14Å; L363-V391 HydrophobicContact CD1-CB 4.32Å; L363-V391 HydrophobicContact CD1-CG1 4.24Å; L363-V391 HydrophobicContact CD1-CG2 4.36Å; L363-V391 HydrophobicContact CD2-CB 4.25Å; L363-V391 HydrophobicContact CD2-CG1 3.43Å; L363-V391 VanDerWaalsContact CD2-CG1 3.43Å; L363-V391 HydrophobicContact CG-CG1 4.4Å; L363-V394 HydrophobicContact CD1-CG1 4.21Å
364	S	98.7	Very high	98.2	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	154.3	-179	-174	0	0	0	0	114.1	Y75 H76 M366 D367	Y75-S364 PolarHBondContact OH-O 2.9Å; H76-S364 CarbonylContact O-C 3.55Å; H76-S364 WeakPolarHBondContact O-CA 3.36Å; H76-S364 PolarHBondContact O-OG 2.85Å; S364-M366 PolarHBondContact O-N 3.45Å; S364-M366 VanDerWaalsContact O-N 3.08Å; S364-M366 PolarHBondContact OG-N 3.11Å; S364-D367 PolarHBondContact N-OD2 2.72Å; S364-D367 WeakPolarHBondContact O-CB 3.44Å; S364-D367 VanDerWaalsContact O-CG 3.25Å; S364-D367 PolarHBondContact O-N 3.44Å
365	G	98.7	Very high	98.3	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.01	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-49.8	-28.7	167	0	0	0	0	0	114.7	Y75 H76 D367 I368	Y75-G365 VanDerWaalsContact OH-CA 3.29Å; Y75-G365 WeakPolarHBondContact OH-CA 3.45Å; H76-G365 PolarHBondContact O-N 3.46Å; G365-D367 PolarHBondContact O-N 2.91Å; G365-I368 WeakPolarHBondContact O-CB 3.43Å; G365-I368 PolarHBondContact O-N 3.03Å
366	M	98.6	Very high	98.4	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-66	-24.7	176.2	-58.6	-177	-67	0	0	112.5	P78 A88 Y94 S364 I368 F369 P370 D387 L406	P78-M366 HydrophobicContact CB-CG 3.62Å; P78-M366 HydrophobicContact CB-SD 4.13Å; P78-M366 HydrophobicContact CG-CG 3.5Å; P78-M366 VanDerWaalsContact CG-CG 3.5Å; A88-M366 HydrophobicContact CB-CG 4.09Å; Y94-M366 HydrophobicContact CD1-CE 3.93Å; Y94-M366 HydrophobicContact CD1-SD 3.58Å; Y94-M366 VanDerWaalsContact CD1-SD 3.58Å; Y94-M366 HydrophobicContact CD2-CE 4.42Å; Y94-M366 HydrophobicContact CD2-SD 4.27Å; Y94-M366 HydrophobicContact CE1-CE 3.31Å; Y94-M366 HydrophobicContact CE1-SD 3.64Å; Y94-M366 HydrophobicContact CE2-CE 3.86Å; Y94-M366 HydrophobicContact CE2-SD 4.31Å; Y94-M366 HydrophobicContact CG-CE 4.43Å; Y94-M366 HydrophobicContact CG-SD 3.9Å; Y94-M366 WeakPolarHBondContact OH-CE 3.26Å; S364-M366 PolarHBondContact O-N 3.45Å; S364-M366 VanDerWaalsContact O-N 3.08Å; S364-M366 PolarHBondContact OG-N 3.11Å; M366-I368 PolarHBondContact O-N 3.31Å; M366-F369 PolarHBondContact O-N 2.87Å; M366-P370 WeakPolarHBondContact O-CD 3.34Å; M366-D387 HydrophobicContact CE-CB 3.91Å; M366-D387 HydrophobicContact SD-CB 3.71Å; M366-L406 HydrophobicContact CE-CD1 4.28Å
367	D	98.9	Very high	98.4	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	14%	0.141	C	C	.	.	G	3₁₀ helix	trans	-70.2	-20.6	-177.3	-57.6	-22.6	0	0	0	111.8	S364 G365 F369 P370 T371 G388 I389 V391 H403	S364-D367 PolarHBondContact N-OD2 2.72Å; S364-D367 WeakPolarHBondContact O-CB 3.44Å; S364-D367 VanDerWaalsContact O-CG 3.25Å; S364-D367 PolarHBondContact O-N 3.44Å; G365-D367 PolarHBondContact O-N 2.91Å; D367-F369 PolarHBondContact O-N 3.39Å; D367-P370 WeakPolarHBondContact O-CD 3.24Å; D367-T371 WeakPolarHBondContact O-CB 3.46Å; D367-T371 PolarHBondContact O-N 3.49Å; D367-T371 PolarHBondContact O-OG1 2.93Å; D367-G388 WeakPolarHBondContact OD1-CA 3.11Å; D367-I389 WeakPolarHBondContact CB-O 3.38Å; D367-I389 PolarHBondContact OD1-N 3.14Å; D367-V391 HydrophobicContact CB-CG1 3.88Å; D367-V391 HydrophobicContact CB-CG2 4.23Å; D367-H403 VanDerWaalsContact CG-NE2 3.33Å; D367-H403 IonicContact OD1-CD2 2.95Å; D367-H403 IonicContact OD1-CE1 2.86Å; D367-H403 PolarHBondContact OD1-CE1 3.3Å; D367-H403 IonicContact OD1-NE2 2.69Å; D367-H403 PolarHBondContact OD1-NE2 2.91Å; D367-H403 IonicContact OD2-CD2 3.59Å; D367-H403 IonicContact OD2-NE2 2.78Å; D367-H403 PolarHBondContact OD2-NE2 3.37Å; D367-H403 VanDerWaalsContact OD2-NE2 3.09Å
368	I	98.9	Very high	98.4	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-55.5	-42.7	173.1	-67.5	173.2	0	0	0	110.2	I36 Y75 I89 L119 W298 T300 G365 M366 V372	I36-I368 HydrophobicContact CD1-CG2 4.13Å; I36-I368 HydrophobicContact CG1-CG2 4.35Å; I36-I368 HydrophobicContact CG2-CD1 4.22Å; Y75-I368 WeakPolarHBondContact OH-CD1 3.36Å; Y75-I368 WeakPolarHBondContact OH-CG1 3.48Å; I89-I368 HydrophobicContact CG2-CB 4.48Å; I89-I368 HydrophobicContact CG2-CD1 4.1Å; I89-I368 HydrophobicContact CG2-CG2 4.49Å; L119-I368 HydrophobicContact CD2-CG2 4.24Å; W298-I368 HydrophobicContact CD2-CG1 4.12Å; W298-I368 HydrophobicContact CE3-CG1 4.24Å; W298-I368 HydrophobicContact CH2-CG1 4.26Å; W298-I368 HydrophobicContact CZ2-CG1 4.16Å; W298-I368 HydrophobicContact CZ3-CG1 4.29Å; T300-I368 HydrophobicContact CG2-CD1 4.33Å; G365-I368 WeakPolarHBondContact O-CB 3.43Å; G365-I368 PolarHBondContact O-N 3.03Å; M366-I368 PolarHBondContact O-N 3.31Å; I368-V372 HydrophobicContact CG2-CG2 3.99Å; I368-V372 VanDerWaalsContact O-CB 3.26Å; I368-V372 WeakPolarHBondContact O-CB 3.46Å; I368-V372 WeakPolarHBondContact O-CG2 3.16Å; I368-V372 PolarHBondContact O-N 2.79Å
369	F	98.9	Very high	98.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-59.3	-63.9	-177.1	-178	-81.9	0	0	0	112.7	L90 T91 L119 L122 M366 D367 T371 L373 P380 Y386	L90-F369 VanDerWaalsContact O-CD2 3.26Å; L90-F369 WeakPolarHBondContact O-CD2 3.1Å; L90-F369 WeakPolarHBondContact O-CE2 3.07Å; T91-F369 VanDerWaalsContact C-CD2 3.43Å; L119-F369 HydrophobicContact CB-CD2 3.79Å; L119-F369 HydrophobicContact CB-CE2 4.12Å; L119-F369 HydrophobicContact CD1-CD2 4.41Å; L122-F369 HydrophobicContact CD1-CE1 4.42Å; L122-F369 HydrophobicContact CD1-CE2 4.18Å; L122-F369 HydrophobicContact CD1-CZ 3.6Å; M366-F369 PolarHBondContact O-N 2.87Å; D367-F369 PolarHBondContact O-N 3.39Å; F369-T371 VanDerWaalsContact C-N 3.33Å; F369-T371 PolarHBondContact O-N 3.07Å; F369-L373 HydrophobicContact CD1-CD1 3.78Å; F369-L373 HydrophobicContact CE1-CD1 3.35Å; F369-L373 HydrophobicContact CE2-CD1 4.45Å; F369-L373 HydrophobicContact CG-CD1 4.48Å; F369-L373 HydrophobicContact CZ-CD1 3.74Å; F369-L373 VanDerWaalsContact O-CG 3.27Å; F369-L373 WeakPolarHBondContact O-CG 3.37Å; F369-L373 PolarHBondContact O-N 2.76Å; F369-P380 HydrophobicContact CE1-CB 4.09Å; F369-Y386 HydrophobicContact CD1-CD1 4.2Å; F369-Y386 HydrophobicContact CD1-CE1 4.1Å; F369-Y386 AromaticContact CE1-CD1 3.92Å; F369-Y386 HydrophobicContact CE1-CD1 3.92Å; F369-Y386 AromaticContact CE1-CE1 3.37Å; F369-Y386 HydrophobicContact CE1-CE1 3.37Å; F369-Y386 AromaticContact CZ-CE1 3.84Å; F369-Y386 HydrophobicContact CZ-CE1 3.84Å
370	P	98.8	Very high	98.3	Very high	21 Å²	21	21.8 Å²	21.8	14%	0.136	16%	0.163	C	C	.	.	H	α-helix	trans	-67.2	-33.1	-179.3	28.9	-37.2	0	0	0	112.6	M366 D367 L373 S374 I389	M366-P370 WeakPolarHBondContact O-CD 3.34Å; D367-P370 WeakPolarHBondContact O-CD 3.24Å; P370-L373 PolarHBondContact O-N 3.38Å; P370-S374 VanDerWaalsContact O-CB 3.23Å; P370-S374 WeakPolarHBondContact O-CB 3.14Å; P370-S374 PolarHBondContact O-N 3.12Å; P370-I389 VanDerWaalsContact CG-O 3.29Å; P370-I389 WeakPolarHBondContact CG-O 3.16Å
371	T	98.9	Very high	98.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-67	-46.6	-179.6	-56.3	0	0	0	0	111.5	W298 D367 F369 S374 L375 V391 L395	W298-T371 HydrophobicContact CZ3-CG2 4.21Å; D367-T371 WeakPolarHBondContact O-CB 3.46Å; D367-T371 PolarHBondContact O-N 3.49Å; D367-T371 PolarHBondContact O-OG1 2.93Å; F369-T371 VanDerWaalsContact C-N 3.33Å; F369-T371 PolarHBondContact O-N 3.07Å; T371-S374 PolarHBondContact O-N 2.74Å; T371-L375 HydrophobicContact CG2-CD1 3.98Å; T371-L375 WeakPolarHBondContact O-CB 3.47Å; T371-L375 WeakPolarHBondContact O-CG 3.01Å; T371-L375 PolarHBondContact O-N 3.04Å; T371-V391 HydrophobicContact CG2-CG2 4.08Å; T371-V391 WeakPolarHBondContact OG1-CG2 3.39Å; T371-V391 PolarHBondContact OG1-N 3.26Å; T371-L395 HydrophobicContact CG2-CD1 3.85Å
372	V	98.9	Very high	98.2	Very high	1 Å²	1	24.4 Å²	24.4	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-65.1	-41.3	177.7	171.6	0	0	0	0	110.9	F34 I36 L119 L123 I368 L375 A376	F34-V372 HydrophobicContact CD1-CG1 4.05Å; F34-V372 HydrophobicContact CD1-CG2 4.31Å; F34-V372 HydrophobicContact CD2-CG1 3.76Å; F34-V372 HydrophobicContact CE1-CG1 4.11Å; F34-V372 HydrophobicContact CE2-CG1 3.81Å; F34-V372 HydrophobicContact CG-CG1 3.86Å; F34-V372 HydrophobicContact CZ-CG1 3.97Å; I36-V372 HydrophobicContact CD1-CG2 4.39Å; L119-V372 HydrophobicContact CD1-CB 4.2Å; L119-V372 HydrophobicContact CD1-CG1 4.05Å; L119-V372 HydrophobicContact CD2-CB 4.23Å; L119-V372 HydrophobicContact CD2-CG1 4.24Å; L123-V372 HydrophobicContact CD1-CG1 3.83Å; L123-V372 HydrophobicContact CD2-CG1 4.42Å; I368-V372 HydrophobicContact CG2-CG2 3.99Å; I368-V372 VanDerWaalsContact O-CB 3.26Å; I368-V372 WeakPolarHBondContact O-CB 3.46Å; I368-V372 WeakPolarHBondContact O-CG2 3.16Å; I368-V372 PolarHBondContact O-N 2.79Å; V372-L375 PolarHBondContact O-N 3.33Å; V372-A376 VanDerWaalsContact O-CB 3.25Å; V372-A376 WeakPolarHBondContact O-CB 3.47Å; V372-A376 PolarHBondContact O-N 2.8Å
373	L	98.8	Very high	98.1	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	21%	0.21	C	C	.	.	H	α-helix	trans	-61.6	-45.5	175.8	-70.4	179.7	0	0	0	112.2	L119 L122 L123 F369 P370 L375 A376 G377 V378 P380	L119-L373 HydrophobicContact CD1-CD2 3.66Å; L119-L373 HydrophobicContact CD1-CG 3.71Å; L122-L373 HydrophobicContact CB-CD2 3.79Å; L122-L373 HydrophobicContact CD1-CD1 3.67Å; L122-L373 HydrophobicContact CD1-CD2 3.98Å; L122-L373 HydrophobicContact CD1-CG 4.48Å; L123-L373 HydrophobicContact CD2-CD2 4.33Å; F369-L373 HydrophobicContact CD1-CD1 3.78Å; F369-L373 HydrophobicContact CE1-CD1 3.35Å; F369-L373 HydrophobicContact CE2-CD1 4.45Å; F369-L373 HydrophobicContact CG-CD1 4.48Å; F369-L373 HydrophobicContact CZ-CD1 3.74Å; F369-L373 VanDerWaalsContact O-CG 3.27Å; F369-L373 WeakPolarHBondContact O-CG 3.37Å; F369-L373 PolarHBondContact O-N 2.76Å; P370-L373 PolarHBondContact O-N 3.38Å; L373-L375 PolarHBondContact O-N 3.37Å; L373-A376 CarbonylContact O-C 3.55Å; L373-A376 PolarHBondContact O-N 3.31Å; L373-A376 VanDerWaalsContact O-N 3.16Å; L373-G377 PolarHBondContact O-N 3.36Å; L373-V378 CarbonylContact C-O 3.55Å; L373-V378 WeakPolarHBondContact CB-O 3.2Å; L373-V378 HydrophobicContact CD2-CB 3.9Å; L373-V378 HydrophobicContact CD2-CG1 3.81Å; L373-V378 PolarHBondContact O-N 3.45Å; L373-P380 HydrophobicContact CD1-CB 3.93Å
374	S	98.4	Very high	98	Very high	58 Å²	58	30.2 Å²	30.2	41%	0.406	22%	0.216	S	C	.	.	H	α-helix	trans	-57.4	-49.6	176	-177.5	0	0	0	0	111.4	P370 T371 A376 G377 D390	P370-S374 VanDerWaalsContact O-CB 3.23Å; P370-S374 WeakPolarHBondContact O-CB 3.14Å; P370-S374 PolarHBondContact O-N 3.12Å; T371-S374 PolarHBondContact O-N 2.74Å; S374-A376 VanDerWaalsContact C-N 3.27Å; S374-A376 PolarHBondContact O-N 2.89Å; S374-G377 PolarHBondContact O-N 3.28Å; S374-D390 WeakPolarHBondContact CB-OD2 3.36Å; S374-D390 PolarHBondContact OG-OD2 3.37Å
375	L	98.5	Very high	98	Very high	31 Å²	31	34.4 Å²	34.4	16%	0.162	23%	0.231	C	C	.	.	H	α-helix	trans	-64.9	-28.6	177.3	-66.6	170.2	0	0	0	113.3	P32 F34 L296 W349 T371 V372 L373 G377 L396	P32-L375 WeakPolarHBondContact CG-O 3.23Å; F34-L375 HydrophobicContact CE1-CB 3.87Å; F34-L375 HydrophobicContact CE1-CD1 4.16Å; F34-L375 HydrophobicContact CZ-CB 3.79Å; L296-L375 HydrophobicContact CD1-CD1 3.93Å; W349-L375 HydrophobicContact CZ3-CD1 3.95Å; W349-L375 HydrophobicContact CZ3-CD2 4Å; W349-L375 HydrophobicContact CZ3-CG 4.43Å; T371-L375 HydrophobicContact CG2-CD1 3.98Å; T371-L375 WeakPolarHBondContact O-CB 3.47Å; T371-L375 WeakPolarHBondContact O-CG 3.01Å; T371-L375 PolarHBondContact O-N 3.04Å; V372-L375 PolarHBondContact O-N 3.33Å; L373-L375 PolarHBondContact O-N 3.37Å; L375-G377 VanDerWaalsContact C-N 3.32Å; L375-L396 HydrophobicContact CD2-CD1 3.87Å
376	A	98.3	Very high	97.9	Very high	9 Å²	9	37.1 Å²	37.1	7%	0.074	24%	0.242	C	C	.	.	H	α-helix	trans	-81.7	-9.9	175.5	0	0	0	0	0	113.4	F34 L123 Y128 V372 L373 S374 V378	F34-A376 HydrophobicContact CE2-CB 3.88Å; F34-A376 HydrophobicContact CZ-CB 4.14Å; L123-A376 HydrophobicContact CD2-CB 3.68Å; Y128-A376 HydrophobicContact CE2-CB 4.08Å; V372-A376 VanDerWaalsContact O-CB 3.25Å; V372-A376 WeakPolarHBondContact O-CB 3.47Å; V372-A376 PolarHBondContact O-N 2.8Å; L373-A376 CarbonylContact O-C 3.55Å; L373-A376 PolarHBondContact O-N 3.31Å; L373-A376 VanDerWaalsContact O-N 3.16Å; S374-A376 VanDerWaalsContact C-N 3.27Å; S374-A376 PolarHBondContact O-N 2.89Å; A376-V378 VanDerWaalsContact C-N 3.35Å; A376-V378 HydrophobicContact CB-CB 4.5Å; A376-V378 HydrophobicContact CB-CG2 3.89Å
377	G	97.8	Very high	97.9	Very high	72 Å²	72	38 Å²	38	74%	0.742	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	32.9	-171.8	0	0	0	0	0	113.2	L373 S374 L375	L373-G377 PolarHBondContact O-N 3.36Å; S374-G377 PolarHBondContact O-N 3.28Å; L375-G377 VanDerWaalsContact C-N 3.32Å
378	V	98	Very high	97.9	Very high	28 Å²	28	38.4 Å²	38.4	17%	0.17	25%	0.25	C	S	.	.			trans	-110.9	131.4	-179.6	-178.3	0	0	0	0	109.3	L122 A126 L373 A376	L122-V378 HydrophobicContact CB-CG1 4.3Å; A126-V378 HydrophobicContact CB-CG2 3.45Å; A126-V378 VanDerWaalsContact CB-CG2 3.45Å; L373-V378 CarbonylContact C-O 3.55Å; L373-V378 WeakPolarHBondContact CB-O 3.2Å; L373-V378 HydrophobicContact CD2-CB 3.9Å; L373-V378 HydrophobicContact CD2-CG1 3.81Å; L373-V378 PolarHBondContact O-N 3.45Å; A376-V378 VanDerWaalsContact C-N 3.35Å; A376-V378 HydrophobicContact CB-CB 4.5Å; A376-V378 HydrophobicContact CB-CG2 3.89Å
379	A	97.3	Very high	97.8	Very high	82 Å²	82	41.3 Å²	41.3	68%	0.678	27%	0.265	S	S	*	.	P	Polyproline II helix	trans	-84	136.8	175.2	0	0	0	0	0	110.6
380	P	96.6	Very high	97.8	Very high	56 Å²	56	44.6 Å²	44.6	36%	0.364	28%	0.283	S	S	.	.	P	Polyproline II helix	trans	-70	155	170.2	31.2	-34.9	0	0	0	110.9	F369 L373 A382 Y386	F369-P380 HydrophobicContact CE1-CB 4.09Å; L373-P380 HydrophobicContact CD1-CB 3.93Å; P380-A382 PolarHBondContact O-N 3.04Å; P380-Y386 HydrophobicContact CB-CE2 3.8Å; P380-Y386 HydrophobicContact CG-CE2 4.32Å
381	P	96.4	Very high	97.8	Very high	30 Å²	30	43.7 Å²	43.7	20%	0.195	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-49.9	129.4	170.7	-28.1	29.9	0	0	0	113.6	V117 L122 D383 R384 Y386	V117-P381 HydrophobicContact CB-CG 4.28Å; V117-P381 HydrophobicContact CG1-CG 4.18Å; V117-P381 HydrophobicContact CG2-CG 4.36Å; L122-P381 HydrophobicContact CD2-CG 4.21Å; P381-D383 VanDerWaalsContact C-N 3.3Å; P381-D383 WeakPolarHBondContact CB-OD1 3.36Å; P381-D383 PolarHBondContact O-N 2.84Å; P381-R384 HydrophobicContact CB-CG 4.42Å; P381-Y386 WeakPolarHBondContact CD-OH 3.41Å; P381-Y386 VanDerWaalsContact O-CE2 3.31Å; P381-Y386 WeakPolarHBondContact O-CE2 3.44Å; P381-Y386 PolarHBondContact O-OH 2.99Å
382	A	96.5	Very high	97.8	Very high	109 Å²	109	44.4 Å²	44.4	90%	0.901	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	-2.4	180	0	0	0	0	0	113.9	P380 R384	P380-A382 PolarHBondContact O-N 3.04Å; A382-R384 VanDerWaalsContact C-N 3.29Å; A382-R384 PolarHBondContact O-N 2.83Å
383	D	96.3	Very high	97.7	Very high	106 Å²	106	44.5 Å²	44.5	57%	0.567	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-0.9	-176.6	69.9	-27.3	0	0	0	113.7	P381	P381-D383 VanDerWaalsContact C-N 3.3Å; P381-D383 WeakPolarHBondContact CB-OD1 3.36Å; P381-D383 PolarHBondContact O-N 2.84Å
384	R	96.8	Very high	97.7	Very high	30 Å²	30	44.7 Å²	44.7	11%	0.113	28%	0.284	C	S	.	.	S	Bend	trans	-144.2	156.6	-173.4	67.6	-168.7	68.7	-145.9	-5.1	112	S115 E116 P381 A382 Y386 S498	S115-R384 PolarHBondContact O-NH1 3.38Å; S115-R384 PolarHBondContact O-NH2 3.49Å; E116-R384 IonicContact OE2-NH1 3.55Å; E116-R384 PolarHBondContact OE2-NH1 3.12Å; P381-R384 HydrophobicContact CB-CG 4.42Å; A382-R384 VanDerWaalsContact C-N 3.29Å; A382-R384 PolarHBondContact O-N 2.83Å; R384-Y386 WeakPolarHBondContact CD-OH 3.37Å; R384-Y386 HydrophobicContact CG-CE1 4.15Å; R384-Y386 HydrophobicContact CG-CE2 3.75Å; R384-Y386 VanDerWaalsContact CG-CZ 3.48Å; R384-Y386 VanDerWaalsContact CG-OH 3.31Å; R384-Y386 WeakPolarHBondContact CG-OH 2.92Å; R384-S498 WeakPolarHBondContact CA-OG 3.31Å; R384-S498 WeakPolarHBondContact CB-OG 3.24Å
385	R	97.6	Very high	97.7	Very high	88 Å²	88	42 Å²	42	33%	0.332	27%	0.265	S	S	.	.			trans	-87	154.9	175.2	-56.7	-175.2	-167.5	155.1	17	110.9	R93 D492 T495	R93-R385 WeakPolarHBondContact CD-O 3.2Å; R93-R385 WeakPolarHBondContact CG-O 3.09Å; R93-R385 PolarHBondContact NH1-O 3.06Å; R385-D492 VanDerWaalsContact CD-OD1 3.29Å; R385-D492 WeakPolarHBondContact CD-OD1 3.32Å; R385-D492 IonicContact CZ-OD1 3.31Å; R385-D492 IonicContact NE-OD1 2.79Å; R385-D492 PolarHBondContact NH1-O 3.36Å; R385-D492 IonicContact NH1-OD1 3.5Å; R385-D492 PolarHBondContact NH1-OD1 2.76Å; R385-D492 IonicContact NH1-OD2 2.96Å; R385-T495 PolarHBondContact NH1-OG1 3.42Å; R385-T495 VanDerWaalsContact NH1-OG1 3.12Å; R385-T495 PolarHBondContact NH2-O 3.44Å
386	Y	97.9	Very high	97.7	Very high	58 Å²	58	42.5 Å²	42.5	23%	0.227	27%	0.268	C	S	.	.			trans	-126.5	146.7	177.2	-64.9	-83.7	0	0	0	109.8	T91 R93 F369 P380 P381 R384	T91-Y386 WeakPolarHBondContact O-CE1 3.35Å; R93-Y386 HydrophobicContact CG-CD1 4.09Å; F369-Y386 HydrophobicContact CD1-CD1 4.2Å; F369-Y386 HydrophobicContact CD1-CE1 4.1Å; F369-Y386 AromaticContact CE1-CD1 3.92Å; F369-Y386 HydrophobicContact CE1-CD1 3.92Å; F369-Y386 AromaticContact CE1-CE1 3.37Å; F369-Y386 HydrophobicContact CE1-CE1 3.37Å; F369-Y386 AromaticContact CZ-CE1 3.84Å; F369-Y386 HydrophobicContact CZ-CE1 3.84Å; P380-Y386 HydrophobicContact CB-CE2 3.8Å; P380-Y386 HydrophobicContact CG-CE2 4.32Å; P381-Y386 WeakPolarHBondContact CD-OH 3.41Å; P381-Y386 VanDerWaalsContact O-CE2 3.31Å; P381-Y386 WeakPolarHBondContact O-CE2 3.44Å; P381-Y386 PolarHBondContact O-OH 2.99Å; R384-Y386 WeakPolarHBondContact CD-OH 3.37Å; R384-Y386 HydrophobicContact CG-CE1 4.15Å; R384-Y386 HydrophobicContact CG-CE2 3.75Å; R384-Y386 VanDerWaalsContact CG-CZ 3.48Å; R384-Y386 VanDerWaalsContact CG-OH 3.31Å; R384-Y386 WeakPolarHBondContact CG-OH 2.92Å
387	D	98.2	Very high	97.6	Very high	18 Å²	18	49.4 Å²	49.4	10%	0.096	29%	0.292	C	S	.	.	S	Bend	trans	-101.4	-28.2	177.8	-57	-65.5	0	0	0	111.3	G92 R93 Y94 R97 M366 H403	G92-D387 PolarHBondContact O-N 3.05Å; R93-D387 WeakPolarHBondContact CA-OD2 3.17Å; Y94-D387 HydrophobicContact CD2-CB 3.57Å; Y94-D387 WeakPolarHBondContact CD2-OD1 3.45Å; Y94-D387 WeakPolarHBondContact CD2-OD2 3.39Å; Y94-D387 HydrophobicContact CE2-CB 3.66Å; Y94-D387 HydrophobicContact CG-CB 4.31Å; Y94-D387 PolarHBondContact N-OD2 3.01Å; R97-D387 WeakPolarHBondContact CD-OD2 3.48Å; R97-D387 IonicContact CZ-OD1 2.8Å; R97-D387 VanDerWaalsContact CZ-OD1 3.28Å; R97-D387 IonicContact NE-OD1 3.59Å; R97-D387 PolarHBondContact NE-OD1 3.27Å; R97-D387 IonicContact NE-OD2 2.9Å; R97-D387 PolarHBondContact NE-OD2 3.45Å; R97-D387 IonicContact NH2-OD1 3.91Å; R97-D387 PolarHBondContact NH2-OD1 2.94Å; M366-D387 HydrophobicContact CE-CB 3.91Å; M366-D387 HydrophobicContact SD-CB 3.71Å; D387-H403 PolarHBondContact O-CE1 3.12Å
388	G	98.2	Very high	97.4	Very high	8 Å²	8	48 Å²	48	8%	0.082	28%	0.277	C	S	.	.			trans	-72	151.1	171.7	0	0	0	0	0	112.7	G92 D367	G92-G388 PolarHBondContact O-N 3.04Å; G92-G388 VanDerWaalsContact O-N 3.1Å; D367-G388 WeakPolarHBondContact OD1-CA 3.11Å
389	I	98.1	Very high	97.3	Very high	61 Å²	61	50.4 Å²	50.4	31%	0.313	29%	0.287	S	S	.	.			trans	-116.9	153.3	177	65.6	-179.7	0	0	0	111.5	D367 P370 V391	D367-I389 WeakPolarHBondContact CB-O 3.38Å; D367-I389 PolarHBondContact OD1-N 3.14Å; P370-I389 VanDerWaalsContact CG-O 3.29Å; P370-I389 WeakPolarHBondContact CG-O 3.16Å; I389-V391 HydrophobicContact CD1-CG1 4.32Å; I389-V391 HydrophobicContact CG1-CG1 3.83Å; I389-V391 PolarHBondContact O-N 2.97Å
390	D	98.4	Very high	97.1	Very high	69 Å²	69	51.1 Å²	51.1	37%	0.369	28%	0.276	S	S	.	.			trans	-73	112.6	172.2	177.7	4.7	0	0	0	110.1	S374 S392	S374-D390 WeakPolarHBondContact CB-OD2 3.36Å; S374-D390 PolarHBondContact OG-OD2 3.37Å; D390-S392 WeakPolarHBondContact OD1-CB 3.26Å; D390-S392 PolarHBondContact OD1-N 2.75Å; D390-S392 PolarHBondContact OD1-OG 2.85Å; D390-S392 PolarHBondContact OD2-OG 3.46Å
391	V	98.5	Very high	97	Very high	3 Å²	3	53 Å²	53	2%	0.018	29%	0.291	C	S	.	.			trans	-101.5	15.7	-179.2	-56.7	0	0	0	0	112.7	W298 L363 D367 T371 I389 G393 V394 L395	W298-V391 HydrophobicContact CH2-CG2 3.83Å; L363-V391 HydrophobicContact CD1-CB 4.32Å; L363-V391 HydrophobicContact CD1-CG1 4.24Å; L363-V391 HydrophobicContact CD1-CG2 4.36Å; L363-V391 HydrophobicContact CD2-CB 4.25Å; L363-V391 HydrophobicContact CD2-CG1 3.43Å; L363-V391 VanDerWaalsContact CD2-CG1 3.43Å; L363-V391 HydrophobicContact CG-CG1 4.4Å; D367-V391 HydrophobicContact CB-CG1 3.88Å; D367-V391 HydrophobicContact CB-CG2 4.23Å; T371-V391 HydrophobicContact CG2-CG2 4.08Å; T371-V391 WeakPolarHBondContact OG1-CG2 3.39Å; T371-V391 PolarHBondContact OG1-N 3.26Å; I389-V391 HydrophobicContact CD1-CG1 4.32Å; I389-V391 HydrophobicContact CG1-CG1 3.83Å; I389-V391 PolarHBondContact O-N 2.97Å; V391-G393 PolarHBondContact O-N 2.83Å; V391-G393 VanDerWaalsContact O-N 3.08Å; V391-V394 HydrophobicContact CB-CB 4.35Å; V391-V394 HydrophobicContact CB-CG2 4.32Å; V391-V394 WeakPolarHBondContact O-CA 2.98Å; V391-V394 WeakPolarHBondContact O-CB 3.45Å; V391-V394 PolarHBondContact O-N 3.25Å; V391-L395 HydrophobicContact CG2-CD1 4.43Å; V391-L395 HydrophobicContact CG2-CG 4.28Å; V391-L395 PolarHBondContact O-N 3.32Å
392	S	98.1	Very high	97	Very high	15 Å²	15	52.7 Å²	52.7	11%	0.105	29%	0.293	C	S	.	.	H	α-helix	trans	-54.3	-29.6	177.1	60.3	0	0	0	0	113	D390 L395 L396	D390-S392 WeakPolarHBondContact OD1-CB 3.26Å; D390-S392 PolarHBondContact OD1-N 2.75Å; D390-S392 PolarHBondContact OD1-OG 2.85Å; D390-S392 PolarHBondContact OD2-OG 3.46Å; S392-L395 PolarHBondContact O-N 2.87Å; S392-L396 VanDerWaalsContact O-CB 3.24Å; S392-L396 WeakPolarHBondContact O-CB 3.34Å; S392-L396 WeakPolarHBondContact O-CG 3.42Å; S392-L396 PolarHBondContact O-N 3.42Å
393	G	98	Very high	97	Very high	3 Å²	3	48.7 Å²	48.7	3%	0.031	26%	0.256	C	S	.	.	H	α-helix	trans	-64.4	-41.4	172	0	0	0	0	0	113.8	V391 R397 G398 E399	V391-G393 PolarHBondContact O-N 2.83Å; V391-G393 VanDerWaalsContact O-N 3.08Å; G393-R397 VanDerWaalsContact CA-CZ 3.49Å; G393-R397 CarbonylContact O-C 3.53Å; G393-R397 WeakPolarHBondContact O-CA 3.48Å; G393-R397 WeakPolarHBondContact O-CB 3.49Å; G393-R397 PolarHBondContact O-N 3.47Å; G393-G398 PolarHBondContact O-N 3.03Å; G393-E399 WeakPolarHBondContact CA-OE2 3.3Å; G393-E399 PolarHBondContact O-N 2.96Å
394	V	98.3	Very high	96.9	Very high	4 Å²	4	49 Å²	49	2%	0.024	25%	0.254	C	S	.	.	H	α-helix	trans	-64.2	-47.8	173.6	-179.6	0	0	0	0	109.9	L72 A361 L363 V391 G398 E399	L72-V394 HydrophobicContact CD2-CG1 4.41Å; A361-V394 HydrophobicContact CB-CG1 4.33Å; A361-V394 HydrophobicContact CB-CG2 4.29Å; L363-V394 HydrophobicContact CD1-CG1 4.21Å; V391-V394 HydrophobicContact CB-CB 4.35Å; V391-V394 HydrophobicContact CB-CG2 4.32Å; V391-V394 WeakPolarHBondContact O-CA 2.98Å; V391-V394 WeakPolarHBondContact O-CB 3.45Å; V391-V394 PolarHBondContact O-N 3.25Å; V394-G398 PolarHBondContact O-N 3.35Å; V394-E399 WeakPolarHBondContact CA-O 3.4Å; V394-E399 WeakPolarHBondContact CG1-O 3.42Å; V394-E399 WeakPolarHBondContact CG2-O 3.36Å
395	L	98.3	Very high	97	Very high	2 Å²	2	48.6 Å²	48.6	1%	0.01	25%	0.253	C	S	.	.	H	α-helix	trans	-66.6	-48.6	-176.3	-57.7	-175.2	0	0	0	112.7	L70 L296 W298 V347 I353 T371 V391 S392	L70-L395 HydrophobicContact CD2-CD2 3.77Å; L296-L395 HydrophobicContact CD1-CD1 4.42Å; W298-L395 HydrophobicContact CE3-CD1 4.38Å; W298-L395 HydrophobicContact CH2-CD1 4.09Å; W298-L395 HydrophobicContact CH2-CD2 4.44Å; W298-L395 HydrophobicContact CZ3-CD1 3.68Å; V347-L395 HydrophobicContact CB-CD2 4.37Å; V347-L395 HydrophobicContact CG1-CD1 4.47Å; V347-L395 HydrophobicContact CG1-CD2 4.31Å; V347-L395 HydrophobicContact CG2-CD2 4.13Å; I353-L395 HydrophobicContact CD1-CB 4.38Å; I353-L395 HydrophobicContact CG1-CB 4.46Å; I353-L395 WeakPolarHBondContact CG1-O 3.23Å; T371-L395 HydrophobicContact CG2-CD1 3.85Å; V391-L395 HydrophobicContact CG2-CD1 4.43Å; V391-L395 HydrophobicContact CG2-CG 4.28Å; V391-L395 PolarHBondContact O-N 3.32Å; S392-L395 PolarHBondContact O-N 2.87Å
396	L	97.9	Very high	96.9	Very high	42 Å²	42	44.4 Å²	44.4	22%	0.22	24%	0.237	C	C	.	.	H	α-helix	trans	-97.7	-25.7	-167.4	-56.4	-178.3	0	0	0	113.7	W349 R352 I353 L375 S392	W349-L396 HydrophobicContact CE3-CD2 4.3Å; R352-L396 HydrophobicContact CB-CD2 4.03Å; I353-L396 HydrophobicContact CG1-CD2 4.04Å; L375-L396 HydrophobicContact CD2-CD1 3.87Å; S392-L396 VanDerWaalsContact O-CB 3.24Å; S392-L396 WeakPolarHBondContact O-CB 3.34Å; S392-L396 WeakPolarHBondContact O-CG 3.42Å; S392-L396 PolarHBondContact O-N 3.42Å
397	R	96.3	Very high	96.9	Very high	153 Å²	153	42.6 Å²	42.6	58%	0.577	23%	0.23	S	C	*	.	H	α-helix	trans	-120.2	-2.2	-172.7	-57.7	-172.4	-63.1	-85.9	1.1	113.7	G393 E399	G393-R397 VanDerWaalsContact CA-CZ 3.49Å; G393-R397 CarbonylContact O-C 3.53Å; G393-R397 WeakPolarHBondContact O-CA 3.48Å; G393-R397 WeakPolarHBondContact O-CB 3.49Å; G393-R397 PolarHBondContact O-N 3.47Å; R397-E399 HydrophobicContact CB-CG 4.33Å; R397-E399 IonicContact CZ-OE1 3.69Å; R397-E399 IonicContact NE-OE1 2.94Å; R397-E399 PolarHBondContact NE-OE1 2.59Å; R397-E399 IonicContact NH2-OE1 3.59Å; R397-E399 PolarHBondContact NH2-OE1 3.13Å; R397-E399 IonicContact NH2-OE2 2.76Å; R397-E399 PolarHBondContact NH2-OE2 2.93Å; R397-E399 PolarHBondContact O-N 2.75Å
398	G	93.9	Very high	96.8	Very high	42 Å²	42	41.9 Å²	41.9	43%	0.433	23%	0.227	S	C	.	.			trans	69.8	20.1	179.8	0	0	0	0	0	113.9	G393 V394 Q400	G393-G398 PolarHBondContact O-N 3.03Å; V394-G398 PolarHBondContact O-N 3.35Å; G398-Q400 PolarHBondContact O-NE2 2.81Å
399	E	96.1	Very high	96.6	Very high	80 Å²	80	41.8 Å²	41.8	37%	0.374	23%	0.225	S	C	.	.			trans	-59.1	151.1	171.2	-65.6	170.7	-163.8	0	0	110	G393 V394 R397	G393-E399 WeakPolarHBondContact CA-OE2 3.3Å; G393-E399 PolarHBondContact O-N 2.96Å; V394-E399 WeakPolarHBondContact CA-O 3.4Å; V394-E399 WeakPolarHBondContact CG1-O 3.42Å; V394-E399 WeakPolarHBondContact CG2-O 3.36Å; R397-E399 HydrophobicContact CB-CG 4.33Å; R397-E399 IonicContact CZ-OE1 3.69Å; R397-E399 IonicContact NE-OE1 2.94Å; R397-E399 PolarHBondContact NE-OE1 2.59Å; R397-E399 IonicContact NH2-OE1 3.59Å; R397-E399 PolarHBondContact NH2-OE1 3.13Å; R397-E399 IonicContact NH2-OE2 2.76Å; R397-E399 PolarHBondContact NH2-OE2 2.93Å; R397-E399 PolarHBondContact O-N 2.75Å
400	Q	93.6	Very high	96.3	Very high	96 Å²	96	39.1 Å²	39.1	45%	0.449	21%	0.211	S	C	.	.			trans	-113	10.4	179	-58.5	-57.1	-52	0	0	112.2	S359 G398 G402	S359-Q400 PolarHBondContact OG-OE1 3.18Å; G398-Q400 PolarHBondContact O-NE2 2.81Å; Q400-G402 PolarHBondContact O-N 3.38Å
401	S	93.2	Very high	95.9	Very high	95 Å²	95	36 Å²	36	66%	0.664	19%	0.194	S	C	*	.			trans	-82.4	102.6	179.2	-62.5	0	0	0	0	109.7
402	G	95.9	Very high	95.4	Very high	24 Å²	24	36.1 Å²	36.1	25%	0.247	20%	0.196	C	C	.	.			trans	-106	-150.2	169.5	0	0	0	0	0	111.9	L362 Q400	L362-G402 WeakPolarHBondContact O-CA 3.41Å; Q400-G402 PolarHBondContact O-N 3.38Å
403	H	97.6	Very high	94.7	Very high	26 Å²	26	36.8 Å²	36.8	12%	0.12	20%	0.202	C	C	.	.			trans	-65.2	137.3	172.3	-68.3	-88.5	0	0	0	111.2	L362 D367 D387	L362-H403 HydrophobicContact CD2-CB 4.25Å; L362-H403 HydrophobicContact CG-CB 4.22Å; L362-H403 PolarHBondContact O-CD2 3.01Å; L362-H403 PolarHBondContact O-N 3.22Å; D367-H403 VanDerWaalsContact CG-NE2 3.33Å; D367-H403 IonicContact OD1-CD2 2.95Å; D367-H403 IonicContact OD1-CE1 2.86Å; D367-H403 PolarHBondContact OD1-CE1 3.3Å; D367-H403 IonicContact OD1-NE2 2.69Å; D367-H403 PolarHBondContact OD1-NE2 2.91Å; D367-H403 IonicContact OD2-CD2 3.59Å; D367-H403 IonicContact OD2-NE2 2.78Å; D367-H403 PolarHBondContact OD2-NE2 3.37Å; D367-H403 VanDerWaalsContact OD2-NE2 3.09Å; D387-H403 PolarHBondContact O-CE1 3.12Å
404	E	95	Very high	94.2	Very high	113 Å²	113	37.1 Å²	37.1	53%	0.528	21%	0.205	S	C	.	.	S	Bend	trans	-76.4	-33.5	165.3	-169.3	-167.7	165.5	0	0	110.6	G426 R481	E404-G426 PolarHBondContact O-N 3.48Å; E404-G426 VanDerWaalsContact O-N 3.07Å; E404-R481 IonicContact OE1-NH2 3.27Å; E404-R481 PolarHBondContact OE1-NH2 3.33Å
405	F	97.1	Very high	93.9	Very high	20 Å²	20	38.4 Å²	38.4	9%	0.088	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	136	-178.6	-65.2	-93.6	0	0	0	110.4	F407 V423 R424 V425 K485	F405-F407 HydrophobicContact CB-CE2 3.92Å; F405-F407 HydrophobicContact CB-CZ 4.06Å; F405-V423 HydrophobicContact CD1-CG1 4.47Å; F405-R424 CarbonylContact C-O 3.49Å; F405-R424 VanDerWaalsContact CA-O 3.23Å; F405-R424 WeakPolarHBondContact CA-O 3.41Å; F405-V425 HydrophobicContact CD1-CB 4.01Å; F405-V425 HydrophobicContact CD1-CG1 3.9Å; F405-V425 HydrophobicContact CD1-CG2 3.44Å; F405-V425 VanDerWaalsContact CD1-CG2 3.44Å; F405-V425 HydrophobicContact CE1-CB 3.73Å; F405-V425 HydrophobicContact CE1-CG1 3.21Å; F405-V425 HydrophobicContact CE1-CG2 3.29Å; F405-V425 HydrophobicContact CZ-CG1 3.59Å; F405-V425 HydrophobicContact CZ-CG2 4.46Å; F405-K485 HydrophobicContact CD1-CB 3.65Å; F405-K485 HydrophobicContact CD1-CG 3.48Å; F405-K485 VanDerWaalsContact CD1-CG 3.48Å; F405-K485 HydrophobicContact CD2-CD 4.26Å; F405-K485 HydrophobicContact CD2-CG 3.77Å; F405-K485 HydrophobicContact CE1-CB 3.64Å; F405-K485 HydrophobicContact CE1-CD 4.43Å; F405-K485 HydrophobicContact CE1-CG 3.14Å; F405-K485 HydrophobicContact CE2-CD 3.96Å; F405-K485 HydrophobicContact CE2-CG 3.44Å; F405-K485 VanDerWaalsContact CE2-CG 3.44Å; F405-K485 HydrophobicContact CG-CB 4.2Å; F405-K485 HydrophobicContact CG-CG 3.82Å; F405-K485 HydrophobicContact CZ-CB 4.18Å; F405-K485 HydrophobicContact CZ-CD 4.1Å; F405-K485 HydrophobicContact CZ-CG 3.17Å
406	L	97.3	Very high	93.6	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	134.2	169.9	-167.2	69.9	0	0	0	109.5	H76 Y94 L362 M366 H408 R424	H76-L406 HydrophobicContact CB-CD2 3.51Å; Y94-L406 WeakPolarHBondContact OH-CD1 3.32Å; L362-L406 HydrophobicContact CD1-CD2 4.23Å; L362-L406 HydrophobicContact CD2-CB 4.12Å; L362-L406 HydrophobicContact CG-CB 4.45Å; M366-L406 HydrophobicContact CE-CD1 4.28Å; L406-H408 VanDerWaalsContact CD2-CE1 3.46Å; L406-H408 WeakPolarHBondContact CD2-CE1 3.27Å; L406-R424 HydrophobicContact CB-CB 3.99Å; L406-R424 HydrophobicContact CB-CG 4.49Å; L406-R424 PolarHBondContact N-O 2.87Å; L406-R424 WeakPolarHBondContact O-CB 3.05Å; L406-R424 PolarHBondContact O-N 2.8Å
407	F	97.3	Very high	93.4	Very high	19 Å²	19	47.9 Å²	47.9	8%	0.083	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	134.3	-175.4	-60.1	-86	0	0	0	109.3	Y94 F405 P409 L420 V423 K485 L489	Y94-F407 WeakPolarHBondContact CE1-O 3.48Å; Y94-F407 HydrophobicContact CE2-CB 4.14Å; Y94-F407 HydrophobicContact CE2-CD2 4.3Å; Y94-F407 PolarHBondContact OH-N 3.07Å; Y94-F407 PolarHBondContact OH-O 3.45Å; Y94-F407 VanDerWaalsContact OH-O 3.12Å; F405-F407 HydrophobicContact CB-CE2 3.92Å; F405-F407 HydrophobicContact CB-CZ 4.06Å; F407-P409 WeakPolarHBondContact O-CD 3.33Å; F407-L420 HydrophobicContact CB-CD1 3.67Å; F407-L420 HydrophobicContact CB-CD2 4.45Å; F407-L420 HydrophobicContact CD1-CD1 4.03Å; F407-L420 HydrophobicContact CD1-CD2 3.54Å; F407-L420 HydrophobicContact CD1-CG 4.37Å; F407-L420 HydrophobicContact CE1-CD2 4.15Å; F407-L420 HydrophobicContact CG-CD1 4.34Å; F407-L420 HydrophobicContact CG-CD2 4.34Å; F407-V423 HydrophobicContact CD1-CB 4.35Å; F407-V423 HydrophobicContact CD1-CG1 3.83Å; F407-V423 HydrophobicContact CD1-CG2 3.89Å; F407-V423 HydrophobicContact CE1-CG1 3.67Å; F407-V423 HydrophobicContact CE1-CG2 4.18Å; F407-K485 HydrophobicContact CE1-CB 4.49Å; F407-K485 HydrophobicContact CZ-CB 4.15Å; F407-L489 HydrophobicContact CB-CD2 3.8Å; F407-L489 HydrophobicContact CD1-CD2 3.71Å; F407-L489 HydrophobicContact CD2-CD1 4.29Å; F407-L489 HydrophobicContact CD2-CD2 3.52Å; F407-L489 HydrophobicContact CD2-CG 4.34Å; F407-L489 HydrophobicContact CE1-CB 4.14Å; F407-L489 HydrophobicContact CE1-CD2 4.06Å; F407-L489 HydrophobicContact CE2-CB 4.13Å; F407-L489 HydrophobicContact CE2-CD1 4.17Å; F407-L489 HydrophobicContact CE2-CD2 3.88Å; F407-L489 HydrophobicContact CE2-CG 4.27Å; F407-L489 HydrophobicContact CG-CD2 3.4Å; F407-L489 VanDerWaalsContact CG-CD2 3.4Å; F407-L489 HydrophobicContact CZ-CB 3.86Å; F407-L489 HydrophobicContact CZ-CD2 4.13Å; F407-L489 HydrophobicContact CZ-CG 4.45Å
408	H	95.8	Very high	93.2	Very high	4 Å²	4	41 Å²	41	2%	0.019	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	95	179.4	-54.8	-77.4	0	0	0	108.3	T336 H341 L406 Q421 T422	T336-H408 HydrophobicContact CG2-CB 4Å; H341-H408 AromaticContact CD2-ND1 3.89Å; H341-H408 AromaticContact CE1-CD2 3.95Å; H341-H408 AromaticContact CE1-CE1 3.08Å; H341-H408 PolarHBondContact CE1-CE1 3.31Å; H341-H408 AromaticContact CE1-CG 3.97Å; H341-H408 AromaticContact CE1-ND1 3.46Å; H341-H408 PolarHBondContact CE1-ND1 3.08Å; H341-H408 AromaticContact CE1-NE2 3.41Å; H341-H408 PolarHBondContact CE1-NE2 2.94Å; H341-H408 AromaticContact CG-CE1 3.95Å; H341-H408 AromaticContact CG-ND1 3.72Å; H341-H408 AromaticContact ND1-CE1 3.2Å; H341-H408 PolarHBondContact ND1-CE1 2.03Å; H341-H408 AromaticContact ND1-ND1 3.45Å; H341-H408 PolarHBondContact ND1-ND1 2.9Å; H341-H408 AromaticContact ND1-NE2 3.98Å; H341-H408 AromaticContact NE2-CE1 3.75Å; H341-H408 AromaticContact NE2-CG 3.87Å; H341-H408 AromaticContact NE2-ND1 3.7Å; H341-H408 AromaticContact NE2-NE2 3.95Å; L406-H408 VanDerWaalsContact CD2-CE1 3.46Å; L406-H408 WeakPolarHBondContact CD2-CE1 3.27Å; H408-Q421 PolarHBondContact O-N 2.99Å; H408-T422 PolarHBondContact N-O 3.31Å; H408-T422 PolarHBondContact O-N 2.99Å
409	P	93.3	Very high	93.1	Very high	6 Å²	6	42.4 Å²	42.4	4%	0.039	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	149	171	25.2	-31	0	0	0	110.4	Y94 L96 F407 S411 D419	Y94-P409 HydrophobicContact CD1-CG 4.25Å; L96-P409 HydrophobicContact CD1-CB 3.55Å; L96-P409 HydrophobicContact CD1-CG 4.03Å; F407-P409 WeakPolarHBondContact O-CD 3.33Å; P409-S411 PolarHBondContact O-N 3.28Å; P409-D419 CarbonylContact C-O 3.57Å; P409-D419 WeakPolarHBondContact CA-O 3.41Å
410	N	93.1	Very high	92.9	Very high	5 Å²	5	38.7 Å²	38.7	3%	0.027	22%	0.216	C	C	.	.			trans	-61.6	126.4	170.9	-173.6	21.1	0	0	0	109.9	G412 A414 G415 K416 F417 G418 D419 Q421	N410-G412 PolarHBondContact OD1-N 2.83Å; N410-G412 PolarHBondContact OD1-O 2.91Å; N410-A414 PolarHBondContact ND2-O 2.78Å; N410-A414 PolarHBondContact OD1-O 2.82Å; N410-G415 VanDerWaalsContact ND2-C 3.28Å; N410-G415 PolarHBondContact ND2-O 3.32Å; N410-G415 VanDerWaalsContact ND2-O 3.07Å; N410-K416 VanDerWaalsContact CB-O 3.25Å; N410-K416 WeakPolarHBondContact CB-O 3.33Å; N410-K416 PolarHBondContact ND2-O 2.68Å; N410-F417 PolarHBondContact ND2-N 2.97Å; N410-G418 PolarHBondContact O-N 3.33Å; N410-D419 WeakPolarHBondContact CB-O 3.46Å; N410-D419 PolarHBondContact N-O 3.02Å; N410-Q421 HydrophobicContact CB-CG 3.66Å
411	S	89.5	Confident	92.8	Very high	3 Å²	3	34.8 Å²	34.8	2%	0.021	20%	0.197	C	C	.	.			trans	-128.5	16	171.6	69.2	0	0	0	0	112	S80 T81 P409 F417	S80-S411 PolarHBondContact N-OG 3.44Å; S80-S411 PolarHBondContact OG-OG 2.97Å; T81-S411 WeakPolarHBondContact CG2-O 3.14Å; T81-S411 PolarHBondContact N-OG 3.41Å; T81-S411 WeakPolarHBondContact OG1-CB 3.4Å; T81-S411 PolarHBondContact OG1-O 3.07Å; T81-S411 VanDerWaalsContact OG1-O 3.06Å; T81-S411 PolarHBondContact OG1-OG 3Å; P409-S411 PolarHBondContact O-N 3.28Å; S411-F417 VanDerWaalsContact C-CE1 3.45Å; S411-F417 WeakPolarHBondContact O-CE1 3.4Å
412	G	87.3	Confident	92.9	Very high	5 Å²	5	30.2 Å²	30.2	5%	0.052	17%	0.166	C	C	.	.	S	Bend	trans	168.6	-179.1	178.2	0	0	0	0	0	115.2	Q334 N410 A414	Q334-G412 CarbonylContact O-C 3.56Å; Q334-G412 WeakPolarHBondContact O-CA 3.43Å; N410-G412 PolarHBondContact OD1-N 2.83Å; N410-G412 PolarHBondContact OD1-O 2.91Å; G412-A414 VanDerWaalsContact C-N 3.34Å; G412-A414 PolarHBondContact O-N 3.43Å
413	A	83.6	Confident	93	Very high	29 Å²	29	29.1 Å²	29.1	24%	0.24	15%	0.154	C	C	.	.	S	Bend	trans	56.9	-66.2	173.9	0	0	0	0	0	118.6	Q334 T335 G436 A437	Q334-A413 HydrophobicContact CB-CB 4.01Å; Q334-A413 WeakPolarHBondContact O-CB 3.33Å; T335-A413 HydrophobicContact CG2-CB 4.27Å; A413-G436 CarbonylContact O-C 3.07Å; A413-G436 WeakPolarHBondContact O-CA 3.24Å; A413-G436 VanDerWaalsContact O-O 3.13Å; A413-A437 HydrophobicContact CB-CB 3.59Å
414	A	87.4	Confident	93	Very high	11 Å²	11	28 Å²	28	9%	0.091	15%	0.149	C	C	.	.	S	Bend	trans	-128.8	137.1	-169.8	0	0	0	0	0	113.5	N410 G412 V433 G435 E447	N410-A414 PolarHBondContact ND2-O 2.78Å; N410-A414 PolarHBondContact OD1-O 2.82Å; G412-A414 VanDerWaalsContact C-N 3.34Å; G412-A414 PolarHBondContact O-N 3.43Å; A414-V433 HydrophobicContact CB-CG1 3.77Å; A414-G435 WeakPolarHBondContact CB-O 3.35Å; A414-E447 HydrophobicContact CB-CG 4.28Å
415	G	91.9	Very high	93	Very high	31 Å²	31	22.7 Å²	22.7	32%	0.32	12%	0.124	S	C	.	.	S	Bend	trans	71.7	-168.2	-178.5	0	0	0	0	0	113.2	N410 E447	N410-G415 VanDerWaalsContact ND2-C 3.28Å; N410-G415 PolarHBondContact ND2-O 3.32Å; N410-G415 VanDerWaalsContact ND2-O 3.07Å; G415-E447 PolarHBondContact N-OE2 3.44Å
416	K	93.3	Very high	92.8	Very high	148 Å²	148	23.6 Å²	23.6	64%	0.643	14%	0.139	S	C	*	.	S	Bend	trans	-87.5	139.5	-177.5	179.3	-171.4	173.5	-166.2	0	111.4	N410 G418 D419	N410-K416 VanDerWaalsContact CB-O 3.25Å; N410-K416 WeakPolarHBondContact CB-O 3.33Å; N410-K416 PolarHBondContact ND2-O 2.68Å; K416-G418 PolarHBondContact O-N 2.88Å; K416-D419 WeakPolarHBondContact CB-OD2 3.28Å; K416-D419 WeakPolarHBondContact O-CB 3.35Å; K416-D419 PolarHBondContact O-N 3.44Å
417	F	93.3	Very high	92.7	Very high	95 Å²	95	26.8 Å²	26.8	42%	0.417	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	136.7	175.9	-69.4	-68.1	0	0	0	112	H102 N410 S411 D419	H102-F417 HydrophobicContact CB-CD1 3.7Å; H102-F417 HydrophobicContact CB-CD2 4.16Å; H102-F417 HydrophobicContact CB-CE1 3.71Å; H102-F417 HydrophobicContact CB-CE2 4.2Å; H102-F417 HydrophobicContact CB-CG 3.92Å; H102-F417 HydrophobicContact CB-CZ 3.99Å; N410-F417 PolarHBondContact ND2-N 2.97Å; S411-F417 VanDerWaalsContact C-CE1 3.45Å; S411-F417 WeakPolarHBondContact O-CE1 3.4Å; F417-D419 PolarHBondContact O-N 3.31Å
418	G	90.9	Very high	92.7	Very high	8 Å²	8	26.6 Å²	26.6	8%	0.082	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	84.1	-19	-177.6	0	0	0	0	0	114.5	L96 N410 K416	L96-G418 WeakPolarHBondContact CD1-O 3.29Å; L96-G418 WeakPolarHBondContact CD2-O 3.44Å; L96-G418 WeakPolarHBondContact CG-O 3.29Å; N410-G418 PolarHBondContact O-N 3.33Å; K416-G418 PolarHBondContact O-N 2.88Å
419	D	92.1	Very high	92.8	Very high	71 Å²	71	26.4 Å²	26.4	38%	0.38	15%	0.151	S	C	.	.			trans	-65.5	139.8	-180	-76	4.5	0	0	0	110.9	P409 N410 K416 F417 Q421	P409-D419 CarbonylContact C-O 3.57Å; P409-D419 WeakPolarHBondContact CA-O 3.41Å; N410-D419 WeakPolarHBondContact CB-O 3.46Å; N410-D419 PolarHBondContact N-O 3.02Å; K416-D419 WeakPolarHBondContact CB-OD2 3.28Å; K416-D419 WeakPolarHBondContact O-CB 3.35Å; K416-D419 PolarHBondContact O-N 3.44Å; F417-D419 PolarHBondContact O-N 3.31Å; D419-Q421 VanDerWaalsContact CB-NE2 3.29Å; D419-Q421 PolarHBondContact O-N 2.85Å; D419-Q421 VanDerWaalsContact O-N 3.13Å
420	L	92.2	Very high	93	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	102.8	178.4	-179.6	54.5	0	0	0	110.9	F407 T422 V423 R486 L489 L490	F407-L420 HydrophobicContact CB-CD1 3.67Å; F407-L420 HydrophobicContact CB-CD2 4.45Å; F407-L420 HydrophobicContact CD1-CD1 4.03Å; F407-L420 HydrophobicContact CD1-CD2 3.54Å; F407-L420 HydrophobicContact CD1-CG 4.37Å; F407-L420 HydrophobicContact CE1-CD2 4.15Å; F407-L420 HydrophobicContact CG-CD1 4.34Å; F407-L420 HydrophobicContact CG-CD2 4.34Å; L420-T422 WeakPolarHBondContact CD1-O 3.43Å; L420-V423 HydrophobicContact CD1-CG2 4.41Å; L420-V423 HydrophobicContact CD2-CG2 4.25Å; L420-V423 HydrophobicContact CG-CG2 4.28Å; L420-R486 HydrophobicContact CD2-CB 4.34Å; L420-R486 HydrophobicContact CD2-CG 3.7Å; L420-R486 HydrophobicContact CG-CG 4.43Å; L420-R486 PolarHBondContact O-NE 3.05Å; L420-R486 PolarHBondContact O-NH2 2.7Å; L420-L489 HydrophobicContact CD2-CD2 4.13Å; L420-L490 HydrophobicContact CB-CD2 4.49Å
421	Q	91.6	Very high	93.3	Very high	13 Å²	13	25.9 Å²	25.9	6%	0.061	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-27.4	-175.3	-58.5	-56.9	-14.2	0	0	114	T336 H408 N410 D419 Y432	T336-Q421 HydrophobicContact CG2-CB 4.38Å; H408-Q421 PolarHBondContact O-N 2.99Å; N410-Q421 HydrophobicContact CB-CG 3.66Å; D419-Q421 VanDerWaalsContact CB-NE2 3.29Å; D419-Q421 PolarHBondContact O-N 2.85Å; D419-Q421 VanDerWaalsContact O-N 3.13Å; Q421-Y432 PolarHBondContact O-N 2.71Å
422	T	96.1	Very high	93.6	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	138.3	-174.3	-47.2	0	0	0	0	111.3	T336 H408 L420 K429 A430 F431	T336-T422 WeakPolarHBondContact CB-OG1 3.34Å; T336-T422 PolarHBondContact OG1-OG1 3.3Å; H408-T422 PolarHBondContact N-O 3.31Å; H408-T422 PolarHBondContact O-N 2.99Å; L420-T422 WeakPolarHBondContact CD1-O 3.43Å; T422-K429 HydrophobicContact CG2-CD 4.1Å; T422-K429 VanDerWaalsContact CG2-CE 3.4Å; T422-K429 HydrophobicContact CG2-CG 3.57Å; T422-A430 CarbonylContact C-O 3.57Å; T422-A430 WeakPolarHBondContact CA-O 3.49Å; T422-A430 VanDerWaalsContact CG2-O 3.24Å; T422-A430 WeakPolarHBondContact CG2-O 2.98Å; T422-F431 HydrophobicContact CG2-CD1 4.04Å; T422-F431 HydrophobicContact CG2-CD2 4.14Å; T422-F431 HydrophobicContact CG2-CE1 3.96Å; T422-F431 HydrophobicContact CG2-CE2 4.07Å; T422-F431 HydrophobicContact CG2-CG 4.14Å; T422-F431 HydrophobicContact CG2-CZ 3.98Å; T422-F431 WeakPolarHBondContact OG1-CD1 3.37Å
423	V	97.5	Very high	94	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	122.8	179.6	-174.2	0	0	0	0	108.8	F405 F407 L420 V425 K429 A430 Y432 V482 R486	F405-V423 HydrophobicContact CD1-CG1 4.47Å; F407-V423 HydrophobicContact CD1-CB 4.35Å; F407-V423 HydrophobicContact CD1-CG1 3.83Å; F407-V423 HydrophobicContact CD1-CG2 3.89Å; F407-V423 HydrophobicContact CE1-CG1 3.67Å; F407-V423 HydrophobicContact CE1-CG2 4.18Å; L420-V423 HydrophobicContact CD1-CG2 4.41Å; L420-V423 HydrophobicContact CD2-CG2 4.25Å; L420-V423 HydrophobicContact CG-CG2 4.28Å; V423-V425 HydrophobicContact CG1-CG2 4.07Å; V423-K429 WeakPolarHBondContact O-CA 3.45Å; V423-A430 PolarHBondContact N-O 2.76Å; V423-A430 PolarHBondContact O-N 3.43Å; V423-Y432 HydrophobicContact CG2-CE2 4.19Å; V423-V482 HydrophobicContact CB-CG1 3.99Å; V423-V482 HydrophobicContact CG1-CG1 4.34Å; V423-V482 HydrophobicContact CG2-CG1 4.27Å; V423-R486 HydrophobicContact CG2-CB 4.25Å
424	R	97.2	Very high	94.6	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.011	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	131.3	171.4	-174.8	70.9	175.4	148.1	2.5	108.9	L362 F405 L406 G426 K427 H428	L362-R424 HydrophobicContact CD1-CG 4.16Å; L362-R424 HydrophobicContact CD2-CG 3.7Å; F405-R424 CarbonylContact C-O 3.49Å; F405-R424 VanDerWaalsContact CA-O 3.23Å; F405-R424 WeakPolarHBondContact CA-O 3.41Å; L406-R424 HydrophobicContact CB-CB 3.99Å; L406-R424 HydrophobicContact CB-CG 4.49Å; L406-R424 PolarHBondContact N-O 2.87Å; L406-R424 WeakPolarHBondContact O-CB 3.05Å; L406-R424 PolarHBondContact O-N 2.8Å; R424-G426 PolarHBondContact NE-O 3Å; R424-G426 PolarHBondContact NH2-O 3.22Å; R424-K427 VanDerWaalsContact CZ-C 3.47Å; R424-K427 PolarHBondContact NH1-O 2.77Å; R424-H428 CarbonylContact C-O 3.48Å; R424-H428 WeakPolarHBondContact CA-O 3.38Å; R424-H428 PolarHBondContact NH1-O 3.19Å
425	V	95.8	Very high	94.8	Very high	2 Å²	2	25.8 Å²	25.8	1%	0.012	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	98.3	177.1	-174.3	0	0	0	0	108.6	F405 V423 K427 H428 V482	F405-V425 HydrophobicContact CD1-CB 4.01Å; F405-V425 HydrophobicContact CD1-CG1 3.9Å; F405-V425 HydrophobicContact CD1-CG2 3.44Å; F405-V425 VanDerWaalsContact CD1-CG2 3.44Å; F405-V425 HydrophobicContact CE1-CB 3.73Å; F405-V425 HydrophobicContact CE1-CG1 3.21Å; F405-V425 HydrophobicContact CE1-CG2 3.29Å; F405-V425 HydrophobicContact CZ-CG1 3.59Å; F405-V425 HydrophobicContact CZ-CG2 4.46Å; V423-V425 HydrophobicContact CG1-CG2 4.07Å; V425-K427 PolarHBondContact O-N 3.14Å; V425-H428 PolarHBondContact N-O 3.41Å; V425-H428 PolarHBondContact O-N 2.95Å; V425-V482 HydrophobicContact CG2-CB 4.49Å; V425-V482 HydrophobicContact CG2-CG2 3.47Å; V425-V482 VanDerWaalsContact CG2-CG2 3.47Å
426	G	92.9	Very high	94.8	Very high	38 Å²	38	25.3 Å²	25.3	39%	0.392	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	49	-118.6	-167.7	0	0	0	0	0	110.4	E404 R424	E404-G426 PolarHBondContact O-N 3.48Å; E404-G426 VanDerWaalsContact O-N 3.07Å; R424-G426 PolarHBondContact NE-O 3Å; R424-G426 PolarHBondContact NH2-O 3.22Å
427	K	94.3	Very high	94.7	Very high	69 Å²	69	18.4 Å²	18.4	30%	0.3	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-5.8	-179.3	69.8	178.5	-168.7	135.9	0	116.6	R424 V425 D457 L458 D459	R424-K427 VanDerWaalsContact CZ-C 3.47Å; R424-K427 PolarHBondContact NH1-O 2.77Å; V425-K427 PolarHBondContact O-N 3.14Å; K427-D457 WeakPolarHBondContact CD-OD1 3.47Å; K427-D457 IonicContact NZ-OD1 2.76Å; K427-D457 PolarHBondContact NZ-OD1 3.35Å; K427-D457 VanDerWaalsContact NZ-OD1 3.14Å; K427-D457 IonicContact NZ-OD2 3.14Å; K427-D457 PolarHBondContact NZ-OD2 2.8Å; K427-L458 PolarHBondContact O-N 3.4Å; K427-D459 HydrophobicContact CB-CB 4.42Å; K427-D459 WeakPolarHBondContact CB-OD1 3.29Å; K427-D459 HydrophobicContact CD-CB 3.99Å; K427-D459 WeakPolarHBondContact CD-OD2 3.38Å
428	H	97.6	Very high	94.6	Very high	14 Å²	14	15 Å²	15	7%	0.065	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	141.6	-179.2	-61.6	101.7	0	0	0	111.5	R424 V425 I455 F456 D457 E474 I478	R424-H428 CarbonylContact C-O 3.48Å; R424-H428 WeakPolarHBondContact CA-O 3.38Å; R424-H428 PolarHBondContact NH1-O 3.19Å; V425-H428 PolarHBondContact N-O 3.41Å; V425-H428 PolarHBondContact O-N 2.95Å; H428-I455 HydrophobicContact CB-CG2 4.13Å; H428-F456 CarbonylContact C-O 3.45Å; H428-F456 VanDerWaalsContact CA-O 3.25Å; H428-F456 WeakPolarHBondContact CA-O 3.39Å; H428-D457 IonicContact NE2-OD2 3.63Å; H428-E474 IonicContact CE1-OE1 3.86Å; H428-E474 IonicContact NE2-OE1 3.52Å; H428-E474 PolarHBondContact NE2-OE1 3.44Å; H428-E474 VanDerWaalsContact NE2-OE1 3.11Å; H428-I478 HydrophobicContact CB-CG2 3.69Å; H428-I478 WeakPolarHBondContact ND1-CD1 3.43Å
429	K	98.1	Very high	94.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	122.7	179	-170.8	173.1	168	-165	0	110.5	T336 W337 E338 H341 T422 V423 F431 I455 F456 L458 E464	T336-K429 WeakPolarHBondContact O-CE 3.36Å; T336-K429 PolarHBondContact O-NZ 3.23Å; W337-K429 VanDerWaalsContact C-NZ 3.31Å; E338-K429 HydrophobicContact CG-CD 4.45Å; E338-K429 WeakPolarHBondContact OE1-CD 3.32Å; E338-K429 WeakPolarHBondContact OE1-CE 3.4Å; E338-K429 IonicContact OE1-NZ 3.64Å; E338-K429 PolarHBondContact OE1-NZ 3.45Å; H341-K429 PolarHBondContact NE2-NZ 3.49Å; T422-K429 HydrophobicContact CG2-CD 4.1Å; T422-K429 VanDerWaalsContact CG2-CE 3.4Å; T422-K429 HydrophobicContact CG2-CG 3.57Å; V423-K429 WeakPolarHBondContact O-CA 3.45Å; K429-F431 HydrophobicContact CD-CE2 3.99Å; K429-F431 HydrophobicContact CD-CZ 4.18Å; K429-F431 HydrophobicContact CG-CD2 4.49Å; K429-F431 HydrophobicContact CG-CE2 3.87Å; K429-F431 HydrophobicContact CG-CZ 4.43Å; K429-I455 CarbonylContact O-C 3.53Å; K429-I455 WeakPolarHBondContact O-CA 3.42Å; K429-F456 PolarHBondContact N-O 2.99Å; K429-F456 PolarHBondContact O-N 2.98Å; K429-L458 HydrophobicContact CD-CD1 4.36Å; K429-E464 WeakPolarHBondContact CD-OE1 3.09Å; K429-E464 WeakPolarHBondContact CE-OE1 3.01Å; K429-E464 IonicContact NZ-OE1 2.6Å; K429-E464 PolarHBondContact NZ-OE1 2.89Å; K429-E464 IonicContact NZ-OE2 2.74Å
430	A	98.4	Very high	94.6	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.008	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.6	-174	0	0	0	0	0	111.6	T422 V423 P453 L454 I455 V482	T422-A430 CarbonylContact C-O 3.57Å; T422-A430 WeakPolarHBondContact CA-O 3.49Å; T422-A430 VanDerWaalsContact CG2-O 3.24Å; T422-A430 WeakPolarHBondContact CG2-O 2.98Å; V423-A430 PolarHBondContact N-O 2.76Å; V423-A430 PolarHBondContact O-N 3.43Å; A430-P453 HydrophobicContact CB-CB 4.41Å; A430-L454 CarbonylContact C-O 3.46Å; A430-L454 VanDerWaalsContact CA-O 3.22Å; A430-L454 WeakPolarHBondContact CA-O 3.38Å; A430-I455 HydrophobicContact CB-CG1 3.92Å; A430-V482 HydrophobicContact CB-CB 4.34Å; A430-V482 HydrophobicContact CB-CG1 3.64Å; A430-V482 HydrophobicContact CB-CG2 3.85Å
431	F	97.8	Very high	94.4	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	123.4	179.6	-72	-100.9	0	0	0	111	W337 T422 K429 T434 P453 L454 F456 E464	W337-F431 AromaticContact CD2-CE1 3.8Å; W337-F431 HydrophobicContact CD2-CE1 3.8Å; W337-F431 AromaticContact CD2-CZ 3.84Å; W337-F431 HydrophobicContact CD2-CZ 3.84Å; W337-F431 AromaticContact CE3-CE1 3.92Å; W337-F431 HydrophobicContact CE3-CE1 3.92Å; W337-F431 HydrophobicContact CE3-CE2 4.15Å; W337-F431 AromaticContact CE3-CZ 3.5Å; W337-F431 HydrophobicContact CE3-CZ 3.5Å; W337-F431 HydrophobicContact CG-CE1 4.27Å; W337-F431 HydrophobicContact CG-CZ 4.44Å; W337-F431 HydrophobicContact CH2-CE1 4.4Å; W337-F431 HydrophobicContact CH2-CZ 4.4Å; W337-F431 HydrophobicContact CZ2-CD1 4.49Å; W337-F431 HydrophobicContact CZ2-CE1 4.3Å; W337-F431 HydrophobicContact CZ3-CE1 4.22Å; W337-F431 HydrophobicContact CZ3-CE2 4.05Å; W337-F431 AromaticContact CZ3-CZ 3.82Å; W337-F431 HydrophobicContact CZ3-CZ 3.82Å; T422-F431 HydrophobicContact CG2-CD1 4.04Å; T422-F431 HydrophobicContact CG2-CD2 4.14Å; T422-F431 HydrophobicContact CG2-CE1 3.96Å; T422-F431 HydrophobicContact CG2-CE2 4.07Å; T422-F431 HydrophobicContact CG2-CG 4.14Å; T422-F431 HydrophobicContact CG2-CZ 3.98Å; T422-F431 WeakPolarHBondContact OG1-CD1 3.37Å; K429-F431 HydrophobicContact CD-CE2 3.99Å; K429-F431 HydrophobicContact CD-CZ 4.18Å; K429-F431 HydrophobicContact CG-CD2 4.49Å; K429-F431 HydrophobicContact CG-CE2 3.87Å; K429-F431 HydrophobicContact CG-CZ 4.43Å; F431-T434 HydrophobicContact CB-CG2 4.04Å; F431-T434 HydrophobicContact CD1-CG2 4.22Å; F431-T434 HydrophobicContact CG-CG2 4.37Å; F431-P453 CarbonylContact O-C 3.36Å; F431-P453 VanDerWaalsContact O-CA 3.31Å; F431-P453 WeakPolarHBondContact O-CA 3.47Å; F431-P453 WeakPolarHBondContact O-CB 3.14Å; F431-L454 HydrophobicContact CB-CB 4.4Å; F431-L454 PolarHBondContact N-O 3.08Å; F431-L454 PolarHBondContact O-N 3.3Å; F431-F456 AromaticContact CD2-CD2 3.66Å; F431-F456 HydrophobicContact CD2-CD2 3.66Å; F431-F456 AromaticContact CD2-CE2 3.65Å; F431-F456 HydrophobicContact CD2-CE2 3.65Å; F431-F456 AromaticContact CE2-CD2 3.76Å; F431-F456 HydrophobicContact CE2-CD2 3.76Å; F431-F456 AromaticContact CE2-CE2 3.97Å; F431-F456 HydrophobicContact CE2-CE2 3.97Å; F431-F456 HydrophobicContact CG-CE2 4.47Å; F431-E464 WeakPolarHBondContact CE2-OE1 3.29Å; F431-E464 VanDerWaalsContact CZ-OE1 3.23Å; F431-E464 WeakPolarHBondContact CZ-OE1 3.36Å
432	Y	96.5	Very high	94.1	Very high	28 Å²	28	21.6 Å²	21.6	11%	0.11	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	-30.6	171.9	-69.2	-83.9	0	0	0	112	Q421 V423 L449 H450 P453 V482	Q421-Y432 PolarHBondContact O-N 2.71Å; V423-Y432 HydrophobicContact CG2-CE2 4.19Å; Y432-L449 CarbonylContact O-C 3.46Å; Y432-H450 PolarHBondContact O-N 2.83Å; Y432-P453 HydrophobicContact CD1-CB 3.97Å; Y432-P453 HydrophobicContact CD1-CG 4.44Å; Y432-P453 HydrophobicContact CE1-CB 3.92Å; Y432-P453 HydrophobicContact CE1-CG 3.9Å; Y432-P453 HydrophobicContact CE2-CB 4.47Å; Y432-P453 HydrophobicContact CG-CB 4.3Å; Y432-V482 HydrophobicContact CE2-CG1 4.17Å; Y432-V482 WeakPolarHBondContact OH-CG1 3.29Å
433	V	95.4	Very high	93.7	Very high	11 Å²	11	22.8 Å²	22.8	7%	0.067	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	142.3	174	179	0	0	0	0	109.5	A414 E447 Q448 L449	A414-V433 HydrophobicContact CB-CG1 3.77Å; V433-E447 HydrophobicContact CG1-CG 3.82Å; V433-Q448 VanDerWaalsContact CA-O 3.28Å; V433-Q448 WeakPolarHBondContact CA-O 3.36Å; V433-L449 HydrophobicContact CG2-CD1 3.75Å
434	T	95.4	Very high	93.4	Very high	2 Å²	2	26.6 Å²	26.6	1%	0.012	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	172.2	174.3	60.5	0	0	0	0	110.1	W323 W337 F431 E447 Q448 H450 L454	W323-T434 HydrophobicContact CE3-CG2 4.3Å; W323-T434 HydrophobicContact CH2-CG2 4.11Å; W323-T434 WeakPolarHBondContact CH2-OG1 3.46Å; W323-T434 VanDerWaalsContact CZ3-CB 3.43Å; W323-T434 HydrophobicContact CZ3-CG2 3.87Å; W323-T434 VanDerWaalsContact CZ3-OG1 3.23Å; W323-T434 WeakPolarHBondContact CZ3-OG1 3.36Å; W337-T434 HydrophobicContact CH2-CG2 4.1Å; W337-T434 HydrophobicContact CZ2-CG2 3.67Å; F431-T434 HydrophobicContact CB-CG2 4.04Å; F431-T434 HydrophobicContact CD1-CG2 4.22Å; F431-T434 HydrophobicContact CG-CG2 4.37Å; T434-E447 CarbonylContact O-C 3.58Å; T434-E447 VanDerWaalsContact O-CA 3.29Å; T434-E447 WeakPolarHBondContact O-CA 3.23Å; T434-Q448 PolarHBondContact N-O 2.67Å; T434-Q448 PolarHBondContact O-N 3.31Å; T434-H450 WeakPolarHBondContact CG2-NE2 3.28Å; T434-H450 PolarHBondContact OG1-NE2 3.32Å; T434-L454 HydrophobicContact CG2-CD1 4.25Å
435	G	93.6	Very high	93	Very high	4 Å²	4	26.6 Å²	26.6	4%	0.041	19%	0.194	C	C	.	.			trans	92.9	-156.4	178.3	0	0	0	0	0	113	Q324 A414 A437 Q446	Q324-G435 PolarHBondContact NE2-O 2.96Å; Q324-G435 VanDerWaalsContact OE1-CA 3.26Å; A414-G435 WeakPolarHBondContact CB-O 3.35Å; G435-A437 PolarHBondContact O-N 2.72Å; G435-Q446 WeakPolarHBondContact CA-O 3.39Å
436	G	90.9	Very high	92.8	Very high	21 Å²	21	33.7 Å²	33.7	22%	0.216	23%	0.227	C	C	.	.			trans	72.5	-14.9	169.2	0	0	0	0	0	117.2	A413 G445	A413-G436 CarbonylContact O-C 3.07Å; A413-G436 WeakPolarHBondContact O-CA 3.24Å; A413-G436 VanDerWaalsContact O-O 3.13Å; G436-G445 PolarHBondContact N-O 3.35Å
437	A	91.2	Very high	92.9	Very high	3 Å²	3	37.3 Å²	37.3	3%	0.025	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-96.9	134.7	-174.9	0	0	0	0	0	111.9	G329 G330 T335 A413 G435	G329-A437 CarbonylContact C-O 3.53Å; G329-A437 WeakPolarHBondContact CA-O 3.36Å; G330-A437 PolarHBondContact N-O 2.78Å; G330-A437 WeakPolarHBondContact O-CB 3.19Å; T335-A437 HydrophobicContact CG2-CB 3.24Å; A413-A437 HydrophobicContact CB-CB 3.59Å; G435-A437 PolarHBondContact O-N 2.72Å
438	A	91.4	Very high	92.9	Very high	25 Å²	25	37.3 Å²	37.3	21%	0.207	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-80.2	142.3	174.7	0	0	0	0	0	111.5	E308 G443	E308-A438 HydrophobicContact CG-CB 3.74Å; E308-A438 WeakPolarHBondContact CG-O 3.32Å; A438-G443 CarbonylContact C-O 3.42Å; A438-G443 VanDerWaalsContact CA-O 3.26Å; A438-G443 WeakPolarHBondContact CA-O 3.46Å
439	A	92.1	Very high	92.9	Very high	11 Å²	11	43.2 Å²	43.2	9%	0.091	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-98.8	166.2	174.2	0	0	0	0	0	110.7	S441 G442 G443	A439-S441 PolarHBondContact O-N 3.08Å; A439-S441 VanDerWaalsContact O-N 3.13Å; A439-G442 PolarHBondContact O-N 3.2Å; A439-G443 PolarHBondContact N-O 3.5Å
440	C	90.9	Very high	92.8	Very high	58 Å²	58	44.3 Å²	44.3	39%	0.392	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-33.4	171.1	167.7	0	0	0	0	113.2	E307 C310 G442	E307-C440 HydrophobicContact CG-CB 4.45Å; E307-C440 WeakPolarHBondContact O-CB 3.33Å; C310-C440 VanDerWaalsContact CA-SG 3.53Å; C310-C440 HydrophobicContact CB-CB 4.09Å; C310-C440 WeakPolarHBondContact CB-SG 3.49Å; C310-C440 WeakPolarHBondContact SG-CA 3.46Å; C310-C440 WeakPolarHBondContact SG-CB 3.47Å; C310-C440 PolarHBondContact SG-O 3.29Å; C310-C440 CovalentContact SG-SG 2.03Å; C310-C440 PolarHBondContact SG-SG 3.31Å; C440-G442 PolarHBondContact O-N 3.14Å; C440-G442 VanDerWaalsContact O-N 3.08Å
441	S	87.1	Confident	92.6	Very high	101 Å²	101	51.5 Å²	51.5	71%	0.706	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-5	177.7	61.2	0	0	0	0	114.3	A439 G443	A439-S441 PolarHBondContact O-N 3.08Å; A439-S441 VanDerWaalsContact O-N 3.13Å; S441-G443 PolarHBondContact O-N 2.81Å
442	G	85.2	Confident	92.5	Very high	62 Å²	62	54.4 Å²	54.4	64%	0.639	33%	0.328	S	S	*	.	S	Bend	trans	79.9	-2.5	-173.6	0	0	0	0	0	113.9	A439 C440	A439-G442 PolarHBondContact O-N 3.2Å; C440-G442 PolarHBondContact O-N 3.14Å; C440-G442 VanDerWaalsContact O-N 3.08Å
443	G	89.1	Confident	92.6	Very high	26 Å²	26	53.5 Å²	53.5	27%	0.268	33%	0.326	S	S	.	.			trans	-69.7	149.8	171.9	0	0	0	0	0	111.6	G328 A438 A439 S441	G328-G443 CarbonylContact O-C 3.6Å; G328-G443 WeakPolarHBondContact O-CA 3.44Å; A438-G443 CarbonylContact C-O 3.42Å; A438-G443 VanDerWaalsContact CA-O 3.26Å; A438-G443 WeakPolarHBondContact CA-O 3.46Å; A439-G443 PolarHBondContact N-O 3.5Å; S441-G443 PolarHBondContact O-N 2.81Å
444	T	91.3	Very high	92.7	Very high	79 Å²	79	53.6 Å²	53.6	49%	0.485	33%	0.326	S	S	.	.	B	Isolated β-bridge	trans	-125.9	121.9	168.4	-52.6	0	0	0	0	108	G328	G328-T444 PolarHBondContact O-N 2.79Å
445	G	88	Confident	92.8	Very high	3 Å²	3	53.5 Å²	53.5	3%	0.031	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-62.5	139.8	176.8	0	0	0	0	0	110.4	G329 G436 E447	G329-G445 VanDerWaalsContact CA-N 3.27Å; G436-G445 PolarHBondContact N-O 3.35Å; G445-E447 PolarHBondContact O-N 3.29Å
446	Q	91.6	Very high	93.1	Very high	152 Å²	152	53.4 Å²	53.4	71%	0.71	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-64.3	130.1	177.3	-73	-71.4	-48.9	0	0	110.5	G435 Q448	G435-Q446 WeakPolarHBondContact CA-O 3.39Å; Q446-Q448 PolarHBondContact O-N 3.37Å
447	E	94.9	Very high	93.4	Very high	114 Å²	114	52.8 Å²	52.8	53%	0.533	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-59.9	130.9	171.8	-175.7	176.8	124.1	0	0	110.2	A414 G415 V433 T434 G445	A414-E447 HydrophobicContact CB-CG 4.28Å; G415-E447 PolarHBondContact N-OE2 3.44Å; V433-E447 HydrophobicContact CG1-CG 3.82Å; T434-E447 CarbonylContact O-C 3.58Å; T434-E447 VanDerWaalsContact O-CA 3.29Å; T434-E447 WeakPolarHBondContact O-CA 3.23Å; G445-E447 PolarHBondContact O-N 3.29Å
448	Q	95	Very high	93.6	Very high	69 Å²	69	52.7 Å²	52.7	32%	0.322	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	129.3	-179.2	-69.6	171.6	36.1	0	0	110.1	V433 T434 Q446 H450	V433-Q448 VanDerWaalsContact CA-O 3.28Å; V433-Q448 WeakPolarHBondContact CA-O 3.36Å; T434-Q448 PolarHBondContact N-O 2.67Å; T434-Q448 PolarHBondContact O-N 3.31Å; Q446-Q448 PolarHBondContact O-N 3.37Å; Q448-H450 PolarHBondContact O-CD2 2.81Å; Q448-H450 PolarHBondContact O-NE2 3.38Å
449	L	96.4	Very high	93.7	Very high	138 Å²	138	57.4 Å²	57.4	72%	0.723	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	139.2	169.6	-177.5	71.4	0	0	0	109.8	Y432 V433	Y432-L449 CarbonylContact O-C 3.46Å; V433-L449 HydrophobicContact CG2-CD1 3.75Å
450	H	96.4	Very high	93.7	Very high	23 Å²	23	64.5 Å²	64.5	11%	0.106	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	113.5	179.8	-56.4	-75.3	0	0	0	110.5	Y432 T434 Q448 P452 L454	Y432-H450 PolarHBondContact O-N 2.83Å; T434-H450 WeakPolarHBondContact CG2-NE2 3.28Å; T434-H450 PolarHBondContact OG1-NE2 3.32Å; Q448-H450 PolarHBondContact O-CD2 2.81Å; Q448-H450 PolarHBondContact O-NE2 3.38Å; H450-P452 CarbonylContact C-O 3.38Å; H450-L454 HydrophobicContact CB-CG 4.32Å
451	D	94.6	Very high	93.7	Very high	151 Å²	151	64.4 Å²	64.4	81%	0.807	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.9	105.4	169.8	-171.4	9.9	0	0	0	108.8
452	P	95.4	Very high	94	Very high	61 Å²	61	62.9 Å²	62.9	40%	0.396	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	cis	-76.3	161.5	6.6	38.7	-41	0	0	0	112.3	H450 F470 Y475	H450-P452 CarbonylContact C-O 3.38Å; P452-F470 HydrophobicContact CG-CD1 4.08Å; P452-F470 HydrophobicContact CG-CE1 4.05Å; P452-Y475 HydrophobicContact CB-CE1 4.42Å; P452-Y475 VanDerWaalsContact CB-OH 3.23Å; P452-Y475 WeakPolarHBondContact CB-OH 3.29Å; P452-Y475 HydrophobicContact CG-CE1 4.43Å
453	P	97.8	Very high	94.5	Very high	9 Å²	9	60.3 Å²	60.3	6%	0.058	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	153.3	-170.9	27.8	-36.1	0	0	0	113	A430 F431 Y432 Y475	A430-P453 HydrophobicContact CB-CB 4.41Å; F431-P453 CarbonylContact O-C 3.36Å; F431-P453 VanDerWaalsContact O-CA 3.31Å; F431-P453 WeakPolarHBondContact O-CA 3.47Å; F431-P453 WeakPolarHBondContact O-CB 3.14Å; Y432-P453 HydrophobicContact CD1-CB 3.97Å; Y432-P453 HydrophobicContact CD1-CG 4.44Å; Y432-P453 HydrophobicContact CE1-CB 3.92Å; Y432-P453 HydrophobicContact CE1-CG 3.9Å; Y432-P453 HydrophobicContact CE2-CB 4.47Å; Y432-P453 HydrophobicContact CG-CB 4.3Å; P453-Y475 WeakPolarHBondContact O-CE2 3.44Å; P453-Y475 PolarHBondContact O-OH 3.19Å
454	L	98.3	Very high	94.9	Very high	14 Å²	14	59.1 Å²	59.1	7%	0.073	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	133.5	167.1	-61.9	179.6	0	0	0	109.2	W323 A430 F431 T434 H450 F456 P467 F470	W323-L454 HydrophobicContact CD2-CD1 4.41Å; W323-L454 HydrophobicContact CH2-CD1 4.32Å; W323-L454 HydrophobicContact CZ2-CD1 3.56Å; A430-L454 CarbonylContact C-O 3.46Å; A430-L454 VanDerWaalsContact CA-O 3.22Å; A430-L454 WeakPolarHBondContact CA-O 3.38Å; F431-L454 HydrophobicContact CB-CB 4.4Å; F431-L454 PolarHBondContact N-O 3.08Å; F431-L454 PolarHBondContact O-N 3.3Å; T434-L454 HydrophobicContact CG2-CD1 4.25Å; H450-L454 HydrophobicContact CB-CG 4.32Å; L454-F456 HydrophobicContact CB-CE2 3.92Å; L454-F456 HydrophobicContact CB-CZ 4.44Å; L454-P467 HydrophobicContact CB-CB 4.31Å; L454-P467 HydrophobicContact CD2-CB 4.26Å; L454-P467 HydrophobicContact CD2-CG 4.25Å; L454-F470 HydrophobicContact CD2-CZ 4.04Å
455	I	98.4	Very high	95.2	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	127.1	179.4	-58.3	179.1	0	0	0	109.3	H428 K429 A430 P467 L468 Y475 I478 A479	H428-I455 HydrophobicContact CB-CG2 4.13Å; K429-I455 CarbonylContact O-C 3.53Å; K429-I455 WeakPolarHBondContact O-CA 3.42Å; A430-I455 HydrophobicContact CB-CG1 3.92Å; I455-P467 CarbonylContact O-C 3.57Å; I455-P467 VanDerWaalsContact O-CA 3.31Å; I455-P467 WeakPolarHBondContact O-CA 3.43Å; I455-L468 HydrophobicContact CB-CD1 4.39Å; I455-L468 HydrophobicContact CG2-CD1 3.87Å; I455-L468 HydrophobicContact CG2-CG 4.46Å; I455-L468 WeakPolarHBondContact O-CG 3.43Å; I455-L468 PolarHBondContact O-N 2.92Å; I455-Y475 HydrophobicContact CB-CD2 4.17Å; I455-Y475 HydrophobicContact CB-CE2 4Å; I455-Y475 HydrophobicContact CD1-CD2 3.85Å; I455-Y475 HydrophobicContact CD1-CE2 3.5Å; I455-Y475 VanDerWaalsContact CD1-CE2 3.5Å; I455-Y475 HydrophobicContact CG1-CD2 4.16Å; I455-Y475 HydrophobicContact CG1-CE2 3.61Å; I455-I478 HydrophobicContact CD1-CB 4.36Å; I455-I478 HydrophobicContact CD1-CG2 4.09Å; I455-I478 HydrophobicContact CG2-CG2 3.99Å; I455-A479 HydrophobicContact CD1-CB 3.85Å
456	F	98.3	Very high	95.6	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.009	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	147.1	176.4	-59.5	-94.7	0	0	0	110.3	W323 W337 H428 K429 F431 L454 L458 E464 P467	W323-F456 HydrophobicContact CB-CE1 4.18Å; W323-F456 HydrophobicContact CB-CZ 4.06Å; W323-F456 AromaticContact CD1-CZ 3.97Å; W323-F456 HydrophobicContact CG-CE1 4.41Å; W323-F456 AromaticContact CG-CZ 3.99Å; W323-F456 HydrophobicContact CG-CZ 3.99Å; W337-F456 HydrophobicContact CH2-CE2 4.19Å; W337-F456 HydrophobicContact CH2-CZ 4.06Å; W337-F456 HydrophobicContact CZ3-CE2 4.02Å; W337-F456 AromaticContact CZ3-CZ 3.98Å; W337-F456 HydrophobicContact CZ3-CZ 3.98Å; H428-F456 CarbonylContact C-O 3.45Å; H428-F456 VanDerWaalsContact CA-O 3.25Å; H428-F456 WeakPolarHBondContact CA-O 3.39Å; K429-F456 PolarHBondContact N-O 2.99Å; K429-F456 PolarHBondContact O-N 2.98Å; F431-F456 AromaticContact CD2-CD2 3.66Å; F431-F456 HydrophobicContact CD2-CD2 3.66Å; F431-F456 AromaticContact CD2-CE2 3.65Å; F431-F456 HydrophobicContact CD2-CE2 3.65Å; F431-F456 AromaticContact CE2-CD2 3.76Å; F431-F456 HydrophobicContact CE2-CD2 3.76Å; F431-F456 AromaticContact CE2-CE2 3.97Å; F431-F456 HydrophobicContact CE2-CE2 3.97Å; F431-F456 HydrophobicContact CG-CE2 4.47Å; L454-F456 HydrophobicContact CB-CE2 3.92Å; L454-F456 HydrophobicContact CB-CZ 4.44Å; F456-L458 HydrophobicContact CB-CD2 4.44Å; F456-E464 HydrophobicContact CD1-CB 4.15Å; F456-E464 HydrophobicContact CE1-CB 4.44Å; F456-E464 VanDerWaalsContact CE1-O 3.29Å; F456-E464 WeakPolarHBondContact CE1-O 3.41Å; F456-E464 HydrophobicContact CG-CB 4.33Å; F456-P467 HydrophobicContact CD1-CB 4.31Å; F456-P467 HydrophobicContact CE1-CB 3.95Å; F456-P467 HydrophobicContact CE1-CG 4.35Å; F456-P467 HydrophobicContact CE2-CB 4.45Å; F456-P467 HydrophobicContact CZ-CB 4.03Å; F456-P467 HydrophobicContact CZ-CG 4.46Å
457	D	97.6	Very high	95.9	Very high	7 Å²	7	58.9 Å²	58.9	4%	0.037	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	102.7	173.4	-176.7	-9.3	0	0	0	108.2	K427 H428 D459 R460 E461 L468	K427-D457 WeakPolarHBondContact CD-OD1 3.47Å; K427-D457 IonicContact NZ-OD1 2.76Å; K427-D457 PolarHBondContact NZ-OD1 3.35Å; K427-D457 VanDerWaalsContact NZ-OD1 3.14Å; K427-D457 IonicContact NZ-OD2 3.14Å; K427-D457 PolarHBondContact NZ-OD2 2.8Å; H428-D457 IonicContact NE2-OD2 3.63Å; D457-D459 VanDerWaalsContact C-N 3.28Å; D457-D459 PolarHBondContact O-N 3.23Å; D457-D459 PolarHBondContact OD1-N 3.39Å; D457-R460 HydrophobicContact CB-CB 4.39Å; D457-R460 HydrophobicContact CB-CG 4.14Å; D457-R460 PolarHBondContact O-N 3.25Å; D457-R460 VanDerWaalsContact O-N 3.14Å; D457-R460 IonicContact OD2-CZ 2.66Å; D457-R460 IonicContact OD2-NE 2.78Å; D457-R460 PolarHBondContact OD2-NE 3.16Å; D457-R460 IonicContact OD2-NH2 2.91Å; D457-E461 PolarHBondContact O-N 3.48Å; D457-L468 HydrophobicContact CB-CD2 4.34Å
458	L	96	Very high	96	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.01	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-22.1	-172.1	-60	-171.1	0	0	0	112.7	E338 K427 K429 F456 R460 E461 D462 E464	E338-L458 VanDerWaalsContact CD-CD1 3.41Å; E338-L458 HydrophobicContact CG-CD1 3.67Å; E338-L458 HydrophobicContact CG-CD2 4.34Å; E338-L458 WeakPolarHBondContact OE2-CD1 3.07Å; K427-L458 PolarHBondContact O-N 3.4Å; K429-L458 HydrophobicContact CD-CD1 4.36Å; F456-L458 HydrophobicContact CB-CD2 4.44Å; L458-R460 PolarHBondContact O-N 2.94Å; L458-E461 CarbonylContact O-C 3.59Å; L458-E461 PolarHBondContact O-N 3.13Å; L458-D462 VanDerWaalsContact O-OD1 3.12Å; L458-E464 HydrophobicContact CD2-CG 3.52Å
459	D	92.9	Very high	96.1	Very high	123 Å²	123	57.8 Å²	57.8	66%	0.658	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-22.9	173.9	-70.3	3.7	0	0	0	111.8	K427 D457	K427-D459 HydrophobicContact CB-CB 4.42Å; K427-D459 WeakPolarHBondContact CB-OD1 3.29Å; K427-D459 HydrophobicContact CD-CB 3.99Å; K427-D459 WeakPolarHBondContact CD-OD2 3.38Å; D457-D459 VanDerWaalsContact C-N 3.28Å; D457-D459 PolarHBondContact O-N 3.23Å; D457-D459 PolarHBondContact OD1-N 3.39Å
460	R	92.6	Very high	96.2	Very high	160 Å²	160	56 Å²	56	60%	0.604	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-41.2	174.6	-67.1	-178.3	-164.4	179	2.8	110.9	D457 L458 E474	D457-R460 HydrophobicContact CB-CB 4.39Å; D457-R460 HydrophobicContact CB-CG 4.14Å; D457-R460 PolarHBondContact O-N 3.25Å; D457-R460 VanDerWaalsContact O-N 3.14Å; D457-R460 IonicContact OD2-CZ 2.66Å; D457-R460 IonicContact OD2-NE 2.78Å; D457-R460 PolarHBondContact OD2-NE 3.16Å; D457-R460 IonicContact OD2-NH2 2.91Å; L458-R460 PolarHBondContact O-N 2.94Å; R460-E474 IonicContact CZ-OE1 2.93Å; R460-E474 IonicContact CZ-OE2 3.11Å; R460-E474 IonicContact NH1-OE2 3.78Å; R460-E474 IonicContact NH2-OE1 3.75Å; R460-E474 PolarHBondContact NH2-OE1 2.63Å; R460-E474 IonicContact NH2-OE2 3.51Å; R460-E474 PolarHBondContact NH2-OE2 3.4Å
461	E	91.4	Very high	96.1	Very high	57 Å²	57	58.5 Å²	58.5	27%	0.266	31%	0.308	S	S	.	.			trans	-158.8	110.2	-172.7	-159.2	-90.3	151.3	0	0	110.7	D457 L458 A463 E464 E465	D457-E461 PolarHBondContact O-N 3.48Å; L458-E461 CarbonylContact O-C 3.59Å; L458-E461 PolarHBondContact O-N 3.13Å; E461-A463 PolarHBondContact O-N 3.03Å; E461-A463 VanDerWaalsContact OE1-CA 3.26Å; E461-A463 WeakPolarHBondContact OE1-CA 3.41Å; E461-A463 WeakPolarHBondContact OE1-CB 3.27Å; E461-A463 PolarHBondContact OE1-N 3.27Å; E461-E464 PolarHBondContact OE2-N 2.86Å; E461-E465 WeakPolarHBondContact OE2-CB 3.32Å; E461-E465 PolarHBondContact OE2-N 3.38Å
462	D	92.9	Very high	96.3	Very high	69 Å²	69	53.5 Å²	53.5	37%	0.369	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-18.8	-176.9	-76.8	-42.3	0	0	0	113.4	P318 F319 L458 E464	P318-D462 HydrophobicContact CB-CB 4.29Å; F319-D462 HydrophobicContact CD1-CB 3.99Å; F319-D462 WeakPolarHBondContact CD1-O 3.13Å; F319-D462 HydrophobicContact CE1-CB 3.69Å; L458-D462 VanDerWaalsContact O-OD1 3.12Å; D462-E464 VanDerWaalsContact C-N 3.32Å; D462-E464 PolarHBondContact O-N 2.98Å
463	A	96.1	Very high	96.4	Very high	8 Å²	8	54.4 Å²	54.4	7%	0.066	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	5.2	-173.9	0	0	0	0	0	114.3	P318 T320 G321 K322 E461 E465	P318-A463 WeakPolarHBondContact O-CA 3.47Å; P318-A463 VanDerWaalsContact O-CB 3.22Å; P318-A463 WeakPolarHBondContact O-CB 3.33Å; T320-A463 WeakPolarHBondContact OG1-CB 3.42Å; G321-A463 CarbonylContact C-O 3.56Å; G321-A463 WeakPolarHBondContact CA-O 3.41Å; G321-A463 PolarHBondContact N-O 3.12Å; G321-A463 VanDerWaalsContact N-O 3.1Å; K322-A463 HydrophobicContact CD-CB 4.31Å; K322-A463 HydrophobicContact CG-CB 4.18Å; K322-A463 PolarHBondContact N-O 3.02Å; E461-A463 PolarHBondContact O-N 3.03Å; E461-A463 VanDerWaalsContact OE1-CA 3.26Å; E461-A463 WeakPolarHBondContact OE1-CA 3.41Å; E461-A463 WeakPolarHBondContact OE1-CB 3.27Å; E461-A463 PolarHBondContact OE1-N 3.27Å; A463-E465 VanDerWaalsContact C-N 3.34Å; A463-E465 PolarHBondContact O-N 3.3Å
464	E	97	Very high	96.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.306	C	S	.	.			trans	53.8	46.8	175.2	-57.3	168.4	111	0	0	112.7	W323 W337 E338 K429 F431 F456 L458 E461 D462	W323-E464 WeakPolarHBondContact CB-O 3.43Å; W323-E464 PolarHBondContact N-O 2.85Å; W337-E464 HydrophobicContact CE3-CB 3.78Å; W337-E464 HydrophobicContact CE3-CG 4.3Å; W337-E464 HydrophobicContact CZ3-CB 3.73Å; E338-E464 WeakPolarHBondContact CB-OE2 3.42Å; E338-E464 HydrophobicContact CG-CG 4.22Å; E338-E464 WeakPolarHBondContact CG-OE2 3.43Å; E338-E464 PolarHBondContact N-OE2 3.37Å; K429-E464 WeakPolarHBondContact CD-OE1 3.09Å; K429-E464 WeakPolarHBondContact CE-OE1 3.01Å; K429-E464 IonicContact NZ-OE1 2.6Å; K429-E464 PolarHBondContact NZ-OE1 2.89Å; K429-E464 IonicContact NZ-OE2 2.74Å; F431-E464 WeakPolarHBondContact CE2-OE1 3.29Å; F431-E464 VanDerWaalsContact CZ-OE1 3.23Å; F431-E464 WeakPolarHBondContact CZ-OE1 3.36Å; F456-E464 HydrophobicContact CD1-CB 4.15Å; F456-E464 HydrophobicContact CE1-CB 4.44Å; F456-E464 VanDerWaalsContact CE1-O 3.29Å; F456-E464 WeakPolarHBondContact CE1-O 3.41Å; F456-E464 HydrophobicContact CG-CB 4.33Å; L458-E464 HydrophobicContact CD2-CG 3.52Å; E461-E464 PolarHBondContact OE2-N 2.86Å; D462-E464 VanDerWaalsContact C-N 3.32Å; D462-E464 PolarHBondContact O-N 2.98Å
465	E	96.9	Very high	96.3	Very high	87 Å²	87	56.5 Å²	56.5	41%	0.407	30%	0.304	S	S	.	.			trans	-85	-52	-176.5	-173.2	168.2	-179.7	0	0	112.2	K322 E461 A463	K322-E465 HydrophobicContact CB-CB 3.72Å; K322-E465 HydrophobicContact CB-CG 3.83Å; K322-E465 HydrophobicContact CD-CB 4.01Å; K322-E465 VanDerWaalsContact CD-CD 3.45Å; K322-E465 HydrophobicContact CD-CG 3.93Å; K322-E465 WeakPolarHBondContact CD-OE2 3.37Å; K322-E465 IonicContact NZ-OE2 3.11Å; K322-E465 PolarHBondContact NZ-OE2 3.18Å; E461-E465 WeakPolarHBondContact OE2-CB 3.32Å; E461-E465 PolarHBondContact OE2-N 3.38Å; A463-E465 VanDerWaalsContact C-N 3.34Å; A463-E465 PolarHBondContact O-N 3.3Å
466	T	97	Very high	96.3	Very high	107 Å²	107	63.5 Å²	63.5	66%	0.656	33%	0.33	S	S	*	.	S	Bend	trans	-117.4	112	-169.3	-57	0	0	0	0	111.2
467	P	97.6	Very high	96.2	Very high	36 Å²	36	65.7 Å²	65.7	23%	0.234	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-71.4	152.9	174.8	30.2	-34.1	0	0	0	111.2	L454 I455 F456	L454-P467 HydrophobicContact CB-CB 4.31Å; L454-P467 HydrophobicContact CD2-CB 4.26Å; L454-P467 HydrophobicContact CD2-CG 4.25Å; I455-P467 CarbonylContact O-C 3.57Å; I455-P467 VanDerWaalsContact O-CA 3.31Å; I455-P467 WeakPolarHBondContact O-CA 3.43Å; F456-P467 HydrophobicContact CD1-CB 4.31Å; F456-P467 HydrophobicContact CE1-CB 3.95Å; F456-P467 HydrophobicContact CE1-CG 4.35Å; F456-P467 HydrophobicContact CE2-CB 4.45Å; F456-P467 HydrophobicContact CZ-CB 4.03Å; F456-P467 HydrophobicContact CZ-CG 4.46Å
468	L	97.9	Very high	96.2	Very high	15 Å²	15	66 Å²	66	8%	0.079	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-57.9	143	171	-65.4	-176.3	0	0	0	110.8	I455 D457 F470 E474 Y475	I455-L468 HydrophobicContact CB-CD1 4.39Å; I455-L468 HydrophobicContact CG2-CD1 3.87Å; I455-L468 HydrophobicContact CG2-CG 4.46Å; I455-L468 WeakPolarHBondContact O-CG 3.43Å; I455-L468 PolarHBondContact O-N 2.92Å; D457-L468 HydrophobicContact CB-CD2 4.34Å; L468-F470 PolarHBondContact O-N 3.19Å; L468-E474 HydrophobicContact CD1-CG 4.02Å; L468-Y475 HydrophobicContact CB-CD2 4.08Å
469	Q	97.3	Very high	96.3	Very high	145 Å²	145	66.8 Å²	66.8	68%	0.678	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-74.4	126.3	178.6	-65.6	-179.4	3	0	0	111.1	A471 T472 Y475	Q469-A471 PolarHBondContact O-N 3.44Å; Q469-A471 VanDerWaalsContact O-N 3.07Å; Q469-T472 HydrophobicContact CB-CG2 3.92Å; Q469-T472 WeakPolarHBondContact O-CB 3.34Å; Q469-T472 PolarHBondContact O-N 2.99Å; Q469-T472 PolarHBondContact O-OG1 3.28Å; Q469-Y475 WeakPolarHBondContact O-CB 3.37Å
470	F	96.8	Very high	96.5	Very high	101 Å²	101	67.7 Å²	67.7	44%	0.443	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-33.2	-178.5	-60.4	-49.8	0	0	0	114.7	P452 L454 L468 T472 Y475	P452-F470 HydrophobicContact CG-CD1 4.08Å; P452-F470 HydrophobicContact CG-CE1 4.05Å; L454-F470 HydrophobicContact CD2-CZ 4.04Å; L468-F470 PolarHBondContact O-N 3.19Å; F470-T472 PolarHBondContact O-N 2.83Å; F470-Y475 HydrophobicContact CB-CD1 4.5Å; F470-Y475 HydrophobicContact CD1-CD1 4.18Å; F470-Y475 AromaticContact CD1-CD2 3.96Å; F470-Y475 HydrophobicContact CD1-CD2 3.96Å; F470-Y475 AromaticContact CD1-CE1 3.68Å; F470-Y475 HydrophobicContact CD1-CE1 3.68Å; F470-Y475 AromaticContact CD1-CE2 3.41Å; F470-Y475 HydrophobicContact CD1-CE2 3.41Å; F470-Y475 VanDerWaalsContact CD1-CE2 3.41Å; F470-Y475 HydrophobicContact CD1-CG 4.33Å; F470-Y475 AromaticContact CD1-CZ 3.29Å; F470-Y475 HydrophobicContact CE1-CE1 4.41Å; F470-Y475 AromaticContact CE1-CE2 3.64Å; F470-Y475 HydrophobicContact CE1-CE2 3.64Å; F470-Y475 AromaticContact CE1-CZ 3.61Å; F470-Y475 WeakPolarHBondContact CE1-OH 3.46Å
471	A	96.1	Very high	96.7	Very high	75 Å²	75	64.1 Å²	64.1	62%	0.62	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-16.3	-177.4	0	0	0	0	0	113.7	Q469 R476	Q469-A471 PolarHBondContact O-N 3.44Å; Q469-A471 VanDerWaalsContact O-N 3.07Å; A471-R476 PolarHBondContact O-NH2 2.62Å
472	T	97.6	Very high	97	Very high	46 Å²	46	61.4 Å²	61.4	28%	0.282	33%	0.331	S	S	.	.	S	Bend	trans	-76.2	151.4	-173.2	63.3	0	0	0	0	112.8	Q469 F470 E474 Y475 R476	Q469-T472 HydrophobicContact CB-CG2 3.92Å; Q469-T472 WeakPolarHBondContact O-CB 3.34Å; Q469-T472 PolarHBondContact O-N 2.99Å; Q469-T472 PolarHBondContact O-OG1 3.28Å; F470-T472 PolarHBondContact O-N 2.83Å; T472-E474 VanDerWaalsContact C-N 3.28Å; T472-E474 PolarHBondContact O-N 3.23Å; T472-Y475 PolarHBondContact O-N 3.27Å; T472-Y475 VanDerWaalsContact OG1-CB 3.31Å; T472-Y475 WeakPolarHBondContact OG1-CB 3.36Å; T472-Y475 PolarHBondContact OG1-N 2.88Å; T472-R476 WeakPolarHBondContact O-CG 3.33Å; T472-R476 PolarHBondContact O-N 3.28Å
473	A	97.3	Very high	97.1	Very high	80 Å²	80	59.8 Å²	59.8	66%	0.661	33%	0.328	S	S	*	.	H	α-helix	trans	-65.1	-34.4	173.9	0	0	0	0	0	112.1	R476 A477	A473-R476 PolarHBondContact O-N 3.08Å; A473-A477 WeakPolarHBondContact O-CB 3.15Å; A473-A477 PolarHBondContact O-N 3.11Å; A473-A477 VanDerWaalsContact O-N 3.09Å
474	E	96.3	Very high	97.1	Very high	58 Å²	58	65.8 Å²	65.8	27%	0.271	35%	0.349	S	S	.	.	H	α-helix	trans	-57.6	-52.4	173.8	-178.6	-179.4	-164.3	0	0	111	H428 R460 L468 T472 R476 A477 I478	H428-E474 IonicContact CE1-OE1 3.86Å; H428-E474 IonicContact NE2-OE1 3.52Å; H428-E474 PolarHBondContact NE2-OE1 3.44Å; H428-E474 VanDerWaalsContact NE2-OE1 3.11Å; R460-E474 IonicContact CZ-OE1 2.93Å; R460-E474 IonicContact CZ-OE2 3.11Å; R460-E474 IonicContact NH1-OE2 3.78Å; R460-E474 IonicContact NH2-OE1 3.75Å; R460-E474 PolarHBondContact NH2-OE1 2.63Å; R460-E474 IonicContact NH2-OE2 3.51Å; R460-E474 PolarHBondContact NH2-OE2 3.4Å; L468-E474 HydrophobicContact CD1-CG 4.02Å; T472-E474 VanDerWaalsContact C-N 3.28Å; T472-E474 PolarHBondContact O-N 3.23Å; E474-R476 PolarHBondContact O-N 3.13Å; E474-A477 PolarHBondContact O-N 3.31Å; E474-I478 WeakPolarHBondContact O-CG1 3.31Å; E474-I478 PolarHBondContact O-N 3.04Å; E474-I478 VanDerWaalsContact O-N 3.1Å
475	Y	98.3	Very high	97	Very high	9 Å²	9	68.3 Å²	68.3	4%	0.035	36%	0.36	C	S	.	.	H	α-helix	trans	-55.6	-50.3	178.9	178.1	-86.6	0	0	0	111.7	P452 P453 I455 L468 Q469 F470 T472 A477 I478 A479	P452-Y475 HydrophobicContact CB-CE1 4.42Å; P452-Y475 VanDerWaalsContact CB-OH 3.23Å; P452-Y475 WeakPolarHBondContact CB-OH 3.29Å; P452-Y475 HydrophobicContact CG-CE1 4.43Å; P453-Y475 WeakPolarHBondContact O-CE2 3.44Å; P453-Y475 PolarHBondContact O-OH 3.19Å; I455-Y475 HydrophobicContact CB-CD2 4.17Å; I455-Y475 HydrophobicContact CB-CE2 4Å; I455-Y475 HydrophobicContact CD1-CD2 3.85Å; I455-Y475 HydrophobicContact CD1-CE2 3.5Å; I455-Y475 VanDerWaalsContact CD1-CE2 3.5Å; I455-Y475 HydrophobicContact CG1-CD2 4.16Å; I455-Y475 HydrophobicContact CG1-CE2 3.61Å; L468-Y475 HydrophobicContact CB-CD2 4.08Å; Q469-Y475 WeakPolarHBondContact O-CB 3.37Å; F470-Y475 HydrophobicContact CB-CD1 4.5Å; F470-Y475 HydrophobicContact CD1-CD1 4.18Å; F470-Y475 AromaticContact CD1-CD2 3.96Å; F470-Y475 HydrophobicContact CD1-CD2 3.96Å; F470-Y475 AromaticContact CD1-CE1 3.68Å; F470-Y475 HydrophobicContact CD1-CE1 3.68Å; F470-Y475 AromaticContact CD1-CE2 3.41Å; F470-Y475 HydrophobicContact CD1-CE2 3.41Å; F470-Y475 VanDerWaalsContact CD1-CE2 3.41Å; F470-Y475 HydrophobicContact CD1-CG 4.33Å; F470-Y475 AromaticContact CD1-CZ 3.29Å; F470-Y475 HydrophobicContact CE1-CE1 4.41Å; F470-Y475 AromaticContact CE1-CE2 3.64Å; F470-Y475 HydrophobicContact CE1-CE2 3.64Å; F470-Y475 AromaticContact CE1-CZ 3.61Å; F470-Y475 WeakPolarHBondContact CE1-OH 3.46Å; T472-Y475 PolarHBondContact O-N 3.27Å; T472-Y475 VanDerWaalsContact OG1-CB 3.31Å; T472-Y475 WeakPolarHBondContact OG1-CB 3.36Å; T472-Y475 PolarHBondContact OG1-N 2.88Å; Y475-A477 PolarHBondContact O-N 3.44Å; Y475-I478 PolarHBondContact O-N 2.9Å; Y475-A479 HydrophobicContact CD1-CB 4.27Å; Y475-A479 HydrophobicContact CE1-CB 3.79Å; Y475-A479 VanDerWaalsContact O-CB 3.26Å; Y475-A479 WeakPolarHBondContact O-CB 3.27Å; Y475-A479 PolarHBondContact O-N 3.45Å
476	R	97.8	Very high	96.9	Very high	146 Å²	146	67.5 Å²	67.5	55%	0.551	35%	0.353	S	S	*	.	H	α-helix	trans	-59.9	-46.1	-176.9	-64.3	179.4	-147.5	172.6	5.4	111.9	A471 T472 A473 E474 I478 A479 E480	A471-R476 PolarHBondContact O-NH2 2.62Å; T472-R476 WeakPolarHBondContact O-CG 3.33Å; T472-R476 PolarHBondContact O-N 3.28Å; A473-R476 PolarHBondContact O-N 3.08Å; E474-R476 PolarHBondContact O-N 3.13Å; R476-I478 VanDerWaalsContact C-N 3.34Å; R476-I478 PolarHBondContact O-N 3.15Å; R476-A479 PolarHBondContact O-N 2.96Å; R476-E480 WeakPolarHBondContact O-CG 3.42Å; R476-E480 PolarHBondContact O-N 2.84Å
477	A	97.1	Very high	96.9	Very high	49 Å²	49	68.6 Å²	68.6	41%	0.405	35%	0.351	S	S	.	.	H	α-helix	trans	-62.6	-40.1	179.6	0	0	0	0	0	112.5	A473 E474 Y475 R481	A473-A477 WeakPolarHBondContact O-CB 3.15Å; A473-A477 PolarHBondContact O-N 3.11Å; A473-A477 VanDerWaalsContact O-N 3.09Å; E474-A477 PolarHBondContact O-N 3.31Å; Y475-A477 PolarHBondContact O-N 3.44Å; A477-R481 WeakPolarHBondContact O-CG 3.38Å; A477-R481 PolarHBondContact O-N 2.99Å
478	I	97.7	Very high	96.8	Very high	14 Å²	14	71.2 Å²	71.2	7%	0.072	36%	0.359	C	S	.	.	H	α-helix	trans	-74.6	-42.6	178.4	-59.5	-57.4	0	0	0	111.2	H428 I455 E474 Y475 R476 E480 R481 V482	H428-I478 HydrophobicContact CB-CG2 3.69Å; H428-I478 WeakPolarHBondContact ND1-CD1 3.43Å; I455-I478 HydrophobicContact CD1-CB 4.36Å; I455-I478 HydrophobicContact CD1-CG2 4.09Å; I455-I478 HydrophobicContact CG2-CG2 3.99Å; E474-I478 WeakPolarHBondContact O-CG1 3.31Å; E474-I478 PolarHBondContact O-N 3.04Å; E474-I478 VanDerWaalsContact O-N 3.1Å; Y475-I478 PolarHBondContact O-N 2.9Å; R476-I478 VanDerWaalsContact C-N 3.34Å; R476-I478 PolarHBondContact O-N 3.15Å; I478-E480 VanDerWaalsContact C-N 3.3Å; I478-E480 PolarHBondContact O-N 2.94Å; I478-R481 PolarHBondContact O-N 3.06Å; I478-R481 VanDerWaalsContact O-N 3.13Å; I478-V482 HydrophobicContact CG2-CG2 4.02Å; I478-V482 WeakPolarHBondContact O-CB 3.22Å; I478-V482 VanDerWaalsContact O-CG2 3.27Å; I478-V482 WeakPolarHBondContact O-CG2 3.2Å; I478-V482 PolarHBondContact O-N 2.8Å
479	A	97.6	Very high	96.7	Very high	17 Å²	17	71.4 Å²	71.4	14%	0.14	36%	0.36	C	S	.	.	H	α-helix	trans	-57.8	-42.3	177.8	0	0	0	0	0	111.8	I455 Y475 R476 V482 A483	I455-A479 HydrophobicContact CD1-CB 3.85Å; Y475-A479 HydrophobicContact CD1-CB 4.27Å; Y475-A479 HydrophobicContact CE1-CB 3.79Å; Y475-A479 VanDerWaalsContact O-CB 3.26Å; Y475-A479 WeakPolarHBondContact O-CB 3.27Å; Y475-A479 PolarHBondContact O-N 3.45Å; R476-A479 PolarHBondContact O-N 2.96Å; A479-V482 PolarHBondContact O-N 3.07Å; A479-A483 VanDerWaalsContact O-CB 3.31Å; A479-A483 WeakPolarHBondContact O-CB 3.31Å; A479-A483 PolarHBondContact O-N 2.76Å
480	E	96.7	Very high	96.6	Very high	143 Å²	143	67.4 Å²	67.4	67%	0.668	34%	0.344	S	S	*	.	H	α-helix	trans	-62.4	-44.9	174.5	-74.2	172.7	-171.7	0	0	112.2	R476 I478 R484	R476-E480 WeakPolarHBondContact O-CG 3.42Å; R476-E480 PolarHBondContact O-N 2.84Å; I478-E480 VanDerWaalsContact C-N 3.3Å; I478-E480 PolarHBondContact O-N 2.94Å; E480-R484 WeakPolarHBondContact O-CB 3.37Å; E480-R484 PolarHBondContact O-N 3.01Å
481	R	97.2	Very high	96.7	Very high	84 Å²	84	71.6 Å²	71.6	32%	0.317	36%	0.357	S	S	.	.	H	α-helix	trans	-63.1	-44.6	177.2	-73.8	179.3	70.6	-154.4	2.2	112	E404 A477 I478 K485	E404-R481 IonicContact OE1-NH2 3.27Å; E404-R481 PolarHBondContact OE1-NH2 3.33Å; A477-R481 WeakPolarHBondContact O-CG 3.38Å; A477-R481 PolarHBondContact O-N 2.99Å; I478-R481 PolarHBondContact O-N 3.06Å; I478-R481 VanDerWaalsContact O-N 3.13Å; R481-K485 PolarHBondContact O-N 2.89Å
482	V	97	Very high	96.7	Very high	0 Å²	0	70.4 Å²	70.4	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-60	-52.3	177.3	165.7	0	0	0	0	110.3	V423 V425 A430 Y432 I478 A479 R484 K485 R486	V423-V482 HydrophobicContact CB-CG1 3.99Å; V423-V482 HydrophobicContact CG1-CG1 4.34Å; V423-V482 HydrophobicContact CG2-CG1 4.27Å; V425-V482 HydrophobicContact CG2-CB 4.49Å; V425-V482 HydrophobicContact CG2-CG2 3.47Å; V425-V482 VanDerWaalsContact CG2-CG2 3.47Å; A430-V482 HydrophobicContact CB-CB 4.34Å; A430-V482 HydrophobicContact CB-CG1 3.64Å; A430-V482 HydrophobicContact CB-CG2 3.85Å; Y432-V482 HydrophobicContact CE2-CG1 4.17Å; Y432-V482 WeakPolarHBondContact OH-CG1 3.29Å; I478-V482 HydrophobicContact CG2-CG2 4.02Å; I478-V482 WeakPolarHBondContact O-CB 3.22Å; I478-V482 VanDerWaalsContact O-CG2 3.27Å; I478-V482 WeakPolarHBondContact O-CG2 3.2Å; I478-V482 PolarHBondContact O-N 2.8Å; A479-V482 PolarHBondContact O-N 3.07Å; V482-R484 PolarHBondContact O-N 2.84Å; V482-K485 PolarHBondContact O-N 3.49Å; V482-R486 VanDerWaalsContact O-CB 3.29Å; V482-R486 WeakPolarHBondContact O-CB 3.46Å; V482-R486 PolarHBondContact O-N 2.92Å
483	A	95.8	Very high	96.6	Very high	36 Å²	36	69 Å²	69	30%	0.298	33%	0.33	S	S	.	.	H	α-helix	trans	-58.5	-48.6	-178.3	0	0	0	0	0	111	A479 K485 R486 E487	A479-A483 VanDerWaalsContact O-CB 3.31Å; A479-A483 WeakPolarHBondContact O-CB 3.31Å; A479-A483 PolarHBondContact O-N 2.76Å; A483-K485 PolarHBondContact O-N 2.69Å; A483-R486 PolarHBondContact O-N 3.18Å; A483-E487 WeakPolarHBondContact O-CG 3.44Å; A483-E487 PolarHBondContact O-N 3.16Å
484	R	96.1	Very high	96.6	Very high	134 Å²	134	69 Å²	69	51%	0.506	33%	0.331	S	S	.	.	H	α-helix	trans	-58.5	-48.3	178.1	-177.6	179.7	61.3	-156.3	-2.7	112.3	E480 V482 E487 E488	E480-R484 WeakPolarHBondContact O-CB 3.37Å; E480-R484 PolarHBondContact O-N 3.01Å; V482-R484 PolarHBondContact O-N 2.84Å; R484-E487 PolarHBondContact O-N 2.86Å; R484-E488 WeakPolarHBondContact CG-OE1 3.23Å; R484-E488 IonicContact NE-OE1 3.55Å; R484-E488 WeakPolarHBondContact O-CG 3.48Å; R484-E488 PolarHBondContact O-N 3.44Å
485	K	95.8	Very high	96.6	Very high	53 Å²	53	69 Å²	69	23%	0.23	33%	0.334	C	S	.	.	H	α-helix	trans	-69.5	-34.5	-179.5	-79	-41.3	-164	170.3	0	113.9	F405 F407 R481 V482 A483 E487 E488 L489	F405-K485 HydrophobicContact CD1-CB 3.65Å; F405-K485 HydrophobicContact CD1-CG 3.48Å; F405-K485 VanDerWaalsContact CD1-CG 3.48Å; F405-K485 HydrophobicContact CD2-CD 4.26Å; F405-K485 HydrophobicContact CD2-CG 3.77Å; F405-K485 HydrophobicContact CE1-CB 3.64Å; F405-K485 HydrophobicContact CE1-CD 4.43Å; F405-K485 HydrophobicContact CE1-CG 3.14Å; F405-K485 HydrophobicContact CE2-CD 3.96Å; F405-K485 HydrophobicContact CE2-CG 3.44Å; F405-K485 VanDerWaalsContact CE2-CG 3.44Å; F405-K485 HydrophobicContact CG-CB 4.2Å; F405-K485 HydrophobicContact CG-CG 3.82Å; F405-K485 HydrophobicContact CZ-CB 4.18Å; F405-K485 HydrophobicContact CZ-CD 4.1Å; F405-K485 HydrophobicContact CZ-CG 3.17Å; F407-K485 HydrophobicContact CE1-CB 4.49Å; F407-K485 HydrophobicContact CZ-CB 4.15Å; R481-K485 PolarHBondContact O-N 2.89Å; V482-K485 PolarHBondContact O-N 3.49Å; A483-K485 PolarHBondContact O-N 2.69Å; K485-E487 VanDerWaalsContact C-N 3.34Å; K485-E488 WeakPolarHBondContact CD-OE2 3.09Å; K485-E488 WeakPolarHBondContact CE-OE2 3.23Å; K485-E488 IonicContact NZ-OE1 2.67Å; K485-E488 IonicContact NZ-OE2 3.51Å; K485-E488 PolarHBondContact NZ-OE2 3.27Å; K485-E488 PolarHBondContact O-N 3.12Å; K485-L489 PolarHBondContact O-N 3.28Å
486	R	95.1	Very high	96.5	Very high	69 Å²	69	69.2 Å²	69.2	26%	0.26	34%	0.336	S	S	.	.	H	α-helix	trans	-59.3	-47.1	171.4	175.9	163.8	-176.9	-87.7	3.8	110.9	L420 V423 V482 A483 L489 L490	L420-R486 HydrophobicContact CD2-CB 4.34Å; L420-R486 HydrophobicContact CD2-CG 3.7Å; L420-R486 HydrophobicContact CG-CG 4.43Å; L420-R486 PolarHBondContact O-NE 3.05Å; L420-R486 PolarHBondContact O-NH2 2.7Å; V423-R486 HydrophobicContact CG2-CB 4.25Å; V482-R486 VanDerWaalsContact O-CB 3.29Å; V482-R486 WeakPolarHBondContact O-CB 3.46Å; V482-R486 PolarHBondContact O-N 2.92Å; A483-R486 PolarHBondContact O-N 3.18Å; R486-L489 PolarHBondContact O-N 3.02Å; R486-L490 HydrophobicContact CG-CD1 3.95Å; R486-L490 WeakPolarHBondContact O-CB 3.42Å; R486-L490 VanDerWaalsContact O-CG 3.26Å; R486-L490 WeakPolarHBondContact O-CG 3.37Å; R486-L490 PolarHBondContact O-N 2.93Å
487	E	95.4	Very high	96.4	Very high	131 Å²	131	66.4 Å²	66.4	61%	0.612	35%	0.353	S	S	*	.	H	α-helix	trans	-64	-44.3	176.6	-72.8	175.5	-177.2	0	0	112.4	A483 R484 K485 L489 L490 W491	A483-E487 WeakPolarHBondContact O-CG 3.44Å; A483-E487 PolarHBondContact O-N 3.16Å; R484-E487 PolarHBondContact O-N 2.86Å; K485-E487 VanDerWaalsContact C-N 3.34Å; E487-L489 PolarHBondContact O-N 3.01Å; E487-L490 PolarHBondContact O-N 2.83Å; E487-W491 VanDerWaalsContact O-CB 3.31Å; E487-W491 WeakPolarHBondContact O-CB 3.33Å; E487-W491 PolarHBondContact O-N 3.34Å
488	E	96.5	Very high	96.4	Very high	90 Å²	90	65.1 Å²	65.1	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-56.5	-47.1	175.8	-76	173.8	-156.1	0	0	111.6	R484 K485 D492	R484-E488 WeakPolarHBondContact CG-OE1 3.23Å; R484-E488 IonicContact NE-OE1 3.55Å; R484-E488 WeakPolarHBondContact O-CG 3.48Å; R484-E488 PolarHBondContact O-N 3.44Å; K485-E488 WeakPolarHBondContact CD-OE2 3.09Å; K485-E488 WeakPolarHBondContact CE-OE2 3.23Å; K485-E488 IonicContact NZ-OE1 2.67Å; K485-E488 IonicContact NZ-OE2 3.51Å; K485-E488 PolarHBondContact NZ-OE2 3.27Å; K485-E488 PolarHBondContact O-N 3.12Å; E488-D492 WeakPolarHBondContact O-CB 3.47Å; E488-D492 PolarHBondContact O-N 3.08Å
489	L	96	Very high	96.4	Very high	19 Å²	19	67.1 Å²	67.1	10%	0.099	35%	0.353	C	S	.	.	H	α-helix	trans	-66.2	-45.8	178	-175.7	78.4	0	0	0	111.8	F407 L420 K485 R486 E487 W491 D492 I493	F407-L489 HydrophobicContact CB-CD2 3.8Å; F407-L489 HydrophobicContact CD1-CD2 3.71Å; F407-L489 HydrophobicContact CD2-CD1 4.29Å; F407-L489 HydrophobicContact CD2-CD2 3.52Å; F407-L489 HydrophobicContact CD2-CG 4.34Å; F407-L489 HydrophobicContact CE1-CB 4.14Å; F407-L489 HydrophobicContact CE1-CD2 4.06Å; F407-L489 HydrophobicContact CE2-CB 4.13Å; F407-L489 HydrophobicContact CE2-CD1 4.17Å; F407-L489 HydrophobicContact CE2-CD2 3.88Å; F407-L489 HydrophobicContact CE2-CG 4.27Å; F407-L489 HydrophobicContact CG-CD2 3.4Å; F407-L489 VanDerWaalsContact CG-CD2 3.4Å; F407-L489 HydrophobicContact CZ-CB 3.86Å; F407-L489 HydrophobicContact CZ-CD2 4.13Å; F407-L489 HydrophobicContact CZ-CG 4.45Å; L420-L489 HydrophobicContact CD2-CD2 4.13Å; K485-L489 PolarHBondContact O-N 3.28Å; R486-L489 PolarHBondContact O-N 3.02Å; E487-L489 PolarHBondContact O-N 3.01Å; L489-W491 VanDerWaalsContact C-N 3.27Å; L489-W491 PolarHBondContact O-N 2.83Å; L489-D492 WeakPolarHBondContact O-CB 3.3Å; L489-D492 PolarHBondContact O-N 3.21Å; L489-D492 VanDerWaalsContact O-N 3.16Å; L489-I493 HydrophobicContact CD1-CD1 4.36Å; L489-I493 HydrophobicContact CD2-CD1 4.05Å; L489-I493 HydrophobicContact CG-CD1 3.81Å; L489-I493 HydrophobicContact CG-CG1 4.35Å; L489-I493 WeakPolarHBondContact O-CG1 3.47Å; L489-I493 PolarHBondContact O-N 3.08Å
490	L	95.6	Very high	96.4	Very high	62 Å²	62	66.6 Å²	66.6	33%	0.325	35%	0.349	S	S	.	.	H	α-helix	trans	-61.8	-39.1	-179.8	-72.6	171.5	0	0	0	111.3	L420 R486 E487 A494	L420-L490 HydrophobicContact CB-CD2 4.49Å; R486-L490 HydrophobicContact CG-CD1 3.95Å; R486-L490 WeakPolarHBondContact O-CB 3.42Å; R486-L490 VanDerWaalsContact O-CG 3.26Å; R486-L490 WeakPolarHBondContact O-CG 3.37Å; R486-L490 PolarHBondContact O-N 2.93Å; E487-L490 PolarHBondContact O-N 2.83Å; L490-A494 VanDerWaalsContact O-CB 3.24Å; L490-A494 WeakPolarHBondContact O-CB 3.18Å; L490-A494 PolarHBondContact O-N 3.35Å
491	W	97.2	Very high	96.4	Very high	189 Å²	189	65.7 Å²	65.7	72%	0.716	35%	0.353	S	S	*	.	H	α-helix	trans	-66.6	-42.1	173.3	-176	-100.3	0	0	0	112.2	E487 L489 I493 A494 T495	E487-W491 VanDerWaalsContact O-CB 3.31Å; E487-W491 WeakPolarHBondContact O-CB 3.33Å; E487-W491 PolarHBondContact O-N 3.34Å; L489-W491 VanDerWaalsContact C-N 3.27Å; L489-W491 PolarHBondContact O-N 2.83Å; W491-I493 PolarHBondContact O-N 3.12Å; W491-A494 PolarHBondContact O-N 3.19Å; W491-T495 HydrophobicContact CD2-CG2 4.18Å; W491-T495 HydrophobicContact CZ2-CG2 3.96Å; W491-T495 WeakPolarHBondContact O-CB 3.4Å; W491-T495 WeakPolarHBondContact O-CG2 3.34Å; W491-T495 PolarHBondContact O-N 2.95Å; W491-T495 PolarHBondContact O-OG1 3.03Å
492	D	97.1	Very high	96.4	Very high	49 Å²	49	62.2 Å²	62.2	26%	0.262	34%	0.342	S	S	.	.	H	α-helix	trans	-59.9	-45.7	175.2	-178.5	75.9	0	0	0	111.4	R97 R385 E488 L489 T495 D496	R97-D492 IonicContact CZ-OD2 3.93Å; R97-D492 IonicContact NH1-OD2 3.31Å; R97-D492 PolarHBondContact NH1-OD2 3.1Å; R97-D492 IonicContact NH2-OD2 4Å; R97-D492 PolarHBondContact NH2-OD2 3.46Å; R385-D492 VanDerWaalsContact CD-OD1 3.29Å; R385-D492 WeakPolarHBondContact CD-OD1 3.32Å; R385-D492 IonicContact CZ-OD1 3.31Å; R385-D492 IonicContact NE-OD1 2.79Å; R385-D492 PolarHBondContact NH1-O 3.36Å; R385-D492 IonicContact NH1-OD1 3.5Å; R385-D492 PolarHBondContact NH1-OD1 2.76Å; R385-D492 IonicContact NH1-OD2 2.96Å; E488-D492 WeakPolarHBondContact O-CB 3.47Å; E488-D492 PolarHBondContact O-N 3.08Å; L489-D492 WeakPolarHBondContact O-CB 3.3Å; L489-D492 PolarHBondContact O-N 3.21Å; L489-D492 VanDerWaalsContact O-N 3.16Å; D492-T495 PolarHBondContact O-N 3.44Å; D492-T495 PolarHBondContact O-OG1 3.21Å; D492-D496 WeakPolarHBondContact O-CB 3.47Å; D492-D496 PolarHBondContact O-N 3.3Å; D492-D496 VanDerWaalsContact O-N 3.09Å
493	I	96.1	Very high	96.4	Very high	17 Å²	17	65.3 Å²	65.3	9%	0.087	36%	0.359	C	S	.	.	H	α-helix	trans	-63.3	-47.5	175.1	-67.1	167.3	0	0	0	110.8	L96 R97 L489 W491 T495 D496 V499	L96-I493 HydrophobicContact CB-CD1 3.87Å; L96-I493 HydrophobicContact CB-CG2 4.27Å; L96-I493 HydrophobicContact CD1-CD1 4.29Å; L96-I493 HydrophobicContact CD2-CD1 4.07Å; L96-I493 HydrophobicContact CG-CD1 4.32Å; R97-I493 HydrophobicContact CG-CG1 4.05Å; R97-I493 VanDerWaalsContact CZ-CG1 3.48Å; L489-I493 HydrophobicContact CD1-CD1 4.36Å; L489-I493 HydrophobicContact CD2-CD1 4.05Å; L489-I493 HydrophobicContact CG-CD1 3.81Å; L489-I493 HydrophobicContact CG-CG1 4.35Å; L489-I493 WeakPolarHBondContact O-CG1 3.47Å; L489-I493 PolarHBondContact O-N 3.08Å; W491-I493 PolarHBondContact O-N 3.12Å; I493-T495 PolarHBondContact O-N 2.96Å; I493-T495 VanDerWaalsContact O-N 3.16Å; I493-D496 PolarHBondContact O-N 2.89Å; I493-D496 VanDerWaalsContact O-N 3.1Å; I493-V499 HydrophobicContact CG2-CG2 4.25Å; I493-V499 WeakPolarHBondContact O-CG2 3.37Å
494	A	95.6	Very high	96.4	Very high	81 Å²	81	65.8 Å²	65.8	67%	0.669	35%	0.353	S	S	*	.	H	α-helix	trans	-63.2	-23.4	-177.8	0	0	0	0	0	113.5	L490 W491	L490-A494 VanDerWaalsContact O-CB 3.24Å; L490-A494 WeakPolarHBondContact O-CB 3.18Å; L490-A494 PolarHBondContact O-N 3.35Å; W491-A494 PolarHBondContact O-N 3.19Å
495	T	96.8	Very high	96.4	Very high	57 Å²	57	64.4 Å²	64.4	35%	0.35	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.3	1.9	178.8	59.8	0	0	0	0	113.4	R385 W491 D492 I493 G497	R385-T495 PolarHBondContact NH1-OG1 3.42Å; R385-T495 VanDerWaalsContact NH1-OG1 3.12Å; R385-T495 PolarHBondContact NH2-O 3.44Å; W491-T495 HydrophobicContact CD2-CG2 4.18Å; W491-T495 HydrophobicContact CZ2-CG2 3.96Å; W491-T495 WeakPolarHBondContact O-CB 3.4Å; W491-T495 WeakPolarHBondContact O-CG2 3.34Å; W491-T495 PolarHBondContact O-N 2.95Å; W491-T495 PolarHBondContact O-OG1 3.03Å; D492-T495 PolarHBondContact O-N 3.44Å; D492-T495 PolarHBondContact O-OG1 3.21Å; I493-T495 PolarHBondContact O-N 2.96Å; I493-T495 VanDerWaalsContact O-N 3.16Å; T495-G497 PolarHBondContact O-N 3.36Å
496	D	96.7	Very high	96.2	Very high	13 Å²	13	66.9 Å²	66.9	7%	0.07	37%	0.368	C	S	.	.			trans	-81.3	104.9	175	-179.1	8.7	0	0	0	109.6	R93 R97 D492 I493 S498 V499	R93-D496 IonicContact CZ-OD2 3.57Å; R93-D496 IonicContact NH1-OD2 2.68Å; R93-D496 PolarHBondContact NH1-OD2 3.01Å; R93-D496 IonicContact NH2-OD2 3.97Å; R93-D496 PolarHBondContact NH2-OD2 3.09Å; R97-D496 IonicContact NH1-OD2 3.92Å; R97-D496 PolarHBondContact NH1-OD2 3.44Å; D492-D496 WeakPolarHBondContact O-CB 3.47Å; D492-D496 PolarHBondContact O-N 3.3Å; D492-D496 VanDerWaalsContact O-N 3.09Å; I493-D496 PolarHBondContact O-N 2.89Å; I493-D496 VanDerWaalsContact O-N 3.1Å; D496-S498 PolarHBondContact O-N 3.44Å; D496-S498 VanDerWaalsContact O-N 3.11Å; D496-S498 PolarHBondContact OD1-N 3.31Å; D496-S498 PolarHBondContact OD1-OG 2.68Å; D496-S498 PolarHBondContact OD2-OG 3.41Å; D496-V499 HydrophobicContact CB-CG2 3.83Å; D496-V499 VanDerWaalsContact O-CG2 3.31Å; D496-V499 WeakPolarHBondContact O-CG2 3.4Å; D496-V499 PolarHBondContact O-N 3.39Å
497	G	96.1	Very high	96	Very high	87 Å²	87	67.2 Å²	67.2	90%	0.897	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-7.1	179.6	0	0	0	0	0	114.4	T495	T495-G497 PolarHBondContact O-N 3.36Å
498	S	96.9	Very high	95.5	Very high	22 Å²	22	65 Å²	65	15%	0.154	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.8	9.3	177.4	87.2	0	0	0	0	113.3	R93 R384 D496 S500	R93-S498 PolarHBondContact NH1-OG 3.04Å; R93-S498 PolarHBondContact NH2-O 3.13Å; R93-S498 PolarHBondContact NH2-OG 3.36Å; R384-S498 WeakPolarHBondContact CA-OG 3.31Å; R384-S498 WeakPolarHBondContact CB-OG 3.24Å; D496-S498 PolarHBondContact O-N 3.44Å; D496-S498 VanDerWaalsContact O-N 3.11Å; D496-S498 PolarHBondContact OD1-N 3.31Å; D496-S498 PolarHBondContact OD1-OG 2.68Å; D496-S498 PolarHBondContact OD2-OG 3.41Å; S498-S500 PolarHBondContact O-N 2.61Å
499	V	97.4	Very high	95	Very high	56 Å²	56	65.9 Å²	65.9	34%	0.339	37%	0.372	S	S	.	.			trans	-61.7	127.9	175.7	171.3	0	0	0	0	110	R97 I493 D496	R97-V499 WeakPolarHBondContact O-CA 3.43Å; I493-V499 HydrophobicContact CG2-CG2 4.25Å; I493-V499 WeakPolarHBondContact O-CG2 3.37Å; D496-V499 HydrophobicContact CB-CG2 3.83Å; D496-V499 VanDerWaalsContact O-CG2 3.31Å; D496-V499 WeakPolarHBondContact O-CG2 3.4Å; D496-V499 PolarHBondContact O-N 3.39Å
500	S	97.3	Very high	94.8	Very high	7 Å²	7	65.5 Å²	65.5	5%	0.049	37%	0.371	C	S	.	.			trans	-96.8	159.2	178.3	-62.6	0	0	0	0	110.9	R97 N98 G99 S115 E116 S498	R97-S500 PolarHBondContact O-N 3.42Å; N98-S500 WeakPolarHBondContact O-CB 3.33Å; G99-S500 WeakPolarHBondContact CA-O 3.37Å; G99-S500 PolarHBondContact N-O 2.82Å; S115-S500 PolarHBondContact OG-OG 2.86Å; E116-S500 VanDerWaalsContact OE1-CB 3.3Å; E116-S500 WeakPolarHBondContact OE1-CB 3.22Å; E116-S500 PolarHBondContact OE1-OG 3.26Å; S498-S500 PolarHBondContact O-N 2.61Å
501	T	96.6	Very high	94.6	Very high	124 Å²	124	62.6 Å²	62.6	76%	0.761	36%	0.357	S	S	*	.			trans	-128.1	124.9	172.2	-61.2	0	0	0	0	108.4	P113	P113-T501 WeakPolarHBondContact CG-O 3.46Å
502	A	97.2	Very high	94.3	Very high	10 Å²	10	54.5 Å²	54.5	8%	0.083	33%	0.328	C	S	.	.			trans	-76.3	139.9	174.1	0	0	0	0	0	111	G99 V100 F104 P113 Y504	G99-A502 WeakPolarHBondContact O-CB 3.44Å; G99-A502 PolarHBondContact O-N 3.1Å; V100-A502 HydrophobicContact CG2-CB 4.32Å; F104-A502 HydrophobicContact CE1-CB 4.23Å; F104-A502 HydrophobicContact CZ-CB 3.91Å; P113-A502 HydrophobicContact CG-CB 4.09Å; A502-Y504 HydrophobicContact CB-CD2 4.15Å; A502-Y504 HydrophobicContact CB-CE2 3.58Å
503	D	97.2	Very high	94	Very high	65 Å²	65	53.3 Å²	53.3	35%	0.348	32%	0.324	S	S	.	.			trans	-87.7	119.4	168.9	-178.6	4	0	0	0	108.9	A110 N505	A110-D503 HydrophobicContact CB-CB 3.76Å; A110-D503 WeakPolarHBondContact CB-O 3.42Å; D503-N505 WeakPolarHBondContact OD1-CB 3.46Å; D503-N505 PolarHBondContact OD1-N 2.73Å; D503-N505 PolarHBondContact OD1-ND2 3.38Å; D503-N505 PolarHBondContact OD2-ND2 3.31Å
504	Y	95.3	Very high	93.7	Very high	46 Å²	46	54.6 Å²	54.6	18%	0.18	33%	0.333	C	S	.	.			trans	-103.9	10.9	180	-72	-78	0	0	0	113	V100 T101 H102 F104 A502	V100-Y504 WeakPolarHBondContact CA-OH 3.24Å; T101-Y504 PolarHBondContact N-OH 2.9Å; H102-Y504 AromaticContact CD2-CD1 3.86Å; H102-Y504 AromaticContact CD2-CE1 3.68Å; H102-Y504 AromaticContact CE1-CD1 3.54Å; H102-Y504 AromaticContact CE1-CD2 3.27Å; H102-Y504 WeakPolarHBondContact CE1-CD2 3.35Å; H102-Y504 AromaticContact CE1-CE1 3.48Å; H102-Y504 VanDerWaalsContact CE1-CE1 3.48Å; H102-Y504 WeakPolarHBondContact CE1-CE1 3.41Å; H102-Y504 AromaticContact CE1-CE2 3.18Å; H102-Y504 WeakPolarHBondContact CE1-CE2 3.23Å; H102-Y504 AromaticContact CE1-CG 3.42Å; H102-Y504 VanDerWaalsContact CE1-CG 3.42Å; H102-Y504 AromaticContact CE1-CZ 3.27Å; H102-Y504 AromaticContact CG-CE1 3.93Å; H102-Y504 AromaticContact CG-CZ 3.91Å; H102-Y504 PolarHBondContact N-OH 2.9Å; H102-Y504 VanDerWaalsContact N-OH 3.14Å; H102-Y504 AromaticContact ND1-CE1 3.8Å; H102-Y504 AromaticContact ND1-CE2 3.6Å; H102-Y504 AromaticContact ND1-CZ 3.39Å; H102-Y504 AromaticContact NE2-CD1 3.21Å; H102-Y504 WeakPolarHBondContact NE2-CD1 3.48Å; H102-Y504 AromaticContact NE2-CD2 3.77Å; H102-Y504 AromaticContact NE2-CE1 3.41Å; H102-Y504 WeakPolarHBondContact NE2-CE1 3.44Å; H102-Y504 AromaticContact NE2-CE2 3.92Å; H102-Y504 AromaticContact NE2-CG 3.38Å; H102-Y504 AromaticContact NE2-CZ 3.74Å; H102-Y504 WeakPolarHBondContact O-CE1 3.39Å; H102-Y504 PolarHBondContact O-OH 3.14Å; F104-Y504 AromaticContact CD1-CD1 3.7Å; F104-Y504 HydrophobicContact CD1-CD1 3.7Å; F104-Y504 AromaticContact CD1-CE1 3.6Å; F104-Y504 HydrophobicContact CD1-CE1 3.6Å; F104-Y504 AromaticContact CE1-CD1 3.65Å; F104-Y504 HydrophobicContact CE1-CD1 3.65Å; F104-Y504 AromaticContact CE1-CE1 3.39Å; F104-Y504 HydrophobicContact CE1-CE1 3.39Å; F104-Y504 HydrophobicContact CE1-CG 4.45Å; F104-Y504 HydrophobicContact CG-CE1 4.25Å; F104-Y504 AromaticContact CZ-CE1 3.89Å; F104-Y504 HydrophobicContact CZ-CE1 3.89Å; A502-Y504 HydrophobicContact CB-CD2 4.15Å; A502-Y504 HydrophobicContact CB-CE2 3.58Å
505	N	95.6	Very high	93.4	Very high	105 Å²	105	52.1 Å²	52.1	56%	0.561	31%	0.309	S	S	*	.			trans	-55.5	148.3	172.9	-72.4	-41	0	0	0	111.1	V109 D503	V109-N505 HydrophobicContact CG2-CB 3.85Å; V109-N505 WeakPolarHBondContact CG2-O 3.26Å; V109-N505 PolarHBondContact N-O 3.27Å; D503-N505 WeakPolarHBondContact OD1-CB 3.46Å; D503-N505 PolarHBondContact OD1-N 2.73Å; D503-N505 PolarHBondContact OD1-ND2 3.38Å; D503-N505 PolarHBondContact OD2-ND2 3.31Å
506	Q	93.1	Very high	92.8	Very high	106 Å²	106	56.3 Å²	56.3	50%	0.495	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-128	139.1	-174.9	-72	-179.6	31.7	0	0	110.7	A105 N107	A105-Q506 HydrophobicContact CB-CG 4.4Å; N107-Q506 VanDerWaalsContact CG-OE1 3.26Å; N107-Q506 WeakPolarHBondContact ND2-CB 3.47Å; N107-Q506 PolarHBondContact ND2-OE1 3.33Å; N107-Q506 CarbonylContact O-C 3.42Å; N107-Q506 VanDerWaalsContact O-CA 3.23Å; N107-Q506 WeakPolarHBondContact O-CA 3.42Å; N107-Q506 WeakPolarHBondContact OD1-CG 3.38Å; N107-Q506 PolarHBondContact OD1-OE1 3.36Å
507	D	90.5	Very high	92.2	Very high	75 Å²	75	65.8 Å²	65.8	40%	0.401	35%	0.353	S	S	.	.			trans	-137.6	128.3	173.7	-175.3	-23.5	0	0	0	108.4	N107 V109 L509 A510	N107-D507 VanDerWaalsContact CB-O 3.31Å; N107-D507 WeakPolarHBondContact CB-O 3.37Å; N107-D507 PolarHBondContact O-N 3.4Å; V109-D507 HydrophobicContact CG1-CB 3.52Å; D507-L509 PolarHBondContact O-N 2.73Å; D507-L509 WeakPolarHBondContact OD1-CB 3.31Å; D507-L509 VanDerWaalsContact O-N 3.09Å; D507-L509 PolarHBondContact OD1-N 2.92Å; D507-L509 WeakPolarHBondContact OD1-CG 3.25Å; D507-A510 HydrophobicContact CB-CB 4.28Å; D507-A510 WeakPolarHBondContact O-CA 3.02Å; D507-A510 WeakPolarHBondContact O-CB 3.29Å; D507-A510 PolarHBondContact O-N 3.18Å
508	E	85.2	Confident	91.6	Very high	85 Å²	85	65.8 Å²	65.8	40%	0.397	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-54	-30.4	177	-66.3	-171.2	175.5	0	0	112.4	V186 I187 A510 A511	V186-E508 WeakPolarHBondContact CG1-OE2 3.49Å; I187-E508 HydrophobicContact CB-CB 4.48Å; I187-E508 VanDerWaalsContact O-CD 3.22Å; E508-A510 PolarHBondContact O-N 2.75Å; E508-A511 PolarHBondContact O-N 3.37Å
509	L	86.3	Confident	90.8	Very high	109 Å²	109	66.1 Å²	66.1	57%	0.571	33%	0.334	S	S	*	.	G	3₁₀ helix	trans	-72	-9.9	175.8	-54.7	178	0	0	0	113.1	D507 R516	D507-L509 PolarHBondContact O-N 2.73Å; D507-L509 WeakPolarHBondContact OD1-CB 3.31Å; D507-L509 VanDerWaalsContact O-N 3.09Å; D507-L509 PolarHBondContact OD1-N 2.92Å; D507-L509 WeakPolarHBondContact OD1-CG 3.25Å; L509-R516 PolarHBondContact O-NH2 3.33Å
510	A	91.1	Very high	90.1	Very high	10 Å²	10	64 Å²	64	8%	0.083	32%	0.321	C	S	.	.	G	3₁₀ helix	trans	-87.9	-7.8	177.6	0	0	0	0	0	112.4	N107 V109 H140 N141 D507 E508	N107-A510 WeakPolarHBondContact O-CB 3.39Å; V109-A510 HydrophobicContact CG1-CB 4.08Å; H140-A510 PolarHBondContact NE2-O 2.79Å; N141-A510 VanDerWaalsContact ND2-CB 3.34Å; N141-A510 WeakPolarHBondContact ND2-CB 3.44Å; N141-A510 PolarHBondContact ND2-O 3.22Å; N141-A510 PolarHBondContact OD1-O 2.83Å; D507-A510 HydrophobicContact CB-CB 4.28Å; D507-A510 WeakPolarHBondContact O-CA 3.02Å; D507-A510 WeakPolarHBondContact O-CB 3.29Å; D507-A510 PolarHBondContact O-N 3.18Å; E508-A510 PolarHBondContact O-N 2.75Å
511	A	90.8	Very high	89.2	Confident	2 Å²	2	64.1 Å²	64.1	2%	0.017	32%	0.321	C	S	.	.	S	Bend	trans	-68.8	131.9	174	0	0	0	0	0	111	V106 I187 E508 C513	V106-A511 WeakPolarHBondContact O-CA 3.15Å; I187-A511 HydrophobicContact CD1-CB 4.27Å; I187-A511 HydrophobicContact CG2-CB 4.17Å; E508-A511 PolarHBondContact O-N 3.37Å; A511-C513 PolarHBondContact O-N 3.41Å
512	P	90.6	Very high	88.4	Confident	18 Å²	18	62 Å²	62	12%	0.117	30%	0.299	C	S	.	.			trans	-64.1	131.1	178.6	-17	28.9	0	0	0	111.1	H140 P158 Y159 P204 I211 Q214	H140-P512 VanDerWaalsContact CD2-CG 3.49Å; H140-P512 WeakPolarHBondContact CD2-CG 3.16Å; P158-P512 HydrophobicContact CG-CG 4.26Å; Y159-P512 HydrophobicContact CE1-CG 3.91Å; P204-P512 HydrophobicContact CG-CB 3.95Å; P204-P512 HydrophobicContact CG-CG 4.23Å; I211-P512 HydrophobicContact CD1-CB 3.99Å; Q214-P512 PolarHBondContact NE2-O 3.09Å
513	C	90.9	Very high	87.1	Confident	25 Å²	25	63.7 Å²	63.7	17%	0.169	31%	0.311	C	S	.	.			trans	-151.2	118.2	-178.1	-175.3	0	0	0	0	110.1	A511 D515 R516 C521	A511-C513 PolarHBondContact O-N 3.41Å; C513-D515 PolarHBondContact SG-O 3.42Å; C513-R516 PolarHBondContact SG-N 3.32Å; C513-R516 WeakPolarHBondContact SG-CA 3.46Å; C513-R516 HydrophobicContact CB-CG 4.04Å; C513-C521 VanDerWaalsContact CA-SG 3.59Å; C513-C521 HydrophobicContact CB-CB 3.83Å; C513-C521 WeakPolarHBondContact CB-SG 3.31Å; C513-C521 WeakPolarHBondContact SG-CB 3.33Å; C513-C521 CovalentContact SG-SG 2.02Å; C513-C521 PolarHBondContact SG-SG 2.81Å
514	C	90.2	Very high	85.7	Confident	43 Å²	43	67.1 Å²	67.1	29%	0.291	32%	0.324	S	S	.	.	S	Bend	trans	-68.8	-36	179.8	72.5	0	0	0	0	112.8	I211 C521 C523	I211-C514 HydrophobicContact CB-CB 4.22Å; I211-C514 HydrophobicContact CD1-CB 4.29Å; I211-C514 HydrophobicContact CG2-CB 4.04Å; C514-C521 VanDerWaalsContact SG-C 3.53Å; C514-C521 PolarHBondContact SG-O 3.3Å; C514-C523 PolarHBondContact SG-SG 3.45Å; C514-C523 CovalentContact SG-SG 2.04Å; C514-C523 VanDerWaalsContact SG-N 3.42Å; C514-C523 PolarHBondContact SG-N 3.39Å; C514-C523 WeakPolarHBondContact CB-SG 3.34Å; C514-C523 HydrophobicContact CB-CB 3.93Å; C514-C523 VanDerWaalsContact C-SG 3.59Å; C514-C523 WeakPolarHBondContact SG-CB 3.26Å
515	D	88.8	Confident	83.3	Confident	29 Å²	29	70.7 Å²	70.7	16%	0.155	35%	0.351	C	S	.	.			trans	-145.3	107.1	173.3	-172.8	-11	0	0	0	110.3	C513 R517 Q518	C513-D515 PolarHBondContact SG-O 3.42Å; D515-R517 IonicContact OD2-NE 3.44Å; D515-R517 PolarHBondContact OD2-NH2 2.72Å; D515-R517 IonicContact OD2-NH2 2.83Å; D515-R517 PolarHBondContact OD2-NE 3.46Å; D515-R517 IonicContact OD2-CZ 3.55Å; D515-R517 IonicContact OD1-NH2 3.59Å; D515-R517 PolarHBondContact OD1-NE 2.75Å; D515-R517 PolarHBondContact OD1-N 3.07Å; D515-R517 IonicContact OD1-CZ 3.72Å; D515-R517 WeakPolarHBondContact OD1-CB 3.18Å; D515-R517 VanDerWaalsContact OD1-CB 3.27Å; D515-R517 VanDerWaalsContact O-N 3.13Å; D515-R517 PolarHBondContact O-N 3.17Å; D515-R517 IonicContact OD1-NE 2.94Å; D515-Q518 PolarHBondContact O-N 3.49Å; D515-Q518 HydrophobicContact CB-CG 4.2Å
516	R	85.6	Confident	80.6	Confident	146 Å²	146	72.8 Å²	72.8	55%	0.551	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-12.8	-179.1	-67.9	-174.1	-178.9	-154.3	-2.5	114.2	L509 C513 Q518	L509-R516 PolarHBondContact O-NH2 3.33Å; C513-R516 PolarHBondContact SG-N 3.32Å; C513-R516 WeakPolarHBondContact SG-CA 3.46Å; C513-R516 HydrophobicContact CB-CG 4.04Å; R516-Q518 VanDerWaalsContact C-N 3.29Å
517	R	84.4	Confident	77.7	Confident	211 Å²	211	76.4 Å²	76.4	80%	0.796	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-16	175.7	-58.4	168.9	-64.1	176.4	6.4	111.7	D515	D515-R517 IonicContact OD2-NE 3.44Å; D515-R517 PolarHBondContact OD2-NH2 2.72Å; D515-R517 IonicContact OD2-NH2 2.83Å; D515-R517 PolarHBondContact OD2-NE 3.46Å; D515-R517 IonicContact OD2-CZ 3.55Å; D515-R517 IonicContact OD1-NH2 3.59Å; D515-R517 PolarHBondContact OD1-NE 2.75Å; D515-R517 PolarHBondContact OD1-N 3.07Å; D515-R517 IonicContact OD1-CZ 3.72Å; D515-R517 WeakPolarHBondContact OD1-CB 3.18Å; D515-R517 VanDerWaalsContact OD1-CB 3.27Å; D515-R517 VanDerWaalsContact O-N 3.13Å; D515-R517 PolarHBondContact O-N 3.17Å; D515-R517 IonicContact OD1-NE 2.94Å
518	Q	83.6	Confident	77.1	Confident	88 Å²	88	76.5 Å²	76.5	41%	0.411	40%	0.402	S	S	.	.	S	Bend	trans	-100.3	141.9	-179.3	-61.1	-158.9	39.4	0	0	111.9	D515 R516 V520 C521 R522	D515-Q518 PolarHBondContact O-N 3.49Å; D515-Q518 HydrophobicContact CB-CG 4.2Å; R516-Q518 VanDerWaalsContact C-N 3.29Å; Q518-V520 PolarHBondContact O-N 3.11Å; Q518-C521 PolarHBondContact O-N 2.93Å; Q518-R522 VanDerWaalsContact CD-O 3.23Å; Q518-R522 PolarHBondContact NE2-O 2.91Å; Q518-R522 PolarHBondContact OE1-O 2.78Å
519	A	80.3	Confident	76.6	Confident	28 Å²	28	76.1 Å²	76.1	23%	0.231	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	135.2	169.7	0	0	0	0	0	109.8	C521	A519-C521 PolarHBondContact O-N 3.14Å
520	V	82.4	Confident	76.1	Confident	13 Å²	13	74.2 Å²	74.2	8%	0.079	39%	0.393	C	S	.	.	B	Isolated β-bridge	trans	62.8	10.2	175.7	-169.3	0	0	0	0	113.6	C165 C179 V180 G202 P215 Q518 R522	C165-V520 WeakPolarHBondContact SG-CG1 2.8Å; C179-V520 HydrophobicContact CB-CG1 3.77Å; C179-V520 WeakPolarHBondContact SG-CG1 3.49Å; V180-V520 WeakPolarHBondContact O-CG2 3.48Å; G202-V520 WeakPolarHBondContact CA-O 3.02Å; G202-V520 PolarHBondContact N-O 3.45Å; P215-V520 HydrophobicContact CG-CG1 4.33Å; Q518-V520 PolarHBondContact O-N 3.11Å; V520-R522 HydrophobicContact CB-CG 4.34Å
521	C	77.8	Confident	75.2	Confident	8 Å²	8	78 Å²	78	5%	0.054	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.7	56.6	176.7	-51.7	0	0	0	0	113.1	Q214 C513 C514 Q518 A519	Q214-C521 WeakPolarHBondContact CB-O 3.48Å; Q214-C521 VanDerWaalsContact CD-CB 3.46Å; Q214-C521 HydrophobicContact CG-CB 4.32Å; Q214-C521 WeakPolarHBondContact CG-O 3.19Å; Q214-C521 PolarHBondContact OE1-O 2.85Å; Q214-C521 VanDerWaalsContact OE1-O 3.05Å; C513-C521 VanDerWaalsContact CA-SG 3.59Å; C513-C521 HydrophobicContact CB-CB 3.83Å; C513-C521 WeakPolarHBondContact CB-SG 3.31Å; C513-C521 WeakPolarHBondContact SG-CB 3.33Å; C513-C521 CovalentContact SG-SG 2.02Å; C513-C521 PolarHBondContact SG-SG 2.81Å; C514-C521 VanDerWaalsContact SG-C 3.53Å; C514-C521 PolarHBondContact SG-O 3.3Å; Q518-C521 PolarHBondContact O-N 2.93Å; A519-C521 PolarHBondContact O-N 3.14Å
522	R	78.7	Confident	74.2	Confident	79 Å²	79	82.8 Å²	82.8	30%	0.298	44%	0.436	S	S	.	.			trans	-90.9	120.9	-179.2	-47.2	-171.8	-79.8	177.3	-1.1	112.4	Q214 P215 Q518 V520	Q214-R522 WeakPolarHBondContact O-CA 3.45Å; P215-R522 VanDerWaalsContact CD-CG 3.44Å; P215-R522 HydrophobicContact CG-CG 3.67Å; Q518-R522 VanDerWaalsContact CD-O 3.23Å; Q518-R522 PolarHBondContact NE2-O 2.91Å; Q518-R522 PolarHBondContact OE1-O 2.78Å; V520-R522 HydrophobicContact CB-CG 4.34Å
523	C	71.3	Confident	73.1	Confident	47 Å²	47	87.1 Å²	87.1	32%	0.318	46%	0.458	S	S	.	.			trans	-126.6	109	177.4	-58.4	0	0	0	0	111.4	Q214 C514	Q214-C523 PolarHBondContact O-N 3.02Å; C514-C523 PolarHBondContact SG-SG 3.45Å; C514-C523 CovalentContact SG-SG 2.04Å; C514-C523 VanDerWaalsContact SG-N 3.42Å; C514-C523 PolarHBondContact SG-N 3.39Å; C514-C523 WeakPolarHBondContact CB-SG 3.34Å; C514-C523 HydrophobicContact CB-CB 3.93Å; C514-C523 VanDerWaalsContact C-SG 3.59Å; C514-C523 WeakPolarHBondContact SG-CB 3.26Å
524	H	66.7	Low	71.9	Confident	136 Å²	136	91.5 Å²	91.5	63%	0.63	48%	0.478	S	S	*	.			trans	-130.2	114.1	165.7	-57.2	-32.1	0	0	0	105.7
525	T	46.1	Very low	70.5	Confident	121 Å²	121	95.2 Å²	95.2	74%	0.742	49%	0.493	S	S	*	.			cis	-140.6	165.6	36.3	34.9	0	0	0	0	112.1
526	V	38.4	Very low	68.9	Low	149 Å²	149	100.8 Å²	100.8	90%	0.903	52%	0.521	S	S	*	.			trans	-112.2	127.4	132.3	-173.9	0	0	0	0	107.1
527	C	32	Very low	67.4	Low	183 Å²	183	96.6 Å²	96.6	100%	1.236	52%	0.518	S	S	*	.			trans	-59.5	0	175	-65.3	0	0	0	0	114

Retrieved 527 of 527 residues in 303.3 ms (Link to these results)

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