A0A060XUF1_ONCMY Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A060XUF1, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene st6galnac4, Length 295 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	Low	66.1	Low	226 Å²	226	134.5 Å²	134.5	100%	1.113	63%	0.626	S	S	*	*				0	125.3	0	-75.6	166.3	83.5	0	0	107.7	M3	M1-M3 PolarHBondContact O-N 3.34Å
2	D	59.5	Low	66.9	Low	106 Å²	106	127.9 Å²	127.9	57%	0.567	60%	0.604	S	S	*	*			trans	-73	114.2	-167.6	-174.3	-3.4	0	0	0	111.8	K4 S5 Q6	D2-K4 PolarHBondContact O-N 3.34Å; D2-K4 VanDerWaalsContact O-N 3.11Å; D2-K4 WeakPolarHBondContact OD1-CB 3.47Å; D2-K4 PolarHBondContact OD1-N 3.08Å; D2-S5 PolarHBondContact O-N 3.02Å; D2-S5 VanDerWaalsContact O-N 3.08Å; D2-Q6 PolarHBondContact O-N 3.11Å
3	M	56.3	Low	67.7	Low	128 Å²	128	125.6 Å²	125.6	63%	0.631	60%	0.597	S	S	*	*	H	α-helix	trans	-57.4	-23.7	179.4	-72.1	171.3	58.4	0	0	112.8	M1 R7	M1-M3 PolarHBondContact O-N 3.34Å; M3-R7 VanDerWaalsContact O-CG 3.3Å; M3-R7 WeakPolarHBondContact O-CG 3.49Å; M3-R7 PolarHBondContact O-N 3.13Å; M3-R7 VanDerWaalsContact O-N 3.16Å
4	K	63.7	Low	68.7	Low	165 Å²	165	122.3 Å²	122.3	72%	0.717	59%	0.589	S	S	*	*	H	α-helix	trans	-72.6	-40.8	176.3	-71.2	-178.9	177.5	177.9	0	112.2	D2 Q6 R7 F8	D2-K4 PolarHBondContact O-N 3.34Å; D2-K4 VanDerWaalsContact O-N 3.11Å; D2-K4 WeakPolarHBondContact OD1-CB 3.47Å; D2-K4 PolarHBondContact OD1-N 3.08Å; K4-Q6 VanDerWaalsContact C-N 3.33Å; K4-Q6 PolarHBondContact O-N 3.41Å; K4-R7 PolarHBondContact O-N 2.98Å; K4-F8 WeakPolarHBondContact O-CB 3.3Å; K4-F8 PolarHBondContact O-N 3.39Å
5	S	64.5	Low	69.7	Low	64 Å²	64	120.8 Å²	120.8	45%	0.448	58%	0.584	S	S	.	*	H	α-helix	trans	-65.9	-37.6	178	-179.7	0	0	0	0	111.8	D2 F8 H9	D2-S5 PolarHBondContact O-N 3.02Å; D2-S5 VanDerWaalsContact O-N 3.08Å; S5-F8 PolarHBondContact O-N 3.16Å; S5-H9 PolarHBondContact O-N 3.49Å; S5-H9 PolarHBondContact O-ND1 3Å; S5-H9 VanDerWaalsContact O-ND1 3.13Å
6	Q	65.3	Low	70.5	Confident	109 Å²	109	119 Å²	119	51%	0.509	58%	0.582	S	S	.	*	H	α-helix	trans	-70.4	-40.5	177.2	-161.6	163.6	4.6	0	0	111.8	D2 K4 F8 H9 W10	D2-Q6 PolarHBondContact O-N 3.11Å; K4-Q6 VanDerWaalsContact C-N 3.33Å; K4-Q6 PolarHBondContact O-N 3.41Å; Q6-F8 VanDerWaalsContact C-N 3.34Å; Q6-F8 PolarHBondContact O-N 3.5Å; Q6-H9 PolarHBondContact O-N 3.34Å; Q6-W10 PolarHBondContact O-N 3.41Å
7	R	70.1	Confident	71	Confident	165 Å²	165	116.1 Å²	116.1	62%	0.623	57%	0.573	S	S	*	*	H	α-helix	trans	-62.5	-39.6	172.7	-75.6	178.7	-179.2	-169.5	1.1	112.2	M3 K4 W10 I11	M3-R7 VanDerWaalsContact O-CG 3.3Å; M3-R7 WeakPolarHBondContact O-CG 3.49Å; M3-R7 PolarHBondContact O-N 3.13Å; M3-R7 VanDerWaalsContact O-N 3.16Å; K4-R7 PolarHBondContact O-N 2.98Å; R7-W10 PolarHBondContact O-N 3Å; R7-I11 WeakPolarHBondContact O-CD1 3.27Å; R7-I11 VanDerWaalsContact O-CG1 3.23Å; R7-I11 WeakPolarHBondContact O-CG1 3.23Å; R7-I11 PolarHBondContact O-N 3.49Å
8	F	72.1	Confident	71.6	Confident	140 Å²	140	114.9 Å²	114.9	61%	0.614	57%	0.569	S	S	*	*	H	α-helix	trans	-64.9	-41.7	176.3	-161.3	-96.9	0	0	0	111.9	K4 S5 Q6 I11 C12	K4-F8 WeakPolarHBondContact O-CB 3.3Å; K4-F8 PolarHBondContact O-N 3.39Å; S5-F8 PolarHBondContact O-N 3.16Å; Q6-F8 VanDerWaalsContact C-N 3.34Å; Q6-F8 PolarHBondContact O-N 3.5Å; F8-I11 PolarHBondContact O-N 3.35Å; F8-C12 PolarHBondContact O-N 3.35Å; F8-C12 PolarHBondContact O-SG 3.38Å; F8-C12 VanDerWaalsContact O-SG 3.41Å
9	H	70.4	Confident	72.1	Confident	120 Å²	120	112.5 Å²	112.5	56%	0.556	56%	0.564	S	S	*	*	H	α-helix	trans	-60.6	-44.9	173.4	-90.6	80	0	0	0	112.8	S5 Q6 I11 C12 L13	S5-H9 PolarHBondContact O-N 3.49Å; S5-H9 PolarHBondContact O-ND1 3Å; S5-H9 VanDerWaalsContact O-ND1 3.13Å; Q6-H9 PolarHBondContact O-N 3.34Å; H9-I11 PolarHBondContact O-N 3.3Å; H9-C12 PolarHBondContact O-N 3.36Å; H9-L13 WeakPolarHBondContact O-CB 3.43Å; H9-L13 PolarHBondContact O-N 2.89Å
10	W	70.8	Confident	72.4	Confident	160 Å²	160	111.2 Å²	111.2	61%	0.606	56%	0.562	S	S	*	*	H	α-helix	trans	-64.2	-39.5	177.6	-79.5	112.3	0	0	0	112.5	Q6 R7 L13 V14	Q6-W10 PolarHBondContact O-N 3.41Å; R7-W10 PolarHBondContact O-N 3Å; W10-L13 PolarHBondContact O-N 2.98Å; W10-V14 VanDerWaalsContact O-CG2 3.31Å; W10-V14 WeakPolarHBondContact O-CG2 3.33Å; W10-V14 PolarHBondContact O-N 2.99Å
11	I	80.2	Confident	72.8	Confident	97 Å²	97	111 Å²	111	50%	0.497	56%	0.562	S	S	.	*	H	α-helix	trans	-64	-45.3	175.9	-68.4	164	0	0	0	110.5	R7 F8 H9 L13 V14 I15	R7-I11 WeakPolarHBondContact O-CD1 3.27Å; R7-I11 VanDerWaalsContact O-CG1 3.23Å; R7-I11 WeakPolarHBondContact O-CG1 3.23Å; R7-I11 PolarHBondContact O-N 3.49Å; F8-I11 PolarHBondContact O-N 3.35Å; H9-I11 PolarHBondContact O-N 3.3Å; I11-L13 VanDerWaalsContact C-N 3.33Å; I11-L13 PolarHBondContact O-N 2.93Å; I11-V14 PolarHBondContact O-N 3.43Å; I11-I15 HydrophobicContact CG2-CD1 3.73Å; I11-I15 HydrophobicContact CG2-CG1 4.43Å; I11-I15 VanDerWaalsContact O-CG1 3.27Å; I11-I15 WeakPolarHBondContact O-CG1 3.44Å; I11-I15 PolarHBondContact O-N 2.95Å
12	C	75.8	Confident	74	Confident	55 Å²	55	105.4 Å²	105.4	37%	0.372	54%	0.536	S	S	.	.	H	α-helix	trans	-61	-41.4	175.7	-72.6	0	0	0	0	112.2	F8 H9 I15 V16	F8-C12 PolarHBondContact O-N 3.35Å; F8-C12 PolarHBondContact O-SG 3.38Å; F8-C12 VanDerWaalsContact O-SG 3.41Å; H9-C12 PolarHBondContact O-N 3.36Å; C12-I15 PolarHBondContact O-N 3.34Å; C12-V16 VanDerWaalsContact O-CG2 3.28Å; C12-V16 WeakPolarHBondContact O-CG2 3.28Å; C12-V16 PolarHBondContact O-N 3.45Å
13	L	77.8	Confident	74.8	Confident	98 Å²	98	108 Å²	108	51%	0.513	54%	0.538	S	S	.	.	H	α-helix	trans	-64.3	-40.9	177.2	-117.7	140.3	0	0	0	112.2	H9 W10 I11 T17	H9-L13 WeakPolarHBondContact O-CB 3.43Å; H9-L13 PolarHBondContact O-N 2.89Å; W10-L13 PolarHBondContact O-N 2.98Å; I11-L13 VanDerWaalsContact C-N 3.33Å; I11-L13 PolarHBondContact O-N 2.93Å; L13-T17 WeakPolarHBondContact O-CB 3.39Å; L13-T17 VanDerWaalsContact O-CG2 3.25Å; L13-T17 WeakPolarHBondContact O-CG2 3.23Å; L13-T17 PolarHBondContact O-N 2.9Å; L13-T17 PolarHBondContact O-OG1 2.75Å
14	V	81.4	Confident	75.5	Confident	79 Å²	79	109 Å²	109	48%	0.479	54%	0.536	S	S	.	.	H	α-helix	trans	-66.7	-41.7	175.8	172.4	0	0	0	0	111	W10 I11 T17 L18	W10-V14 VanDerWaalsContact O-CG2 3.31Å; W10-V14 WeakPolarHBondContact O-CG2 3.33Å; W10-V14 PolarHBondContact O-N 2.99Å; I11-V14 PolarHBondContact O-N 3.43Å; V14-T17 WeakPolarHBondContact CA-OG1 3.31Å; V14-T17 PolarHBondContact O-N 2.98Å; V14-T17 PolarHBondContact O-OG1 3.46Å; V14-L18 HydrophobicContact CG1-CD1 4.29Å; V14-L18 WeakPolarHBondContact O-CB 3.31Å; V14-L18 PolarHBondContact O-N 2.98Å
15	I	83.6	Confident	75.9	Confident	100 Å²	100	104 Å²	104	51%	0.513	52%	0.519	S	S	.	.	H	α-helix	trans	-63.8	-47.8	178.1	-68.5	166.7	0	0	0	110.5	I11 C12 T17 L18 S19	I11-I15 HydrophobicContact CG2-CD1 3.73Å; I11-I15 HydrophobicContact CG2-CG1 4.43Å; I11-I15 VanDerWaalsContact O-CG1 3.27Å; I11-I15 WeakPolarHBondContact O-CG1 3.44Å; I11-I15 PolarHBondContact O-N 2.95Å; C12-I15 PolarHBondContact O-N 3.34Å; I15-T17 PolarHBondContact O-N 3.01Å; I15-L18 PolarHBondContact O-N 2.95Å; I15-S19 WeakPolarHBondContact O-CB 3.47Å; I15-S19 PolarHBondContact O-N 3.35Å; I15-S19 PolarHBondContact O-OG 2.94Å
16	V	82.1	Confident	76.1	Confident	92 Å²	92	107 Å²	107	56%	0.558	53%	0.526	S	S	*	.	H	α-helix	trans	-62.8	-43.1	179.5	172.6	0	0	0	0	111.1	C12 S19 V20	C12-V16 VanDerWaalsContact O-CG2 3.28Å; C12-V16 WeakPolarHBondContact O-CG2 3.28Å; C12-V16 PolarHBondContact O-N 3.45Å; V16-S19 PolarHBondContact O-N 3.37Å; V16-V20 HydrophobicContact CG1-CG2 4.47Å; V16-V20 VanDerWaalsContact O-CG2 3.27Å; V16-V20 WeakPolarHBondContact O-CG2 3.38Å; V16-V20 PolarHBondContact O-N 3.43Å
17	T	79.4	Confident	75.7	Confident	69 Å²	69	106 Å²	106	42%	0.423	52%	0.523	S	S	.	.	H	α-helix	trans	-67	-39.9	178.2	49.5	0	0	0	0	112.3	L13 V14 I15 V20 L21	L13-T17 WeakPolarHBondContact O-CB 3.39Å; L13-T17 VanDerWaalsContact O-CG2 3.25Å; L13-T17 WeakPolarHBondContact O-CG2 3.23Å; L13-T17 PolarHBondContact O-N 2.9Å; L13-T17 PolarHBondContact O-OG1 2.75Å; V14-T17 WeakPolarHBondContact CA-OG1 3.31Å; V14-T17 PolarHBondContact O-N 2.98Å; V14-T17 PolarHBondContact O-OG1 3.46Å; I15-T17 PolarHBondContact O-N 3.01Å; T17-V20 PolarHBondContact O-N 2.94Å; T17-L21 WeakPolarHBondContact O-CB 3.37Å; T17-L21 WeakPolarHBondContact O-CG 3.25Å; T17-L21 PolarHBondContact O-N 2.86Å
18	L	81.9	Confident	75.1	Confident	96 Å²	96	101.9 Å²	101.9	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-64.6	-41.5	174	-123.4	97.6	0	0	0	111.7	V14 I15 L21 L22	V14-L18 HydrophobicContact CG1-CD1 4.29Å; V14-L18 WeakPolarHBondContact O-CB 3.31Å; V14-L18 PolarHBondContact O-N 2.98Å; I15-L18 PolarHBondContact O-N 2.95Å; L18-L21 PolarHBondContact O-N 2.81Å; L18-L22 HydrophobicContact CD2-CD1 4.38Å; L18-L22 VanDerWaalsContact O-CB 3.31Å; L18-L22 WeakPolarHBondContact O-CB 3.35Å; L18-L22 VanDerWaalsContact O-CG 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.18Å; L18-L22 PolarHBondContact O-N 3.49Å
19	S	80.6	Confident	74.2	Confident	69 Å²	69	105 Å²	105	48%	0.483	52%	0.523	S	S	.	.	H	α-helix	trans	-64.9	-40	177.4	-62.6	0	0	0	0	112.1	I15 V16 W23	I15-S19 WeakPolarHBondContact O-CB 3.47Å; I15-S19 PolarHBondContact O-N 3.35Å; I15-S19 PolarHBondContact O-OG 2.94Å; V16-S19 PolarHBondContact O-N 3.37Å; S19-W23 WeakPolarHBondContact O-CB 3.38Å; S19-W23 PolarHBondContact O-N 2.91Å
20	V	79.5	Confident	73	Confident	86 Å²	86	102.8 Å²	102.8	52%	0.521	52%	0.521	S	S	.	.	H	α-helix	trans	-67.9	-40.1	175.1	172.4	0	0	0	0	111.2	V16 T17 W23 Y24	V16-V20 HydrophobicContact CG1-CG2 4.47Å; V16-V20 VanDerWaalsContact O-CG2 3.27Å; V16-V20 WeakPolarHBondContact O-CG2 3.38Å; V16-V20 PolarHBondContact O-N 3.43Å; T17-V20 PolarHBondContact O-N 2.94Å; V20-W23 PolarHBondContact O-N 2.8Å; V20-Y24 VanDerWaalsContact O-CB 3.26Å; V20-Y24 WeakPolarHBondContact O-CB 3.22Å; V20-Y24 PolarHBondContact O-N 2.77Å
21	L	79	Confident	71.8	Confident	106 Å²	106	101.7 Å²	101.7	56%	0.555	53%	0.528	S	S	*	.	H	α-helix	trans	-66.3	-42.9	175	-79.8	164.6	0	0	0	111.9	T17 L18 W23 Y24 V25	T17-L21 WeakPolarHBondContact O-CB 3.37Å; T17-L21 WeakPolarHBondContact O-CG 3.25Å; T17-L21 PolarHBondContact O-N 2.86Å; L18-L21 PolarHBondContact O-N 2.81Å; L21-W23 VanDerWaalsContact C-N 3.34Å; L21-Y24 PolarHBondContact O-N 3.36Å; L21-V25 WeakPolarHBondContact O-CB 3.26Å; L21-V25 WeakPolarHBondContact O-CG2 3.27Å; L21-V25 PolarHBondContact O-N 3.28Å
22	L	80.7	Confident	70.1	Confident	110 Å²	110	100.8 Å²	100.8	58%	0.576	54%	0.542	S	S	*	.	H	α-helix	trans	-65.9	-37.8	175.4	-73.7	169.4	0	0	0	111.5	L18 V25 H26	L18-L22 HydrophobicContact CD2-CD1 4.38Å; L18-L22 VanDerWaalsContact O-CB 3.31Å; L18-L22 WeakPolarHBondContact O-CB 3.35Å; L18-L22 VanDerWaalsContact O-CG 3.23Å; L18-L22 WeakPolarHBondContact O-CG 3.18Å; L18-L22 PolarHBondContact O-N 3.49Å; L22-V25 PolarHBondContact O-N 3.42Å; L22-H26 WeakPolarHBondContact O-CB 3.31Å; L22-H26 PolarHBondContact O-N 2.8Å
23	W	75	Confident	68.4	Low	161 Å²	161	102.5 Å²	102.5	61%	0.61	56%	0.555	S	S	*	*	H	α-helix	trans	-67.1	-41.1	172.9	-177.4	79.3	0	0	0	112	S19 V20 L21 H26 M27	S19-W23 WeakPolarHBondContact O-CB 3.38Å; S19-W23 PolarHBondContact O-N 2.91Å; V20-W23 PolarHBondContact O-N 2.8Å; L21-W23 VanDerWaalsContact C-N 3.34Å; W23-H26 PolarHBondContact O-N 3.33Å; W23-M27 HydrophobicContact CD2-CG 3.93Å; W23-M27 HydrophobicContact CE3-CG 4.3Å; W23-M27 HydrophobicContact CG-CG 4.43Å; W23-M27 HydrophobicContact CH2-CG 4.21Å; W23-M27 HydrophobicContact CH2-SD 4.18Å; W23-M27 HydrophobicContact CZ2-CG 3.82Å; W23-M27 HydrophobicContact CZ2-SD 3.61Å; W23-M27 HydrophobicContact CZ3-CG 4.43Å; W23-M27 WeakPolarHBondContact O-CB 3.21Å; W23-M27 WeakPolarHBondContact O-CG 3.18Å; W23-M27 PolarHBondContact O-N 2.78Å
24	Y	71.2	Confident	66.5	Low	147 Å²	147	104.7 Å²	104.7	58%	0.576	57%	0.567	S	S	*	*	H	α-helix	trans	-64.2	-42.2	173.9	-178.7	-97.2	0	0	0	111.7	V20 L21 H26 M27 T28	V20-Y24 VanDerWaalsContact O-CB 3.26Å; V20-Y24 WeakPolarHBondContact O-CB 3.22Å; V20-Y24 PolarHBondContact O-N 2.77Å; L21-Y24 PolarHBondContact O-N 3.36Å; Y24-H26 VanDerWaalsContact C-N 3.35Å; Y24-M27 PolarHBondContact O-N 3.22Å; Y24-T28 HydrophobicContact CD1-CG2 4.34Å; Y24-T28 HydrophobicContact CE1-CG2 4Å; Y24-T28 HydrophobicContact CE2-CG2 4.28Å; Y24-T28 WeakPolarHBondContact O-CB 3.18Å; Y24-T28 VanDerWaalsContact O-CG2 3.27Å; Y24-T28 WeakPolarHBondContact O-CG2 3.24Å; Y24-T28 PolarHBondContact O-N 3.33Å; Y24-T28 PolarHBondContact O-OG1 2.8Å
25	V	71.9	Confident	64.5	Low	62 Å²	62	105.4 Å²	105.4	38%	0.376	58%	0.575	S	S	.	*	H	α-helix	trans	-67.5	-35.4	174.7	170.6	0	0	0	0	111.2	L21 L22 T28 R29	L21-V25 WeakPolarHBondContact O-CB 3.26Å; L21-V25 WeakPolarHBondContact O-CG2 3.27Å; L21-V25 PolarHBondContact O-N 3.28Å; L22-V25 PolarHBondContact O-N 3.42Å; V25-T28 VanDerWaalsContact CA-OG1 3.31Å; V25-T28 WeakPolarHBondContact CA-OG1 3.34Å; V25-T28 PolarHBondContact O-OG1 3.45Å; V25-R29 WeakPolarHBondContact O-CB 3.27Å; V25-R29 WeakPolarHBondContact O-CG 3.37Å; V25-R29 PolarHBondContact O-N 3.36Å
26	H	68.5	Low	62.7	Low	127 Å²	127	108.4 Å²	108.4	59%	0.588	59%	0.589	S	S	*	*	H	α-helix	trans	-70.8	-42.1	174.9	-174.3	72.6	0	0	0	111.8	L22 W23 Y24 R29 S30	L22-H26 WeakPolarHBondContact O-CB 3.31Å; L22-H26 PolarHBondContact O-N 2.8Å; W23-H26 PolarHBondContact O-N 3.33Å; Y24-H26 VanDerWaalsContact C-N 3.35Å; H26-R29 PolarHBondContact O-N 2.85Å; H26-S30 VanDerWaalsContact O-CB 3.24Å; H26-S30 WeakPolarHBondContact O-CB 3.44Å; H26-S30 PolarHBondContact O-N 2.85Å
27	M	57.7	Low	61	Low	88 Å²	88	109.3 Å²	109.3	43%	0.433	60%	0.595	S	S	.	*	H	α-helix	trans	-64.5	-41.2	174.4	-70.8	-94.1	66.3	0	0	111.5	W23 Y24 S30	W23-M27 HydrophobicContact CD2-CG 3.93Å; W23-M27 HydrophobicContact CE3-CG 4.3Å; W23-M27 HydrophobicContact CG-CG 4.43Å; W23-M27 HydrophobicContact CH2-CG 4.21Å; W23-M27 HydrophobicContact CH2-SD 4.18Å; W23-M27 HydrophobicContact CZ2-CG 3.82Å; W23-M27 HydrophobicContact CZ2-SD 3.61Å; W23-M27 HydrophobicContact CZ3-CG 4.43Å; W23-M27 WeakPolarHBondContact O-CB 3.21Å; W23-M27 WeakPolarHBondContact O-CG 3.18Å; W23-M27 PolarHBondContact O-N 2.78Å; Y24-M27 PolarHBondContact O-N 3.22Å; M27-S30 PolarHBondContact O-N 3.49Å
28	T	57.4	Low	59.9	Low	78 Å²	78	111.3 Å²	111.3	48%	0.479	60%	0.603	S	S	.	*	H	α-helix	trans	-76.2	-24.5	176.3	53.9	0	0	0	0	113.5	Y24 V25	Y24-T28 HydrophobicContact CD1-CG2 4.34Å; Y24-T28 HydrophobicContact CE1-CG2 4Å; Y24-T28 HydrophobicContact CE2-CG2 4.28Å; Y24-T28 WeakPolarHBondContact O-CB 3.18Å; Y24-T28 VanDerWaalsContact O-CG2 3.27Å; Y24-T28 WeakPolarHBondContact O-CG2 3.24Å; Y24-T28 PolarHBondContact O-N 3.33Å; Y24-T28 PolarHBondContact O-OG1 2.8Å; V25-T28 VanDerWaalsContact CA-OG1 3.31Å; V25-T28 WeakPolarHBondContact CA-OG1 3.34Å; V25-T28 PolarHBondContact O-OG1 3.45Å
29	R	54.3	Low	59.5	Low	205 Å²	205	112.1 Å²	112.1	77%	0.774	61%	0.606	S	S	*	*	H	α-helix	trans	-80	-23.2	168.8	-87.5	179.2	140	157.5	-5.2	113.6	V25 H26 D31	V25-R29 WeakPolarHBondContact O-CB 3.27Å; V25-R29 WeakPolarHBondContact O-CG 3.37Å; V25-R29 PolarHBondContact O-N 3.36Å; H26-R29 PolarHBondContact O-N 2.85Å; R29-D31 VanDerWaalsContact C-N 3.31Å; R29-D31 PolarHBondContact O-N 2.74Å
30	S	44.9	Very low	59.7	Low	74 Å²	74	109 Å²	109	52%	0.517	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.7	-7.4	-178.2	-167.3	0	0	0	0	114.2	H26 M27	H26-S30 VanDerWaalsContact O-CB 3.24Å; H26-S30 WeakPolarHBondContact O-CB 3.44Å; H26-S30 PolarHBondContact O-N 2.85Å; M27-S30 PolarHBondContact O-N 3.49Å
31	D	45.4	Very low	60.4	Low	137 Å²	137	107.2 Å²	107.2	73%	0.733	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93	7	173	-87.9	-17.5	0	0	0	113.8	R29 S33	R29-D31 VanDerWaalsContact C-N 3.31Å; R29-D31 PolarHBondContact O-N 2.74Å; D31-S33 PolarHBondContact O-N 2.86Å
32	G	43.4	Very low	61.1	Low	77 Å²	77	107.1 Å²	107.1	79%	0.794	57%	0.569	S	S	*	*	S	Bend	trans	-79.7	5.3	175.9	0	0	0	0	0	115.4
33	S	41.1	Very low	61.8	Low	92 Å²	92	102.3 Å²	102.3	64%	0.643	55%	0.546	S	S	*	.			trans	-125.5	56.9	172.3	167.2	0	0	0	0	109	D31 S35	D31-S33 PolarHBondContact O-N 2.86Å; S33-S35 PolarHBondContact O-N 3.4Å
34	N	37.7	Very low	62.8	Low	144 Å²	144	94.8 Å²	94.8	77%	0.77	52%	0.517	S	S	*	.			trans	-63.8	89.5	152.6	-116.7	-10.9	0	0	0	106.1	M36	N34-M36 PolarHBondContact O-N 2.73Å
35	S	39.5	Very low	64	Low	94 Å²	94	88.9 Å²	88.9	66%	0.657	50%	0.496	S	S	*	.			trans	-57.4	86.9	151.8	-60.1	0	0	0	0	104.3	S33 V37	S33-S35 PolarHBondContact O-N 3.4Å; S35-V37 PolarHBondContact O-N 2.74Å
36	M	44.4	Very low	65.2	Low	162 Å²	162	88.5 Å²	88.5	80%	0.798	49%	0.487	S	S	*	.			trans	-51.5	104	168.1	-99.7	-179.6	66.4	0	0	103.9	N34 N38	N34-M36 PolarHBondContact O-N 2.73Å; M36-N38 VanDerWaalsContact C-N 3.33Å; M36-N38 PolarHBondContact O-N 2.85Å
37	V	47.8	Very low	66.5	Low	112 Å²	112	82.7 Å²	82.7	68%	0.679	46%	0.461	S	S	*	.			trans	-50.3	113.8	163.8	178.9	0	0	0	0	102.5	S35 I39	S35-V37 PolarHBondContact O-N 2.74Å; V37-I39 HydrophobicContact CB-CD1 4.36Å; V37-I39 HydrophobicContact CB-CG1 4.04Å; V37-I39 HydrophobicContact CG1-CD1 4.47Å; V37-I39 HydrophobicContact CG1-CG1 3.75Å; V37-I39 WeakPolarHBondContact O-CG1 3.37Å; V37-I39 PolarHBondContact O-N 2.66Å
38	N	55.2	Low	68.2	Low	111 Å²	111	80 Å²	80	59%	0.594	45%	0.449	S	S	*	.			trans	-72.5	71.9	-177.4	-171.8	-20.9	0	0	0	106.8	M36 G40 K57	M36-N38 VanDerWaalsContact C-N 3.33Å; M36-N38 PolarHBondContact O-N 2.85Å; N38-G40 PolarHBondContact O-N 3.3Å; N38-K57 WeakPolarHBondContact O-CE 3.16Å; N38-K57 PolarHBondContact O-NZ 2.74Å
39	I	74	Confident	69.6	Low	112 Å²	112	79.6 Å²	79.6	57%	0.574	45%	0.448	S	S	*	.			trans	-70.3	108.9	170.6	-56	162.2	0	0	0	102	V37 F55	V37-I39 HydrophobicContact CB-CD1 4.36Å; V37-I39 HydrophobicContact CB-CG1 4.04Å; V37-I39 HydrophobicContact CG1-CD1 4.47Å; V37-I39 HydrophobicContact CG1-CG1 3.75Å; V37-I39 WeakPolarHBondContact O-CG1 3.37Å; V37-I39 PolarHBondContact O-N 2.66Å; I39-F55 HydrophobicContact CG2-CD2 4.28Å
40	G	85.8	Confident	70.7	Confident	4 Å²	4	74.3 Å²	74.3	4%	0.041	46%	0.457	C	S	.	.			trans	-54.4	170.9	-173	0	0	0	0	0	113.1	N38 Q42 F55 L56	N38-G40 PolarHBondContact O-N 3.3Å; G40-Q42 PolarHBondContact O-N 3.14Å; G40-F55 VanDerWaalsContact C-CB 3.49Å; G40-F55 WeakPolarHBondContact O-CB 3.48Å; G40-L56 CarbonylContact C-O 3.51Å; G40-L56 WeakPolarHBondContact CA-O 3.39Å
41	L	93.7	Very high	72	Confident	48 Å²	48	78.7 Å²	78.7	25%	0.251	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.5	111.6	-177.2	-172.7	65.4	0	0	0	111.2	Y44 L56 L207 D210 I211	L41-Y44 HydrophobicContact CB-CD2 4.26Å; L41-Y44 HydrophobicContact CD2-CD2 3.51Å; L41-Y44 HydrophobicContact CD2-CE2 3.4Å; L41-Y44 VanDerWaalsContact CD2-CE2 3.4Å; L41-Y44 HydrophobicContact CG-CD2 3.63Å; L41-Y44 HydrophobicContact CG-CE2 3.79Å; L41-L56 HydrophobicContact CB-CB 4.49Å; L41-L56 PolarHBondContact N-O 3.49Å; L41-L207 HydrophobicContact CD2-CD1 3.63Å; L41-D210 HydrophobicContact CD1-CB 3.94Å; L41-D210 HydrophobicContact CD2-CB 3.7Å; L41-D210 HydrophobicContact CG-CB 4.47Å; L41-I211 HydrophobicContact CD2-CG2 3.82Å
42	Q	93.5	Very high	73.1	Confident	105 Å²	105	80.3 Å²	80.3	49%	0.491	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60	146.7	-179.2	-69.4	-64.7	-25.6	0	0	110.9	G40 Y44 F55	G40-Q42 PolarHBondContact O-N 3.14Å; Q42-Y44 VanDerWaalsContact C-N 3.34Å; Q42-Y44 WeakPolarHBondContact O-CD2 3.37Å; Q42-F55 VanDerWaalsContact OE1-CE1 3.28Å
43	G	95.2	Very high	74.8	Confident	8 Å²	8	82.6 Å²	82.6	8%	0.082	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	86	0.3	-179.5	0	0	0	0	0	115.5	V171 T172	G43-V171 CarbonylContact O-C 3.55Å; G43-V171 WeakPolarHBondContact O-CA 3.48Å; G43-T172 WeakPolarHBondContact CA-OG1 3.37Å; G43-T172 PolarHBondContact O-N 3.24Å
44	Y	97.1	Very high	77.2	Confident	3 Å²	3	81.1 Å²	81.1	1%	0.012	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	96.7	174.8	-58.8	-87.3	0	0	0	110.3	L41 Q42 F55 L56 V136 M170 V171 K175 L207	L41-Y44 HydrophobicContact CB-CD2 4.26Å; L41-Y44 HydrophobicContact CD2-CD2 3.51Å; L41-Y44 HydrophobicContact CD2-CE2 3.4Å; L41-Y44 VanDerWaalsContact CD2-CE2 3.4Å; L41-Y44 HydrophobicContact CG-CD2 3.63Å; L41-Y44 HydrophobicContact CG-CE2 3.79Å; Q42-Y44 VanDerWaalsContact C-N 3.34Å; Q42-Y44 WeakPolarHBondContact O-CD2 3.37Å; Y44-F55 CarbonylContact O-C 3.57Å; Y44-F55 VanDerWaalsContact O-CA 3.3Å; Y44-F55 WeakPolarHBondContact O-CA 3.44Å; Y44-L56 HydrophobicContact CG-CB 4.47Å; Y44-L56 HydrophobicContact CG-CD2 4.32Å; Y44-L56 PolarHBondContact O-N 3.1Å; Y44-V136 HydrophobicContact CD1-CG1 3.66Å; Y44-V136 HydrophobicContact CD1-CG2 4.48Å; Y44-V136 HydrophobicContact CE1-CG1 3.93Å; Y44-M170 CarbonylContact C-O 3.53Å; Y44-M170 WeakPolarHBondContact CA-O 3.46Å; Y44-V171 HydrophobicContact CD1-CG2 4.06Å; Y44-V171 HydrophobicContact CE1-CG2 3.9Å; Y44-K175 HydrophobicContact CE2-CD 4.24Å; Y44-K175 HydrophobicContact CE2-CG 4.21Å; Y44-K175 WeakPolarHBondContact OH-CE 3.33Å; Y44-L207 HydrophobicContact CD1-CD1 4.38Å; Y44-L207 HydrophobicContact CD1-CD2 4.48Å; Y44-L207 HydrophobicContact CD2-CD1 4.44Å; Y44-L207 HydrophobicContact CE1-CB 4.35Å; Y44-L207 HydrophobicContact CE1-CD1 3.86Å; Y44-L207 HydrophobicContact CE1-CD2 3.94Å; Y44-L207 HydrophobicContact CE1-CG 4.27Å; Y44-L207 HydrophobicContact CE2-CD1 3.93Å
45	L	95.8	Very high	80	Confident	23 Å²	23	76.3 Å²	76.3	12%	0.12	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.9	-169.7	-163.1	66.4	0	0	0	111.9	R52 F55 Y169 M170 T172	L45-R52 WeakPolarHBondContact CD1-O 3.41Å; L45-R52 WeakPolarHBondContact CD2-O 3.44Å; L45-R52 WeakPolarHBondContact CG-O 3.37Å; L45-F55 HydrophobicContact CD1-CD1 4.12Å; L45-F55 HydrophobicContact CD1-CE1 3.81Å; L45-F55 HydrophobicContact CD1-CZ 4.34Å; L45-Y169 CarbonylContact O-C 3.57Å; L45-Y169 VanDerWaalsContact O-CA 3.22Å; L45-Y169 WeakPolarHBondContact O-CA 3.35Å; L45-M170 HydrophobicContact CB-CG 4.19Å; L45-M170 PolarHBondContact N-O 2.96Å; L45-M170 WeakPolarHBondContact O-CG 3.46Å; L45-M170 PolarHBondContact O-N 3.16Å; L45-T172 HydrophobicContact CB-CG2 4.01Å
46	R	96.4	Very high	82.7	Confident	54 Å²	54	72 Å²	72	20%	0.204	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	134.8	178.3	-160.9	177.7	179.4	-145.1	-6.9	111	Q54 I168 Y169	R46-Q54 HydrophobicContact CB-CB 3.91Å; R46-Q54 HydrophobicContact CB-CG 4.31Å; R46-Q54 VanDerWaalsContact CB-O 3.26Å; R46-Q54 WeakPolarHBondContact CB-O 3.26Å; R46-Q54 PolarHBondContact N-O 3.39Å; R46-I168 CarbonylContact C-O 3.57Å; R46-I168 WeakPolarHBondContact CA-O 3.04Å; R46-I168 WeakPolarHBondContact CG-O 3.03Å; R46-Y169 VanDerWaalsContact CA-CD1 3.48Å; R46-Y169 HydrophobicContact CB-CD1 3.82Å; R46-Y169 HydrophobicContact CB-CE1 3.59Å; R46-Y169 HydrophobicContact CG-CD1 4.29Å; R46-Y169 HydrophobicContact CG-CE1 3.97Å
47	I	95.8	Very high	85.1	Confident	5 Å²	5	70.4 Å²	70.4	3%	0.026	37%	0.365	C	S	.	.			trans	-91.3	108.4	168.1	-57.3	-176.2	0	0	0	107.3	F153 L156 M157 A160 I168 M170	I47-F153 HydrophobicContact CD1-CD2 4Å; I47-F153 HydrophobicContact CD1-CE2 4.03Å; I47-F153 HydrophobicContact CG1-CD2 4.48Å; I47-F153 HydrophobicContact CG1-CE2 4.01Å; I47-F153 HydrophobicContact CG2-CE2 4.33Å; I47-L156 HydrophobicContact CD1-CB 3.75Å; I47-L156 HydrophobicContact CD1-CD1 3.84Å; I47-L156 HydrophobicContact CD1-CG 4.45Å; I47-M157 HydrophobicContact CG2-CB 4.23Å; I47-M157 HydrophobicContact CG2-CE 3.71Å; I47-M157 HydrophobicContact CG2-SD 3.96Å; I47-A160 HydrophobicContact CG2-CB 4.14Å; I47-A160 WeakPolarHBondContact O-CB 3.39Å; I47-I168 HydrophobicContact CB-CB 4.49Å; I47-I168 HydrophobicContact CB-CG2 3.92Å; I47-I168 HydrophobicContact CD1-CG2 4Å; I47-I168 HydrophobicContact CG1-CG2 4.23Å; I47-I168 PolarHBondContact N-O 2.82Å; I47-M170 HydrophobicContact CD1-CB 4.03Å; I47-M170 HydrophobicContact CD1-CG 4.16Å; I47-M170 HydrophobicContact CG1-CB 4.27Å; I47-M170 HydrophobicContact CG1-CG 3.93Å; I47-M170 HydrophobicContact CG1-SD 4.44Å
48	T	93.3	Very high	87.4	Confident	32 Å²	32	67.1 Å²	67.1	20%	0.196	34%	0.343	C	S	.	.			trans	-149.3	151.4	176	-176.3	0	0	0	0	110	G50 R51	T48-G50 PolarHBondContact O-N 2.81Å; T48-R51 HydrophobicContact CG2-CB 4.1Å; T48-R51 WeakPolarHBondContact CG2-O 3.3Å
49	P	86.5	Confident	89.3	Confident	70 Å²	70	68 Å²	68	46%	0.455	34%	0.343	S	S	.	.	S	Bend	trans	-58.7	136.9	166.8	-23.4	34.8	0	0	0	111.1	R51 M157 T161	P49-R51 VanDerWaalsContact C-N 3.33Å; P49-R51 PolarHBondContact O-N 3Å; P49-R51 VanDerWaalsContact O-N 3.14Å; P49-M157 HydrophobicContact CG-SD 4.47Å; P49-T161 WeakPolarHBondContact CG-OG1 3.11Å
50	G	77.3	Confident	90.4	Very high	93 Å²	93	63 Å²	63	96%	0.959	32%	0.318	S	S	*	.	S	Bend	trans	79	-16.4	164.9	0	0	0	0	0	118.5	T48	T48-G50 PolarHBondContact O-N 2.81Å
51	R	73.4	Confident	90.8	Very high	166 Å²	166	71.9 Å²	71.9	63%	0.626	35%	0.351	S	S	*	.			trans	-132.4	122.9	179.6	-166.3	174.2	-175.8	169.7	3.2	111.6	T48 P49	T48-R51 HydrophobicContact CG2-CB 4.1Å; T48-R51 WeakPolarHBondContact CG2-O 3.3Å; P49-R51 VanDerWaalsContact C-N 3.33Å; P49-R51 PolarHBondContact O-N 3Å; P49-R51 VanDerWaalsContact O-N 3.14Å
52	R	67.9	Low	91	Very high	171 Å²	171	72.2 Å²	72.2	65%	0.645	35%	0.351	S	S	*	.			trans	-104.1	-5.6	-173.1	-70.1	-173.8	178.8	167.9	-0.1	115.5	L45	L45-R52 WeakPolarHBondContact CD1-O 3.41Å; L45-R52 WeakPolarHBondContact CD2-O 3.44Å; L45-R52 WeakPolarHBondContact CG-O 3.37Å
53	D	79	Confident	91.3	Very high	125 Å²	125	67.2 Å²	67.2	67%	0.668	33%	0.328	S	S	*	.			trans	-123.4	48	-170.7	-49.1	-55.3	0	0	0	113
54	Q	92.4	Very high	91.5	Very high	61 Å²	61	66.8 Å²	66.8	29%	0.285	32%	0.324	S	S	.	.			trans	-109.4	106.1	171.7	-173.7	168.9	33	0	0	109.8	R46	R46-Q54 HydrophobicContact CB-CB 3.91Å; R46-Q54 HydrophobicContact CB-CG 4.31Å; R46-Q54 VanDerWaalsContact CB-O 3.26Å; R46-Q54 WeakPolarHBondContact CB-O 3.26Å; R46-Q54 PolarHBondContact N-O 3.39Å
55	F	95.4	Very high	91.5	Very high	44 Å²	44	66.7 Å²	66.7	19%	0.193	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	154.8	174.9	-62.8	-69	0	0	0	112.1	I39 G40 Q42 Y44 L45 K57	I39-F55 HydrophobicContact CG2-CD2 4.28Å; G40-F55 VanDerWaalsContact C-CB 3.49Å; G40-F55 WeakPolarHBondContact O-CB 3.48Å; Q42-F55 VanDerWaalsContact OE1-CE1 3.28Å; Y44-F55 CarbonylContact O-C 3.57Å; Y44-F55 VanDerWaalsContact O-CA 3.3Å; Y44-F55 WeakPolarHBondContact O-CA 3.44Å; L45-F55 HydrophobicContact CD1-CD1 4.12Å; L45-F55 HydrophobicContact CD1-CE1 3.81Å; L45-F55 HydrophobicContact CD1-CZ 4.34Å; F55-K57 PolarHBondContact O-N 3.4Å
56	L	96.3	Very high	91.7	Very high	2 Å²	2	65.7 Å²	65.7	1%	0.01	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	125.7	176	176.4	62.6	0	0	0	110.5	G40 L41 Y44 M58 T134 V136 Y169 L207	G40-L56 CarbonylContact C-O 3.51Å; G40-L56 WeakPolarHBondContact CA-O 3.39Å; L41-L56 HydrophobicContact CB-CB 4.49Å; L41-L56 PolarHBondContact N-O 3.49Å; Y44-L56 HydrophobicContact CG-CB 4.47Å; Y44-L56 HydrophobicContact CG-CD2 4.32Å; Y44-L56 PolarHBondContact O-N 3.1Å; L56-M58 HydrophobicContact CD1-CB 4.11Å; L56-M58 HydrophobicContact CG-CB 4.23Å; L56-T134 HydrophobicContact CD1-CG2 3.89Å; L56-V136 HydrophobicContact CD2-CG2 4.23Å; L56-Y169 VanDerWaalsContact CA-CE1 3.49Å; L56-Y169 HydrophobicContact CB-CD1 4.07Å; L56-Y169 HydrophobicContact CB-CE1 4.01Å; L56-Y169 HydrophobicContact CD1-CD2 4.02Å; L56-Y169 HydrophobicContact CD1-CE1 4.36Å; L56-Y169 HydrophobicContact CD1-CE2 3.65Å; L56-Y169 HydrophobicContact CD1-CG 4.5Å; L56-L207 HydrophobicContact CD2-CD1 3.92Å
57	K	95.4	Very high	91.8	Very high	129 Å²	129	63.6 Å²	63.6	56%	0.561	31%	0.312	S	S	*	.			trans	-115.7	101	171.3	-61.1	-169.3	-170.8	-164.3	0	108.6	N38 F55	N38-K57 WeakPolarHBondContact O-CE 3.16Å; N38-K57 PolarHBondContact O-NZ 2.74Å; F55-K57 PolarHBondContact O-N 3.4Å
58	M	95.5	Very high	91.9	Very high	44 Å²	44	63.8 Å²	63.8	22%	0.217	31%	0.313	C	S	.	.			trans	-150.5	132.3	179.8	-173.4	163.7	-173.1	0	0	108.7	L56 C60 C86 L108 I211	L56-M58 HydrophobicContact CD1-CB 4.11Å; L56-M58 HydrophobicContact CG-CB 4.23Å; M58-C60 VanDerWaalsContact CE-SG 3.54Å; M58-C86 HydrophobicContact CE-CB 4.28Å; M58-L108 HydrophobicContact CE-CB 4.01Å; M58-L108 HydrophobicContact SD-CB 4.21Å; M58-L108 HydrophobicContact SD-CD1 4.49Å; M58-L108 HydrophobicContact SD-CD2 4.38Å; M58-I211 HydrophobicContact CG-CD1 4.23Å; M58-I211 HydrophobicContact SD-CD1 4.08Å
59	H	96.2	Very high	92.1	Very high	128 Å²	128	62.3 Å²	62.3	59%	0.593	30%	0.304	S	S	*	.			trans	-141.6	140.5	170	174.3	-98.3	0	0	0	107.9	I211 D213	H59-I211 CarbonylContact C-O 3.55Å; H59-I211 WeakPolarHBondContact CA-O 3.46Å; H59-D213 IonicContact CD2-OD1 3.53Å; H59-D213 IonicContact CE1-OD1 2.68Å; H59-D213 IonicContact CE1-OD2 3.59Å; H59-D213 IonicContact NE2-OD1 3.37Å; H59-D213 PolarHBondContact NE2-OD1 2.53Å; H59-D213 IonicContact NE2-OD2 3.53Å
60	C	96	Very high	92.6	Very high	7 Å²	7	59.1 Å²	59.1	5%	0.047	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-140.2	128.8	-174.9	-61.8	0	0	0	0	109.3	M58 Q62 C63 C86 I211 C212 D213	M58-C60 VanDerWaalsContact CE-SG 3.54Å; C60-Q62 PolarHBondContact O-N 3.32Å; C60-C63 WeakPolarHBondContact CB-SG 3.06Å; C60-C86 HydrophobicContact CB-CB 3.67Å; C60-C86 WeakPolarHBondContact CB-SG 3.01Å; C60-C86 WeakPolarHBondContact SG-CB 3.43Å; C60-C86 CovalentContact SG-SG 2.02Å; C60-C86 PolarHBondContact SG-SG 2.79Å; C60-I211 PolarHBondContact N-O 2.02Å; C60-C212 CarbonylContact O-C 3.54Å; C60-C212 WeakPolarHBondContact O-CA 3.36Å; C60-D213 PolarHBondContact O-N 3.2Å
61	R	95.9	Very high	93.5	Very high	191 Å²	191	55.8 Å²	55.8	72%	0.721	24%	0.244	S	C	*	.	S	Bend	trans	-64.9	-41.6	176.9	-164.6	-176.3	109.3	98.7	0.1	112.6	D213 S214	R61-D213 WeakPolarHBondContact CA-OD2 3.07Å; R61-D213 WeakPolarHBondContact O-CB 3.07Å; R61-S214 PolarHBondContact O-N 3.19Å; R61-S214 PolarHBondContact O-OG 2.81Å
62	Q	97.6	Very high	94.7	Very high	55 Å²	55	47.9 Å²	47.9	26%	0.257	21%	0.214	S	C	.	.	S	Bend	trans	-141.7	133.4	-179.5	-167.5	175.6	28.4	0	0	110	C60 M84 G85 C86 S214 H216	C60-Q62 PolarHBondContact O-N 3.32Å; Q62-M84 HydrophobicContact CB-SD 4.36Å; Q62-M84 HydrophobicContact CG-SD 3.5Å; Q62-M84 WeakPolarHBondContact CG-SD 3.3Å; Q62-M84 PolarHBondContact OE1-SD 2.7Å; Q62-G85 PolarHBondContact O-N 3.41Å; Q62-C86 PolarHBondContact O-N 2.97Å; Q62-C86 VanDerWaalsContact O-N 3.1Å; Q62-S214 WeakPolarHBondContact CA-O 3.31Å; Q62-H216 PolarHBondContact NE2-CE1 3.01Å; Q62-H216 PolarHBondContact NE2-NE2 2.84Å
63	C	98.8	Very high	96	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.1	-177.2	-66.4	0	0	0	0	111.1	C60 C86 I88 C212 S214 I215 H216	C60-C63 WeakPolarHBondContact CB-SG 3.06Å; C63-C86 CarbonylContact C-O 3.25Å; C63-C86 VanDerWaalsContact CA-O 3.29Å; C63-C86 WeakPolarHBondContact CA-O 3.42Å; C63-I88 HydrophobicContact CB-CD1 4.03Å; C63-I88 HydrophobicContact CB-CG1 4.47Å; C63-C212 HydrophobicContact CB-CB 3.83Å; C63-C212 WeakPolarHBondContact CB-SG 3.31Å; C63-C212 WeakPolarHBondContact SG-CB 3.36Å; C63-C212 CovalentContact SG-SG 2.03Å; C63-C212 PolarHBondContact SG-SG 3.2Å; C63-S214 PolarHBondContact N-O 3.21Å; C63-I215 WeakPolarHBondContact O-CA 3.26Å; C63-H216 PolarHBondContact O-N 3.23Å
64	A	98.9	Very high	96.9	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	115	157.7	0	0	0	0	0	109	V66 I81 M84 C86 V87 I88 H216 Y218	A64-V66 HydrophobicContact CB-CG2 4.3Å; A64-I81 HydrophobicContact CB-CG2 4.07Å; A64-M84 HydrophobicContact CB-CB 4.02Å; A64-M84 HydrophobicContact CB-CG 3.77Å; A64-C86 PolarHBondContact N-O 3.32Å; A64-V87 HydrophobicContact CB-CG1 4.43Å; A64-V87 HydrophobicContact CB-CG2 4.4Å; A64-V87 CarbonylContact O-C 3.58Å; A64-V87 WeakPolarHBondContact O-CA 3.29Å; A64-I88 PolarHBondContact O-N 2.99Å; A64-H216 CarbonylContact C-O 3.6Å; A64-H216 WeakPolarHBondContact CA-O 3.43Å; A64-Y218 HydrophobicContact CB-CD2 4.15Å; A64-Y218 HydrophobicContact CB-CE2 3.71Å
65	L	98.9	Very high	97.1	Very high	1 Å²	1	39 Å²	39	1%	0.005	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	105.5	167.2	-168.6	165.6	0	0	0	108	M90 T204 M205 A208 I215 H216 V217 Y218 M220	L65-M90 HydrophobicContact CD2-CE 3.93Å; L65-T204 HydrophobicContact CD1-CG2 3.87Å; L65-T204 HydrophobicContact CG-CG2 4.1Å; L65-M205 HydrophobicContact CD1-CE 4.11Å; L65-M205 HydrophobicContact CD1-SD 4.4Å; L65-A208 HydrophobicContact CD1-CB 4.24Å; L65-I215 HydrophobicContact CB-CG2 4.01Å; L65-I215 HydrophobicContact CD1-CG2 4.48Å; L65-H216 PolarHBondContact N-O 3.46Å; L65-V217 HydrophobicContact CB-CG2 4.44Å; L65-V217 HydrophobicContact CD2-CG1 4.34Å; L65-V217 WeakPolarHBondContact O-CA 3.42Å; L65-Y218 PolarHBondContact O-N 3.16Å; L65-M220 HydrophobicContact CD2-CE 4.46Å
66	V	98.9	Very high	97.2	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	113.2	-179.3	-170.3	0	0	0	0	109.5	A64 M72 I81 V87 I88 R89 V102 Y218	A64-V66 HydrophobicContact CB-CG2 4.3Å; V66-M72 HydrophobicContact CG1-CE 4.21Å; V66-I81 HydrophobicContact CG2-CD1 4Å; V66-I81 HydrophobicContact CG2-CG1 4.31Å; V66-I81 HydrophobicContact CG2-CG2 3.75Å; V66-V87 HydrophobicContact CG2-CG1 4.1Å; V66-I88 PolarHBondContact N-O 3.15Å; V66-R89 HydrophobicContact CB-CG 4.49Å; V66-V102 HydrophobicContact CG1-CB 4.23Å; V66-Y218 HydrophobicContact CG2-CD2 4.29Å
67	S	98.2	Very high	97.4	Very high	10 Å²	10	40.8 Å²	40.8	7%	0.07	21%	0.21	C	C	.	.			trans	-78.1	167.2	177	149.2	0	0	0	0	112.4	S69 Y218 G219	S67-S69 VanDerWaalsContact C-N 3.33Å; S67-S69 PolarHBondContact OG-N 3.07Å; S67-Y218 WeakPolarHBondContact CB-O 3.25Å; S67-Y218 PolarHBondContact N-O 3.17Å; S67-G219 WeakPolarHBondContact CB-O 3.37Å; S67-G219 PolarHBondContact OG-O 3.45Å
68	S	97.8	Very high	97.5	Very high	8 Å²	8	40.3 Å²	40.3	6%	0.056	21%	0.205	C	C	.	.			trans	-83.2	-4.6	178.1	-58.6	0	0	0	0	114.2	A93 H237 Y238	S68-A93 WeakPolarHBondContact OG-CB 3.16Å; S68-H237 VanDerWaalsContact CB-CD2 3.45Å; S68-H237 WeakPolarHBondContact CB-CD2 3.27Å; S68-H237 CarbonylContact O-C 3.06Å; S68-H237 WeakPolarHBondContact O-CA 3.34Å; S68-Y238 VanDerWaalsContact O-CD1 3.23Å; S68-Y238 WeakPolarHBondContact O-CD1 3.44Å; S68-Y238 PolarHBondContact O-N 3.4Å
69	S	97.6	Very high	97.6	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.014	23%	0.227	C	C	.	.			trans	-54.7	145.4	-172.6	173.8	0	0	0	0	113.9	S67 Q71 M72 G219 Y238 E246	S67-S69 VanDerWaalsContact C-N 3.33Å; S67-S69 PolarHBondContact OG-N 3.07Å; S69-Q71 PolarHBondContact O-N 2.96Å; S69-Q71 WeakPolarHBondContact OG-CB 3.4Å; S69-Q71 VanDerWaalsContact OG-CG 3.27Å; S69-Q71 WeakPolarHBondContact OG-CG 3.22Å; S69-Q71 PolarHBondContact OG-N 3.29Å; S69-M72 PolarHBondContact O-N 3.48Å; S69-G219 WeakPolarHBondContact CB-O 3.24Å; S69-Y238 WeakPolarHBondContact O-CB 3.33Å; S69-E246 VanDerWaalsContact CB-OE1 3.29Å; S69-E246 WeakPolarHBondContact CB-OE1 3.33Å; S69-E246 VanDerWaalsContact OG-CD 3.32Å; S69-E246 PolarHBondContact OG-OE1 2.93Å
70	G	97.3	Very high	97.7	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.021	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-61.5	-16.6	170.8	0	0	0	0	0	114.9	M72 Q73 P235	G70-M72 PolarHBondContact O-N 3.5Å; G70-Q73 WeakPolarHBondContact O-CB 3.26Å; G70-Q73 WeakPolarHBondContact O-CG 3.47Å; G70-Q73 PolarHBondContact O-N 2.81Å; G70-P235 WeakPolarHBondContact CA-O 3.42Å; G70-P235 PolarHBondContact N-O 2.82Å
71	Q	96.8	Very high	97.8	Very high	24 Å²	24	42 Å²	42	11%	0.112	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-58.6	-18.8	173.7	-60.2	-61.2	-22.2	0	0	112.9	S69 Q73 I221 A234 E246 H283	S69-Q71 PolarHBondContact O-N 2.96Å; S69-Q71 WeakPolarHBondContact OG-CB 3.4Å; S69-Q71 VanDerWaalsContact OG-CG 3.27Å; S69-Q71 WeakPolarHBondContact OG-CG 3.22Å; S69-Q71 PolarHBondContact OG-N 3.29Å; Q71-Q73 VanDerWaalsContact C-N 3.28Å; Q71-Q73 PolarHBondContact O-N 3.04Å; Q71-I221 HydrophobicContact CG-CG2 3.54Å; Q71-A234 HydrophobicContact CG-CB 4.45Å; Q71-E246 WeakPolarHBondContact CG-OE2 3.44Å; Q71-E246 PolarHBondContact NE2-OE2 3.06Å; Q71-H283 PolarHBondContact O-CD2 3.1Å; Q71-H283 PolarHBondContact O-NE2 3.29Å
72	M	97.9	Very high	97.9	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-72.1	-19.1	175.1	-66.7	-55.9	-61.9	0	0	113.5	V66 S69 G70 G74 A75 L77 I81 D101 V102 G219 Y238	V66-M72 HydrophobicContact CG1-CE 4.21Å; S69-M72 PolarHBondContact O-N 3.48Å; G70-M72 PolarHBondContact O-N 3.5Å; M72-G74 PolarHBondContact O-N 3.3Å; M72-A75 HydrophobicContact CE-CB 4.35Å; M72-A75 WeakPolarHBondContact O-CB 3.42Å; M72-A75 PolarHBondContact O-N 3.48Å; M72-A75 VanDerWaalsContact O-N 3.08Å; M72-L77 HydrophobicContact CE-CD1 4.22Å; M72-I81 HydrophobicContact CE-CD1 3.95Å; M72-D101 WeakPolarHBondContact CE-O 3.47Å; M72-D101 VanDerWaalsContact O-CB 3.25Å; M72-D101 WeakPolarHBondContact O-CB 3.42Å; M72-V102 HydrophobicContact CB-CG1 3.78Å; M72-V102 HydrophobicContact CE-CB 4.43Å; M72-V102 HydrophobicContact CE-CG1 3.96Å; M72-V102 HydrophobicContact CG-CG1 4.15Å; M72-G219 WeakPolarHBondContact SD-CA 3.16Å; M72-G219 PolarHBondContact SD-N 2.8Å; M72-Y238 HydrophobicContact CB-CD1 4.07Å; M72-Y238 HydrophobicContact CB-CG 4.32Å; M72-Y238 HydrophobicContact CG-CD1 4.31Å
73	Q	96.2	Very high	97.9	Very high	93 Å²	93	39 Å²	39	44%	0.435	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	124.3	-178.3	-68.5	-177.7	-24.4	0	0	111.2	G70 Q71 A75 Y238	G70-Q73 WeakPolarHBondContact O-CB 3.26Å; G70-Q73 WeakPolarHBondContact O-CG 3.47Å; G70-Q73 PolarHBondContact O-N 2.81Å; Q71-Q73 VanDerWaalsContact C-N 3.28Å; Q71-Q73 PolarHBondContact O-N 3.04Å; Q73-A75 PolarHBondContact O-N 3.49Å; Q73-Y238 PolarHBondContact NE2-O 3.27Å
74	G	96.4	Very high	97.8	Very high	57 Å²	57	39.6 Å²	39.6	59%	0.588	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.5	4.7	-178.1	0	0	0	0	0	114.9	M72 S76 D101	M72-G74 PolarHBondContact O-N 3.3Å; G74-S76 PolarHBondContact O-N 3.08Å; G74-D101 VanDerWaalsContact C-OD1 3.25Å; G74-D101 WeakPolarHBondContact CA-OD1 3.45Å; G74-D101 PolarHBondContact N-OD1 3.11Å; G74-D101 PolarHBondContact N-OD2 2.96Å
75	A	97.6	Very high	97.7	Very high	21 Å²	21	42 Å²	42	17%	0.174	23%	0.234	C	C	.	.			trans	-63.4	-26.7	-177.3	0	0	0	0	0	113.2	M72 Q73 L77 D101 H283	M72-A75 HydrophobicContact CE-CB 4.35Å; M72-A75 WeakPolarHBondContact O-CB 3.42Å; M72-A75 PolarHBondContact O-N 3.48Å; M72-A75 VanDerWaalsContact O-N 3.08Å; Q73-A75 PolarHBondContact O-N 3.49Å; A75-L77 VanDerWaalsContact C-N 3.25Å; A75-L77 HydrophobicContact CB-CD1 3.82Å; A75-L77 HydrophobicContact CB-CG 3.88Å; A75-L77 WeakPolarHBondContact O-CG 3.48Å; A75-L77 PolarHBondContact O-N 3.42Å; A75-D101 PolarHBondContact N-OD1 2.86Å; A75-D101 VanDerWaalsContact N-OD1 3.16Å; A75-H283 WeakPolarHBondContact CB-NE2 3.02Å
76	S	98.2	Very high	97.6	Very high	55 Å²	55	42.6 Å²	42.6	39%	0.385	24%	0.239	S	C	.	.			trans	54	35.1	-178.9	-58.9	0	0	0	0	114.7	G74 R100 D101	G74-S76 PolarHBondContact O-N 3.08Å; S76-R100 CarbonylContact C-O 3.28Å; S76-R100 VanDerWaalsContact C-O 3.25Å; S76-R100 VanDerWaalsContact CA-O 3.24Å; S76-R100 WeakPolarHBondContact CA-O 3.43Å; S76-R100 PolarHBondContact OG-NE 2.95Å; S76-R100 PolarHBondContact OG-NH2 3.5Å; S76-D101 PolarHBondContact N-OD1 2.57Å
77	L	98.5	Very high	97.6	Very high	28 Å²	28	42.5 Å²	42.5	15%	0.147	24%	0.238	C	C	.	.			trans	-93.9	13.4	-173	-64.7	172.7	0	0	0	114.7	M72 A75 E79 E80 I81 R100 D101 Y218 H283	M72-L77 HydrophobicContact CE-CD1 4.22Å; A75-L77 VanDerWaalsContact C-N 3.25Å; A75-L77 HydrophobicContact CB-CD1 3.82Å; A75-L77 HydrophobicContact CB-CG 3.88Å; A75-L77 WeakPolarHBondContact O-CG 3.48Å; A75-L77 PolarHBondContact O-N 3.42Å; L77-E79 VanDerWaalsContact C-N 3.33Å; L77-E79 PolarHBondContact O-N 3.3Å; L77-E80 PolarHBondContact O-N 3.44Å; L77-I81 HydrophobicContact CB-CD1 3.81Å; L77-I81 HydrophobicContact CB-CG1 4.21Å; L77-I81 WeakPolarHBondContact O-CG1 3.33Å; L77-I81 PolarHBondContact O-N 2.85Å; L77-R100 PolarHBondContact N-O 3.12Å; L77-D101 PolarHBondContact N-O 2.84Å; L77-Y218 HydrophobicContact CD1-CD1 3.74Å; L77-Y218 HydrophobicContact CD1-CE1 4.3Å; L77-H283 HydrophobicContact CD1-CB 3.5Å; L77-H283 VanDerWaalsContact CD1-CB 3.5Å
78	R	98.2	Very high	97.7	Very high	118 Å²	118	42.1 Å²	42.1	45%	0.445	24%	0.235	S	C	.	.	H	α-helix	trans	-46.5	-53.8	-178.8	178	168.4	179.6	177.4	-6.1	113.4	I81 D82 E99 R100	R78-I81 PolarHBondContact O-N 3.33Å; R78-D82 IonicContact NE-OD2 2.75Å; R78-D82 VanDerWaalsContact O-CB 3.3Å; R78-D82 WeakPolarHBondContact O-CB 3.07Å; R78-D82 PolarHBondContact O-N 3.23Å; R78-E99 VanDerWaalsContact CB-O 3.25Å; R78-E99 WeakPolarHBondContact CB-O 3.46Å; R78-E99 WeakPolarHBondContact CD-O 3.25Å; R78-E99 WeakPolarHBondContact CG-O 3.5Å; R78-R100 WeakPolarHBondContact CB-O 3.35Å; R78-R100 PolarHBondContact N-O 2.83Å; R78-R100 VanDerWaalsContact N-O 3.11Å
79	E	97.8	Very high	97.7	Very high	149 Å²	149	41.8 Å²	41.8	70%	0.696	23%	0.232	S	C	*	.	H	α-helix	trans	-64.1	-45.8	-171.8	-66.5	-177.5	-179.1	0	0	111.3	L77 Q83	L77-E79 VanDerWaalsContact C-N 3.33Å; L77-E79 PolarHBondContact O-N 3.3Å; E79-Q83 WeakPolarHBondContact O-CB 3.5Å; E79-Q83 WeakPolarHBondContact O-CG 3.41Å; E79-Q83 PolarHBondContact O-N 2.84Å; E79-Q83 VanDerWaalsContact O-N 3.16Å
80	E	98	Very high	97.8	Very high	67 Å²	67	42.1 Å²	42.1	31%	0.313	23%	0.234	S	C	.	.	H	α-helix	trans	-63.4	-45.7	177.9	-172.9	-179.5	171.2	0	0	111.6	L77 M84 Y218 K282	L77-E80 PolarHBondContact O-N 3.44Å; E80-M84 HydrophobicContact CG-CE 4.31Å; E80-Y218 VanDerWaalsContact CD-OH 3.3Å; E80-Y218 HydrophobicContact CG-CE1 4.5Å; E80-Y218 WeakPolarHBondContact CG-OH 3.48Å; E80-Y218 PolarHBondContact OE1-OH 3.06Å; E80-K282 WeakPolarHBondContact OE1-CE 3.5Å
81	I	98.7	Very high	97.8	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-66.3	-48.1	-178.6	-66.5	169.1	0	0	0	111	A64 V66 M72 L77 R78 Q83 M84 V87 Y218	A64-I81 HydrophobicContact CB-CG2 4.07Å; V66-I81 HydrophobicContact CG2-CD1 4Å; V66-I81 HydrophobicContact CG2-CG1 4.31Å; V66-I81 HydrophobicContact CG2-CG2 3.75Å; M72-I81 HydrophobicContact CE-CD1 3.95Å; L77-I81 HydrophobicContact CB-CD1 3.81Å; L77-I81 HydrophobicContact CB-CG1 4.21Å; L77-I81 WeakPolarHBondContact O-CG1 3.33Å; L77-I81 PolarHBondContact O-N 2.85Å; R78-I81 PolarHBondContact O-N 3.33Å; I81-Q83 PolarHBondContact O-N 3.19Å; I81-M84 WeakPolarHBondContact O-CB 3.2Å; I81-M84 PolarHBondContact O-N 3Å; I81-V87 HydrophobicContact CG2-CG1 3.92Å; I81-V87 HydrophobicContact CG2-CG2 4.17Å; I81-V87 WeakPolarHBondContact O-CG2 3.11Å; I81-Y218 HydrophobicContact CD1-CG 4.33Å; I81-Y218 HydrophobicContact CG1-CD1 4.42Å; I81-Y218 HydrophobicContact CG1-CD2 4.11Å; I81-Y218 HydrophobicContact CG1-CE1 4.38Å; I81-Y218 HydrophobicContact CG1-CE2 4.08Å; I81-Y218 HydrophobicContact CG1-CG 4.27Å
82	D	98.2	Very high	97.9	Very high	26 Å²	26	43.6 Å²	43.6	14%	0.139	24%	0.242	C	C	.	.	H	α-helix	trans	-75	-12.3	-174.4	-74.6	-22.1	0	0	0	112.7	R78 S104 R105	R78-D82 IonicContact NE-OD2 2.75Å; R78-D82 VanDerWaalsContact O-CB 3.3Å; R78-D82 WeakPolarHBondContact O-CB 3.07Å; R78-D82 PolarHBondContact O-N 3.23Å; D82-S104 PolarHBondContact OD1-N 3.37Å; D82-S104 PolarHBondContact OD2-N 3.38Å; D82-S104 PolarHBondContact OD2-OG 2.79Å; D82-R105 HydrophobicContact CB-CG 4.36Å; D82-R105 WeakPolarHBondContact O-CD 3.2Å; D82-R105 PolarHBondContact O-NH1 2.95Å; D82-R105 WeakPolarHBondContact OD1-CB 3.47Å; D82-R105 PolarHBondContact OD1-N 2.86Å
83	Q	97.1	Very high	97.9	Very high	155 Å²	155	43.7 Å²	43.7	72%	0.724	24%	0.243	S	C	*	.	H	α-helix	trans	-80.7	-16.4	171.2	-76.7	171.6	15.5	0	0	113.5	E79 I81	E79-Q83 WeakPolarHBondContact O-CB 3.5Å; E79-Q83 WeakPolarHBondContact O-CG 3.41Å; E79-Q83 PolarHBondContact O-N 2.84Å; E79-Q83 VanDerWaalsContact O-N 3.16Å; I81-Q83 PolarHBondContact O-N 3.19Å
84	M	97.2	Very high	98	Very high	13 Å²	13	40.4 Å²	40.4	6%	0.064	23%	0.23	C	C	.	.	S	Bend	trans	-66.3	149.8	-179.7	-64.9	-62.5	175.1	0	0	112.2	Q62 A64 E80 I81 C86 R105 H216	Q62-M84 HydrophobicContact CB-SD 4.36Å; Q62-M84 HydrophobicContact CG-SD 3.5Å; Q62-M84 WeakPolarHBondContact CG-SD 3.3Å; Q62-M84 PolarHBondContact OE1-SD 2.7Å; A64-M84 HydrophobicContact CB-CB 4.02Å; A64-M84 HydrophobicContact CB-CG 3.77Å; E80-M84 HydrophobicContact CG-CE 4.31Å; I81-M84 WeakPolarHBondContact O-CB 3.2Å; I81-M84 PolarHBondContact O-N 3Å; M84-C86 VanDerWaalsContact C-N 3.32Å; M84-C86 PolarHBondContact O-N 2.59Å; M84-R105 PolarHBondContact O-NH1 2.8Å; M84-H216 HydrophobicContact CE-CB 4.35Å; M84-H216 WeakPolarHBondContact CE-ND1 3.44Å
85	G	95.5	Very high	98	Very high	50 Å²	50	38.3 Å²	38.3	52%	0.515	21%	0.205	S	C	.	.	S	Bend	trans	-58.1	-45.5	178.6	0	0	0	0	0	111.9	Q62	Q62-G85 PolarHBondContact O-N 3.41Å
86	C	98.5	Very high	98	Very high	15 Å²	15	42.9 Å²	42.9	10%	0.101	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	141.2	175.4	-65	0	0	0	0	111.8	M58 C60 Q62 C63 A64 M84 S107	M58-C86 HydrophobicContact CE-CB 4.28Å; C60-C86 HydrophobicContact CB-CB 3.67Å; C60-C86 WeakPolarHBondContact CB-SG 3.01Å; C60-C86 WeakPolarHBondContact SG-CB 3.43Å; C60-C86 CovalentContact SG-SG 2.02Å; C60-C86 PolarHBondContact SG-SG 2.79Å; Q62-C86 PolarHBondContact O-N 2.97Å; Q62-C86 VanDerWaalsContact O-N 3.1Å; C63-C86 CarbonylContact C-O 3.25Å; C63-C86 VanDerWaalsContact CA-O 3.29Å; C63-C86 WeakPolarHBondContact CA-O 3.42Å; A64-C86 PolarHBondContact N-O 3.32Å; M84-C86 VanDerWaalsContact C-N 3.32Å; M84-C86 PolarHBondContact O-N 2.59Å; C86-S107 WeakPolarHBondContact CA-OG 3.33Å
87	V	98.9	Very high	98	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	117.5	173.1	-174.6	0	0	0	0	109.3	A64 V66 I81 R89 R105 S107 L108	A64-V87 HydrophobicContact CB-CG1 4.43Å; A64-V87 HydrophobicContact CB-CG2 4.4Å; A64-V87 CarbonylContact O-C 3.58Å; A64-V87 WeakPolarHBondContact O-CA 3.29Å; V66-V87 HydrophobicContact CG2-CG1 4.1Å; I81-V87 HydrophobicContact CG2-CG1 3.92Å; I81-V87 HydrophobicContact CG2-CG2 4.17Å; I81-V87 WeakPolarHBondContact O-CG2 3.11Å; V87-R89 HydrophobicContact CG1-CG 4.29Å; V87-R105 WeakPolarHBondContact CG1-O 3.35Å; V87-R105 HydrophobicContact CG2-CB 4.11Å; V87-S107 PolarHBondContact N-OG 2.81Å; V87-S107 PolarHBondContact O-N 2.76Å; V87-L108 PolarHBondContact O-N 3.3Å; V87-L108 VanDerWaalsContact O-N 3.12Å
88	I	98.9	Very high	98	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.005	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	125.7	-179.3	-50.1	178.1	0	0	0	108.6	C63 A64 V66 L108 V110 T204 A208 I211	C63-I88 HydrophobicContact CB-CD1 4.03Å; C63-I88 HydrophobicContact CB-CG1 4.47Å; A64-I88 PolarHBondContact O-N 2.99Å; V66-I88 PolarHBondContact N-O 3.15Å; I88-L108 CarbonylContact C-O 3.49Å; I88-L108 VanDerWaalsContact CA-O 3.31Å; I88-L108 WeakPolarHBondContact CA-O 3.44Å; I88-L108 HydrophobicContact CD1-CD2 4.28Å; I88-L108 HydrophobicContact CG1-CB 4.29Å; I88-L108 HydrophobicContact CG1-CD2 4.23Å; I88-L108 HydrophobicContact CG2-CB 4.41Å; I88-L108 HydrophobicContact CG2-CD2 4.07Å; I88-L108 HydrophobicContact CG2-CG 4.23Å; I88-V110 HydrophobicContact CG2-CG2 4.46Å; I88-T204 HydrophobicContact CG2-CG2 3.53Å; I88-A208 HydrophobicContact CD1-CB 3.77Å; I88-I211 HydrophobicContact CD1-CD1 4.34Å
89	R	98.9	Very high	98	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	168	177.2	-60.4	-171.3	-170.2	-88.9	-1.4	111.4	V66 V87 T95 V102 G103 R105 T106 L108 R109 V110	V66-R89 HydrophobicContact CB-CG 4.49Å; V87-R89 HydrophobicContact CG1-CG 4.29Å; R89-T95 VanDerWaalsContact NE-CG2 3.31Å; R89-V102 PolarHBondContact NH1-O 2.92Å; R89-V102 PolarHBondContact NH2-O 2.95Å; R89-G103 PolarHBondContact NH2-O 3.22Å; R89-R105 PolarHBondContact NE-O 3.14Å; R89-R105 PolarHBondContact NH2-O 3.46Å; R89-T106 HydrophobicContact CB-CG2 4.15Å; R89-T106 VanDerWaalsContact CD-OG1 3.24Å; R89-T106 WeakPolarHBondContact CD-OG1 3.49Å; R89-T106 HydrophobicContact CG-CG2 4.08Å; R89-T106 PolarHBondContact NE-OG1 2.89Å; R89-T106 VanDerWaalsContact NE-OG1 3.14Å; R89-L108 PolarHBondContact N-O 2.79Å; R89-R109 CarbonylContact O-C 3.53Å; R89-R109 VanDerWaalsContact O-CA 3.27Å; R89-R109 WeakPolarHBondContact O-CA 3.35Å; R89-V110 PolarHBondContact O-N 3.03Å
90	M	98.7	Very high	98	Very high	10 Å²	10	43.8 Å²	43.8	5%	0.049	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	147.6	-176.6	-66.3	177.3	-79.7	0	0	112.9	L65 A93 R109 V110 T200 G201 T204	L65-M90 HydrophobicContact CD2-CE 3.93Å; M90-A93 WeakPolarHBondContact O-CB 3.34Å; M90-A93 PolarHBondContact O-N 3.01Å; M90-R109 PolarHBondContact O-NH1 2.86Å; M90-V110 CarbonylContact C-O 3.47Å; M90-V110 VanDerWaalsContact CA-O 3.25Å; M90-V110 WeakPolarHBondContact CA-O 3.47Å; M90-T200 HydrophobicContact CB-CG2 4.08Å; M90-T200 HydrophobicContact CG-CG2 4.03Å; M90-T200 HydrophobicContact SD-CG2 4.21Å; M90-G201 VanDerWaalsContact SD-CA 3.57Å; M90-T204 HydrophobicContact CG-CG2 4.04Å; M90-T204 WeakPolarHBondContact CG-OG1 3.44Å; M90-T204 HydrophobicContact SD-CG2 4.11Å; M90-T204 PolarHBondContact SD-OG1 2.75Å; M90-T204 VanDerWaalsContact SD-OG1 3.38Å
91	N	98.6	Very high	98.1	Very high	28 Å²	28	41.7 Å²	41.7	15%	0.15	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	50	-138.1	168.8	-64.2	-36	0	0	0	112.7	R109 V110 S112 S115 T200	N91-R109 WeakPolarHBondContact O-CD 3.27Å; N91-R109 PolarHBondContact O-NH1 3.36Å; N91-V110 PolarHBondContact N-O 3.13Å; N91-S112 PolarHBondContact OD1-N 3.31Å; N91-S115 WeakPolarHBondContact CB-OG 3.46Å; N91-T200 PolarHBondContact ND2-OG1 3.19Å; N91-T200 PolarHBondContact OD1-OG1 2.93Å
92	N	98.1	Very high	98.1	Very high	28 Å²	28	41.7 Å²	41.7	15%	0.15	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.2	23	-178.7	65.2	-76.1	0	0	0	113.5	P94 L118 L119 Y126	N92-P94 VanDerWaalsContact O-CD 3.27Å; N92-P94 WeakPolarHBondContact O-CD 3.48Å; N92-L118 HydrophobicContact CB-CB 4.07Å; N92-L118 HydrophobicContact CB-CD1 4.29Å; N92-L118 WeakPolarHBondContact OD1-CD1 3.47Å; N92-L119 HydrophobicContact CB-CD1 3.87Å; N92-Y126 VanDerWaalsContact C-OH 3.23Å; N92-Y126 VanDerWaalsContact CA-OH 3.29Å; N92-Y126 WeakPolarHBondContact CA-OH 3.34Å; N92-Y126 PolarHBondContact O-OH 2.94Å
93	A	98.3	Very high	98.1	Very high	2 Å²	2	40.5 Å²	40.5	2%	0.017	22%	0.22	C	C	.	.			trans	-66.6	113	178.5	0	0	0	0	0	110.1	S68 M90 R109 Y238 Y239	S68-A93 WeakPolarHBondContact OG-CB 3.16Å; M90-A93 WeakPolarHBondContact O-CB 3.34Å; M90-A93 PolarHBondContact O-N 3.01Å; A93-R109 VanDerWaalsContact O-CZ 3.28Å; A93-R109 PolarHBondContact O-NH1 3.25Å; A93-R109 PolarHBondContact O-NH2 2.72Å; A93-Y238 HydrophobicContact CB-CE1 4.23Å; A93-Y238 WeakPolarHBondContact CB-OH 3.46Å; A93-Y239 VanDerWaalsContact CA-CE1 3.5Å; A93-Y239 HydrophobicContact CB-CD1 4.2Å; A93-Y239 HydrophobicContact CB-CE1 3.63Å
94	P	97.3	Very high	98.1	Very high	25 Å²	25	35.5 Å²	35.5	16%	0.162	20%	0.202	C	C	.	.			trans	-79.1	154.4	-175.8	33.7	-32.9	0	0	0	111	N92 Y98 Y238 Y239	N92-P94 VanDerWaalsContact O-CD 3.27Å; N92-P94 WeakPolarHBondContact O-CD 3.48Å; P94-Y98 HydrophobicContact CG-CD2 4.02Å; P94-Y98 HydrophobicContact CG-CE2 3.97Å; P94-Y238 HydrophobicContact CG-CE2 4.49Å; P94-Y238 VanDerWaalsContact O-CE2 3.3Å; P94-Y238 WeakPolarHBondContact O-CE2 3.32Å; P94-Y238 PolarHBondContact O-OH 2.86Å; P94-Y239 VanDerWaalsContact CD-CD1 3.43Å; P94-Y239 HydrophobicContact CG-CD1 4.4Å; P94-Y239 HydrophobicContact CG-CD2 4.33Å; P94-Y239 HydrophobicContact CG-CG 3.87Å
95	T	98.1	Very high	98.1	Very high	12 Å²	12	39.7 Å²	39.7	7%	0.074	22%	0.217	C	C	.	.			trans	-98.4	-33.2	164.2	53	0	0	0	0	110.8	R89 G97 Y98 E99 V102 G103 Y125	R89-T95 VanDerWaalsContact NE-CG2 3.31Å; T95-G97 PolarHBondContact O-N 2.03Å; T95-Y98 CarbonylContact O-C 3.53Å; T95-Y98 WeakPolarHBondContact O-CA 3.22Å; T95-Y98 PolarHBondContact O-N 3.03Å; T95-E99 VanDerWaalsContact O-CD 3.28Å; T95-E99 WeakPolarHBondContact O-CG 3.24Å; T95-E99 PolarHBondContact O-N 3.42Å; T95-E99 VanDerWaalsContact O-N 3.14Å; T95-V102 HydrophobicContact CG2-CG2 4.31Å; T95-G103 WeakPolarHBondContact CB-O 3.4Å; T95-G103 WeakPolarHBondContact CG2-O 3.45Å; T95-Y125 PolarHBondContact N-OH 2.85Å; T95-Y125 PolarHBondContact OG1-OH 3.35Å
96	L	97.1	Very high	98.3	Very high	118 Å²	118	38.4 Å²	38.4	62%	0.618	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.4	122.2	179.3	-174.4	66.5	0	0	0	111.7	Y98 E99 Y125	L96-Y98 VanDerWaalsContact C-N 3.3Å; L96-Y98 WeakPolarHBondContact O-CD2 3.34Å; L96-E99 WeakPolarHBondContact CA-OE1 3.24Å; L96-Y125 HydrophobicContact CB-CE2 4.01Å
97	G	97.1	Very high	98.3	Very high	63 Å²	63	38.9 Å²	38.9	65%	0.649	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	84.9	-3.1	-176.7	0	0	0	0	0	114.7	T95 E99	T95-G97 PolarHBondContact O-N 2.03Å; G97-E99 WeakPolarHBondContact CA-OE2 3.4Å; G97-E99 PolarHBondContact N-OE1 2.89Å; G97-E99 PolarHBondContact N-OE2 2.76Å
98	Y	98.3	Very high	98.3	Very high	72 Å²	72	38.9 Å²	38.9	28%	0.282	20%	0.203	S	C	.	.			trans	-128.3	9.8	-179.6	-59.2	-85.1	0	0	0	112.1	P94 T95 L96 R100 D101 V102 Y238 Y239	P94-Y98 HydrophobicContact CG-CD2 4.02Å; P94-Y98 HydrophobicContact CG-CE2 3.97Å; T95-Y98 CarbonylContact O-C 3.53Å; T95-Y98 WeakPolarHBondContact O-CA 3.22Å; T95-Y98 PolarHBondContact O-N 3.03Å; L96-Y98 VanDerWaalsContact C-N 3.3Å; L96-Y98 WeakPolarHBondContact O-CD2 3.34Å; Y98-R100 PolarHBondContact O-N 2.81Å; Y98-R100 VanDerWaalsContact O-N 3.13Å; Y98-D101 PolarHBondContact O-N 2.79Å; Y98-V102 WeakPolarHBondContact O-CG2 3.45Å; Y98-V102 PolarHBondContact O-N 3.01Å; Y98-Y238 AromaticContact CD1-CD2 3.72Å; Y98-Y238 HydrophobicContact CD1-CD2 3.72Å; Y98-Y238 HydrophobicContact CD1-CE2 4.23Å; Y98-Y238 HydrophobicContact CD2-CD2 4.31Å; Y98-Y238 HydrophobicContact CD2-CE2 4.07Å; Y98-Y238 HydrophobicContact CE1-CD2 4.15Å; Y98-Y238 VanDerWaalsContact CE1-O 3.22Å; Y98-Y238 WeakPolarHBondContact CE1-O 3.27Å; Y98-Y238 AromaticContact CG-CD2 3.81Å; Y98-Y238 HydrophobicContact CG-CD2 3.81Å; Y98-Y238 AromaticContact CG-CE2 3.84Å; Y98-Y238 HydrophobicContact CG-CE2 3.84Å; Y98-Y239 WeakPolarHBondContact OH-CA 3.47Å
99	E	98.5	Very high	98.3	Very high	54 Å²	54	39 Å²	39	25%	0.252	20%	0.203	S	C	.	.	H	α-helix	trans	-58.8	-35.5	-167.5	-63.3	88.1	158	0	0	112.5	R78 T95 L96 G97 D101 G103	R78-E99 VanDerWaalsContact CB-O 3.25Å; R78-E99 WeakPolarHBondContact CB-O 3.46Å; R78-E99 WeakPolarHBondContact CD-O 3.25Å; R78-E99 WeakPolarHBondContact CG-O 3.5Å; T95-E99 VanDerWaalsContact O-CD 3.28Å; T95-E99 WeakPolarHBondContact O-CG 3.24Å; T95-E99 PolarHBondContact O-N 3.42Å; T95-E99 VanDerWaalsContact O-N 3.14Å; L96-E99 WeakPolarHBondContact CA-OE1 3.24Å; G97-E99 WeakPolarHBondContact CA-OE2 3.4Å; G97-E99 PolarHBondContact N-OE1 2.89Å; G97-E99 PolarHBondContact N-OE2 2.76Å; E99-D101 PolarHBondContact O-N 3.26Å; E99-G103 VanDerWaalsContact O-CA 3.24Å; E99-G103 WeakPolarHBondContact O-CA 3.38Å; E99-G103 PolarHBondContact O-N 2.7Å
100	R	98.6	Very high	98.3	Very high	179 Å²	179	39 Å²	39	68%	0.675	20%	0.204	S	C	*	.	H	α-helix	trans	-55.6	-40.1	176.8	178.3	178.4	173.1	178.1	0.9	111.6	S76 L77 R78 Y98	S76-R100 CarbonylContact C-O 3.28Å; S76-R100 VanDerWaalsContact C-O 3.25Å; S76-R100 VanDerWaalsContact CA-O 3.24Å; S76-R100 WeakPolarHBondContact CA-O 3.43Å; S76-R100 PolarHBondContact OG-NE 2.95Å; S76-R100 PolarHBondContact OG-NH2 3.5Å; L77-R100 PolarHBondContact N-O 3.12Å; R78-R100 WeakPolarHBondContact CB-O 3.35Å; R78-R100 PolarHBondContact N-O 2.83Å; R78-R100 VanDerWaalsContact N-O 3.11Å; Y98-R100 PolarHBondContact O-N 2.81Å; Y98-R100 VanDerWaalsContact O-N 3.13Å
101	D	98.7	Very high	98.3	Very high	24 Å²	24	38.6 Å²	38.6	13%	0.128	20%	0.202	C	C	.	.	H	α-helix	trans	-93.2	-42.6	-172.1	-72.7	-23.4	0	0	0	112.2	M72 G74 A75 S76 L77 Y98 E99	M72-D101 WeakPolarHBondContact CE-O 3.47Å; M72-D101 VanDerWaalsContact O-CB 3.25Å; M72-D101 WeakPolarHBondContact O-CB 3.42Å; G74-D101 VanDerWaalsContact C-OD1 3.25Å; G74-D101 WeakPolarHBondContact CA-OD1 3.45Å; G74-D101 PolarHBondContact N-OD1 3.11Å; G74-D101 PolarHBondContact N-OD2 2.96Å; A75-D101 PolarHBondContact N-OD1 2.86Å; A75-D101 VanDerWaalsContact N-OD1 3.16Å; S76-D101 PolarHBondContact N-OD1 2.57Å; L77-D101 PolarHBondContact N-O 2.84Å; Y98-D101 PolarHBondContact O-N 2.79Å; E99-D101 PolarHBondContact O-N 3.26Å
102	V	98.7	Very high	98.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-109.4	-1.7	-170.5	-54	0	0	0	0	114.1	V66 M72 R89 T95 Y98 Y238	V66-V102 HydrophobicContact CG1-CB 4.23Å; M72-V102 HydrophobicContact CB-CG1 3.78Å; M72-V102 HydrophobicContact CE-CB 4.43Å; M72-V102 HydrophobicContact CE-CG1 3.96Å; M72-V102 HydrophobicContact CG-CG1 4.15Å; R89-V102 PolarHBondContact NH1-O 2.92Å; R89-V102 PolarHBondContact NH2-O 2.95Å; T95-V102 HydrophobicContact CG2-CG2 4.31Å; Y98-V102 WeakPolarHBondContact O-CG2 3.45Å; Y98-V102 PolarHBondContact O-N 3.01Å; V102-Y238 HydrophobicContact CG1-CD1 4.16Å; V102-Y238 HydrophobicContact CG1-CD2 4.3Å; V102-Y238 HydrophobicContact CG1-CE1 3.96Å; V102-Y238 HydrophobicContact CG1-CE2 4.11Å; V102-Y238 HydrophobicContact CG1-CG 4.34Å; V102-Y238 HydrophobicContact CG2-CE2 4.38Å
103	G	98.5	Very high	98.2	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.196	C	C	.	.			trans	77.4	169.5	-171.8	0	0	0	0	0	113.5	R89 T95 E99	R89-G103 PolarHBondContact NH2-O 3.22Å; T95-G103 WeakPolarHBondContact CB-O 3.4Å; T95-G103 WeakPolarHBondContact CG2-O 3.45Å; E99-G103 VanDerWaalsContact O-CA 3.24Å; E99-G103 WeakPolarHBondContact O-CA 3.38Å; E99-G103 PolarHBondContact O-N 2.7Å
104	S	97.7	Very high	98.2	Very high	50 Å²	50	42.1 Å²	42.1	35%	0.35	22%	0.223	S	C	.	.	S	Bend	trans	-105.1	-22.2	179.8	70.8	0	0	0	0	113.6	D82	D82-S104 PolarHBondContact OD1-N 3.37Å; D82-S104 PolarHBondContact OD2-N 3.38Å; D82-S104 PolarHBondContact OD2-OG 2.79Å
105	R	97.4	Very high	98.2	Very high	102 Å²	102	41.4 Å²	41.4	39%	0.385	22%	0.219	S	C	.	.			trans	-80.6	148.3	-174	-65.3	176.7	67.1	-141.7	-6.4	112.3	D82 M84 V87 R89	D82-R105 HydrophobicContact CB-CG 4.36Å; D82-R105 WeakPolarHBondContact O-CD 3.2Å; D82-R105 PolarHBondContact O-NH1 2.95Å; D82-R105 WeakPolarHBondContact OD1-CB 3.47Å; D82-R105 PolarHBondContact OD1-N 2.86Å; M84-R105 PolarHBondContact O-NH1 2.8Å; V87-R105 WeakPolarHBondContact CG1-O 3.35Å; V87-R105 HydrophobicContact CG2-CB 4.11Å; R89-R105 PolarHBondContact NE-O 3.14Å; R89-R105 PolarHBondContact NH2-O 3.46Å
106	T	98.7	Very high	98.2	Very high	23 Å²	23	41 Å²	41	14%	0.141	22%	0.216	C	C	.	.			trans	-143.4	117.9	167.9	-52.1	0	0	0	0	109.1	R89 R109 T133	R89-T106 HydrophobicContact CB-CG2 4.15Å; R89-T106 VanDerWaalsContact CD-OG1 3.24Å; R89-T106 WeakPolarHBondContact CD-OG1 3.49Å; R89-T106 HydrophobicContact CG-CG2 4.08Å; R89-T106 PolarHBondContact NE-OG1 2.89Å; R89-T106 VanDerWaalsContact NE-OG1 3.14Å; T106-R109 HydrophobicContact CG2-CB 4.24Å; T106-T133 HydrophobicContact CG2-CG2 3.75Å; T106-T133 PolarHBondContact O-OG1 3.39Å; T106-T133 VanDerWaalsContact O-OG1 3.04Å
107	S	98.7	Very high	98.3	Very high	25 Å²	25	39.4 Å²	39.4	18%	0.175	21%	0.213	C	C	.	.	S	Bend	trans	-93.1	-42.6	175.3	-50.5	0	0	0	0	111.1	C86 V87 T134	C86-S107 WeakPolarHBondContact CA-OG 3.33Å; V87-S107 PolarHBondContact N-OG 2.81Å; V87-S107 PolarHBondContact O-N 2.76Å; S107-T134 PolarHBondContact O-N 2.9Å
108	L	98.9	Very high	98.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	136.9	-178	175.3	65.2	0	0	0	109.8	M58 V87 I88 R89 V110 T134 V136 L207 I211	M58-L108 HydrophobicContact CE-CB 4.01Å; M58-L108 HydrophobicContact SD-CB 4.21Å; M58-L108 HydrophobicContact SD-CD1 4.49Å; M58-L108 HydrophobicContact SD-CD2 4.38Å; V87-L108 PolarHBondContact O-N 3.3Å; V87-L108 VanDerWaalsContact O-N 3.12Å; I88-L108 CarbonylContact C-O 3.49Å; I88-L108 VanDerWaalsContact CA-O 3.31Å; I88-L108 WeakPolarHBondContact CA-O 3.44Å; I88-L108 HydrophobicContact CD1-CD2 4.28Å; I88-L108 HydrophobicContact CG1-CB 4.29Å; I88-L108 HydrophobicContact CG1-CD2 4.23Å; I88-L108 HydrophobicContact CG2-CB 4.41Å; I88-L108 HydrophobicContact CG2-CD2 4.07Å; I88-L108 HydrophobicContact CG2-CG 4.23Å; R89-L108 PolarHBondContact N-O 2.79Å; L108-V110 HydrophobicContact CD2-CG2 4.48Å; L108-V110 HydrophobicContact CG-CG2 4.39Å; L108-T134 CarbonylContact C-O 3.51Å; L108-T134 VanDerWaalsContact CA-O 3.32Å; L108-T134 WeakPolarHBondContact CA-O 3.35Å; L108-T134 HydrophobicContact CD1-CG2 4.05Å; L108-V136 HydrophobicContact CD1-CB 4.46Å; L108-V136 HydrophobicContact CD1-CG2 3.75Å; L108-L207 HydrophobicContact CD1-CD2 4.46Å; L108-L207 HydrophobicContact CD2-CD2 3.77Å; L108-L207 HydrophobicContact CD2-CG 4.15Å; L108-I211 HydrophobicContact CD2-CD1 3.49Å; L108-I211 VanDerWaalsContact CD2-CD1 3.49Å
109	R	98.9	Very high	98.3	Very high	3 Å²	3	37 Å²	37	1%	0.011	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	118.7	172.9	-170.9	172.9	-79.1	-98.5	1	111.4	R89 M90 N91 A93 T106 V111 T133 T134 Y135 V136	R89-R109 CarbonylContact O-C 3.53Å; R89-R109 VanDerWaalsContact O-CA 3.27Å; R89-R109 WeakPolarHBondContact O-CA 3.35Å; M90-R109 PolarHBondContact O-NH1 2.86Å; N91-R109 WeakPolarHBondContact O-CD 3.27Å; N91-R109 PolarHBondContact O-NH1 3.36Å; A93-R109 VanDerWaalsContact O-CZ 3.28Å; A93-R109 PolarHBondContact O-NH1 3.25Å; A93-R109 PolarHBondContact O-NH2 2.72Å; T106-R109 HydrophobicContact CG2-CB 4.24Å; R109-V111 HydrophobicContact CG-CG2 3.78Å; R109-T133 HydrophobicContact CB-CG2 3.84Å; R109-T134 PolarHBondContact N-O 2.81Å; R109-Y135 HydrophobicContact CB-CD1 4.01Å; R109-Y135 HydrophobicContact CB-CE1 4.06Å; R109-Y135 HydrophobicContact CG-CD1 4.41Å; R109-Y135 HydrophobicContact CG-CE1 4.32Å; R109-Y135 WeakPolarHBondContact O-CA 3.28Å; R109-V136 PolarHBondContact O-N 3.05Å
110	V	98.9	Very high	98.3	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.1	177.4	-172.5	0	0	0	0	109.3	I88 R89 M90 N91 L108 V136 T200 T204 L207	I88-V110 HydrophobicContact CG2-CG2 4.46Å; R89-V110 PolarHBondContact O-N 3.03Å; M90-V110 CarbonylContact C-O 3.47Å; M90-V110 VanDerWaalsContact CA-O 3.25Å; M90-V110 WeakPolarHBondContact CA-O 3.47Å; N91-V110 PolarHBondContact N-O 3.13Å; L108-V110 HydrophobicContact CD2-CG2 4.48Å; L108-V110 HydrophobicContact CG-CG2 4.39Å; V110-V136 CarbonylContact C-O 3.58Å; V110-V136 VanDerWaalsContact CA-O 3.31Å; V110-V136 WeakPolarHBondContact CA-O 3.27Å; V110-T200 HydrophobicContact CB-CG2 4.32Å; V110-T200 HydrophobicContact CG1-CG2 4.01Å; V110-T200 WeakPolarHBondContact O-CG2 3.41Å; V110-T204 HydrophobicContact CB-CG2 4.42Å; V110-T204 VanDerWaalsContact CB-OG1 3.28Å; V110-T204 WeakPolarHBondContact CB-OG1 3.41Å; V110-T204 WeakPolarHBondContact CG1-OG1 3.37Å; V110-T204 HydrophobicContact CG2-CG2 3.97Å; V110-L207 HydrophobicContact CG2-CD2 3.93Å
111	V	98.9	Very high	98.3	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	124.1	-167.1	-175.4	0	0	0	0	110.9	R109 V116 L119 Y135 V136 F137 W138	R109-V111 HydrophobicContact CG-CG2 3.78Å; V111-V116 HydrophobicContact CG1-CG2 4.28Å; V111-L119 HydrophobicContact CG1-CD1 4.04Å; V111-L119 HydrophobicContact CG1-CD2 4.14Å; V111-L119 HydrophobicContact CG2-CD2 3.83Å; V111-Y135 HydrophobicContact CG2-CD1 4.4Å; V111-V136 PolarHBondContact N-O 3.48Å; V111-F137 HydrophobicContact CB-CD1 3.51Å; V111-F137 HydrophobicContact CB-CE1 3.57Å; V111-F137 HydrophobicContact CB-CG 4.4Å; V111-F137 HydrophobicContact CB-CZ 4.49Å; V111-F137 HydrophobicContact CG1-CD1 3.73Å; V111-F137 HydrophobicContact CG1-CE1 3.6Å; V111-F137 HydrophobicContact CG2-CD1 4.29Å; V111-F137 HydrophobicContact CG2-CE1 3.92Å; V111-F137 HydrophobicContact CG2-CZ 4.44Å; V111-F137 VanDerWaalsContact O-CA 3.32Å; V111-F137 WeakPolarHBondContact O-CA 3.24Å; V111-W138 PolarHBondContact O-N 3.38Å
112	S	98.3	Very high	98.3	Very high	7 Å²	7	39.7 Å²	39.7	5%	0.049	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	144.3	167.6	172	0	0	0	0	110.7	N91 T114 S115 V116 W138 T200	N91-S112 PolarHBondContact OD1-N 3.31Å; S112-T114 PolarHBondContact O-N 3.26Å; S112-T114 PolarHBondContact OG-N 3.14Å; S112-T114 PolarHBondContact OG-OG1 2.91Å; S112-S115 PolarHBondContact O-N 2.96Å; S112-V116 PolarHBondContact O-N 2.82Å; S112-W138 CarbonylContact C-O 3.45Å; S112-T200 WeakPolarHBondContact CB-OG1 3.47Å
113	H	97.8	Very high	98.2	Very high	31 Å²	31	41.8 Å²	41.8	14%	0.144	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-30.3	171.2	78.3	-73.5	0	0	0	113.7	S115 V116 W138 P140 N143 V152	H113-S115 VanDerWaalsContact C-N 3.31Å; H113-V116 PolarHBondContact O-N 3.45Å; H113-W138 WeakPolarHBondContact CB-O 3.21Å; H113-W138 PolarHBondContact N-O 2.77Å; H113-P140 WeakPolarHBondContact CE1-CD 3.27Å; H113-P140 VanDerWaalsContact ND1-CD 3.33Å; H113-P140 WeakPolarHBondContact ND1-CD 3.38Å; H113-N143 PolarHBondContact CD2-ND2 3.24Å; H113-N143 PolarHBondContact NE2-ND2 2.92Å; H113-V152 HydrophobicContact CB-CG1 4.1Å; H113-V152 HydrophobicContact CB-CG2 4.16Å
114	T	96.6	Very high	98.2	Very high	94 Å²	94	43.6 Å²	43.6	58%	0.577	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-26.9	176.6	52.5	0	0	0	0	113.1	S112	S112-T114 PolarHBondContact O-N 3.26Å; S112-T114 PolarHBondContact OG-N 3.14Å; S112-T114 PolarHBondContact OG-OG1 2.91Å
115	S	98.1	Very high	98.1	Very high	11 Å²	11	42.5 Å²	42.5	8%	0.077	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-12.2	177.9	-65	0	0	0	0	113.2	N91 S112 H113 L118 L119	N91-S115 WeakPolarHBondContact CB-OG 3.46Å; S112-S115 PolarHBondContact O-N 2.96Å; H113-S115 VanDerWaalsContact C-N 3.31Å; S115-L118 WeakPolarHBondContact O-CB 3.38Å; S115-L118 PolarHBondContact O-N 3.44Å; S115-L119 VanDerWaalsContact O-CD1 3.25Å; S115-L119 WeakPolarHBondContact O-CD1 3.48Å; S115-L119 PolarHBondContact O-N 2.93Å
116	V	98.6	Very high	98.2	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.018	20%	0.204	C	C	.	.	H	α-helix	trans	-54.4	-45.7	179.6	173.4	0	0	0	0	113.1	V111 S112 H113 L118 L119 I120 F137 V152 L156	V111-V116 HydrophobicContact CG1-CG2 4.28Å; S112-V116 PolarHBondContact O-N 2.82Å; H113-V116 PolarHBondContact O-N 3.45Å; V116-L118 PolarHBondContact O-N 3.13Å; V116-L119 PolarHBondContact O-N 2.87Å; V116-I120 HydrophobicContact CG1-CD1 3.68Å; V116-I120 HydrophobicContact CG1-CG1 4.24Å; V116-I120 WeakPolarHBondContact O-CG1 3.45Å; V116-I120 PolarHBondContact O-N 3.16Å; V116-F137 HydrophobicContact CG2-CD1 3.46Å; V116-F137 VanDerWaalsContact CG2-CD1 3.46Å; V116-F137 HydrophobicContact CG2-CE1 3.73Å; V116-V152 HydrophobicContact CB-CG1 4.09Å; V116-V152 HydrophobicContact CG1-CG1 4.14Å; V116-V152 HydrophobicContact CG2-CG1 3.74Å; V116-L156 HydrophobicContact CG1-CD2 3.95Å; V116-L156 HydrophobicContact CG1-CG 4.36Å; V116-L156 HydrophobicContact CG2-CD2 4.3Å
117	P	98.4	Very high	98.1	Very high	84 Å²	84	37.1 Å²	37.1	55%	0.545	20%	0.198	S	C	.	.	H	α-helix	trans	-58.5	-33.5	176.7	-25.4	36	0	0	0	113.5	K121	P117-K121 WeakPolarHBondContact O-CB 3.36Å; P117-K121 PolarHBondContact O-N 3.28Å
118	L	98.1	Very high	98	Very high	85 Å²	85	42.8 Å²	42.8	45%	0.445	22%	0.216	S	C	.	.	H	α-helix	trans	-70.6	-39.2	179	-57.1	176.1	0	0	0	111.6	N92 S115 V116 N122	N92-L118 HydrophobicContact CB-CB 4.07Å; N92-L118 HydrophobicContact CB-CD1 4.29Å; N92-L118 WeakPolarHBondContact OD1-CD1 3.47Å; S115-L118 WeakPolarHBondContact O-CB 3.38Å; S115-L118 PolarHBondContact O-N 3.44Å; V116-L118 PolarHBondContact O-N 3.13Å; L118-N122 PolarHBondContact O-N 3.2Å
119	L	98.4	Very high	97.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-67	-43.5	175.3	-84.5	73.4	0	0	0	111.3	N92 V111 S115 V116 K121 N122 E123 Y126 F127 Y135 F137	N92-L119 HydrophobicContact CB-CD1 3.87Å; V111-L119 HydrophobicContact CG1-CD1 4.04Å; V111-L119 HydrophobicContact CG1-CD2 4.14Å; V111-L119 HydrophobicContact CG2-CD2 3.83Å; S115-L119 VanDerWaalsContact O-CD1 3.25Å; S115-L119 WeakPolarHBondContact O-CD1 3.48Å; S115-L119 PolarHBondContact O-N 2.93Å; V116-L119 PolarHBondContact O-N 2.87Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 3.32Å; L119-N122 CarbonylContact O-C 3.56Å; L119-N122 PolarHBondContact O-N 3.22Å; L119-N122 VanDerWaalsContact O-N 3.13Å; L119-E123 PolarHBondContact O-N 3.12Å; L119-E123 VanDerWaalsContact O-N 3.1Å; L119-Y126 HydrophobicContact CB-CD2 3.95Å; L119-Y126 HydrophobicContact CB-CE2 4.38Å; L119-Y126 HydrophobicContact CB-CG 4.2Å; L119-Y126 HydrophobicContact CD2-CD1 4.11Å; L119-Y126 HydrophobicContact CD2-CG 4.19Å; L119-Y126 HydrophobicContact CG-CD1 3.94Å; L119-Y126 HydrophobicContact CG-CD2 3.79Å; L119-Y126 HydrophobicContact CG-CE1 4.09Å; L119-Y126 HydrophobicContact CG-CE2 3.95Å; L119-Y126 HydrophobicContact CG-CG 3.79Å; L119-F127 HydrophobicContact CB-CE2 4.35Å; L119-F127 HydrophobicContact CB-CZ 4.28Å; L119-F127 HydrophobicContact CD2-CZ 4.47Å; L119-Y135 HydrophobicContact CD2-CD1 4.19Å; L119-Y135 HydrophobicContact CD2-CE1 3.94Å; L119-F137 HydrophobicContact CD2-CE1 4.23Å; L119-F137 HydrophobicContact CD2-CZ 4.34Å
120	I	98.3	Very high	97.8	Very high	47 Å²	47	50.5 Å²	50.5	24%	0.241	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-39.2	178.6	-67.1	175.4	0	0	0	111	V116 N122 E123 F127 A155 M159	V116-I120 HydrophobicContact CG1-CD1 3.68Å; V116-I120 HydrophobicContact CG1-CG1 4.24Å; V116-I120 WeakPolarHBondContact O-CG1 3.45Å; V116-I120 PolarHBondContact O-N 3.16Å; I120-N122 PolarHBondContact O-N 3.12Å; I120-E123 WeakPolarHBondContact O-CB 3.49Å; I120-E123 PolarHBondContact O-N 3.13Å; I120-E123 VanDerWaalsContact O-N 3.13Å; I120-F127 HydrophobicContact CG1-CE2 4.46Å; I120-A155 HydrophobicContact CD1-CB 3.71Å; I120-M159 HydrophobicContact CD1-CG 4.28Å; I120-M159 HydrophobicContact CG1-CG 4.04Å; I120-M159 HydrophobicContact CG1-SD 4.24Å
121	K	98.2	Very high	97.6	Very high	186 Å²	186	51.4 Å²	51.4	81%	0.809	26%	0.262	S	S	*	.	H	α-helix	trans	-57.3	-30.4	175	-174.4	177.9	177.9	-177.5	0	112.2	P117 L119	P117-K121 WeakPolarHBondContact O-CB 3.36Å; P117-K121 PolarHBondContact O-N 3.28Å; L119-K121 VanDerWaalsContact C-N 3.34Å; L119-K121 PolarHBondContact O-N 3.32Å
122	N	97.6	Very high	97.5	Very high	80 Å²	80	58.9 Å²	58.9	43%	0.428	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.2	47.6	174.7	-163.9	-1.9	0	0	0	111.8	L118 L119 I120 S124 Y125 Y126	L118-N122 PolarHBondContact O-N 3.2Å; L119-N122 CarbonylContact O-C 3.56Å; L119-N122 PolarHBondContact O-N 3.22Å; L119-N122 VanDerWaalsContact O-N 3.13Å; I120-N122 PolarHBondContact O-N 3.12Å; N122-S124 PolarHBondContact O-N 3.1Å; N122-S124 VanDerWaalsContact O-N 3.16Å; N122-Y125 PolarHBondContact O-N 2.73Å; N122-Y125 VanDerWaalsContact O-N 3.12Å; N122-Y125 VanDerWaalsContact OD1-CB 3.27Å; N122-Y125 WeakPolarHBondContact OD1-CB 3.24Å; N122-Y126 HydrophobicContact CB-CD2 4.16Å; N122-Y126 HydrophobicContact CB-CE2 4.13Å; N122-Y126 WeakPolarHBondContact O-CD2 3.38Å; N122-Y126 PolarHBondContact O-N 2.86Å
123	E	97.5	Very high	97.5	Very high	44 Å²	44	58.9 Å²	58.9	21%	0.206	30%	0.301	C	S	.	.	H	α-helix	trans	-59	-28.8	-175.6	52	157.4	-130.9	0	0	113.8	L119 I120 F127 R128 M159 K162 Y163	L119-E123 PolarHBondContact O-N 3.12Å; L119-E123 VanDerWaalsContact O-N 3.1Å; I120-E123 WeakPolarHBondContact O-CB 3.49Å; I120-E123 PolarHBondContact O-N 3.13Å; I120-E123 VanDerWaalsContact O-N 3.13Å; E123-F127 HydrophobicContact CB-CD2 3.8Å; E123-F127 HydrophobicContact CB-CE2 4.47Å; E123-F127 WeakPolarHBondContact O-CA 3.11Å; E123-F127 WeakPolarHBondContact O-CB 3.45Å; E123-F127 PolarHBondContact O-N 3.27Å; E123-R128 PolarHBondContact O-N 3.22Å; E123-M159 HydrophobicContact CB-SD 4.36Å; E123-K162 WeakPolarHBondContact OE1-CE 3.3Å; E123-K162 IonicContact OE1-NZ 3.64Å; E123-K162 PolarHBondContact OE1-NZ 2.81Å; E123-K162 IonicContact OE2-NZ 3.57Å; E123-K162 PolarHBondContact OE2-NZ 3.03Å; E123-Y163 HydrophobicContact CB-CE2 4.31Å; E123-Y163 PolarHBondContact OE1-OH 3.22Å
124	S	97.4	Very high	97.6	Very high	38 Å²	38	58 Å²	58	27%	0.266	30%	0.298	S	S	.	.	I	π-helix	trans	-63.1	-45.1	176.7	-172.4	0	0	0	0	111	N122 R128 H129	N122-S124 PolarHBondContact O-N 3.1Å; N122-S124 VanDerWaalsContact O-N 3.16Å; S124-R128 WeakPolarHBondContact O-CA 3.42Å; S124-R128 VanDerWaalsContact O-CB 3.26Å; S124-R128 WeakPolarHBondContact O-CB 3.33Å; S124-R128 PolarHBondContact O-N 3.17Å; S124-H129 PolarHBondContact O-N 3.39Å; S124-H129 PolarHBondContact O-ND1 3.1Å; S124-H129 PolarHBondContact OG-CE1 3.05Å
125	Y	97.6	Very high	97.7	Very high	27 Å²	27	53.5 Å²	53.5	11%	0.106	27%	0.271	C	S	.	.	I	π-helix	trans	-66.5	-50.4	177	175.2	-102.1	0	0	0	112.2	T95 L96 N122 S130	T95-Y125 PolarHBondContact N-OH 2.85Å; T95-Y125 PolarHBondContact OG1-OH 3.35Å; L96-Y125 HydrophobicContact CB-CE2 4.01Å; N122-Y125 PolarHBondContact O-N 2.73Å; N122-Y125 VanDerWaalsContact O-N 3.12Å; N122-Y125 VanDerWaalsContact OD1-CB 3.27Å; N122-Y125 WeakPolarHBondContact OD1-CB 3.24Å; Y125-S130 WeakPolarHBondContact O-CB 3.46Å; Y125-S130 PolarHBondContact O-N 3.24Å; Y125-S130 VanDerWaalsContact O-N 3.08Å; Y125-S130 PolarHBondContact O-OG 3.42Å
126	Y	98.1	Very high	97.7	Very high	11 Å²	11	53 Å²	53	4%	0.043	27%	0.267	C	S	.	.	I	π-helix	trans	-78.4	-41.1	-172.7	-69.1	-72.2	0	0	0	113.3	N92 L119 N122 S130 Y135	N92-Y126 VanDerWaalsContact C-OH 3.23Å; N92-Y126 VanDerWaalsContact CA-OH 3.29Å; N92-Y126 WeakPolarHBondContact CA-OH 3.34Å; N92-Y126 PolarHBondContact O-OH 2.94Å; L119-Y126 HydrophobicContact CB-CD2 3.95Å; L119-Y126 HydrophobicContact CB-CE2 4.38Å; L119-Y126 HydrophobicContact CB-CG 4.2Å; L119-Y126 HydrophobicContact CD2-CD1 4.11Å; L119-Y126 HydrophobicContact CD2-CG 4.19Å; L119-Y126 HydrophobicContact CG-CD1 3.94Å; L119-Y126 HydrophobicContact CG-CD2 3.79Å; L119-Y126 HydrophobicContact CG-CE1 4.09Å; L119-Y126 HydrophobicContact CG-CE2 3.95Å; L119-Y126 HydrophobicContact CG-CG 3.79Å; N122-Y126 HydrophobicContact CB-CD2 4.16Å; N122-Y126 HydrophobicContact CB-CE2 4.13Å; N122-Y126 WeakPolarHBondContact O-CD2 3.38Å; N122-Y126 PolarHBondContact O-N 2.86Å; Y126-S130 WeakPolarHBondContact O-CB 3.14Å; Y126-Y135 HydrophobicContact CD1-CE1 4.45Å; Y126-Y135 PolarHBondContact O-OH 2.84Å
127	F	97.6	Very high	97.7	Very high	1 Å²	1	52.9 Å²	52.9	0%	0.004	27%	0.266	C	S	.	.	I	π-helix	trans	-108	-16.9	-171.1	-54.7	-64.3	0	0	0	114.1	L119 I120 E123 Y135 F137 M159 Y163 V166 I168	L119-F127 HydrophobicContact CB-CE2 4.35Å; L119-F127 HydrophobicContact CB-CZ 4.28Å; L119-F127 HydrophobicContact CD2-CZ 4.47Å; I120-F127 HydrophobicContact CG1-CE2 4.46Å; E123-F127 HydrophobicContact CB-CD2 3.8Å; E123-F127 HydrophobicContact CB-CE2 4.47Å; E123-F127 WeakPolarHBondContact O-CA 3.11Å; E123-F127 WeakPolarHBondContact O-CB 3.45Å; E123-F127 PolarHBondContact O-N 3.27Å; F127-Y135 HydrophobicContact CD1-CE2 4.27Å; F127-Y135 HydrophobicContact CE1-CD1 4.4Å; F127-Y135 HydrophobicContact CE1-CD2 4.44Å; F127-Y135 HydrophobicContact CE1-CE1 4.34Å; F127-Y135 HydrophobicContact CE1-CE2 4.39Å; F127-Y135 HydrophobicContact CE1-CG 4.46Å; F127-F137 HydrophobicContact CE1-CZ 4.35Å; F127-F137 HydrophobicContact CZ-CZ 4.33Å; F127-M159 HydrophobicContact CD2-CG 4.39Å; F127-M159 HydrophobicContact CD2-SD 4.01Å; F127-M159 HydrophobicContact CE2-CG 4.04Å; F127-M159 HydrophobicContact CE2-SD 4.07Å; F127-M159 HydrophobicContact CZ-CG 4.38Å; F127-Y163 HydrophobicContact CB-CD1 4.15Å; F127-Y163 HydrophobicContact CB-CD2 3.4Å; F127-Y163 VanDerWaalsContact CB-CD2 3.4Å; F127-Y163 HydrophobicContact CB-CE1 4.37Å; F127-Y163 HydrophobicContact CB-CE2 3.66Å; F127-Y163 HydrophobicContact CB-CG 3.67Å; F127-Y163 HydrophobicContact CD2-CE2 4.46Å; F127-Y163 HydrophobicContact CG-CD2 4.13Å; F127-Y163 HydrophobicContact CG-CE2 4.4Å; F127-V166 HydrophobicContact CB-CG2 4.39Å; F127-V166 HydrophobicContact CD1-CG1 4.19Å; F127-V166 WeakPolarHBondContact O-CG2 3.48Å; F127-I168 HydrophobicContact CD1-CD1 4.47Å; F127-I168 HydrophobicContact CE1-CD1 4.23Å
128	R	96.3	Very high	97.7	Very high	145 Å²	145	49.8 Å²	49.8	55%	0.547	24%	0.244	S	C	.	.	I	π-helix	trans	-100.8	-60.8	174.5	-174.6	-174	-64.6	177.1	-0.8	112.3	E123 S124 A131 Y163	E123-R128 PolarHBondContact O-N 3.22Å; S124-R128 WeakPolarHBondContact O-CA 3.42Å; S124-R128 VanDerWaalsContact O-CB 3.26Å; S124-R128 WeakPolarHBondContact O-CB 3.33Å; S124-R128 PolarHBondContact O-N 3.17Å; R128-A131 WeakPolarHBondContact O-CB 3.38Å; R128-A131 PolarHBondContact O-N 2.72Å; R128-Y163 HydrophobicContact CB-CE1 4.1Å
129	H	96	Very high	97.6	Very high	140 Å²	140	46.1 Å²	46.1	65%	0.648	23%	0.226	S	C	*	.	I	π-helix	trans	-71.5	-33.9	-178.2	-60.5	133.4	0	0	0	112.4	S124 A131	S124-H129 PolarHBondContact O-N 3.39Å; S124-H129 PolarHBondContact O-ND1 3.1Å; S124-H129 PolarHBondContact OG-CE1 3.05Å; H129-A131 VanDerWaalsContact C-N 3.34Å; H129-A131 PolarHBondContact O-N 2.9Å
130	S	96.3	Very high	97.4	Very high	25 Å²	25	48 Å²	48	18%	0.175	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	39.4	176.3	-45.3	0	0	0	0	112.1	Y125 Y126 D132 T133	Y125-S130 WeakPolarHBondContact O-CB 3.46Å; Y125-S130 PolarHBondContact O-N 3.24Å; Y125-S130 VanDerWaalsContact O-N 3.08Å; Y125-S130 PolarHBondContact O-OG 3.42Å; Y126-S130 WeakPolarHBondContact O-CB 3.14Å; S130-D132 PolarHBondContact O-N 2.79Å; S130-T133 VanDerWaalsContact O-CB 3.31Å; S130-T133 WeakPolarHBondContact O-CB 3.48Å; S130-T133 PolarHBondContact O-N 2.79Å
131	A	96.2	Very high	97.1	Very high	20 Å²	20	51.1 Å²	51.1	17%	0.165	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.9	-174.3	0	0	0	0	0	114	R128 H129 T133 Q165 V166	R128-A131 WeakPolarHBondContact O-CB 3.38Å; R128-A131 PolarHBondContact O-N 2.72Å; H129-A131 VanDerWaalsContact C-N 3.34Å; H129-A131 PolarHBondContact O-N 2.9Å; A131-T133 VanDerWaalsContact C-N 3.28Å; A131-T133 PolarHBondContact O-N 3.27Å; A131-Q165 HydrophobicContact CB-CG 3.95Å; A131-V166 HydrophobicContact CB-CG2 4.43Å
132	D	96.6	Very high	97	Very high	158 Å²	158	51 Å²	51	85%	0.845	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-11	177.9	-63.2	-39.2	0	0	0	113.4	S130 T134	S130-D132 PolarHBondContact O-N 2.79Å; D132-T134 PolarHBondContact O-N 2.8Å
133	T	98.3	Very high	96.9	Very high	6 Å²	6	48.6 Å²	48.6	4%	0.037	23%	0.234	C	C	.	.			trans	-70.7	131	176.2	-64.1	0	0	0	0	110.6	T106 R109 S130 A131 Y135	T106-T133 HydrophobicContact CG2-CG2 3.75Å; T106-T133 PolarHBondContact O-OG1 3.39Å; T106-T133 VanDerWaalsContact O-OG1 3.04Å; R109-T133 HydrophobicContact CB-CG2 3.84Å; S130-T133 VanDerWaalsContact O-CB 3.31Å; S130-T133 WeakPolarHBondContact O-CB 3.48Å; S130-T133 PolarHBondContact O-N 2.79Å; A131-T133 VanDerWaalsContact C-N 3.28Å; A131-T133 PolarHBondContact O-N 3.27Å; T133-Y135 HydrophobicContact CG2-CD2 4.04Å; T133-Y135 HydrophobicContact CG2-CE1 4.19Å; T133-Y135 HydrophobicContact CG2-CE2 3.61Å; T133-Y135 HydrophobicContact CG2-CG 4.47Å; T133-Y135 VanDerWaalsContact O-CD2 3.27Å; T133-Y135 WeakPolarHBondContact O-CD2 3.31Å; T133-Y135 WeakPolarHBondContact O-CE2 3.48Å
134	T	98.7	Very high	96.9	Very high	13 Å²	13	47.1 Å²	47.1	8%	0.08	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.2	165.8	-62.2	0	0	0	0	109.6	L56 S107 L108 R109 D132 K167 Y169	L56-T134 HydrophobicContact CD1-CG2 3.89Å; S107-T134 PolarHBondContact O-N 2.9Å; L108-T134 CarbonylContact C-O 3.51Å; L108-T134 VanDerWaalsContact CA-O 3.32Å; L108-T134 WeakPolarHBondContact CA-O 3.35Å; L108-T134 HydrophobicContact CD1-CG2 4.05Å; R109-T134 PolarHBondContact N-O 2.81Å; D132-T134 PolarHBondContact O-N 2.8Å; T134-K167 HydrophobicContact CG2-CB 4.15Å; T134-Y169 HydrophobicContact CG2-CD2 3.76Å; T134-Y169 HydrophobicContact CG2-CE2 3.68Å
135	Y	98.8	Very high	96.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	132.7	-179.5	-68.5	-96.1	0	0	0	111.2	R109 V111 L119 Y126 F127 T133 F137 V166 K167 Y169	R109-Y135 HydrophobicContact CB-CD1 4.01Å; R109-Y135 HydrophobicContact CB-CE1 4.06Å; R109-Y135 HydrophobicContact CG-CD1 4.41Å; R109-Y135 HydrophobicContact CG-CE1 4.32Å; R109-Y135 WeakPolarHBondContact O-CA 3.28Å; V111-Y135 HydrophobicContact CG2-CD1 4.4Å; L119-Y135 HydrophobicContact CD2-CD1 4.19Å; L119-Y135 HydrophobicContact CD2-CE1 3.94Å; Y126-Y135 HydrophobicContact CD1-CE1 4.45Å; Y126-Y135 PolarHBondContact O-OH 2.84Å; F127-Y135 HydrophobicContact CD1-CE2 4.27Å; F127-Y135 HydrophobicContact CE1-CD1 4.4Å; F127-Y135 HydrophobicContact CE1-CD2 4.44Å; F127-Y135 HydrophobicContact CE1-CE1 4.34Å; F127-Y135 HydrophobicContact CE1-CE2 4.39Å; F127-Y135 HydrophobicContact CE1-CG 4.46Å; T133-Y135 HydrophobicContact CG2-CD2 4.04Å; T133-Y135 HydrophobicContact CG2-CE1 4.19Å; T133-Y135 HydrophobicContact CG2-CE2 3.61Å; T133-Y135 HydrophobicContact CG2-CG 4.47Å; T133-Y135 VanDerWaalsContact O-CD2 3.27Å; T133-Y135 WeakPolarHBondContact O-CD2 3.31Å; T133-Y135 WeakPolarHBondContact O-CE2 3.48Å; Y135-F137 HydrophobicContact CD1-CE2 4.31Å; Y135-F137 AromaticContact CD1-CZ 3.97Å; Y135-F137 HydrophobicContact CD1-CZ 3.97Å; Y135-F137 HydrophobicContact CG-CE2 4.14Å; Y135-F137 HydrophobicContact CG-CZ 4.24Å; Y135-V166 HydrophobicContact CD2-CG1 3.55Å; Y135-V166 HydrophobicContact CE2-CG1 3.76Å; Y135-K167 PolarHBondContact N-O 2.85Å; Y135-Y169 PolarHBondContact O-N 3.31Å
136	V	98.9	Very high	96.5	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	114.8	173.5	173.8	0	0	0	0	109	Y44 L56 L108 R109 V110 V111 V171 L207	Y44-V136 HydrophobicContact CD1-CG1 3.66Å; Y44-V136 HydrophobicContact CD1-CG2 4.48Å; Y44-V136 HydrophobicContact CE1-CG1 3.93Å; L56-V136 HydrophobicContact CD2-CG2 4.23Å; L108-V136 HydrophobicContact CD1-CB 4.46Å; L108-V136 HydrophobicContact CD1-CG2 3.75Å; R109-V136 PolarHBondContact O-N 3.05Å; V110-V136 CarbonylContact C-O 3.58Å; V110-V136 VanDerWaalsContact CA-O 3.31Å; V110-V136 WeakPolarHBondContact CA-O 3.27Å; V111-V136 PolarHBondContact N-O 3.48Å; V136-V171 HydrophobicContact CG1-CG2 3.68Å; V136-L207 HydrophobicContact CB-CD2 4.21Å; V136-L207 HydrophobicContact CG1-CD2 4.15Å; V136-L207 HydrophobicContact CG2-CD2 3.98Å
137	F	98.8	Very high	96.3	Very high	1 Å²	1	55.6 Å²	55.6	0%	0.004	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	135.1	-177.8	-65.2	-87.7	0	0	0	111.3	V111 V116 L119 F127 Y135 M144 L156 I168 Y169 M170 V171	V111-F137 HydrophobicContact CB-CD1 3.51Å; V111-F137 HydrophobicContact CB-CE1 3.57Å; V111-F137 HydrophobicContact CB-CG 4.4Å; V111-F137 HydrophobicContact CB-CZ 4.49Å; V111-F137 HydrophobicContact CG1-CD1 3.73Å; V111-F137 HydrophobicContact CG1-CE1 3.6Å; V111-F137 HydrophobicContact CG2-CD1 4.29Å; V111-F137 HydrophobicContact CG2-CE1 3.92Å; V111-F137 HydrophobicContact CG2-CZ 4.44Å; V111-F137 VanDerWaalsContact O-CA 3.32Å; V111-F137 WeakPolarHBondContact O-CA 3.24Å; V116-F137 HydrophobicContact CG2-CD1 3.46Å; V116-F137 VanDerWaalsContact CG2-CD1 3.46Å; V116-F137 HydrophobicContact CG2-CE1 3.73Å; L119-F137 HydrophobicContact CD2-CE1 4.23Å; L119-F137 HydrophobicContact CD2-CZ 4.34Å; F127-F137 HydrophobicContact CE1-CZ 4.35Å; F127-F137 HydrophobicContact CZ-CZ 4.33Å; Y135-F137 HydrophobicContact CD1-CE2 4.31Å; Y135-F137 AromaticContact CD1-CZ 3.97Å; Y135-F137 HydrophobicContact CD1-CZ 3.97Å; Y135-F137 HydrophobicContact CG-CE2 4.14Å; Y135-F137 HydrophobicContact CG-CZ 4.24Å; F137-M144 HydrophobicContact CB-CE 4.28Å; F137-L156 HydrophobicContact CB-CD1 3.61Å; F137-L156 HydrophobicContact CD1-CD1 4.02Å; F137-L156 HydrophobicContact CD1-CD2 3.74Å; F137-L156 HydrophobicContact CD2-CD1 3.87Å; F137-L156 HydrophobicContact CD2-CD2 3.76Å; F137-L156 HydrophobicContact CD2-CG 4.44Å; F137-L156 HydrophobicContact CE1-CD2 3.59Å; F137-L156 HydrophobicContact CE2-CD2 3.6Å; F137-L156 HydrophobicContact CG-CD1 3.55Å; F137-L156 HydrophobicContact CG-CD2 3.82Å; F137-L156 HydrophobicContact CG-CG 4.35Å; F137-L156 HydrophobicContact CZ-CD2 3.53Å; F137-I168 HydrophobicContact CD2-CG2 3.81Å; F137-I168 HydrophobicContact CE2-CG2 3.72Å; F137-Y169 WeakPolarHBondContact CD2-O 3.37Å; F137-Y169 PolarHBondContact N-O 3.12Å; F137-M170 CarbonylContact O-C 3.55Å; F137-M170 VanDerWaalsContact O-CA 3.27Å; F137-M170 WeakPolarHBondContact O-CA 3.35Å; F137-V171 PolarHBondContact O-N 3.35Å
138	W	98.3	Very high	96.1	Very high	18 Å²	18	57.8 Å²	57.8	7%	0.068	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.1	177	78	-89.2	0	0	0	111	V111 S112 H113 V171 I176 L198 T200 F203	V111-W138 PolarHBondContact O-N 3.38Å; S112-W138 CarbonylContact C-O 3.45Å; H113-W138 WeakPolarHBondContact CB-O 3.21Å; H113-W138 PolarHBondContact N-O 2.77Å; W138-V171 HydrophobicContact CB-CB 4.06Å; W138-V171 HydrophobicContact CB-CG2 3.66Å; W138-I176 HydrophobicContact CB-CD1 4.21Å; W138-I176 HydrophobicContact CE3-CD1 4.34Å; W138-L198 VanDerWaalsContact CH2-O 3.24Å; W138-L198 WeakPolarHBondContact CH2-O 3.36Å; W138-T200 PolarHBondContact NE1-OG1 3.18Å; W138-T200 VanDerWaalsContact NE1-OG1 3.13Å; W138-F203 AromaticContact CD2-CD2 3.5Å; W138-F203 HydrophobicContact CD2-CD2 3.5Å; W138-F203 AromaticContact CD2-CE2 3.55Å; W138-F203 HydrophobicContact CD2-CE2 3.55Å; W138-F203 HydrophobicContact CD2-CG 4.14Å; W138-F203 HydrophobicContact CD2-CZ 4.22Å; W138-F203 AromaticContact CE2-CD2 3.52Å; W138-F203 AromaticContact CE2-CE2 3.8Å; W138-F203 AromaticContact CE3-CD2 3.79Å; W138-F203 HydrophobicContact CE3-CD2 3.79Å; W138-F203 HydrophobicContact CE3-CE1 4.47Å; W138-F203 AromaticContact CE3-CE2 3.29Å; W138-F203 HydrophobicContact CE3-CE2 3.29Å; W138-F203 AromaticContact CE3-CZ 3.7Å; W138-F203 HydrophobicContact CE3-CZ 3.7Å; W138-F203 AromaticContact CG-CD2 3.98Å; W138-F203 HydrophobicContact CG-CD2 3.98Å; W138-F203 HydrophobicContact CG-CE2 4.37Å; W138-F203 HydrophobicContact CG-CG 4.15Å; W138-F203 HydrophobicContact CH2-CD2 4.11Å; W138-F203 AromaticContact CH2-CE2 3.59Å; W138-F203 HydrophobicContact CH2-CE2 3.59Å; W138-F203 AromaticContact CZ2-CD2 3.84Å; W138-F203 HydrophobicContact CZ2-CD2 3.84Å; W138-F203 AromaticContact CZ2-CE2 3.83Å; W138-F203 HydrophobicContact CZ2-CE2 3.83Å; W138-F203 HydrophobicContact CZ3-CD2 4.09Å; W138-F203 AromaticContact CZ3-CE2 3.32Å; W138-F203 HydrophobicContact CZ3-CE2 3.32Å; W138-F203 AromaticContact CZ3-CZ 3.9Å; W138-F203 HydrophobicContact CZ3-CZ 3.9Å; W138-F203 AromaticContact NE1-CD2 3.96Å
139	G	96.1	Very high	96.2	Very high	8 Å²	8	57.9 Å²	57.9	8%	0.082	29%	0.29	C	S	.	.			trans	179.9	172.2	179.4	0	0	0	0	0	113.5
140	P	93.9	Very high	96.2	Very high	40 Å²	40	51.2 Å²	51.2	26%	0.26	26%	0.259	S	S	.	.			trans	-66.8	147.7	178.2	30.2	-35.4	0	0	0	110.7	H113 R142 N143 M144	H113-P140 WeakPolarHBondContact CE1-CD 3.27Å; H113-P140 VanDerWaalsContact ND1-CD 3.33Å; H113-P140 WeakPolarHBondContact ND1-CD 3.38Å; P140-R142 HydrophobicContact CB-CG 4.26Å; P140-R142 HydrophobicContact CG-CG 4.16Å; P140-R142 PolarHBondContact O-N 2.85Å; P140-R142 VanDerWaalsContact O-N 3.1Å; P140-N143 HydrophobicContact CG-CB 4.25Å; P140-N143 PolarHBondContact O-N 2.89Å; P140-M144 PolarHBondContact O-N 2.89Å
141	E	92.9	Very high	96.3	Very high	113 Å²	113	60 Å²	60	53%	0.528	29%	0.289	S	S	.	.	H	α-helix	trans	-49.8	-41.4	-177	-176.7	172.2	-165.9	0	0	112.8	N143 M144 R145 R173	E141-N143 PolarHBondContact O-N 2.88Å; E141-M144 PolarHBondContact O-N 3.48Å; E141-M144 VanDerWaalsContact O-N 3.11Å; E141-R145 WeakPolarHBondContact O-CB 3.31Å; E141-R145 PolarHBondContact O-N 3.28Å; E141-R173 IonicContact OE1-CZ 3.72Å; E141-R173 IonicContact OE1-NH1 3.57Å; E141-R173 PolarHBondContact OE1-NH1 3.26Å; E141-R173 IonicContact OE2-CZ 2.84Å; E141-R173 IonicContact OE2-NE 2.79Å; E141-R173 IonicContact OE2-NH1 2.75Å; E141-R173 PolarHBondContact OE2-NH1 3.04Å
142	R	94.8	Very high	96.4	Very high	183 Å²	183	59.8 Å²	59.8	69%	0.691	29%	0.285	S	S	*	.	H	α-helix	trans	-52.3	-34.3	177.4	71.8	179.1	-177.3	-178	-2.1	113.9	P140	P140-R142 HydrophobicContact CB-CG 4.26Å; P140-R142 HydrophobicContact CG-CG 4.16Å; P140-R142 PolarHBondContact O-N 2.85Å; P140-R142 VanDerWaalsContact O-N 3.1Å
143	N	96.8	Very high	96.5	Very high	30 Å²	30	52.9 Å²	52.9	16%	0.16	25%	0.248	C	C	.	.	H	α-helix	trans	-95.5	-23.9	-176.1	-72.2	-26.1	0	0	0	112.3	H113 P140 E141 G150 V152 F153	H113-N143 PolarHBondContact CD2-ND2 3.24Å; H113-N143 PolarHBondContact NE2-ND2 2.92Å; P140-N143 HydrophobicContact CG-CB 4.25Å; P140-N143 PolarHBondContact O-N 2.89Å; E141-N143 PolarHBondContact O-N 2.88Å; N143-G150 CarbonylContact O-C 3.54Å; N143-G150 VanDerWaalsContact O-C 3.28Å; N143-G150 WeakPolarHBondContact O-CA 3.32Å; N143-V152 HydrophobicContact CB-CB 4.22Å; N143-V152 HydrophobicContact CB-CG2 3.97Å; N143-V152 WeakPolarHBondContact O-CB 3.41Å; N143-V152 PolarHBondContact O-N 2.79Å; N143-V152 VanDerWaalsContact O-N 3.07Å; N143-F153 PolarHBondContact O-N 3.13Å; N143-F153 VanDerWaalsContact O-N 3.13Å
144	M	96.4	Very high	96.4	Very high	12 Å²	12	55 Å²	55	6%	0.059	26%	0.259	C	S	.	.	H	α-helix	trans	-105	-2.6	-173.6	-61.7	-59.6	-71	0	0	114.1	F137 P140 E141 V152 L156 M170	F137-M144 HydrophobicContact CB-CE 4.28Å; P140-M144 PolarHBondContact O-N 2.89Å; E141-M144 PolarHBondContact O-N 3.48Å; E141-M144 VanDerWaalsContact O-N 3.11Å; M144-V152 HydrophobicContact SD-CB 3.97Å; M144-V152 HydrophobicContact SD-CG1 3.62Å; M144-L156 HydrophobicContact CE-CD1 4.09Å; M144-M170 HydrophobicContact CE-CB 3.68Å
145	R	94.5	Very high	96.4	Very high	92 Å²	92	55.7 Å²	55.7	35%	0.347	27%	0.266	S	S	.	.			trans	-56.4	139	176.8	62.2	-169.7	-72.4	177.7	0.5	112.5	E141 D147 G150	E141-R145 WeakPolarHBondContact O-CB 3.31Å; E141-R145 PolarHBondContact O-N 3.28Å; R145-D147 WeakPolarHBondContact CG-OD1 3.25Å; R145-D147 IonicContact CZ-OD1 3.71Å; R145-D147 IonicContact CZ-OD2 3.3Å; R145-D147 IonicContact NE-OD1 3.41Å; R145-D147 PolarHBondContact NE-OD1 2.96Å; R145-D147 IonicContact NE-OD2 3.45Å; R145-D147 PolarHBondContact NE-OD2 2.94Å; R145-D147 IonicContact NH2-OD1 3.78Å; R145-D147 IonicContact NH2-OD2 2.8Å; R145-D147 PolarHBondContact NH2-OD2 2.83Å; R145-G150 VanDerWaalsContact CG-N 3.26Å; R145-G150 VanDerWaalsContact O-CA 3.3Å; R145-G150 WeakPolarHBondContact O-CA 3.49Å; R145-G150 PolarHBondContact O-N 3.26Å
146	Q	93.3	Very high	96.4	Very high	69 Å²	69	55.7 Å²	55.7	32%	0.322	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	3.3	-172.9	-52.2	-170.6	12.9	0	0	114.4	G148 F153 M170	Q146-G148 PolarHBondContact O-N 2.83Å; Q146-F153 HydrophobicContact CB-CD1 4.29Å; Q146-F153 HydrophobicContact CB-CE1 3.86Å; Q146-F153 HydrophobicContact CB-CE2 4.43Å; Q146-F153 HydrophobicContact CB-CZ 3.94Å; Q146-F153 HydrophobicContact CG-CD1 4.28Å; Q146-F153 HydrophobicContact CG-CD2 3.96Å; Q146-F153 HydrophobicContact CG-CE1 3.93Å; Q146-F153 HydrophobicContact CG-CE2 3.59Å; Q146-F153 HydrophobicContact CG-CG 4.29Å; Q146-F153 HydrophobicContact CG-CZ 3.57Å; Q146-M170 HydrophobicContact CG-SD 4.48Å; Q146-M170 VanDerWaalsContact NE2-CE 3.31Å; Q146-M170 PolarHBondContact NE2-SD 2.81Å; Q146-M170 VanDerWaalsContact NE2-SD 3.36Å
147	D	93.8	Very high	96.3	Very high	93 Å²	93	58 Å²	58	50%	0.497	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	23	-177.6	60.9	12.9	0	0	0	113.8	R145 K149	R145-D147 WeakPolarHBondContact CG-OD1 3.25Å; R145-D147 IonicContact CZ-OD1 3.71Å; R145-D147 IonicContact CZ-OD2 3.3Å; R145-D147 IonicContact NE-OD1 3.41Å; R145-D147 PolarHBondContact NE-OD1 2.96Å; R145-D147 IonicContact NE-OD2 3.45Å; R145-D147 PolarHBondContact NE-OD2 2.94Å; R145-D147 IonicContact NH2-OD1 3.78Å; R145-D147 IonicContact NH2-OD2 2.8Å; R145-D147 PolarHBondContact NH2-OD2 2.83Å; D147-K149 VanDerWaalsContact C-N 3.25Å; D147-K149 PolarHBondContact O-N 3.37Å; D147-K149 PolarHBondContact OD1-N 2.94Å
148	G	93.7	Very high	96.3	Very high	47 Å²	47	65 Å²	65	49%	0.485	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	-5.8	-178.3	0	0	0	0	0	115.1	Q146 N154	Q146-G148 PolarHBondContact O-N 2.83Å; G148-N154 PolarHBondContact O-ND2 3.43Å
149	K	96.6	Very high	96.3	Very high	148 Å²	148	65 Å²	65	64%	0.643	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-6.7	176.4	-51.3	-171.4	-168.7	175.2	0	113.9	D147 R151	D147-K149 VanDerWaalsContact C-N 3.25Å; D147-K149 PolarHBondContact O-N 3.37Å; D147-K149 PolarHBondContact OD1-N 2.94Å; K149-R151 PolarHBondContact O-N 2.85Å
150	G	97.3	Very high	96.3	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	31%	0.307	C	S	.	.			trans	-79.5	97.9	179.2	0	0	0	0	0	111.5	N143 R145 V152 F153 N154	N143-G150 CarbonylContact O-C 3.54Å; N143-G150 VanDerWaalsContact O-C 3.28Å; N143-G150 WeakPolarHBondContact O-CA 3.32Å; R145-G150 VanDerWaalsContact CG-N 3.26Å; R145-G150 VanDerWaalsContact O-CA 3.3Å; R145-G150 WeakPolarHBondContact O-CA 3.49Å; R145-G150 PolarHBondContact O-N 3.26Å; G150-V152 VanDerWaalsContact C-N 3.27Å; G150-V152 PolarHBondContact O-N 2.61Å; G150-F153 PolarHBondContact O-N 3.24Å; G150-N154 WeakPolarHBondContact O-CB 3.32Å; G150-N154 PolarHBondContact O-N 3.37Å; G150-N154 PolarHBondContact O-ND2 3.02Å; G150-N154 PolarHBondContact O-OD1 2.83Å
151	R	97.9	Very high	96.4	Very high	208 Å²	208	67 Å²	67	79%	0.785	32%	0.319	S	S	*	.	H	α-helix	trans	-54.1	-42.8	-174.9	-66.3	-178	-178	168.5	0.4	113.1	K149 A155	K149-R151 PolarHBondContact O-N 2.85Å; R151-A155 WeakPolarHBondContact O-CB 3.33Å; R151-A155 PolarHBondContact O-N 3.38Å
152	V	98.3	Very high	96.6	Very high	16 Å²	16	66.8 Å²	66.8	10%	0.097	32%	0.317	C	S	.	.	H	α-helix	trans	-75.4	-46.2	-178.7	176	0	0	0	0	110.3	H113 V116 N143 M144 G150 N154 A155 L156	H113-V152 HydrophobicContact CB-CG1 4.1Å; H113-V152 HydrophobicContact CB-CG2 4.16Å; V116-V152 HydrophobicContact CB-CG1 4.09Å; V116-V152 HydrophobicContact CG1-CG1 4.14Å; V116-V152 HydrophobicContact CG2-CG1 3.74Å; N143-V152 HydrophobicContact CB-CB 4.22Å; N143-V152 HydrophobicContact CB-CG2 3.97Å; N143-V152 WeakPolarHBondContact O-CB 3.41Å; N143-V152 PolarHBondContact O-N 2.79Å; N143-V152 VanDerWaalsContact O-N 3.07Å; M144-V152 HydrophobicContact SD-CB 3.97Å; M144-V152 HydrophobicContact SD-CG1 3.62Å; G150-V152 VanDerWaalsContact C-N 3.27Å; G150-V152 PolarHBondContact O-N 2.61Å; V152-N154 VanDerWaalsContact C-N 3.32Å; V152-N154 PolarHBondContact O-N 2.79Å; V152-A155 PolarHBondContact O-N 3.38Å; V152-A155 VanDerWaalsContact O-N 3.15Å; V152-L156 HydrophobicContact CG1-CD1 4.03Å; V152-L156 HydrophobicContact CG1-CG 4.36Å; V152-L156 WeakPolarHBondContact O-CG 3.3Å; V152-L156 PolarHBondContact O-N 3.22Å
153	F	97.9	Very high	96.8	Very high	13 Å²	13	58.7 Å²	58.7	6%	0.057	29%	0.286	C	S	.	.	H	α-helix	trans	-55.9	-46.7	175.1	-179.9	-94	0	0	0	112.1	I47 N143 Q146 G150 A155 L156 M157 M170	I47-F153 HydrophobicContact CD1-CD2 4Å; I47-F153 HydrophobicContact CD1-CE2 4.03Å; I47-F153 HydrophobicContact CG1-CD2 4.48Å; I47-F153 HydrophobicContact CG1-CE2 4.01Å; I47-F153 HydrophobicContact CG2-CE2 4.33Å; N143-F153 PolarHBondContact O-N 3.13Å; N143-F153 VanDerWaalsContact O-N 3.13Å; Q146-F153 HydrophobicContact CB-CD1 4.29Å; Q146-F153 HydrophobicContact CB-CE1 3.86Å; Q146-F153 HydrophobicContact CB-CE2 4.43Å; Q146-F153 HydrophobicContact CB-CZ 3.94Å; Q146-F153 HydrophobicContact CG-CD1 4.28Å; Q146-F153 HydrophobicContact CG-CD2 3.96Å; Q146-F153 HydrophobicContact CG-CE1 3.93Å; Q146-F153 HydrophobicContact CG-CE2 3.59Å; Q146-F153 HydrophobicContact CG-CG 4.29Å; Q146-F153 HydrophobicContact CG-CZ 3.57Å; G150-F153 PolarHBondContact O-N 3.24Å; F153-A155 VanDerWaalsContact C-N 3.31Å; F153-A155 PolarHBondContact O-N 3.15Å; F153-L156 PolarHBondContact O-N 3.4Å; F153-M157 HydrophobicContact CE1-CE 3.93Å; F153-M157 HydrophobicContact CZ-CE 3.65Å; F153-M157 WeakPolarHBondContact O-CB 3.41Å; F153-M157 PolarHBondContact O-N 3.18Å; F153-M170 HydrophobicContact CD2-SD 3.67Å; F153-M170 HydrophobicContact CE2-SD 3.59Å; F153-M170 VanDerWaalsContact CE2-SD 3.59Å
154	N	97.8	Very high	96.6	Very high	52 Å²	52	61.5 Å²	61.5	28%	0.278	31%	0.306	S	S	.	.	H	α-helix	trans	-61.3	-39.8	178.5	-67.1	-13.8	0	0	0	112	G148 G150 V152 M157 K158	G148-N154 PolarHBondContact O-ND2 3.43Å; G150-N154 WeakPolarHBondContact O-CB 3.32Å; G150-N154 PolarHBondContact O-N 3.37Å; G150-N154 PolarHBondContact O-ND2 3.02Å; G150-N154 PolarHBondContact O-OD1 2.83Å; V152-N154 VanDerWaalsContact C-N 3.32Å; V152-N154 PolarHBondContact O-N 2.79Å; N154-M157 PolarHBondContact O-N 2.93Å; N154-K158 WeakPolarHBondContact O-CG 3.34Å; N154-K158 PolarHBondContact O-N 3.48Å; N154-K158 VanDerWaalsContact O-N 3.1Å
155	A	98.3	Very high	96.5	Very high	27 Å²	27	65.9 Å²	65.9	22%	0.223	33%	0.326	C	S	.	.	H	α-helix	trans	-66.1	-42.1	176.4	0	0	0	0	0	111.6	I120 R151 V152 F153 K158 M159	I120-A155 HydrophobicContact CD1-CB 3.71Å; R151-A155 WeakPolarHBondContact O-CB 3.33Å; R151-A155 PolarHBondContact O-N 3.38Å; V152-A155 PolarHBondContact O-N 3.38Å; V152-A155 VanDerWaalsContact O-N 3.15Å; F153-A155 VanDerWaalsContact C-N 3.31Å; F153-A155 PolarHBondContact O-N 3.15Å; A155-K158 WeakPolarHBondContact O-CB 3.25Å; A155-K158 PolarHBondContact O-N 3.1Å; A155-M159 PolarHBondContact O-N 3.19Å; A155-M159 VanDerWaalsContact O-N 3.12Å
156	L	98.2	Very high	96.6	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-64.8	-39.1	174.9	-66.3	174	0	0	0	112.2	I47 V116 F137 M144 V152 F153 K158 M159 A160	I47-L156 HydrophobicContact CD1-CB 3.75Å; I47-L156 HydrophobicContact CD1-CD1 3.84Å; I47-L156 HydrophobicContact CD1-CG 4.45Å; V116-L156 HydrophobicContact CG1-CD2 3.95Å; V116-L156 HydrophobicContact CG1-CG 4.36Å; V116-L156 HydrophobicContact CG2-CD2 4.3Å; F137-L156 HydrophobicContact CB-CD1 3.61Å; F137-L156 HydrophobicContact CD1-CD1 4.02Å; F137-L156 HydrophobicContact CD1-CD2 3.74Å; F137-L156 HydrophobicContact CD2-CD1 3.87Å; F137-L156 HydrophobicContact CD2-CD2 3.76Å; F137-L156 HydrophobicContact CD2-CG 4.44Å; F137-L156 HydrophobicContact CE1-CD2 3.59Å; F137-L156 HydrophobicContact CE2-CD2 3.6Å; F137-L156 HydrophobicContact CG-CD1 3.55Å; F137-L156 HydrophobicContact CG-CD2 3.82Å; F137-L156 HydrophobicContact CG-CG 4.35Å; F137-L156 HydrophobicContact CZ-CD2 3.53Å; M144-L156 HydrophobicContact CE-CD1 4.09Å; V152-L156 HydrophobicContact CG1-CD1 4.03Å; V152-L156 HydrophobicContact CG1-CG 4.36Å; V152-L156 WeakPolarHBondContact O-CG 3.3Å; V152-L156 PolarHBondContact O-N 3.22Å; F153-L156 PolarHBondContact O-N 3.4Å; L156-K158 VanDerWaalsContact C-N 3.31Å; L156-K158 PolarHBondContact O-N 3.3Å; L156-M159 PolarHBondContact O-N 3.04Å; L156-M159 VanDerWaalsContact O-N 3.13Å; L156-A160 PolarHBondContact O-N 3.4Å
157	M	97.4	Very high	96.8	Very high	49 Å²	49	63.5 Å²	63.5	24%	0.241	32%	0.318	C	S	.	.	H	α-helix	trans	-60.8	-41.3	174.5	-175.1	60.8	74.8	0	0	111.2	I47 P49 F153 N154 M159 A160 T161	I47-M157 HydrophobicContact CG2-CB 4.23Å; I47-M157 HydrophobicContact CG2-CE 3.71Å; I47-M157 HydrophobicContact CG2-SD 3.96Å; P49-M157 HydrophobicContact CG-SD 4.47Å; F153-M157 HydrophobicContact CE1-CE 3.93Å; F153-M157 HydrophobicContact CZ-CE 3.65Å; F153-M157 WeakPolarHBondContact O-CB 3.41Å; F153-M157 PolarHBondContact O-N 3.18Å; N154-M157 PolarHBondContact O-N 2.93Å; M157-M159 VanDerWaalsContact C-N 3.32Å; M157-M159 PolarHBondContact O-N 3.01Å; M157-A160 PolarHBondContact O-N 3.23Å; M157-T161 PolarHBondContact O-N 3.2Å; M157-T161 PolarHBondContact O-OG1 3.13Å; M157-T161 VanDerWaalsContact O-OG1 3.06Å
158	K	97.5	Very high	97	Very high	148 Å²	148	59 Å²	59	64%	0.643	29%	0.294	S	S	*	.	H	α-helix	trans	-61.1	-40.5	173.4	-69	177.9	-173.9	-173.6	0	112.1	N154 A155 L156 T161 K162	N154-K158 WeakPolarHBondContact O-CG 3.34Å; N154-K158 PolarHBondContact O-N 3.48Å; N154-K158 VanDerWaalsContact O-N 3.1Å; A155-K158 WeakPolarHBondContact O-CB 3.25Å; A155-K158 PolarHBondContact O-N 3.1Å; L156-K158 VanDerWaalsContact C-N 3.31Å; L156-K158 PolarHBondContact O-N 3.3Å; K158-T161 PolarHBondContact O-N 2.79Å; K158-K162 WeakPolarHBondContact O-CB 3.34Å; K158-K162 PolarHBondContact O-N 2.84Å
159	M	97.9	Very high	97.3	Very high	16 Å²	16	57.4 Å²	57.4	8%	0.079	27%	0.273	C	S	.	.	H	α-helix	trans	-67.2	-42.1	176	-65	-60.5	94.2	0	0	111.9	I120 E123 F127 A155 L156 M157 T161 K162 Y163 I168	I120-M159 HydrophobicContact CD1-CG 4.28Å; I120-M159 HydrophobicContact CG1-CG 4.04Å; I120-M159 HydrophobicContact CG1-SD 4.24Å; E123-M159 HydrophobicContact CB-SD 4.36Å; F127-M159 HydrophobicContact CD2-CG 4.39Å; F127-M159 HydrophobicContact CD2-SD 4.01Å; F127-M159 HydrophobicContact CE2-CG 4.04Å; F127-M159 HydrophobicContact CE2-SD 4.07Å; F127-M159 HydrophobicContact CZ-CG 4.38Å; A155-M159 PolarHBondContact O-N 3.19Å; A155-M159 VanDerWaalsContact O-N 3.12Å; L156-M159 PolarHBondContact O-N 3.04Å; L156-M159 VanDerWaalsContact O-N 3.13Å; M157-M159 VanDerWaalsContact C-N 3.32Å; M157-M159 PolarHBondContact O-N 3.01Å; M159-T161 VanDerWaalsContact C-N 3.31Å; M159-T161 PolarHBondContact O-N 2.96Å; M159-K162 HydrophobicContact CE-CD 4.27Å; M159-K162 PolarHBondContact O-N 3.18Å; M159-Y163 PolarHBondContact O-N 3.14Å; M159-Y163 HydrophobicContact SD-CD2 4.44Å; M159-Y163 HydrophobicContact SD-CE2 4.2Å; M159-I168 HydrophobicContact CB-CD1 4.04Å
160	A	96.8	Very high	97.3	Very high	6 Å²	6	51.1 Å²	51.1	5%	0.05	25%	0.246	C	C	.	.	H	α-helix	trans	-62.2	-37.9	176.5	0	0	0	0	0	112.2	I47 L156 M157 Y163 P164 I168	I47-A160 HydrophobicContact CG2-CB 4.14Å; I47-A160 WeakPolarHBondContact O-CB 3.39Å; L156-A160 PolarHBondContact O-N 3.4Å; M157-A160 PolarHBondContact O-N 3.23Å; A160-Y163 CarbonylContact O-C 3.58Å; A160-P164 WeakPolarHBondContact O-CA 3.41Å; A160-I168 HydrophobicContact CB-CD1 4.17Å
161	T	96.8	Very high	97.3	Very high	85 Å²	85	51.5 Å²	51.5	52%	0.521	25%	0.249	S	C	.	.	H	α-helix	trans	-68.3	-40.9	173.4	-57.5	0	0	0	0	112.1	P49 M157 K158 M159	P49-T161 WeakPolarHBondContact CG-OG1 3.11Å; M157-T161 PolarHBondContact O-N 3.2Å; M157-T161 PolarHBondContact O-OG1 3.13Å; M157-T161 VanDerWaalsContact O-OG1 3.06Å; K158-T161 PolarHBondContact O-N 2.79Å; M159-T161 VanDerWaalsContact C-N 3.31Å; M159-T161 PolarHBondContact O-N 2.96Å
162	K	97.6	Very high	97.3	Very high	109 Å²	109	42.3 Å²	42.3	47%	0.474	22%	0.216	S	C	.	.	H	α-helix	trans	-73.8	-32	-177.7	-175.1	173.1	176.1	-178.5	0	113.2	E123 K158 M159 P164	E123-K162 WeakPolarHBondContact OE1-CE 3.3Å; E123-K162 IonicContact OE1-NZ 3.64Å; E123-K162 PolarHBondContact OE1-NZ 2.81Å; E123-K162 IonicContact OE2-NZ 3.57Å; E123-K162 PolarHBondContact OE2-NZ 3.03Å; K158-K162 WeakPolarHBondContact O-CB 3.34Å; K158-K162 PolarHBondContact O-N 2.84Å; M159-K162 HydrophobicContact CE-CD 4.27Å; M159-K162 PolarHBondContact O-N 3.18Å; K162-P164 WeakPolarHBondContact O-CD 3.27Å
163	Y	97.1	Very high	97.1	Very high	12 Å²	12	47.8 Å²	47.8	5%	0.047	24%	0.235	C	C	.	.			trans	-126.2	69.8	-176.9	-59.5	-75.4	0	0	0	110.3	E123 F127 R128 M159 A160 Q165 V166	E123-Y163 HydrophobicContact CB-CE2 4.31Å; E123-Y163 PolarHBondContact OE1-OH 3.22Å; F127-Y163 HydrophobicContact CB-CD1 4.15Å; F127-Y163 HydrophobicContact CB-CD2 3.4Å; F127-Y163 VanDerWaalsContact CB-CD2 3.4Å; F127-Y163 HydrophobicContact CB-CE1 4.37Å; F127-Y163 HydrophobicContact CB-CE2 3.66Å; F127-Y163 HydrophobicContact CB-CG 3.67Å; F127-Y163 HydrophobicContact CD2-CE2 4.46Å; F127-Y163 HydrophobicContact CG-CD2 4.13Å; F127-Y163 HydrophobicContact CG-CE2 4.4Å; R128-Y163 HydrophobicContact CB-CE1 4.1Å; M159-Y163 PolarHBondContact O-N 3.14Å; M159-Y163 HydrophobicContact SD-CD2 4.44Å; M159-Y163 HydrophobicContact SD-CE2 4.2Å; A160-Y163 CarbonylContact O-C 3.58Å; Y163-Q165 PolarHBondContact O-N 3.48Å; Y163-Q165 VanDerWaalsContact O-N 3.16Å; Y163-V166 WeakPolarHBondContact O-CB 3.45Å; Y163-V166 PolarHBondContact O-N 3.49Å
164	P	94.3	Very high	96.9	Very high	89 Å²	89	52.9 Å²	52.9	58%	0.578	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-22	-170.2	26.1	-35.9	0	0	0	114.5	A160 K162 V166	A160-P164 WeakPolarHBondContact O-CA 3.41Å; K162-P164 WeakPolarHBondContact O-CD 3.27Å; P164-V166 VanDerWaalsContact C-N 3.31Å
165	Q	94.4	Very high	96.9	Very high	104 Å²	104	51.5 Å²	51.5	49%	0.486	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-25.4	174.2	76.4	-76.7	14.2	0	0	112.7	A131 Y163	A131-Q165 HydrophobicContact CB-CG 3.95Å; Y163-Q165 PolarHBondContact O-N 3.48Å; Y163-Q165 VanDerWaalsContact O-N 3.16Å
166	V	96.5	Very high	96.8	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.018	25%	0.246	C	C	.	.	S	Bend	trans	-75.5	132.5	-177.8	-175.7	0	0	0	0	109.8	F127 A131 Y135 Y163 P164 I168	F127-V166 HydrophobicContact CB-CG2 4.39Å; F127-V166 HydrophobicContact CD1-CG1 4.19Å; F127-V166 WeakPolarHBondContact O-CG2 3.48Å; A131-V166 HydrophobicContact CB-CG2 4.43Å; Y135-V166 HydrophobicContact CD2-CG1 3.55Å; Y135-V166 HydrophobicContact CE2-CG1 3.76Å; Y163-V166 WeakPolarHBondContact O-CB 3.45Å; Y163-V166 PolarHBondContact O-N 3.49Å; P164-V166 VanDerWaalsContact C-N 3.31Å; V166-I168 HydrophobicContact CB-CG1 4.45Å; V166-I168 HydrophobicContact CG1-CD1 4.42Å; V166-I168 HydrophobicContact CG1-CG1 3.87Å; V166-I168 PolarHBondContact O-N 2.77Å
167	K	97.3	Very high	96.6	Very high	108 Å²	108	56 Å²	56	47%	0.47	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	98.4	178.4	-63.7	173.1	-175	167	0	109.5	T134 Y135 Y169	T134-K167 HydrophobicContact CG2-CB 4.15Å; Y135-K167 PolarHBondContact N-O 2.85Å; K167-Y169 HydrophobicContact CB-CE2 3.87Å
168	I	98	Very high	96.5	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	125.6	178.9	-61.9	-178.1	0	0	0	109.6	R46 I47 F127 F137 M159 A160 V166	R46-I168 CarbonylContact C-O 3.57Å; R46-I168 WeakPolarHBondContact CA-O 3.04Å; R46-I168 WeakPolarHBondContact CG-O 3.03Å; I47-I168 HydrophobicContact CB-CB 4.49Å; I47-I168 HydrophobicContact CB-CG2 3.92Å; I47-I168 HydrophobicContact CD1-CG2 4Å; I47-I168 HydrophobicContact CG1-CG2 4.23Å; I47-I168 PolarHBondContact N-O 2.82Å; F127-I168 HydrophobicContact CD1-CD1 4.47Å; F127-I168 HydrophobicContact CE1-CD1 4.23Å; F137-I168 HydrophobicContact CD2-CG2 3.81Å; F137-I168 HydrophobicContact CE2-CG2 3.72Å; M159-I168 HydrophobicContact CB-CD1 4.04Å; A160-I168 HydrophobicContact CB-CD1 4.17Å; V166-I168 HydrophobicContact CB-CG1 4.45Å; V166-I168 HydrophobicContact CG1-CD1 4.42Å; V166-I168 HydrophobicContact CG1-CG1 3.87Å; V166-I168 PolarHBondContact O-N 2.77Å
169	Y	98.4	Very high	96.4	Very high	13 Å²	13	52 Å²	52	5%	0.051	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	154.8	176.6	-63.9	-95.1	0	0	0	111	L45 R46 L56 T134 Y135 F137 K167	L45-Y169 CarbonylContact O-C 3.57Å; L45-Y169 VanDerWaalsContact O-CA 3.22Å; L45-Y169 WeakPolarHBondContact O-CA 3.35Å; R46-Y169 VanDerWaalsContact CA-CD1 3.48Å; R46-Y169 HydrophobicContact CB-CD1 3.82Å; R46-Y169 HydrophobicContact CB-CE1 3.59Å; R46-Y169 HydrophobicContact CG-CD1 4.29Å; R46-Y169 HydrophobicContact CG-CE1 3.97Å; L56-Y169 VanDerWaalsContact CA-CE1 3.49Å; L56-Y169 HydrophobicContact CB-CD1 4.07Å; L56-Y169 HydrophobicContact CB-CE1 4.01Å; L56-Y169 HydrophobicContact CD1-CD2 4.02Å; L56-Y169 HydrophobicContact CD1-CE1 4.36Å; L56-Y169 HydrophobicContact CD1-CE2 3.65Å; L56-Y169 HydrophobicContact CD1-CG 4.5Å; T134-Y169 HydrophobicContact CG2-CD2 3.76Å; T134-Y169 HydrophobicContact CG2-CE2 3.68Å; Y135-Y169 PolarHBondContact O-N 3.31Å; F137-Y169 WeakPolarHBondContact CD2-O 3.37Å; F137-Y169 PolarHBondContact N-O 3.12Å; K167-Y169 HydrophobicContact CB-CE2 3.87Å
170	M	97.7	Very high	96.1	Very high	15 Å²	15	52.4 Å²	52.4	7%	0.074	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	146.7	166.4	51.6	171.7	-99	0	0	111.2	Y44 L45 I47 F137 M144 Q146 F153	Y44-M170 CarbonylContact C-O 3.53Å; Y44-M170 WeakPolarHBondContact CA-O 3.46Å; L45-M170 HydrophobicContact CB-CG 4.19Å; L45-M170 PolarHBondContact N-O 2.96Å; L45-M170 WeakPolarHBondContact O-CG 3.46Å; L45-M170 PolarHBondContact O-N 3.16Å; I47-M170 HydrophobicContact CD1-CB 4.03Å; I47-M170 HydrophobicContact CD1-CG 4.16Å; I47-M170 HydrophobicContact CG1-CB 4.27Å; I47-M170 HydrophobicContact CG1-CG 3.93Å; I47-M170 HydrophobicContact CG1-SD 4.44Å; F137-M170 CarbonylContact O-C 3.55Å; F137-M170 VanDerWaalsContact O-CA 3.27Å; F137-M170 WeakPolarHBondContact O-CA 3.35Å; M144-M170 HydrophobicContact CE-CB 3.68Å; Q146-M170 HydrophobicContact CG-SD 4.48Å; Q146-M170 VanDerWaalsContact NE2-CE 3.31Å; Q146-M170 PolarHBondContact NE2-SD 2.81Å; Q146-M170 VanDerWaalsContact NE2-SD 3.36Å; F153-M170 HydrophobicContact CD2-SD 3.67Å; F153-M170 HydrophobicContact CE2-SD 3.59Å; F153-M170 VanDerWaalsContact CE2-SD 3.59Å
171	V	98.1	Very high	96	Very high	8 Å²	8	54.4 Å²	54.4	5%	0.048	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	129	166.4	-172.2	0	0	0	0	108.7	G43 Y44 V136 F137 W138 K175 I176	G43-V171 CarbonylContact O-C 3.55Å; G43-V171 WeakPolarHBondContact O-CA 3.48Å; Y44-V171 HydrophobicContact CD1-CG2 4.06Å; Y44-V171 HydrophobicContact CE1-CG2 3.9Å; V136-V171 HydrophobicContact CG1-CG2 3.68Å; F137-V171 PolarHBondContact O-N 3.35Å; W138-V171 HydrophobicContact CB-CB 4.06Å; W138-V171 HydrophobicContact CB-CG2 3.66Å; V171-K175 HydrophobicContact CG1-CB 3.7Å; V171-K175 HydrophobicContact CG1-CG 3.75Å; V171-I176 HydrophobicContact CB-CD1 4.05Å; V171-I176 HydrophobicContact CB-CG1 4.49Å; V171-I176 HydrophobicContact CG1-CD1 3.66Å; V171-I176 HydrophobicContact CG1-CG1 3.97Å
172	T	95.9	Very high	95.9	Very high	16 Å²	16	51.4 Å²	51.4	10%	0.098	24%	0.244	C	C	.	.			trans	-75.6	163.9	179.9	76.6	0	0	0	0	111.6	G43 L45 E174 K175 I176	G43-T172 WeakPolarHBondContact CA-OG1 3.37Å; G43-T172 PolarHBondContact O-N 3.24Å; L45-T172 HydrophobicContact CB-CG2 4.01Å; T172-E174 WeakPolarHBondContact CB-OE2 3.43Å; T172-E174 PolarHBondContact O-N 3.26Å; T172-E174 PolarHBondContact OG1-OE2 2.98Å; T172-K175 PolarHBondContact O-N 3.3Å; T172-K175 PolarHBondContact OG1-N 3.31Å; T172-I176 WeakPolarHBondContact O-CG1 3.44Å; T172-I176 PolarHBondContact O-N 2.95Å
173	R	94.8	Very high	95.7	Very high	131 Å²	131	46.6 Å²	46.6	49%	0.494	22%	0.223	S	C	.	.	H	α-helix	trans	-57.6	-41.1	178.2	176.3	175.8	170.7	173.3	-8.9	111.5	E141 I176 Q177	E141-R173 IonicContact OE1-CZ 3.72Å; E141-R173 IonicContact OE1-NH1 3.57Å; E141-R173 PolarHBondContact OE1-NH1 3.26Å; E141-R173 IonicContact OE2-CZ 2.84Å; E141-R173 IonicContact OE2-NE 2.79Å; E141-R173 IonicContact OE2-NH1 2.75Å; E141-R173 PolarHBondContact OE2-NH1 3.04Å; R173-I176 PolarHBondContact O-N 3.5Å; R173-Q177 WeakPolarHBondContact O-CG 3.49Å; R173-Q177 PolarHBondContact O-N 2.97Å
174	E	95.1	Very high	95.5	Very high	120 Å²	120	49.7 Å²	49.7	56%	0.561	24%	0.238	S	C	*	.	H	α-helix	trans	-65.4	-41.4	-179.1	-55.7	69.5	-145.9	0	0	110.5	T172 Q177 Y178	T172-E174 WeakPolarHBondContact CB-OE2 3.43Å; T172-E174 PolarHBondContact O-N 3.26Å; T172-E174 PolarHBondContact OG1-OE2 2.98Å; E174-Q177 PolarHBondContact O-N 3.22Å; E174-Y178 WeakPolarHBondContact O-CB 3.47Å; E174-Y178 PolarHBondContact O-N 3.39Å
175	K	96.8	Very high	95.4	Very high	23 Å²	23	51.8 Å²	51.8	10%	0.1	24%	0.244	C	C	.	.	H	α-helix	trans	-70.8	-34.1	176.6	-171	66.1	174.8	-171.9	0	112.3	Y44 V171 T172 Y178 C179 D210	Y44-K175 HydrophobicContact CE2-CD 4.24Å; Y44-K175 HydrophobicContact CE2-CG 4.21Å; Y44-K175 WeakPolarHBondContact OH-CE 3.33Å; V171-K175 HydrophobicContact CG1-CB 3.7Å; V171-K175 HydrophobicContact CG1-CG 3.75Å; T172-K175 PolarHBondContact O-N 3.3Å; T172-K175 PolarHBondContact OG1-N 3.31Å; K175-Y178 HydrophobicContact CD-CD1 3.94Å; K175-Y178 PolarHBondContact O-N 3.23Å; K175-C179 PolarHBondContact O-N 3.33Å; K175-C179 PolarHBondContact O-SG 3.44Å; K175-D210 IonicContact NZ-OD2 2.67Å; K175-D210 PolarHBondContact NZ-OD2 3.49Å
176	I	95.4	Very high	95.3	Very high	25 Å²	25	49.7 Å²	49.7	13%	0.128	24%	0.235	C	C	.	.	H	α-helix	trans	-60.4	-47.6	169.7	-64	-63	0	0	0	110.3	W138 V171 T172 R173 Y178 C179 D180 F203	W138-I176 HydrophobicContact CB-CD1 4.21Å; W138-I176 HydrophobicContact CE3-CD1 4.34Å; V171-I176 HydrophobicContact CB-CD1 4.05Å; V171-I176 HydrophobicContact CB-CG1 4.49Å; V171-I176 HydrophobicContact CG1-CD1 3.66Å; V171-I176 HydrophobicContact CG1-CG1 3.97Å; T172-I176 WeakPolarHBondContact O-CG1 3.44Å; T172-I176 PolarHBondContact O-N 2.95Å; R173-I176 PolarHBondContact O-N 3.5Å; I176-Y178 VanDerWaalsContact C-N 3.3Å; I176-Y178 PolarHBondContact O-N 2.85Å; I176-C179 PolarHBondContact O-N 2.93Å; I176-D180 PolarHBondContact O-N 3.45Å; I176-D180 VanDerWaalsContact O-OD1 3.12Å; I176-F203 HydrophobicContact CD1-CD1 4.18Å; I176-F203 HydrophobicContact CD1-CE1 3.41Å; I176-F203 VanDerWaalsContact CD1-CE1 3.41Å; I176-F203 HydrophobicContact CD1-CZ 3.8Å
177	Q	93.8	Very high	95	Very high	97 Å²	97	51.3 Å²	51.3	45%	0.453	24%	0.244	S	C	.	.	H	α-helix	trans	-62.7	-36.8	177.8	-71.1	170.1	-22.2	0	0	112.4	R173 E174 D180 S181	R173-Q177 WeakPolarHBondContact O-CG 3.49Å; R173-Q177 PolarHBondContact O-N 2.97Å; E174-Q177 PolarHBondContact O-N 3.22Å; Q177-D180 WeakPolarHBondContact O-CB 3.46Å; Q177-D180 PolarHBondContact O-N 2.67Å; Q177-S181 PolarHBondContact O-N 3.08Å
178	Y	95.8	Very high	94.5	Very high	111 Å²	111	49.4 Å²	49.4	44%	0.435	26%	0.256	S	S	.	.	H	α-helix	trans	-62	-46.5	172	169.7	-94.5	0	0	0	111.9	E174 K175 I176 D180 S181 V182 I206	E174-Y178 WeakPolarHBondContact O-CB 3.47Å; E174-Y178 PolarHBondContact O-N 3.39Å; K175-Y178 HydrophobicContact CD-CD1 3.94Å; K175-Y178 PolarHBondContact O-N 3.23Å; I176-Y178 VanDerWaalsContact C-N 3.3Å; I176-Y178 PolarHBondContact O-N 2.85Å; Y178-D180 PolarHBondContact O-N 3.38Å; Y178-S181 PolarHBondContact O-N 2.65Å; Y178-S181 VanDerWaalsContact O-N 3.16Å; Y178-S181 PolarHBondContact O-OG 3.22Å; Y178-V182 HydrophobicContact CD1-CG2 4.24Å; Y178-V182 HydrophobicContact CD2-CG2 4.46Å; Y178-V182 HydrophobicContact CE1-CG2 3.74Å; Y178-V182 HydrophobicContact CE2-CG2 3.98Å; Y178-V182 WeakPolarHBondContact O-CG2 3.39Å; Y178-V182 PolarHBondContact O-N 3.35Å; Y178-I206 HydrophobicContact CE1-CG2 4.16Å
179	C	95.3	Very high	93.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-60.3	-34.7	175.5	-64.4	0	0	0	0	111.6	K175 I176 F183 L198 F202 F203 I206	K175-C179 PolarHBondContact O-N 3.33Å; K175-C179 PolarHBondContact O-SG 3.44Å; I176-C179 PolarHBondContact O-N 2.93Å; C179-F183 PolarHBondContact O-N 3.16Å; C179-F183 VanDerWaalsContact O-N 3.09Å; C179-L198 HydrophobicContact CB-CD1 3.9Å; C179-F202 HydrophobicContact CB-CE1 4.34Å; C179-F202 WeakPolarHBondContact O-CE1 3.29Å; C179-F203 HydrophobicContact CB-CD1 4.1Å; C179-F203 HydrophobicContact CB-CE1 3.61Å; C179-F203 HydrophobicContact CB-CZ 4.37Å; C179-I206 HydrophobicContact CB-CD1 3.99Å; C179-I206 VanDerWaalsContact SG-CD1 3.58Å
180	D	92.8	Very high	92.8	Very high	26 Å²	26	57.9 Å²	57.9	14%	0.139	30%	0.295	C	S	.	.	H	α-helix	trans	-66.7	-40.9	176.6	-61.4	-9.7	0	0	0	112.2	I176 Q177 Y178 F183 Q184 R191	I176-D180 PolarHBondContact O-N 3.45Å; I176-D180 VanDerWaalsContact O-OD1 3.12Å; Q177-D180 WeakPolarHBondContact O-CB 3.46Å; Q177-D180 PolarHBondContact O-N 2.67Å; Y178-D180 PolarHBondContact O-N 3.38Å; D180-F183 PolarHBondContact O-N 3.25Å; D180-Q184 WeakPolarHBondContact O-CB 3.43Å; D180-Q184 PolarHBondContact O-N 3.13Å; D180-R191 VanDerWaalsContact CG-CZ 3.43Å; D180-R191 IonicContact OD1-CZ 2.66Å; D180-R191 IonicContact OD1-NE 3.8Å; D180-R191 PolarHBondContact OD1-NE 3.4Å; D180-R191 IonicContact OD1-NH2 3.19Å; D180-R191 PolarHBondContact OD1-NH2 2.79Å; D180-R191 IonicContact OD2-CZ 3.14Å; D180-R191 IonicContact OD2-NE 3.99Å; D180-R191 IonicContact OD2-NH2 2.77Å; D180-R191 PolarHBondContact OD2-NH2 2.81Å
181	S	94	Very high	91.7	Very high	48 Å²	48	58.3 Å²	58.3	34%	0.336	30%	0.296	S	S	.	.	H	α-helix	trans	-69.9	-38	177.1	68.9	0	0	0	0	111.9	Q177 Y178 F183 Q184 N185	Q177-S181 PolarHBondContact O-N 3.08Å; Y178-S181 PolarHBondContact O-N 2.65Å; Y178-S181 VanDerWaalsContact O-N 3.16Å; Y178-S181 PolarHBondContact O-OG 3.22Å; S181-F183 PolarHBondContact O-N 3.27Å; S181-Q184 PolarHBondContact O-N 3.38Å; S181-N185 WeakPolarHBondContact O-CB 3.34Å; S181-N185 PolarHBondContact O-N 2.95Å; S181-N185 PolarHBondContact O-OD1 2.89Å
182	V	94.9	Very high	90.3	Very high	22 Å²	22	63.9 Å²	63.9	13%	0.133	32%	0.323	C	S	.	.	H	α-helix	trans	-56.8	-50.8	172.3	171.2	0	0	0	0	110.2	Y178 Q184 N185 E186 F202 I206 W273	Y178-V182 HydrophobicContact CD1-CG2 4.24Å; Y178-V182 HydrophobicContact CD2-CG2 4.46Å; Y178-V182 HydrophobicContact CE1-CG2 3.74Å; Y178-V182 HydrophobicContact CE2-CG2 3.98Å; Y178-V182 WeakPolarHBondContact O-CG2 3.39Å; Y178-V182 PolarHBondContact O-N 3.35Å; V182-Q184 PolarHBondContact O-N 2.86Å; V182-N185 PolarHBondContact O-N 3.1Å; V182-E186 HydrophobicContact CG1-CG 4.45Å; V182-E186 WeakPolarHBondContact O-CB 3.05Å; V182-E186 VanDerWaalsContact O-CG 3.27Å; V182-E186 WeakPolarHBondContact O-CG 3.41Å; V182-E186 PolarHBondContact O-N 3.11Å; V182-F202 HydrophobicContact CG1-CZ 4.05Å; V182-I206 HydrophobicContact CB-CD1 4.47Å; V182-I206 HydrophobicContact CG1-CD1 4.32Å; V182-W273 HydrophobicContact CG1-CH2 4.03Å; V182-W273 HydrophobicContact CG1-CZ2 3.52Å
183	F	93	Very high	89	Confident	8 Å²	8	70 Å²	70	4%	0.035	36%	0.355	C	S	.	.	H	α-helix	trans	-60.6	-44.9	177.6	-175.9	-90.1	0	0	0	112.2	C179 D180 S181 N185 E186 T187 R191 L198 F202 R262 T265 E266 I269	C179-F183 PolarHBondContact O-N 3.16Å; C179-F183 VanDerWaalsContact O-N 3.09Å; D180-F183 PolarHBondContact O-N 3.25Å; S181-F183 PolarHBondContact O-N 3.27Å; F183-N185 VanDerWaalsContact C-N 3.31Å; F183-N185 PolarHBondContact O-N 2.9Å; F183-E186 PolarHBondContact O-N 3.06Å; F183-T187 HydrophobicContact CD1-CG2 4.4Å; F183-T187 HydrophobicContact CD2-CG2 4.38Å; F183-T187 HydrophobicContact CE1-CG2 4.07Å; F183-T187 HydrophobicContact CE2-CG2 4.06Å; F183-T187 HydrophobicContact CZ-CG2 3.89Å; F183-T187 WeakPolarHBondContact O-CG2 3.32Å; F183-T187 PolarHBondContact O-N 3.31Å; F183-T187 VanDerWaalsContact O-N 3.08Å; F183-T187 PolarHBondContact O-OG1 3.39Å; F183-R191 HydrophobicContact CD1-CB 4.08Å; F183-R191 HydrophobicContact CE1-CB 4.15Å; F183-L198 HydrophobicContact CB-CD2 3.84Å; F183-L198 HydrophobicContact CD2-CD2 3.4Å; F183-L198 HydrophobicContact CE2-CD2 4.07Å; F183-L198 HydrophobicContact CG-CD2 3.67Å; F183-F202 HydrophobicContact CB-CE1 4.28Å; F183-F202 HydrophobicContact CB-CZ 3.88Å; F183-F202 HydrophobicContact CD2-CE2 4.04Å; F183-F202 HydrophobicContact CD2-CZ 4.17Å; F183-R262 HydrophobicContact CE2-CB 4.42Å; F183-R262 HydrophobicContact CZ-CB 4.14Å; F183-R262 HydrophobicContact CZ-CG 4.18Å; F183-T265 HydrophobicContact CE2-CG2 4.15Å; F183-T265 HydrophobicContact CZ-CG2 4.09Å; F183-E266 HydrophobicContact CE2-CG 4.22Å; F183-I269 HydrophobicContact CD2-CD1 3.71Å; F183-I269 HydrophobicContact CE2-CD1 3.87Å
184	Q	92.6	Very high	87.5	Confident	76 Å²	76	65.8 Å²	65.8	36%	0.355	35%	0.346	S	S	.	.	H	α-helix	trans	-61	-40.5	178.5	178.3	173.5	-26.9	0	0	112.1	D180 S181 V182 G188 K189 N190	D180-Q184 WeakPolarHBondContact O-CB 3.43Å; D180-Q184 PolarHBondContact O-N 3.13Å; S181-Q184 PolarHBondContact O-N 3.38Å; V182-Q184 PolarHBondContact O-N 2.86Å; Q184-G188 WeakPolarHBondContact O-CA 3.46Å; Q184-G188 PolarHBondContact O-N 3.45Å; Q184-K189 WeakPolarHBondContact CA-O 3.43Å; Q184-N190 PolarHBondContact OE1-ND2 2.77Å
185	N	93.1	Very high	86.1	Confident	134 Å²	134	61.3 Å²	61.3	72%	0.717	33%	0.332	S	S	*	.	H	α-helix	trans	-67.4	-39.1	178.1	-70.2	-7.9	0	0	0	111.6	S181 V182 F183 T187	S181-N185 WeakPolarHBondContact O-CB 3.34Å; S181-N185 PolarHBondContact O-N 2.95Å; S181-N185 PolarHBondContact O-OD1 2.89Å; V182-N185 PolarHBondContact O-N 3.1Å; F183-N185 VanDerWaalsContact C-N 3.31Å; F183-N185 PolarHBondContact O-N 2.9Å; N185-T187 VanDerWaalsContact C-N 3.33Å; N185-T187 PolarHBondContact O-N 3.22Å
186	E	92.2	Very high	85.2	Confident	60 Å²	60	60.4 Å²	60.4	28%	0.28	33%	0.328	S	S	.	.	H	α-helix	trans	-70.4	-25.1	179.3	-76.2	-69.1	163.1	0	0	114.3	V182 F183 I269 R272 W273	V182-E186 HydrophobicContact CG1-CG 4.45Å; V182-E186 WeakPolarHBondContact O-CB 3.05Å; V182-E186 VanDerWaalsContact O-CG 3.27Å; V182-E186 WeakPolarHBondContact O-CG 3.41Å; V182-E186 PolarHBondContact O-N 3.11Å; F183-E186 PolarHBondContact O-N 3.06Å; E186-I269 HydrophobicContact CB-CD1 3.81Å; E186-I269 HydrophobicContact CB-CG1 3.92Å; E186-I269 HydrophobicContact CB-CG2 4.24Å; E186-I269 HydrophobicContact CG-CD1 4.43Å; E186-I269 HydrophobicContact CG-CG1 4.41Å; E186-I269 HydrophobicContact CG-CG2 3.79Å; E186-R272 PolarHBondContact O-NH2 2.59Å; E186-R272 IonicContact OE2-CZ 2.73Å; E186-R272 IonicContact OE2-NE 3.77Å; E186-R272 PolarHBondContact OE2-NE 3.18Å; E186-R272 VanDerWaalsContact OE2-NE 3.14Å; E186-R272 IonicContact OE2-NH2 3.43Å; E186-R272 PolarHBondContact OE2-NH2 2.86Å; E186-W273 HydrophobicContact CG-CZ2 4.29Å; E186-W273 PolarHBondContact OE1-NE1 2.81Å
187	T	89.5	Confident	84.5	Confident	36 Å²	36	63.9 Å²	63.9	22%	0.221	34%	0.343	C	S	.	.	H	α-helix	trans	-121.9	-8.1	-173.5	75.9	0	0	0	0	114.3	F183 N185 K189 T265 I269	F183-T187 HydrophobicContact CD1-CG2 4.4Å; F183-T187 HydrophobicContact CD2-CG2 4.38Å; F183-T187 HydrophobicContact CE1-CG2 4.07Å; F183-T187 HydrophobicContact CE2-CG2 4.06Å; F183-T187 HydrophobicContact CZ-CG2 3.89Å; F183-T187 WeakPolarHBondContact O-CG2 3.32Å; F183-T187 PolarHBondContact O-N 3.31Å; F183-T187 VanDerWaalsContact O-N 3.08Å; F183-T187 PolarHBondContact O-OG1 3.39Å; N185-T187 VanDerWaalsContact C-N 3.33Å; N185-T187 PolarHBondContact O-N 3.22Å; T187-K189 PolarHBondContact O-N 2.96Å; T187-K189 VanDerWaalsContact O-N 3.13Å; T187-K189 WeakPolarHBondContact OG1-CB 3.31Å; T187-K189 PolarHBondContact OG1-N 2.85Å; T187-K189 VanDerWaalsContact OG1-N 3.12Å; T187-T265 HydrophobicContact CG2-CG2 3.62Å; T187-I269 HydrophobicContact CG2-CD1 3.79Å; T187-I269 HydrophobicContact CG2-CG1 4.39Å
188	G	87.8	Confident	84.4	Confident	69 Å²	69	59.4 Å²	59.4	71%	0.711	32%	0.322	S	S	*	.	S	Bend	trans	62.7	10.7	-168.1	0	0	0	0	0	114.3	Q184	Q184-G188 WeakPolarHBondContact O-CA 3.46Å; Q184-G188 PolarHBondContact O-N 3.45Å
189	K	81.2	Confident	84.4	Confident	141 Å²	141	54.6 Å²	54.6	61%	0.613	30%	0.304	S	S	*	.			trans	-117.9	122.4	-173.1	-65.6	174.4	-176.6	173.2	0	110.4	Q184 T187 R191	Q184-K189 WeakPolarHBondContact CA-O 3.43Å; T187-K189 PolarHBondContact O-N 2.96Å; T187-K189 VanDerWaalsContact O-N 3.13Å; T187-K189 WeakPolarHBondContact OG1-CB 3.31Å; T187-K189 PolarHBondContact OG1-N 2.85Å; T187-K189 VanDerWaalsContact OG1-N 3.12Å; K189-R191 PolarHBondContact O-N 3.37Å
190	N	79.8	Confident	84.6	Confident	50 Å²	50	55.1 Å²	55.1	27%	0.267	31%	0.308	S	S	.	.			trans	-73.7	112.7	171.2	-174.8	-59.8	0	0	0	109.9	Q184 M192 N193 S194	Q184-N190 PolarHBondContact OE1-ND2 2.77Å; N190-M192 VanDerWaalsContact C-N 3.28Å; N190-M192 PolarHBondContact O-N 3.03Å; N190-M192 WeakPolarHBondContact OD1-CA 3.18Å; N190-M192 VanDerWaalsContact OD1-CB 3.23Å; N190-M192 WeakPolarHBondContact OD1-CB 3.25Å; N190-M192 PolarHBondContact OD1-N 3.07Å; N190-N193 HydrophobicContact CB-CB 4.37Å; N190-N193 PolarHBondContact O-N 3.2Å; N190-N193 PolarHBondContact OD1-N 2.75Å; N190-S194 PolarHBondContact O-N 3.02Å
191	R	73.4	Confident	84.8	Confident	23 Å²	23	54.5 Å²	54.5	9%	0.087	31%	0.307	C	S	.	.	H	α-helix	trans	-64.2	-32.3	-177.2	73.6	173.7	-169.3	76	4.2	113.4	D180 F183 K189 N193 S194 G195 A196	D180-R191 VanDerWaalsContact CG-CZ 3.43Å; D180-R191 IonicContact OD1-CZ 2.66Å; D180-R191 IonicContact OD1-NE 3.8Å; D180-R191 PolarHBondContact OD1-NE 3.4Å; D180-R191 IonicContact OD1-NH2 3.19Å; D180-R191 PolarHBondContact OD1-NH2 2.79Å; D180-R191 IonicContact OD2-CZ 3.14Å; D180-R191 IonicContact OD2-NE 3.99Å; D180-R191 IonicContact OD2-NH2 2.77Å; D180-R191 PolarHBondContact OD2-NH2 2.81Å; F183-R191 HydrophobicContact CD1-CB 4.08Å; F183-R191 HydrophobicContact CE1-CB 4.15Å; K189-R191 PolarHBondContact O-N 3.37Å; R191-N193 VanDerWaalsContact C-N 3.27Å; R191-N193 PolarHBondContact O-N 2.85Å; R191-S194 WeakPolarHBondContact CA-OG 3.39Å; R191-S194 CarbonylContact O-C 3.51Å; R191-S194 PolarHBondContact O-N 3.39Å; R191-S194 VanDerWaalsContact O-N 3.1Å; R191-S194 PolarHBondContact O-OG 3.04Å; R191-G195 PolarHBondContact O-N 3.33Å; R191-A196 HydrophobicContact CB-CB 4.38Å; R191-A196 PolarHBondContact NH1-O 2.94Å; R191-A196 VanDerWaalsContact NH1-O 3.11Å; R191-A196 PolarHBondContact O-N 3.44Å
192	M	69.9	Low	85	Confident	125 Å²	125	52.2 Å²	52.2	62%	0.616	29%	0.291	S	S	*	.	H	α-helix	trans	-63.5	-36.5	-180	-61.3	-65.4	-68.7	0	0	111	N190	N190-M192 VanDerWaalsContact C-N 3.28Å; N190-M192 PolarHBondContact O-N 3.03Å; N190-M192 WeakPolarHBondContact OD1-CA 3.18Å; N190-M192 VanDerWaalsContact OD1-CB 3.23Å; N190-M192 WeakPolarHBondContact OD1-CB 3.25Å; N190-M192 PolarHBondContact OD1-N 3.07Å
193	N	68.5	Low	85.1	Confident	144 Å²	144	51.4 Å²	51.4	77%	0.77	29%	0.286	S	S	*	.	H	α-helix	trans	-71	-34.5	174.9	-63.9	-11.1	0	0	0	112	N190 R191	N190-N193 HydrophobicContact CB-CB 4.37Å; N190-N193 PolarHBondContact O-N 3.2Å; N190-N193 PolarHBondContact OD1-N 2.75Å; R191-N193 VanDerWaalsContact C-N 3.27Å; R191-N193 PolarHBondContact O-N 2.85Å
194	S	62.4	Low	85.4	Confident	44 Å²	44	51 Å²	51	31%	0.308	28%	0.284	S	S	.	.	H	α-helix	trans	-83.8	-5.7	179.1	73.6	0	0	0	0	114.8	N190 R191 A196	N190-S194 PolarHBondContact O-N 3.02Å; R191-S194 WeakPolarHBondContact CA-OG 3.39Å; R191-S194 CarbonylContact O-C 3.51Å; R191-S194 PolarHBondContact O-N 3.39Å; R191-S194 VanDerWaalsContact O-N 3.1Å; R191-S194 PolarHBondContact O-OG 3.04Å; S194-A196 PolarHBondContact O-N 2.91Å; S194-A196 WeakPolarHBondContact OG-CB 3.45Å
195	G	66.6	Low	85.7	Confident	25 Å²	25	47.5 Å²	47.5	26%	0.258	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.3	19.8	-175.2	0	0	0	0	0	114.8	R191 G259	R191-G195 PolarHBondContact O-N 3.33Å; G195-G259 PolarHBondContact O-N 2.91Å
196	A	76.3	Confident	85.9	Confident	4 Å²	4	41.3 Å²	41.3	3%	0.033	24%	0.235	C	C	.	.			trans	-89.6	146.3	-179.1	0	0	0	0	0	112.2	R191 S194 R262	R191-A196 HydrophobicContact CB-CB 4.38Å; R191-A196 PolarHBondContact NH1-O 2.94Å; R191-A196 VanDerWaalsContact NH1-O 3.11Å; R191-A196 PolarHBondContact O-N 3.44Å; S194-A196 PolarHBondContact O-N 2.91Å; S194-A196 WeakPolarHBondContact OG-CB 3.45Å; A196-R262 HydrophobicContact CB-CG 3.94Å
197	F	82.5	Confident	86.2	Confident	99 Å²	99	38.5 Å²	38.5	43%	0.434	22%	0.222	S	C	.	.	B	Isolated β-bridge	trans	-110.4	135.1	177.7	-70.1	-86.9	0	0	0	111	G260 H261	F197-G260 PolarHBondContact N-O 3.35Å; F197-H261 WeakPolarHBondContact O-CA 3.02Å; F197-H261 PolarHBondContact O-ND1 2.8Å
198	L	91.9	Very high	86.7	Confident	3 Å²	3	36.8 Å²	36.8	2%	0.016	21%	0.211	C	C	.	.			trans	-62.8	139.4	166.8	-68	176.3	0	0	0	110.1	W138 C179 F183 F202 F203 E266	W138-L198 VanDerWaalsContact CH2-O 3.24Å; W138-L198 WeakPolarHBondContact CH2-O 3.36Å; C179-L198 HydrophobicContact CB-CD1 3.9Å; F183-L198 HydrophobicContact CB-CD2 3.84Å; F183-L198 HydrophobicContact CD2-CD2 3.4Å; F183-L198 HydrophobicContact CE2-CD2 4.07Å; F183-L198 HydrophobicContact CG-CD2 3.67Å; L198-F202 HydrophobicContact CB-CB 4.29Å; L198-F202 HydrophobicContact CB-CD1 4.28Å; L198-F202 HydrophobicContact CB-CG 4.47Å; L198-F202 HydrophobicContact CD1-CD1 3.61Å; L198-F202 HydrophobicContact CD1-CE1 3.75Å; L198-F202 HydrophobicContact CD1-CG 4.49Å; L198-F202 HydrophobicContact CD2-CB 4.37Å; L198-F202 HydrophobicContact CD2-CD1 3.69Å; L198-F202 HydrophobicContact CD2-CD2 4.19Å; L198-F202 HydrophobicContact CD2-CE1 3.89Å; L198-F202 HydrophobicContact CD2-CE2 4.39Å; L198-F202 HydrophobicContact CD2-CG 3.82Å; L198-F202 HydrophobicContact CD2-CZ 4.24Å; L198-F202 HydrophobicContact CG-CD1 4.04Å; L198-F202 HydrophobicContact CG-CE1 4.39Å; L198-F202 HydrophobicContact CG-CG 4.47Å; L198-F203 HydrophobicContact CB-CD2 4.35Å; L198-F203 HydrophobicContact CB-CE2 3.58Å; L198-F203 HydrophobicContact CB-CZ 4Å; L198-F203 HydrophobicContact CD1-CE2 4.42Å; L198-F203 HydrophobicContact CD1-CZ 4.03Å; L198-E266 WeakPolarHBondContact CA-OE1 3.5Å
199	S	95.5	Very high	87.1	Confident	9 Å²	9	35.8 Å²	35.8	6%	0.063	19%	0.188	C	C	.	.			trans	-73.9	163.4	175.6	82.8	0	0	0	0	111.4	G201 F202 F203 E266	S199-G201 PolarHBondContact O-N 2.94Å; S199-G201 WeakPolarHBondContact OG-CA 3.23Å; S199-G201 PolarHBondContact OG-N 3.26Å; S199-F202 WeakPolarHBondContact O-CB 3.44Å; S199-F202 PolarHBondContact O-N 3.16Å; S199-F202 VanDerWaalsContact O-N 3.13Å; S199-F202 PolarHBondContact OG-N 3.44Å; S199-F202 VanDerWaalsContact OG-N 3.16Å; S199-F203 VanDerWaalsContact O-CD2 3.25Å; S199-F203 WeakPolarHBondContact O-CD2 3.45Å; S199-F203 PolarHBondContact O-N 3.41Å; S199-E266 WeakPolarHBondContact CB-OE2 3.45Å; S199-E266 PolarHBondContact N-OE1 3.3Å; S199-E266 PolarHBondContact OG-OE2 2.94Å
200	T	97.8	Very high	87.9	Confident	12 Å²	12	32.1 Å²	32.1	7%	0.074	18%	0.176	C	C	.	.	H	α-helix	trans	-60.8	-30.3	168.3	-55.1	0	0	0	0	111.3	M90 N91 V110 S112 W138 F202 F203 T204	M90-T200 HydrophobicContact CB-CG2 4.08Å; M90-T200 HydrophobicContact CG-CG2 4.03Å; M90-T200 HydrophobicContact SD-CG2 4.21Å; N91-T200 PolarHBondContact ND2-OG1 3.19Å; N91-T200 PolarHBondContact OD1-OG1 2.93Å; V110-T200 HydrophobicContact CB-CG2 4.32Å; V110-T200 HydrophobicContact CG1-CG2 4.01Å; V110-T200 WeakPolarHBondContact O-CG2 3.41Å; S112-T200 WeakPolarHBondContact CB-OG1 3.47Å; W138-T200 PolarHBondContact NE1-OG1 3.18Å; W138-T200 VanDerWaalsContact NE1-OG1 3.13Å; T200-F202 VanDerWaalsContact C-N 3.28Å; T200-F202 PolarHBondContact O-N 3.27Å; T200-F203 PolarHBondContact O-N 3.37Å; T200-T204 VanDerWaalsContact O-CB 3.31Å; T200-T204 WeakPolarHBondContact O-CB 3.48Å; T200-T204 PolarHBondContact O-N 2.87Å; T200-T204 PolarHBondContact O-OG1 3.01Å
201	G	97.9	Very high	88.7	Confident	12 Å²	12	29.9 Å²	29.9	12%	0.124	16%	0.163	C	C	.	.	H	α-helix	trans	-56.8	-41.9	173.4	0	0	0	0	0	112.1	M90 S199 T204 M205	M90-G201 VanDerWaalsContact SD-CA 3.57Å; S199-G201 PolarHBondContact O-N 2.94Å; S199-G201 WeakPolarHBondContact OG-CA 3.23Å; S199-G201 PolarHBondContact OG-N 3.26Å; G201-T204 PolarHBondContact O-N 2.86Å; G201-M205 WeakPolarHBondContact O-CB 3.39Å; G201-M205 PolarHBondContact O-N 3.01Å
202	F	97.8	Very high	89.9	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66	-48.3	-178.9	-164.9	-92.5	0	0	0	112.3	C179 V182 F183 L198 S199 T200 T204 M205 I206 E266 I269 Y270 W273	C179-F202 HydrophobicContact CB-CE1 4.34Å; C179-F202 WeakPolarHBondContact O-CE1 3.29Å; V182-F202 HydrophobicContact CG1-CZ 4.05Å; F183-F202 HydrophobicContact CB-CE1 4.28Å; F183-F202 HydrophobicContact CB-CZ 3.88Å; F183-F202 HydrophobicContact CD2-CE2 4.04Å; F183-F202 HydrophobicContact CD2-CZ 4.17Å; L198-F202 HydrophobicContact CB-CB 4.29Å; L198-F202 HydrophobicContact CB-CD1 4.28Å; L198-F202 HydrophobicContact CB-CG 4.47Å; L198-F202 HydrophobicContact CD1-CD1 3.61Å; L198-F202 HydrophobicContact CD1-CE1 3.75Å; L198-F202 HydrophobicContact CD1-CG 4.49Å; L198-F202 HydrophobicContact CD2-CB 4.37Å; L198-F202 HydrophobicContact CD2-CD1 3.69Å; L198-F202 HydrophobicContact CD2-CD2 4.19Å; L198-F202 HydrophobicContact CD2-CE1 3.89Å; L198-F202 HydrophobicContact CD2-CE2 4.39Å; L198-F202 HydrophobicContact CD2-CG 3.82Å; L198-F202 HydrophobicContact CD2-CZ 4.24Å; L198-F202 HydrophobicContact CG-CD1 4.04Å; L198-F202 HydrophobicContact CG-CE1 4.39Å; L198-F202 HydrophobicContact CG-CG 4.47Å; S199-F202 WeakPolarHBondContact O-CB 3.44Å; S199-F202 PolarHBondContact O-N 3.16Å; S199-F202 VanDerWaalsContact O-N 3.13Å; S199-F202 PolarHBondContact OG-N 3.44Å; S199-F202 VanDerWaalsContact OG-N 3.16Å; T200-F202 VanDerWaalsContact C-N 3.28Å; T200-F202 PolarHBondContact O-N 3.27Å; F202-T204 PolarHBondContact O-N 2.97Å; F202-M205 PolarHBondContact O-N 3.02Å; F202-I206 HydrophobicContact CD1-CD1 3.79Å; F202-I206 HydrophobicContact CE1-CD1 3.42Å; F202-I206 VanDerWaalsContact CE1-CD1 3.42Å; F202-I206 HydrophobicContact CE1-CG1 4.44Å; F202-I206 HydrophobicContact CZ-CD1 4.17Å; F202-I206 PolarHBondContact O-N 3.18Å; F202-I206 VanDerWaalsContact O-N 3.12Å; F202-E266 HydrophobicContact CD2-CB 4.41Å; F202-E266 HydrophobicContact CD2-CG 3.82Å; F202-I269 HydrophobicContact CE2-CD1 3.99Å; F202-I269 HydrophobicContact CE2-CG2 4.36Å; F202-Y270 WeakPolarHBondContact CA-OH 3.41Å; F202-Y270 WeakPolarHBondContact CB-OH 3.31Å; F202-Y270 AromaticContact CD2-CE1 3.76Å; F202-Y270 HydrophobicContact CD2-CE1 3.76Å; F202-Y270 HydrophobicContact CE2-CE1 4.38Å; F202-Y270 PolarHBondContact N-OH 3.24Å; F202-W273 HydrophobicContact CD2-CH2 4.33Å; F202-W273 HydrophobicContact CE1-CH2 4.43Å; F202-W273 AromaticContact CE2-CH2 3.64Å; F202-W273 HydrophobicContact CE2-CH2 3.64Å; F202-W273 HydrophobicContact CE2-CZ2 4.24Å; F202-W273 HydrophobicContact CE2-CZ3 4.43Å; F202-W273 AromaticContact CZ-CH2 3.72Å; F202-W273 HydrophobicContact CZ-CH2 3.72Å; F202-W273 HydrophobicContact CZ-CZ2 4.21Å
203	F	98.3	Very high	91.2	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.026	15%	0.154	C	C	.	.	H	α-helix	trans	-61.3	-35.7	174	-69	-76.8	0	0	0	112.3	W138 I176 C179 L198 S199 T200 L207	W138-F203 AromaticContact CD2-CD2 3.5Å; W138-F203 HydrophobicContact CD2-CD2 3.5Å; W138-F203 AromaticContact CD2-CE2 3.55Å; W138-F203 HydrophobicContact CD2-CE2 3.55Å; W138-F203 HydrophobicContact CD2-CG 4.14Å; W138-F203 HydrophobicContact CD2-CZ 4.22Å; W138-F203 AromaticContact CE2-CD2 3.52Å; W138-F203 AromaticContact CE2-CE2 3.8Å; W138-F203 AromaticContact CE3-CD2 3.79Å; W138-F203 HydrophobicContact CE3-CD2 3.79Å; W138-F203 HydrophobicContact CE3-CE1 4.47Å; W138-F203 AromaticContact CE3-CE2 3.29Å; W138-F203 HydrophobicContact CE3-CE2 3.29Å; W138-F203 AromaticContact CE3-CZ 3.7Å; W138-F203 HydrophobicContact CE3-CZ 3.7Å; W138-F203 AromaticContact CG-CD2 3.98Å; W138-F203 HydrophobicContact CG-CD2 3.98Å; W138-F203 HydrophobicContact CG-CE2 4.37Å; W138-F203 HydrophobicContact CG-CG 4.15Å; W138-F203 HydrophobicContact CH2-CD2 4.11Å; W138-F203 AromaticContact CH2-CE2 3.59Å; W138-F203 HydrophobicContact CH2-CE2 3.59Å; W138-F203 AromaticContact CZ2-CD2 3.84Å; W138-F203 HydrophobicContact CZ2-CD2 3.84Å; W138-F203 AromaticContact CZ2-CE2 3.83Å; W138-F203 HydrophobicContact CZ2-CE2 3.83Å; W138-F203 HydrophobicContact CZ3-CD2 4.09Å; W138-F203 AromaticContact CZ3-CE2 3.32Å; W138-F203 HydrophobicContact CZ3-CE2 3.32Å; W138-F203 AromaticContact CZ3-CZ 3.9Å; W138-F203 HydrophobicContact CZ3-CZ 3.9Å; W138-F203 AromaticContact NE1-CD2 3.96Å; I176-F203 HydrophobicContact CD1-CD1 4.18Å; I176-F203 HydrophobicContact CD1-CE1 3.41Å; I176-F203 VanDerWaalsContact CD1-CE1 3.41Å; I176-F203 HydrophobicContact CD1-CZ 3.8Å; C179-F203 HydrophobicContact CB-CD1 4.1Å; C179-F203 HydrophobicContact CB-CE1 3.61Å; C179-F203 HydrophobicContact CB-CZ 4.37Å; L198-F203 HydrophobicContact CB-CD2 4.35Å; L198-F203 HydrophobicContact CB-CE2 3.58Å; L198-F203 HydrophobicContact CB-CZ 4Å; L198-F203 HydrophobicContact CD1-CE2 4.42Å; L198-F203 HydrophobicContact CD1-CZ 4.03Å; S199-F203 VanDerWaalsContact O-CD2 3.25Å; S199-F203 WeakPolarHBondContact O-CD2 3.45Å; S199-F203 PolarHBondContact O-N 3.41Å; T200-F203 PolarHBondContact O-N 3.37Å; F203-L207 WeakPolarHBondContact O-CB 3.39Å; F203-L207 PolarHBondContact O-N 2.62Å
204	T	98.7	Very high	92.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-70.7	-40.6	179.2	-55	0	0	0	0	111.4	L65 I88 M90 V110 T200 G201 F202 L207 A208	L65-T204 HydrophobicContact CD1-CG2 3.87Å; L65-T204 HydrophobicContact CG-CG2 4.1Å; I88-T204 HydrophobicContact CG2-CG2 3.53Å; M90-T204 HydrophobicContact CG-CG2 4.04Å; M90-T204 WeakPolarHBondContact CG-OG1 3.44Å; M90-T204 HydrophobicContact SD-CG2 4.11Å; M90-T204 PolarHBondContact SD-OG1 2.75Å; M90-T204 VanDerWaalsContact SD-OG1 3.38Å; V110-T204 HydrophobicContact CB-CG2 4.42Å; V110-T204 VanDerWaalsContact CB-OG1 3.28Å; V110-T204 WeakPolarHBondContact CB-OG1 3.41Å; V110-T204 WeakPolarHBondContact CG1-OG1 3.37Å; V110-T204 HydrophobicContact CG2-CG2 3.97Å; T200-T204 VanDerWaalsContact O-CB 3.31Å; T200-T204 WeakPolarHBondContact O-CB 3.48Å; T200-T204 PolarHBondContact O-N 2.87Å; T200-T204 PolarHBondContact O-OG1 3.01Å; G201-T204 PolarHBondContact O-N 2.86Å; F202-T204 PolarHBondContact O-N 2.97Å; T204-L207 PolarHBondContact O-N 3.26Å; T204-A208 VanDerWaalsContact O-CB 3.24Å; T204-A208 WeakPolarHBondContact O-CB 3.36Å; T204-A208 PolarHBondContact O-N 2.54Å
205	M	98.5	Very high	94.4	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	11%	0.113	C	C	.	.	H	α-helix	trans	-64.5	-45.6	178	-171.7	60.1	72.8	0	0	111	L65 G201 F202 L207 A208 M209 V217 Y270 W273 V279 F281	L65-M205 HydrophobicContact CD1-CE 4.11Å; L65-M205 HydrophobicContact CD1-SD 4.4Å; G201-M205 WeakPolarHBondContact O-CB 3.39Å; G201-M205 PolarHBondContact O-N 3.01Å; F202-M205 PolarHBondContact O-N 3.02Å; M205-L207 PolarHBondContact O-N 2.67Å; M205-A208 PolarHBondContact O-N 3.06Å; M205-M209 HydrophobicContact CG-CE 4.3Å; M205-M209 WeakPolarHBondContact O-CG 3.22Å; M205-M209 PolarHBondContact O-N 3.16Å; M205-V217 HydrophobicContact CE-CG2 4.04Å; M205-Y270 HydrophobicContact CB-CD1 4.32Å; M205-Y270 HydrophobicContact CB-CE1 3.99Å; M205-Y270 HydrophobicContact CE-CG 4.36Å; M205-Y270 HydrophobicContact CG-CD1 3.95Å; M205-Y270 HydrophobicContact CG-CE1 4.13Å; M205-W273 HydrophobicContact CB-CZ3 4.1Å; M205-W273 HydrophobicContact CG-CE3 3.65Å; M205-W273 HydrophobicContact CG-CZ3 3.65Å; M205-V279 HydrophobicContact CE-CG1 4.48Å; M205-V279 HydrophobicContact SD-CG1 4.42Å; M205-F281 HydrophobicContact CE-CZ 4.49Å
206	I	98.3	Very high	95.9	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-59	-48.8	174.6	-69.9	174.4	0	0	0	110.8	Y178 C179 V182 F202 A208 M209 D210 W273	Y178-I206 HydrophobicContact CE1-CG2 4.16Å; C179-I206 HydrophobicContact CB-CD1 3.99Å; C179-I206 VanDerWaalsContact SG-CD1 3.58Å; V182-I206 HydrophobicContact CB-CD1 4.47Å; V182-I206 HydrophobicContact CG1-CD1 4.32Å; F202-I206 HydrophobicContact CD1-CD1 3.79Å; F202-I206 HydrophobicContact CE1-CD1 3.42Å; F202-I206 VanDerWaalsContact CE1-CD1 3.42Å; F202-I206 HydrophobicContact CE1-CG1 4.44Å; F202-I206 HydrophobicContact CZ-CD1 4.17Å; F202-I206 PolarHBondContact O-N 3.18Å; F202-I206 VanDerWaalsContact O-N 3.12Å; I206-A208 VanDerWaalsContact C-N 3.33Å; I206-A208 PolarHBondContact O-N 2.68Å; I206-M209 HydrophobicContact CG1-CE 4.34Å; I206-M209 PolarHBondContact O-N 3.13Å; I206-D210 PolarHBondContact O-N 2.82Å; I206-W273 HydrophobicContact CD1-CH2 4.32Å; I206-W273 HydrophobicContact CG1-CH2 3.92Å; I206-W273 HydrophobicContact CG1-CZ3 4.2Å
207	L	98.7	Very high	97	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.005	10%	0.104	C	C	.	.	H	α-helix	trans	-63.6	-38.5	178.5	176.5	55.7	0	0	0	112.3	L41 Y44 L56 L108 V110 V136 F203 T204 M205 M209 D210 I211	L41-L207 HydrophobicContact CD2-CD1 3.63Å; Y44-L207 HydrophobicContact CD1-CD1 4.38Å; Y44-L207 HydrophobicContact CD1-CD2 4.48Å; Y44-L207 HydrophobicContact CD2-CD1 4.44Å; Y44-L207 HydrophobicContact CE1-CB 4.35Å; Y44-L207 HydrophobicContact CE1-CD1 3.86Å; Y44-L207 HydrophobicContact CE1-CD2 3.94Å; Y44-L207 HydrophobicContact CE1-CG 4.27Å; Y44-L207 HydrophobicContact CE2-CD1 3.93Å; L56-L207 HydrophobicContact CD2-CD1 3.92Å; L108-L207 HydrophobicContact CD1-CD2 4.46Å; L108-L207 HydrophobicContact CD2-CD2 3.77Å; L108-L207 HydrophobicContact CD2-CG 4.15Å; V110-L207 HydrophobicContact CG2-CD2 3.93Å; V136-L207 HydrophobicContact CB-CD2 4.21Å; V136-L207 HydrophobicContact CG1-CD2 4.15Å; V136-L207 HydrophobicContact CG2-CD2 3.98Å; F203-L207 WeakPolarHBondContact O-CB 3.39Å; F203-L207 PolarHBondContact O-N 2.62Å; T204-L207 PolarHBondContact O-N 3.26Å; M205-L207 PolarHBondContact O-N 2.67Å; L207-M209 VanDerWaalsContact C-N 3.35Å; L207-D210 PolarHBondContact O-N 3.3Å; L207-I211 HydrophobicContact CD1-CD1 4.43Å; L207-I211 HydrophobicContact CD1-CG2 3.79Å; L207-I211 HydrophobicContact CG-CD1 4.34Å; L207-I211 WeakPolarHBondContact O-CG1 3.36Å; L207-I211 PolarHBondContact O-N 3.24Å
208	A	98.5	Very high	97.8	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-63	-42.8	176.8	0	0	0	0	0	110.8	L65 I88 T204 M205 I206 D210 I211 C212 I215	L65-A208 HydrophobicContact CD1-CB 4.24Å; I88-A208 HydrophobicContact CD1-CB 3.77Å; T204-A208 VanDerWaalsContact O-CB 3.24Å; T204-A208 WeakPolarHBondContact O-CB 3.36Å; T204-A208 PolarHBondContact O-N 2.54Å; M205-A208 PolarHBondContact O-N 3.06Å; I206-A208 VanDerWaalsContact C-N 3.33Å; I206-A208 PolarHBondContact O-N 2.68Å; A208-D210 VanDerWaalsContact C-N 3.27Å; A208-D210 PolarHBondContact O-N 3.3Å; A208-I211 PolarHBondContact O-N 3.03Å; A208-C212 WeakPolarHBondContact O-CA 3.41Å; A208-C212 WeakPolarHBondContact O-CB 3.39Å; A208-C212 PolarHBondContact O-N 3.06Å; A208-C212 PolarHBondContact O-SG 2.51Å; A208-I215 HydrophobicContact CB-CD1 3.61Å; A208-I215 HydrophobicContact CB-CG1 4.19Å
209	M	97.7	Very high	98.1	Very high	47 Å²	47	14.5 Å²	14.5	23%	0.232	8%	0.083	C	C	.	.	H	α-helix	trans	-64.8	-30.8	175.6	-68.8	-173.8	-62.1	0	0	112.7	M205 I206 L207 I215 W273 H277	M205-M209 HydrophobicContact CG-CE 4.3Å; M205-M209 WeakPolarHBondContact O-CG 3.22Å; M205-M209 PolarHBondContact O-N 3.16Å; I206-M209 HydrophobicContact CG1-CE 4.34Å; I206-M209 PolarHBondContact O-N 3.13Å; L207-M209 VanDerWaalsContact C-N 3.35Å; M209-I215 HydrophobicContact CG-CD1 3.88Å; M209-W273 HydrophobicContact CE-CD2 3.92Å; M209-W273 HydrophobicContact CE-CE3 3.38Å; M209-W273 HydrophobicContact CE-CH2 4.15Å; M209-W273 HydrophobicContact CE-CZ3 3.51Å; M209-W273 HydrophobicContact SD-CB 4.49Å; M209-W273 HydrophobicContact SD-CD2 4.36Å; M209-W273 HydrophobicContact SD-CE3 4.02Å; M209-H277 HydrophobicContact SD-CB 4.48Å
210	D	96.8	Very high	98.2	Very high	65 Å²	65	14.6 Å²	14.6	35%	0.348	8%	0.082	S	C	.	.	H	α-helix	trans	-73.2	-25.2	176.6	-73.8	-22.4	0	0	0	113.3	L41 K175 I206 L207 A208	L41-D210 HydrophobicContact CD1-CB 3.94Å; L41-D210 HydrophobicContact CD2-CB 3.7Å; L41-D210 HydrophobicContact CG-CB 4.47Å; K175-D210 IonicContact NZ-OD2 2.67Å; K175-D210 PolarHBondContact NZ-OD2 3.49Å; I206-D210 PolarHBondContact O-N 2.82Å; L207-D210 PolarHBondContact O-N 3.3Å; A208-D210 VanDerWaalsContact C-N 3.27Å; A208-D210 PolarHBondContact O-N 3.3Å
211	I	97.6	Very high	98.1	Very high	2 Å²	2	14 Å²	14	1%	0.01	8%	0.079	C	C	.	.	H	α-helix	trans	-118.3	-12.4	-171.3	74.9	-175.5	0	0	0	114.6	L41 M58 H59 C60 I88 L108 L207 A208	L41-I211 HydrophobicContact CD2-CG2 3.82Å; M58-I211 HydrophobicContact CG-CD1 4.23Å; M58-I211 HydrophobicContact SD-CD1 4.08Å; H59-I211 CarbonylContact C-O 3.55Å; H59-I211 WeakPolarHBondContact CA-O 3.46Å; C60-I211 PolarHBondContact N-O 2.02Å; I88-I211 HydrophobicContact CD1-CD1 4.34Å; L108-I211 HydrophobicContact CD2-CD1 3.49Å; L108-I211 VanDerWaalsContact CD2-CD1 3.49Å; L207-I211 HydrophobicContact CD1-CD1 4.43Å; L207-I211 HydrophobicContact CD1-CG2 3.79Å; L207-I211 HydrophobicContact CG-CD1 4.34Å; L207-I211 WeakPolarHBondContact O-CG1 3.36Å; L207-I211 PolarHBondContact O-N 3.24Å; A208-I211 PolarHBondContact O-N 3.03Å
212	C	98.1	Very high	98	Very high	14 Å²	14	14.4 Å²	14.4	10%	0.095	8%	0.078	C	C	.	.	B	Isolated β-bridge	trans	-115.5	135.5	-172.4	-52.8	0	0	0	0	112.1	C60 C63 A208 S214 I215	C60-C212 CarbonylContact O-C 3.54Å; C60-C212 WeakPolarHBondContact O-CA 3.36Å; C63-C212 HydrophobicContact CB-CB 3.83Å; C63-C212 WeakPolarHBondContact CB-SG 3.31Å; C63-C212 WeakPolarHBondContact SG-CB 3.36Å; C63-C212 CovalentContact SG-SG 2.03Å; C63-C212 PolarHBondContact SG-SG 3.2Å; A208-C212 WeakPolarHBondContact O-CA 3.41Å; A208-C212 WeakPolarHBondContact O-CB 3.39Å; A208-C212 PolarHBondContact O-N 3.06Å; A208-C212 PolarHBondContact O-SG 2.51Å; C212-S214 VanDerWaalsContact C-N 3.3Å; C212-I215 HydrophobicContact CB-CD1 4.4Å; C212-I215 HydrophobicContact CB-CG1 3.74Å
213	D	97.9	Very high	97.9	Very high	77 Å²	77	15.3 Å²	15.3	41%	0.412	8%	0.082	S	C	.	.	S	Bend	trans	-74.6	-25.1	171.2	-51.9	-31.1	0	0	0	111.9	H59 C60 R61 R278	H59-D213 IonicContact CD2-OD1 3.53Å; H59-D213 IonicContact CE1-OD1 2.68Å; H59-D213 IonicContact CE1-OD2 3.59Å; H59-D213 IonicContact NE2-OD1 3.37Å; H59-D213 PolarHBondContact NE2-OD1 2.53Å; H59-D213 IonicContact NE2-OD2 3.53Å; C60-D213 PolarHBondContact O-N 3.2Å; R61-D213 WeakPolarHBondContact CA-OD2 3.07Å; R61-D213 WeakPolarHBondContact O-CB 3.07Å; D213-R278 WeakPolarHBondContact O-CD 3.39Å
214	S	98.4	Very high	97.7	Very high	27 Å²	27	19.5 Å²	19.5	19%	0.189	11%	0.105	C	C	.	.	S	Bend	trans	-153.2	147.7	175.8	55.9	0	0	0	0	111.6	R61 Q62 C63 C212 R278	R61-S214 PolarHBondContact O-N 3.19Å; R61-S214 PolarHBondContact O-OG 2.81Å; Q62-S214 WeakPolarHBondContact CA-O 3.31Å; C63-S214 PolarHBondContact N-O 3.21Å; C212-S214 VanDerWaalsContact C-N 3.3Å; S214-R278 CarbonylContact C-O 3.43Å; S214-R278 WeakPolarHBondContact CA-O 3.47Å
215	I	98.8	Very high	97.5	Very high	4 Å²	4	20.1 Å²	20.1	2%	0.021	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.4	-173	-56.2	163.1	0	0	0	109.1	C63 L65 A208 M209 C212 V217 R278 V279 E280	C63-I215 WeakPolarHBondContact O-CA 3.26Å; L65-I215 HydrophobicContact CB-CG2 4.01Å; L65-I215 HydrophobicContact CD1-CG2 4.48Å; A208-I215 HydrophobicContact CB-CD1 3.61Å; A208-I215 HydrophobicContact CB-CG1 4.19Å; M209-I215 HydrophobicContact CG-CD1 3.88Å; C212-I215 HydrophobicContact CB-CD1 4.4Å; C212-I215 HydrophobicContact CB-CG1 3.74Å; I215-V217 HydrophobicContact CG2-CG2 3.94Å; I215-R278 PolarHBondContact N-O 3.32Å; I215-V279 HydrophobicContact CB-CG1 4.46Å; I215-V279 HydrophobicContact CB-CG2 4.33Å; I215-V279 HydrophobicContact CD1-CG2 4.08Å; I215-V279 CarbonylContact O-C 3.58Å; I215-V279 WeakPolarHBondContact O-CA 3.49Å; I215-E280 PolarHBondContact O-N 3.01Å
216	H	98.7	Very high	97.3	Very high	23 Å²	23	20.3 Å²	20.3	11%	0.106	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	122.6	168.5	-69.9	-159.4	0	0	0	108.5	Q62 C63 A64 L65 M84 Y218 E280 K282	Q62-H216 PolarHBondContact NE2-CE1 3.01Å; Q62-H216 PolarHBondContact NE2-NE2 2.84Å; C63-H216 PolarHBondContact O-N 3.23Å; A64-H216 CarbonylContact C-O 3.6Å; A64-H216 WeakPolarHBondContact CA-O 3.43Å; L65-H216 PolarHBondContact N-O 3.46Å; M84-H216 HydrophobicContact CE-CB 4.35Å; M84-H216 WeakPolarHBondContact CE-ND1 3.44Å; H216-Y218 HydrophobicContact CB-CE2 3.68Å; H216-Y218 WeakPolarHBondContact O-CE2 2.86Å; H216-E280 CarbonylContact C-O 3.06Å; H216-E280 WeakPolarHBondContact CA-O 3.48Å; H216-E280 IonicContact CE1-OE2 2.62Å; H216-E280 IonicContact NE2-OE2 3.02Å; H216-K282 HydrophobicContact CB-CG 3.96Å; H216-K282 WeakPolarHBondContact ND1-CE 3.31Å
217	V	98.8	Very high	97.1	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.6	-175.6	-175.2	0	0	0	0	110	L65 M205 I215 M220 V279 E280 F281 K282 H283	L65-V217 HydrophobicContact CB-CG2 4.44Å; L65-V217 HydrophobicContact CD2-CG1 4.34Å; L65-V217 WeakPolarHBondContact O-CA 3.42Å; M205-V217 HydrophobicContact CE-CG2 4.04Å; I215-V217 HydrophobicContact CG2-CG2 3.94Å; V217-M220 HydrophobicContact CG1-CB 3.84Å; V217-M220 HydrophobicContact CG1-CE 4Å; V217-M220 HydrophobicContact CG1-SD 4.36Å; V217-V279 HydrophobicContact CG2-CG1 3.81Å; V217-E280 PolarHBondContact N-O 3.07Å; V217-F281 HydrophobicContact CB-CD1 3.57Å; V217-F281 HydrophobicContact CB-CE1 3.86Å; V217-F281 HydrophobicContact CB-CG 4.24Å; V217-F281 HydrophobicContact CG1-CD1 3.64Å; V217-F281 HydrophobicContact CG1-CE1 3.71Å; V217-F281 HydrophobicContact CG2-CD1 4.07Å; V217-F281 HydrophobicContact CG2-CE1 3.93Å; V217-F281 HydrophobicContact CG2-CZ 4.39Å; V217-K282 PolarHBondContact O-N 3.39Å; V217-H283 PolarHBondContact O-N 3.26Å
218	Y	98.8	Very high	96.9	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	142.1	178.6	-52.6	-89.6	0	0	0	110.3	A64 L65 V66 S67 L77 E80 I81 H216 K282 H283	A64-Y218 HydrophobicContact CB-CD2 4.15Å; A64-Y218 HydrophobicContact CB-CE2 3.71Å; L65-Y218 PolarHBondContact O-N 3.16Å; V66-Y218 HydrophobicContact CG2-CD2 4.29Å; S67-Y218 WeakPolarHBondContact CB-O 3.25Å; S67-Y218 PolarHBondContact N-O 3.17Å; L77-Y218 HydrophobicContact CD1-CD1 3.74Å; L77-Y218 HydrophobicContact CD1-CE1 4.3Å; E80-Y218 VanDerWaalsContact CD-OH 3.3Å; E80-Y218 HydrophobicContact CG-CE1 4.5Å; E80-Y218 WeakPolarHBondContact CG-OH 3.48Å; E80-Y218 PolarHBondContact OE1-OH 3.06Å; I81-Y218 HydrophobicContact CD1-CG 4.33Å; I81-Y218 HydrophobicContact CG1-CD1 4.42Å; I81-Y218 HydrophobicContact CG1-CD2 4.11Å; I81-Y218 HydrophobicContact CG1-CE1 4.38Å; I81-Y218 HydrophobicContact CG1-CE2 4.08Å; I81-Y218 HydrophobicContact CG1-CG 4.27Å; H216-Y218 HydrophobicContact CB-CE2 3.68Å; H216-Y218 WeakPolarHBondContact O-CE2 2.86Å; Y218-K282 HydrophobicContact CD1-CB 3.67Å; Y218-K282 HydrophobicContact CE1-CB 3.35Å; Y218-K282 HydrophobicContact CE1-CG 3.83Å; Y218-H283 CarbonylContact C-O 3.49Å; Y218-H283 HydrophobicContact CD1-CB 4.09Å
219	G	97.8	Very high	96.5	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.205	C	C	.	.	S	Bend	trans	73.2	38.4	-179	0	0	0	0	0	112.6	S67 S69 M72 H283	S67-G219 WeakPolarHBondContact CB-O 3.37Å; S67-G219 PolarHBondContact OG-O 3.45Å; S69-G219 WeakPolarHBondContact CB-O 3.24Å; M72-G219 WeakPolarHBondContact SD-CA 3.16Å; M72-G219 PolarHBondContact SD-N 2.8Å; G219-H283 WeakPolarHBondContact CA-O 3Å; G219-H283 PolarHBondContact N-O 3.21Å
220	M	97.8	Very high	96.1	Very high	10 Å²	10	39.7 Å²	39.7	5%	0.049	23%	0.229	C	C	.	.			trans	-133.7	118.2	176.7	-158.5	178.2	-66.5	0	0	110.3	L65 V217 Y270 F281 H283 P284 W286	L65-M220 HydrophobicContact CD2-CE 4.46Å; V217-M220 HydrophobicContact CG1-CB 3.84Å; V217-M220 HydrophobicContact CG1-CE 4Å; V217-M220 HydrophobicContact CG1-SD 4.36Å; M220-Y270 HydrophobicContact CE-CE2 4.49Å; M220-Y270 HydrophobicContact SD-CD2 3.7Å; M220-Y270 HydrophobicContact SD-CE2 3.92Å; M220-F281 HydrophobicContact CB-CD1 4.41Å; M220-F281 HydrophobicContact CB-CE1 4.49Å; M220-F281 HydrophobicContact SD-CE1 3.9Å; M220-H283 PolarHBondContact N-O 2.93Å; M220-P284 WeakPolarHBondContact O-CD 3.49Å; M220-W286 HydrophobicContact CB-CZ2 4.31Å; M220-W286 HydrophobicContact CG-CZ2 3.93Å; M220-W286 PolarHBondContact O-NE1 3.41Å; M220-W286 HydrophobicContact SD-CH2 4.37Å; M220-W286 HydrophobicContact SD-CZ2 4.15Å
221	I	97	Very high	95.9	Very high	1 Å²	1	39 Å²	39	1%	0.005	22%	0.224	C	C	.	.			trans	-76.3	152.6	171.3	65.5	176.5	0	0	0	111	Q71 F225 E246 Y250 K267 P284 W286	Q71-I221 HydrophobicContact CG-CG2 3.54Å; I221-F225 HydrophobicContact CB-CB 3.74Å; I221-F225 HydrophobicContact CB-CD1 4.04Å; I221-F225 HydrophobicContact CB-CD2 3.83Å; I221-F225 HydrophobicContact CB-CE2 4.49Å; I221-F225 HydrophobicContact CB-CG 3.61Å; I221-F225 HydrophobicContact CD1-CB 4Å; I221-F225 HydrophobicContact CD1-CD1 3.62Å; I221-F225 HydrophobicContact CD1-CE1 4.34Å; I221-F225 HydrophobicContact CD1-CG 3.96Å; I221-F225 HydrophobicContact CG1-CB 4.17Å; I221-F225 HydrophobicContact CG1-CD1 4.4Å; I221-F225 HydrophobicContact CG1-CG 4.29Å; I221-F225 HydrophobicContact CG2-CB 4.5Å; I221-F225 HydrophobicContact CG2-CD1 3.93Å; I221-F225 HydrophobicContact CG2-CD2 3.78Å; I221-F225 HydrophobicContact CG2-CE1 4.04Å; I221-F225 HydrophobicContact CG2-CE2 3.94Å; I221-F225 HydrophobicContact CG2-CG 3.82Å; I221-F225 HydrophobicContact CG2-CZ 4.06Å; I221-E246 HydrophobicContact CD1-CG 4.15Å; I221-E246 WeakPolarHBondContact CG2-OE2 3.49Å; I221-Y250 HydrophobicContact CD1-CD2 3.82Å; I221-Y250 HydrophobicContact CD1-CE2 3.64Å; I221-Y250 HydrophobicContact CG1-CD2 4.38Å; I221-Y250 HydrophobicContact CG1-CE2 3.81Å; I221-K267 HydrophobicContact CG1-CD 4.4Å; I221-K267 WeakPolarHBondContact O-CD 3.27Å; I221-K267 WeakPolarHBondContact O-CE 3.49Å; I221-P284 HydrophobicContact CG2-CG 4.09Å; I221-W286 VanDerWaalsContact C-CZ2 3.49Å; I221-W286 WeakPolarHBondContact O-CZ2 3.48Å
222	D	96.3	Very high	95.6	Very high	20 Å²	20	41.9 Å²	41.9	11%	0.107	24%	0.244	C	C	.	.			trans	-71	167.4	171.6	64.6	64.7	0	0	0	112.2	N224 F225 R228 W286	D222-N224 VanDerWaalsContact C-N 3.29Å; D222-N224 PolarHBondContact O-N 3.31Å; D222-N224 WeakPolarHBondContact OD1-CA 3.29Å; D222-N224 PolarHBondContact OD1-N 3.14Å; D222-F225 VanDerWaalsContact O-CB 3.31Å; D222-F225 WeakPolarHBondContact O-CB 3.5Å; D222-F225 PolarHBondContact O-N 3.39Å; D222-F225 WeakPolarHBondContact OD1-CA 3.33Å; D222-F225 PolarHBondContact OD1-N 3.11Å; D222-R228 IonicContact OD1-NH2 2.59Å; D222-R228 PolarHBondContact OD1-NH2 2.77Å; D222-R228 IonicContact OD2-CZ 2.77Å; D222-R228 IonicContact OD2-NH2 3.05Å; D222-R228 PolarHBondContact OD2-NH2 3.26Å; D222-W286 HydrophobicContact CB-CD2 3.73Å; D222-W286 HydrophobicContact CB-CE3 4.17Å; D222-W286 HydrophobicContact CB-CG 3.96Å; D222-W286 HydrophobicContact CB-CZ2 4.32Å
223	D	94.5	Very high	95.4	Very high	18 Å²	18	47.1 Å²	47.1	10%	0.096	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-25.1	-178.4	56.2	-46.4	0	0	0	114	I264 K267 A268 R291	D223-I264 HydrophobicContact CB-CG2 3.92Å; D223-I264 WeakPolarHBondContact CB-O 3.29Å; D223-I264 WeakPolarHBondContact O-CG2 3.42Å; D223-K267 HydrophobicContact CB-CB 3.82Å; D223-A268 HydrophobicContact CB-CB 4.19Å; D223-A268 WeakPolarHBondContact OD2-CB 3.47Å; D223-R291 IonicContact OD1-CZ 3.7Å; D223-R291 IonicContact OD1-NH1 3.8Å; D223-R291 PolarHBondContact OD1-NH1 3.39Å; D223-R291 IonicContact OD1-NH2 2.72Å; D223-R291 PolarHBondContact OD1-NH2 3.42Å; D223-R291 IonicContact OD2-CZ 2.79Å; D223-R291 IonicContact OD2-NH1 2.81Å; D223-R291 PolarHBondContact OD2-NH1 3.31Å; D223-R291 IonicContact OD2-NH2 3.9Å
224	N	93.9	Very high	95.2	Very high	94 Å²	94	44 Å²	44	50%	0.503	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-6.3	178.1	-72.5	-24.4	0	0	0	113.1	D222 C226 S227 R228	D222-N224 VanDerWaalsContact C-N 3.29Å; D222-N224 PolarHBondContact O-N 3.31Å; D222-N224 WeakPolarHBondContact OD1-CA 3.29Å; D222-N224 PolarHBondContact OD1-N 3.14Å; N224-C226 VanDerWaalsContact C-N 3.35Å; N224-C226 PolarHBondContact O-N 3.14Å; N224-S227 WeakPolarHBondContact O-CB 3.42Å; N224-S227 PolarHBondContact O-N 3.49Å; N224-R228 PolarHBondContact O-N 3.12Å
225	F	95.3	Very high	95.1	Very high	14 Å²	14	43.2 Å²	43.2	6%	0.061	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-53.8	-51	-172.8	-179.4	-79.5	0	0	0	112.3	I221 D222 S227 R228 H231 S232	I221-F225 HydrophobicContact CB-CB 3.74Å; I221-F225 HydrophobicContact CB-CD1 4.04Å; I221-F225 HydrophobicContact CB-CD2 3.83Å; I221-F225 HydrophobicContact CB-CE2 4.49Å; I221-F225 HydrophobicContact CB-CG 3.61Å; I221-F225 HydrophobicContact CD1-CB 4Å; I221-F225 HydrophobicContact CD1-CD1 3.62Å; I221-F225 HydrophobicContact CD1-CE1 4.34Å; I221-F225 HydrophobicContact CD1-CG 3.96Å; I221-F225 HydrophobicContact CG1-CB 4.17Å; I221-F225 HydrophobicContact CG1-CD1 4.4Å; I221-F225 HydrophobicContact CG1-CG 4.29Å; I221-F225 HydrophobicContact CG2-CB 4.5Å; I221-F225 HydrophobicContact CG2-CD1 3.93Å; I221-F225 HydrophobicContact CG2-CD2 3.78Å; I221-F225 HydrophobicContact CG2-CE1 4.04Å; I221-F225 HydrophobicContact CG2-CE2 3.94Å; I221-F225 HydrophobicContact CG2-CG 3.82Å; I221-F225 HydrophobicContact CG2-CZ 4.06Å; D222-F225 VanDerWaalsContact O-CB 3.31Å; D222-F225 WeakPolarHBondContact O-CB 3.5Å; D222-F225 PolarHBondContact O-N 3.39Å; D222-F225 WeakPolarHBondContact OD1-CA 3.33Å; D222-F225 PolarHBondContact OD1-N 3.11Å; F225-S227 PolarHBondContact O-N 3.28Å; F225-S227 VanDerWaalsContact O-N 3.16Å; F225-R228 PolarHBondContact O-N 3.28Å; F225-H231 HydrophobicContact CD1-CB 3.95Å; F225-H231 HydrophobicContact CE1-CB 3.65Å; F225-H231 AromaticContact CE1-CD2 3.96Å; F225-H231 HydrophobicContact CZ-CB 3.98Å; F225-H231 VanDerWaalsContact O-CB 3.31Å; F225-H231 WeakPolarHBondContact O-CB 3.39Å; F225-S232 WeakPolarHBondContact CZ-OG 3.17Å
226	C	94.9	Very high	95	Very high	6 Å²	6	45.2 Å²	45.2	4%	0.041	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-69.2	-12.9	-178.4	-62.9	0	0	0	0	113.4	N224 C247 R251	N224-C226 VanDerWaalsContact C-N 3.35Å; N224-C226 PolarHBondContact O-N 3.14Å; C226-C247 WeakPolarHBondContact CA-SG 3.14Å; C226-C247 HydrophobicContact CB-CB 3.7Å; C226-C247 WeakPolarHBondContact CB-SG 3.5Å; C226-C247 WeakPolarHBondContact SG-CA 3.39Å; C226-C247 WeakPolarHBondContact SG-CB 3.49Å; C226-C247 CovalentContact SG-SG 2.04Å; C226-C247 PolarHBondContact SG-SG 3.14Å; C226-R251 PolarHBondContact O-NH2 3.08Å
227	S	93.4	Very high	94.9	Very high	100 Å²	100	45.4 Å²	45.4	70%	0.699	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-90.9	-14.8	178.6	-59.5	0	0	0	0	112.8	N224 F225	N224-S227 WeakPolarHBondContact O-CB 3.42Å; N224-S227 PolarHBondContact O-N 3.49Å; F225-S227 PolarHBondContact O-N 3.28Å; F225-S227 VanDerWaalsContact O-N 3.16Å
228	R	94.2	Very high	94.8	Very high	108 Å²	108	45.5 Å²	45.5	41%	0.408	26%	0.264	S	S	.	.	S	Bend	trans	-68.7	142.7	176.9	-70.3	-177.7	-80.7	-158.2	-23.3	111.1	D222 N224 F225 D230 H231	D222-R228 IonicContact OD1-NH2 2.59Å; D222-R228 PolarHBondContact OD1-NH2 2.77Å; D222-R228 IonicContact OD2-CZ 2.77Å; D222-R228 IonicContact OD2-NH2 3.05Å; D222-R228 PolarHBondContact OD2-NH2 3.26Å; N224-R228 PolarHBondContact O-N 3.12Å; F225-R228 PolarHBondContact O-N 3.28Å; R228-D230 VanDerWaalsContact C-N 3.28Å; R228-D230 PolarHBondContact O-N 2.99Å; R228-H231 HydrophobicContact CB-CB 4.37Å; R228-H231 PolarHBondContact O-ND1 3.46Å
229	A	89.9	Confident	94.6	Very high	111 Å²	111	47 Å²	47	92%	0.917	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-27.9	-178.1	0	0	0	0	0	113.2
230	D	90.3	Very high	94.1	Very high	139 Å²	139	50.9 Å²	50.9	74%	0.743	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	16.2	-171.3	64.5	-26.7	0	0	0	113.5	R228	R228-D230 VanDerWaalsContact C-N 3.28Å; R228-D230 PolarHBondContact O-N 2.99Å
231	H	92.3	Very high	93	Very high	51 Å²	51	53 Å²	53	24%	0.236	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-63	142.5	-179.3	70.6	-88.9	0	0	0	112.1	F225 R228	F225-H231 HydrophobicContact CD1-CB 3.95Å; F225-H231 HydrophobicContact CE1-CB 3.65Å; F225-H231 AromaticContact CE1-CD2 3.96Å; F225-H231 HydrophobicContact CZ-CB 3.98Å; F225-H231 VanDerWaalsContact O-CB 3.31Å; F225-H231 WeakPolarHBondContact O-CB 3.39Å; R228-H231 HydrophobicContact CB-CB 4.37Å; R228-H231 PolarHBondContact O-ND1 3.46Å
232	S	91.7	Very high	92	Very high	63 Å²	63	58.4 Å²	58.4	44%	0.441	35%	0.35	S	S	.	.	P	Polyproline II helix	trans	-69.4	146.6	174.5	61.9	0	0	0	0	111.2	F225	F225-S232 WeakPolarHBondContact CZ-OG 3.17Å
233	V	92.4	Very high	91.2	Very high	123 Å²	123	68.5 Å²	68.5	75%	0.745	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-94.9	121.6	174.6	-178.3	0	0	0	0	108.9	D245	V233-D245 HydrophobicContact CG1-CB 4.23Å
234	A	94.8	Very high	90.9	Very high	11 Å²	11	69.8 Å²	69.8	9%	0.091	39%	0.392	C	S	.	.			trans	-124.7	151.1	173.9	0	0	0	0	0	110.3	Q71 E246	Q71-A234 HydrophobicContact CG-CB 4.45Å; A234-E246 PolarHBondContact O-N 2.97Å
235	P	96.4	Very high	90.9	Very high	12 Å²	12	68 Å²	68	8%	0.078	38%	0.383	C	S	.	.	B	Isolated β-bridge	trans	-62.2	157	169.5	28	-33.4	0	0	0	110.3	G70 H237	G70-P235 WeakPolarHBondContact CA-O 3.42Å; G70-P235 PolarHBondContact N-O 2.82Å; P235-H237 VanDerWaalsContact C-N 3.27Å; P235-H237 PolarHBondContact O-N 2.66Å
236	Y	95.8	Very high	90.9	Very high	45 Å²	45	67.3 Å²	67.3	18%	0.176	38%	0.38	C	S	.	.	S	Bend	trans	-59	-39.7	179.5	176.5	-133.2	0	0	0	112.8	M244 M249 Y250 F263	Y236-M244 PolarHBondContact N-O 3.41Å; Y236-M249 HydrophobicContact CD1-CB 4.45Å; Y236-M249 HydrophobicContact CD1-CE 3.66Å; Y236-M249 HydrophobicContact CD1-CG 3.83Å; Y236-M249 HydrophobicContact CD2-CB 3.88Å; Y236-M249 HydrophobicContact CD2-CG 3.67Å; Y236-M249 HydrophobicContact CE1-CE 3.88Å; Y236-M249 HydrophobicContact CE1-CG 3.8Å; Y236-M249 HydrophobicContact CE1-SD 4.41Å; Y236-M249 HydrophobicContact CE2-CB 4.35Å; Y236-M249 HydrophobicContact CE2-CG 3.7Å; Y236-M249 HydrophobicContact CG-CB 3.95Å; Y236-M249 HydrophobicContact CG-CE 4.3Å; Y236-M249 HydrophobicContact CG-CG 3.75Å; Y236-Y250 HydrophobicContact CD2-CE1 4.15Å; Y236-Y250 HydrophobicContact CE2-CD1 4.2Å; Y236-Y250 AromaticContact CE2-CE1 3.57Å; Y236-Y250 HydrophobicContact CE2-CE1 3.57Å; Y236-F263 WeakPolarHBondContact OH-CZ 3.08Å
237	H	97	Very high	91	Very high	28 Å²	28	67.4 Å²	67.4	13%	0.13	38%	0.38	C	S	.	.	S	Bend	trans	-123.1	145.5	173.7	-63.5	140.3	0	0	0	111.9	S68 P235 Y239 E240	S68-H237 VanDerWaalsContact CB-CD2 3.45Å; S68-H237 WeakPolarHBondContact CB-CD2 3.27Å; S68-H237 CarbonylContact O-C 3.06Å; S68-H237 WeakPolarHBondContact O-CA 3.34Å; P235-H237 VanDerWaalsContact C-N 3.27Å; P235-H237 PolarHBondContact O-N 2.66Å; H237-Y239 HydrophobicContact CB-CD1 4.05Å; H237-Y239 HydrophobicContact CB-CE1 3.77Å; H237-Y239 HydrophobicContact CB-CE2 4.36Å; H237-Y239 AromaticContact CG-CZ 3.87Å; H237-Y239 AromaticContact ND1-CZ 3.91Å; H237-Y239 PolarHBondContact O-N 3.44Å; H237-E240 HydrophobicContact CB-CB 4.13Å; H237-E240 HydrophobicContact CB-CG 4.1Å; H237-E240 IonicContact CE1-OE2 3.1Å; H237-E240 IonicContact CG-OE2 3.88Å; H237-E240 IonicContact ND1-OE1 3.51Å; H237-E240 PolarHBondContact ND1-OE1 3.23Å; H237-E240 IonicContact ND1-OE2 2.76Å; H237-E240 PolarHBondContact ND1-OE2 3.06Å; H237-E240 PolarHBondContact O-N 2.84Å
238	Y	97	Very high	91	Very high	2 Å²	2	68.9 Å²	68.9	1%	0.008	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-21.2	178.2	64.1	-105.2	0	0	0	113.9	S68 S69 M72 Q73 A93 P94 Y98 V102	S68-Y238 VanDerWaalsContact O-CD1 3.23Å; S68-Y238 WeakPolarHBondContact O-CD1 3.44Å; S68-Y238 PolarHBondContact O-N 3.4Å; S69-Y238 WeakPolarHBondContact O-CB 3.33Å; M72-Y238 HydrophobicContact CB-CD1 4.07Å; M72-Y238 HydrophobicContact CB-CG 4.32Å; M72-Y238 HydrophobicContact CG-CD1 4.31Å; Q73-Y238 PolarHBondContact NE2-O 3.27Å; A93-Y238 HydrophobicContact CB-CE1 4.23Å; A93-Y238 WeakPolarHBondContact CB-OH 3.46Å; P94-Y238 HydrophobicContact CG-CE2 4.49Å; P94-Y238 VanDerWaalsContact O-CE2 3.3Å; P94-Y238 WeakPolarHBondContact O-CE2 3.32Å; P94-Y238 PolarHBondContact O-OH 2.86Å; Y98-Y238 AromaticContact CD1-CD2 3.72Å; Y98-Y238 HydrophobicContact CD1-CD2 3.72Å; Y98-Y238 HydrophobicContact CD1-CE2 4.23Å; Y98-Y238 HydrophobicContact CD2-CD2 4.31Å; Y98-Y238 HydrophobicContact CD2-CE2 4.07Å; Y98-Y238 HydrophobicContact CE1-CD2 4.15Å; Y98-Y238 VanDerWaalsContact CE1-O 3.22Å; Y98-Y238 WeakPolarHBondContact CE1-O 3.27Å; Y98-Y238 AromaticContact CG-CD2 3.81Å; Y98-Y238 HydrophobicContact CG-CD2 3.81Å; Y98-Y238 AromaticContact CG-CE2 3.84Å; Y98-Y238 HydrophobicContact CG-CE2 3.84Å; V102-Y238 HydrophobicContact CG1-CD1 4.16Å; V102-Y238 HydrophobicContact CG1-CD2 4.3Å; V102-Y238 HydrophobicContact CG1-CE1 3.96Å; V102-Y238 HydrophobicContact CG1-CE2 4.11Å; V102-Y238 HydrophobicContact CG1-CG 4.34Å; V102-Y238 HydrophobicContact CG2-CE2 4.38Å
239	Y	94.7	Very high	91.1	Very high	31 Å²	31	65.1 Å²	65.1	12%	0.122	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-0.2	-174	60	-91.4	0	0	0	113.9	A93 P94 Y98 H237	A93-Y239 VanDerWaalsContact CA-CE1 3.5Å; A93-Y239 HydrophobicContact CB-CD1 4.2Å; A93-Y239 HydrophobicContact CB-CE1 3.63Å; P94-Y239 VanDerWaalsContact CD-CD1 3.43Å; P94-Y239 HydrophobicContact CG-CD1 4.4Å; P94-Y239 HydrophobicContact CG-CD2 4.33Å; P94-Y239 HydrophobicContact CG-CG 3.87Å; Y98-Y239 WeakPolarHBondContact OH-CA 3.47Å; H237-Y239 HydrophobicContact CB-CD1 4.05Å; H237-Y239 HydrophobicContact CB-CE1 3.77Å; H237-Y239 HydrophobicContact CB-CE2 4.36Å; H237-Y239 AromaticContact CG-CZ 3.87Å; H237-Y239 AromaticContact ND1-CZ 3.91Å; H237-Y239 PolarHBondContact O-N 3.44Å
240	E	85.8	Confident	91.3	Very high	82 Å²	82	60.6 Å²	60.6	38%	0.383	32%	0.317	S	S	.	.	S	Bend	trans	-109	135.4	172.9	-63.4	174.7	174.6	0	0	106.5	H237	H237-E240 HydrophobicContact CB-CB 4.13Å; H237-E240 HydrophobicContact CB-CG 4.1Å; H237-E240 IonicContact CE1-OE2 3.1Å; H237-E240 IonicContact CG-OE2 3.88Å; H237-E240 IonicContact ND1-OE1 3.51Å; H237-E240 PolarHBondContact ND1-OE1 3.23Å; H237-E240 IonicContact ND1-OE2 2.76Å; H237-E240 PolarHBondContact ND1-OE2 3.06Å; H237-E240 PolarHBondContact O-N 2.84Å
241	G	75.5	Confident	91.6	Very high	55 Å²	55	59 Å²	59	57%	0.567	30%	0.301	S	S	*	.			trans	-58.1	175.1	174.8	0	0	0	0	0	111.8	R243	G241-R243 PolarHBondContact O-N 3.43Å
242	S	76.4	Confident	91.6	Very high	113 Å²	113	61.1 Å²	61.1	79%	0.79	31%	0.312	S	S	*	.	S	Bend	trans	-69.2	44.5	-172.9	-47.3	0	0	0	0	115.9
243	R	79.1	Confident	91.7	Very high	232 Å²	232	60.5 Å²	60.5	88%	0.875	30%	0.302	S	S	*	.	S	Bend	trans	-69.5	-32.4	178.3	-70.1	-176	172.8	179	-2	112.9	G241	G241-R243 PolarHBondContact O-N 3.43Å
244	M	89	Confident	91.8	Very high	46 Å²	46	55.9 Å²	55.9	23%	0.227	27%	0.272	C	S	.	.	S	Bend	trans	-148.9	133	179.2	-173.2	70.4	74.1	0	0	108.6	Y236 R248 M249 M252	Y236-M244 PolarHBondContact N-O 3.41Å; M244-R248 HydrophobicContact SD-CB 4.23Å; M244-R248 HydrophobicContact SD-CG 3.89Å; M244-R248 PolarHBondContact SD-NH1 3.27Å; M244-M249 HydrophobicContact CB-CE 4.47Å; M244-M249 HydrophobicContact CG-CB 3.98Å; M244-M249 HydrophobicContact CG-CE 3.96Å; M244-M252 HydrophobicContact CE-CE 4.12Å
245	D	92.8	Very high	91.6	Very high	55 Å²	55	62.5 Å²	62.5	29%	0.294	30%	0.301	S	S	.	.	B	Isolated β-bridge	trans	-76.9	148.8	172.3	66.4	98.9	0	0	0	111.4	V233 C247 R248 M249	V233-D245 HydrophobicContact CG1-CB 4.23Å; D245-C247 PolarHBondContact O-N 3.48Å; D245-R248 PolarHBondContact O-N 3.46Å; D245-R248 WeakPolarHBondContact OD1-CA 3.45Å; D245-R248 WeakPolarHBondContact OD1-CB 3.47Å; D245-R248 PolarHBondContact OD1-N 3.09Å; D245-R248 WeakPolarHBondContact OD2-CB 3.44Å; D245-R248 VanDerWaalsContact OD2-CD 3.31Å; D245-R248 WeakPolarHBondContact OD2-CD 3.31Å; D245-M249 PolarHBondContact O-N 2.75Å; D245-M249 VanDerWaalsContact O-N 3.1Å
246	E	95.6	Very high	91.2	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-56.9	-48.2	-176.5	-179.8	176.1	-134.3	0	0	112.2	S69 Q71 I221 A234 M249 Y250	S69-E246 VanDerWaalsContact CB-OE1 3.29Å; S69-E246 WeakPolarHBondContact CB-OE1 3.33Å; S69-E246 VanDerWaalsContact OG-CD 3.32Å; S69-E246 PolarHBondContact OG-OE1 2.93Å; Q71-E246 WeakPolarHBondContact CG-OE2 3.44Å; Q71-E246 PolarHBondContact NE2-OE2 3.06Å; I221-E246 HydrophobicContact CD1-CG 4.15Å; I221-E246 WeakPolarHBondContact CG2-OE2 3.49Å; A234-E246 PolarHBondContact O-N 2.97Å; E246-M249 WeakPolarHBondContact O-CB 3.26Å; E246-M249 PolarHBondContact O-N 3.2Å; E246-Y250 HydrophobicContact CG-CD2 4.05Å; E246-Y250 HydrophobicContact CG-CE1 4.5Å; E246-Y250 HydrophobicContact CG-CE2 3.58Å; E246-Y250 PolarHBondContact O-N 3.01Å; E246-Y250 PolarHBondContact OE1-OH 3.08Å
247	C	96.2	Very high	90.5	Very high	7 Å²	7	66.2 Å²	66.2	5%	0.047	34%	0.336	C	S	.	.	H	α-helix	trans	-67.9	-39.6	-175.9	-78	0	0	0	0	113.2	C226 D245 Y250 R251	C226-C247 WeakPolarHBondContact CA-SG 3.14Å; C226-C247 HydrophobicContact CB-CB 3.7Å; C226-C247 WeakPolarHBondContact CB-SG 3.5Å; C226-C247 WeakPolarHBondContact SG-CA 3.39Å; C226-C247 WeakPolarHBondContact SG-CB 3.49Å; C226-C247 CovalentContact SG-SG 2.04Å; C226-C247 PolarHBondContact SG-SG 3.14Å; D245-C247 PolarHBondContact O-N 3.48Å; C247-Y250 PolarHBondContact O-N 3.32Å; C247-R251 WeakPolarHBondContact O-CG 3.47Å; C247-R251 PolarHBondContact O-N 3.18Å
248	R	94.8	Very high	89.7	Confident	131 Å²	131	75.1 Å²	75.1	49%	0.494	37%	0.368	S	S	.	.	H	α-helix	trans	-64.5	-42.1	174.1	-175.8	175.1	-179.3	-128.4	2.3	111.7	M244 D245 Y250 M252	M244-R248 HydrophobicContact SD-CB 4.23Å; M244-R248 HydrophobicContact SD-CG 3.89Å; M244-R248 PolarHBondContact SD-NH1 3.27Å; D245-R248 PolarHBondContact O-N 3.46Å; D245-R248 WeakPolarHBondContact OD1-CA 3.45Å; D245-R248 WeakPolarHBondContact OD1-CB 3.47Å; D245-R248 PolarHBondContact OD1-N 3.09Å; D245-R248 WeakPolarHBondContact OD2-CB 3.44Å; D245-R248 VanDerWaalsContact OD2-CD 3.31Å; D245-R248 WeakPolarHBondContact OD2-CD 3.31Å; R248-Y250 VanDerWaalsContact C-N 3.32Å; R248-Y250 PolarHBondContact O-N 3.41Å; R248-M252 VanDerWaalsContact O-CB 3.23Å; R248-M252 WeakPolarHBondContact O-CB 3.31Å; R248-M252 PolarHBondContact O-N 2.87Å
249	M	94.9	Very high	88.9	Confident	30 Å²	30	77.1 Å²	77.1	15%	0.148	39%	0.389	C	S	.	.	H	α-helix	trans	-58	-47.9	174.2	-178.6	60.5	84.8	0	0	110.7	Y236 M244 D245 E246 M252 H253	Y236-M249 HydrophobicContact CD1-CB 4.45Å; Y236-M249 HydrophobicContact CD1-CE 3.66Å; Y236-M249 HydrophobicContact CD1-CG 3.83Å; Y236-M249 HydrophobicContact CD2-CB 3.88Å; Y236-M249 HydrophobicContact CD2-CG 3.67Å; Y236-M249 HydrophobicContact CE1-CE 3.88Å; Y236-M249 HydrophobicContact CE1-CG 3.8Å; Y236-M249 HydrophobicContact CE1-SD 4.41Å; Y236-M249 HydrophobicContact CE2-CB 4.35Å; Y236-M249 HydrophobicContact CE2-CG 3.7Å; Y236-M249 HydrophobicContact CG-CB 3.95Å; Y236-M249 HydrophobicContact CG-CE 4.3Å; Y236-M249 HydrophobicContact CG-CG 3.75Å; M244-M249 HydrophobicContact CB-CE 4.47Å; M244-M249 HydrophobicContact CG-CB 3.98Å; M244-M249 HydrophobicContact CG-CE 3.96Å; D245-M249 PolarHBondContact O-N 2.75Å; D245-M249 VanDerWaalsContact O-N 3.1Å; E246-M249 WeakPolarHBondContact O-CB 3.26Å; E246-M249 PolarHBondContact O-N 3.2Å; M249-M252 PolarHBondContact O-N 3.43Å; M249-H253 PolarHBondContact O-CD2 2.74Å; M249-H253 PolarHBondContact O-N 3.1Å; M249-H253 VanDerWaalsContact O-N 3.07Å; M249-H253 PolarHBondContact SD-CD2 2.78Å; M249-H253 PolarHBondContact SD-NE2 3.43Å; M249-H253 VanDerWaalsContact SD-NE2 3.41Å
250	Y	95.4	Very high	88.5	Confident	15 Å²	15	75.7 Å²	75.7	6%	0.059	38%	0.384	C	S	.	.	H	α-helix	trans	-63.2	-50.1	180	-70.8	-9.5	0	0	0	112.9	I221 Y236 E246 C247 R248 M252 H253 E254 F263 K267	I221-Y250 HydrophobicContact CD1-CD2 3.82Å; I221-Y250 HydrophobicContact CD1-CE2 3.64Å; I221-Y250 HydrophobicContact CG1-CD2 4.38Å; I221-Y250 HydrophobicContact CG1-CE2 3.81Å; Y236-Y250 HydrophobicContact CD2-CE1 4.15Å; Y236-Y250 HydrophobicContact CE2-CD1 4.2Å; Y236-Y250 AromaticContact CE2-CE1 3.57Å; Y236-Y250 HydrophobicContact CE2-CE1 3.57Å; E246-Y250 HydrophobicContact CG-CD2 4.05Å; E246-Y250 HydrophobicContact CG-CE1 4.5Å; E246-Y250 HydrophobicContact CG-CE2 3.58Å; E246-Y250 PolarHBondContact O-N 3.01Å; E246-Y250 PolarHBondContact OE1-OH 3.08Å; C247-Y250 PolarHBondContact O-N 3.32Å; R248-Y250 VanDerWaalsContact C-N 3.32Å; R248-Y250 PolarHBondContact O-N 3.41Å; Y250-M252 VanDerWaalsContact C-N 3.32Å; Y250-M252 PolarHBondContact O-N 3.07Å; Y250-H253 PolarHBondContact O-N 3.31Å; Y250-E254 VanDerWaalsContact O-CB 3.25Å; Y250-E254 WeakPolarHBondContact O-CB 3.49Å; Y250-E254 PolarHBondContact O-N 3.27Å; Y250-F263 HydrophobicContact CD1-CB 3.76Å; Y250-F263 HydrophobicContact CD1-CD1 4.46Å; Y250-F263 AromaticContact CD1-CD2 3.4Å; Y250-F263 HydrophobicContact CD1-CD2 3.4Å; Y250-F263 AromaticContact CD1-CE2 3.97Å; Y250-F263 HydrophobicContact CD1-CE2 3.97Å; Y250-F263 AromaticContact CD1-CG 3.65Å; Y250-F263 HydrophobicContact CD1-CG 3.65Å; Y250-F263 HydrophobicContact CE1-CB 4.11Å; Y250-F263 HydrophobicContact CE1-CD1 4.24Å; Y250-F263 AromaticContact CE1-CD2 3.92Å; Y250-F263 HydrophobicContact CE1-CD2 3.92Å; Y250-F263 HydrophobicContact CE1-CE2 4.28Å; Y250-F263 AromaticContact CE1-CG 3.86Å; Y250-F263 HydrophobicContact CE1-CG 3.86Å; Y250-F263 HydrophobicContact CG-CB 4.02Å; Y250-F263 HydrophobicContact CG-CD2 4.26Å; Y250-F263 HydrophobicContact CG-CG 4.4Å; Y250-K267 VanDerWaalsContact CE2-CE 3.5Å; Y250-K267 PolarHBondContact OH-NZ 3.17Å
251	R	95.2	Very high	88.7	Confident	106 Å²	106	74 Å²	74	40%	0.4	38%	0.376	S	S	.	.	H	α-helix	trans	-61.8	-39.7	178.8	-68.2	-176.9	-161.9	134.7	-3.6	112.1	C226 C247 E254 H255 I264	C226-R251 PolarHBondContact O-NH2 3.08Å; C247-R251 WeakPolarHBondContact O-CG 3.47Å; C247-R251 PolarHBondContact O-N 3.18Å; R251-E254 PolarHBondContact O-N 2.95Å; R251-H255 PolarHBondContact O-N 3.35Å; R251-H255 PolarHBondContact O-ND1 2.88Å; R251-I264 HydrophobicContact CG-CD1 4.48Å
252	M	93.9	Very high	89.5	Confident	95 Å²	95	73.1 Å²	73.1	47%	0.468	36%	0.355	S	S	.	.	H	α-helix	trans	-61.8	-47.1	178	-176	-172.1	-56.5	0	0	111.5	M244 R248 M249 Y250 A256	M244-M252 HydrophobicContact CE-CE 4.12Å; R248-M252 VanDerWaalsContact O-CB 3.23Å; R248-M252 WeakPolarHBondContact O-CB 3.31Å; R248-M252 PolarHBondContact O-N 2.87Å; M249-M252 PolarHBondContact O-N 3.43Å; Y250-M252 VanDerWaalsContact C-N 3.32Å; Y250-M252 PolarHBondContact O-N 3.07Å; M252-A256 WeakPolarHBondContact O-CB 3.22Å; M252-A256 PolarHBondContact O-N 3.38Å
253	H	93.8	Very high	90.4	Very high	50 Å²	50	68.3 Å²	68.3	23%	0.231	32%	0.321	C	S	.	.	H	α-helix	trans	-71	-39.2	178.8	-84.6	-104	0	0	0	112.3	M249 Y250 H255 A256 H261 R262 F263	M249-H253 PolarHBondContact O-CD2 2.74Å; M249-H253 PolarHBondContact O-N 3.1Å; M249-H253 VanDerWaalsContact O-N 3.07Å; M249-H253 PolarHBondContact SD-CD2 2.78Å; M249-H253 PolarHBondContact SD-NE2 3.43Å; M249-H253 VanDerWaalsContact SD-NE2 3.41Å; Y250-H253 PolarHBondContact O-N 3.31Å; H253-H255 VanDerWaalsContact C-N 3.31Å; H253-H255 PolarHBondContact O-N 3.29Å; H253-A256 PolarHBondContact O-N 3.36Å; H253-H261 CarbonylContact C-O 3.59Å; H253-H261 HydrophobicContact CB-CB 4.39Å; H253-H261 AromaticContact ND1-CD2 3.66Å; H253-H261 PolarHBondContact ND1-N 2.93Å; H253-R262 PolarHBondContact O-NH1 2.98Å; H253-F263 HydrophobicContact CB-CD2 3.69Å; H253-F263 HydrophobicContact CB-CE2 3.64Å; H253-F263 AromaticContact CG-CE2 3.71Å
254	E	93.3	Very high	91.2	Very high	27 Å²	27	59.2 Å²	59.2	13%	0.126	29%	0.289	C	S	.	.	H	α-helix	trans	-57.2	-45.3	-179.7	-169	66.7	-154.6	0	0	111.2	Y250 R251 H261 R262 F263 I264 T265	Y250-E254 VanDerWaalsContact O-CB 3.25Å; Y250-E254 WeakPolarHBondContact O-CB 3.49Å; Y250-E254 PolarHBondContact O-N 3.27Å; R251-E254 PolarHBondContact O-N 2.95Å; E254-H261 PolarHBondContact N-O 2.9Å; E254-R262 PolarHBondContact O-NH1 2.95Å; E254-R262 WeakPolarHBondContact OE2-CA 3.42Å; E254-F263 PolarHBondContact OE2-N 3.13Å; E254-I264 HydrophobicContact CB-CD1 4.25Å; E254-I264 HydrophobicContact CB-CG1 4.49Å; E254-I264 HydrophobicContact CG-CB 4.09Å; E254-I264 HydrophobicContact CG-CD1 4.17Å; E254-I264 HydrophobicContact CG-CG1 4.33Å; E254-I264 WeakPolarHBondContact OE2-CB 3.49Å; E254-I264 PolarHBondContact OE2-N 2.81Å; E254-T265 WeakPolarHBondContact OE1-CB 3.5Å; E254-T265 PolarHBondContact OE1-N 2.93Å; E254-T265 PolarHBondContact OE1-OG1 2.59Å; E254-T265 PolarHBondContact OE2-N 3.29Å
255	H	90.1	Very high	91.4	Very high	150 Å²	150	59 Å²	59	69%	0.694	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92	-1.9	-176.1	-59.7	91.2	0	0	0	114	R251 H253 S257	R251-H255 PolarHBondContact O-N 3.35Å; R251-H255 PolarHBondContact O-ND1 2.88Å; H253-H255 VanDerWaalsContact C-N 3.31Å; H253-H255 PolarHBondContact O-N 3.29Å; H255-S257 PolarHBondContact O-N 3.11Å
256	A	88.5	Confident	91.6	Very high	29 Å²	29	56.5 Å²	56.5	24%	0.24	28%	0.277	C	S	.	.			trans	-63.3	128.9	179.3	0	0	0	0	0	110.8	M252 H253 R258 R262	M252-A256 WeakPolarHBondContact O-CB 3.22Å; M252-A256 PolarHBondContact O-N 3.38Å; H253-A256 PolarHBondContact O-N 3.36Å; A256-R258 VanDerWaalsContact C-N 3.31Å; A256-R258 PolarHBondContact O-N 2.94Å; A256-R262 PolarHBondContact O-NH1 2.77Å; A256-R262 PolarHBondContact O-NH2 3.12Å
257	S	81.4	Confident	91.6	Very high	106 Å²	106	56.9 Å²	56.9	74%	0.741	28%	0.278	S	S	*	.	S	Bend	trans	-67.9	-28.5	-178	58.3	0	0	0	0	113.1	H255	H255-S257 PolarHBondContact O-N 3.11Å
258	R	81.3	Confident	91.6	Very high	214 Å²	214	57.5 Å²	57.5	81%	0.808	28%	0.284	S	S	*	.	S	Bend	trans	-148.3	148.1	173.2	-68.4	-173.9	176.2	161.5	-0.3	110.4	A256 G260	A256-R258 VanDerWaalsContact C-N 3.31Å; A256-R258 PolarHBondContact O-N 2.94Å; R258-G260 PolarHBondContact O-N 3.45Å
259	G	79.8	Confident	91.6	Very high	44 Å²	44	51.2 Å²	51.2	45%	0.454	26%	0.26	S	S	.	.	S	Bend	trans	77.4	-3	173.1	0	0	0	0	0	115.4	G195	G195-G259 PolarHBondContact O-N 2.91Å
260	G	85.6	Confident	91.7	Very high	1 Å²	1	50 Å²	50	1%	0.01	25%	0.254	C	S	.	.			trans	-77.1	160.2	176.2	0	0	0	0	0	113.7	F197 R258	F197-G260 PolarHBondContact N-O 3.35Å; R258-G260 PolarHBondContact O-N 3.45Å
261	H	90.6	Very high	91.7	Very high	47 Å²	47	49.3 Å²	49.3	22%	0.218	25%	0.251	C	S	.	.	B	Isolated β-bridge	trans	-96.7	150.8	164.3	-66.1	-63.1	0	0	0	109.1	F197 H253 E254 F263	F197-H261 WeakPolarHBondContact O-CA 3.02Å; F197-H261 PolarHBondContact O-ND1 2.8Å; H253-H261 CarbonylContact C-O 3.59Å; H253-H261 HydrophobicContact CB-CB 4.39Å; H253-H261 AromaticContact ND1-CD2 3.66Å; H253-H261 PolarHBondContact ND1-N 2.93Å; E254-H261 PolarHBondContact N-O 2.9Å; H261-F263 VanDerWaalsContact C-N 3.32Å; H261-F263 HydrophobicContact CB-CD1 3.84Å; H261-F263 HydrophobicContact CB-CD2 3.9Å; H261-F263 HydrophobicContact CB-CE1 3.61Å; H261-F263 HydrophobicContact CB-CE2 3.71Å; H261-F263 HydrophobicContact CB-CG 4Å; H261-F263 HydrophobicContact CB-CZ 3.56Å; H261-F263 AromaticContact CD2-CE1 3.98Å; H261-F263 AromaticContact CD2-CZ 3.45Å; H261-F263 VanDerWaalsContact CD2-CZ 3.45Å; H261-F263 WeakPolarHBondContact CD2-CZ 3.37Å; H261-F263 AromaticContact CG-CE1 3.88Å; H261-F263 AromaticContact CG-CZ 3.72Å; H261-F263 PolarHBondContact O-N 3.22Å
262	R	92.4	Very high	91.7	Very high	36 Å²	36	48.8 Å²	48.8	14%	0.136	25%	0.249	C	C	.	.			trans	-98.1	58.9	175.6	-56.3	-60.8	-178.3	-127.5	0	110.2	F183 A196 H253 E254 A256 I264 T265 E266	F183-R262 HydrophobicContact CE2-CB 4.42Å; F183-R262 HydrophobicContact CZ-CB 4.14Å; F183-R262 HydrophobicContact CZ-CG 4.18Å; A196-R262 HydrophobicContact CB-CG 3.94Å; H253-R262 PolarHBondContact O-NH1 2.98Å; E254-R262 PolarHBondContact O-NH1 2.95Å; E254-R262 WeakPolarHBondContact OE2-CA 3.42Å; A256-R262 PolarHBondContact O-NH1 2.77Å; A256-R262 PolarHBondContact O-NH2 3.12Å; R262-I264 VanDerWaalsContact C-N 3.29Å; R262-I264 PolarHBondContact O-N 2.68Å; R262-T265 PolarHBondContact O-N 3.42Å; R262-E266 VanDerWaalsContact O-CB 3.31Å; R262-E266 WeakPolarHBondContact O-CB 3.45Å; R262-E266 VanDerWaalsContact O-CG 3.22Å; R262-E266 WeakPolarHBondContact O-CG 3.2Å; R262-E266 PolarHBondContact O-N 3.31Å
263	F	94.5	Very high	91.8	Very high	13 Å²	13	45.1 Å²	45.1	6%	0.057	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-36.1	-171.8	-67.8	-55.2	0	0	0	114.2	Y236 Y250 H253 E254 H261 K267	Y236-F263 WeakPolarHBondContact OH-CZ 3.08Å; Y250-F263 HydrophobicContact CD1-CB 3.76Å; Y250-F263 HydrophobicContact CD1-CD1 4.46Å; Y250-F263 AromaticContact CD1-CD2 3.4Å; Y250-F263 HydrophobicContact CD1-CD2 3.4Å; Y250-F263 AromaticContact CD1-CE2 3.97Å; Y250-F263 HydrophobicContact CD1-CE2 3.97Å; Y250-F263 AromaticContact CD1-CG 3.65Å; Y250-F263 HydrophobicContact CD1-CG 3.65Å; Y250-F263 HydrophobicContact CE1-CB 4.11Å; Y250-F263 HydrophobicContact CE1-CD1 4.24Å; Y250-F263 AromaticContact CE1-CD2 3.92Å; Y250-F263 HydrophobicContact CE1-CD2 3.92Å; Y250-F263 HydrophobicContact CE1-CE2 4.28Å; Y250-F263 AromaticContact CE1-CG 3.86Å; Y250-F263 HydrophobicContact CE1-CG 3.86Å; Y250-F263 HydrophobicContact CG-CB 4.02Å; Y250-F263 HydrophobicContact CG-CD2 4.26Å; Y250-F263 HydrophobicContact CG-CG 4.4Å; H253-F263 HydrophobicContact CB-CD2 3.69Å; H253-F263 HydrophobicContact CB-CE2 3.64Å; H253-F263 AromaticContact CG-CE2 3.71Å; E254-F263 PolarHBondContact OE2-N 3.13Å; H261-F263 VanDerWaalsContact C-N 3.32Å; H261-F263 HydrophobicContact CB-CD1 3.84Å; H261-F263 HydrophobicContact CB-CD2 3.9Å; H261-F263 HydrophobicContact CB-CE1 3.61Å; H261-F263 HydrophobicContact CB-CE2 3.71Å; H261-F263 HydrophobicContact CB-CG 4Å; H261-F263 HydrophobicContact CB-CZ 3.56Å; H261-F263 AromaticContact CD2-CE1 3.98Å; H261-F263 AromaticContact CD2-CZ 3.45Å; H261-F263 VanDerWaalsContact CD2-CZ 3.45Å; H261-F263 WeakPolarHBondContact CD2-CZ 3.37Å; H261-F263 AromaticContact CG-CE1 3.88Å; H261-F263 AromaticContact CG-CZ 3.72Å; H261-F263 PolarHBondContact O-N 3.22Å; F263-K267 WeakPolarHBondContact O-CD 3.4Å; F263-K267 VanDerWaalsContact O-CG 3.26Å; F263-K267 WeakPolarHBondContact O-CG 3.48Å; F263-K267 PolarHBondContact O-N 3.29Å; F263-K267 PolarHBondContact O-NZ 3.26Å
264	I	95.1	Very high	91.9	Very high	40 Å²	40	43.3 Å²	43.3	21%	0.205	22%	0.224	C	C	.	.	H	α-helix	trans	-77.4	-47.2	179.2	-60.6	177.5	0	0	0	108.9	D223 R251 E254 R262 E266 K267 A268	D223-I264 HydrophobicContact CB-CG2 3.92Å; D223-I264 WeakPolarHBondContact CB-O 3.29Å; D223-I264 WeakPolarHBondContact O-CG2 3.42Å; R251-I264 HydrophobicContact CG-CD1 4.48Å; E254-I264 HydrophobicContact CB-CD1 4.25Å; E254-I264 HydrophobicContact CB-CG1 4.49Å; E254-I264 HydrophobicContact CG-CB 4.09Å; E254-I264 HydrophobicContact CG-CD1 4.17Å; E254-I264 HydrophobicContact CG-CG1 4.33Å; E254-I264 WeakPolarHBondContact OE2-CB 3.49Å; E254-I264 PolarHBondContact OE2-N 2.81Å; R262-I264 VanDerWaalsContact C-N 3.29Å; R262-I264 PolarHBondContact O-N 2.68Å; I264-E266 VanDerWaalsContact C-N 3.31Å; I264-E266 PolarHBondContact O-N 3.49Å; I264-K267 WeakPolarHBondContact O-CB 3.41Å; I264-K267 PolarHBondContact O-N 2.86Å; I264-K267 VanDerWaalsContact O-N 3.1Å; I264-A268 PolarHBondContact O-N 3.4Å
265	T	94.4	Very high	91.9	Very high	42 Å²	42	44.9 Å²	44.9	26%	0.258	23%	0.233	S	C	.	.	H	α-helix	trans	-56.9	-44.8	174.8	-62.4	0	0	0	0	111.8	F183 T187 E254 R262 K267 A268 I269	F183-T265 HydrophobicContact CE2-CG2 4.15Å; F183-T265 HydrophobicContact CZ-CG2 4.09Å; T187-T265 HydrophobicContact CG2-CG2 3.62Å; E254-T265 WeakPolarHBondContact OE1-CB 3.5Å; E254-T265 PolarHBondContact OE1-N 2.93Å; E254-T265 PolarHBondContact OE1-OG1 2.59Å; E254-T265 PolarHBondContact OE2-N 3.29Å; R262-T265 PolarHBondContact O-N 3.42Å; T265-K267 VanDerWaalsContact C-N 3.31Å; T265-K267 PolarHBondContact O-N 3.32Å; T265-A268 WeakPolarHBondContact O-CB 3.5Å; T265-A268 PolarHBondContact O-N 2.9Å; T265-I269 HydrophobicContact CG2-CD1 4.44Å; T265-I269 WeakPolarHBondContact O-CG1 3.37Å; T265-I269 PolarHBondContact O-N 3.33Å
266	E	96.1	Very high	91.9	Very high	3 Å²	3	45.1 Å²	45.1	1%	0.014	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-38.5	176.8	-76.1	178.2	-164	0	0	112.3	F183 L198 S199 F202 R262 I264 I269 Y270	F183-E266 HydrophobicContact CE2-CG 4.22Å; L198-E266 WeakPolarHBondContact CA-OE1 3.5Å; S199-E266 WeakPolarHBondContact CB-OE2 3.45Å; S199-E266 PolarHBondContact N-OE1 3.3Å; S199-E266 PolarHBondContact OG-OE2 2.94Å; F202-E266 HydrophobicContact CD2-CB 4.41Å; F202-E266 HydrophobicContact CD2-CG 3.82Å; R262-E266 VanDerWaalsContact O-CB 3.31Å; R262-E266 WeakPolarHBondContact O-CB 3.45Å; R262-E266 VanDerWaalsContact O-CG 3.22Å; R262-E266 WeakPolarHBondContact O-CG 3.2Å; R262-E266 PolarHBondContact O-N 3.31Å; I264-E266 VanDerWaalsContact C-N 3.31Å; I264-E266 PolarHBondContact O-N 3.49Å; E266-I269 WeakPolarHBondContact O-CB 3.44Å; E266-I269 PolarHBondContact O-N 2.72Å; E266-Y270 HydrophobicContact CB-CE1 4.46Å; E266-Y270 HydrophobicContact CB-CE2 4.1Å; E266-Y270 VanDerWaalsContact O-CD1 3.26Å; E266-Y270 WeakPolarHBondContact O-CD1 3.36Å; E266-Y270 VanDerWaalsContact O-CD2 3.31Å; E266-Y270 WeakPolarHBondContact O-CD2 3.23Å; E266-Y270 PolarHBondContact O-N 2.04Å; E266-Y270 PolarHBondContact OE2-OH 2.79Å
267	K	96.6	Very high	92.1	Very high	8 Å²	8	48.2 Å²	48.2	4%	0.035	24%	0.243	C	C	.	.	H	α-helix	trans	-66.1	-38.3	175.6	-74.7	164.9	175.7	70.2	0	112.3	I221 D223 Y250 F263 I264 T265 I269 Y270 A271 W286	I221-K267 HydrophobicContact CG1-CD 4.4Å; I221-K267 WeakPolarHBondContact O-CD 3.27Å; I221-K267 WeakPolarHBondContact O-CE 3.49Å; D223-K267 HydrophobicContact CB-CB 3.82Å; Y250-K267 VanDerWaalsContact CE2-CE 3.5Å; Y250-K267 PolarHBondContact OH-NZ 3.17Å; F263-K267 WeakPolarHBondContact O-CD 3.4Å; F263-K267 VanDerWaalsContact O-CG 3.26Å; F263-K267 WeakPolarHBondContact O-CG 3.48Å; F263-K267 PolarHBondContact O-N 3.29Å; F263-K267 PolarHBondContact O-NZ 3.26Å; I264-K267 WeakPolarHBondContact O-CB 3.41Å; I264-K267 PolarHBondContact O-N 2.86Å; I264-K267 VanDerWaalsContact O-N 3.1Å; T265-K267 VanDerWaalsContact C-N 3.31Å; T265-K267 PolarHBondContact O-N 3.32Å; K267-I269 VanDerWaalsContact C-N 3.28Å; K267-I269 PolarHBondContact O-N 3.1Å; K267-Y270 HydrophobicContact CG-CD2 4.41Å; K267-Y270 PolarHBondContact O-N 3.16Å; K267-A271 PolarHBondContact O-N 2.84Å; K267-W286 HydrophobicContact CB-CH2 3.94Å; K267-W286 HydrophobicContact CG-CH2 4.08Å; K267-W286 HydrophobicContact CG-CZ2 4.41Å; K267-W286 WeakPolarHBondContact O-CZ3 3.4Å
268	A	95.5	Very high	92.8	Very high	20 Å²	20	52.4 Å²	52.4	17%	0.165	24%	0.243	C	C	.	.	H	α-helix	trans	-61.5	-39.1	173.2	0	0	0	0	0	111.4	D223 I264 T265 A271 R272	D223-A268 HydrophobicContact CB-CB 4.19Å; D223-A268 WeakPolarHBondContact OD2-CB 3.47Å; I264-A268 PolarHBondContact O-N 3.4Å; T265-A268 WeakPolarHBondContact O-CB 3.5Å; T265-A268 PolarHBondContact O-N 2.9Å; A268-A271 PolarHBondContact O-N 2.89Å; A268-R272 PolarHBondContact O-N 3.33Å
269	I	95.6	Very high	93.6	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-60.9	-49.4	171.8	-61.6	171.5	0	0	0	110.5	F183 E186 T187 F202 T265 E266 K267 A271 R272 W273	F183-I269 HydrophobicContact CD2-CD1 3.71Å; F183-I269 HydrophobicContact CE2-CD1 3.87Å; E186-I269 HydrophobicContact CB-CD1 3.81Å; E186-I269 HydrophobicContact CB-CG1 3.92Å; E186-I269 HydrophobicContact CB-CG2 4.24Å; E186-I269 HydrophobicContact CG-CD1 4.43Å; E186-I269 HydrophobicContact CG-CG1 4.41Å; E186-I269 HydrophobicContact CG-CG2 3.79Å; T187-I269 HydrophobicContact CG2-CD1 3.79Å; T187-I269 HydrophobicContact CG2-CG1 4.39Å; F202-I269 HydrophobicContact CE2-CD1 3.99Å; F202-I269 HydrophobicContact CE2-CG2 4.36Å; T265-I269 HydrophobicContact CG2-CD1 4.44Å; T265-I269 WeakPolarHBondContact O-CG1 3.37Å; T265-I269 PolarHBondContact O-N 3.33Å; E266-I269 WeakPolarHBondContact O-CB 3.44Å; E266-I269 PolarHBondContact O-N 2.72Å; K267-I269 VanDerWaalsContact C-N 3.28Å; K267-I269 PolarHBondContact O-N 3.1Å; I269-A271 PolarHBondContact O-N 3.06Å; I269-R272 WeakPolarHBondContact O-CB 3Å; I269-R272 PolarHBondContact O-N 3.26Å; I269-R272 VanDerWaalsContact O-N 3.08Å; I269-W273 HydrophobicContact CG2-CD2 3.78Å; I269-W273 HydrophobicContact CG2-CE3 4.3Å; I269-W273 HydrophobicContact CG2-CG 4.33Å; I269-W273 HydrophobicContact CG2-CH2 3.91Å; I269-W273 HydrophobicContact CG2-CZ2 3.32Å; I269-W273 HydrophobicContact CG2-CZ3 4.36Å; I269-W273 PolarHBondContact O-N 2.97Å
270	Y	97.3	Very high	94.5	Very high	5 Å²	5	44.9 Å²	44.9	2%	0.02	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-33.8	-178.7	-51.2	-31.7	0	0	0	112.8	F202 M205 M220 E266 K267 R272 W273 A274 W286	F202-Y270 WeakPolarHBondContact CA-OH 3.41Å; F202-Y270 WeakPolarHBondContact CB-OH 3.31Å; F202-Y270 AromaticContact CD2-CE1 3.76Å; F202-Y270 HydrophobicContact CD2-CE1 3.76Å; F202-Y270 HydrophobicContact CE2-CE1 4.38Å; F202-Y270 PolarHBondContact N-OH 3.24Å; M205-Y270 HydrophobicContact CB-CD1 4.32Å; M205-Y270 HydrophobicContact CB-CE1 3.99Å; M205-Y270 HydrophobicContact CE-CG 4.36Å; M205-Y270 HydrophobicContact CG-CD1 3.95Å; M205-Y270 HydrophobicContact CG-CE1 4.13Å; M220-Y270 HydrophobicContact CE-CE2 4.49Å; M220-Y270 HydrophobicContact SD-CD2 3.7Å; M220-Y270 HydrophobicContact SD-CE2 3.92Å; E266-Y270 HydrophobicContact CB-CE1 4.46Å; E266-Y270 HydrophobicContact CB-CE2 4.1Å; E266-Y270 VanDerWaalsContact O-CD1 3.26Å; E266-Y270 WeakPolarHBondContact O-CD1 3.36Å; E266-Y270 VanDerWaalsContact O-CD2 3.31Å; E266-Y270 WeakPolarHBondContact O-CD2 3.23Å; E266-Y270 PolarHBondContact O-N 2.04Å; E266-Y270 PolarHBondContact OE2-OH 2.79Å; K267-Y270 HydrophobicContact CG-CD2 4.41Å; K267-Y270 PolarHBondContact O-N 3.16Å; Y270-R272 VanDerWaalsContact C-N 3.35Å; Y270-W273 AromaticContact CD1-CE3 3.8Å; Y270-W273 HydrophobicContact CD1-CE3 3.8Å; Y270-W273 AromaticContact CD1-CZ3 3.8Å; Y270-W273 HydrophobicContact CD1-CZ3 3.8Å; Y270-W273 HydrophobicContact CE1-CE3 4.38Å; Y270-W273 AromaticContact CE1-CZ3 3.91Å; Y270-W273 HydrophobicContact CE1-CZ3 3.91Å; Y270-W273 PolarHBondContact O-N 3.44Å; Y270-A274 WeakPolarHBondContact O-CB 3.02Å; Y270-A274 PolarHBondContact O-N 3.35Å; Y270-W286 HydrophobicContact CD2-CH2 4.5Å
271	A	95.9	Very high	95.1	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-63.8	-41	175.3	0	0	0	0	0	112	K267 A268 I269 A274 W286 L288	K267-A271 PolarHBondContact O-N 2.84Å; A268-A271 PolarHBondContact O-N 2.89Å; I269-A271 PolarHBondContact O-N 3.06Å; A271-A274 PolarHBondContact O-N 2.97Å; A271-W286 HydrophobicContact CB-CE3 4.15Å; A271-W286 HydrophobicContact CB-CZ3 3.91Å; A271-L288 HydrophobicContact CB-CD2 4.07Å
272	R	94.7	Very high	95.4	Very high	95 Å²	95	46.3 Å²	46.3	36%	0.358	21%	0.211	S	C	.	.	H	α-helix	trans	-66.2	-43.5	173.3	-68.1	-169.7	-61.7	-96.8	8.8	111.7	E186 A268 I269 Y270 A274 L275 H276	E186-R272 PolarHBondContact O-NH2 2.59Å; E186-R272 IonicContact OE2-CZ 2.73Å; E186-R272 IonicContact OE2-NE 3.77Å; E186-R272 PolarHBondContact OE2-NE 3.18Å; E186-R272 VanDerWaalsContact OE2-NE 3.14Å; E186-R272 IonicContact OE2-NH2 3.43Å; E186-R272 PolarHBondContact OE2-NH2 2.86Å; A268-R272 PolarHBondContact O-N 3.33Å; I269-R272 WeakPolarHBondContact O-CB 3Å; I269-R272 PolarHBondContact O-N 3.26Å; I269-R272 VanDerWaalsContact O-N 3.08Å; Y270-R272 VanDerWaalsContact C-N 3.35Å; R272-A274 VanDerWaalsContact C-N 3.27Å; R272-A274 PolarHBondContact O-N 2.96Å; R272-L275 WeakPolarHBondContact O-CB 3.46Å; R272-L275 PolarHBondContact O-N 3.49Å; R272-H276 PolarHBondContact O-CD2 3.33Å
273	W	95.4	Very high	95.6	Very high	17 Å²	17	47 Å²	47	6%	0.064	22%	0.216	C	C	.	.	H	α-helix	trans	-59.2	-39.6	176.1	-67.3	-8	0	0	0	111.9	V182 E186 F202 M205 I206 M209 I269 Y270 L275 H276 H277	V182-W273 HydrophobicContact CG1-CH2 4.03Å; V182-W273 HydrophobicContact CG1-CZ2 3.52Å; E186-W273 HydrophobicContact CG-CZ2 4.29Å; E186-W273 PolarHBondContact OE1-NE1 2.81Å; F202-W273 HydrophobicContact CD2-CH2 4.33Å; F202-W273 HydrophobicContact CE1-CH2 4.43Å; F202-W273 AromaticContact CE2-CH2 3.64Å; F202-W273 HydrophobicContact CE2-CH2 3.64Å; F202-W273 HydrophobicContact CE2-CZ2 4.24Å; F202-W273 HydrophobicContact CE2-CZ3 4.43Å; F202-W273 AromaticContact CZ-CH2 3.72Å; F202-W273 HydrophobicContact CZ-CH2 3.72Å; F202-W273 HydrophobicContact CZ-CZ2 4.21Å; M205-W273 HydrophobicContact CB-CZ3 4.1Å; M205-W273 HydrophobicContact CG-CE3 3.65Å; M205-W273 HydrophobicContact CG-CZ3 3.65Å; I206-W273 HydrophobicContact CD1-CH2 4.32Å; I206-W273 HydrophobicContact CG1-CH2 3.92Å; I206-W273 HydrophobicContact CG1-CZ3 4.2Å; M209-W273 HydrophobicContact CE-CD2 3.92Å; M209-W273 HydrophobicContact CE-CE3 3.38Å; M209-W273 HydrophobicContact CE-CH2 4.15Å; M209-W273 HydrophobicContact CE-CZ3 3.51Å; M209-W273 HydrophobicContact SD-CB 4.49Å; M209-W273 HydrophobicContact SD-CD2 4.36Å; M209-W273 HydrophobicContact SD-CE3 4.02Å; I269-W273 HydrophobicContact CG2-CD2 3.78Å; I269-W273 HydrophobicContact CG2-CE3 4.3Å; I269-W273 HydrophobicContact CG2-CG 4.33Å; I269-W273 HydrophobicContact CG2-CH2 3.91Å; I269-W273 HydrophobicContact CG2-CZ2 3.32Å; I269-W273 HydrophobicContact CG2-CZ3 4.36Å; I269-W273 PolarHBondContact O-N 2.97Å; Y270-W273 AromaticContact CD1-CE3 3.8Å; Y270-W273 HydrophobicContact CD1-CE3 3.8Å; Y270-W273 AromaticContact CD1-CZ3 3.8Å; Y270-W273 HydrophobicContact CD1-CZ3 3.8Å; Y270-W273 HydrophobicContact CE1-CE3 4.38Å; Y270-W273 AromaticContact CE1-CZ3 3.91Å; Y270-W273 HydrophobicContact CE1-CZ3 3.91Å; Y270-W273 PolarHBondContact O-N 3.44Å; W273-L275 PolarHBondContact O-N 2.9Å; W273-L275 VanDerWaalsContact O-N 3.14Å; W273-H276 PolarHBondContact O-N 2.76Å; W273-H277 WeakPolarHBondContact O-CB 3.37Å; W273-H277 PolarHBondContact O-CD2 3.48Å; W273-H277 VanDerWaalsContact O-CD2 3.22Å; W273-H277 PolarHBondContact O-N 2.83Å
274	A	95.9	Very high	95.7	Very high	12 Å²	12	47.8 Å²	47.8	10%	0.099	22%	0.222	C	C	.	.	H	α-helix	trans	-64.9	-15	177.2	0	0	0	0	0	114.6	Y270 A271 R272 V279 F281 L288	Y270-A274 WeakPolarHBondContact O-CB 3.02Å; Y270-A274 PolarHBondContact O-N 3.35Å; A271-A274 PolarHBondContact O-N 2.97Å; R272-A274 VanDerWaalsContact C-N 3.27Å; R272-A274 PolarHBondContact O-N 2.96Å; A274-V279 HydrophobicContact CB-CB 3.99Å; A274-V279 HydrophobicContact CB-CG1 4.43Å; A274-F281 HydrophobicContact CB-CD2 4.48Å; A274-F281 HydrophobicContact CB-CE2 3.9Å; A274-L288 HydrophobicContact CB-CD1 3.58Å
275	L	93.1	Very high	95.7	Very high	60 Å²	60	50.3 Å²	50.3	31%	0.314	24%	0.244	S	C	.	.	H	α-helix	trans	-78	-24.7	172.2	-61.4	175.9	0	0	0	112.9	R272 W273 L288 K292	R272-L275 WeakPolarHBondContact O-CB 3.46Å; R272-L275 PolarHBondContact O-N 3.49Å; W273-L275 PolarHBondContact O-N 2.9Å; W273-L275 VanDerWaalsContact O-N 3.14Å; L275-L288 HydrophobicContact CD2-CB 4.18Å; L275-K292 HydrophobicContact CD2-CG 4.35Å
276	H	90.9	Very high	95.8	Very high	155 Å²	155	49.3 Å²	49.3	72%	0.718	24%	0.235	S	C	*	.	H	α-helix	trans	-115.7	-16.2	-173.9	-57.3	-64	0	0	0	113.4	R272 W273	R272-H276 PolarHBondContact O-CD2 3.33Å; W273-H276 PolarHBondContact O-N 2.76Å
277	H	92.2	Very high	95.4	Very high	95 Å²	95	53.4 Å²	53.4	44%	0.44	26%	0.257	S	S	.	.	S	Bend	trans	-116.8	157.3	177.8	-60.9	-81.7	0	0	0	110.3	M209 W273 V279	M209-H277 HydrophobicContact SD-CB 4.48Å; W273-H277 WeakPolarHBondContact O-CB 3.37Å; W273-H277 PolarHBondContact O-CD2 3.48Å; W273-H277 VanDerWaalsContact O-CD2 3.22Å; W273-H277 PolarHBondContact O-N 2.83Å; H277-V279 HydrophobicContact CB-CG2 3.93Å; H277-V279 PolarHBondContact O-N 3.48Å
278	R	96.4	Very high	95	Very high	194 Å²	194	54.7 Å²	54.7	73%	0.732	26%	0.264	S	S	*	.	S	Bend	trans	-77.4	65.6	175.9	-66.6	-178.1	179.7	171.8	0.9	111	D213 S214 I215	D213-R278 WeakPolarHBondContact O-CD 3.39Å; S214-R278 CarbonylContact C-O 3.43Å; S214-R278 WeakPolarHBondContact CA-O 3.47Å; I215-R278 PolarHBondContact N-O 3.32Å
279	V	98	Very high	93.8	Very high	11 Å²	11	60.8 Å²	60.8	7%	0.067	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.7	177.5	-174.2	0	0	0	0	108.9	M205 I215 V217 A274 H277 F281	M205-V279 HydrophobicContact CE-CG1 4.48Å; M205-V279 HydrophobicContact SD-CG1 4.42Å; I215-V279 HydrophobicContact CB-CG1 4.46Å; I215-V279 HydrophobicContact CB-CG2 4.33Å; I215-V279 HydrophobicContact CD1-CG2 4.08Å; I215-V279 CarbonylContact O-C 3.58Å; I215-V279 WeakPolarHBondContact O-CA 3.49Å; V217-V279 HydrophobicContact CG2-CG1 3.81Å; A274-V279 HydrophobicContact CB-CB 3.99Å; A274-V279 HydrophobicContact CB-CG1 4.43Å; H277-V279 HydrophobicContact CB-CG2 3.93Å; H277-V279 PolarHBondContact O-N 3.48Å; V279-F281 HydrophobicContact CG1-CE2 4Å; V279-F281 HydrophobicContact CG1-CZ 4.19Å
280	E	97.8	Very high	92.2	Very high	89 Å²	89	68 Å²	68	42%	0.416	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	124.6	177.1	-167.2	-175.5	170.9	0	0	109.6	I215 H216 V217 K282	I215-E280 PolarHBondContact O-N 3.01Å; H216-E280 CarbonylContact C-O 3.06Å; H216-E280 WeakPolarHBondContact CA-O 3.48Å; H216-E280 IonicContact CE1-OE2 2.62Å; H216-E280 IonicContact NE2-OE2 3.02Å; V217-E280 PolarHBondContact N-O 3.07Å; E280-K282 HydrophobicContact CG-CD 4.16Å; E280-K282 PolarHBondContact O-N 3.45Å; E280-K282 WeakPolarHBondContact OE1-CD 3.18Å; E280-K282 WeakPolarHBondContact OE1-CE 3.25Å; E280-K282 IonicContact OE1-NZ 2.59Å; E280-K282 PolarHBondContact OE1-NZ 3.37Å; E280-K282 WeakPolarHBondContact OE2-CE 3.23Å; E280-K282 IonicContact OE2-NZ 3.73Å; E280-K282 PolarHBondContact OE2-NZ 3.5Å; E280-K282 VanDerWaalsContact OE2-NZ 3.1Å
281	F	98.1	Very high	90.6	Very high	9 Å²	9	69.9 Å²	69.9	4%	0.039	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	109.8	172	-65.3	-91.8	0	0	0	108.5	M205 V217 M220 A274 V279 S285 W286	M205-F281 HydrophobicContact CE-CZ 4.49Å; V217-F281 HydrophobicContact CB-CD1 3.57Å; V217-F281 HydrophobicContact CB-CE1 3.86Å; V217-F281 HydrophobicContact CB-CG 4.24Å; V217-F281 HydrophobicContact CG1-CD1 3.64Å; V217-F281 HydrophobicContact CG1-CE1 3.71Å; V217-F281 HydrophobicContact CG2-CD1 4.07Å; V217-F281 HydrophobicContact CG2-CE1 3.93Å; V217-F281 HydrophobicContact CG2-CZ 4.39Å; M220-F281 HydrophobicContact CB-CD1 4.41Å; M220-F281 HydrophobicContact CB-CE1 4.49Å; M220-F281 HydrophobicContact SD-CE1 3.9Å; A274-F281 HydrophobicContact CB-CD2 4.48Å; A274-F281 HydrophobicContact CB-CE2 3.9Å; V279-F281 HydrophobicContact CG1-CE2 4Å; V279-F281 HydrophobicContact CG1-CZ 4.19Å; F281-S285 WeakPolarHBondContact O-CA 3.36Å; F281-W286 HydrophobicContact CB-CB 3.86Å; F281-W286 VanDerWaalsContact CB-CD1 3.48Å; F281-W286 HydrophobicContact CB-CD2 3.89Å; F281-W286 HydrophobicContact CB-CG 3.47Å; F281-W286 VanDerWaalsContact CB-CG 3.47Å; F281-W286 AromaticContact CD1-CD2 3.66Å; F281-W286 HydrophobicContact CD1-CD2 3.66Å; F281-W286 AromaticContact CD1-CE2 3.32Å; F281-W286 HydrophobicContact CD1-CE3 4.11Å; F281-W286 HydrophobicContact CD1-CG 4.15Å; F281-W286 HydrophobicContact CD1-CH2 4.01Å; F281-W286 AromaticContact CD1-CZ2 3.51Å; F281-W286 HydrophobicContact CD1-CZ2 3.51Å; F281-W286 HydrophobicContact CD1-CZ3 4.28Å; F281-W286 AromaticContact CD1-NE1 3.65Å; F281-W286 HydrophobicContact CD2-CB 4.22Å; F281-W286 AromaticContact CD2-CD2 3.58Å; F281-W286 HydrophobicContact CD2-CD2 3.58Å; F281-W286 AromaticContact CD2-CE3 3.54Å; F281-W286 HydrophobicContact CD2-CE3 3.54Å; F281-W286 AromaticContact CD2-CG 3.91Å; F281-W286 HydrophobicContact CD2-CG 3.91Å; F281-W286 HydrophobicContact CD2-CZ3 4.11Å; F281-W286 HydrophobicContact CE1-CD2 4.06Å; F281-W286 AromaticContact CE1-CE2 3.7Å; F281-W286 HydrophobicContact CE1-CE3 4.09Å; F281-W286 AromaticContact CE1-CH2 3.46Å; F281-W286 HydrophobicContact CE1-CH2 3.46Å; F281-W286 VanDerWaalsContact CE1-CH2 3.46Å; F281-W286 AromaticContact CE1-CZ2 3.38Å; F281-W286 HydrophobicContact CE1-CZ2 3.38Å; F281-W286 AromaticContact CE1-CZ3 3.82Å; F281-W286 HydrophobicContact CE1-CZ3 3.82Å; F281-W286 AromaticContact CE2-CD2 3.98Å; F281-W286 HydrophobicContact CE2-CD2 3.98Å; F281-W286 AromaticContact CE2-CE3 3.51Å; F281-W286 HydrophobicContact CE2-CE3 3.51Å; F281-W286 HydrophobicContact CE2-CH2 4.15Å; F281-W286 AromaticContact CE2-CZ3 3.61Å; F281-W286 HydrophobicContact CE2-CZ3 3.61Å; F281-W286 HydrophobicContact CG-CB 4.2Å; F281-W286 AromaticContact CG-CD1 3.85Å; F281-W286 AromaticContact CG-CD2 3.41Å; F281-W286 HydrophobicContact CG-CD2 3.41Å; F281-W286 VanDerWaalsContact CG-CD2 3.41Å; F281-W286 AromaticContact CG-CE2 3.6Å; F281-W286 AromaticContact CG-CE3 3.86Å; F281-W286 HydrophobicContact CG-CE3 3.86Å; F281-W286 AromaticContact CG-CG 3.58Å; F281-W286 HydrophobicContact CG-CG 3.58Å; F281-W286 HydrophobicContact CG-CZ2 4.19Å; F281-W286 HydrophobicContact CG-CZ3 4.43Å; F281-W286 AromaticContact CG-NE1 3.83Å; F281-W286 HydrophobicContact CZ-CD2 4.22Å; F281-W286 AromaticContact CZ-CE3 3.81Å; F281-W286 HydrophobicContact CZ-CE3 3.81Å; F281-W286 AromaticContact CZ-CH2 3.55Å; F281-W286 HydrophobicContact CZ-CH2 3.55Å; F281-W286 AromaticContact CZ-CZ2 3.95Å; F281-W286 HydrophobicContact CZ-CZ2 3.95Å; F281-W286 AromaticContact CZ-CZ3 3.47Å; F281-W286 HydrophobicContact CZ-CZ3 3.47Å; F281-W286 VanDerWaalsContact CZ-CZ3 3.47Å
282	K	97.6	Very high	88.7	Confident	68 Å²	68	76.7 Å²	76.7	30%	0.296	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	-40	-172.8	-75.1	-61.4	-149.7	-168.8	0	112.9	E80 H216 V217 Y218 E280	E80-K282 WeakPolarHBondContact OE1-CE 3.5Å; H216-K282 HydrophobicContact CB-CG 3.96Å; H216-K282 WeakPolarHBondContact ND1-CE 3.31Å; V217-K282 PolarHBondContact O-N 3.39Å; Y218-K282 HydrophobicContact CD1-CB 3.67Å; Y218-K282 HydrophobicContact CE1-CB 3.35Å; Y218-K282 HydrophobicContact CE1-CG 3.83Å; E280-K282 HydrophobicContact CG-CD 4.16Å; E280-K282 PolarHBondContact O-N 3.45Å; E280-K282 WeakPolarHBondContact OE1-CD 3.18Å; E280-K282 WeakPolarHBondContact OE1-CE 3.25Å; E280-K282 IonicContact OE1-NZ 2.59Å; E280-K282 PolarHBondContact OE1-NZ 3.37Å; E280-K282 WeakPolarHBondContact OE2-CE 3.23Å; E280-K282 IonicContact OE2-NZ 3.73Å; E280-K282 PolarHBondContact OE2-NZ 3.5Å; E280-K282 VanDerWaalsContact OE2-NZ 3.1Å
283	H	97.2	Very high	86.5	Confident	52 Å²	52	80.6 Å²	80.6	24%	0.241	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	117.3	-175.4	-172.5	69.4	0	0	0	112.7	Q71 A75 L77 V217 Y218 G219 M220	Q71-H283 PolarHBondContact O-CD2 3.1Å; Q71-H283 PolarHBondContact O-NE2 3.29Å; A75-H283 WeakPolarHBondContact CB-NE2 3.02Å; L77-H283 HydrophobicContact CD1-CB 3.5Å; L77-H283 VanDerWaalsContact CD1-CB 3.5Å; V217-H283 PolarHBondContact O-N 3.26Å; Y218-H283 CarbonylContact C-O 3.49Å; Y218-H283 HydrophobicContact CD1-CB 4.09Å; G219-H283 WeakPolarHBondContact CA-O 3Å; G219-H283 PolarHBondContact N-O 3.21Å; M220-H283 PolarHBondContact N-O 2.93Å
284	P	96.4	Very high	84.3	Confident	28 Å²	28	85.7 Å²	85.7	18%	0.182	41%	0.41	C	S	.	.	T	Hydrogen-bonded Turn	cis	-58	154.3	-21.3	28.1	-35.3	0	0	0	111.2	M220 I221	M220-P284 WeakPolarHBondContact O-CD 3.49Å; I221-P284 HydrophobicContact CG2-CG 4.09Å
285	S	95.6	Very high	81.8	Confident	94 Å²	94	94.3 Å²	94.3	66%	0.657	47%	0.465	S	S	*	.	B	Isolated β-bridge	trans	-71.8	134.4	176.8	60.3	0	0	0	0	111.7	F281	F281-S285 WeakPolarHBondContact O-CA 3.36Å
286	W	95.2	Very high	81.3	Confident	21 Å²	21	96 Å²	96	8%	0.08	47%	0.472	C	S	.	.	P	Polyproline II helix	trans	-93.4	134.2	176.6	-67.3	17.1	0	0	0	111	M220 I221 D222 K267 Y270 A271 F281 L288	M220-W286 HydrophobicContact CB-CZ2 4.31Å; M220-W286 HydrophobicContact CG-CZ2 3.93Å; M220-W286 PolarHBondContact O-NE1 3.41Å; M220-W286 HydrophobicContact SD-CH2 4.37Å; M220-W286 HydrophobicContact SD-CZ2 4.15Å; I221-W286 VanDerWaalsContact C-CZ2 3.49Å; I221-W286 WeakPolarHBondContact O-CZ2 3.48Å; D222-W286 HydrophobicContact CB-CD2 3.73Å; D222-W286 HydrophobicContact CB-CE3 4.17Å; D222-W286 HydrophobicContact CB-CG 3.96Å; D222-W286 HydrophobicContact CB-CZ2 4.32Å; K267-W286 HydrophobicContact CB-CH2 3.94Å; K267-W286 HydrophobicContact CG-CH2 4.08Å; K267-W286 HydrophobicContact CG-CZ2 4.41Å; K267-W286 WeakPolarHBondContact O-CZ3 3.4Å; Y270-W286 HydrophobicContact CD2-CH2 4.5Å; A271-W286 HydrophobicContact CB-CE3 4.15Å; A271-W286 HydrophobicContact CB-CZ3 3.91Å; F281-W286 HydrophobicContact CB-CB 3.86Å; F281-W286 VanDerWaalsContact CB-CD1 3.48Å; F281-W286 HydrophobicContact CB-CD2 3.89Å; F281-W286 HydrophobicContact CB-CG 3.47Å; F281-W286 VanDerWaalsContact CB-CG 3.47Å; F281-W286 AromaticContact CD1-CD2 3.66Å; F281-W286 HydrophobicContact CD1-CD2 3.66Å; F281-W286 AromaticContact CD1-CE2 3.32Å; F281-W286 HydrophobicContact CD1-CE3 4.11Å; F281-W286 HydrophobicContact CD1-CG 4.15Å; F281-W286 HydrophobicContact CD1-CH2 4.01Å; F281-W286 AromaticContact CD1-CZ2 3.51Å; F281-W286 HydrophobicContact CD1-CZ2 3.51Å; F281-W286 HydrophobicContact CD1-CZ3 4.28Å; F281-W286 AromaticContact CD1-NE1 3.65Å; F281-W286 HydrophobicContact CD2-CB 4.22Å; F281-W286 AromaticContact CD2-CD2 3.58Å; F281-W286 HydrophobicContact CD2-CD2 3.58Å; F281-W286 AromaticContact CD2-CE3 3.54Å; F281-W286 HydrophobicContact CD2-CE3 3.54Å; F281-W286 AromaticContact CD2-CG 3.91Å; F281-W286 HydrophobicContact CD2-CG 3.91Å; F281-W286 HydrophobicContact CD2-CZ3 4.11Å; F281-W286 HydrophobicContact CE1-CD2 4.06Å; F281-W286 AromaticContact CE1-CE2 3.7Å; F281-W286 HydrophobicContact CE1-CE3 4.09Å; F281-W286 AromaticContact CE1-CH2 3.46Å; F281-W286 HydrophobicContact CE1-CH2 3.46Å; F281-W286 VanDerWaalsContact CE1-CH2 3.46Å; F281-W286 AromaticContact CE1-CZ2 3.38Å; F281-W286 HydrophobicContact CE1-CZ2 3.38Å; F281-W286 AromaticContact CE1-CZ3 3.82Å; F281-W286 HydrophobicContact CE1-CZ3 3.82Å; F281-W286 AromaticContact CE2-CD2 3.98Å; F281-W286 HydrophobicContact CE2-CD2 3.98Å; F281-W286 AromaticContact CE2-CE3 3.51Å; F281-W286 HydrophobicContact CE2-CE3 3.51Å; F281-W286 HydrophobicContact CE2-CH2 4.15Å; F281-W286 AromaticContact CE2-CZ3 3.61Å; F281-W286 HydrophobicContact CE2-CZ3 3.61Å; F281-W286 HydrophobicContact CG-CB 4.2Å; F281-W286 AromaticContact CG-CD1 3.85Å; F281-W286 AromaticContact CG-CD2 3.41Å; F281-W286 HydrophobicContact CG-CD2 3.41Å; F281-W286 VanDerWaalsContact CG-CD2 3.41Å; F281-W286 AromaticContact CG-CE2 3.6Å; F281-W286 AromaticContact CG-CE3 3.86Å; F281-W286 HydrophobicContact CG-CE3 3.86Å; F281-W286 AromaticContact CG-CG 3.58Å; F281-W286 HydrophobicContact CG-CG 3.58Å; F281-W286 HydrophobicContact CG-CZ2 4.19Å; F281-W286 HydrophobicContact CG-CZ3 4.43Å; F281-W286 AromaticContact CG-NE1 3.83Å; F281-W286 HydrophobicContact CZ-CD2 4.22Å; F281-W286 AromaticContact CZ-CE3 3.81Å; F281-W286 HydrophobicContact CZ-CE3 3.81Å; F281-W286 AromaticContact CZ-CH2 3.55Å; F281-W286 HydrophobicContact CZ-CH2 3.55Å; F281-W286 AromaticContact CZ-CZ2 3.95Å; F281-W286 HydrophobicContact CZ-CZ2 3.95Å; F281-W286 AromaticContact CZ-CZ3 3.47Å; F281-W286 HydrophobicContact CZ-CZ3 3.47Å; F281-W286 VanDerWaalsContact CZ-CZ3 3.47Å; W286-L288 HydrophobicContact CB-CD2 4.22Å; W286-L288 HydrophobicContact CB-CG 4.43Å; W286-L288 HydrophobicContact CE3-CD2 4.21Å; W286-L288 PolarHBondContact O-N 3.34Å
287	N	88.9	Confident	80.8	Confident	89 Å²	89	92.9 Å²	92.9	48%	0.476	46%	0.459	S	S	.	.			trans	-83.1	99	168.6	-173.8	2.1	0	0	0	109.9	Q289 E290	N287-Q289 PolarHBondContact OD1-N 3.4Å; N287-Q289 VanDerWaalsContact OD1-N 3.12Å; N287-E290 PolarHBondContact ND2-OE1 3.36Å
288	L	86.4	Confident	80.1	Confident	34 Å²	34	92.8 Å²	92.8	18%	0.178	46%	0.46	C	S	.	.			trans	-87.7	-8.5	178.7	-60.2	177.9	0	0	0	113.4	A271 A274 L275 W286 E290 R291	A271-L288 HydrophobicContact CB-CD2 4.07Å; A274-L288 HydrophobicContact CB-CD1 3.58Å; L275-L288 HydrophobicContact CD2-CB 4.18Å; W286-L288 HydrophobicContact CB-CD2 4.22Å; W286-L288 HydrophobicContact CB-CG 4.43Å; W286-L288 HydrophobicContact CE3-CD2 4.21Å; W286-L288 PolarHBondContact O-N 3.34Å; L288-E290 PolarHBondContact O-N 3.2Å; L288-R291 PolarHBondContact O-N 3.02Å
289	Q	71.4	Confident	79.2	Confident	148 Å²	148	86.8 Å²	86.8	69%	0.692	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-70	-34.2	-173.7	-65.2	-148.6	1.9	0	0	113.1	N287 R291 K292	N287-Q289 PolarHBondContact OD1-N 3.4Å; N287-Q289 VanDerWaalsContact OD1-N 3.12Å; Q289-R291 PolarHBondContact O-N 2.62Å; Q289-R291 VanDerWaalsContact O-N 3.11Å; Q289-K292 PolarHBondContact O-N 2.81Å
290	E	62.2	Low	78	Confident	153 Å²	153	91.6 Å²	91.6	72%	0.715	47%	0.468	S	S	*	.	G	3₁₀ helix	trans	-64.4	-14.7	177.6	-68.8	170.3	-162.6	0	0	112.8	N287 L288	N287-E290 PolarHBondContact ND2-OE1 3.36Å; L288-E290 PolarHBondContact O-N 3.2Å
291	R	64.2	Low	76.7	Confident	44 Å²	44	91.7 Å²	91.7	17%	0.166	47%	0.472	C	S	.	.	G	3₁₀ helix	trans	-102	0.5	-176.4	-71.7	-149	-98.5	-124.9	-3.3	116	D223 L288 Q289 H293	D223-R291 IonicContact OD1-CZ 3.7Å; D223-R291 IonicContact OD1-NH1 3.8Å; D223-R291 PolarHBondContact OD1-NH1 3.39Å; D223-R291 IonicContact OD1-NH2 2.72Å; D223-R291 PolarHBondContact OD1-NH2 3.42Å; D223-R291 IonicContact OD2-CZ 2.79Å; D223-R291 IonicContact OD2-NH1 2.81Å; D223-R291 PolarHBondContact OD2-NH1 3.31Å; D223-R291 IonicContact OD2-NH2 3.9Å; L288-R291 PolarHBondContact O-N 3.02Å; Q289-R291 PolarHBondContact O-N 2.62Å; Q289-R291 VanDerWaalsContact O-N 3.11Å; R291-H293 PolarHBondContact O-N 3.22Å; R291-H293 VanDerWaalsContact O-N 3.14Å
292	K	55.9	Low	75.1	Confident	143 Å²	143	97.6 Å²	97.6	62%	0.622	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-5.6	172.5	-70.7	-176.3	177.9	178.8	0	113.3	L275 Q289	L275-K292 HydrophobicContact CD2-CG 4.35Å; Q289-K292 PolarHBondContact O-N 2.81Å
293	H	48.7	Very low	73.4	Confident	176 Å²	176	99.9 Å²	99.9	82%	0.815	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124	6.9	-174.2	-64.7	-11.6	0	0	0	113.8	R291	R291-H293 PolarHBondContact O-N 3.22Å; R291-H293 VanDerWaalsContact O-N 3.14Å
294	D	48.4	Very low	71.4	Confident	124 Å²	124	103.9 Å²	103.9	66%	0.663	54%	0.542	S	S	*	.			trans	-87.4	123	173.2	-123.2	-12.8	0	0	0	108.7
295	P	44.1	Very low	69.2	Low	193 Å²	193	110.8 Å²	110.8	100%	1.253	57%	0.574	S	S	*	*			trans	-59.6	0	-176.6	-22.4	32.2	0	0	0	115.5

Retrieved 295 of 295 residues in 906.1 ms (Link to these results)

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