A0A077ZFZ6_TRITR Loading...

Metallophos domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFZ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 247 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.5	Low	55.7	Low	255 Å²	255	154.7 Å²	154.7	100%	1.256	84%	0.843	S	S	*	*				0	100.2	0	-151.9	169.3	-175.5	0	0	106.3
2	S	54	Low	56	Low	131 Å²	131	154.2 Å²	154.2	92%	0.916	84%	0.837	S	S	*	*			trans	-146.9	137.4	174	-165.3	0	0	0	0	109.4
3	L	51.5	Low	56.4	Low	153 Å²	153	148.2 Å²	148.2	80%	0.801	82%	0.821	S	S	*	*			trans	-87.7	129.2	-144.7	-158.6	72.1	0	0	0	111.4	I5	L3-I5 PolarHBondContact O-N 3.26Å
4	M	51.8	Low	56.8	Low	166 Å²	166	145.7 Å²	145.7	82%	0.818	81%	0.813	S	S	*	*			trans	-65.7	110.7	169	-80.5	178	149.9	0	0	110.3
5	I	58.1	Low	57.1	Low	132 Å²	132	146.7 Å²	146.7	68%	0.677	81%	0.814	S	S	*	*			trans	-95.2	99.2	166	-61.1	174.3	0	0	0	107.4	L3 F7	L3-I5 PolarHBondContact O-N 3.26Å; I5-F7 HydrophobicContact CG2-CD2 4.21Å; I5-F7 HydrophobicContact CG2-CE2 4Å; I5-F7 HydrophobicContact CG2-CZ 4.48Å; I5-F7 PolarHBondContact O-N 3.47Å
6	K	57.6	Low	57.4	Low	179 Å²	179	146.9 Å²	146.9	78%	0.778	81%	0.811	S	S	*	*			trans	-83.2	106.7	169.5	-72.7	-175.5	177.9	-178.9	0	108.3	S8	K6-S8 PolarHBondContact O-N 3.09Å; K6-S8 VanDerWaalsContact O-N 3.09Å
7	F	57.1	Low	57.5	Low	193 Å²	193	143.7 Å²	143.7	85%	0.846	81%	0.809	S	S	*	*			trans	-66.6	103.9	167.5	-79.8	-87.6	0	0	0	109	I5 A9	I5-F7 HydrophobicContact CG2-CD2 4.21Å; I5-F7 HydrophobicContact CG2-CE2 4Å; I5-F7 HydrophobicContact CG2-CZ 4.48Å; I5-F7 PolarHBondContact O-N 3.47Å; F7-A9 PolarHBondContact O-N 2.96Å
8	S	60.4	Low	57.7	Low	109 Å²	109	139.9 Å²	139.9	76%	0.762	80%	0.798	S	S	*	*			trans	-84.7	98.9	166.4	-149.2	0	0	0	0	107.1	K6 T10	K6-S8 PolarHBondContact O-N 3.09Å; K6-S8 VanDerWaalsContact O-N 3.09Å; S8-T10 VanDerWaalsContact C-N 3.34Å; S8-T10 PolarHBondContact O-N 3.07Å
9	A	55.4	Low	57.8	Low	98 Å²	98	137.6 Å²	137.6	81%	0.81	79%	0.792	S	S	*	*			trans	-74.1	89.7	174	0	0	0	0	0	108.6	F7 L11	F7-A9 PolarHBondContact O-N 2.96Å; A9-L11 PolarHBondContact O-N 3.03Å; A9-L11 VanDerWaalsContact O-N 3.07Å
10	T	58.8	Low	58	Low	123 Å²	123	137.6 Å²	137.6	76%	0.755	79%	0.794	S	S	*	*			trans	-71.9	97.8	168.7	-38.8	0	0	0	0	107.6	S8 L12	S8-T10 VanDerWaalsContact C-N 3.34Å; S8-T10 PolarHBondContact O-N 3.07Å; T10-L12 VanDerWaalsContact C-N 3.33Å; T10-L12 PolarHBondContact O-N 3.4Å
11	L	56.8	Low	58.8	Low	163 Å²	163	137.8 Å²	137.8	85%	0.853	79%	0.792	S	S	*	*			trans	-69.6	92.6	172	-166.4	75.5	0	0	0	107.8	A9 A13	A9-L11 PolarHBondContact O-N 3.03Å; A9-L11 VanDerWaalsContact O-N 3.07Å; L11-A13 VanDerWaalsContact C-N 3.31Å; L11-A13 PolarHBondContact O-N 2.96Å
12	L	59.4	Low	60.3	Low	148 Å²	148	129.7 Å²	129.7	78%	0.775	77%	0.766	S	S	*	*			trans	-69.9	91.4	171.5	-166.9	73.7	0	0	0	107.4	T10 T14	T10-L12 VanDerWaalsContact C-N 3.33Å; T10-L12 PolarHBondContact O-N 3.4Å; L12-T14 VanDerWaalsContact C-N 3.34Å; L12-T14 PolarHBondContact O-N 2.97Å
13	A	60.9	Low	62	Low	76 Å²	76	125.8 Å²	125.8	63%	0.628	74%	0.742	S	S	*	*			trans	-69.2	94.1	171.8	0	0	0	0	0	108.3	L11 L15	L11-A13 VanDerWaalsContact C-N 3.31Å; L11-A13 PolarHBondContact O-N 2.96Å; A13-L15 PolarHBondContact O-N 2.98Å
14	T	62.1	Low	64.1	Low	114 Å²	114	122.2 Å²	122.2	70%	0.699	73%	0.726	S	S	*	*			trans	-65.1	98.9	170.9	-29	0	0	0	0	107.6	L12 I16	L12-T14 VanDerWaalsContact C-N 3.34Å; L12-T14 PolarHBondContact O-N 2.97Å; T14-I16 VanDerWaalsContact C-N 3.3Å; T14-I16 PolarHBondContact O-N 3.02Å
15	L	61.3	Low	66.3	Low	160 Å²	160	116.2 Å²	116.2	84%	0.838	70%	0.699	S	S	*	*			trans	-64.4	96.3	166.4	-106.2	89.3	0	0	0	107.2	A13 A17	A13-L15 PolarHBondContact O-N 2.98Å; L15-A17 PolarHBondContact O-N 2.95Å
16	I	61.3	Low	68.1	Low	150 Å²	150	114.7 Å²	114.7	77%	0.769	69%	0.692	S	S	*	*			trans	-72.3	92.9	162.7	-57.6	176	0	0	0	105	T14 A18	T14-I16 VanDerWaalsContact C-N 3.3Å; T14-I16 PolarHBondContact O-N 3.02Å; I16-A18 PolarHBondContact O-N 2.84Å
17	A	59.9	Low	70.1	Confident	93 Å²	93	108.5 Å²	108.5	77%	0.769	67%	0.667	S	S	*	*			trans	-67	83.3	163.7	0	0	0	0	0	107	L15 S19	L15-A17 PolarHBondContact O-N 2.95Å; A17-S19 PolarHBondContact O-N 2.9Å
18	A	60.2	Low	72.1	Confident	75 Å²	75	103 Å²	103	62%	0.62	64%	0.641	S	S	*	*			trans	-60.7	111	166.6	0	0	0	0	0	106.2	I16 V20	I16-A18 PolarHBondContact O-N 2.84Å; A18-V20 VanDerWaalsContact C-N 3.31Å; A18-V20 PolarHBondContact O-N 2.93Å
19	S	59.4	Low	73.9	Confident	97 Å²	97	101.6 Å²	101.6	68%	0.678	62%	0.624	S	S	*	*			trans	-59.3	98.8	168.4	43.5	0	0	0	0	107.3	A17 N21	A17-S19 PolarHBondContact O-N 2.9Å; S19-N21 PolarHBondContact O-N 2.89Å
20	V	63.3	Low	75.9	Confident	136 Å²	136	97.9 Å²	97.9	82%	0.824	59%	0.59	S	S	*	*			trans	-69.1	89.7	169.6	179.5	0	0	0	0	105.8	A18 A22	A18-V20 VanDerWaalsContact C-N 3.31Å; A18-V20 PolarHBondContact O-N 2.93Å; V20-A22 PolarHBondContact O-N 3.24Å
21	N	73.8	Confident	77.8	Confident	143 Å²	143	96.5 Å²	96.5	77%	0.765	58%	0.575	S	S	*	*	P	Polyproline II helix	trans	-66.7	120.9	166.9	-71.8	-34.5	0	0	0	106.8	S19 A23	S19-N21 PolarHBondContact O-N 2.89Å; N21-A23 PolarHBondContact O-N 2.98Å
22	A	82.8	Confident	79.8	Confident	85 Å²	85	89.2 Å²	89.2	70%	0.702	54%	0.537	S	S	*	.	P	Polyproline II helix	trans	-59.2	137.7	174.4	0	0	0	0	0	109.6	V20 T24	V20-A22 PolarHBondContact O-N 3.24Å; A22-T24 PolarHBondContact O-N 2.98Å
23	A	90.4	Very high	81.6	Confident	49 Å²	49	84.3 Å²	84.3	41%	0.405	51%	0.514	S	S	.	.	P	Polyproline II helix	trans	-58	131.1	175.4	0	0	0	0	0	109.6	N21 D167 Q173	N21-A23 PolarHBondContact O-N 2.98Å; A23-D167 HydrophobicContact CB-CB 4.03Å; A23-Q173 HydrophobicContact CB-CG 4.05Å
24	T	95.8	Very high	83.4	Confident	77 Å²	77	84.4 Å²	84.4	47%	0.472	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-99.6	122.6	175.6	-58.7	0	0	0	0	109.1	A22 D167 K168	A22-T24 PolarHBondContact O-N 2.98Å; T24-D167 CarbonylContact O-C 3.55Å; T24-D167 WeakPolarHBondContact O-CA 3.41Å; T24-D167 WeakPolarHBondContact O-CB 3.22Å; T24-K168 HydrophobicContact CG2-CD 3.71Å; T24-K168 HydrophobicContact CG2-CG 4.31Å; T24-K168 PolarHBondContact O-N 3.09Å
25	V	96.8	Very high	85.1	Confident	41 Å²	41	80 Å²	80	25%	0.248	48%	0.475	C	S	.	.			trans	-114.9	127.8	179.1	176.2	0	0	0	0	108.6	V165 D167	V25-V165 HydrophobicContact CB-CG2 4.46Å; V25-V165 HydrophobicContact CG1-CB 3.93Å; V25-V165 HydrophobicContact CG1-CG1 4.43Å; V25-V165 HydrophobicContact CG1-CG2 3.81Å; V25-V165 HydrophobicContact CG2-CG2 3.81Å; V25-D167 HydrophobicContact CG2-CB 4.1Å
26	D	97.6	Very high	86.9	Confident	99 Å²	99	74.2 Å²	74.2	53%	0.529	44%	0.444	S	S	.	.			trans	-89.6	120.5	163.6	-61.1	-35.7	0	0	0	107.8	N71 K168	D26-N71 WeakPolarHBondContact O-CB 3.34Å; D26-N71 PolarHBondContact O-ND2 3.29Å; D26-K168 WeakPolarHBondContact OD1-CE 3.45Å; D26-K168 IonicContact OD1-NZ 2.85Å; D26-K168 PolarHBondContact OD1-NZ 2.78Å; D26-K168 WeakPolarHBondContact OD2-CE 3.2Å; D26-K168 IonicContact OD2-NZ 3.38Å; D26-K168 PolarHBondContact OD2-NZ 2.76Å
27	L	98.2	Very high	88.7	Confident	50 Å²	50	67 Å²	67	26%	0.262	41%	0.407	S	S	.	.			trans	-118.4	129	179	176.2	68.6	0	0	0	109.5	I29 N71 L175 I177	L27-I29 HydrophobicContact CD2-CG1 4.35Å; L27-I29 HydrophobicContact CG-CG1 4.47Å; L27-N71 HydrophobicContact CD1-CB 4.06Å; L27-L175 HydrophobicContact CD2-CD2 3.97Å; L27-I177 HydrophobicContact CD2-CD1 3.83Å
28	R	98.6	Very high	90.5	Very high	78 Å²	78	64.3 Å²	64.3	29%	0.294	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.8	169.4	-175.5	174.4	-74.5	-173	-8.6	110.3	M30 A65 E68 V69 N71 S72 V73	R28-M30 HydrophobicContact CG-CG 3.89Å; R28-A65 PolarHBondContact NH1-O 2.86Å; R28-E68 IonicContact CZ-OE2 2.71Å; R28-E68 IonicContact NH1-OE2 3.03Å; R28-E68 PolarHBondContact NH1-OE2 3.31Å; R28-E68 IonicContact NH2-OE2 3.91Å; R28-E68 PolarHBondContact NH2-OE2 3.49Å; R28-V69 HydrophobicContact CB-CG2 3.92Å; R28-N71 PolarHBondContact N-O 2.68Å; R28-S72 CarbonylContact O-C 3.45Å; R28-S72 WeakPolarHBondContact O-CA 3.12Å; R28-V73 PolarHBondContact O-N 2.76Å
29	I	98.6	Very high	92.3	Very high	79 Å²	79	61.3 Å²	61.3	41%	0.405	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	118.9	168.7	-58	168.8	0	0	0	106.2	L27 V73 V75 V224	L27-I29 HydrophobicContact CD2-CG1 4.35Å; L27-I29 HydrophobicContact CG-CG1 4.47Å; I29-V73 HydrophobicContact CB-CG2 4.34Å; I29-V73 HydrophobicContact CG1-CG2 3.93Å; I29-V73 HydrophobicContact CG2-CG2 4.27Å; I29-V75 HydrophobicContact CG2-CG2 4.25Å; I29-V224 HydrophobicContact CD1-CG1 4.38Å; I29-V224 HydrophobicContact CD1-CG2 3.63Å
30	M	98.7	Very high	94.1	Very high	19 Å²	19	61.1 Å²	61.1	9%	0.094	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	146	174.5	-57.5	178	-60.9	0	0	108	R28 I62 A65 R66 V73 L74 V75	R28-M30 HydrophobicContact CG-CG 3.89Å; M30-I62 HydrophobicContact CE-CG2 4.34Å; M30-A65 HydrophobicContact SD-CB 3.65Å; M30-R66 HydrophobicContact CE-CB 4.21Å; M30-V73 PolarHBondContact N-O 3.38Å; M30-L74 HydrophobicContact CB-CD1 3.83Å; M30-L74 HydrophobicContact CE-CB 4.33Å; M30-L74 CarbonylContact O-C 3.56Å; M30-L74 WeakPolarHBondContact O-CA 2.83Å; M30-V75 PolarHBondContact O-N 2.74Å
31	E	98.3	Very high	95.6	Very high	94 Å²	94	57.6 Å²	57.6	44%	0.439	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	146.7	-172.7	175.4	-99.1	168.8	0	0	111	T33 V75 N77	E31-T33 VanDerWaalsContact OE1-CB 3.29Å; E31-T33 WeakPolarHBondContact OE1-CB 3.02Å; E31-V75 VanDerWaalsContact CA-O 3.28Å; E31-V75 WeakPolarHBondContact CA-O 3.47Å; E31-V75 HydrophobicContact CB-CG2 3.76Å; E31-V75 HydrophobicContact CG-CG2 3.9Å; E31-N77 HydrophobicContact CG-CB 4.21Å; E31-N77 WeakPolarHBondContact OE1-CB 3.35Å
32	T	98.6	Very high	96.8	Very high	10 Å²	10	53.6 Å²	53.6	6%	0.061	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	151.2	165.3	55.6	0	0	0	0	109.8	T58 I62 V75 D76 N77 Y112	T32-T58 HydrophobicContact CG2-CG2 4.21Å; T32-I62 HydrophobicContact CG2-CD1 4.16Å; T32-V75 PolarHBondContact N-O 2.85Å; T32-V75 VanDerWaalsContact N-O 3.11Å; T32-D76 CarbonylContact O-C 3.54Å; T32-D76 WeakPolarHBondContact O-CA 3.34Å; T32-D76 PolarHBondContact OG1-OD1 3.33Å; T32-N77 PolarHBondContact O-N 3.49Å; T32-Y112 VanDerWaalsContact CG2-OH 3.24Å; T32-Y112 WeakPolarHBondContact CG2-OH 3.29Å; T32-Y112 VanDerWaalsContact OG1-CE1 3.31Å; T32-Y112 WeakPolarHBondContact OG1-CE1 3.46Å; T32-Y112 PolarHBondContact OG1-OH 2.86Å
33	T	98.3	Very high	97.5	Very high	46 Å²	46	50.2 Å²	50.2	28%	0.282	27%	0.265	S	S	.	.			trans	-152.9	162	174.5	-166.9	0	0	0	0	108.5	E31 L35	E31-T33 VanDerWaalsContact OE1-CB 3.29Å; E31-T33 WeakPolarHBondContact OE1-CB 3.02Å; T33-L35 PolarHBondContact O-N 2.86Å
34	D	98.1	Very high	97.7	Very high	77 Å²	77	51.8 Å²	51.8	41%	0.412	26%	0.261	S	S	.	.			trans	54.5	37	167.8	-60	-116.8	0	0	0	112.9	H36 G78 H228	D34-H36 PolarHBondContact O-CD2 2.72Å; D34-H36 VanDerWaalsContact O-CD2 3.26Å; D34-H36 PolarHBondContact O-N 3.01Å; D34-H36 IonicContact OD1-NE2 3.78Å; D34-G78 PolarHBondContact N-O 2.8Å; D34-H228 IonicContact OD2-CE1 3.33Å
35	L	98.2	Very high	97.7	Very high	21 Å²	21	56.1 Å²	56.1	11%	0.11	27%	0.27	C	S	.	.			trans	-69.6	-27.2	176.8	-67.2	178.9	0	0	0	111.2	T33 S37 N38 M39 L55 D79 L80 L107	T33-L35 PolarHBondContact O-N 2.86Å; L35-S37 PolarHBondContact O-N 2.93Å; L35-S37 VanDerWaalsContact O-N 3.15Å; L35-N38 VanDerWaalsContact O-CB 3.22Å; L35-N38 WeakPolarHBondContact O-CB 3.43Å; L35-N38 PolarHBondContact O-N 2.83Å; L35-N38 PolarHBondContact O-ND2 3.28Å; L35-M39 HydrophobicContact CB-CE 3.75Å; L35-M39 HydrophobicContact CD1-CE 3.91Å; L35-M39 HydrophobicContact CG-CE 4.4Å; L35-L55 HydrophobicContact CD1-CB 4.45Å; L35-L55 HydrophobicContact CD1-CD1 3.92Å; L35-L55 HydrophobicContact CD1-CD2 4.27Å; L35-L55 HydrophobicContact CD1-CG 4.44Å; L35-D79 PolarHBondContact N-O 3.25Å; L35-L80 HydrophobicContact CB-CD2 3.95Å; L35-L80 HydrophobicContact CD1-CD2 3.67Å; L35-L80 HydrophobicContact CG-CD2 4.1Å; L35-L107 HydrophobicContact CD1-CD1 4.44Å
36	H	98.3	Very high	97.6	Very high	39 Å²	39	61 Å²	61	18%	0.181	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	40.7	177.7	-70.9	-77.5	0	0	0	114.7	D34 N38 D79 Q82 S84 H120	D34-H36 PolarHBondContact O-CD2 2.72Å; D34-H36 VanDerWaalsContact O-CD2 3.26Å; D34-H36 PolarHBondContact O-N 3.01Å; D34-H36 IonicContact OD1-NE2 3.78Å; H36-N38 PolarHBondContact O-N 2.82Å; H36-N38 VanDerWaalsContact O-N 3.09Å; H36-N38 PolarHBondContact O-ND2 3.28Å; H36-D79 PolarHBondContact N-O 2.93Å; H36-Q82 CarbonylContact C-O 3.52Å; H36-Q82 WeakPolarHBondContact CA-O 3.43Å; H36-Q82 WeakPolarHBondContact CB-O 3.27Å; H36-Q82 PolarHBondContact ND1-O 3.48Å; H36-Q82 PolarHBondContact ND1-OE1 3.49Å; H36-S84 WeakPolarHBondContact O-CB 3.4Å; H36-S84 PolarHBondContact O-N 2.55Å; H36-S84 PolarHBondContact O-OG 3.12Å; H36-H120 AromaticContact CE1-CD2 3.46Å; H36-H120 PolarHBondContact CE1-CD2 3.03Å; H36-H120 VanDerWaalsContact CE1-CD2 3.46Å; H36-H120 AromaticContact CE1-NE2 3.98Å
37	S	98	Very high	97.5	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.9	15.3	-174.5	-64.7	0	0	0	0	115.2	L35 M39 L80 S84 L86 V103	L35-S37 PolarHBondContact O-N 2.93Å; L35-S37 VanDerWaalsContact O-N 3.15Å; S37-M39 PolarHBondContact O-N 3.01Å; S37-L80 WeakPolarHBondContact CA-O 3.29Å; S37-L80 PolarHBondContact N-O 2.9Å; S37-L80 PolarHBondContact OG-O 3Å; S37-S84 VanDerWaalsContact CB-OG 3.26Å; S37-S84 WeakPolarHBondContact CB-OG 3.39Å; S37-L86 WeakPolarHBondContact O-CD2 3.48Å; S37-V103 WeakPolarHBondContact OG-CG2 3.48Å
38	N	98	Very high	97.5	Very high	36 Å²	36	63.7 Å²	63.7	19%	0.193	31%	0.305	C	S	.	.			trans	-75.7	76.2	170.4	-63.7	-74.1	0	0	0	110	L35 H36 F53 G54 L55	L35-N38 VanDerWaalsContact O-CB 3.22Å; L35-N38 WeakPolarHBondContact O-CB 3.43Å; L35-N38 PolarHBondContact O-N 2.83Å; L35-N38 PolarHBondContact O-ND2 3.28Å; H36-N38 PolarHBondContact O-N 2.82Å; H36-N38 VanDerWaalsContact O-N 3.09Å; H36-N38 PolarHBondContact O-ND2 3.28Å; N38-F53 HydrophobicContact CB-CD2 3.9Å; N38-F53 HydrophobicContact CB-CE2 4.35Å; N38-G54 CarbonylContact O-C 3.44Å; N38-G54 VanDerWaalsContact O-CA 3.26Å; N38-G54 WeakPolarHBondContact O-CA 3.46Å; N38-L55 PolarHBondContact O-N 3.21Å
39	M	97.8	Very high	97.5	Very high	11 Å²	11	63.4 Å²	63.4	5%	0.054	32%	0.32	C	S	.	.			trans	-84.7	-33.1	-176.8	-59.5	-62	93.6	0	0	112.6	L35 S37 L55 V56 L86 V103 A106 L107	L35-M39 HydrophobicContact CB-CE 3.75Å; L35-M39 HydrophobicContact CD1-CE 3.91Å; L35-M39 HydrophobicContact CG-CE 4.4Å; S37-M39 PolarHBondContact O-N 3.01Å; M39-L55 HydrophobicContact CE-CB 3.99Å; M39-L55 HydrophobicContact CE-CD2 4.24Å; M39-L55 PolarHBondContact O-N 3.04Å; M39-L55 HydrophobicContact SD-CB 4.04Å; M39-L55 HydrophobicContact SD-CD2 3.64Å; M39-V56 PolarHBondContact O-N 2.77Å; M39-L86 HydrophobicContact CG-CD2 4.39Å; M39-V103 HydrophobicContact CE-CG1 4.2Å; M39-V103 HydrophobicContact CE-CG2 4.32Å; M39-V103 HydrophobicContact CG-CG2 4.07Å; M39-V103 HydrophobicContact SD-CB 4.12Å; M39-V103 HydrophobicContact SD-CG1 3.87Å; M39-V103 HydrophobicContact SD-CG2 4Å; M39-A106 HydrophobicContact CG-CB 4.43Å; M39-A106 HydrophobicContact SD-CB 3.95Å; M39-L107 HydrophobicContact SD-CD1 4.17Å
40	M	97.3	Very high	97.4	Very high	93 Å²	93	60.6 Å²	60.6	46%	0.458	31%	0.306	S	S	.	.	S	Bend	trans	-101.3	159.7	-178.2	-55	-54.7	-62.9	0	0	110.8	F42 G54	M40-F42 HydrophobicContact CB-CB 4.23Å; M40-F42 PolarHBondContact O-N 2.91Å; M40-G54 WeakPolarHBondContact O-CA 3.2Å
41	D	96.5	Very high	97.2	Very high	63 Å²	63	67.2 Å²	67.2	34%	0.337	34%	0.337	S	S	.	.	S	Bend	trans	-78.6	48.5	171.2	58.8	-19.2	0	0	0	111.4	A49 T50 V56 R57	D41-A49 WeakPolarHBondContact O-CA 3.47Å; D41-T50 WeakPolarHBondContact CB-O 3.41Å; D41-T50 PolarHBondContact O-N 3.3Å; D41-V56 HydrophobicContact CB-CG1 3.83Å; D41-R57 HydrophobicContact CB-CG 3.97Å
42	F	97.6	Very high	97.1	Very high	59 Å²	59	71.7 Å²	71.7	26%	0.259	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	127.5	-174.4	-164.4	-92.8	0	0	0	111.5	M40 Y44 D47	M40-F42 HydrophobicContact CB-CB 4.23Å; M40-F42 PolarHBondContact O-N 2.91Å; F42-Y44 AromaticContact CD1-CD1 3.56Å; F42-Y44 HydrophobicContact CD1-CD1 3.56Å; F42-Y44 AromaticContact CD1-CE1 3.74Å; F42-Y44 HydrophobicContact CD1-CE1 3.74Å; F42-Y44 AromaticContact CD1-CG 3.99Å; F42-Y44 HydrophobicContact CD1-CG 3.99Å; F42-Y44 AromaticContact CE1-CD1 3.9Å; F42-Y44 HydrophobicContact CE1-CD1 3.9Å; F42-Y44 HydrophobicContact CE1-CE1 4.32Å; F42-Y44 HydrophobicContact CE1-CG 4.5Å; F42-Y44 PolarHBondContact O-N 3.4Å; F42-D47 WeakPolarHBondContact CZ-OD1 3.32Å
43	D	97	Very high	96.9	Very high	13 Å²	13	74.5 Å²	74.5	7%	0.07	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	97.2	173.2	-175.9	-22.2	0	0	0	109.1	Y45 K46 D47 T48 T50 F53	D43-Y45 PolarHBondContact O-N 2.97Å; D43-Y45 WeakPolarHBondContact OD1-CB 3.49Å; D43-Y45 PolarHBondContact OD1-N 2.78Å; D43-K46 HydrophobicContact CB-CB 4.39Å; D43-K46 PolarHBondContact O-N 2.88Å; D43-K46 PolarHBondContact OD1-N 3.45Å; D43-K46 IonicContact OD2-NZ 2.68Å; D43-K46 PolarHBondContact OD2-NZ 3.07Å; D43-D47 PolarHBondContact O-N 2.74Å; D43-T48 PolarHBondContact N-O 2.73Å; D43-T48 PolarHBondContact O-N 2.88Å; D43-T50 HydrophobicContact CB-CG2 4.22Å; D43-F53 HydrophobicContact CB-CZ 3.99Å
44	Y	95.7	Very high	96.9	Very high	83 Å²	83	72.5 Å²	72.5	33%	0.325	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-19	-179.2	-64.6	-74.5	0	0	0	114.3	F42 P85 L86	F42-Y44 AromaticContact CD1-CD1 3.56Å; F42-Y44 HydrophobicContact CD1-CD1 3.56Å; F42-Y44 AromaticContact CD1-CE1 3.74Å; F42-Y44 HydrophobicContact CD1-CE1 3.74Å; F42-Y44 AromaticContact CD1-CG 3.99Å; F42-Y44 HydrophobicContact CD1-CG 3.99Å; F42-Y44 AromaticContact CE1-CD1 3.9Å; F42-Y44 HydrophobicContact CE1-CD1 3.9Å; F42-Y44 HydrophobicContact CE1-CE1 4.32Å; F42-Y44 HydrophobicContact CE1-CG 4.5Å; F42-Y44 PolarHBondContact O-N 3.4Å; Y44-P85 HydrophobicContact CG-CB 4.38Å; Y44-L86 HydrophobicContact CE2-CB 4.3Å
45	Y	95	Very high	96.9	Very high	168 Å²	168	69 Å²	69	66%	0.659	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-31.3	177.2	-66.6	-73.6	0	0	0	112.3	D43 P85	D43-Y45 PolarHBondContact O-N 2.97Å; D43-Y45 WeakPolarHBondContact OD1-CB 3.49Å; D43-Y45 PolarHBondContact OD1-N 2.78Å; Y45-P85 HydrophobicContact CD1-CG 4.15Å; Y45-P85 HydrophobicContact CD2-CG 4.39Å; Y45-P85 HydrophobicContact CE1-CG 3.76Å; Y45-P85 HydrophobicContact CE2-CG 4.03Å; Y45-P85 HydrophobicContact CG-CG 4.45Å
46	K	96.3	Very high	96.8	Very high	144 Å²	144	71.3 Å²	71.3	63%	0.626	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.2	-5.7	179.1	-64.9	-169.5	-161.9	99.3	0	113.8	D43 T48	D43-K46 HydrophobicContact CB-CB 4.39Å; D43-K46 PolarHBondContact O-N 2.88Å; D43-K46 PolarHBondContact OD1-N 3.45Å; D43-K46 IonicContact OD2-NZ 2.68Å; D43-K46 PolarHBondContact OD2-NZ 3.07Å; K46-T48 VanDerWaalsContact C-N 3.32Å; K46-T48 HydrophobicContact CB-CG2 3.73Å; K46-T48 PolarHBondContact O-N 2.94Å
47	D	95.7	Very high	96.8	Very high	134 Å²	134	74 Å²	74	72%	0.717	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	46.8	-176.6	-162.9	34.4	0	0	0	112.3	F42 D43	F42-D47 WeakPolarHBondContact CZ-OD1 3.32Å; D43-D47 PolarHBondContact O-N 2.74Å
48	T	98	Very high	96.8	Very high	71 Å²	71	76.2 Å²	76.2	44%	0.436	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	155.2	-178.2	-175.3	0	0	0	0	112	D43 K46	D43-T48 PolarHBondContact N-O 2.73Å; D43-T48 PolarHBondContact O-N 2.88Å; K46-T48 VanDerWaalsContact C-N 3.32Å; K46-T48 HydrophobicContact CB-CG2 3.73Å; K46-T48 PolarHBondContact O-N 2.94Å
49	A	97.9	Very high	96.8	Very high	72 Å²	72	75.6 Å²	75.6	60%	0.595	37%	0.373	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60	150.9	167.6	0	0	0	0	0	111.5	D41	D41-A49 WeakPolarHBondContact O-CA 3.47Å
50	T	97	Very high	96.8	Very high	19 Å²	19	78.1 Å²	78.1	12%	0.117	39%	0.391	C	S	.	.			trans	-141.5	138.7	179.2	179.2	0	0	0	0	111.6	D41 D43 K52 F53	D41-T50 WeakPolarHBondContact CB-O 3.41Å; D41-T50 PolarHBondContact O-N 3.3Å; D43-T50 HydrophobicContact CB-CG2 4.22Å; T50-K52 PolarHBondContact OG1-N 2.95Å; T50-F53 HydrophobicContact CG2-CD1 4.39Å; T50-F53 HydrophobicContact CG2-CD2 3.99Å; T50-F53 HydrophobicContact CG2-CE1 4.06Å; T50-F53 HydrophobicContact CG2-CE2 3.64Å; T50-F53 HydrophobicContact CG2-CG 4.37Å; T50-F53 HydrophobicContact CG2-CZ 3.69Å
51	E	94.3	Very high	96.8	Very high	159 Å²	159	79.1 Å²	79.1	74%	0.743	40%	0.398	S	S	*	.	S	Bend	trans	-91.6	-2.1	174.6	-65.2	-178.2	-175.3	0	0	113.1	R57	E51-R57 PolarHBondContact O-NE 2.68Å
52	K	94.9	Very high	96.9	Very high	188 Å²	188	76.8 Å²	76.8	82%	0.817	39%	0.386	S	S	*	.	S	Bend	trans	-85.6	-30.2	-167.2	-61.7	-173.9	178.4	-173.8	0	114.5	T50	T50-K52 PolarHBondContact OG1-N 2.95Å
53	F	95.3	Very high	96.9	Very high	68 Å²	68	78 Å²	78	30%	0.298	40%	0.395	S	S	.	.			trans	-152.4	173.9	-174.2	55.9	-105.2	0	0	0	110.6	N38 D43 T50 R57	N38-F53 HydrophobicContact CB-CD2 3.9Å; N38-F53 HydrophobicContact CB-CE2 4.35Å; D43-F53 HydrophobicContact CB-CZ 3.99Å; T50-F53 HydrophobicContact CG2-CD1 4.39Å; T50-F53 HydrophobicContact CG2-CD2 3.99Å; T50-F53 HydrophobicContact CG2-CE1 4.06Å; T50-F53 HydrophobicContact CG2-CE2 3.64Å; T50-F53 HydrophobicContact CG2-CG 4.37Å; T50-F53 HydrophobicContact CG2-CZ 3.69Å; F53-R57 WeakPolarHBondContact O-CD 3.43Å
54	G	97.4	Very high	97	Very high	4 Å²	4	81.5 Å²	81.5	4%	0.041	41%	0.414	C	S	.	.			trans	123.8	124.7	-179.8	0	0	0	0	0	111.6	N38 M40 V56 R57 T58	N38-G54 CarbonylContact O-C 3.44Å; N38-G54 VanDerWaalsContact O-CA 3.26Å; N38-G54 WeakPolarHBondContact O-CA 3.46Å; M40-G54 WeakPolarHBondContact O-CA 3.2Å; G54-V56 PolarHBondContact O-N 2.86Å; G54-V56 VanDerWaalsContact O-N 3.15Å; G54-R57 WeakPolarHBondContact O-CB 3.3Å; G54-R57 PolarHBondContact O-N 2.96Å; G54-T58 PolarHBondContact O-N 2.86Å
55	L	98.3	Very high	97.1	Very high	4 Å²	4	78.6 Å²	78.6	2%	0.021	41%	0.406	C	S	.	.	H	α-helix	trans	-55.5	-31.9	175.3	-177.3	60.7	0	0	0	112.1	L35 N38 M39 R57 T58 A59 A106 L107 L110	L35-L55 HydrophobicContact CD1-CB 4.45Å; L35-L55 HydrophobicContact CD1-CD1 3.92Å; L35-L55 HydrophobicContact CD1-CD2 4.27Å; L35-L55 HydrophobicContact CD1-CG 4.44Å; N38-L55 PolarHBondContact O-N 3.21Å; M39-L55 HydrophobicContact CE-CB 3.99Å; M39-L55 HydrophobicContact CE-CD2 4.24Å; M39-L55 PolarHBondContact O-N 3.04Å; M39-L55 HydrophobicContact SD-CB 4.04Å; M39-L55 HydrophobicContact SD-CD2 3.64Å; L55-R57 PolarHBondContact O-N 2.83Å; L55-T58 CarbonylContact O-C 3.54Å; L55-T58 PolarHBondContact O-N 3.46Å; L55-A59 VanDerWaalsContact O-CB 3.23Å; L55-A59 WeakPolarHBondContact O-CB 3.15Å; L55-A59 PolarHBondContact O-N 3.09Å; L55-A106 HydrophobicContact CD2-CB 3.91Å; L55-L107 HydrophobicContact CD2-CD1 3.51Å; L55-L107 HydrophobicContact CD2-CG 4.18Å; L55-L110 HydrophobicContact CD1-CD1 3.67Å; L55-L110 HydrophobicContact CD2-CD1 4.07Å; L55-L110 HydrophobicContact CG-CD1 3.94Å
56	V	97.4	Very high	97.3	Very high	70 Å²	70	73.4 Å²	73.4	42%	0.424	39%	0.386	S	S	.	.	H	α-helix	trans	-56.9	-34.1	174.4	70.3	0	0	0	0	112.9	M39 D41 G54	M39-V56 PolarHBondContact O-N 2.77Å; D41-V56 HydrophobicContact CB-CG1 3.83Å; G54-V56 PolarHBondContact O-N 2.86Å; G54-V56 VanDerWaalsContact O-N 3.15Å
57	R	97	Very high	97.4	Very high	96 Å²	96	72 Å²	72	36%	0.362	39%	0.385	S	S	.	.	H	α-helix	trans	-77.5	-48.6	175.6	-57.3	-177.2	68.9	79.1	-1.9	110	D41 E51 F53 G54 L55 A59 S60	D41-R57 HydrophobicContact CB-CG 3.97Å; E51-R57 PolarHBondContact O-NE 2.68Å; F53-R57 WeakPolarHBondContact O-CD 3.43Å; G54-R57 WeakPolarHBondContact O-CB 3.3Å; G54-R57 PolarHBondContact O-N 2.96Å; L55-R57 PolarHBondContact O-N 2.83Å; R57-A59 PolarHBondContact O-N 3.21Å; R57-S60 PolarHBondContact O-N 2.94Å; R57-S60 PolarHBondContact O-OG 3.14Å
58	T	97.9	Very high	97.5	Very high	45 Å²	45	72 Å²	72	28%	0.276	38%	0.381	S	S	.	.	H	α-helix	trans	-59	-34.2	178.1	-52.3	0	0	0	0	112.4	T32 G54 L55 S60 L61 I62	T32-T58 HydrophobicContact CG2-CG2 4.21Å; G54-T58 PolarHBondContact O-N 2.86Å; L55-T58 CarbonylContact O-C 3.54Å; L55-T58 PolarHBondContact O-N 3.46Å; T58-S60 VanDerWaalsContact C-N 3.28Å; T58-S60 PolarHBondContact O-N 3.46Å; T58-L61 WeakPolarHBondContact O-CB 3.37Å; T58-L61 PolarHBondContact O-N 3.3Å; T58-L61 VanDerWaalsContact O-N 3.09Å; T58-I62 HydrophobicContact CG2-CD1 3.89Å; T58-I62 HydrophobicContact CG2-CG1 4.18Å; T58-I62 WeakPolarHBondContact O-CG1 3.39Å; T58-I62 PolarHBondContact O-N 3.39Å
59	A	98.3	Very high	97.5	Very high	24 Å²	24	70.9 Å²	70.9	20%	0.198	37%	0.374	C	S	.	.	H	α-helix	trans	-56.2	-40.1	177.5	0	0	0	0	0	112.8	L55 R57 I62 N63 L110	L55-A59 VanDerWaalsContact O-CB 3.23Å; L55-A59 WeakPolarHBondContact O-CB 3.15Å; L55-A59 PolarHBondContact O-N 3.09Å; R57-A59 PolarHBondContact O-N 3.21Å; A59-I62 PolarHBondContact O-N 2.68Å; A59-N63 PolarHBondContact O-N 3.21Å; A59-L110 HydrophobicContact CB-CD1 4.11Å; A59-L110 HydrophobicContact CB-CD2 3.59Å; A59-L110 HydrophobicContact CB-CG 4.49Å
60	S	97.2	Very high	97.5	Very high	63 Å²	63	74.5 Å²	74.5	44%	0.441	38%	0.376	S	S	.	.	H	α-helix	trans	-64.7	-44.3	175.8	66.2	0	0	0	0	111.5	R57 T58 I62 N63 D64	R57-S60 PolarHBondContact O-N 2.94Å; R57-S60 PolarHBondContact O-OG 3.14Å; T58-S60 VanDerWaalsContact C-N 3.28Å; T58-S60 PolarHBondContact O-N 3.46Å; S60-I62 PolarHBondContact O-N 3.22Å; S60-N63 PolarHBondContact O-N 3.18Å; S60-D64 PolarHBondContact O-N 3.26Å
61	L	97.9	Very high	97.6	Very high	114 Å²	114	74.2 Å²	74.2	60%	0.597	37%	0.374	S	S	*	.	H	α-helix	trans	-64.2	-38.9	176.9	-57	178.2	0	0	0	112.3	T58 N63 D64 A65	T58-L61 WeakPolarHBondContact O-CB 3.37Å; T58-L61 PolarHBondContact O-N 3.3Å; T58-L61 VanDerWaalsContact O-N 3.09Å; L61-N63 VanDerWaalsContact C-N 3.34Å; L61-D64 PolarHBondContact O-N 3.29Å; L61-A65 WeakPolarHBondContact O-CB 3.43Å; L61-A65 PolarHBondContact O-N 2.74Å
62	I	98.7	Very high	97.8	Very high	15 Å²	15	67.8 Å²	67.8	8%	0.077	35%	0.347	C	S	.	.	H	α-helix	trans	-61.4	-44.8	174.5	-72.6	166.6	0	0	0	110.4	M30 T32 T58 A59 S60 R66 L74 L110	M30-I62 HydrophobicContact CE-CG2 4.34Å; T32-I62 HydrophobicContact CG2-CD1 4.16Å; T58-I62 HydrophobicContact CG2-CD1 3.89Å; T58-I62 HydrophobicContact CG2-CG1 4.18Å; T58-I62 WeakPolarHBondContact O-CG1 3.39Å; T58-I62 PolarHBondContact O-N 3.39Å; A59-I62 PolarHBondContact O-N 2.68Å; S60-I62 PolarHBondContact O-N 3.22Å; I62-R66 VanDerWaalsContact O-CB 3.3Å; I62-R66 WeakPolarHBondContact O-CB 3.47Å; I62-R66 PolarHBondContact O-N 2.76Å; I62-L74 HydrophobicContact CD1-CD1 4.1Å; I62-L74 HydrophobicContact CD1-CD2 4.19Å; I62-L74 HydrophobicContact CG1-CD1 4.32Å; I62-L74 HydrophobicContact CG2-CD1 4.39Å; I62-L74 HydrophobicContact CG2-CD2 3.91Å; I62-L110 HydrophobicContact CD1-CD1 4.21Å
63	N	98.3	Very high	98	Very high	84 Å²	84	59.1 Å²	59.1	45%	0.449	31%	0.309	S	S	.	.	H	α-helix	trans	-64.7	-44.9	178.9	178.6	75.4	0	0	0	111.7	A59 S60 L61 R66 N67	A59-N63 PolarHBondContact O-N 3.21Å; S60-N63 PolarHBondContact O-N 3.18Å; L61-N63 VanDerWaalsContact C-N 3.34Å; N63-R66 PolarHBondContact O-N 3.49Å; N63-N67 PolarHBondContact ND2-ND2 2.9Å; N63-N67 VanDerWaalsContact O-CG 3.29Å; N63-N67 PolarHBondContact O-N 3.34Å; N63-N67 VanDerWaalsContact O-N 3.07Å; N63-N67 PolarHBondContact O-ND2 3.11Å
64	D	98.6	Very high	98.2	Very high	87 Å²	87	55.9 Å²	55.9	47%	0.465	30%	0.295	S	S	.	.	H	α-helix	trans	-63.4	-48	178.1	-67.4	-11	0	0	0	110.8	S60 L61 R66 N67 E68	S60-D64 PolarHBondContact O-N 3.26Å; L61-D64 PolarHBondContact O-N 3.29Å; D64-R66 VanDerWaalsContact C-N 3.27Å; D64-R66 PolarHBondContact O-N 3.25Å; D64-N67 PolarHBondContact O-N 2.92Å; D64-E68 WeakPolarHBondContact O-CG 3.46Å; D64-E68 PolarHBondContact O-N 3.28Å; D64-E68 VanDerWaalsContact O-N 3.12Å
65	A	98.6	Very high	98.2	Very high	21 Å²	21	55.8 Å²	55.8	17%	0.174	29%	0.294	C	S	.	.	H	α-helix	trans	-61.7	-32.3	176.9	0	0	0	0	0	113.1	R28 M30 L61	R28-A65 PolarHBondContact NH1-O 2.86Å; M30-A65 HydrophobicContact SD-CB 3.65Å; L61-A65 WeakPolarHBondContact O-CB 3.43Å; L61-A65 PolarHBondContact O-N 2.74Å
66	R	98.2	Very high	98.3	Very high	60 Å²	60	55.6 Å²	55.6	23%	0.226	29%	0.293	C	S	.	.	H	α-helix	trans	-68.1	-38.9	173.2	-176.5	176.4	-69.5	-122.7	11.7	111.6	M30 I62 N63 D64 E68 L110 D111	M30-R66 HydrophobicContact CE-CB 4.21Å; I62-R66 VanDerWaalsContact O-CB 3.3Å; I62-R66 WeakPolarHBondContact O-CB 3.47Å; I62-R66 PolarHBondContact O-N 2.76Å; N63-R66 PolarHBondContact O-N 3.49Å; D64-R66 VanDerWaalsContact C-N 3.27Å; D64-R66 PolarHBondContact O-N 3.25Å; R66-E68 VanDerWaalsContact C-N 3.32Å; R66-E68 PolarHBondContact O-N 2.82Å; R66-L110 PolarHBondContact NH2-O 3.33Å; R66-D111 IonicContact CZ-OD2 3.01Å; R66-D111 IonicContact NH1-OD2 2.72Å; R66-D111 PolarHBondContact NH1-OD2 2.86Å; R66-D111 PolarHBondContact NH2-O 2.81Å; R66-D111 VanDerWaalsContact NH2-O 3.14Å; R66-D111 IonicContact NH2-OD2 3.36Å; R66-D111 PolarHBondContact NH2-OD2 2.87Å
67	N	98.2	Very high	98.3	Very high	115 Å²	115	53.2 Å²	53.2	62%	0.615	28%	0.278	S	S	*	.	H	α-helix	trans	-75.6	-18	-178.6	-68.9	-36.7	0	0	0	113.8	N63 D64 V69	N63-N67 PolarHBondContact ND2-ND2 2.9Å; N63-N67 VanDerWaalsContact O-CG 3.29Å; N63-N67 PolarHBondContact O-N 3.34Å; N63-N67 VanDerWaalsContact O-N 3.07Å; N63-N67 PolarHBondContact O-ND2 3.11Å; D64-N67 PolarHBondContact O-N 2.92Å; N67-V69 VanDerWaalsContact C-N 3.3Å; N67-V69 PolarHBondContact O-N 2.99Å
68	E	98.5	Very high	98.4	Very high	133 Å²	133	48.7 Å²	48.7	62%	0.621	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.4	175.3	-73.5	173.3	-169.6	0	0	114	R28 D64 R66	R28-E68 IonicContact CZ-OE2 2.71Å; R28-E68 IonicContact NH1-OE2 3.03Å; R28-E68 PolarHBondContact NH1-OE2 3.31Å; R28-E68 IonicContact NH2-OE2 3.91Å; R28-E68 PolarHBondContact NH2-OE2 3.49Å; D64-E68 WeakPolarHBondContact O-CG 3.46Å; D64-E68 PolarHBondContact O-N 3.28Å; D64-E68 VanDerWaalsContact O-N 3.12Å; R66-E68 VanDerWaalsContact C-N 3.32Å; R66-E68 PolarHBondContact O-N 2.82Å
69	V	98.3	Very high	98.4	Very high	48 Å²	48	46.7 Å²	46.7	29%	0.291	25%	0.248	S	C	.	.			trans	-133.7	157.9	-171.6	-62.6	0	0	0	0	112	R28 N67	R28-V69 HydrophobicContact CB-CG2 3.92Å; N67-V69 VanDerWaalsContact C-N 3.3Å; N67-V69 PolarHBondContact O-N 2.99Å
70	K	97.9	Very high	98.4	Very high	147 Å²	147	45.5 Å²	45.5	64%	0.639	24%	0.239	S	C	*	.	S	Bend	trans	-77.3	-32.6	177.7	-64	-178.3	-176.8	174.8	0	113.1	V166	K70-V166 HydrophobicContact CB-CB 4.44Å; K70-V166 HydrophobicContact CD-CB 4.22Å; K70-V166 HydrophobicContact CD-CG1 3.99Å
71	N	98.6	Very high	98.5	Very high	13 Å²	13	42.5 Å²	42.5	7%	0.07	22%	0.218	C	C	.	.			trans	-128.9	117.8	-173.1	-43.2	-58.7	0	0	0	109.5	D26 L27 R28 V165 V166	D26-N71 WeakPolarHBondContact O-CB 3.34Å; D26-N71 PolarHBondContact O-ND2 3.29Å; L27-N71 HydrophobicContact CD1-CB 4.06Å; R28-N71 PolarHBondContact N-O 2.68Å; N71-V165 HydrophobicContact CB-CB 4.28Å; N71-V165 HydrophobicContact CB-CG1 4.13Å; N71-V165 VanDerWaalsContact OD1-CA 3.32Å; N71-V165 WeakPolarHBondContact OD1-CA 3.23Å; N71-V165 WeakPolarHBondContact OD1-CB 3.37Å; N71-V166 PolarHBondContact ND2-O 3.48Å; N71-V166 PolarHBondContact OD1-N 2.69Å
72	S	98.6	Very high	98.5	Very high	25 Å²	25	39.1 Å²	39.1	18%	0.175	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	148.1	172.9	66.4	0	0	0	0	111.6	R28	R28-S72 CarbonylContact O-C 3.45Å; R28-S72 WeakPolarHBondContact O-CA 3.12Å
73	V	98.8	Very high	98.3	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.03	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.3	167.5	-63.5	0	0	0	0	109.2	R28 I29 M30 T163 I177	R28-V73 PolarHBondContact O-N 2.76Å; I29-V73 HydrophobicContact CB-CG2 4.34Å; I29-V73 HydrophobicContact CG1-CG2 3.93Å; I29-V73 HydrophobicContact CG2-CG2 4.27Å; M30-V73 PolarHBondContact N-O 3.38Å; V73-T163 HydrophobicContact CG1-CG2 4.31Å; V73-I177 HydrophobicContact CG1-CD1 4.17Å
74	L	98.9	Very high	98.3	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	129.4	174.7	178.6	66.1	0	0	0	108.9	M30 I62 L110 Y112 T113	M30-L74 HydrophobicContact CB-CD1 3.83Å; M30-L74 HydrophobicContact CE-CB 4.33Å; M30-L74 CarbonylContact O-C 3.56Å; M30-L74 WeakPolarHBondContact O-CA 2.83Å; I62-L74 HydrophobicContact CD1-CD1 4.1Å; I62-L74 HydrophobicContact CD1-CD2 4.19Å; I62-L74 HydrophobicContact CG1-CD1 4.32Å; I62-L74 HydrophobicContact CG2-CD1 4.39Å; I62-L74 HydrophobicContact CG2-CD2 3.91Å; L74-L110 HydrophobicContact CD2-CB 4.02Å; L74-L110 VanDerWaalsContact CD2-O 3.27Å; L74-L110 WeakPolarHBondContact CD2-O 3.29Å; L74-Y112 HydrophobicContact CD1-CE1 4.06Å; L74-Y112 HydrophobicContact CD2-CD1 3.9Å; L74-Y112 HydrophobicContact CD2-CD2 3.65Å; L74-Y112 HydrophobicContact CD2-CE1 3.82Å; L74-Y112 HydrophobicContact CD2-CE2 3.57Å; L74-Y112 HydrophobicContact CD2-CG 3.82Å; L74-Y112 HydrophobicContact CG-CD1 3.64Å; L74-Y112 HydrophobicContact CG-CD2 4.33Å; L74-Y112 HydrophobicContact CG-CE1 3.62Å; L74-Y112 HydrophobicContact CG-CE2 4.31Å; L74-Y112 HydrophobicContact CG-CG 4Å; L74-T113 WeakPolarHBondContact O-CB 3.44Å; L74-T113 PolarHBondContact O-N 3.19Å
75	V	98.9	Very high	98.2	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.012	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	159.8	178.2	-58.9	0	0	0	0	110.7	I29 M30 E31 T32 Y112 V114 Y179 L226	I29-V75 HydrophobicContact CG2-CG2 4.25Å; M30-V75 PolarHBondContact O-N 2.74Å; E31-V75 VanDerWaalsContact CA-O 3.28Å; E31-V75 WeakPolarHBondContact CA-O 3.47Å; E31-V75 HydrophobicContact CB-CG2 3.76Å; E31-V75 HydrophobicContact CG-CG2 3.9Å; T32-V75 PolarHBondContact N-O 2.85Å; T32-V75 VanDerWaalsContact N-O 3.11Å; V75-Y112 WeakPolarHBondContact O-CE1 3.42Å; V75-V114 VanDerWaalsContact CA-O 3.29Å; V75-V114 WeakPolarHBondContact CA-O 3.42Å; V75-V114 HydrophobicContact CB-CG1 4.19Å; V75-V114 HydrophobicContact CG1-CG1 3.55Å; V75-Y179 HydrophobicContact CG1-CD1 4.13Å; V75-Y179 HydrophobicContact CG1-CE1 3.83Å; V75-L226 HydrophobicContact CB-CD1 4.45Å; V75-L226 HydrophobicContact CB-CD2 3.85Å; V75-L226 HydrophobicContact CG1-CD2 4.29Å; V75-L226 HydrophobicContact CG2-CD2 3.56Å
76	D	98.8	Very high	98.1	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	134.6	174.5	-173.9	76.4	0	0	0	110.6	T32 G78 L80 Y112 V114 G115 T116	T32-D76 CarbonylContact O-C 3.54Å; T32-D76 WeakPolarHBondContact O-CA 3.34Å; T32-D76 PolarHBondContact OG1-OD1 3.33Å; D76-G78 PolarHBondContact OD2-N 3.15Å; D76-G78 VanDerWaalsContact OD2-N 3.08Å; D76-L80 VanDerWaalsContact OD2-CD1 3.29Å; D76-L80 WeakPolarHBondContact OD2-CD1 3.24Å; D76-L80 WeakPolarHBondContact OD2-CG 3.48Å; D76-Y112 HydrophobicContact CB-CD1 3.85Å; D76-Y112 HydrophobicContact CB-CE1 3.68Å; D76-V114 PolarHBondContact N-O 2.89Å; D76-G115 CarbonylContact O-C 3.6Å; D76-G115 WeakPolarHBondContact O-CA 3.46Å; D76-T116 PolarHBondContact O-N 2.97Å
77	N	98.4	Very high	98.1	Very high	20 Å²	20	31.1 Å²	31.1	11%	0.107	17%	0.166	C	C	.	.			trans	-103.3	13.6	-175.5	-155.1	42.9	0	0	0	113.7	E31 T32 T116 L226 A227 H228	E31-N77 HydrophobicContact CG-CB 4.21Å; E31-N77 WeakPolarHBondContact OE1-CB 3.35Å; T32-N77 PolarHBondContact O-N 3.49Å; N77-T116 WeakPolarHBondContact OD1-CG2 3.13Å; N77-L226 WeakPolarHBondContact OD1-CA 3.2Å; N77-A227 PolarHBondContact ND2-O 3.41Å; N77-A227 PolarHBondContact OD1-N 3.19Å; N77-H228 WeakPolarHBondContact O-CB 3.35Å; N77-H228 PolarHBondContact O-ND1 3.3Å
78	G	98.6	Very high	98	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.156	C	C	.	.	S	Bend	trans	94.9	-170.7	173.3	0	0	0	0	0	115.2	D34 D76 T116	D34-G78 PolarHBondContact N-O 2.8Å; D76-G78 PolarHBondContact OD2-N 3.15Å; D76-G78 VanDerWaalsContact OD2-N 3.08Å; G78-T116 WeakPolarHBondContact CA-O 3.16Å
79	D	98.7	Very high	98	Very high	3 Å²	3	29.7 Å²	29.7	2%	0.016	15%	0.153	C	C	.	.			trans	57.7	54.7	-172	-75.1	4.1	0	0	0	113.1	L35 H36 G118 N119 H120 E121 H228	L35-D79 PolarHBondContact N-O 3.25Å; H36-D79 PolarHBondContact N-O 2.93Å; D79-G118 VanDerWaalsContact OD1-CA 3.23Å; D79-G118 WeakPolarHBondContact OD1-CA 3.38Å; D79-N119 PolarHBondContact OD1-N 3.21Å; D79-H120 HydrophobicContact CB-CB 4.37Å; D79-H120 VanDerWaalsContact OD1-CB 3.29Å; D79-H120 WeakPolarHBondContact OD1-CB 3.44Å; D79-H120 IonicContact OD1-CD2 3.93Å; D79-H120 IonicContact OD1-CG 3.95Å; D79-H120 PolarHBondContact OD1-N 3.49Å; D79-H120 IonicContact OD2-CD2 3.15Å; D79-H120 PolarHBondContact OD2-CD2 3.01Å; D79-H120 IonicContact OD2-CG 3.91Å; D79-E121 WeakPolarHBondContact CA-OE1 3.28Å; D79-E121 PolarHBondContact N-OE1 2.91Å; D79-E121 PolarHBondContact N-OE2 3.4Å; D79-H228 VanDerWaalsContact CG-NE2 3.3Å; D79-H228 IonicContact OD1-CE1 3.54Å; D79-H228 IonicContact OD1-NE2 3.49Å; D79-H228 IonicContact OD2-CE1 2.68Å; D79-H228 PolarHBondContact OD2-CE1 3.06Å; D79-H228 IonicContact OD2-NE2 3.82Å; D79-H228 PolarHBondContact OD2-NE2 2.86Å
80	L	98.7	Very high	97.9	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.143	C	C	.	.			trans	-97.2	-42.7	-176.5	-77.1	-175.8	0	0	0	113.4	L35 S37 D76 V103 Y104 L107 E121 Y140	L35-L80 HydrophobicContact CB-CD2 3.95Å; L35-L80 HydrophobicContact CD1-CD2 3.67Å; L35-L80 HydrophobicContact CG-CD2 4.1Å; S37-L80 WeakPolarHBondContact CA-O 3.29Å; S37-L80 PolarHBondContact N-O 2.9Å; S37-L80 PolarHBondContact OG-O 3Å; D76-L80 VanDerWaalsContact OD2-CD1 3.29Å; D76-L80 WeakPolarHBondContact OD2-CD1 3.24Å; D76-L80 WeakPolarHBondContact OD2-CG 3.48Å; L80-V103 HydrophobicContact CB-CG1 3.94Å; L80-V103 HydrophobicContact CD1-CG1 4.16Å; L80-V103 HydrophobicContact CD2-CG1 4Å; L80-V103 HydrophobicContact CG-CG1 4.28Å; L80-Y104 HydrophobicContact CD1-CE1 4.03Å; L80-L107 HydrophobicContact CD1-CD2 3.66Å; L80-L107 HydrophobicContact CD2-CD1 4.36Å; L80-L107 HydrophobicContact CD2-CD2 4.13Å; L80-E121 PolarHBondContact N-OE1 2.87Å; L80-Y140 VanDerWaalsContact CD1-OH 3.27Å; L80-Y140 WeakPolarHBondContact CD1-OH 3.35Å
81	I	98.3	Very high	97.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.122	C	C	.	.	S	Bend	trans	-101.9	7.6	-157.8	63.6	174.4	0	0	0	115.1	A87 Y104 E121 Y124 Y128 L129 A132	I81-A87 WeakPolarHBondContact O-CB 3.24Å; I81-Y104 HydrophobicContact CG2-CE2 4.24Å; I81-E121 HydrophobicContact CD1-CG 4.37Å; I81-E121 HydrophobicContact CG1-CG 4.4Å; I81-Y124 WeakPolarHBondContact O-CE2 3.31Å; I81-Y128 HydrophobicContact CD1-CD1 4.24Å; I81-Y128 HydrophobicContact CD1-CE1 4.16Å; I81-L129 HydrophobicContact CD1-CD1 4.16Å; I81-A132 HydrophobicContact CD1-CB 4.24Å
82	Q	97.9	Very high	97.8	Very high	42 Å²	42	26.2 Å²	26.2	20%	0.196	15%	0.154	C	C	.	.	S	Bend	trans	-136	160.8	-179.4	-177.2	-87.7	-4.2	0	0	110.7	H36 H120 N123 Y124	H36-Q82 CarbonylContact C-O 3.52Å; H36-Q82 WeakPolarHBondContact CA-O 3.43Å; H36-Q82 WeakPolarHBondContact CB-O 3.27Å; H36-Q82 PolarHBondContact ND1-O 3.48Å; H36-Q82 PolarHBondContact ND1-OE1 3.49Å; Q82-H120 HydrophobicContact CB-CB 3.98Å; Q82-H120 PolarHBondContact OE1-ND1 3Å; Q82-N123 HydrophobicContact CG-CB 4.45Å; Q82-N123 VanDerWaalsContact CG-OD1 3.31Å; Q82-N123 WeakPolarHBondContact CG-OD1 3.35Å; Q82-Y124 HydrophobicContact CB-CE2 3.83Å; Q82-Y124 HydrophobicContact CG-CE2 4.09Å; Q82-Y124 WeakPolarHBondContact CG-OH 3.44Å
83	G	95.6	Very high	97.8	Very high	27 Å²	27	31.1 Å²	31.1	28%	0.278	17%	0.172	S	C	.	.	S	Bend	trans	106.4	3.6	161	0	0	0	0	0	115.5
84	S	96.7	Very high	97.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.007	18%	0.183	C	C	.	.	S	Bend	trans	-136	162.7	171	60.6	0	0	0	0	111.3	H36 S37 L86 A87 D88	H36-S84 WeakPolarHBondContact O-CB 3.4Å; H36-S84 PolarHBondContact O-N 2.55Å; H36-S84 PolarHBondContact O-OG 3.12Å; S37-S84 VanDerWaalsContact CB-OG 3.26Å; S37-S84 WeakPolarHBondContact CB-OG 3.39Å; S84-L86 PolarHBondContact O-N 3.15Å; S84-L86 VanDerWaalsContact O-N 3.11Å; S84-A87 WeakPolarHBondContact O-CA 3.45Å; S84-A87 WeakPolarHBondContact O-CB 3.42Å; S84-A87 PolarHBondContact O-N 3.28Å; S84-D88 PolarHBondContact O-N 3.4Å
85	P	97.2	Very high	97.5	Very high	37 Å²	37	32.7 Å²	32.7	24%	0.24	19%	0.186	C	C	.	.	H	α-helix	trans	-57	-27.7	175.6	-29.9	39.6	0	0	0	113.8	Y44 Y45 Y89	Y44-P85 HydrophobicContact CG-CB 4.38Å; Y45-P85 HydrophobicContact CD1-CG 4.15Å; Y45-P85 HydrophobicContact CD2-CG 4.39Å; Y45-P85 HydrophobicContact CE1-CG 3.76Å; Y45-P85 HydrophobicContact CE2-CG 4.03Å; Y45-P85 HydrophobicContact CG-CG 4.45Å; P85-Y89 VanDerWaalsContact O-CB 3.3Å; P85-Y89 WeakPolarHBondContact O-CB 3.38Å; P85-Y89 PolarHBondContact O-N 3.31Å
86	L	96.5	Very high	97.4	Very high	34 Å²	34	39 Å²	39	18%	0.178	21%	0.214	C	C	.	.	H	α-helix	trans	-63.6	-46.1	171.5	177.3	61.8	0	0	0	111.3	S37 M39 Y44 S84 Y89 M90	S37-L86 WeakPolarHBondContact O-CD2 3.48Å; M39-L86 HydrophobicContact CG-CD2 4.39Å; Y44-L86 HydrophobicContact CE2-CB 4.3Å; S84-L86 PolarHBondContact O-N 3.15Å; S84-L86 VanDerWaalsContact O-N 3.11Å; L86-Y89 PolarHBondContact O-N 3.35Å; L86-M90 HydrophobicContact CD1-CG 4.23Å; L86-M90 WeakPolarHBondContact O-CB 3.26Å; L86-M90 VanDerWaalsContact O-CG 3.3Å; L86-M90 WeakPolarHBondContact O-CG 3.44Å; L86-M90 PolarHBondContact O-N 3.29Å
87	A	97.3	Very high	97.3	Very high	0 Å²	0	43 Å²	43	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-64.4	-42.7	176.1	0	0	0	0	0	112.1	I81 S84 Y89 M90 S91	I81-A87 WeakPolarHBondContact O-CB 3.24Å; S84-A87 WeakPolarHBondContact O-CA 3.45Å; S84-A87 WeakPolarHBondContact O-CB 3.42Å; S84-A87 PolarHBondContact O-N 3.28Å; A87-Y89 PolarHBondContact O-N 3.46Å; A87-M90 PolarHBondContact O-N 3.13Å; A87-S91 WeakPolarHBondContact O-CB 3.07Å; A87-S91 PolarHBondContact O-N 2.96Å; A87-S91 PolarHBondContact O-OG 3.13Å
88	D	97.7	Very high	97.2	Very high	77 Å²	77	45.6 Å²	45.6	41%	0.412	28%	0.278	S	S	.	.	H	α-helix	trans	-62.5	-43.5	177.9	-68.1	-20.9	0	0	0	111.4	S84 S91 A92	S84-D88 PolarHBondContact O-N 3.4Å; D88-S91 WeakPolarHBondContact CA-OG 3.23Å; D88-S91 PolarHBondContact O-OG 3.29Å; D88-A92 VanDerWaalsContact O-CB 3.24Å; D88-A92 WeakPolarHBondContact O-CB 3.41Å; D88-A92 PolarHBondContact O-N 3.01Å
89	Y	97.2	Very high	97.1	Very high	141 Å²	141	48.8 Å²	48.8	55%	0.553	30%	0.295	S	S	*	.	H	α-helix	trans	-61.1	-46.3	174	173	-97.4	0	0	0	111.7	P85 L86 A87 A92 K93	P85-Y89 VanDerWaalsContact O-CB 3.3Å; P85-Y89 WeakPolarHBondContact O-CB 3.38Å; P85-Y89 PolarHBondContact O-N 3.31Å; L86-Y89 PolarHBondContact O-N 3.35Å; A87-Y89 PolarHBondContact O-N 3.46Å; Y89-A92 PolarHBondContact O-N 2.93Å; Y89-K93 HydrophobicContact CE1-CD 4.01Å; Y89-K93 VanDerWaalsContact O-CB 3.24Å; Y89-K93 WeakPolarHBondContact O-CB 3.27Å; Y89-K93 PolarHBondContact O-N 2.85Å
90	M	97.3	Very high	97	Very high	18 Å²	18	52.1 Å²	52.1	9%	0.089	31%	0.312	C	S	.	.	H	α-helix	trans	-69.4	-36.5	-177.5	-75.5	-55.3	-48.6	0	0	113.1	L86 A87 G94 L95 P102 Y128	L86-M90 HydrophobicContact CD1-CG 4.23Å; L86-M90 WeakPolarHBondContact O-CB 3.26Å; L86-M90 VanDerWaalsContact O-CG 3.3Å; L86-M90 WeakPolarHBondContact O-CG 3.44Å; L86-M90 PolarHBondContact O-N 3.29Å; A87-M90 PolarHBondContact O-N 3.13Å; M90-G94 PolarHBondContact O-N 3.33Å; M90-L95 HydrophobicContact CE-CD1 4.4Å; M90-P102 HydrophobicContact CE-CG 4.13Å; M90-P102 HydrophobicContact CG-CG 3.86Å; M90-P102 HydrophobicContact SD-CG 3.71Å; M90-Y128 PolarHBondContact O-OH 2.96Å
91	S	97	Very high	97	Very high	27 Å²	27	52.1 Å²	52.1	19%	0.189	31%	0.312	C	S	.	.	H	α-helix	trans	-69.1	-44	174.6	59.1	0	0	0	0	111.4	A87 D88 K93 G94 Y124	A87-S91 WeakPolarHBondContact O-CB 3.07Å; A87-S91 PolarHBondContact O-N 2.96Å; A87-S91 PolarHBondContact O-OG 3.13Å; D88-S91 WeakPolarHBondContact CA-OG 3.23Å; D88-S91 PolarHBondContact O-OG 3.29Å; S91-K93 PolarHBondContact O-N 2.9Å; S91-G94 PolarHBondContact O-N 3.45Å; S91-G94 VanDerWaalsContact O-N 3.1Å; S91-Y124 VanDerWaalsContact CB-CE1 3.4Å; S91-Y124 WeakPolarHBondContact OG-CE1 3.48Å
92	A	97.6	Very high	97	Very high	90 Å²	90	53.9 Å²	53.9	74%	0.744	32%	0.323	S	S	*	.	H	α-helix	trans	-64.5	-38.5	176.7	0	0	0	0	0	113.1	D88 Y89 G94	D88-A92 VanDerWaalsContact O-CB 3.24Å; D88-A92 WeakPolarHBondContact O-CB 3.41Å; D88-A92 PolarHBondContact O-N 3.01Å; Y89-A92 PolarHBondContact O-N 2.93Å; A92-G94 PolarHBondContact O-N 3Å
93	K	97	Very high	97	Very high	129 Å²	129	51.9 Å²	51.9	56%	0.561	31%	0.314	S	S	*	.	H	α-helix	trans	-65	-29	173.4	-179.6	178.7	176.5	179.3	0	112.4	Y89 S91	Y89-K93 HydrophobicContact CE1-CD 4.01Å; Y89-K93 VanDerWaalsContact O-CB 3.24Å; Y89-K93 WeakPolarHBondContact O-CB 3.27Å; Y89-K93 PolarHBondContact O-N 2.85Å; S91-K93 PolarHBondContact O-N 2.9Å
94	G	96.2	Very high	97.2	Very high	25 Å²	25	50.6 Å²	50.6	26%	0.258	30%	0.301	S	S	.	.			trans	77.6	150.3	-172.5	0	0	0	0	0	113	M90 S91 A92	M90-G94 PolarHBondContact O-N 3.33Å; S91-G94 PolarHBondContact O-N 3.45Å; S91-G94 VanDerWaalsContact O-N 3.1Å; A92-G94 PolarHBondContact O-N 3Å
95	L	96.7	Very high	97.2	Very high	13 Å²	13	56.6 Å²	56.6	7%	0.068	33%	0.327	C	S	.	.			trans	-117.7	115.8	179.4	-169.5	73.5	0	0	0	109.7	M90 D99 H101 Y128 N131 A132	M90-L95 HydrophobicContact CE-CD1 4.4Å; L95-D99 HydrophobicContact CD1-CB 3.44Å; L95-D99 VanDerWaalsContact CD1-CB 3.44Å; L95-D99 HydrophobicContact CG-CB 4.08Å; L95-H101 HydrophobicContact CD2-CB 4.15Å; L95-Y128 HydrophobicContact CB-CD2 3.95Å; L95-Y128 HydrophobicContact CB-CE2 3.54Å; L95-N131 HydrophobicContact CD2-CB 4Å; L95-N131 HydrophobicContact CG-CB 4.22Å; L95-N131 PolarHBondContact O-ND2 2.99Å; L95-A132 VanDerWaalsContact CD2-CA 3.41Å; L95-A132 HydrophobicContact CD2-CB 3.81Å
96	K	96	Very high	97.3	Very high	136 Å²	136	56.1 Å²	56.1	59%	0.591	33%	0.326	S	S	*	.			trans	-87.4	158.4	-179.9	-72.5	174.3	-85.7	-68.6	0	110.7	G98 D99	K96-G98 PolarHBondContact O-N 3.24Å; K96-D99 WeakPolarHBondContact CB-OD2 3.43Å; K96-D99 PolarHBondContact N-OD2 3.3Å; K96-D99 VanDerWaalsContact O-CB 3.3Å; K96-D99 WeakPolarHBondContact O-CB 3.44Å; K96-D99 PolarHBondContact O-N 3.3Å
97	A	96.1	Very high	97.4	Very high	83 Å²	83	54.5 Å²	54.5	69%	0.686	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	128.9	172.3	0	0	0	0	0	110.3
98	G	96	Very high	97.5	Very high	75 Å²	75	56 Å²	56	77%	0.773	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	-14.2	-175.2	0	0	0	0	0	114.7	K96	K96-G98 PolarHBondContact O-N 3.24Å
99	D	97	Very high	97.5	Very high	67 Å²	67	57.7 Å²	57.7	36%	0.358	34%	0.339	S	S	.	.			trans	-70.3	145.5	167.5	-68.3	-26.5	0	0	0	109.9	L95 K96	L95-D99 HydrophobicContact CD1-CB 3.44Å; L95-D99 VanDerWaalsContact CD1-CB 3.44Å; L95-D99 HydrophobicContact CG-CB 4.08Å; K96-D99 WeakPolarHBondContact CB-OD2 3.43Å; K96-D99 PolarHBondContact N-OD2 3.3Å; K96-D99 VanDerWaalsContact O-CB 3.3Å; K96-D99 WeakPolarHBondContact O-CB 3.44Å; K96-D99 PolarHBondContact O-N 3.3Å
100	I	98.1	Very high	97.5	Very high	73 Å²	73	52.1 Å²	52.1	37%	0.374	32%	0.318	S	S	.	.			trans	-104.1	118.6	171.4	-53.2	176.3	0	0	0	108	K105	I100-K105 HydrophobicContact CB-CG 4.01Å; I100-K105 HydrophobicContact CG2-CG 3.53Å; I100-K105 VanDerWaalsContact O-CE 3.29Å; I100-K105 WeakPolarHBondContact O-CE 3.46Å
101	H	98.2	Very high	97.6	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	34%	0.34	C	S	.	.			trans	-56.9	138.8	174.8	-165.7	-94.3	0	0	0	110.2	L95 V103 Y104 K105 Y128	L95-H101 HydrophobicContact CD2-CB 4.15Å; H101-V103 WeakPolarHBondContact ND1-CB 3.13Å; H101-V103 WeakPolarHBondContact ND1-CG2 3.42Å; H101-V103 PolarHBondContact ND1-N 3.37Å; H101-V103 PolarHBondContact O-N 2.95Å; H101-V103 VanDerWaalsContact O-N 3.13Å; H101-Y104 HydrophobicContact CB-CD2 3.78Å; H101-Y104 HydrophobicContact CB-CE2 4.43Å; H101-Y104 PolarHBondContact O-N 3.21Å; H101-K105 PolarHBondContact O-N 3.07Å; H101-Y128 PolarHBondContact CD2-OH 3.28Å; H101-Y128 PolarHBondContact NE2-OH 3.35Å
102	P	97.8	Very high	97.6	Very high	36 Å²	36	55.3 Å²	55.3	23%	0.234	33%	0.333	C	S	.	.	H	α-helix	trans	-53.7	-35.5	-178.7	-29.3	36.1	0	0	0	114.3	M90 K105 A106	M90-P102 HydrophobicContact CE-CG 4.13Å; M90-P102 HydrophobicContact CG-CG 3.86Å; M90-P102 HydrophobicContact SD-CG 3.71Å; P102-K105 WeakPolarHBondContact O-CB 3.27Å; P102-K105 PolarHBondContact O-N 2.75Å; P102-A106 PolarHBondContact O-N 3.43Å; P102-A106 VanDerWaalsContact O-N 3.11Å
103	V	98.5	Very high	97.7	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.1	-48.9	174.5	177.1	0	0	0	0	111.2	S37 M39 L80 H101 K105 A106 L107	S37-V103 WeakPolarHBondContact OG-CG2 3.48Å; M39-V103 HydrophobicContact CE-CG1 4.2Å; M39-V103 HydrophobicContact CE-CG2 4.32Å; M39-V103 HydrophobicContact CG-CG2 4.07Å; M39-V103 HydrophobicContact SD-CB 4.12Å; M39-V103 HydrophobicContact SD-CG1 3.87Å; M39-V103 HydrophobicContact SD-CG2 4Å; L80-V103 HydrophobicContact CB-CG1 3.94Å; L80-V103 HydrophobicContact CD1-CG1 4.16Å; L80-V103 HydrophobicContact CD2-CG1 4Å; L80-V103 HydrophobicContact CG-CG1 4.28Å; H101-V103 WeakPolarHBondContact ND1-CB 3.13Å; H101-V103 WeakPolarHBondContact ND1-CG2 3.42Å; H101-V103 PolarHBondContact ND1-N 3.37Å; H101-V103 PolarHBondContact O-N 2.95Å; H101-V103 VanDerWaalsContact O-N 3.13Å; V103-K105 VanDerWaalsContact C-N 3.32Å; V103-K105 PolarHBondContact O-N 2.98Å; V103-A106 WeakPolarHBondContact O-CA 3.26Å; V103-A106 WeakPolarHBondContact O-CB 3.5Å; V103-A106 PolarHBondContact O-N 3.42Å; V103-L107 HydrophobicContact CG1-CD1 3.49Å; V103-L107 VanDerWaalsContact CG1-CD1 3.49Å; V103-L107 WeakPolarHBondContact O-CD1 3.36Å; V103-L107 PolarHBondContact O-N 3.01Å
104	Y	98.6	Very high	97.8	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-67.5	-31	176.2	-66.5	-60.5	0	0	0	112.9	L80 I81 H101 A106 N108 A132 L133 A136 F138 Y140	L80-Y104 HydrophobicContact CD1-CE1 4.03Å; I81-Y104 HydrophobicContact CG2-CE2 4.24Å; H101-Y104 HydrophobicContact CB-CD2 3.78Å; H101-Y104 HydrophobicContact CB-CE2 4.43Å; H101-Y104 PolarHBondContact O-N 3.21Å; Y104-A106 PolarHBondContact O-N 3.26Å; Y104-N108 WeakPolarHBondContact O-CB 3.33Å; Y104-N108 PolarHBondContact O-N 2.8Å; Y104-N108 PolarHBondContact O-ND2 2.78Å; Y104-N108 PolarHBondContact O-OD1 3.05Å; Y104-A132 WeakPolarHBondContact CD2-O 3.37Å; Y104-A132 HydrophobicContact CE2-CB 3.94Å; Y104-A132 WeakPolarHBondContact CE2-O 3.35Å; Y104-L133 VanDerWaalsContact OH-CD2 3.3Å; Y104-L133 WeakPolarHBondContact OH-CD2 3.39Å; Y104-A136 HydrophobicContact CD1-CB 3.64Å; Y104-A136 HydrophobicContact CE1-CB 3.88Å; Y104-A136 HydrophobicContact CG-CB 4.24Å; Y104-F138 HydrophobicContact CD1-CZ 4.34Å; Y104-F138 HydrophobicContact CE1-CZ 4.31Å; Y104-Y140 AromaticContact CE1-CE2 3.81Å; Y104-Y140 HydrophobicContact CE1-CE2 3.81Å; Y104-Y140 AromaticContact CE1-CZ 3.81Å; Y104-Y140 VanDerWaalsContact CE1-OH 3.28Å; Y104-Y140 WeakPolarHBondContact CE1-OH 3.27Å; Y104-Y140 PolarHBondContact OH-OH 3.19Å
105	K	98	Very high	97.9	Very high	128 Å²	128	44.1 Å²	44.1	56%	0.557	26%	0.261	S	S	*	.	H	α-helix	trans	-57.5	-38.6	170.4	-65.9	-175.9	179	175.8	0	111.5	I100 H101 P102 V103	I100-K105 HydrophobicContact CB-CG 4.01Å; I100-K105 HydrophobicContact CG2-CG 3.53Å; I100-K105 VanDerWaalsContact O-CE 3.29Å; I100-K105 WeakPolarHBondContact O-CE 3.46Å; H101-K105 PolarHBondContact O-N 3.07Å; P102-K105 WeakPolarHBondContact O-CB 3.27Å; P102-K105 PolarHBondContact O-N 2.75Å; V103-K105 VanDerWaalsContact C-N 3.32Å; V103-K105 PolarHBondContact O-N 2.98Å
106	A	98.2	Very high	98	Very high	27 Å²	27	43.5 Å²	43.5	22%	0.223	26%	0.258	C	S	.	.	H	α-helix	trans	-75.8	-52.4	176.7	0	0	0	0	0	112.4	M39 L55 P102 V103 Y104 N108 T109	M39-A106 HydrophobicContact CG-CB 4.43Å; M39-A106 HydrophobicContact SD-CB 3.95Å; L55-A106 HydrophobicContact CD2-CB 3.91Å; P102-A106 PolarHBondContact O-N 3.43Å; P102-A106 VanDerWaalsContact O-N 3.11Å; V103-A106 WeakPolarHBondContact O-CA 3.26Å; V103-A106 WeakPolarHBondContact O-CB 3.5Å; V103-A106 PolarHBondContact O-N 3.42Å; Y104-A106 PolarHBondContact O-N 3.26Å; A106-N108 PolarHBondContact O-N 2.86Å; A106-T109 PolarHBondContact O-N 2.71Å; A106-T109 PolarHBondContact O-OG1 3.39Å
107	L	98.7	Very high	98.1	Very high	0 Å²	0	37 Å²	37	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-60.2	-33.4	-179	-85	75	0	0	0	112.4	L35 M39 L55 L80 V103 T109 L110 Y112 F138	L35-L107 HydrophobicContact CD1-CD1 4.44Å; M39-L107 HydrophobicContact SD-CD1 4.17Å; L55-L107 HydrophobicContact CD2-CD1 3.51Å; L55-L107 HydrophobicContact CD2-CG 4.18Å; L80-L107 HydrophobicContact CD1-CD2 3.66Å; L80-L107 HydrophobicContact CD2-CD1 4.36Å; L80-L107 HydrophobicContact CD2-CD2 4.13Å; V103-L107 HydrophobicContact CG1-CD1 3.49Å; V103-L107 VanDerWaalsContact CG1-CD1 3.49Å; V103-L107 WeakPolarHBondContact O-CD1 3.36Å; V103-L107 PolarHBondContact O-N 3.01Å; L107-T109 PolarHBondContact O-N 3.07Å; L107-L110 PolarHBondContact O-N 2.94Å; L107-Y112 HydrophobicContact CB-CD2 3.97Å; L107-Y112 HydrophobicContact CB-CE2 3.9Å; L107-Y112 HydrophobicContact CD2-CD2 4.31Å; L107-Y112 HydrophobicContact CD2-CE1 4.37Å; L107-Y112 HydrophobicContact CD2-CE2 3.97Å; L107-Y112 HydrophobicContact CG-CD2 4.11Å; L107-Y112 HydrophobicContact CG-CE2 3.6Å; L107-Y112 WeakPolarHBondContact O-CD2 3.22Å; L107-F138 HydrophobicContact CB-CE1 3.96Å; L107-F138 HydrophobicContact CB-CZ 4.19Å; L107-F138 HydrophobicContact CD2-CE1 4.44Å; L107-F138 HydrophobicContact CD2-CZ 3.83Å
108	N	98.7	Very high	98.3	Very high	32 Å²	32	33.1 Å²	33.1	17%	0.171	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-7.1	176.8	-73.2	-19.2	0	0	0	114.1	Y104 A106 G135 K137	Y104-N108 WeakPolarHBondContact O-CB 3.33Å; Y104-N108 PolarHBondContact O-N 2.8Å; Y104-N108 PolarHBondContact O-ND2 2.78Å; Y104-N108 PolarHBondContact O-OD1 3.05Å; A106-N108 PolarHBondContact O-N 2.86Å; N108-G135 PolarHBondContact ND2-O 3.27Å; N108-K137 HydrophobicContact CB-CB 4.47Å; N108-K137 HydrophobicContact CB-CD 4.1Å; N108-K137 HydrophobicContact CB-CG 4.29Å; N108-K137 WeakPolarHBondContact OD1-CB 3.48Å; N108-K137 PolarHBondContact OD1-N 2.96Å
109	T	98.2	Very high	98.4	Very high	111 Å²	111	30.8 Å²	30.8	68%	0.681	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.2	-4.3	174.5	75.8	0	0	0	0	114	A106 L107	A106-T109 PolarHBondContact O-N 2.71Å; A106-T109 PolarHBondContact O-OG1 3.39Å; L107-T109 PolarHBondContact O-N 3.07Å
110	L	98.3	Very high	98.5	Very high	25 Å²	25	29.9 Å²	29.9	13%	0.131	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.9	6.9	-169.2	-62.2	176.9	0	0	0	115.2	L55 A59 I62 R66 L74 L107 Y112	L55-L110 HydrophobicContact CD1-CD1 3.67Å; L55-L110 HydrophobicContact CD2-CD1 4.07Å; L55-L110 HydrophobicContact CG-CD1 3.94Å; A59-L110 HydrophobicContact CB-CD1 4.11Å; A59-L110 HydrophobicContact CB-CD2 3.59Å; A59-L110 HydrophobicContact CB-CG 4.49Å; I62-L110 HydrophobicContact CD1-CD1 4.21Å; R66-L110 PolarHBondContact NH2-O 3.33Å; L74-L110 HydrophobicContact CD2-CB 4.02Å; L74-L110 VanDerWaalsContact CD2-O 3.27Å; L74-L110 WeakPolarHBondContact CD2-O 3.29Å; L107-L110 PolarHBondContact O-N 2.94Å; L110-Y112 HydrophobicContact CB-CD2 3.96Å; L110-Y112 HydrophobicContact CB-CE2 3.74Å; L110-Y112 HydrophobicContact CD1-CE2 4.03Å; L110-Y112 HydrophobicContact CG-CE2 4.47Å; L110-Y112 PolarHBondContact O-N 3.15Å
111	D	97.8	Very high	98.5	Very high	102 Å²	102	26.5 Å²	26.5	55%	0.545	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	55	52.5	178.5	-174.6	48.8	0	0	0	112.9	R66	R66-D111 IonicContact CZ-OD2 3.01Å; R66-D111 IonicContact NH1-OD2 2.72Å; R66-D111 PolarHBondContact NH1-OD2 2.86Å; R66-D111 PolarHBondContact NH2-O 2.81Å; R66-D111 VanDerWaalsContact NH2-O 3.14Å; R66-D111 IonicContact NH2-OD2 3.36Å; R66-D111 PolarHBondContact NH2-OD2 2.87Å
112	Y	98.8	Very high	98.5	Very high	9 Å²	9	26.5 Å²	26.5	4%	0.035	14%	0.143	C	C	.	.			trans	-64.9	136.4	167.3	-79.7	-94.9	0	0	0	110.5	T32 L74 V75 D76 L107 L110 F138	T32-Y112 VanDerWaalsContact CG2-OH 3.24Å; T32-Y112 WeakPolarHBondContact CG2-OH 3.29Å; T32-Y112 VanDerWaalsContact OG1-CE1 3.31Å; T32-Y112 WeakPolarHBondContact OG1-CE1 3.46Å; T32-Y112 PolarHBondContact OG1-OH 2.86Å; L74-Y112 HydrophobicContact CD1-CE1 4.06Å; L74-Y112 HydrophobicContact CD2-CD1 3.9Å; L74-Y112 HydrophobicContact CD2-CD2 3.65Å; L74-Y112 HydrophobicContact CD2-CE1 3.82Å; L74-Y112 HydrophobicContact CD2-CE2 3.57Å; L74-Y112 HydrophobicContact CD2-CG 3.82Å; L74-Y112 HydrophobicContact CG-CD1 3.64Å; L74-Y112 HydrophobicContact CG-CD2 4.33Å; L74-Y112 HydrophobicContact CG-CE1 3.62Å; L74-Y112 HydrophobicContact CG-CE2 4.31Å; L74-Y112 HydrophobicContact CG-CG 4Å; V75-Y112 WeakPolarHBondContact O-CE1 3.42Å; D76-Y112 HydrophobicContact CB-CD1 3.85Å; D76-Y112 HydrophobicContact CB-CE1 3.68Å; L107-Y112 HydrophobicContact CB-CD2 3.97Å; L107-Y112 HydrophobicContact CB-CE2 3.9Å; L107-Y112 HydrophobicContact CD2-CD2 4.31Å; L107-Y112 HydrophobicContact CD2-CE1 4.37Å; L107-Y112 HydrophobicContact CD2-CE2 3.97Å; L107-Y112 HydrophobicContact CG-CD2 4.11Å; L107-Y112 HydrophobicContact CG-CE2 3.6Å; L107-Y112 WeakPolarHBondContact O-CD2 3.22Å; L110-Y112 HydrophobicContact CB-CD2 3.96Å; L110-Y112 HydrophobicContact CB-CE2 3.74Å; L110-Y112 HydrophobicContact CD1-CE2 4.03Å; L110-Y112 HydrophobicContact CG-CE2 4.47Å; L110-Y112 PolarHBondContact O-N 3.15Å; Y112-F138 HydrophobicContact CD2-CE1 4.47Å; Y112-F138 HydrophobicContact CG-CE1 4.31Å; Y112-F138 HydrophobicContact CG-CZ 4.27Å; Y112-F138 VanDerWaalsContact O-CB 3.23Å; Y112-F138 WeakPolarHBondContact O-CB 3.4Å
113	T	98.7	Very high	98.5	Very high	10 Å²	10	26.6 Å²	26.6	6%	0.061	14%	0.142	C	C	.	.			trans	-85.4	-41.8	179.1	-69.3	0	0	0	0	112.2	L74 P139 K161 Y179	L74-T113 WeakPolarHBondContact O-CB 3.44Å; L74-T113 PolarHBondContact O-N 3.19Å; T113-P139 WeakPolarHBondContact O-CD 3.23Å; T113-K161 HydrophobicContact CG2-CD 3.9Å; T113-Y179 HydrophobicContact CG2-CE1 4.37Å; T113-Y179 HydrophobicContact CG2-CE2 3.91Å
114	V	98.8	Very high	98.5	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	147.4	-179.1	59.6	0	0	0	0	109.4	V75 D76 P139 V141 Y179 L226	V75-V114 VanDerWaalsContact CA-O 3.29Å; V75-V114 WeakPolarHBondContact CA-O 3.42Å; V75-V114 HydrophobicContact CB-CG1 4.19Å; V75-V114 HydrophobicContact CG1-CG1 3.55Å; D76-V114 PolarHBondContact N-O 2.89Å; V114-P139 WeakPolarHBondContact CA-O 3.34Å; V114-P139 WeakPolarHBondContact CG2-O 3.4Å; V114-V141 HydrophobicContact CG2-CB 4.44Å; V114-V141 HydrophobicContact CG2-CG1 3.99Å; V114-V141 HydrophobicContact CG2-CG2 3.73Å; V114-Y179 HydrophobicContact CB-CG 4.39Å; V114-Y179 HydrophobicContact CG1-CD1 3.35Å; V114-Y179 HydrophobicContact CG1-CD2 4.16Å; V114-Y179 HydrophobicContact CG1-CE1 3.87Å; V114-Y179 HydrophobicContact CG1-CG 3.51Å; V114-L226 HydrophobicContact CG1-CD1 3.78Å; V114-L226 HydrophobicContact CG2-CD1 4.26Å
115	G	98.8	Very high	98.4	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	160.1	168	0	0	0	0	0	112.1	D76 P139 Y140 V141	D76-G115 CarbonylContact O-C 3.6Å; D76-G115 WeakPolarHBondContact O-CA 3.46Å; G115-P139 PolarHBondContact N-O 3.22Å; G115-Y140 CarbonylContact O-C 3.19Å; G115-Y140 VanDerWaalsContact O-CA 3.27Å; G115-Y140 WeakPolarHBondContact O-CA 3.15Å; G115-V141 PolarHBondContact O-N 2.89Å
116	T	98.8	Very high	98.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	14%	0.135	C	C	.	.			trans	-126.4	-179.2	162	-162.4	0	0	0	0	111.2	D76 N77 G78 Y140 V141 G181 L226	D76-T116 PolarHBondContact O-N 2.97Å; N77-T116 WeakPolarHBondContact OD1-CG2 3.13Å; G78-T116 WeakPolarHBondContact CA-O 3.16Å; T116-Y140 VanDerWaalsContact O-CE1 3.22Å; T116-Y140 WeakPolarHBondContact O-CE1 3.39Å; T116-V141 WeakPolarHBondContact CA-O 3.44Å; T116-V141 WeakPolarHBondContact CB-O 3.5Å; T116-V141 PolarHBondContact OG1-O 3.01Å; T116-G181 WeakPolarHBondContact OG1-CA 3.39Å; T116-L226 HydrophobicContact CG2-CB 3.44Å; T116-L226 VanDerWaalsContact CG2-CB 3.44Å; T116-L226 HydrophobicContact CG2-CD1 4.38Å
117	L	98.8	Very high	98.4	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.157	C	C	.	.			trans	-104.2	132	-175.1	-49.2	176.6	0	0	0	109.1	E121 F122 L129 L133 Y140 N142 F155 V183	L117-E121 HydrophobicContact CB-CB 4.41Å; L117-E121 HydrophobicContact CB-CG 4.48Å; L117-E121 HydrophobicContact CD2-CB 4.41Å; L117-E121 HydrophobicContact CD2-CG 4.02Å; L117-F122 HydrophobicContact CB-CE2 4.19Å; L117-F122 HydrophobicContact CB-CZ 4.34Å; L117-F122 HydrophobicContact CD1-CE2 4.41Å; L117-F122 HydrophobicContact CD1-CZ 3.75Å; L117-L129 HydrophobicContact CD1-CD2 4.5Å; L117-L129 HydrophobicContact CD2-CD1 4.39Å; L117-L133 HydrophobicContact CD2-CD1 3.99Å; L117-L133 HydrophobicContact CD2-CD2 4.02Å; L117-Y140 HydrophobicContact CD2-CD1 3.68Å; L117-Y140 HydrophobicContact CD2-CE1 4.08Å; L117-N142 HydrophobicContact CD1-CB 3.94Å; L117-N142 HydrophobicContact CG-CB 4.25Å; L117-F155 HydrophobicContact CD1-CD1 4.26Å; L117-F155 HydrophobicContact CD1-CD2 3.75Å; L117-F155 HydrophobicContact CD1-CE1 3.96Å; L117-F155 HydrophobicContact CD1-CE2 3.41Å; L117-F155 VanDerWaalsContact CD1-CE2 3.41Å; L117-F155 HydrophobicContact CD1-CG 4.17Å; L117-F155 HydrophobicContact CD1-CZ 3.53Å; L117-V183 WeakPolarHBondContact O-CB 3.06Å
118	G	98.6	Very high	98.4	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.161	C	C	.	.			trans	-91.8	-179.3	161.2	0	0	0	0	0	111.6	D79 H120 E121 F122 V183 H228	D79-G118 VanDerWaalsContact OD1-CA 3.23Å; D79-G118 WeakPolarHBondContact OD1-CA 3.38Å; G118-H120 VanDerWaalsContact C-N 3.28Å; G118-H120 PolarHBondContact O-N 3.44Å; G118-E121 VanDerWaalsContact CA-OE2 3.26Å; G118-E121 WeakPolarHBondContact CA-OE2 3.47Å; G118-E121 PolarHBondContact N-OE2 3.05Å; G118-F122 WeakPolarHBondContact O-CE2 3.29Å; G118-V183 VanDerWaalsContact C-CG2 3.48Å; G118-V183 WeakPolarHBondContact O-CG2 2.96Å; G118-H228 WeakPolarHBondContact CA-CD2 3.5Å
119	N	98.5	Very high	98.4	Very high	26 Å²	26	29 Å²	29	14%	0.139	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-68.1	-31.8	-177.5	46.6	-93.2	0	0	0	112.4	D79 E121 F122 I187 W190 H228	D79-N119 PolarHBondContact OD1-N 3.21Å; N119-E121 VanDerWaalsContact C-N 3.26Å; N119-E121 PolarHBondContact O-N 3.41Å; N119-F122 PolarHBondContact O-N 2.92Å; N119-I187 HydrophobicContact CB-CG2 3.47Å; N119-I187 VanDerWaalsContact CB-CG2 3.47Å; N119-W190 HydrophobicContact CB-CE3 3.87Å; N119-W190 HydrophobicContact CB-CZ3 3.73Å; N119-H228 PolarHBondContact OD1-CD2 3Å; N119-H228 PolarHBondContact OD1-NE2 3.03Å
120	H	98.6	Very high	98.4	Very high	49 Å²	49	30.5 Å²	30.5	23%	0.227	15%	0.15	C	C	.	.	G	3₁₀ helix	trans	-76.3	-11.6	-175.3	-76.8	-64.1	0	0	0	114	H36 D79 Q82 G118 F122 N123	H36-H120 AromaticContact CE1-CD2 3.46Å; H36-H120 PolarHBondContact CE1-CD2 3.03Å; H36-H120 VanDerWaalsContact CE1-CD2 3.46Å; H36-H120 AromaticContact CE1-NE2 3.98Å; D79-H120 HydrophobicContact CB-CB 4.37Å; D79-H120 VanDerWaalsContact OD1-CB 3.29Å; D79-H120 WeakPolarHBondContact OD1-CB 3.44Å; D79-H120 IonicContact OD1-CD2 3.93Å; D79-H120 IonicContact OD1-CG 3.95Å; D79-H120 PolarHBondContact OD1-N 3.49Å; D79-H120 IonicContact OD2-CD2 3.15Å; D79-H120 PolarHBondContact OD2-CD2 3.01Å; D79-H120 IonicContact OD2-CG 3.91Å; Q82-H120 HydrophobicContact CB-CB 3.98Å; Q82-H120 PolarHBondContact OE1-ND1 3Å; G118-H120 VanDerWaalsContact C-N 3.28Å; G118-H120 PolarHBondContact O-N 3.44Å; H120-F122 PolarHBondContact O-N 2.86Å; H120-N123 PolarHBondContact ND1-OD1 2.96Å; H120-N123 PolarHBondContact O-N 2.88Å; H120-N123 PolarHBondContact O-OD1 3.19Å
121	E	98.7	Very high	98.4	Very high	1 Å²	1	30.9 Å²	30.9	1%	0.005	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-60.7	-23.1	170.6	-91	63.7	-116.1	0	0	113.5	D79 L80 I81 L117 G118 N119 L129	D79-E121 WeakPolarHBondContact CA-OE1 3.28Å; D79-E121 PolarHBondContact N-OE1 2.91Å; D79-E121 PolarHBondContact N-OE2 3.4Å; L80-E121 PolarHBondContact N-OE1 2.87Å; I81-E121 HydrophobicContact CD1-CG 4.37Å; I81-E121 HydrophobicContact CG1-CG 4.4Å; L117-E121 HydrophobicContact CB-CB 4.41Å; L117-E121 HydrophobicContact CB-CG 4.48Å; L117-E121 HydrophobicContact CD2-CB 4.41Å; L117-E121 HydrophobicContact CD2-CG 4.02Å; G118-E121 VanDerWaalsContact CA-OE2 3.26Å; G118-E121 WeakPolarHBondContact CA-OE2 3.47Å; G118-E121 PolarHBondContact N-OE2 3.05Å; N119-E121 VanDerWaalsContact C-N 3.26Å; N119-E121 PolarHBondContact O-N 3.41Å; E121-L129 HydrophobicContact CB-CD1 3.68Å; E121-L129 HydrophobicContact CB-CD2 4.25Å; E121-L129 HydrophobicContact CG-CD1 3.8Å
122	F	98.6	Very high	98.4	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.127	C	C	.	.	G	3₁₀ helix	trans	-94	-7.7	-173.6	-61.4	-82.7	0	0	0	114.3	L117 G118 N119 H120 Y124 G125 L126 L129 V145 F155 V183 I187 D191 N194 L195	L117-F122 HydrophobicContact CB-CE2 4.19Å; L117-F122 HydrophobicContact CB-CZ 4.34Å; L117-F122 HydrophobicContact CD1-CE2 4.41Å; L117-F122 HydrophobicContact CD1-CZ 3.75Å; G118-F122 WeakPolarHBondContact O-CE2 3.29Å; N119-F122 PolarHBondContact O-N 2.92Å; H120-F122 PolarHBondContact O-N 2.86Å; F122-Y124 VanDerWaalsContact C-N 3.26Å; F122-Y124 PolarHBondContact O-N 3.46Å; F122-G125 PolarHBondContact O-N 2.79Å; F122-G125 VanDerWaalsContact O-N 3.14Å; F122-L126 HydrophobicContact CD1-CD2 3.92Å; F122-L126 HydrophobicContact CE1-CD2 4.16Å; F122-L129 HydrophobicContact CD1-CD2 3.84Å; F122-L129 HydrophobicContact CE1-CD2 3.69Å; F122-L129 HydrophobicContact CZ-CD2 4.21Å; F122-V145 HydrophobicContact CZ-CG2 3.94Å; F122-F155 HydrophobicContact CE1-CE2 4.35Å; F122-F155 HydrophobicContact CE1-CZ 4.5Å; F122-F155 HydrophobicContact CZ-CE2 4.43Å; F122-V183 HydrophobicContact CE2-CG1 4.44Å; F122-V183 HydrophobicContact CE2-CG2 4.1Å; F122-I187 HydrophobicContact CD1-CD1 4.42Å; F122-I187 HydrophobicContact CD2-CD1 3.75Å; F122-I187 HydrophobicContact CD2-CG2 4.35Å; F122-I187 HydrophobicContact CE1-CD1 4.3Å; F122-I187 HydrophobicContact CE2-CD1 3.65Å; F122-I187 HydrophobicContact CG-CD1 4.15Å; F122-I187 HydrophobicContact CZ-CD1 3.93Å; F122-D191 HydrophobicContact CB-CB 4.27Å; F122-N194 PolarHBondContact O-ND2 2.94Å; F122-L195 HydrophobicContact CB-CD1 4.16Å; F122-L195 HydrophobicContact CB-CD2 4.18Å; F122-L195 HydrophobicContact CB-CG 4.49Å; F122-L195 HydrophobicContact CD1-CD1 4.26Å; F122-L195 HydrophobicContact CD1-CD2 3.71Å; F122-L195 HydrophobicContact CG-CD1 4.23Å; F122-L195 HydrophobicContact CG-CD2 4.28Å
123	N	98.3	Very high	98.4	Very high	38 Å²	38	26.8 Å²	26.8	20%	0.203	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-25.8	-169.9	-64.9	161.1	0	0	0	115.3	Q82 H120 D191 N194	Q82-N123 HydrophobicContact CG-CB 4.45Å; Q82-N123 VanDerWaalsContact CG-OD1 3.31Å; Q82-N123 WeakPolarHBondContact CG-OD1 3.35Å; H120-N123 PolarHBondContact ND1-OD1 2.96Å; H120-N123 PolarHBondContact O-N 2.88Å; H120-N123 PolarHBondContact O-OD1 3.19Å; N123-D191 VanDerWaalsContact CA-OD1 3.29Å; N123-D191 WeakPolarHBondContact CA-OD1 3.43Å; N123-D191 PolarHBondContact ND2-OD1 2.86Å; N123-D191 PolarHBondContact ND2-OD2 2.91Å; N123-N194 VanDerWaalsContact C-ND2 3.28Å; N123-N194 PolarHBondContact O-ND2 3.46Å
124	Y	97.7	Very high	98.4	Very high	60 Å²	60	30.1 Å²	30.1	24%	0.235	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.8	12.2	-178.3	-50.6	-61.8	0	0	0	112.9	I81 Q82 S91 F122 Y128	I81-Y124 WeakPolarHBondContact O-CE2 3.31Å; Q82-Y124 HydrophobicContact CB-CE2 3.83Å; Q82-Y124 HydrophobicContact CG-CE2 4.09Å; Q82-Y124 WeakPolarHBondContact CG-OH 3.44Å; S91-Y124 VanDerWaalsContact CB-CE1 3.4Å; S91-Y124 WeakPolarHBondContact OG-CE1 3.48Å; F122-Y124 VanDerWaalsContact C-N 3.26Å; F122-Y124 PolarHBondContact O-N 3.46Å; Y124-Y128 HydrophobicContact CD2-CD1 4.04Å; Y124-Y128 AromaticContact CD2-CE1 3.89Å; Y124-Y128 HydrophobicContact CD2-CE1 3.89Å; Y124-Y128 HydrophobicContact CG-CD1 4.27Å; Y124-Y128 HydrophobicContact CG-CE1 4.41Å; Y124-Y128 VanDerWaalsContact O-CB 3.28Å; Y124-Y128 WeakPolarHBondContact O-CB 3.12Å
125	G	97.6	Very high	98.3	Very high	8 Å²	8	30.5 Å²	30.5	8%	0.082	16%	0.163	C	C	.	.			trans	87.1	159.5	177.7	0	0	0	0	0	114.7	F122 D127 Y128 L129	F122-G125 PolarHBondContact O-N 2.79Å; F122-G125 VanDerWaalsContact O-N 3.14Å; G125-D127 VanDerWaalsContact C-N 3.32Å; G125-D127 PolarHBondContact O-N 3.42Å; G125-Y128 PolarHBondContact O-N 3.11Å; G125-L129 PolarHBondContact O-N 3.06Å
126	L	98	Very high	98.3	Very high	20 Å²	20	31.4 Å²	31.4	11%	0.105	17%	0.171	C	C	.	.	H	α-helix	trans	-63.5	-32.2	-172.1	-62.1	175.1	0	0	0	113.8	F122 K130 M154 L195 K198 V199	F122-L126 HydrophobicContact CD1-CD2 3.92Å; F122-L126 HydrophobicContact CE1-CD2 4.16Å; L126-K130 VanDerWaalsContact O-CB 3.27Å; L126-K130 WeakPolarHBondContact O-CB 3.41Å; L126-K130 PolarHBondContact O-N 2.89Å; L126-M154 HydrophobicContact CB-CE 4.23Å; L126-M154 HydrophobicContact CD1-CE 3.87Å; L126-M154 HydrophobicContact CD1-SD 4.29Å; L126-M154 HydrophobicContact CD2-CE 3.91Å; L126-M154 HydrophobicContact CD2-SD 4.07Å; L126-M154 HydrophobicContact CG-CE 4.21Å; L126-L195 HydrophobicContact CD1-CD2 4.46Å; L126-L195 HydrophobicContact CD2-CD2 3.65Å; L126-L195 HydrophobicContact CG-CD2 4.06Å; L126-K198 HydrophobicContact CD1-CB 3.73Å; L126-K198 HydrophobicContact CD1-CD 3.82Å; L126-K198 HydrophobicContact CD1-CG 4.43Å; L126-V199 HydrophobicContact CD1-CG1 4Å
127	D	97.3	Very high	98.3	Very high	127 Å²	127	39.7 Å²	39.7	68%	0.679	21%	0.207	S	C	*	.	H	α-helix	trans	-71	-40.1	177.5	-70.3	-28.1	0	0	0	111.8	G125 K130 N131	G125-D127 VanDerWaalsContact C-N 3.32Å; G125-D127 PolarHBondContact O-N 3.42Å; D127-K130 PolarHBondContact O-N 2.91Å; D127-N131 VanDerWaalsContact O-CG 3.32Å; D127-N131 PolarHBondContact O-N 3.4Å; D127-N131 PolarHBondContact O-ND2 3.48Å
128	Y	98.1	Very high	98.3	Very high	21 Å²	21	40.5 Å²	40.5	8%	0.082	21%	0.21	C	C	.	.	H	α-helix	trans	-63.9	-48.1	174.2	-172.7	-86.8	0	0	0	110.5	I81 M90 L95 H101 Y124 G125 K130 N131 A132	I81-Y128 HydrophobicContact CD1-CD1 4.24Å; I81-Y128 HydrophobicContact CD1-CE1 4.16Å; M90-Y128 PolarHBondContact O-OH 2.96Å; L95-Y128 HydrophobicContact CB-CD2 3.95Å; L95-Y128 HydrophobicContact CB-CE2 3.54Å; H101-Y128 PolarHBondContact CD2-OH 3.28Å; H101-Y128 PolarHBondContact NE2-OH 3.35Å; Y124-Y128 HydrophobicContact CD2-CD1 4.04Å; Y124-Y128 AromaticContact CD2-CE1 3.89Å; Y124-Y128 HydrophobicContact CD2-CE1 3.89Å; Y124-Y128 HydrophobicContact CG-CD1 4.27Å; Y124-Y128 HydrophobicContact CG-CE1 4.41Å; Y124-Y128 VanDerWaalsContact O-CB 3.28Å; Y124-Y128 WeakPolarHBondContact O-CB 3.12Å; G125-Y128 PolarHBondContact O-N 3.11Å; Y128-K130 VanDerWaalsContact C-N 3.34Å; Y128-K130 PolarHBondContact O-N 3.48Å; Y128-N131 PolarHBondContact O-N 3.32Å; Y128-A132 WeakPolarHBondContact O-CB 3.08Å; Y128-A132 PolarHBondContact O-N 3.32Å
129	L	98.5	Very high	98.3	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.23	C	C	.	.	H	α-helix	trans	-56	-48.1	176.2	177.4	55.4	0	0	0	111.4	I81 L117 E121 F122 G125 N131 A132 L133 F155	I81-L129 HydrophobicContact CD1-CD1 4.16Å; L117-L129 HydrophobicContact CD1-CD2 4.5Å; L117-L129 HydrophobicContact CD2-CD1 4.39Å; E121-L129 HydrophobicContact CB-CD1 3.68Å; E121-L129 HydrophobicContact CB-CD2 4.25Å; E121-L129 HydrophobicContact CG-CD1 3.8Å; F122-L129 HydrophobicContact CD1-CD2 3.84Å; F122-L129 HydrophobicContact CE1-CD2 3.69Å; F122-L129 HydrophobicContact CZ-CD2 4.21Å; G125-L129 PolarHBondContact O-N 3.06Å; L129-N131 VanDerWaalsContact C-N 3.34Å; L129-N131 PolarHBondContact O-N 2.88Å; L129-A132 PolarHBondContact O-N 2.9Å; L129-A132 VanDerWaalsContact O-N 3.17Å; L129-L133 HydrophobicContact CD1-CD1 3.75Å; L129-L133 HydrophobicContact CD1-CD2 4.27Å; L129-L133 HydrophobicContact CD1-CG 3.78Å; L129-L133 HydrophobicContact CG-CD1 3.9Å; L129-L133 HydrophobicContact CG-CG 4.34Å; L129-L133 VanDerWaalsContact O-CG 3.31Å; L129-L133 WeakPolarHBondContact O-CG 3.37Å; L129-L133 PolarHBondContact O-N 2.58Å; L129-F155 HydrophobicContact CD2-CZ 3.97Å
130	K	98.1	Very high	98.3	Very high	143 Å²	143	43.5 Å²	43.5	62%	0.622	23%	0.228	S	C	*	.	H	α-helix	trans	-56.8	-46.5	176.7	178.7	-176.9	175.2	-176	0	112	L126 D127 Y128 A132 A134	L126-K130 VanDerWaalsContact O-CB 3.27Å; L126-K130 WeakPolarHBondContact O-CB 3.41Å; L126-K130 PolarHBondContact O-N 2.89Å; D127-K130 PolarHBondContact O-N 2.91Å; Y128-K130 VanDerWaalsContact C-N 3.34Å; Y128-K130 PolarHBondContact O-N 3.48Å; K130-A132 VanDerWaalsContact C-N 3.33Å; K130-A134 WeakPolarHBondContact O-CB 3.05Å; K130-A134 PolarHBondContact O-N 2.91Å; K130-A134 VanDerWaalsContact O-N 3.07Å
131	N	98.4	Very high	98.3	Very high	34 Å²	34	41.2 Å²	41.2	18%	0.182	22%	0.217	C	C	.	.	H	α-helix	trans	-66.9	-36.5	178.7	-69.9	-17.8	0	0	0	111.8	L95 D127 Y128 L129	L95-N131 HydrophobicContact CD2-CB 4Å; L95-N131 HydrophobicContact CG-CB 4.22Å; L95-N131 PolarHBondContact O-ND2 2.99Å; D127-N131 VanDerWaalsContact O-CG 3.32Å; D127-N131 PolarHBondContact O-N 3.4Å; D127-N131 PolarHBondContact O-ND2 3.48Å; Y128-N131 PolarHBondContact O-N 3.32Å; L129-N131 VanDerWaalsContact C-N 3.34Å; L129-N131 PolarHBondContact O-N 2.88Å
132	A	98.5	Very high	98.3	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-63.6	-54.5	177	0	0	0	0	0	110.3	I81 L95 Y104 Y128 L129 K130 A134 G135	I81-A132 HydrophobicContact CD1-CB 4.24Å; L95-A132 VanDerWaalsContact CD2-CA 3.41Å; L95-A132 HydrophobicContact CD2-CB 3.81Å; Y104-A132 WeakPolarHBondContact CD2-O 3.37Å; Y104-A132 HydrophobicContact CE2-CB 3.94Å; Y104-A132 WeakPolarHBondContact CE2-O 3.35Å; Y128-A132 WeakPolarHBondContact O-CB 3.08Å; Y128-A132 PolarHBondContact O-N 3.32Å; L129-A132 PolarHBondContact O-N 2.9Å; L129-A132 VanDerWaalsContact O-N 3.17Å; K130-A132 VanDerWaalsContact C-N 3.33Å; A132-A134 PolarHBondContact O-N 3.18Å; A132-G135 PolarHBondContact O-N 3.13Å
133	L	98.6	Very high	98.3	Very high	25 Å²	25	41.2 Å²	41.2	13%	0.131	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-32.3	180	-64.5	174.8	0	0	0	113	Y104 L117 L129 G135 A136 Y140 F155	Y104-L133 VanDerWaalsContact OH-CD2 3.3Å; Y104-L133 WeakPolarHBondContact OH-CD2 3.39Å; L117-L133 HydrophobicContact CD2-CD1 3.99Å; L117-L133 HydrophobicContact CD2-CD2 4.02Å; L129-L133 HydrophobicContact CD1-CD1 3.75Å; L129-L133 HydrophobicContact CD1-CD2 4.27Å; L129-L133 HydrophobicContact CD1-CG 3.78Å; L129-L133 HydrophobicContact CG-CD1 3.9Å; L129-L133 HydrophobicContact CG-CG 4.34Å; L129-L133 VanDerWaalsContact O-CG 3.31Å; L129-L133 WeakPolarHBondContact O-CG 3.37Å; L129-L133 PolarHBondContact O-N 2.58Å; L133-G135 PolarHBondContact O-N 3.24Å; L133-G135 VanDerWaalsContact O-N 3.11Å; L133-A136 WeakPolarHBondContact O-CB 3.14Å; L133-A136 PolarHBondContact O-N 2.98Å; L133-Y140 HydrophobicContact CD2-CD1 3.55Å; L133-Y140 HydrophobicContact CD2-CD2 3.75Å; L133-Y140 HydrophobicContact CD2-CE1 3.62Å; L133-Y140 HydrophobicContact CD2-CE2 3.83Å; L133-Y140 HydrophobicContact CD2-CG 3.63Å; L133-F155 HydrophobicContact CD1-CD1 4.5Å; L133-F155 HydrophobicContact CD1-CE1 3.89Å
134	A	98.2	Very high	98.3	Very high	80 Å²	80	39.4 Å²	39.4	66%	0.661	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-18.5	176.4	0	0	0	0	0	113.6	K130 A132	K130-A134 WeakPolarHBondContact O-CB 3.05Å; K130-A134 PolarHBondContact O-N 2.91Å; K130-A134 VanDerWaalsContact O-N 3.07Å; A132-A134 PolarHBondContact O-N 3.18Å
135	G	98.2	Very high	98.4	Very high	7 Å²	7	36.5 Å²	36.5	7%	0.072	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-11	174.4	0	0	0	0	0	114.9	N108 A132 L133	N108-G135 PolarHBondContact ND2-O 3.27Å; A132-G135 PolarHBondContact O-N 3.13Å; L133-G135 PolarHBondContact O-N 3.24Å; L133-G135 VanDerWaalsContact O-N 3.11Å
136	A	98.6	Very high	98.5	Very high	19 Å²	19	36.9 Å²	36.9	16%	0.157	20%	0.197	C	C	.	.			trans	-75	136.9	178.3	0	0	0	0	0	111.2	Y104 L133 F138 Y140	Y104-A136 HydrophobicContact CD1-CB 3.64Å; Y104-A136 HydrophobicContact CE1-CB 3.88Å; Y104-A136 HydrophobicContact CG-CB 4.24Å; L133-A136 WeakPolarHBondContact O-CB 3.14Å; L133-A136 PolarHBondContact O-N 2.98Å; A136-F138 VanDerWaalsContact C-N 3.29Å; A136-F138 HydrophobicContact CB-CD1 4.4Å; A136-F138 HydrophobicContact CB-CE1 4.19Å; A136-F138 HydrophobicContact CB-CZ 4.29Å; A136-Y140 HydrophobicContact CB-CD2 4.22Å; A136-Y140 HydrophobicContact CB-CE2 3.84Å
137	K	98.5	Very high	98.5	Very high	175 Å²	175	37.8 Å²	37.8	76%	0.761	20%	0.202	S	C	*	.	S	Bend	trans	-89.4	7.2	174	-72.4	-174.9	-178.9	-179.7	0	113.4	N108	N108-K137 HydrophobicContact CB-CB 4.47Å; N108-K137 HydrophobicContact CB-CD 4.1Å; N108-K137 HydrophobicContact CB-CG 4.29Å; N108-K137 WeakPolarHBondContact OD1-CB 3.48Å; N108-K137 PolarHBondContact OD1-N 2.96Å
138	F	98.6	Very high	98.5	Very high	16 Å²	16	32.7 Å²	32.7	7%	0.07	18%	0.177	C	C	.	.	S	Bend	trans	-131.5	151.9	179.1	55.9	-87.5	0	0	0	109	Y104 L107 Y112 A136 Y140	Y104-F138 HydrophobicContact CD1-CZ 4.34Å; Y104-F138 HydrophobicContact CE1-CZ 4.31Å; L107-F138 HydrophobicContact CB-CE1 3.96Å; L107-F138 HydrophobicContact CB-CZ 4.19Å; L107-F138 HydrophobicContact CD2-CE1 4.44Å; L107-F138 HydrophobicContact CD2-CZ 3.83Å; Y112-F138 HydrophobicContact CD2-CE1 4.47Å; Y112-F138 HydrophobicContact CG-CE1 4.31Å; Y112-F138 HydrophobicContact CG-CZ 4.27Å; Y112-F138 VanDerWaalsContact O-CB 3.23Å; Y112-F138 WeakPolarHBondContact O-CB 3.4Å; A136-F138 VanDerWaalsContact C-N 3.29Å; A136-F138 HydrophobicContact CB-CD1 4.4Å; A136-F138 HydrophobicContact CB-CE1 4.19Å; A136-F138 HydrophobicContact CB-CZ 4.29Å; F138-Y140 HydrophobicContact CD2-CD2 4.43Å; F138-Y140 HydrophobicContact CD2-CE2 4.03Å; F138-Y140 HydrophobicContact CE2-CD2 4.18Å; F138-Y140 AromaticContact CE2-CE2 3.37Å; F138-Y140 HydrophobicContact CE2-CE2 3.37Å; F138-Y140 AromaticContact CE2-CZ 3.84Å; F138-Y140 AromaticContact CZ-CE2 3.92Å; F138-Y140 HydrophobicContact CZ-CE2 3.92Å
139	P	98.5	Very high	98.5	Very high	62 Å²	62	41.5 Å²	41.5	40%	0.403	21%	0.21	S	C	.	.			trans	-70.8	152.3	-175.9	28.9	-35.2	0	0	0	112	T113 V114 G115 L159	T113-P139 WeakPolarHBondContact O-CD 3.23Å; V114-P139 WeakPolarHBondContact CA-O 3.34Å; V114-P139 WeakPolarHBondContact CG2-O 3.4Å; G115-P139 PolarHBondContact N-O 3.22Å; P139-L159 HydrophobicContact CB-CD2 4.36Å; P139-L159 HydrophobicContact CG-CD2 3.62Å
140	Y	98.8	Very high	98.5	Very high	27 Å²	27	44 Å²	44	11%	0.106	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-109.3	142.7	168.8	-90.6	-103.7	0	0	0	111	L80 Y104 G115 T116 L117 L133 A136 F138	L80-Y140 VanDerWaalsContact CD1-OH 3.27Å; L80-Y140 WeakPolarHBondContact CD1-OH 3.35Å; Y104-Y140 AromaticContact CE1-CE2 3.81Å; Y104-Y140 HydrophobicContact CE1-CE2 3.81Å; Y104-Y140 AromaticContact CE1-CZ 3.81Å; Y104-Y140 VanDerWaalsContact CE1-OH 3.28Å; Y104-Y140 WeakPolarHBondContact CE1-OH 3.27Å; Y104-Y140 PolarHBondContact OH-OH 3.19Å; G115-Y140 CarbonylContact O-C 3.19Å; G115-Y140 VanDerWaalsContact O-CA 3.27Å; G115-Y140 WeakPolarHBondContact O-CA 3.15Å; T116-Y140 VanDerWaalsContact O-CE1 3.22Å; T116-Y140 WeakPolarHBondContact O-CE1 3.39Å; L117-Y140 HydrophobicContact CD2-CD1 3.68Å; L117-Y140 HydrophobicContact CD2-CE1 4.08Å; L133-Y140 HydrophobicContact CD2-CD1 3.55Å; L133-Y140 HydrophobicContact CD2-CD2 3.75Å; L133-Y140 HydrophobicContact CD2-CE1 3.62Å; L133-Y140 HydrophobicContact CD2-CE2 3.83Å; L133-Y140 HydrophobicContact CD2-CG 3.63Å; A136-Y140 HydrophobicContact CB-CD2 4.22Å; A136-Y140 HydrophobicContact CB-CE2 3.84Å; F138-Y140 HydrophobicContact CD2-CD2 4.43Å; F138-Y140 HydrophobicContact CD2-CE2 4.03Å; F138-Y140 HydrophobicContact CE2-CD2 4.18Å; F138-Y140 AromaticContact CE2-CE2 3.37Å; F138-Y140 HydrophobicContact CE2-CE2 3.37Å; F138-Y140 AromaticContact CE2-CZ 3.84Å; F138-Y140 AromaticContact CZ-CE2 3.92Å; F138-Y140 HydrophobicContact CZ-CE2 3.92Å
141	V	98.9	Very high	98.5	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.006	23%	0.225	C	C	.	.			trans	-124.5	140.3	175	-63.8	0	0	0	0	111.4	V114 G115 T116 T156 L159 L226	V114-V141 HydrophobicContact CG2-CB 4.44Å; V114-V141 HydrophobicContact CG2-CG1 3.99Å; V114-V141 HydrophobicContact CG2-CG2 3.73Å; G115-V141 PolarHBondContact O-N 2.89Å; T116-V141 WeakPolarHBondContact CA-O 3.44Å; T116-V141 WeakPolarHBondContact CB-O 3.5Å; T116-V141 PolarHBondContact OG1-O 3.01Å; V141-T156 CarbonylContact C-O 3.57Å; V141-T156 WeakPolarHBondContact CA-O 3.44Å; V141-L159 HydrophobicContact CG1-CB 4Å; V141-L226 HydrophobicContact CG2-CD1 4.21Å
142	N	98.9	Very high	98.5	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.242	C	C	.	.			trans	-156.9	124.2	166.4	178.3	-76.7	0	0	0	109.6	L117 N144 V145 F155 T156 P157 G181	L117-N142 HydrophobicContact CD1-CB 3.94Å; L117-N142 HydrophobicContact CG-CB 4.25Å; N142-N144 PolarHBondContact ND2-OD1 2.74Å; N142-N144 PolarHBondContact OD1-N 3.33Å; N142-N144 PolarHBondContact OD1-OD1 3.47Å; N142-V145 VanDerWaalsContact OD1-CB 3.31Å; N142-V145 WeakPolarHBondContact OD1-CB 3.44Å; N142-V145 VanDerWaalsContact OD1-CG2 3.24Å; N142-V145 WeakPolarHBondContact OD1-CG2 3.37Å; N142-V145 PolarHBondContact OD1-N 3.03Å; N142-F155 HydrophobicContact CB-CB 4.07Å; N142-F155 HydrophobicContact CB-CD2 3.97Å; N142-F155 HydrophobicContact CB-CG 4.24Å; N142-T156 PolarHBondContact N-O 3.38Å; N142-P157 WeakPolarHBondContact O-CA 3.32Å; N142-G181 CarbonylContact C-O 3.53Å; N142-G181 WeakPolarHBondContact CA-O 3.36Å
143	A	98.8	Very high	98.5	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.008	25%	0.253	C	S	.	.	S	Bend	trans	-98	-20.5	-171.8	0	0	0	0	0	114.2	P157 I180 G181 V182 T207 Y211	A143-P157 HydrophobicContact CB-CB 3.86Å; A143-I180 HydrophobicContact CB-CD1 3.9Å; A143-I180 HydrophobicContact CB-CG1 3.81Å; A143-G181 WeakPolarHBondContact CB-O 3.44Å; A143-G181 PolarHBondContact N-O 2.78Å; A143-V182 HydrophobicContact CB-CG1 4.49Å; A143-T207 HydrophobicContact CB-CG2 3.52Å; A143-Y211 HydrophobicContact CB-CD2 3.9Å; A143-Y211 HydrophobicContact CB-CE2 3.97Å
144	N	98.7	Very high	98.5	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-107.6	-8	-170	72.8	-32.8	0	0	0	115	N142 V182 V183 V201 N202 T207	N142-N144 PolarHBondContact ND2-OD1 2.74Å; N142-N144 PolarHBondContact OD1-N 3.33Å; N142-N144 PolarHBondContact OD1-OD1 3.47Å; N144-V182 HydrophobicContact CB-CG1 4.3Å; N144-V182 WeakPolarHBondContact OD1-CA 3.1Å; N144-V183 PolarHBondContact ND2-O 2.64Å; N144-V183 PolarHBondContact OD1-N 2.99Å; N144-V201 HydrophobicContact CB-CG1 4.41Å; N144-V201 WeakPolarHBondContact ND2-CG1 3.26Å; N144-V201 CarbonylContact O-C 3.54Å; N144-V201 VanDerWaalsContact O-CA 3.26Å; N144-V201 WeakPolarHBondContact O-CA 3.43Å; N144-N202 HydrophobicContact CB-CB 4.25Å; N144-N202 PolarHBondContact ND2-O 2.82Å; N144-N202 VanDerWaalsContact ND2-O 3.1Å; N144-N202 PolarHBondContact O-N 3.23Å; N144-T207 HydrophobicContact CB-CG2 3.9Å
145	V	98.8	Very high	98.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	121.6	168.9	-177.4	0	0	0	0	109.7	F122 N142 M154 F155 V183 I187 V199 V201	F122-V145 HydrophobicContact CZ-CG2 3.94Å; N142-V145 VanDerWaalsContact OD1-CB 3.31Å; N142-V145 WeakPolarHBondContact OD1-CB 3.44Å; N142-V145 VanDerWaalsContact OD1-CG2 3.24Å; N142-V145 WeakPolarHBondContact OD1-CG2 3.37Å; N142-V145 PolarHBondContact OD1-N 3.03Å; V145-M154 HydrophobicContact CG1-CB 3.98Å; V145-M154 HydrophobicContact CG1-SD 4.15Å; V145-M154 PolarHBondContact O-N 2.8Å; V145-F155 HydrophobicContact CB-CD2 4.2Å; V145-F155 HydrophobicContact CB-CE2 4.18Å; V145-F155 HydrophobicContact CG1-CD2 4.49Å; V145-F155 HydrophobicContact CG1-CE2 4.09Å; V145-V183 HydrophobicContact CG2-CG1 3.56Å; V145-I187 HydrophobicContact CG2-CD1 4.23Å; V145-V199 HydrophobicContact CG1-CB 4.01Å; V145-V199 HydrophobicContact CG1-CG1 4Å; V145-V199 HydrophobicContact CG1-CG2 4.31Å; V145-V201 HydrophobicContact CG2-CG2 4.22Å
146	I	98.9	Very high	98.5	Very high	15 Å²	15	53.2 Å²	53.2	8%	0.077	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	132.5	-172.4	-51.8	-55.7	0	0	0	109.5	A148 Q152 P153 V199 T200 N202	I146-A148 PolarHBondContact O-N 3.44Å; I146-Q152 WeakPolarHBondContact CG2-O 3.23Å; I146-P153 HydrophobicContact CD1-CB 4.45Å; I146-P153 HydrophobicContact CD1-CG 4.34Å; I146-V199 CarbonylContact O-C 3.47Å; I146-V199 WeakPolarHBondContact O-CA 3.44Å; I146-V199 WeakPolarHBondContact O-CB 3.24Å; I146-T200 PolarHBondContact N-O 2.97Å; I146-T200 PolarHBondContact O-N 2.97Å; I146-N202 WeakPolarHBondContact CG1-ND2 3.36Å
147	D	98.6	Very high	98.5	Very high	40 Å²	40	53.6 Å²	53.6	21%	0.214	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	123.4	173	174.2	-63.4	0	0	0	109.8	R149 T150 K151 Q152	D147-R149 PolarHBondContact O-N 2.65Å; D147-R149 WeakPolarHBondContact OD1-CA 3.5Å; D147-R149 WeakPolarHBondContact OD1-CB 3.14Å; D147-R149 PolarHBondContact OD1-N 2.76Å; D147-T150 WeakPolarHBondContact CB-OG1 3.3Å; D147-T150 PolarHBondContact OD1-N 2.88Å; D147-T150 PolarHBondContact OD1-OG1 3.46Å; D147-K151 WeakPolarHBondContact O-CA 3.43Å; D147-K151 PolarHBondContact O-N 2.76Å; D147-Q152 PolarHBondContact N-O 2.94Å
148	A	98	Very high	98.5	Very high	20 Å²	20	46.9 Å²	46.9	17%	0.165	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-22.7	-171.6	0	0	0	0	0	113.3	I146 K151 K198	I146-A148 PolarHBondContact O-N 3.44Å; A148-K151 VanDerWaalsContact O-CE 3.23Å; A148-K151 WeakPolarHBondContact O-CE 3.16Å; A148-K151 PolarHBondContact O-NZ 3.41Å; A148-K198 VanDerWaalsContact CB-C 3.47Å; A148-K198 VanDerWaalsContact CB-O 3.28Å; A148-K198 WeakPolarHBondContact CB-O 3.31Å; A148-K198 PolarHBondContact N-O 3.5Å
149	R	97.9	Very high	98.5	Very high	205 Å²	205	48.5 Å²	48.5	77%	0.774	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-49.1	-178.4	-179.6	-177.6	62.9	88	3.5	111.3	D147	D147-R149 PolarHBondContact O-N 2.65Å; D147-R149 WeakPolarHBondContact OD1-CA 3.5Å; D147-R149 WeakPolarHBondContact OD1-CB 3.14Å; D147-R149 PolarHBondContact OD1-N 2.76Å
150	T	98.2	Very high	98.5	Very high	55 Å²	55	47.7 Å²	47.7	34%	0.337	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-19	-174.9	65.7	0	0	0	0	113.1	D147 Q152	D147-T150 WeakPolarHBondContact CB-OG1 3.3Å; D147-T150 PolarHBondContact OD1-N 2.88Å; D147-T150 PolarHBondContact OD1-OG1 3.46Å; T150-Q152 PolarHBondContact O-N 2.98Å; T150-Q152 PolarHBondContact OG1-N 3.15Å
151	K	98.2	Very high	98.5	Very high	137 Å²	137	50.3 Å²	50.3	60%	0.596	25%	0.245	S	C	*	.			trans	60.2	18.9	-172.8	-49.1	-55.1	-172.1	-172	0	113.5	D147 A148	D147-K151 WeakPolarHBondContact O-CA 3.43Å; D147-K151 PolarHBondContact O-N 2.76Å; A148-K151 VanDerWaalsContact O-CE 3.23Å; A148-K151 WeakPolarHBondContact O-CE 3.16Å; A148-K151 PolarHBondContact O-NZ 3.41Å
152	Q	98.2	Very high	98.5	Very high	118 Å²	118	54.8 Å²	54.8	55%	0.551	27%	0.268	S	S	*	.	S	Bend	trans	-101.1	157.3	174	-61.3	-53.9	-49.5	0	0	110.3	I146 D147 T150 M154	I146-Q152 WeakPolarHBondContact CG2-O 3.23Å; D147-Q152 PolarHBondContact N-O 2.94Å; T150-Q152 PolarHBondContact O-N 2.98Å; T150-Q152 PolarHBondContact OG1-N 3.15Å; Q152-M154 PolarHBondContact O-N 2.9Å
153	P	98.3	Very high	98.5	Very high	35 Å²	35	55.8 Å²	55.8	23%	0.227	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-49.4	132.8	169.8	-27	36	0	0	0	111.5	I146 F155 P157	I146-P153 HydrophobicContact CD1-CB 4.45Å; I146-P153 HydrophobicContact CD1-CG 4.34Å; P153-F155 VanDerWaalsContact C-N 3.31Å; P153-F155 WeakPolarHBondContact CB-O 3.05Å; P153-P157 HydrophobicContact CB-CG 3.69Å; P153-P157 HydrophobicContact CG-CG 3.69Å
154	M	98.2	Very high	98.4	Very high	66 Å²	66	62.6 Å²	62.6	33%	0.325	31%	0.306	S	S	.	.	S	Bend	trans	-71.3	-31.3	179.4	-178	171.3	-172.1	0	0	111.7	L126 V145 Q152 V199	L126-M154 HydrophobicContact CB-CE 4.23Å; L126-M154 HydrophobicContact CD1-CE 3.87Å; L126-M154 HydrophobicContact CD1-SD 4.29Å; L126-M154 HydrophobicContact CD2-CE 3.91Å; L126-M154 HydrophobicContact CD2-SD 4.07Å; L126-M154 HydrophobicContact CG-CE 4.21Å; V145-M154 HydrophobicContact CG1-CB 3.98Å; V145-M154 HydrophobicContact CG1-SD 4.15Å; V145-M154 PolarHBondContact O-N 2.8Å; Q152-M154 PolarHBondContact O-N 2.9Å; M154-V199 HydrophobicContact SD-CG1 3.32Å; M154-V199 WeakPolarHBondContact SD-CG1 3.31Å
155	F	98.4	Very high	98.4	Very high	40 Å²	40	62.8 Å²	62.8	18%	0.175	31%	0.308	C	S	.	.	S	Bend	trans	-118.1	169.7	177.9	-55.8	-84.8	0	0	0	110.1	L117 F122 L129 L133 N142 V145 P153 P157	L117-F155 HydrophobicContact CD1-CD1 4.26Å; L117-F155 HydrophobicContact CD1-CD2 3.75Å; L117-F155 HydrophobicContact CD1-CE1 3.96Å; L117-F155 HydrophobicContact CD1-CE2 3.41Å; L117-F155 VanDerWaalsContact CD1-CE2 3.41Å; L117-F155 HydrophobicContact CD1-CG 4.17Å; L117-F155 HydrophobicContact CD1-CZ 3.53Å; F122-F155 HydrophobicContact CE1-CE2 4.35Å; F122-F155 HydrophobicContact CE1-CZ 4.5Å; F122-F155 HydrophobicContact CZ-CE2 4.43Å; L129-F155 HydrophobicContact CD2-CZ 3.97Å; L133-F155 HydrophobicContact CD1-CD1 4.5Å; L133-F155 HydrophobicContact CD1-CE1 3.89Å; N142-F155 HydrophobicContact CB-CB 4.07Å; N142-F155 HydrophobicContact CB-CD2 3.97Å; N142-F155 HydrophobicContact CB-CG 4.24Å; V145-F155 HydrophobicContact CB-CD2 4.2Å; V145-F155 HydrophobicContact CB-CE2 4.18Å; V145-F155 HydrophobicContact CG1-CD2 4.49Å; V145-F155 HydrophobicContact CG1-CE2 4.09Å; P153-F155 VanDerWaalsContact C-N 3.31Å; P153-F155 WeakPolarHBondContact CB-O 3.05Å; F155-P157 VanDerWaalsContact O-CD 3.24Å; F155-P157 WeakPolarHBondContact O-CD 3.32Å
156	T	98.4	Very high	98.4	Very high	86 Å²	86	64.9 Å²	64.9	53%	0.528	32%	0.32	S	S	.	.			trans	-58.4	119	167.3	-59.1	0	0	0	0	108.8	V141 N142 Y158	V141-T156 CarbonylContact C-O 3.57Å; V141-T156 WeakPolarHBondContact CA-O 3.44Å; N142-T156 PolarHBondContact N-O 3.38Å; T156-Y158 VanDerWaalsContact CG2-O 3.32Å; T156-Y158 WeakPolarHBondContact CG2-O 3.1Å; T156-Y158 PolarHBondContact O-N 3.24Å
157	P	98.7	Very high	98.3	Very high	26 Å²	26	64.4 Å²	64.4	17%	0.169	32%	0.318	C	S	.	.			trans	-63.5	-44.1	-173.7	-26.7	36.3	0	0	0	113.6	N142 A143 P153 F155 Y211	N142-P157 WeakPolarHBondContact O-CA 3.32Å; A143-P157 HydrophobicContact CB-CB 3.86Å; P153-P157 HydrophobicContact CB-CG 3.69Å; P153-P157 HydrophobicContact CG-CG 3.69Å; F155-P157 VanDerWaalsContact O-CD 3.24Å; F155-P157 WeakPolarHBondContact O-CD 3.32Å; P157-Y211 HydrophobicContact CB-CE1 4.08Å; P157-Y211 HydrophobicContact CB-CE2 4.23Å; P157-Y211 HydrophobicContact CG-CE1 4.4Å
158	Y	98.8	Very high	98.2	Very high	34 Å²	34	68.3 Å²	68.3	13%	0.133	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	165	-177.4	70.3	-98	0	0	0	110.3	T156 I160 Y179 Y211 E214 M215 K218	T156-Y158 VanDerWaalsContact CG2-O 3.32Å; T156-Y158 WeakPolarHBondContact CG2-O 3.1Å; T156-Y158 PolarHBondContact O-N 3.24Å; Y158-I160 HydrophobicContact CD2-CG1 4.13Å; Y158-I160 HydrophobicContact CE2-CD1 4.02Å; Y158-I160 HydrophobicContact CE2-CG1 3.97Å; Y158-Y179 CarbonylContact C-O 3.36Å; Y158-Y179 WeakPolarHBondContact CA-O 3.47Å; Y158-Y179 WeakPolarHBondContact CB-O 3.43Å; Y158-Y211 AromaticContact CD1-CD1 3.77Å; Y158-Y211 HydrophobicContact CD1-CD1 3.77Å; Y158-Y211 HydrophobicContact CD1-CE1 4.37Å; Y158-Y211 HydrophobicContact CD1-CG 4.28Å; Y158-Y211 AromaticContact CE1-CD1 3.73Å; Y158-Y211 HydrophobicContact CE1-CD1 3.73Å; Y158-Y211 HydrophobicContact CE1-CE1 4.23Å; Y158-E214 PolarHBondContact OH-OE1 3.18Å; Y158-M215 HydrophobicContact CD1-CG 3.99Å; Y158-M215 HydrophobicContact CD1-SD 4.18Å; Y158-M215 HydrophobicContact CD2-CE 4.07Å; Y158-M215 HydrophobicContact CD2-CG 3.55Å; Y158-M215 HydrophobicContact CD2-SD 3.99Å; Y158-M215 HydrophobicContact CE1-CG 4.12Å; Y158-M215 HydrophobicContact CE2-CG 3.69Å; Y158-M215 HydrophobicContact CG-CE 4.2Å; Y158-M215 HydrophobicContact CG-CG 3.72Å; Y158-M215 HydrophobicContact CG-SD 3.72Å; Y158-K218 WeakPolarHBondContact OH-CD 3.29Å; Y158-K218 WeakPolarHBondContact OH-CE 3.29Å; Y158-K218 PolarHBondContact OH-NZ 2.69Å
159	L	98.7	Very high	98.1	Very high	50 Å²	50	73.2 Å²	73.2	26%	0.262	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	135.1	174.8	172.5	66.5	0	0	0	109.3	P139 V141 K161 G178 Y179	P139-L159 HydrophobicContact CB-CD2 4.36Å; P139-L159 HydrophobicContact CG-CD2 3.62Å; V141-L159 HydrophobicContact CG1-CB 4Å; L159-K161 HydrophobicContact CD2-CB 4.41Å; L159-K161 HydrophobicContact CG-CB 4.4Å; L159-G178 CarbonylContact O-C 3.53Å; L159-G178 VanDerWaalsContact O-CA 3.27Å; L159-G178 WeakPolarHBondContact O-CA 3.17Å; L159-Y179 PolarHBondContact N-O 3.46Å; L159-Y179 PolarHBondContact O-N 2.77Å
160	I	98.8	Very high	98	Very high	45 Å²	45	65.7 Å²	65.7	23%	0.231	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	119	165.5	-58.5	171	0	0	0	107.2	Y158 K176 I177 M215 K218 A220	Y158-I160 HydrophobicContact CD2-CG1 4.13Å; Y158-I160 HydrophobicContact CE2-CD1 4.02Å; Y158-I160 HydrophobicContact CE2-CG1 3.97Å; I160-K176 HydrophobicContact CG2-CB 4.04Å; I160-K176 HydrophobicContact CG2-CG 4.49Å; I160-I177 WeakPolarHBondContact CA-O 3.28Å; I160-M215 HydrophobicContact CD1-CB 4.34Å; I160-M215 WeakPolarHBondContact CD1-O 3.47Å; I160-K218 HydrophobicContact CD1-CB 3.63Å; I160-A220 HydrophobicContact CD1-CB 4.19Å; I160-A220 HydrophobicContact CG1-CB 4.3Å; I160-A220 HydrophobicContact CG2-CB 4.41Å
161	K	98.5	Very high	97.9	Very high	83 Å²	83	68.9 Å²	68.9	36%	0.361	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	125.1	-174.7	-173	179.9	178.3	-175	0	110.5	T113 L159 T163 I177 Y179	T113-K161 HydrophobicContact CG2-CD 3.9Å; L159-K161 HydrophobicContact CD2-CB 4.41Å; L159-K161 HydrophobicContact CG-CB 4.4Å; K161-T163 PolarHBondContact O-N 2.8Å; K161-T163 PolarHBondContact O-OG1 3.3Å; K161-I177 PolarHBondContact N-O 3.14Å; K161-I177 PolarHBondContact O-N 2.7Å; K161-Y179 HydrophobicContact CB-CE2 4.2Å
162	D	98.4	Very high	97.9	Very high	94 Å²	94	69.7 Å²	69.7	50%	0.503	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.3	119.7	166.6	-72.2	-4.7	0	0	0	108.8	T174 K176	D162-T174 HydrophobicContact CB-CG2 3.8Å; D162-K176 WeakPolarHBondContact OD1-CG 3.27Å; D162-K176 IonicContact OD1-NZ 3.29Å; D162-K176 PolarHBondContact OD1-NZ 2.85Å; D162-K176 IonicContact OD2-NZ 3.41Å; D162-K176 PolarHBondContact OD2-NZ 3.49Å
163	T	98.3	Very high	97.9	Very high	21 Å²	21	67.4 Å²	67.4	13%	0.129	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	115	-176.8	-53.8	0	0	0	0	108.6	V73 K161 V165 L175 I177	V73-T163 HydrophobicContact CG1-CG2 4.31Å; K161-T163 PolarHBondContact O-N 2.8Å; K161-T163 PolarHBondContact O-OG1 3.3Å; T163-V165 HydrophobicContact CG2-CG1 4.07Å; T163-V165 PolarHBondContact O-N 3.08Å; T163-L175 WeakPolarHBondContact CB-O 3.48Å; T163-L175 PolarHBondContact N-O 3Å; T163-L175 PolarHBondContact O-N 3.2Å; T163-I177 HydrophobicContact CG2-CD1 4.04Å
164	E	98.1	Very high	97.8	Very high	144 Å²	144	69.8 Å²	69.8	67%	0.673	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.9	127	171.8	-70.6	-170.6	103	0	0	109.5	K172 Q173	E164-K172 IonicContact OE1-NZ 3.62Å; E164-Q173 WeakPolarHBondContact CA-O 3.17Å
165	V	98.2	Very high	97.8	Very high	5 Å²	5	68 Å²	68	3%	0.03	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	161.3	178.7	-61.8	0	0	0	0	110.1	V25 N71 T163 K172 Q173 L175	V25-V165 HydrophobicContact CB-CG2 4.46Å; V25-V165 HydrophobicContact CG1-CB 3.93Å; V25-V165 HydrophobicContact CG1-CG1 4.43Å; V25-V165 HydrophobicContact CG1-CG2 3.81Å; V25-V165 HydrophobicContact CG2-CG2 3.81Å; N71-V165 HydrophobicContact CB-CB 4.28Å; N71-V165 HydrophobicContact CB-CG1 4.13Å; N71-V165 VanDerWaalsContact OD1-CA 3.32Å; N71-V165 WeakPolarHBondContact OD1-CA 3.23Å; N71-V165 WeakPolarHBondContact OD1-CB 3.37Å; T163-V165 HydrophobicContact CG2-CG1 4.07Å; T163-V165 PolarHBondContact O-N 3.08Å; V165-K172 CarbonylContact O-C 3.55Å; V165-K172 WeakPolarHBondContact O-CA 3.49Å; V165-Q173 HydrophobicContact CG2-CB 3.91Å; V165-Q173 PolarHBondContact N-O 3.13Å; V165-Q173 PolarHBondContact O-N 2.93Å; V165-L175 HydrophobicContact CG1-CB 4.26Å; V165-L175 HydrophobicContact CG2-CB 4.01Å
166	V	98.2	Very high	97.8	Very high	43 Å²	43	69.8 Å²	69.8	26%	0.261	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	124.9	176.3	-177.2	0	0	0	0	108.9	K70 N71 K171	K70-V166 HydrophobicContact CB-CB 4.44Å; K70-V166 HydrophobicContact CD-CB 4.22Å; K70-V166 HydrophobicContact CD-CG1 3.99Å; N71-V166 PolarHBondContact ND2-O 3.48Å; N71-V166 PolarHBondContact OD1-N 2.69Å; V166-K171 WeakPolarHBondContact CA-O 2.93Å
167	D	97.3	Very high	97.8	Very high	5 Å²	5	65.7 Å²	65.7	3%	0.027	33%	0.332	C	S	.	.			trans	-75.5	176.2	176.3	69.2	22.7	0	0	0	112.8	A23 T24 V25 D169 G170 K171 Q173	A23-D167 HydrophobicContact CB-CB 4.03Å; T24-D167 CarbonylContact O-C 3.55Å; T24-D167 WeakPolarHBondContact O-CA 3.41Å; T24-D167 WeakPolarHBondContact O-CB 3.22Å; V25-D167 HydrophobicContact CG2-CB 4.1Å; D167-D169 PolarHBondContact O-N 2.82Å; D167-D169 VanDerWaalsContact OD1-C 3.32Å; D167-D169 WeakPolarHBondContact OD1-CA 3.27Å; D167-D169 WeakPolarHBondContact OD1-CB 3.1Å; D167-D169 PolarHBondContact OD1-N 3.31Å; D167-G170 PolarHBondContact O-N 3.11Å; D167-G170 PolarHBondContact OD1-N 2.97Å; D167-K171 PolarHBondContact N-O 3.31Å; D167-K171 PolarHBondContact OD1-N 2.72Å; D167-K171 WeakPolarHBondContact OD2-CB 3.34Å; D167-Q173 HydrophobicContact CB-CG 4.02Å; D167-Q173 PolarHBondContact OD2-NE2 3.01Å
168	K	96.1	Very high	97.8	Very high	123 Å²	123	64.4 Å²	64.4	54%	0.535	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.7	178.1	-75.2	-173.7	175	167.7	0	113.9	T24 D26 G170	T24-K168 HydrophobicContact CG2-CD 3.71Å; T24-K168 HydrophobicContact CG2-CG 4.31Å; T24-K168 PolarHBondContact O-N 3.09Å; D26-K168 WeakPolarHBondContact OD1-CE 3.45Å; D26-K168 IonicContact OD1-NZ 2.85Å; D26-K168 PolarHBondContact OD1-NZ 2.78Å; D26-K168 WeakPolarHBondContact OD2-CE 3.2Å; D26-K168 IonicContact OD2-NZ 3.38Å; D26-K168 PolarHBondContact OD2-NZ 2.76Å; K168-G170 VanDerWaalsContact C-N 3.29Å
169	D	95.2	Very high	97.8	Very high	123 Å²	123	62.8 Å²	62.8	66%	0.658	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.4	0.1	175.6	-63.9	-20.6	0	0	0	112.5	D167 K171	D167-D169 PolarHBondContact O-N 2.82Å; D167-D169 VanDerWaalsContact OD1-C 3.32Å; D167-D169 WeakPolarHBondContact OD1-CA 3.27Å; D167-D169 WeakPolarHBondContact OD1-CB 3.1Å; D167-D169 PolarHBondContact OD1-N 3.31Å; D169-K171 HydrophobicContact CB-CD 4.4Å; D169-K171 HydrophobicContact CB-CG 4.44Å; D169-K171 IonicContact OD2-NZ 3.66Å
170	G	96.1	Very high	97.8	Very high	46 Å²	46	60.4 Å²	60.4	47%	0.474	31%	0.305	S	S	.	.	S	Bend	trans	81.2	10.6	-179.3	0	0	0	0	0	114.5	D167 K168	D167-G170 PolarHBondContact O-N 3.11Å; D167-G170 PolarHBondContact OD1-N 2.97Å; K168-G170 VanDerWaalsContact C-N 3.29Å
171	K	97.1	Very high	97.8	Very high	122 Å²	122	58.3 Å²	58.3	53%	0.53	30%	0.295	S	S	.	.			trans	-88.6	142.5	178.7	-57.2	167.3	-175.1	153.1	0	110.3	V166 D167 D169	V166-K171 WeakPolarHBondContact CA-O 2.93Å; D167-K171 PolarHBondContact N-O 3.31Å; D167-K171 PolarHBondContact OD1-N 2.72Å; D167-K171 WeakPolarHBondContact OD2-CB 3.34Å; D169-K171 HydrophobicContact CB-CD 4.4Å; D169-K171 HydrophobicContact CB-CG 4.44Å; D169-K171 IonicContact OD2-NZ 3.66Å
172	K	97.8	Very high	97.9	Very high	155 Å²	155	54.3 Å²	54.3	67%	0.674	28%	0.277	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	135.5	171.6	-69.3	-171.4	172.1	-161.7	0	110.1	E164 V165	E164-K172 IonicContact OE1-NZ 3.62Å; V165-K172 CarbonylContact O-C 3.55Å; V165-K172 WeakPolarHBondContact O-CA 3.49Å
173	Q	97.2	Very high	97.9	Very high	69 Å²	69	49.9 Å²	49.9	32%	0.322	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	160.8	174.1	-52.6	-62.4	-17.5	0	0	108.5	A23 E164 V165 D167	A23-Q173 HydrophobicContact CB-CG 4.05Å; E164-Q173 WeakPolarHBondContact CA-O 3.17Å; V165-Q173 HydrophobicContact CG2-CB 3.91Å; V165-Q173 PolarHBondContact N-O 3.13Å; V165-Q173 PolarHBondContact O-N 2.93Å; D167-Q173 HydrophobicContact CB-CG 4.02Å; D167-Q173 PolarHBondContact OD2-NE2 3.01Å
174	T	97.6	Very high	97.9	Very high	85 Å²	85	49 Å²	49	52%	0.521	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	120.8	169.2	-59.3	0	0	0	0	108.4	D162	D162-T174 HydrophobicContact CB-CG2 3.8Å
175	L	97.7	Very high	97.9	Very high	29 Å²	29	42.4 Å²	42.4	15%	0.152	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	123.9	175.7	-171.8	69.9	0	0	0	109.6	L27 T163 V165 I177 D221 V222	L27-L175 HydrophobicContact CD2-CD2 3.97Å; T163-L175 WeakPolarHBondContact CB-O 3.48Å; T163-L175 PolarHBondContact N-O 3Å; T163-L175 PolarHBondContact O-N 3.2Å; V165-L175 HydrophobicContact CG1-CB 4.26Å; V165-L175 HydrophobicContact CG2-CB 4.01Å; L175-I177 HydrophobicContact CB-CG1 4.5Å; L175-I177 HydrophobicContact CD2-CD1 4.08Å; L175-I177 HydrophobicContact CD2-CG1 3.86Å; L175-I177 HydrophobicContact CG-CG1 3.97Å; L175-I177 PolarHBondContact O-N 3.1Å; L175-D221 HydrophobicContact CD1-CB 3.54Å; L175-D221 HydrophobicContact CG-CB 4.39Å; L175-V222 HydrophobicContact CD2-CG2 4.49Å
176	K	98.5	Very high	97.9	Very high	77 Å²	77	44.5 Å²	44.5	34%	0.335	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	97.8	174.7	-76.8	173.4	-173.7	-63.4	0	109.6	I160 D162 G219 A220 D221 V222	I160-K176 HydrophobicContact CG2-CB 4.04Å; I160-K176 HydrophobicContact CG2-CG 4.49Å; D162-K176 WeakPolarHBondContact OD1-CG 3.27Å; D162-K176 IonicContact OD1-NZ 3.29Å; D162-K176 PolarHBondContact OD1-NZ 2.85Å; D162-K176 IonicContact OD2-NZ 3.41Å; D162-K176 PolarHBondContact OD2-NZ 3.49Å; K176-G219 VanDerWaalsContact CB-O 3.24Å; K176-G219 WeakPolarHBondContact CB-O 3.38Å; K176-G219 WeakPolarHBondContact CD-O 3.27Å; K176-A220 CarbonylContact O-C 3.54Å; K176-D221 WeakPolarHBondContact CB-OD2 3.24Å; K176-D221 PolarHBondContact N-OD2 3.01Å; K176-D221 PolarHBondContact O-N 2.98Å; K176-V222 PolarHBondContact O-N 3.1Å
177	I	98.9	Very high	97.9	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	118.1	179	-49.1	174.4	0	0	0	109	L27 V73 I160 K161 T163 L175 Y179 V224	L27-I177 HydrophobicContact CD2-CD1 3.83Å; V73-I177 HydrophobicContact CG1-CD1 4.17Å; I160-I177 WeakPolarHBondContact CA-O 3.28Å; K161-I177 PolarHBondContact N-O 3.14Å; K161-I177 PolarHBondContact O-N 2.7Å; T163-I177 HydrophobicContact CG2-CD1 4.04Å; L175-I177 HydrophobicContact CB-CG1 4.5Å; L175-I177 HydrophobicContact CD2-CD1 4.08Å; L175-I177 HydrophobicContact CD2-CG1 3.86Å; L175-I177 HydrophobicContact CG-CG1 3.97Å; L175-I177 PolarHBondContact O-N 3.1Å; I177-Y179 HydrophobicContact CB-CE2 3.76Å; I177-Y179 HydrophobicContact CG2-CD1 4.41Å; I177-Y179 HydrophobicContact CG2-CD2 4.3Å; I177-Y179 HydrophobicContact CG2-CE1 3.78Å; I177-Y179 HydrophobicContact CG2-CE2 3.64Å; I177-Y179 WeakPolarHBondContact CG2-OH 3.43Å; I177-Y179 WeakPolarHBondContact O-CD2 3.3Å; I177-Y179 WeakPolarHBondContact O-CE2 3.26Å; I177-V224 HydrophobicContact CG2-CG2 3.76Å
178	G	98.9	Very high	98	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	132.8	170.4	0	0	0	0	0	111.2	L159 M215 V222 V223 V224	L159-G178 CarbonylContact O-C 3.53Å; L159-G178 VanDerWaalsContact O-CA 3.27Å; L159-G178 WeakPolarHBondContact O-CA 3.17Å; G178-M215 VanDerWaalsContact C-CE 3.43Å; G178-M215 VanDerWaalsContact CA-CE 3.42Å; G178-V222 PolarHBondContact N-O 3.48Å; G178-V223 CarbonylContact O-C 3.47Å; G178-V223 WeakPolarHBondContact O-CA 3.41Å; G178-V224 PolarHBondContact O-N 3.19Å
179	Y	98.9	Very high	98	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.1	176.2	-56.8	-89.4	0	0	0	109.4	V75 T113 V114 Y158 L159 K161 I177 V224	V75-Y179 HydrophobicContact CG1-CD1 4.13Å; V75-Y179 HydrophobicContact CG1-CE1 3.83Å; T113-Y179 HydrophobicContact CG2-CE1 4.37Å; T113-Y179 HydrophobicContact CG2-CE2 3.91Å; V114-Y179 HydrophobicContact CB-CG 4.39Å; V114-Y179 HydrophobicContact CG1-CD1 3.35Å; V114-Y179 HydrophobicContact CG1-CD2 4.16Å; V114-Y179 HydrophobicContact CG1-CE1 3.87Å; V114-Y179 HydrophobicContact CG1-CG 3.51Å; Y158-Y179 CarbonylContact C-O 3.36Å; Y158-Y179 WeakPolarHBondContact CA-O 3.47Å; Y158-Y179 WeakPolarHBondContact CB-O 3.43Å; L159-Y179 PolarHBondContact N-O 3.46Å; L159-Y179 PolarHBondContact O-N 2.77Å; K161-Y179 HydrophobicContact CB-CE2 4.2Å; I177-Y179 HydrophobicContact CB-CE2 3.76Å; I177-Y179 HydrophobicContact CG2-CD1 4.41Å; I177-Y179 HydrophobicContact CG2-CD2 4.3Å; I177-Y179 HydrophobicContact CG2-CE1 3.78Å; I177-Y179 HydrophobicContact CG2-CE2 3.64Å; I177-Y179 WeakPolarHBondContact CG2-OH 3.43Å; I177-Y179 WeakPolarHBondContact O-CD2 3.3Å; I177-Y179 WeakPolarHBondContact O-CE2 3.26Å; Y179-V224 WeakPolarHBondContact CA-O 3.48Å; Y179-V224 HydrophobicContact CD1-CB 3.87Å; Y179-V224 HydrophobicContact CD1-CG1 4.28Å; Y179-V224 HydrophobicContact CD1-CG2 4.34Å; Y179-V224 HydrophobicContact CE1-CB 4.2Å; Y179-V224 HydrophobicContact CE1-CG2 4.19Å
180	I	98.9	Very high	98.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.9	178.4	-179.9	170.6	0	0	0	109.7	A143 V208 Y211 M215 V223 V224 V225 L226	A143-I180 HydrophobicContact CB-CD1 3.9Å; A143-I180 HydrophobicContact CB-CG1 3.81Å; I180-V208 HydrophobicContact CD1-CG2 4.48Å; I180-Y211 VanDerWaalsContact CD1-CB 3.47Å; I180-Y211 HydrophobicContact CD1-CD2 4.15Å; I180-Y211 HydrophobicContact CD1-CG 4.12Å; I180-M215 HydrophobicContact CB-CE 4.27Å; I180-M215 HydrophobicContact CB-SD 4.02Å; I180-M215 HydrophobicContact CD1-SD 4.43Å; I180-M215 HydrophobicContact CG2-CE 4.48Å; I180-M215 HydrophobicContact CG2-SD 4.31Å; I180-V223 HydrophobicContact CG2-CG1 4.08Å; I180-V224 PolarHBondContact N-O 3.48Å; I180-V224 VanDerWaalsContact N-O 3.07Å; I180-V225 HydrophobicContact CG2-CB 4.15Å; I180-V225 HydrophobicContact CG2-CG1 4.12Å; I180-V225 HydrophobicContact CG2-CG2 3.79Å; I180-L226 PolarHBondContact O-N 3.02Å
181	G	98.8	Very high	98.2	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	141.7	-177.7	0	0	0	0	0	112.9	T116 N142 A143 L226	T116-G181 WeakPolarHBondContact OG1-CA 3.39Å; N142-G181 CarbonylContact C-O 3.53Å; N142-G181 WeakPolarHBondContact CA-O 3.36Å; A143-G181 WeakPolarHBondContact CB-O 3.44Å; A143-G181 PolarHBondContact N-O 2.78Å; G181-L226 CarbonylContact C-O 3.56Å; G181-L226 VanDerWaalsContact CA-O 3.3Å; G181-L226 WeakPolarHBondContact CA-O 3.41Å
182	V	98.9	Very high	98.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	144.1	173.8	-69.5	0	0	0	0	111.4	A143 N144 I204 T207 V208 V225 L226 A227 H228	A143-V182 HydrophobicContact CB-CG1 4.49Å; N144-V182 HydrophobicContact CB-CG1 4.3Å; N144-V182 WeakPolarHBondContact OD1-CA 3.1Å; V182-I204 HydrophobicContact CB-CG1 4.25Å; V182-I204 HydrophobicContact CB-CG2 4.29Å; V182-I204 HydrophobicContact CG2-CG1 4.38Å; V182-I204 HydrophobicContact CG2-CG2 3.74Å; V182-T207 HydrophobicContact CG1-CG2 4.32Å; V182-V208 HydrophobicContact CG1-CG2 3.88Å; V182-V208 HydrophobicContact CG2-CG2 4.36Å; V182-V225 HydrophobicContact CG2-CG1 4.45Å; V182-L226 PolarHBondContact N-O 2.92Å; V182-A227 HydrophobicContact CG2-CB 3.62Å; V182-H228 PolarHBondContact O-N 3.29Å
183	V	98.7	Very high	98.3	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.21	C	C	.	.			trans	-121.8	156.7	-177.7	70	0	0	0	0	110.8	L117 G118 F122 N144 V145 I187 V201	L117-V183 WeakPolarHBondContact O-CB 3.06Å; G118-V183 VanDerWaalsContact C-CG2 3.48Å; G118-V183 WeakPolarHBondContact O-CG2 2.96Å; F122-V183 HydrophobicContact CE2-CG1 4.44Å; F122-V183 HydrophobicContact CE2-CG2 4.1Å; N144-V183 PolarHBondContact ND2-O 2.64Å; N144-V183 PolarHBondContact OD1-N 2.99Å; V145-V183 HydrophobicContact CG2-CG1 3.56Å; V183-I187 HydrophobicContact CG1-CD1 3.86Å; V183-I187 HydrophobicContact CG2-CD1 4.48Å; V183-I187 HydrophobicContact CG2-CG2 4.1Å; V183-V201 HydrophobicContact CG1-CG1 4.38Å
184	P	98.4	Very high	98.3	Very high	3 Å²	3	36.7 Å²	36.7	2%	0.019	21%	0.205	C	C	.	.			trans	-61.7	132.8	-179.8	-25.9	39	0	0	0	111.8	Q186 I187 W190 H228 E241	P184-Q186 HydrophobicContact CB-CB 4.47Å; P184-Q186 PolarHBondContact O-N 3.08Å; P184-I187 WeakPolarHBondContact O-CG2 3.4Å; P184-I187 PolarHBondContact O-N 3.25Å; P184-W190 HydrophobicContact CB-CH2 4.29Å; P184-W190 HydrophobicContact CB-CZ3 4.07Å; P184-W190 HydrophobicContact CG-CZ3 4.44Å; P184-H228 WeakPolarHBondContact CD-O 3.48Å; P184-H228 WeakPolarHBondContact CG-O 3.49Å; P184-E241 HydrophobicContact CB-CG 4.05Å; P184-E241 HydrophobicContact CG-CG 4.39Å
185	P	98.4	Very high	98.4	Very high	6 Å²	6	32.7 Å²	32.7	4%	0.039	18%	0.18	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-19	176	-22.7	33	0	0	0	114.2	I187 M188 V201 M239	P185-I187 PolarHBondContact O-N 3.29Å; P185-I187 VanDerWaalsContact O-N 3.17Å; P185-M188 PolarHBondContact O-N 3.43Å; P185-V201 HydrophobicContact CB-CB 4.35Å; P185-V201 HydrophobicContact CB-CG1 4.1Å; P185-V201 HydrophobicContact CG-CG1 4.34Å; P185-M239 HydrophobicContact CB-CB 4.46Å; P185-M239 HydrophobicContact CB-CE 3.32Å; P185-M239 HydrophobicContact CB-SD 4Å; P185-M239 HydrophobicContact CG-CE 4.1Å; P185-M239 HydrophobicContact CG-SD 4.13Å
186	Q	98.4	Very high	98.4	Very high	48 Å²	48	34.7 Å²	34.7	22%	0.224	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-18.6	178.3	-71.6	64.1	30.2	0	0	113.6	P184 M188 G189 W190 M239 E241	P184-Q186 HydrophobicContact CB-CB 4.47Å; P184-Q186 PolarHBondContact O-N 3.08Å; Q186-M188 PolarHBondContact O-N 3.05Å; Q186-G189 WeakPolarHBondContact O-CA 3.16Å; Q186-G189 PolarHBondContact O-N 3.1Å; Q186-W190 HydrophobicContact CB-CD2 3.71Å; Q186-W190 VanDerWaalsContact CB-CE2 3.44Å; Q186-W190 HydrophobicContact CB-CE3 3.82Å; Q186-W190 HydrophobicContact CB-CH2 3.5Å; Q186-W190 HydrophobicContact CB-CZ2 3.34Å; Q186-W190 HydrophobicContact CB-CZ3 3.73Å; Q186-W190 HydrophobicContact CG-CH2 4.11Å; Q186-W190 HydrophobicContact CG-CZ2 3.77Å; Q186-W190 PolarHBondContact O-N 2.74Å; Q186-M239 PolarHBondContact NE2-O 3Å; Q186-E241 HydrophobicContact CG-CB 4.27Å; Q186-E241 VanDerWaalsContact OE1-CA 3.29Å
187	I	98.4	Very high	98.3	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-55	-27.9	173.1	68	173.7	0	0	0	112.1	N119 F122 V145 V183 P184 P185 G189 W190 D191 L195 V201	N119-I187 HydrophobicContact CB-CG2 3.47Å; N119-I187 VanDerWaalsContact CB-CG2 3.47Å; F122-I187 HydrophobicContact CD1-CD1 4.42Å; F122-I187 HydrophobicContact CD2-CD1 3.75Å; F122-I187 HydrophobicContact CD2-CG2 4.35Å; F122-I187 HydrophobicContact CE1-CD1 4.3Å; F122-I187 HydrophobicContact CE2-CD1 3.65Å; F122-I187 HydrophobicContact CG-CD1 4.15Å; F122-I187 HydrophobicContact CZ-CD1 3.93Å; V145-I187 HydrophobicContact CG2-CD1 4.23Å; V183-I187 HydrophobicContact CG1-CD1 3.86Å; V183-I187 HydrophobicContact CG2-CD1 4.48Å; V183-I187 HydrophobicContact CG2-CG2 4.1Å; P184-I187 WeakPolarHBondContact O-CG2 3.4Å; P184-I187 PolarHBondContact O-N 3.25Å; P185-I187 PolarHBondContact O-N 3.29Å; P185-I187 VanDerWaalsContact O-N 3.17Å; I187-G189 PolarHBondContact O-N 3.26Å; I187-W190 HydrophobicContact CG2-CE3 4.23Å; I187-D191 WeakPolarHBondContact O-CA 3.42Å; I187-D191 WeakPolarHBondContact O-CB 3.4Å; I187-D191 PolarHBondContact O-N 3.01Å; I187-L195 HydrophobicContact CB-CD1 4.02Å; I187-L195 HydrophobicContact CD1-CD1 3.86Å; I187-L195 HydrophobicContact CG1-CD1 3.82Å; I187-V201 HydrophobicContact CD1-CG2 3.68Å; I187-V201 HydrophobicContact CG1-CG2 3.69Å
188	M	98.2	Very high	98.3	Very high	52 Å²	52	39.4 Å²	39.4	26%	0.256	24%	0.238	S	C	.	.	H	α-helix	trans	-65	-26.2	174.7	-67.3	-53.3	-54.9	0	0	113.3	P185 Q186 K192 L195 V199 V201	P185-M188 PolarHBondContact O-N 3.43Å; Q186-M188 PolarHBondContact O-N 3.05Å; M188-K192 WeakPolarHBondContact O-CB 3.17Å; M188-L195 HydrophobicContact CE-CB 4.34Å; M188-L195 HydrophobicContact SD-CB 4.19Å; M188-L195 HydrophobicContact SD-CD1 4.32Å; M188-V199 WeakPolarHBondContact CE-O 3.43Å; M188-V199 HydrophobicContact SD-CG2 3.91Å; M188-V201 HydrophobicContact CG-CB 4.11Å; M188-V201 HydrophobicContact CG-CG2 3.73Å; M188-V201 HydrophobicContact SD-CG2 3.83Å
189	G	98	Very high	98.3	Very high	55 Å²	55	39.5 Å²	39.5	57%	0.567	24%	0.238	S	C	*	.	H	α-helix	trans	-88.4	-51.6	171.7	0	0	0	0	0	112.3	Q186 I187	Q186-G189 WeakPolarHBondContact O-CA 3.16Å; Q186-G189 PolarHBondContact O-N 3.1Å; I187-G189 PolarHBondContact O-N 3.26Å
190	W	98	Very high	98.3	Very high	128 Å²	128	42.2 Å²	42.2	49%	0.485	26%	0.255	S	S	.	.	H	α-helix	trans	-64.7	-43.2	-175.4	-57.4	-31.7	0	0	0	112.9	N119 P184 Q186 I187 E241	N119-W190 HydrophobicContact CB-CE3 3.87Å; N119-W190 HydrophobicContact CB-CZ3 3.73Å; P184-W190 HydrophobicContact CB-CH2 4.29Å; P184-W190 HydrophobicContact CB-CZ3 4.07Å; P184-W190 HydrophobicContact CG-CZ3 4.44Å; Q186-W190 HydrophobicContact CB-CD2 3.71Å; Q186-W190 VanDerWaalsContact CB-CE2 3.44Å; Q186-W190 HydrophobicContact CB-CE3 3.82Å; Q186-W190 HydrophobicContact CB-CH2 3.5Å; Q186-W190 HydrophobicContact CB-CZ2 3.34Å; Q186-W190 HydrophobicContact CB-CZ3 3.73Å; Q186-W190 HydrophobicContact CG-CH2 4.11Å; Q186-W190 HydrophobicContact CG-CZ2 3.77Å; Q186-W190 PolarHBondContact O-N 2.74Å; I187-W190 HydrophobicContact CG2-CE3 4.23Å; W190-E241 HydrophobicContact CH2-CG 4.01Å; W190-E241 WeakPolarHBondContact CZ2-OE2 3.28Å
191	D	97.2	Very high	98.3	Very high	14 Å²	14	42.7 Å²	42.7	8%	0.075	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.4	29.4	-176.9	-75.7	-67.9	0	0	0	112.8	F122 N123 I187 A193 N194 L195	F122-D191 HydrophobicContact CB-CB 4.27Å; N123-D191 VanDerWaalsContact CA-OD1 3.29Å; N123-D191 WeakPolarHBondContact CA-OD1 3.43Å; N123-D191 PolarHBondContact ND2-OD1 2.86Å; N123-D191 PolarHBondContact ND2-OD2 2.91Å; I187-D191 WeakPolarHBondContact O-CA 3.42Å; I187-D191 WeakPolarHBondContact O-CB 3.4Å; I187-D191 PolarHBondContact O-N 3.01Å; D191-A193 PolarHBondContact O-N 3.41Å; D191-N194 HydrophobicContact CB-CB 4.47Å; D191-N194 WeakPolarHBondContact O-CA 3.43Å; D191-N194 WeakPolarHBondContact O-CB 3.34Å; D191-N194 PolarHBondContact O-N 2.62Å; D191-L195 HydrophobicContact CB-CD1 3.9Å; D191-L195 HydrophobicContact CB-CG 4.04Å; D191-L195 WeakPolarHBondContact O-CG 3.46Å; D191-L195 PolarHBondContact O-N 3.03Å
192	K	97.8	Very high	98.3	Very high	133 Å²	133	46 Å²	46	58%	0.578	28%	0.276	S	S	*	.	H	α-helix	trans	-49.2	-41	-176.1	-175.6	177.6	178.4	179.2	0	113.4	M188 N194 L195 S196	M188-K192 WeakPolarHBondContact O-CB 3.17Å; K192-N194 PolarHBondContact O-N 3.17Å; K192-L195 PolarHBondContact O-N 2.7Å; K192-S196 WeakPolarHBondContact O-CB 3.46Å; K192-S196 PolarHBondContact O-N 3.46Å
193	A	98	Very high	98.3	Very high	100 Å²	100	46.2 Å²	46.2	83%	0.826	28%	0.277	S	S	*	.	H	α-helix	trans	-61.9	-33.4	179.4	0	0	0	0	0	112.8	D191	D191-A193 PolarHBondContact O-N 3.41Å
194	N	98.2	Very high	98.3	Very high	41 Å²	41	46.2 Å²	46.2	22%	0.219	28%	0.277	C	S	.	.	H	α-helix	trans	-85.7	-31	-179.5	-71.4	-38.8	0	0	0	112.7	F122 N123 D191 K192 K198	F122-N194 PolarHBondContact O-ND2 2.94Å; N123-N194 VanDerWaalsContact C-ND2 3.28Å; N123-N194 PolarHBondContact O-ND2 3.46Å; D191-N194 HydrophobicContact CB-CB 4.47Å; D191-N194 WeakPolarHBondContact O-CA 3.43Å; D191-N194 WeakPolarHBondContact O-CB 3.34Å; D191-N194 PolarHBondContact O-N 2.62Å; K192-N194 PolarHBondContact O-N 3.17Å; N194-K198 WeakPolarHBondContact O-CD 3.47Å; N194-K198 WeakPolarHBondContact O-CE 3.48Å; N194-K198 PolarHBondContact O-NZ 3.18Å
195	L	98.6	Very high	98.2	Very high	0 Å²	0	46 Å²	46	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-110.1	-25.3	-166.3	-57.7	-174.6	0	0	0	115.4	F122 L126 I187 M188 D191 K192 G197 K198 V199	F122-L195 HydrophobicContact CB-CD1 4.16Å; F122-L195 HydrophobicContact CB-CD2 4.18Å; F122-L195 HydrophobicContact CB-CG 4.49Å; F122-L195 HydrophobicContact CD1-CD1 4.26Å; F122-L195 HydrophobicContact CD1-CD2 3.71Å; F122-L195 HydrophobicContact CG-CD1 4.23Å; F122-L195 HydrophobicContact CG-CD2 4.28Å; L126-L195 HydrophobicContact CD1-CD2 4.46Å; L126-L195 HydrophobicContact CD2-CD2 3.65Å; L126-L195 HydrophobicContact CG-CD2 4.06Å; I187-L195 HydrophobicContact CB-CD1 4.02Å; I187-L195 HydrophobicContact CD1-CD1 3.86Å; I187-L195 HydrophobicContact CG1-CD1 3.82Å; M188-L195 HydrophobicContact CE-CB 4.34Å; M188-L195 HydrophobicContact SD-CB 4.19Å; M188-L195 HydrophobicContact SD-CD1 4.32Å; D191-L195 HydrophobicContact CB-CD1 3.9Å; D191-L195 HydrophobicContact CB-CG 4.04Å; D191-L195 WeakPolarHBondContact O-CG 3.46Å; D191-L195 PolarHBondContact O-N 3.03Å; K192-L195 PolarHBondContact O-N 2.7Å; L195-G197 PolarHBondContact O-N 3.37Å; L195-K198 WeakPolarHBondContact O-CB 3.24Å; L195-K198 PolarHBondContact O-N 3.34Å; L195-V199 HydrophobicContact CB-CG2 3.78Å; L195-V199 HydrophobicContact CD1-CG2 4.32Å; L195-V199 HydrophobicContact CD2-CG2 3.96Å; L195-V199 HydrophobicContact CG-CG2 4.23Å; L195-V199 PolarHBondContact O-N 3.47Å
196	S	97.8	Very high	98.2	Very high	72 Å²	72	50.8 Å²	50.8	50%	0.503	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.6	129.3	-174.6	-177.9	0	0	0	0	112	K192 K198	K192-S196 WeakPolarHBondContact O-CB 3.46Å; K192-S196 PolarHBondContact O-N 3.46Å; S196-K198 PolarHBondContact O-N 2.92Å
197	G	98	Very high	98.2	Very high	73 Å²	73	48.8 Å²	48.8	75%	0.753	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.1	-4.3	-179.1	0	0	0	0	0	115.2	L195	L195-G197 PolarHBondContact O-N 3.37Å
198	K	98.5	Very high	98.2	Very high	102 Å²	102	48.9 Å²	48.9	44%	0.443	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-41.1	-178.8	-54.6	178.9	-164.6	162.7	0	112	L126 A148 N194 L195 S196	L126-K198 HydrophobicContact CD1-CB 3.73Å; L126-K198 HydrophobicContact CD1-CD 3.82Å; L126-K198 HydrophobicContact CD1-CG 4.43Å; A148-K198 VanDerWaalsContact CB-C 3.47Å; A148-K198 VanDerWaalsContact CB-O 3.28Å; A148-K198 WeakPolarHBondContact CB-O 3.31Å; A148-K198 PolarHBondContact N-O 3.5Å; N194-K198 WeakPolarHBondContact O-CD 3.47Å; N194-K198 WeakPolarHBondContact O-CE 3.48Å; N194-K198 PolarHBondContact O-NZ 3.18Å; L195-K198 WeakPolarHBondContact O-CB 3.24Å; L195-K198 PolarHBondContact O-N 3.34Å; S196-K198 PolarHBondContact O-N 2.92Å
199	V	98.7	Very high	98.2	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	164.4	179.7	-58.7	0	0	0	0	112.1	L126 V145 I146 M154 M188 L195	L126-V199 HydrophobicContact CD1-CG1 4Å; V145-V199 HydrophobicContact CG1-CB 4.01Å; V145-V199 HydrophobicContact CG1-CG1 4Å; V145-V199 HydrophobicContact CG1-CG2 4.31Å; I146-V199 CarbonylContact O-C 3.47Å; I146-V199 WeakPolarHBondContact O-CA 3.44Å; I146-V199 WeakPolarHBondContact O-CB 3.24Å; M154-V199 HydrophobicContact SD-CG1 3.32Å; M154-V199 WeakPolarHBondContact SD-CG1 3.31Å; M188-V199 WeakPolarHBondContact CE-O 3.43Å; M188-V199 HydrophobicContact SD-CG2 3.91Å; L195-V199 HydrophobicContact CB-CG2 3.78Å; L195-V199 HydrophobicContact CD1-CG2 4.32Å; L195-V199 HydrophobicContact CD2-CG2 3.96Å; L195-V199 HydrophobicContact CG-CG2 4.23Å; L195-V199 PolarHBondContact O-N 3.47Å
200	T	98.6	Very high	98.3	Very high	58 Å²	58	56.2 Å²	56.2	36%	0.356	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	162.1	160.4	57	0	0	0	0	108.7	I146	I146-T200 PolarHBondContact N-O 2.97Å; I146-T200 PolarHBondContact O-N 2.97Å
201	V	98.7	Very high	98.3	Very high	10 Å²	10	51 Å²	51	6%	0.061	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	129.5	176	-171.6	0	0	0	0	109.8	N144 V145 V183 P185 I187 M188 M239	N144-V201 HydrophobicContact CB-CG1 4.41Å; N144-V201 WeakPolarHBondContact ND2-CG1 3.26Å; N144-V201 CarbonylContact O-C 3.54Å; N144-V201 VanDerWaalsContact O-CA 3.26Å; N144-V201 WeakPolarHBondContact O-CA 3.43Å; V145-V201 HydrophobicContact CG2-CG2 4.22Å; V183-V201 HydrophobicContact CG1-CG1 4.38Å; P185-V201 HydrophobicContact CB-CB 4.35Å; P185-V201 HydrophobicContact CB-CG1 4.1Å; P185-V201 HydrophobicContact CG-CG1 4.34Å; I187-V201 HydrophobicContact CD1-CG2 3.68Å; I187-V201 HydrophobicContact CG1-CG2 3.69Å; M188-V201 HydrophobicContact CG-CB 4.11Å; M188-V201 HydrophobicContact CG-CG2 3.73Å; M188-V201 HydrophobicContact SD-CG2 3.83Å; V201-M239 WeakPolarHBondContact O-CE 3.39Å
202	N	98.7	Very high	98.4	Very high	70 Å²	70	51.4 Å²	51.4	37%	0.374	28%	0.283	S	S	.	.			trans	-85.8	159.8	176.5	-66.1	-17.5	0	0	0	111.1	N144 I146 T207	N144-N202 HydrophobicContact CB-CB 4.25Å; N144-N202 PolarHBondContact ND2-O 2.82Å; N144-N202 VanDerWaalsContact ND2-O 3.1Å; N144-N202 PolarHBondContact O-N 3.23Å; I146-N202 WeakPolarHBondContact CG1-ND2 3.36Å; N202-T207 WeakPolarHBondContact CB-OG1 3.44Å
203	D	98.4	Very high	98.4	Very high	3 Å²	3	48.6 Å²	48.6	2%	0.016	28%	0.279	C	S	.	.			trans	-55.6	139	173.4	177.4	-93.7	0	0	0	112	T205 E206 T207 Y236 V238 M239	D203-T205 WeakPolarHBondContact OD1-CA 3.31Å; D203-T205 WeakPolarHBondContact OD1-CB 3.48Å; D203-T205 PolarHBondContact OD1-N 3.01Å; D203-E206 HydrophobicContact CB-CB 4.13Å; D203-E206 HydrophobicContact CB-CG 4.25Å; D203-E206 PolarHBondContact OD1-N 3.49Å; D203-T207 WeakPolarHBondContact O-CB 3.35Å; D203-T207 PolarHBondContact O-N 2.9Å; D203-T207 VanDerWaalsContact O-N 3.08Å; D203-T207 PolarHBondContact O-OG1 3.32Å; D203-Y236 PolarHBondContact OD1-OH 3.34Å; D203-Y236 VanDerWaalsContact OD1-OH 3.14Å; D203-V238 HydrophobicContact CB-CG1 4.03Å; D203-M239 HydrophobicContact CB-SD 4.03Å; D203-M239 WeakPolarHBondContact OD2-CA 3.28Å; D203-M239 PolarHBondContact OD2-N 2.91Å
204	I	98.6	Very high	98.4	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.3	-55.8	-178.2	-74.3	164.6	0	0	0	110.6	V182 T207 V208 L247	V182-I204 HydrophobicContact CB-CG1 4.25Å; V182-I204 HydrophobicContact CB-CG2 4.29Å; V182-I204 HydrophobicContact CG2-CG1 4.38Å; V182-I204 HydrophobicContact CG2-CG2 3.74Å; I204-T207 PolarHBondContact O-N 3.37Å; I204-V208 WeakPolarHBondContact O-CG2 3.33Å; I204-V208 PolarHBondContact O-N 3.25Å; I204-L247 HydrophobicContact CG2-CD1 4.28Å; I204-L247 HydrophobicContact CG2-CD2 3.94Å
205	T	97.8	Very high	98.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-67	-44.2	-173	-58.8	0	0	0	0	111.9	D203 T207 V208 R209 Y236	D203-T205 WeakPolarHBondContact OD1-CA 3.31Å; D203-T205 WeakPolarHBondContact OD1-CB 3.48Å; D203-T205 PolarHBondContact OD1-N 3.01Å; T205-T207 VanDerWaalsContact C-N 3.33Å; T205-T207 PolarHBondContact O-N 3.11Å; T205-V208 PolarHBondContact O-N 3.07Å; T205-R209 HydrophobicContact CG2-CG 4.46Å; T205-R209 WeakPolarHBondContact O-CB 3.3Å; T205-R209 VanDerWaalsContact O-CG 3.29Å; T205-R209 WeakPolarHBondContact O-CG 3.41Å; T205-R209 PolarHBondContact O-N 2.85Å; T205-Y236 HydrophobicContact CG2-CE2 3.92Å
206	E	98.2	Very high	98.4	Very high	105 Å²	105	53 Å²	53	49%	0.491	27%	0.273	S	S	.	.	H	α-helix	trans	-63	-39.7	175.9	-68.1	-177.5	175.8	0	0	111.8	D203 R209 K210	D203-E206 HydrophobicContact CB-CB 4.13Å; D203-E206 HydrophobicContact CB-CG 4.25Å; D203-E206 PolarHBondContact OD1-N 3.49Å; E206-R209 PolarHBondContact O-N 2.97Å; E206-K210 WeakPolarHBondContact O-CB 3.4Å; E206-K210 PolarHBondContact O-N 2.8Å
207	T	98.7	Very high	98.5	Very high	6 Å²	6	57.9 Å²	57.9	4%	0.037	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-47.4	176.6	-61.4	0	0	0	0	111.2	A143 N144 V182 N202 D203 I204 T205 K210 Y211	A143-T207 HydrophobicContact CB-CG2 3.52Å; N144-T207 HydrophobicContact CB-CG2 3.9Å; V182-T207 HydrophobicContact CG1-CG2 4.32Å; N202-T207 WeakPolarHBondContact CB-OG1 3.44Å; D203-T207 WeakPolarHBondContact O-CB 3.35Å; D203-T207 PolarHBondContact O-N 2.9Å; D203-T207 VanDerWaalsContact O-N 3.08Å; D203-T207 PolarHBondContact O-OG1 3.32Å; I204-T207 PolarHBondContact O-N 3.37Å; T205-T207 VanDerWaalsContact C-N 3.33Å; T205-T207 PolarHBondContact O-N 3.11Å; T207-K210 WeakPolarHBondContact O-CB 3.3Å; T207-K210 PolarHBondContact O-N 2.92Å; T207-Y211 HydrophobicContact CG2-CD2 3.78Å; T207-Y211 HydrophobicContact CG2-CE2 3.93Å; T207-Y211 WeakPolarHBondContact O-CD2 3.35Å; T207-Y211 PolarHBondContact O-N 3.19Å; T207-Y211 VanDerWaalsContact O-N 3.13Å
208	V	98.6	Very high	98.5	Very high	2 Å²	2	60 Å²	60	1%	0.012	28%	0.277	C	S	.	.	H	α-helix	trans	-64.4	-44.6	178.3	174.4	0	0	0	0	110.9	I180 V182 I204 T205 K210 Y211 V212 V225 L247	I180-V208 HydrophobicContact CD1-CG2 4.48Å; V182-V208 HydrophobicContact CG1-CG2 3.88Å; V182-V208 HydrophobicContact CG2-CG2 4.36Å; I204-V208 WeakPolarHBondContact O-CG2 3.33Å; I204-V208 PolarHBondContact O-N 3.25Å; T205-V208 PolarHBondContact O-N 3.07Å; V208-K210 PolarHBondContact O-N 3.05Å; V208-Y211 PolarHBondContact O-N 3.17Å; V208-V212 HydrophobicContact CG1-CG2 3.57Å; V208-V212 WeakPolarHBondContact O-CB 3.3Å; V208-V212 VanDerWaalsContact O-CG2 3.27Å; V208-V212 WeakPolarHBondContact O-CG2 3.42Å; V208-V212 PolarHBondContact O-N 2.82Å; V208-V225 HydrophobicContact CG1-CG1 4.44Å; V208-V225 HydrophobicContact CG1-CG2 4.01Å; V208-V225 HydrophobicContact CG2-CG1 3.91Å; V208-L247 HydrophobicContact CB-CD2 3.84Å; V208-L247 HydrophobicContact CG1-CD2 4.09Å; V208-L247 HydrophobicContact CG2-CD2 3.8Å
209	R	98.1	Very high	98.5	Very high	137 Å²	137	56.6 Å²	56.6	52%	0.517	27%	0.271	S	S	.	.	H	α-helix	trans	-60.9	-29.7	176.5	-76	178	-178.7	156.3	6.1	113.4	T205 E206 P213	T205-R209 HydrophobicContact CG2-CG 4.46Å; T205-R209 WeakPolarHBondContact O-CB 3.3Å; T205-R209 VanDerWaalsContact O-CG 3.29Å; T205-R209 WeakPolarHBondContact O-CG 3.41Å; T205-R209 PolarHBondContact O-N 2.85Å; E206-R209 PolarHBondContact O-N 2.97Å; R209-P213 WeakPolarHBondContact O-CD 3.26Å; R209-P213 WeakPolarHBondContact O-CG 3.41Å
210	K	98.3	Very high	98.5	Very high	125 Å²	125	57 Å²	57	54%	0.543	27%	0.274	S	S	.	.	H	α-helix	trans	-70.1	-49.7	173.4	177.7	-170.3	173.6	-169.3	0	111.8	E206 T207 V208	E206-K210 WeakPolarHBondContact O-CB 3.4Å; E206-K210 PolarHBondContact O-N 2.8Å; T207-K210 WeakPolarHBondContact O-CB 3.3Å; T207-K210 PolarHBondContact O-N 2.92Å; V208-K210 PolarHBondContact O-N 3.05Å
211	Y	98.7	Very high	98.5	Very high	19 Å²	19	59 Å²	59	8%	0.075	28%	0.283	C	S	.	.	H	α-helix	trans	-86.7	-28.8	-169.1	-78	-67.5	0	0	0	114.4	A143 P157 Y158 I180 T207 V208 E214 M215	A143-Y211 HydrophobicContact CB-CD2 3.9Å; A143-Y211 HydrophobicContact CB-CE2 3.97Å; P157-Y211 HydrophobicContact CB-CE1 4.08Å; P157-Y211 HydrophobicContact CB-CE2 4.23Å; P157-Y211 HydrophobicContact CG-CE1 4.4Å; Y158-Y211 AromaticContact CD1-CD1 3.77Å; Y158-Y211 HydrophobicContact CD1-CD1 3.77Å; Y158-Y211 HydrophobicContact CD1-CE1 4.37Å; Y158-Y211 HydrophobicContact CD1-CG 4.28Å; Y158-Y211 AromaticContact CE1-CD1 3.73Å; Y158-Y211 HydrophobicContact CE1-CD1 3.73Å; Y158-Y211 HydrophobicContact CE1-CE1 4.23Å; I180-Y211 VanDerWaalsContact CD1-CB 3.47Å; I180-Y211 HydrophobicContact CD1-CD2 4.15Å; I180-Y211 HydrophobicContact CD1-CG 4.12Å; T207-Y211 HydrophobicContact CG2-CD2 3.78Å; T207-Y211 HydrophobicContact CG2-CE2 3.93Å; T207-Y211 WeakPolarHBondContact O-CD2 3.35Å; T207-Y211 PolarHBondContact O-N 3.19Å; T207-Y211 VanDerWaalsContact O-N 3.13Å; V208-Y211 PolarHBondContact O-N 3.17Å; Y211-E214 WeakPolarHBondContact O-CB 3.4Å; Y211-E214 PolarHBondContact O-N 3.23Å; Y211-M215 VanDerWaalsContact O-CG 3.27Å; Y211-M215 WeakPolarHBondContact O-CG 3.29Å; Y211-M215 PolarHBondContact O-N 2.85Å
212	V	98.6	Very high	98.4	Very high	21 Å²	21	61.2 Å²	61.2	13%	0.127	30%	0.296	C	S	.	.	H	α-helix	trans	-59.6	-45.5	-179.7	169.1	0	0	0	0	112.6	V208 E214 M215 R216 V223	V208-V212 HydrophobicContact CG1-CG2 3.57Å; V208-V212 WeakPolarHBondContact O-CB 3.3Å; V208-V212 VanDerWaalsContact O-CG2 3.27Å; V208-V212 WeakPolarHBondContact O-CG2 3.42Å; V208-V212 PolarHBondContact O-N 2.82Å; V212-E214 VanDerWaalsContact C-N 3.34Å; V212-E214 PolarHBondContact O-N 2.93Å; V212-M215 PolarHBondContact O-N 2.86Å; V212-R216 WeakPolarHBondContact O-CG 3.44Å; V212-R216 PolarHBondContact O-N 2.85Å; V212-V223 HydrophobicContact CG2-CG1 4.06Å
213	P	98.6	Very high	98.4	Very high	75 Å²	75	59.5 Å²	59.5	49%	0.487	29%	0.288	S	S	.	.	H	α-helix	trans	-58.5	-43.6	174	-25.8	35.8	0	0	0	112.9	R209 M215 R216 E217	R209-P213 WeakPolarHBondContact O-CD 3.26Å; R209-P213 WeakPolarHBondContact O-CG 3.41Å; P213-M215 VanDerWaalsContact C-N 3.35Å; P213-M215 PolarHBondContact O-N 3.33Å; P213-R216 PolarHBondContact O-N 2.85Å; P213-E217 WeakPolarHBondContact O-CB 3.38Å; P213-E217 PolarHBondContact O-N 3.14Å
214	E	98.6	Very high	98.4	Very high	61 Å²	61	60.2 Å²	60.2	29%	0.285	29%	0.292	S	S	.	.	H	α-helix	trans	-61.6	-42	177.1	-176.6	-173.3	148.4	0	0	111.6	Y158 Y211 V212 E217 K218	Y158-E214 PolarHBondContact OH-OE1 3.18Å; Y211-E214 WeakPolarHBondContact O-CB 3.4Å; Y211-E214 PolarHBondContact O-N 3.23Å; V212-E214 VanDerWaalsContact C-N 3.34Å; V212-E214 PolarHBondContact O-N 2.93Å; E214-E217 PolarHBondContact O-N 2.9Å; E214-K218 HydrophobicContact CG-CD 4.17Å; E214-K218 WeakPolarHBondContact O-CB 3.38Å; E214-K218 WeakPolarHBondContact O-CG 3.44Å; E214-K218 PolarHBondContact O-N 3.46Å; E214-K218 IonicContact OE1-NZ 2.62Å; E214-K218 PolarHBondContact OE1-NZ 3.01Å
215	M	98.8	Very high	98.4	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64	-42.2	177.4	-69.3	167.7	71.4	0	0	111.9	Y158 I160 G178 I180 Y211 V212 P213 K218 G219 A220 V223	Y158-M215 HydrophobicContact CD1-CG 3.99Å; Y158-M215 HydrophobicContact CD1-SD 4.18Å; Y158-M215 HydrophobicContact CD2-CE 4.07Å; Y158-M215 HydrophobicContact CD2-CG 3.55Å; Y158-M215 HydrophobicContact CD2-SD 3.99Å; Y158-M215 HydrophobicContact CE1-CG 4.12Å; Y158-M215 HydrophobicContact CE2-CG 3.69Å; Y158-M215 HydrophobicContact CG-CE 4.2Å; Y158-M215 HydrophobicContact CG-CG 3.72Å; Y158-M215 HydrophobicContact CG-SD 3.72Å; I160-M215 HydrophobicContact CD1-CB 4.34Å; I160-M215 WeakPolarHBondContact CD1-O 3.47Å; G178-M215 VanDerWaalsContact C-CE 3.43Å; G178-M215 VanDerWaalsContact CA-CE 3.42Å; I180-M215 HydrophobicContact CB-CE 4.27Å; I180-M215 HydrophobicContact CB-SD 4.02Å; I180-M215 HydrophobicContact CD1-SD 4.43Å; I180-M215 HydrophobicContact CG2-CE 4.48Å; I180-M215 HydrophobicContact CG2-SD 4.31Å; Y211-M215 VanDerWaalsContact O-CG 3.27Å; Y211-M215 WeakPolarHBondContact O-CG 3.29Å; Y211-M215 PolarHBondContact O-N 2.85Å; V212-M215 PolarHBondContact O-N 2.86Å; P213-M215 VanDerWaalsContact C-N 3.35Å; P213-M215 PolarHBondContact O-N 3.33Å; M215-K218 CarbonylContact O-C 3.6Å; M215-K218 PolarHBondContact O-N 3.22Å; M215-G219 PolarHBondContact O-N 3.3Å; M215-A220 HydrophobicContact CB-CB 4.27Å; M215-A220 VanDerWaalsContact O-CB 3.26Å; M215-A220 WeakPolarHBondContact O-CB 3.24Å; M215-A220 PolarHBondContact O-N 3.17Å; M215-V223 HydrophobicContact CB-CG2 4.16Å; M215-V223 HydrophobicContact CE-CB 4.38Å; M215-V223 HydrophobicContact CE-CG1 3.57Å; M215-V223 HydrophobicContact CE-CG2 4.06Å; M215-V223 HydrophobicContact SD-CG1 4.06Å
216	R	98.5	Very high	98.5	Very high	172 Å²	172	62.6 Å²	62.6	65%	0.649	31%	0.307	S	S	*	.	H	α-helix	trans	-66.3	-42	176.5	-72.2	179.8	177.6	-176.1	1.4	111.9	V212 P213 K218 G219 V223	V212-R216 WeakPolarHBondContact O-CG 3.44Å; V212-R216 PolarHBondContact O-N 2.85Å; P213-R216 PolarHBondContact O-N 2.85Å; R216-K218 PolarHBondContact O-N 3.41Å; R216-G219 WeakPolarHBondContact O-CA 3.38Å; R216-G219 PolarHBondContact O-N 3.39Å; R216-V223 HydrophobicContact CG-CG2 4.44Å
217	E	98.6	Very high	98.5	Very high	174 Å²	174	58 Å²	58	81%	0.813	29%	0.287	S	S	*	.	H	α-helix	trans	-60.8	-36.2	174.1	-174.4	179	-175.2	0	0	111.7	P213 E214 G219	P213-E217 WeakPolarHBondContact O-CB 3.38Å; P213-E217 PolarHBondContact O-N 3.14Å; E214-E217 PolarHBondContact O-N 2.9Å; E217-G219 PolarHBondContact O-N 2.91Å
218	K	98.6	Very high	98.5	Very high	117 Å²	117	58.4 Å²	58.4	51%	0.509	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	5.7	173.2	-71.2	172	179.1	178.7	0	114.1	Y158 I160 E214 M215 R216	Y158-K218 WeakPolarHBondContact OH-CD 3.29Å; Y158-K218 WeakPolarHBondContact OH-CE 3.29Å; Y158-K218 PolarHBondContact OH-NZ 2.69Å; I160-K218 HydrophobicContact CD1-CB 3.63Å; E214-K218 HydrophobicContact CG-CD 4.17Å; E214-K218 WeakPolarHBondContact O-CB 3.38Å; E214-K218 WeakPolarHBondContact O-CG 3.44Å; E214-K218 PolarHBondContact O-N 3.46Å; E214-K218 IonicContact OE1-NZ 2.62Å; E214-K218 PolarHBondContact OE1-NZ 3.01Å; M215-K218 CarbonylContact O-C 3.6Å; M215-K218 PolarHBondContact O-N 3.22Å; R216-K218 PolarHBondContact O-N 3.41Å
219	G	98.2	Very high	98.5	Very high	31 Å²	31	59.5 Å²	59.5	32%	0.32	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	20.3	171.1	0	0	0	0	0	115.3	K176 M215 R216 E217 D221	K176-G219 VanDerWaalsContact CB-O 3.24Å; K176-G219 WeakPolarHBondContact CB-O 3.38Å; K176-G219 WeakPolarHBondContact CD-O 3.27Å; M215-G219 PolarHBondContact O-N 3.3Å; R216-G219 WeakPolarHBondContact O-CA 3.38Å; R216-G219 PolarHBondContact O-N 3.39Å; E217-G219 PolarHBondContact O-N 2.91Å; G219-D221 PolarHBondContact O-N 3.49Å
220	A	98.6	Very high	98.4	Very high	10 Å²	10	54.3 Å²	54.3	8%	0.083	29%	0.285	C	S	.	.			trans	-65.4	121.5	168.6	0	0	0	0	0	110.5	I160 K176 M215 V223	I160-A220 HydrophobicContact CD1-CB 4.19Å; I160-A220 HydrophobicContact CG1-CB 4.3Å; I160-A220 HydrophobicContact CG2-CB 4.41Å; K176-A220 CarbonylContact O-C 3.54Å; M215-A220 HydrophobicContact CB-CB 4.27Å; M215-A220 VanDerWaalsContact O-CB 3.26Å; M215-A220 WeakPolarHBondContact O-CB 3.24Å; M215-A220 PolarHBondContact O-N 3.17Å; A220-V223 HydrophobicContact CB-CG2 4.02Å
221	D	97.9	Very high	98.2	Very high	101 Å²	101	54.7 Å²	54.7	54%	0.54	29%	0.292	S	S	.	.	S	Bend	trans	-75.2	-37.6	175.6	-61	-56.6	0	0	0	111	L175 K176 G219	L175-D221 HydrophobicContact CD1-CB 3.54Å; L175-D221 HydrophobicContact CG-CB 4.39Å; K176-D221 WeakPolarHBondContact CB-OD2 3.24Å; K176-D221 PolarHBondContact N-OD2 3.01Å; K176-D221 PolarHBondContact O-N 2.98Å; G219-D221 PolarHBondContact O-N 3.49Å
222	V	98	Very high	97.9	Very high	57 Å²	57	54.9 Å²	54.9	35%	0.345	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	139.6	177.7	179.5	0	0	0	0	108.2	L175 K176 G178 V224	L175-V222 HydrophobicContact CD2-CG2 4.49Å; K176-V222 PolarHBondContact O-N 3.1Å; G178-V222 PolarHBondContact N-O 3.48Å; V222-V224 HydrophobicContact CG1-CG2 4.31Å
223	V	98.6	Very high	97.7	Very high	34 Å²	34	57.4 Å²	57.4	21%	0.206	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.3	171.3	179.7	0	0	0	0	109	G178 I180 V212 M215 R216 A220 V225	G178-V223 CarbonylContact O-C 3.47Å; G178-V223 WeakPolarHBondContact O-CA 3.41Å; I180-V223 HydrophobicContact CG2-CG1 4.08Å; V212-V223 HydrophobicContact CG2-CG1 4.06Å; M215-V223 HydrophobicContact CB-CG2 4.16Å; M215-V223 HydrophobicContact CE-CB 4.38Å; M215-V223 HydrophobicContact CE-CG1 3.57Å; M215-V223 HydrophobicContact CE-CG2 4.06Å; M215-V223 HydrophobicContact SD-CG1 4.06Å; R216-V223 HydrophobicContact CG-CG2 4.44Å; A220-V223 HydrophobicContact CB-CG2 4.02Å; V223-V225 HydrophobicContact CG1-CG2 4.42Å
224	V	98.7	Very high	97.4	Very high	17 Å²	17	59.2 Å²	59.2	10%	0.103	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	117.2	175.2	-176.5	0	0	0	0	107.9	I29 I177 G178 Y179 I180 V222 L226	I29-V224 HydrophobicContact CD1-CG1 4.38Å; I29-V224 HydrophobicContact CD1-CG2 3.63Å; I177-V224 HydrophobicContact CG2-CG2 3.76Å; G178-V224 PolarHBondContact O-N 3.19Å; Y179-V224 WeakPolarHBondContact CA-O 3.48Å; Y179-V224 HydrophobicContact CD1-CB 3.87Å; Y179-V224 HydrophobicContact CD1-CG1 4.28Å; Y179-V224 HydrophobicContact CD1-CG2 4.34Å; Y179-V224 HydrophobicContact CE1-CB 4.2Å; Y179-V224 HydrophobicContact CE1-CG2 4.19Å; I180-V224 PolarHBondContact N-O 3.48Å; I180-V224 VanDerWaalsContact N-O 3.07Å; V222-V224 HydrophobicContact CG1-CG2 4.31Å; V224-L226 HydrophobicContact CG1-CD2 3.92Å
225	V	98.6	Very high	97.2	Very high	44 Å²	44	61.4 Å²	61.4	27%	0.267	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	112.3	177.2	-173.4	0	0	0	0	108.6	I180 V182 V208 V223 A227 L247	I180-V225 HydrophobicContact CG2-CB 4.15Å; I180-V225 HydrophobicContact CG2-CG1 4.12Å; I180-V225 HydrophobicContact CG2-CG2 3.79Å; V182-V225 HydrophobicContact CG2-CG1 4.45Å; V208-V225 HydrophobicContact CG1-CG1 4.44Å; V208-V225 HydrophobicContact CG1-CG2 4.01Å; V208-V225 HydrophobicContact CG2-CG1 3.91Å; V223-V225 HydrophobicContact CG1-CG2 4.42Å; V225-A227 HydrophobicContact CG1-CB 4.2Å; V225-A227 PolarHBondContact O-N 2.92Å; V225-L247 HydrophobicContact CG1-CD1 3.89Å
226	L	98.8	Very high	96.9	Very high	6 Å²	6	64.7 Å²	64.7	3%	0.031	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	88.6	171.3	-48.7	178.9	0	0	0	107.2	V75 N77 V114 T116 V141 I180 G181 V182 V224	V75-L226 HydrophobicContact CB-CD1 4.45Å; V75-L226 HydrophobicContact CB-CD2 3.85Å; V75-L226 HydrophobicContact CG1-CD2 4.29Å; V75-L226 HydrophobicContact CG2-CD2 3.56Å; N77-L226 WeakPolarHBondContact OD1-CA 3.2Å; V114-L226 HydrophobicContact CG1-CD1 3.78Å; V114-L226 HydrophobicContact CG2-CD1 4.26Å; T116-L226 HydrophobicContact CG2-CB 3.44Å; T116-L226 VanDerWaalsContact CG2-CB 3.44Å; T116-L226 HydrophobicContact CG2-CD1 4.38Å; V141-L226 HydrophobicContact CG2-CD1 4.21Å; I180-L226 PolarHBondContact O-N 3.02Å; G181-L226 CarbonylContact C-O 3.56Å; G181-L226 VanDerWaalsContact CA-O 3.3Å; G181-L226 WeakPolarHBondContact CA-O 3.41Å; V182-L226 PolarHBondContact N-O 2.92Å; V224-L226 HydrophobicContact CG1-CD2 3.92Å
227	A	98.3	Very high	96.8	Very high	10 Å²	10	63.6 Å²	63.6	8%	0.083	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	109.9	179.4	0	0	0	0	0	109.4	N77 V182 V225 S229 V244 L247	N77-A227 PolarHBondContact ND2-O 3.41Å; N77-A227 PolarHBondContact OD1-N 3.19Å; V182-A227 HydrophobicContact CG2-CB 3.62Å; V225-A227 HydrophobicContact CG1-CB 4.2Å; V225-A227 PolarHBondContact O-N 2.92Å; A227-S229 PolarHBondContact O-N 2.91Å; A227-V244 HydrophobicContact CB-CG2 4.26Å; A227-L247 HydrophobicContact CB-CD1 3.67Å
228	H	98.7	Very high	96.6	Very high	14 Å²	14	59.3 Å²	59.3	7%	0.065	34%	0.343	C	S	.	.			trans	-77.3	79.8	166.5	-163.3	86	0	0	0	108.1	D34 N77 D79 G118 N119 V182 P184	D34-H228 IonicContact OD2-CE1 3.33Å; N77-H228 WeakPolarHBondContact O-CB 3.35Å; N77-H228 PolarHBondContact O-ND1 3.3Å; D79-H228 VanDerWaalsContact CG-NE2 3.3Å; D79-H228 IonicContact OD1-CE1 3.54Å; D79-H228 IonicContact OD1-NE2 3.49Å; D79-H228 IonicContact OD2-CE1 2.68Å; D79-H228 PolarHBondContact OD2-CE1 3.06Å; D79-H228 IonicContact OD2-NE2 3.82Å; D79-H228 PolarHBondContact OD2-NE2 2.86Å; G118-H228 WeakPolarHBondContact CA-CD2 3.5Å; N119-H228 PolarHBondContact OD1-CD2 3Å; N119-H228 PolarHBondContact OD1-NE2 3.03Å; V182-H228 PolarHBondContact O-N 3.29Å; P184-H228 WeakPolarHBondContact CD-O 3.48Å; P184-H228 WeakPolarHBondContact CG-O 3.49Å
229	S	98.2	Very high	96.6	Very high	25 Å²	25	57.6 Å²	57.6	18%	0.175	34%	0.337	C	S	.	.			trans	-160	144.5	-168.4	179.5	0	0	0	0	109.1	A227 E241 S243 V244	A227-S229 PolarHBondContact O-N 2.91Å; S229-E241 WeakPolarHBondContact CB-O 3.4Å; S229-E241 PolarHBondContact OG-O 3.21Å; S229-S243 PolarHBondContact OG-N 2.8Å; S229-V244 WeakPolarHBondContact O-CG2 3.07Å
230	G	95.9	Very high	96.5	Very high	27 Å²	27	57.2 Å²	57.2	28%	0.278	33%	0.332	S	S	.	.			trans	-78.1	163.3	177.3	0	0	0	0	0	113.8	N242 S243 V244	G230-N242 WeakPolarHBondContact CA-OD1 3.23Å; G230-N242 PolarHBondContact N-OD1 3.17Å; G230-N242 CarbonylContact O-C 3.54Å; G230-N242 VanDerWaalsContact O-CA 3.23Å; G230-N242 WeakPolarHBondContact O-CA 3.49Å; G230-N242 WeakPolarHBondContact O-CB 3.32Å; G230-S243 PolarHBondContact O-N 3.31Å; G230-V244 PolarHBondContact O-N 2.76Å
231	L	94.8	Very high	96.4	Very high	133 Å²	133	60.5 Å²	60.5	70%	0.696	35%	0.345	S	S	*	.			trans	-83.7	118.7	170.5	-176.6	68.3	0	0	0	109.9	V244 Y245	L231-V244 HydrophobicContact CD1-CB 4.35Å; L231-V244 HydrophobicContact CD1-CG1 4.22Å; L231-Y245 HydrophobicContact CD1-CD2 4.45Å
232	S	93.5	Very high	96.4	Very high	24 Å²	24	58.7 Å²	58.7	17%	0.168	34%	0.336	C	S	.	.			trans	-137.5	135.5	168.5	179.8	0	0	0	0	110.8	D234 Y245	S232-D234 WeakPolarHBondContact OG-CB 3.33Å; S232-D234 PolarHBondContact OG-N 3.21Å; S232-D234 VanDerWaalsContact OG-N 3.15Å; S232-D234 PolarHBondContact OG-OD2 2.99Å; S232-Y245 WeakPolarHBondContact O-CB 3.38Å
233	A	92.4	Very high	96.3	Very high	73 Å²	73	56 Å²	56	60%	0.603	32%	0.319	S	S	*	.			trans	-96.6	5.8	173.1	0	0	0	0	0	112.7	Y245	A233-Y245 HydrophobicContact CB-CD2 4.48Å
234	D	93.6	Very high	96.1	Very high	114 Å²	114	57 Å²	57	61%	0.61	33%	0.325	S	S	*	.	S	Bend	trans	-57.5	150.1	172.4	-70.8	-29.1	0	0	0	110.3	S232 Y236 Y246	S232-D234 WeakPolarHBondContact OG-CB 3.33Å; S232-D234 PolarHBondContact OG-N 3.21Å; S232-D234 VanDerWaalsContact OG-N 3.15Å; S232-D234 PolarHBondContact OG-OD2 2.99Å; D234-Y236 PolarHBondContact O-N 2.89Å; D234-Y246 WeakPolarHBondContact O-CE2 3.14Å; D234-Y246 PolarHBondContact O-OH 3.28Å
235	P	94.4	Very high	96	Very high	106 Å²	106	63.1 Å²	63.1	69%	0.688	35%	0.347	S	S	*	.	P	Polyproline II helix	trans	-49.7	131.6	178.3	-27.5	34.5	0	0	0	112.1	K237 Y246	P235-K237 PolarHBondContact O-N 2.86Å; P235-Y246 WeakPolarHBondContact CA-OH 3.4Å
236	Y	92.7	Very high	95.8	Very high	70 Å²	70	63.5 Å²	63.5	28%	0.275	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-48.9	131.6	-178.6	172	-105.6	0	0	0	111.6	D203 T205 D234 V238 Y246	D203-Y236 PolarHBondContact OD1-OH 3.34Å; D203-Y236 VanDerWaalsContact OD1-OH 3.14Å; T205-Y236 HydrophobicContact CG2-CE2 3.92Å; D234-Y236 PolarHBondContact O-N 2.89Å; Y236-V238 HydrophobicContact CE1-CG2 4.05Å; Y236-Y246 HydrophobicContact CD2-CD2 4.15Å; Y236-Y246 HydrophobicContact CD2-CG 4.12Å; Y236-Y246 PolarHBondContact N-OH 2.86Å
237	K	94.9	Very high	95.6	Very high	149 Å²	149	67.5 Å²	67.5	65%	0.648	37%	0.366	S	S	*	.			trans	-128.5	134.7	171.8	-69.3	176	-175.6	171.8	0	108.4	P235 M239 A240	P235-K237 PolarHBondContact O-N 2.86Å; K237-M239 PolarHBondContact O-N 2.86Å; K237-A240 HydrophobicContact CB-CB 4.43Å; K237-A240 WeakPolarHBondContact O-CB 3.48Å; K237-A240 PolarHBondContact O-N 3.21Å; K237-A240 VanDerWaalsContact O-N 3.1Å
238	V	96.1	Very high	95.4	Very high	84 Å²	84	70.4 Å²	70.4	51%	0.509	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	139	169.9	-171.4	0	0	0	0	108.5	D203 Y236 A240	D203-V238 HydrophobicContact CB-CG1 4.03Å; Y236-V238 HydrophobicContact CE1-CG2 4.05Å; V238-A240 VanDerWaalsContact C-N 3.29Å
239	M	97.3	Very high	95.3	Very high	80 Å²	80	73.4 Å²	73.4	39%	0.394	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.5	21.6	-172.9	-50.8	-62.8	-84.2	0	0	114.5	P185 Q186 V201 D203 K237 E241	P185-M239 HydrophobicContact CB-CB 4.46Å; P185-M239 HydrophobicContact CB-CE 3.32Å; P185-M239 HydrophobicContact CB-SD 4Å; P185-M239 HydrophobicContact CG-CE 4.1Å; P185-M239 HydrophobicContact CG-SD 4.13Å; Q186-M239 PolarHBondContact NE2-O 3Å; V201-M239 WeakPolarHBondContact O-CE 3.39Å; D203-M239 HydrophobicContact CB-SD 4.03Å; D203-M239 WeakPolarHBondContact OD2-CA 3.28Å; D203-M239 PolarHBondContact OD2-N 2.91Å; K237-M239 PolarHBondContact O-N 2.86Å; M239-E241 PolarHBondContact O-N 3.29Å
240	A	96.6	Very high	95.1	Very high	24 Å²	24	76.1 Å²	76.1	20%	0.198	41%	0.409	C	S	.	.			trans	-64.4	133.1	175.2	0	0	0	0	0	111.5	K237 V238 S243	K237-A240 HydrophobicContact CB-CB 4.43Å; K237-A240 WeakPolarHBondContact O-CB 3.48Å; K237-A240 PolarHBondContact O-N 3.21Å; K237-A240 VanDerWaalsContact O-N 3.1Å; V238-A240 VanDerWaalsContact C-N 3.29Å; A240-S243 PolarHBondContact O-OG 2.9Å
241	E	96.4	Very high	95.1	Very high	78 Å²	78	78.9 Å²	78.9	36%	0.364	42%	0.416	S	S	.	.	S	Bend	trans	-62.1	-45.5	173	-175.5	-176	141.8	0	0	111.3	P184 Q186 W190 S229 M239	P184-E241 HydrophobicContact CB-CG 4.05Å; P184-E241 HydrophobicContact CG-CG 4.39Å; Q186-E241 HydrophobicContact CG-CB 4.27Å; Q186-E241 VanDerWaalsContact OE1-CA 3.29Å; W190-E241 HydrophobicContact CH2-CG 4.01Å; W190-E241 WeakPolarHBondContact CZ2-OE2 3.28Å; S229-E241 WeakPolarHBondContact CB-O 3.4Å; S229-E241 PolarHBondContact OG-O 3.21Å; M239-E241 PolarHBondContact O-N 3.29Å
242	N	97.3	Very high	95.1	Very high	64 Å²	64	75.6 Å²	75.6	34%	0.342	40%	0.399	S	S	.	.			trans	-101.8	95.8	-176.2	-61.4	-39.5	0	0	0	109.6	G230	G230-N242 WeakPolarHBondContact CA-OD1 3.23Å; G230-N242 PolarHBondContact N-OD1 3.17Å; G230-N242 CarbonylContact O-C 3.54Å; G230-N242 VanDerWaalsContact O-CA 3.23Å; G230-N242 WeakPolarHBondContact O-CA 3.49Å; G230-N242 WeakPolarHBondContact O-CB 3.32Å
243	S	96.4	Very high	95.2	Very high	0 Å²	0	79 Å²	79	0%	0	41%	0.414	C	S	.	.			trans	-121.5	-3.6	-168.5	-71	0	0	0	0	113.6	S229 G230 A240 Y245 Y246	S229-S243 PolarHBondContact OG-N 2.8Å; G230-S243 PolarHBondContact O-N 3.31Å; A240-S243 PolarHBondContact O-OG 2.9Å; S243-Y245 VanDerWaalsContact C-N 3.25Å; S243-Y245 PolarHBondContact O-N 3.34Å; S243-Y245 VanDerWaalsContact O-N 3.13Å; S243-Y246 PolarHBondContact O-N 3.38Å
244	V	95.6	Very high	95.4	Very high	54 Å²	54	79.4 Å²	79.4	33%	0.327	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-56	-36	-171.5	174	0	0	0	0	113.4	A227 S229 G230 L231 Y246 L247	A227-V244 HydrophobicContact CB-CG2 4.26Å; S229-V244 WeakPolarHBondContact O-CG2 3.07Å; G230-V244 PolarHBondContact O-N 2.76Å; L231-V244 HydrophobicContact CD1-CB 4.35Å; L231-V244 HydrophobicContact CD1-CG1 4.22Å; V244-Y246 PolarHBondContact O-N 2.9Å; V244-Y246 VanDerWaalsContact O-N 3.13Å; V244-L247 PolarHBondContact O-N 2.78Å
245	Y	95.3	Very high	95.5	Very high	146 Å²	146	76.8 Å²	76.8	57%	0.573	38%	0.384	S	S	*	.	G	3₁₀ helix	trans	-61.8	-21.1	179.1	-174.4	-99.6	0	0	0	113.8	L231 S232 A233 S243	L231-Y245 HydrophobicContact CD1-CD2 4.45Å; S232-Y245 WeakPolarHBondContact O-CB 3.38Å; A233-Y245 HydrophobicContact CB-CD2 4.48Å; S243-Y245 VanDerWaalsContact C-N 3.25Å; S243-Y245 PolarHBondContact O-N 3.34Å; S243-Y245 VanDerWaalsContact O-N 3.13Å
246	Y	94.7	Very high	95.6	Very high	53 Å²	53	74.3 Å²	74.3	21%	0.208	36%	0.359	C	S	.	.	G	3₁₀ helix	trans	-103.7	5.7	-173.6	-65.7	-73.7	0	0	0	114.4	D234 P235 Y236 S243 V244	D234-Y246 WeakPolarHBondContact O-CE2 3.14Å; D234-Y246 PolarHBondContact O-OH 3.28Å; P235-Y246 WeakPolarHBondContact CA-OH 3.4Å; Y236-Y246 HydrophobicContact CD2-CD2 4.15Å; Y236-Y246 HydrophobicContact CD2-CG 4.12Å; Y236-Y246 PolarHBondContact N-OH 2.86Å; S243-Y246 PolarHBondContact O-N 3.38Å; V244-Y246 PolarHBondContact O-N 2.9Å; V244-Y246 VanDerWaalsContact O-N 3.13Å
247	L	93.9	Very high	95.9	Very high	90 Å²	90	74.7 Å²	74.7	47%	0.471	37%	0.367	S	S	.	.			trans	-89.6	0	-177.6	-60.6	-177.9	0	0	0	113.1	I204 V208 V225 A227 V244	I204-L247 HydrophobicContact CG2-CD1 4.28Å; I204-L247 HydrophobicContact CG2-CD2 3.94Å; V208-L247 HydrophobicContact CB-CD2 3.84Å; V208-L247 HydrophobicContact CG1-CD2 4.09Å; V208-L247 HydrophobicContact CG2-CD2 3.8Å; V225-L247 HydrophobicContact CG1-CD1 3.89Å; A227-L247 HydrophobicContact CB-CD1 3.67Å; V244-L247 PolarHBondContact O-N 2.78Å

Retrieved 247 of 247 residues in 341.2 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).