A0A3Q0KHD8_SCHMA Loading...

Venom allergen-like (VAL) 15 protein

AlphaFold DB , UniProt , Accession A0A3Q0KHD8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 248 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.9	Very low	43.1	Very low	243 Å²	243	140.6 Å²	140.6	100%	1.197	81%	0.809	S	S	*	*				0	139	0	-72.9	165.4	167.9	0	0	108.4
2	T	39.5	Very low	43.9	Very low	129 Å²	129	142.9 Å²	142.9	79%	0.791	82%	0.815	S	S	*	*			trans	-23.4	140.4	173.2	43.1	0	0	0	0	118.1
3	V	34.7	Very low	44.6	Very low	126 Å²	126	141 Å²	141	76%	0.764	81%	0.808	S	S	*	*			cis	73.1	120.4	33.3	-175.9	0	0	0	0	112.1
4	K	36.2	Very low	44.9	Very low	192 Å²	192	140.6 Å²	140.6	84%	0.835	81%	0.81	S	S	*	*			cis	-136	164.1	5	-103.3	155	-178	178.3	0	108.7
5	C	35.1	Very low	45.5	Very low	113 Å²	113	140.9 Å²	140.9	76%	0.764	81%	0.806	S	S	*	*				76.7	135.9	54.6	-146.4	0	0	0	0	116.8
6	Q	41.2	Very low	45.7	Very low	171 Å²	171	139.5 Å²	139.5	80%	0.799	81%	0.806	S	S	*	*			trans	85.9	99.1	166.1	-68.9	-179	-44.3	0	0	122.3
7	S	41.9	Very low	46	Very low	103 Å²	103	139.2 Å²	139.2	72%	0.72	80%	0.8	S	S	*	*				29.9	127.3	124.9	59.5	0	0	0	0	122.4
8	S	47.6	Very low	46.4	Very low	106 Å²	106	140.5 Å²	140.5	74%	0.741	80%	0.803	S	S	*	*				-178.6	140.8	129.3	-83.4	0	0	0	0	112.7
9	L	51.4	Low	46.7	Very low	158 Å²	158	139.2 Å²	139.2	83%	0.827	80%	0.797	S	S	*	*			trans	44.7	136.5	135.3	-59.8	164.7	0	0	0	119.6
10	T	53.5	Low	46.6	Very low	114 Å²	114	138.4 Å²	138.4	70%	0.699	80%	0.799	S	S	*	*			cis	-155.2	151.9	14.1	24.6	0	0	0	0	110.7
11	A	46.4	Very low	46.7	Very low	92 Å²	92	136.3 Å²	136.3	76%	0.76	79%	0.791	S	S	*	*			trans	-83.2	127.5	163.8	0	0	0	0	0	110.4
12	L	52.5	Low	46.6	Very low	168 Å²	168	127.3 Å²	127.3	88%	0.88	76%	0.761	S	S	*	*			trans	-111.4	79.9	177.8	-101.5	158.7	0	0	0	110.2
13	T	52.5	Low	47.2	Very low	118 Å²	118	127.8 Å²	127.8	72%	0.724	76%	0.763	S	S	*	*			trans	-99.3	111.2	175	48.5	0	0	0	0	111.2
14	T	49.2	Very low	48.2	Very low	136 Å²	136	126.9 Å²	126.9	83%	0.834	75%	0.751	S	S	*	*			trans	27.3	105.2	147.9	39.2	0	0	0	0	118.7
15	L	53.7	Low	49.5	Very low	144 Å²	144	121.5 Å²	121.5	75%	0.754	74%	0.742	S	S	*	*			trans	-126.2	83.2	152	-165.6	74.3	0	0	0	110.2	L17	L15-L17 HydrophobicContact CD2-CD1 4.12Å; L15-L17 HydrophobicContact CD2-CG 4.06Å; L15-L17 HydrophobicContact CG-CG 4.17Å; L15-L17 PolarHBondContact O-N 3.2Å; L15-L17 VanDerWaalsContact O-N 3.11Å
16	C	48.6	Very low	51.5	Low	119 Å²	119	119.9 Å²	119.9	80%	0.804	74%	0.736	S	S	*	*			trans	-77.3	92.2	169.5	-163.8	0	0	0	0	108.3	L18	C16-L18 PolarHBondContact O-N 3.44Å
17	L	51	Low	53.9	Low	135 Å²	135	112.2 Å²	112.2	71%	0.707	70%	0.701	S	S	*	*			trans	-68.4	94.9	175.5	-84.8	163.4	0	0	0	109.8	L15 V19	L15-L17 HydrophobicContact CD2-CD1 4.12Å; L15-L17 HydrophobicContact CD2-CG 4.06Å; L15-L17 HydrophobicContact CG-CG 4.17Å; L15-L17 PolarHBondContact O-N 3.2Å; L15-L17 VanDerWaalsContact O-N 3.11Å; L17-V19 VanDerWaalsContact C-N 3.26Å; L17-V19 PolarHBondContact O-N 3.38Å
18	L	52.5	Low	56.3	Low	162 Å²	162	111.7 Å²	111.7	85%	0.848	69%	0.69	S	S	*	*			trans	-59.6	89.3	163.7	-84.3	157.2	0	0	0	109.2	C16 C20	C16-L18 PolarHBondContact O-N 3.44Å; L18-C20 PolarHBondContact O-N 3.08Å
19	V	52.6	Low	58.6	Low	116 Å²	116	110.6 Å²	110.6	70%	0.703	68%	0.676	S	S	*	*			trans	-67.1	90.5	166.3	178	0	0	0	0	107.2	L17 C21	L17-V19 VanDerWaalsContact C-N 3.26Å; L17-V19 PolarHBondContact O-N 3.38Å; V19-C21 HydrophobicContact CG1-CB 4.3Å; V19-C21 PolarHBondContact O-N 2.79Å
20	C	45.5	Very low	60.8	Low	123 Å²	123	106.3 Å²	106.3	83%	0.831	66%	0.663	S	S	*	*			trans	-75.4	53.6	176	-160.8	0	0	0	0	110.9	L18 G22	L18-C20 PolarHBondContact O-N 3.08Å; C20-G22 PolarHBondContact O-N 3.24Å; C20-G22 VanDerWaalsContact O-N 3.12Å
21	C	48.5	Very low	62.8	Low	94 Å²	94	102 Å²	102	64%	0.635	64%	0.637	S	S	*	*			trans	-61	111.5	159.6	-84.2	0	0	0	0	106.5	V19 V23	V19-C21 HydrophobicContact CG1-CB 4.3Å; V19-C21 PolarHBondContact O-N 2.79Å; C21-V23 WeakPolarHBondContact O-CG2 3.46Å; C21-V23 PolarHBondContact O-N 3.48Å
22	G	44.2	Very low	65.3	Low	54 Å²	54	99.5 Å²	99.5	56%	0.557	61%	0.608	S	S	*	*			trans	-50.8	102.9	-174.9	0	0	0	0	0	111.6	C20 H24	C20-G22 PolarHBondContact O-N 3.24Å; C20-G22 VanDerWaalsContact O-N 3.12Å; G22-H24 PolarHBondContact O-N 3.27Å; G22-H24 PolarHBondContact O-ND1 3.32Å
23	V	51.8	Low	67.5	Low	139 Å²	139	97 Å²	97	84%	0.842	59%	0.591	S	S	*	*			trans	-76.4	84.3	174.3	-174.9	0	0	0	0	106.4	C21 A25	C21-V23 WeakPolarHBondContact O-CG2 3.46Å; C21-V23 PolarHBondContact O-N 3.48Å; V23-A25 PolarHBondContact O-N 3.1Å
24	H	57.2	Low	69.7	Low	108 Å²	108	95.3 Å²	95.3	50%	0.5	57%	0.574	S	S	.	*			trans	-45.3	121.2	163.8	-64.2	83.3	0	0	0	107.7	G22 A26 D78	G22-H24 PolarHBondContact O-N 3.27Å; G22-H24 PolarHBondContact O-ND1 3.32Å; H24-A26 PolarHBondContact O-N 3.06Å; H24-D78 WeakPolarHBondContact CB-OD2 3.23Å; H24-D78 IonicContact CD2-OD2 3.16Å; H24-D78 PolarHBondContact CD2-OD2 2.95Å; H24-D78 IonicContact CG-OD2 3.6Å
25	A	61.7	Low	72	Confident	78 Å²	78	88.8 Å²	88.8	65%	0.645	53%	0.534	S	S	*	.			trans	-66.3	100.7	-172.5	0	0	0	0	0	109	V23 M27	V23-A25 PolarHBondContact O-N 3.1Å; A25-M27 PolarHBondContact O-N 3Å
26	A	77.2	Confident	74.2	Confident	79 Å²	79	83.9 Å²	83.9	65%	0.653	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-59.2	133.1	-175	0	0	0	0	0	110.6	H24 D28	H24-A26 PolarHBondContact O-N 3.06Å; A26-D28 PolarHBondContact O-N 3.09Å
27	M	91.9	Very high	76.5	Confident	11 Å²	11	84.9 Å²	84.9	5%	0.054	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-55.1	131.4	176.4	-179.6	-171.4	60.8	0	0	110.8	A25 T31 R32 L35 W65 C150 V152	A25-M27 PolarHBondContact O-N 3Å; M27-T31 HydrophobicContact CG-CG2 3.76Å; M27-T31 HydrophobicContact SD-CG2 3.63Å; M27-R32 HydrophobicContact CE-CB 3.75Å; M27-R32 HydrophobicContact CE-CG 4.21Å; M27-R32 PolarHBondContact O-NH2 3.48Å; M27-L35 HydrophobicContact SD-CD1 3.88Å; M27-W65 HydrophobicContact CE-CH2 3.79Å; M27-W65 HydrophobicContact CE-CZ2 3.59Å; M27-C150 WeakPolarHBondContact CE-O 3Å; M27-V152 HydrophobicContact CG-CB 4.4Å; M27-V152 HydrophobicContact CG-CG2 4.4Å; M27-V152 HydrophobicContact SD-CB 4.39Å; M27-V152 HydrophobicContact SD-CG2 3.8Å
28	D	93.4	Very high	78.8	Confident	92 Å²	92	80.3 Å²	80.3	49%	0.492	48%	0.475	S	S	.	.	P	Polyproline II helix	trans	-64.7	158.2	-179.5	70.6	51.1	0	0	0	112.7	A26 A30 T31 R32	A26-D28 PolarHBondContact O-N 3.09Å; D28-A30 VanDerWaalsContact C-N 3.3Å; D28-A30 PolarHBondContact O-N 3.06Å; D28-A30 PolarHBondContact OD1-N 3.4Å; D28-A30 VanDerWaalsContact OD1-N 3.12Å; D28-T31 PolarHBondContact O-N 3.49Å; D28-T31 VanDerWaalsContact OD1-CB 3.29Å; D28-T31 WeakPolarHBondContact OD1-CB 3.26Å; D28-T31 PolarHBondContact OD1-N 3.15Å; D28-T31 PolarHBondContact OD1-OG1 3.09Å; D28-T31 PolarHBondContact OD2-OG1 3.22Å; D28-R32 PolarHBondContact O-N 3.28Å
29	N	95.2	Very high	81	Confident	83 Å²	83	72.6 Å²	72.6	44%	0.444	43%	0.434	S	S	.	.	H	α-helix	trans	-68.8	-27.7	-175.8	-167.1	62.4	0	0	0	113.3	T31 R32 E33	N29-T31 VanDerWaalsContact C-N 3.34Å; N29-R32 WeakPolarHBondContact O-CB 3.44Å; N29-R32 PolarHBondContact O-N 3.46Å; N29-R32 PolarHBondContact OD1-NH1 2.95Å; N29-E33 PolarHBondContact ND2-OE1 3.19Å; N29-E33 WeakPolarHBondContact O-CB 3.34Å; N29-E33 WeakPolarHBondContact O-CG 3.43Å; N29-E33 PolarHBondContact O-N 3.38Å
30	A	97	Very high	83.2	Confident	67 Å²	67	68.3 Å²	68.3	55%	0.554	41%	0.408	S	S	*	.	H	α-helix	trans	-67.8	-37	177.1	0	0	0	0	0	111.4	D28 K34	D28-A30 VanDerWaalsContact C-N 3.3Å; D28-A30 PolarHBondContact O-N 3.06Å; D28-A30 PolarHBondContact OD1-N 3.4Å; D28-A30 VanDerWaalsContact OD1-N 3.12Å; A30-K34 WeakPolarHBondContact O-CB 3.24Å; A30-K34 PolarHBondContact O-N 3.35Å
31	T	97.2	Very high	85.7	Confident	24 Å²	24	66.2 Å²	66.2	15%	0.147	39%	0.388	C	S	.	.	H	α-helix	trans	-72.3	-39.6	175.8	-56.8	0	0	0	0	110.9	M27 D28 N29 K34 L35 V108 V152	M27-T31 HydrophobicContact CG-CG2 3.76Å; M27-T31 HydrophobicContact SD-CG2 3.63Å; D28-T31 PolarHBondContact O-N 3.49Å; D28-T31 VanDerWaalsContact OD1-CB 3.29Å; D28-T31 WeakPolarHBondContact OD1-CB 3.26Å; D28-T31 PolarHBondContact OD1-N 3.15Å; D28-T31 PolarHBondContact OD1-OG1 3.09Å; D28-T31 PolarHBondContact OD2-OG1 3.22Å; N29-T31 VanDerWaalsContact C-N 3.34Å; T31-K34 PolarHBondContact O-N 3.33Å; T31-L35 HydrophobicContact CG2-CD1 4.18Å; T31-L35 WeakPolarHBondContact O-CB 3.27Å; T31-L35 WeakPolarHBondContact O-CG 3.4Å; T31-L35 PolarHBondContact O-N 2.86Å; T31-V108 HydrophobicContact CG2-CG1 3.95Å; T31-V152 HydrophobicContact CG2-CG2 4.11Å
32	R	97.9	Very high	88.1	Confident	40 Å²	40	61.9 Å²	61.9	15%	0.151	36%	0.359	C	S	.	.	H	α-helix	trans	-53.2	-57.9	169.8	-173.5	176.1	-63.4	104.5	9	111.8	M27 D28 N29 K34 L35 L36 W65 E70	M27-R32 HydrophobicContact CE-CB 3.75Å; M27-R32 HydrophobicContact CE-CG 4.21Å; M27-R32 PolarHBondContact O-NH2 3.48Å; D28-R32 PolarHBondContact O-N 3.28Å; N29-R32 WeakPolarHBondContact O-CB 3.44Å; N29-R32 PolarHBondContact O-N 3.46Å; N29-R32 PolarHBondContact OD1-NH1 2.95Å; R32-K34 VanDerWaalsContact C-N 3.33Å; R32-K34 PolarHBondContact O-N 3.28Å; R32-L35 PolarHBondContact O-N 3.43Å; R32-L36 PolarHBondContact O-N 3.19Å; R32-W65 HydrophobicContact CB-CZ2 4.47Å; R32-W65 HydrophobicContact CG-CD2 3.62Å; R32-W65 VanDerWaalsContact CG-CE2 3.46Å; R32-W65 HydrophobicContact CG-CE3 3.94Å; R32-W65 HydrophobicContact CG-CG 4.15Å; R32-W65 HydrophobicContact CG-CH2 3.9Å; R32-W65 HydrophobicContact CG-CZ2 3.63Å; R32-W65 HydrophobicContact CG-CZ3 4.06Å; R32-E70 IonicContact CZ-OE1 3.66Å; R32-E70 IonicContact CZ-OE2 3.44Å; R32-E70 IonicContact NE-OE1 3.79Å; R32-E70 IonicContact NE-OE2 2.79Å; R32-E70 PolarHBondContact NE-OE2 3.19Å; R32-E70 IonicContact NH2-OE1 2.7Å; R32-E70 PolarHBondContact NH2-OE1 3.31Å; R32-E70 IonicContact NH2-OE2 3.25Å; R32-E70 PolarHBondContact NH2-OE2 2.88Å
33	E	98	Very high	90.7	Very high	114 Å²	114	59.4 Å²	59.4	53%	0.533	33%	0.333	S	S	.	.	H	α-helix	trans	-61.8	-40.7	-179.8	-73.3	176.1	-171.7	0	0	112.1	N29 L36 K37	N29-E33 PolarHBondContact ND2-OE1 3.19Å; N29-E33 WeakPolarHBondContact O-CB 3.34Å; N29-E33 WeakPolarHBondContact O-CG 3.43Å; N29-E33 PolarHBondContact O-N 3.38Å; E33-L36 PolarHBondContact O-N 3.28Å; E33-K37 WeakPolarHBondContact O-CB 3.04Å; E33-K37 PolarHBondContact O-N 3.04Å
34	K	98.5	Very high	92.9	Very high	83 Å²	83	56.6 Å²	56.6	36%	0.361	31%	0.313	S	S	.	.	H	α-helix	trans	-61.7	-48.5	176.9	-178.7	-177.3	-69.6	-176.9	0	111.9	A30 T31 R32 K37 L38 V108 E109	A30-K34 WeakPolarHBondContact O-CB 3.24Å; A30-K34 PolarHBondContact O-N 3.35Å; T31-K34 PolarHBondContact O-N 3.33Å; R32-K34 VanDerWaalsContact C-N 3.33Å; R32-K34 PolarHBondContact O-N 3.28Å; K34-K37 PolarHBondContact O-N 3.28Å; K34-L38 HydrophobicContact CG-CD1 4.1Å; K34-L38 WeakPolarHBondContact O-CB 3.45Å; K34-L38 VanDerWaalsContact O-CG 3.27Å; K34-L38 WeakPolarHBondContact O-CG 3.36Å; K34-L38 PolarHBondContact O-N 3.41Å; K34-V108 HydrophobicContact CD-CG2 3.65Å; K34-E109 HydrophobicContact CD-CG 4.33Å; K34-E109 VanDerWaalsContact CD-OE1 3.24Å; K34-E109 WeakPolarHBondContact CD-OE1 3.45Å; K34-E109 WeakPolarHBondContact CE-OE1 3.17Å; K34-E109 IonicContact NZ-OE1 2.79Å; K34-E109 PolarHBondContact NZ-OE1 3.24Å
35	L	98.7	Very high	94.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-62.8	-43.3	178.2	-77.1	169.7	0	0	0	111.1	M27 T31 R32 K37 L38 H39 W65 V108 C150 V152	M27-L35 HydrophobicContact SD-CD1 3.88Å; T31-L35 HydrophobicContact CG2-CD1 4.18Å; T31-L35 WeakPolarHBondContact O-CB 3.27Å; T31-L35 WeakPolarHBondContact O-CG 3.4Å; T31-L35 PolarHBondContact O-N 2.86Å; R32-L35 PolarHBondContact O-N 3.43Å; L35-K37 PolarHBondContact O-N 2.97Å; L35-L38 PolarHBondContact O-N 2.9Å; L35-H39 PolarHBondContact O-N 3.45Å; L35-H39 VanDerWaalsContact O-N 3.16Å; L35-H39 PolarHBondContact O-ND1 3.31Å; L35-W65 HydrophobicContact CB-CZ3 4.39Å; L35-V108 HydrophobicContact CD2-CB 4.15Å; L35-C150 HydrophobicContact CD1-CB 3.65Å; L35-V152 HydrophobicContact CD1-CG2 4.02Å
36	L	98.7	Very high	96.4	Very high	40 Å²	40	49.1 Å²	49.1	21%	0.209	27%	0.267	C	S	.	.	H	α-helix	trans	-60.2	-46.1	175	-174.6	60	0	0	0	112.2	R32 E33 H39 N40 L63 W65 I148	R32-L36 PolarHBondContact O-N 3.19Å; E33-L36 PolarHBondContact O-N 3.28Å; L36-H39 PolarHBondContact O-N 3.15Å; L36-N40 WeakPolarHBondContact O-CB 2.86Å; L36-N40 PolarHBondContact O-N 3.3Å; L36-L63 HydrophobicContact CD1-CB 4.21Å; L36-L63 WeakPolarHBondContact CD1-O 3.42Å; L36-W65 HydrophobicContact CB-CE3 4.02Å; L36-W65 HydrophobicContact CB-CZ3 4.25Å; L36-W65 HydrophobicContact CD1-CE3 4.3Å; L36-W65 HydrophobicContact CD2-CB 4.45Å; L36-I148 HydrophobicContact CD1-CG2 3.63Å
37	K	98.7	Very high	97.3	Very high	141 Å²	141	48.1 Å²	48.1	61%	0.613	25%	0.25	S	S	*	.	H	α-helix	trans	-62.2	-42.7	178.3	-176.9	173.2	-178.2	174.5	0	112.1	E33 K34 L35 N40 N41	E33-K37 WeakPolarHBondContact O-CB 3.04Å; E33-K37 PolarHBondContact O-N 3.04Å; K34-K37 PolarHBondContact O-N 3.28Å; L35-K37 PolarHBondContact O-N 2.97Å; K37-N40 PolarHBondContact O-N 3.24Å; K37-N41 VanDerWaalsContact O-CB 3.27Å; K37-N41 WeakPolarHBondContact O-CB 3.4Å; K37-N41 PolarHBondContact O-N 3.13Å; K37-N41 PolarHBondContact O-OD1 3.46Å
38	L	98.8	Very high	97.4	Very high	38 Å²	38	53.8 Å²	53.8	20%	0.199	28%	0.276	C	S	.	.	H	α-helix	trans	-59.5	-47.3	176.5	-76.1	169.8	0	0	0	111.8	K34 L35 N41 A42 F112	K34-L38 HydrophobicContact CG-CD1 4.1Å; K34-L38 WeakPolarHBondContact O-CB 3.45Å; K34-L38 VanDerWaalsContact O-CG 3.27Å; K34-L38 WeakPolarHBondContact O-CG 3.36Å; K34-L38 PolarHBondContact O-N 3.41Å; L35-L38 PolarHBondContact O-N 2.9Å; L38-N41 PolarHBondContact O-N 2.86Å; L38-A42 PolarHBondContact O-N 3.25Å; L38-A42 VanDerWaalsContact O-N 3.07Å; L38-F112 HydrophobicContact CB-CD1 3.79Å; L38-F112 HydrophobicContact CB-CD2 3.98Å; L38-F112 HydrophobicContact CB-CE1 3.77Å; L38-F112 HydrophobicContact CB-CE2 3.97Å; L38-F112 HydrophobicContact CB-CG 3.9Å; L38-F112 HydrophobicContact CB-CZ 3.87Å; L38-F112 HydrophobicContact CD1-CB 4.04Å; L38-F112 HydrophobicContact CD1-CD1 4.16Å; L38-F112 HydrophobicContact CD1-CG 4.03Å; L38-F112 HydrophobicContact CD2-CD1 3.95Å; L38-F112 HydrophobicContact CD2-CE1 4.19Å; L38-F112 HydrophobicContact CG-CD1 4.19Å; L38-F112 HydrophobicContact CG-CE1 4.49Å; L38-F112 HydrophobicContact CG-CG 4.41Å; L38-F112 WeakPolarHBondContact O-CZ 3.31Å
39	H	98.8	Very high	97.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-47	177.1	-74.2	82.9	0	0	0	112.5	L35 L36 N41 A42 R43 L63 F112 I148 Y168	L35-H39 PolarHBondContact O-N 3.45Å; L35-H39 VanDerWaalsContact O-N 3.16Å; L35-H39 PolarHBondContact O-ND1 3.31Å; L36-H39 PolarHBondContact O-N 3.15Å; H39-N41 PolarHBondContact O-N 3.4Å; H39-A42 PolarHBondContact O-N 2.95Å; H39-R43 WeakPolarHBondContact O-CG 2.94Å; H39-R43 PolarHBondContact O-N 3.5Å; H39-L63 HydrophobicContact CB-CD1 4.04Å; H39-F112 HydrophobicContact CB-CE2 4.48Å; H39-F112 AromaticContact CD2-CE2 3.79Å; H39-F112 AromaticContact CE1-CD2 3.63Å; H39-F112 AromaticContact CE1-CE2 3.65Å; H39-F112 AromaticContact CG-CE2 3.8Å; H39-F112 AromaticContact ND1-CD2 3.98Å; H39-F112 AromaticContact ND1-CE2 3.71Å; H39-F112 AromaticContact NE2-CD2 3.92Å; H39-F112 AromaticContact NE2-CE2 3.67Å; H39-I148 HydrophobicContact CB-CD1 4.41Å; H39-I148 VanDerWaalsContact CE1-CD1 3.46Å; H39-I148 WeakPolarHBondContact CE1-CD1 3.48Å; H39-I148 WeakPolarHBondContact ND1-CD1 2.98Å; H39-Y168 AromaticContact CD2-CE1 3.8Å; H39-Y168 AromaticContact NE2-CE1 3.79Å; H39-Y168 AromaticContact NE2-CZ 3.74Å; H39-Y168 PolarHBondContact NE2-OH 3.1Å
40	N	98.8	Very high	97.1	Very high	26 Å²	26	53 Å²	53	14%	0.139	28%	0.277	C	S	.	.	H	α-helix	trans	-67.3	-37	-179.3	-75	-22.5	0	0	0	112	L36 K37 A42 R43 I44 P62 L63	L36-N40 WeakPolarHBondContact O-CB 2.86Å; L36-N40 PolarHBondContact O-N 3.3Å; K37-N40 PolarHBondContact O-N 3.24Å; N40-A42 PolarHBondContact O-N 3.44Å; N40-R43 PolarHBondContact O-N 2.77Å; N40-I44 WeakPolarHBondContact O-CB 3.23Å; N40-I44 VanDerWaalsContact O-CG1 3.25Å; N40-I44 WeakPolarHBondContact O-CG1 3.48Å; N40-I44 PolarHBondContact O-N 3.19Å; N40-P62 WeakPolarHBondContact OD1-CA 3.28Å; N40-L63 PolarHBondContact ND2-O 3.47Å; N40-L63 VanDerWaalsContact ND2-O 3.11Å; N40-L63 PolarHBondContact OD1-N 3.48Å
41	N	98.6	Very high	96.7	Very high	79 Å²	79	50.5 Å²	50.5	42%	0.422	25%	0.253	S	S	.	.	H	α-helix	trans	-60.1	-43.7	171.1	-74.2	-3.9	0	0	0	112.1	K37 L38 H39 R43 I44 S45	K37-N41 VanDerWaalsContact O-CB 3.27Å; K37-N41 WeakPolarHBondContact O-CB 3.4Å; K37-N41 PolarHBondContact O-N 3.13Å; K37-N41 PolarHBondContact O-OD1 3.46Å; L38-N41 PolarHBondContact O-N 2.86Å; H39-N41 PolarHBondContact O-N 3.4Å; N41-R43 PolarHBondContact O-N 3.19Å; N41-I44 WeakPolarHBondContact O-CB 3.48Å; N41-I44 PolarHBondContact O-N 3.31Å; N41-S45 PolarHBondContact O-N 3.48Å; N41-S45 PolarHBondContact O-OG 3.2Å
42	A	98.5	Very high	96.1	Very high	3 Å²	3	54 Å²	54	3%	0.025	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-38.5	177.5	0	0	0	0	0	112.9	L38 H39 N40 S45 V46 F112 L116 I140	L38-A42 PolarHBondContact O-N 3.25Å; L38-A42 VanDerWaalsContact O-N 3.07Å; H39-A42 PolarHBondContact O-N 2.95Å; N40-A42 PolarHBondContact O-N 3.44Å; A42-S45 PolarHBondContact O-N 2.88Å; A42-V46 PolarHBondContact O-N 3.03Å; A42-F112 HydrophobicContact CB-CZ 3.91Å; A42-L116 HydrophobicContact CB-CD1 3.85Å; A42-L116 HydrophobicContact CB-CD2 4.24Å; A42-I140 HydrophobicContact CB-CG2 3.81Å
43	R	98.4	Very high	95.4	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-64.1	-43.6	175.1	-68.6	166.9	78.7	85.5	-7.8	111.2	H39 N40 N41 V46 M47 I60 K61 I140 W142 T145	H39-R43 WeakPolarHBondContact O-CG 2.94Å; H39-R43 PolarHBondContact O-N 3.5Å; N40-R43 PolarHBondContact O-N 2.77Å; N41-R43 PolarHBondContact O-N 3.19Å; R43-V46 PolarHBondContact O-N 3.48Å; R43-M47 PolarHBondContact O-N 3.18Å; R43-I60 HydrophobicContact CB-CB 4.5Å; R43-I60 HydrophobicContact CB-CG2 3.79Å; R43-I60 HydrophobicContact CG-CG2 3.86Å; R43-I60 VanDerWaalsContact NE-CG2 3.28Å; R43-I60 VanDerWaalsContact NH2-CG2 3.31Å; R43-K61 VanDerWaalsContact CZ-O 3.27Å; R43-K61 PolarHBondContact NE-O 3.29Å; R43-K61 PolarHBondContact NH2-O 2.96Å; R43-I140 WeakPolarHBondContact CD-O 3.38Å; R43-I140 WeakPolarHBondContact CG-O 3.36Å; R43-I140 PolarHBondContact NH1-O 2.9Å; R43-W142 PolarHBondContact NH1-O 3.41Å; R43-W142 PolarHBondContact NH2-O 3.22Å; R43-T145 PolarHBondContact NH2-O 3.21Å
44	I	98	Very high	95	Very high	81 Å²	81	49.9 Å²	49.9	42%	0.415	27%	0.265	S	S	.	.	H	α-helix	trans	-59.1	-48	171.2	-70.1	166.6	0	0	0	110.5	N40 N41 V46 M47 H48	N40-I44 WeakPolarHBondContact O-CB 3.23Å; N40-I44 VanDerWaalsContact O-CG1 3.25Å; N40-I44 WeakPolarHBondContact O-CG1 3.48Å; N40-I44 PolarHBondContact O-N 3.19Å; N41-I44 WeakPolarHBondContact O-CB 3.48Å; N41-I44 PolarHBondContact O-N 3.31Å; I44-V46 VanDerWaalsContact C-N 3.25Å; I44-V46 PolarHBondContact O-N 3.3Å; I44-M47 WeakPolarHBondContact O-CA 3.47Å; I44-M47 WeakPolarHBondContact O-CB 3.43Å; I44-M47 PolarHBondContact O-N 2.87Å; I44-H48 PolarHBondContact O-CD2 3.03Å; I44-H48 VanDerWaalsContact O-CD2 3.26Å; I44-H48 PolarHBondContact O-N 2.92Å
45	S	97.4	Very high	94.5	Very high	26 Å²	26	46 Å²	46	18%	0.182	25%	0.248	C	C	.	.	H	α-helix	trans	-57.9	-34	180	-73.1	0	0	0	0	113.8	N41 A42 G49 Q50	N41-S45 PolarHBondContact O-N 3.48Å; N41-S45 PolarHBondContact O-OG 3.2Å; A42-S45 PolarHBondContact O-N 2.88Å; S45-G49 PolarHBondContact O-N 3.14Å; S45-G49 VanDerWaalsContact O-N 3.12Å; S45-Q50 VanDerWaalsContact CA-OE1 3.3Å; S45-Q50 WeakPolarHBondContact O-CB 3.42Å; S45-Q50 PolarHBondContact O-N 3.25Å; S45-Q50 PolarHBondContact OG-OE1 3.13Å
46	V	95.1	Very high	94.2	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.012	26%	0.264	C	S	.	.	H	α-helix	trans	-70.2	-41.4	171.9	178.6	0	0	0	0	112	A42 R43 I44 H48 G49 L51 I56 A57 I60 V141 Y180	A42-V46 PolarHBondContact O-N 3.03Å; R43-V46 PolarHBondContact O-N 3.48Å; I44-V46 VanDerWaalsContact C-N 3.25Å; I44-V46 PolarHBondContact O-N 3.3Å; V46-H48 PolarHBondContact O-N 3.34Å; V46-G49 PolarHBondContact O-N 3.14Å; V46-L51 HydrophobicContact CG2-CD1 3.53Å; V46-L51 HydrophobicContact CG2-CG 4.09Å; V46-I56 WeakPolarHBondContact O-CA 3.28Å; V46-A57 HydrophobicContact CG1-CB 3.69Å; V46-A57 PolarHBondContact O-N 2.8Å; V46-I60 HydrophobicContact CB-CD1 4.26Å; V46-I60 HydrophobicContact CG1-CD1 4.12Å; V46-V141 HydrophobicContact CG2-CB 4.37Å; V46-V141 HydrophobicContact CG2-CG1 3.78Å; V46-Y180 HydrophobicContact CG1-CD1 4.18Å; V46-Y180 HydrophobicContact CG1-CD2 4.28Å; V46-Y180 HydrophobicContact CG1-CE1 3.59Å; V46-Y180 HydrophobicContact CG1-CE2 3.67Å; V46-Y180 WeakPolarHBondContact CG1-OH 3.5Å
47	M	95.3	Very high	94	Very high	59 Å²	59	47.2 Å²	47.2	29%	0.291	26%	0.255	S	S	.	.	H	α-helix	trans	-64.3	-24.4	176.2	-68.5	175.2	61.3	0	0	113.6	R43 I44 I56 A57 I60	R43-M47 PolarHBondContact O-N 3.18Å; I44-M47 WeakPolarHBondContact O-CA 3.47Å; I44-M47 WeakPolarHBondContact O-CB 3.43Å; I44-M47 PolarHBondContact O-N 2.87Å; M47-I56 WeakPolarHBondContact O-CG2 3.43Å; M47-A57 HydrophobicContact CG-CB 4.1Å; M47-I60 HydrophobicContact CG-CB 4.11Å; M47-I60 HydrophobicContact CG-CG1 4.25Å; M47-I60 HydrophobicContact SD-CB 3.9Å; M47-I60 PolarHBondContact SD-N 3.09Å; M47-I60 VanDerWaalsContact SD-N 3.35Å
48	H	93.8	Very high	93.7	Very high	129 Å²	129	47.5 Å²	47.5	60%	0.597	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	3.7	176.4	-69.5	-83.4	0	0	0	114.2	I44 V46 Q50	I44-H48 PolarHBondContact O-CD2 3.03Å; I44-H48 VanDerWaalsContact O-CD2 3.26Å; I44-H48 PolarHBondContact O-N 2.92Å; V46-H48 PolarHBondContact O-N 3.34Å; H48-Q50 VanDerWaalsContact C-N 3.33Å; H48-Q50 HydrophobicContact CB-CG 4.03Å; H48-Q50 PolarHBondContact O-N 3.14Å
49	G	89.6	Confident	93.4	Very high	36 Å²	36	48.4 Å²	48.4	37%	0.371	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	25.8	177.6	0	0	0	0	0	115	S45 V46	S45-G49 PolarHBondContact O-N 3.14Å; S45-G49 VanDerWaalsContact O-N 3.12Å; V46-G49 PolarHBondContact O-N 3.14Å
50	Q	92.5	Very high	93.2	Very high	124 Å²	124	48.7 Å²	48.7	58%	0.579	27%	0.267	S	S	*	.			trans	-85	-10.8	-175.9	-62.5	174.9	-26.4	0	0	113.7	S45 H48	S45-Q50 VanDerWaalsContact CA-OE1 3.3Å; S45-Q50 WeakPolarHBondContact O-CB 3.42Å; S45-Q50 PolarHBondContact O-N 3.25Å; S45-Q50 PolarHBondContact OG-OE1 3.13Å; H48-Q50 VanDerWaalsContact C-N 3.33Å; H48-Q50 HydrophobicContact CB-CG 4.03Å; H48-Q50 PolarHBondContact O-N 3.14Å
51	L	90	Very high	93.1	Very high	13 Å²	13	54.5 Å²	54.5	7%	0.068	29%	0.291	C	S	.	.	S	Bend	trans	-92.6	108.8	173.5	-56.4	-166.5	0	0	0	110	V46 G53 Q54 L116 Y119 Y137	V46-L51 HydrophobicContact CG2-CD1 3.53Å; V46-L51 HydrophobicContact CG2-CG 4.09Å; L51-G53 PolarHBondContact O-N 3.34Å; L51-Q54 HydrophobicContact CB-CB 4.21Å; L51-Q54 HydrophobicContact CB-CG 4.21Å; L51-Q54 PolarHBondContact O-N 3.18Å; L51-Q54 VanDerWaalsContact O-N 3.15Å; L51-L116 HydrophobicContact CD1-CD1 4.03Å; L51-Y119 HydrophobicContact CB-CD1 4.41Å; L51-Y119 HydrophobicContact CB-CD2 4.01Å; L51-Y119 HydrophobicContact CB-CE1 4.48Å; L51-Y119 HydrophobicContact CB-CE2 4.09Å; L51-Y119 HydrophobicContact CB-CG 4.22Å; L51-Y119 HydrophobicContact CD1-CD1 3.94Å; L51-Y119 HydrophobicContact CD1-CG 4.06Å; L51-Y119 HydrophobicContact CD2-CD1 4.13Å; L51-Y119 HydrophobicContact CD2-CE1 3.9Å; L51-Y119 HydrophobicContact CG-CD1 4.39Å; L51-Y137 HydrophobicContact CD1-CE2 3.73Å
52	E	84.7	Confident	93.1	Very high	99 Å²	99	55.4 Å²	55.4	46%	0.463	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	130	-177.1	-168.4	-163.8	-171	0	0	111.5	Q54 Y119 W197 R201	E52-Q54 VanDerWaalsContact C-N 3.28Å; E52-Q54 PolarHBondContact O-N 2.85Å; E52-Y119 WeakPolarHBondContact O-CE2 3.45Å; E52-W197 WeakPolarHBondContact OE1-CH2 3.41Å; E52-R201 IonicContact OE1-CZ 3.51Å; E52-R201 IonicContact OE1-NH1 3.47Å; E52-R201 PolarHBondContact OE1-NH1 3.03Å; E52-R201 IonicContact OE1-NH2 2.8Å; E52-R201 PolarHBondContact OE1-NH2 3.23Å; E52-R201 IonicContact OE2-CZ 3.52Å; E52-R201 IonicContact OE2-NH1 2.88Å; E52-R201 PolarHBondContact OE2-NH1 3.26Å; E52-R201 IonicContact OE2-NH2 3.18Å; E52-R201 PolarHBondContact OE2-NH2 2.67Å
53	G	83.3	Confident	93.1	Very high	53 Å²	53	55.6 Å²	55.6	55%	0.546	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.3	-10.9	178.3	0	0	0	0	0	115.5	L51	L51-G53 PolarHBondContact O-N 3.34Å
54	Q	88	Confident	93.1	Very high	13 Å²	13	61.6 Å²	61.6	6%	0.061	33%	0.327	C	S	.	.	S	Bend	trans	-93.6	142.4	175.5	-60.7	-56.4	-36.8	0	0	111.5	L51 E52 Y119 Y122	L51-Q54 HydrophobicContact CB-CB 4.21Å; L51-Q54 HydrophobicContact CB-CG 4.21Å; L51-Q54 PolarHBondContact O-N 3.18Å; L51-Q54 VanDerWaalsContact O-N 3.15Å; E52-Q54 VanDerWaalsContact C-N 3.28Å; E52-Q54 PolarHBondContact O-N 2.85Å; Q54-Y119 HydrophobicContact CG-CD2 4.07Å; Q54-Y119 HydrophobicContact CG-CG 4.48Å; Q54-Y119 PolarHBondContact NE2-O 3.1Å; Q54-Y122 PolarHBondContact NE2-O 3.14Å
55	P	89.3	Confident	93.1	Very high	1 Å²	1	60 Å²	60	1%	0.006	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-72	150.3	175	27.1	-30.5	0	0	0	111.7	A57 F124 F125 Y180 V182 Y186	P55-A57 PolarHBondContact O-N 3.13Å; P55-F124 HydrophobicContact CG-CB 4.02Å; P55-F124 HydrophobicContact CG-CD1 3.41Å; P55-F124 VanDerWaalsContact CG-CD1 3.41Å; P55-F124 HydrophobicContact CG-CD2 3.7Å; P55-F124 HydrophobicContact CG-CE1 3.69Å; P55-F124 HydrophobicContact CG-CE2 3.98Å; P55-F124 HydrophobicContact CG-CG 3.42Å; P55-F124 VanDerWaalsContact CG-CG 3.42Å; P55-F124 HydrophobicContact CG-CZ 3.97Å; P55-F125 HydrophobicContact CB-CZ 3.93Å; P55-F125 HydrophobicContact CG-CE1 4.41Å; P55-F125 HydrophobicContact CG-CZ 3.94Å; P55-Y180 WeakPolarHBondContact CD-OH 3.44Å; P55-Y180 HydrophobicContact CG-CE2 4.22Å; P55-Y180 VanDerWaalsContact O-CE2 3.3Å; P55-Y180 WeakPolarHBondContact O-CE2 3.4Å; P55-Y180 PolarHBondContact O-OH 2.92Å; P55-V182 HydrophobicContact CB-CG1 3.85Å; P55-V182 HydrophobicContact CB-CG2 3.84Å; P55-V182 HydrophobicContact CG-CG2 3.78Å; P55-Y186 HydrophobicContact CB-CD2 4.29Å; P55-Y186 HydrophobicContact CB-CE2 4.06Å
56	I	91.8	Very high	93.2	Very high	66 Å²	66	60.4 Å²	60.4	34%	0.338	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-63.7	128.2	176.1	-52.4	-178.8	0	0	0	109.3	V46 M47 V182 K183	V46-I56 WeakPolarHBondContact O-CA 3.28Å; M47-I56 WeakPolarHBondContact O-CG2 3.43Å; I56-V182 CarbonylContact O-C 3.6Å; I56-V182 WeakPolarHBondContact O-CA 3.4Å; I56-K183 HydrophobicContact CB-CB 4.24Å; I56-K183 HydrophobicContact CG2-CB 4.01Å; I56-K183 HydrophobicContact CG2-CD 4.13Å; I56-K183 PolarHBondContact O-N 2.81Å
57	A	94.1	Very high	93.3	Very high	1 Å²	1	65.4 Å²	65.4	1%	0.008	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-73.5	144.4	174.5	0	0	0	0	0	112.3	V46 M47 P55 I60 Y180 S181	V46-A57 HydrophobicContact CG1-CB 3.69Å; V46-A57 PolarHBondContact O-N 2.8Å; M47-A57 HydrophobicContact CG-CB 4.1Å; P55-A57 PolarHBondContact O-N 3.13Å; A57-I60 HydrophobicContact CB-CD1 3.53Å; A57-I60 HydrophobicContact CB-CG1 3.62Å; A57-Y180 HydrophobicContact CB-CD2 3.46Å; A57-Y180 VanDerWaalsContact CB-CD2 3.46Å; A57-Y180 HydrophobicContact CB-CE2 3.83Å; A57-Y180 HydrophobicContact CB-CG 4.01Å; A57-S181 CarbonylContact C-O 3.59Å; A57-S181 WeakPolarHBondContact CA-O 3.36Å
58	K	92.7	Very high	93.3	Very high	147 Å²	147	66.6 Å²	66.6	64%	0.639	35%	0.346	S	S	*	.	S	Bend	trans	-65.8	-48.8	175.7	-176.8	-176.2	175.2	-172.5	0	110.8	S181	K58-S181 WeakPolarHBondContact CB-O 3.4Å; K58-S181 PolarHBondContact N-O 3Å
59	S	92.3	Very high	93.6	Very high	56 Å²	56	60.5 Å²	60.5	39%	0.392	32%	0.317	S	S	.	.			trans	-159.5	142.7	175.6	-171.2	0	0	0	0	107.9
60	I	95.3	Very high	94	Very high	7 Å²	7	59.3 Å²	59.3	4%	0.036	30%	0.302	C	S	.	.			trans	-142.2	117.5	168.1	-61	-178.1	0	0	0	106	R43 V46 M47 A57 V141 Y180	R43-I60 HydrophobicContact CB-CB 4.5Å; R43-I60 HydrophobicContact CB-CG2 3.79Å; R43-I60 HydrophobicContact CG-CG2 3.86Å; R43-I60 VanDerWaalsContact NE-CG2 3.28Å; R43-I60 VanDerWaalsContact NH2-CG2 3.31Å; V46-I60 HydrophobicContact CB-CD1 4.26Å; V46-I60 HydrophobicContact CG1-CD1 4.12Å; M47-I60 HydrophobicContact CG-CB 4.11Å; M47-I60 HydrophobicContact CG-CG1 4.25Å; M47-I60 HydrophobicContact SD-CB 3.9Å; M47-I60 PolarHBondContact SD-N 3.09Å; M47-I60 VanDerWaalsContact SD-N 3.35Å; A57-I60 HydrophobicContact CB-CD1 3.53Å; A57-I60 HydrophobicContact CB-CG1 3.62Å; I60-V141 HydrophobicContact CD1-CB 4.46Å; I60-Y180 HydrophobicContact CD1-CD1 4.1Å; I60-Y180 HydrophobicContact CD1-CG 3.97Å
61	K	96.6	Very high	94.2	Very high	148 Å²	148	59.1 Å²	59.1	64%	0.643	30%	0.299	S	S	*	.	P	Polyproline II helix	trans	-68.8	145.6	179.5	-67.7	-178.6	179.9	178.6	0	110.6	R43	R43-K61 VanDerWaalsContact CZ-O 3.27Å; R43-K61 PolarHBondContact NE-O 3.29Å; R43-K61 PolarHBondContact NH2-O 2.96Å
62	P	98.1	Very high	94.5	Very high	97 Å²	97	61.1 Å²	61.1	63%	0.63	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-60.7	144	167.9	28.2	-34.3	0	0	0	109.8	N40	N40-P62 WeakPolarHBondContact OD1-CA 3.28Å
63	L	98.7	Very high	95.1	Very high	7 Å²	7	56.4 Å²	56.4	4%	0.037	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-72.1	147	170.3	-56.5	180	0	0	0	109.6	L36 H39 N40 T145 T146 I148	L36-L63 HydrophobicContact CD1-CB 4.21Å; L36-L63 WeakPolarHBondContact CD1-O 3.42Å; H39-L63 HydrophobicContact CB-CD1 4.04Å; N40-L63 PolarHBondContact ND2-O 3.47Å; N40-L63 VanDerWaalsContact ND2-O 3.11Å; N40-L63 PolarHBondContact OD1-N 3.48Å; L63-T145 HydrophobicContact CD2-CG2 3.83Å; L63-T145 WeakPolarHBondContact CD2-O 3.15Å; L63-T146 WeakPolarHBondContact CA-O 3.27Å; L63-I148 HydrophobicContact CB-CB 4.48Å; L63-I148 HydrophobicContact CB-CG2 3.96Å; L63-I148 HydrophobicContact CD1-CB 4.03Å; L63-I148 HydrophobicContact CD1-CD1 4.27Å; L63-I148 HydrophobicContact CD1-CG2 4.17Å
64	K	98.5	Very high	95.8	Very high	128 Å²	128	54.5 Å²	54.5	56%	0.557	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.3	157	166.1	65.7	-177.6	-178.5	175.4	0	110.3	T146 D147 I148	K64-T146 PolarHBondContact N-O 2.9Å; K64-D147 WeakPolarHBondContact CE-OD1 3.48Å; K64-D147 WeakPolarHBondContact CE-OD2 3.33Å; K64-D147 IonicContact NZ-OD1 3.89Å; K64-D147 IonicContact NZ-OD2 3.78Å; K64-D147 WeakPolarHBondContact O-CA 3.21Å; K64-I148 PolarHBondContact O-N 3.27Å
65	W	98.5	Very high	96.2	Very high	47 Å²	47	57.8 Å²	57.8	18%	0.178	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	146.4	177.6	-160.6	-95.3	0	0	0	112.3	M27 R32 L35 L36 E70 I148 C150	M27-W65 HydrophobicContact CE-CH2 3.79Å; M27-W65 HydrophobicContact CE-CZ2 3.59Å; R32-W65 HydrophobicContact CB-CZ2 4.47Å; R32-W65 HydrophobicContact CG-CD2 3.62Å; R32-W65 VanDerWaalsContact CG-CE2 3.46Å; R32-W65 HydrophobicContact CG-CE3 3.94Å; R32-W65 HydrophobicContact CG-CG 4.15Å; R32-W65 HydrophobicContact CG-CH2 3.9Å; R32-W65 HydrophobicContact CG-CZ2 3.63Å; R32-W65 HydrophobicContact CG-CZ3 4.06Å; L35-W65 HydrophobicContact CB-CZ3 4.39Å; L36-W65 HydrophobicContact CB-CE3 4.02Å; L36-W65 HydrophobicContact CB-CZ3 4.25Å; L36-W65 HydrophobicContact CD1-CE3 4.3Å; L36-W65 HydrophobicContact CD2-CB 4.45Å; W65-E70 VanDerWaalsContact CE2-OE2 3.23Å; W65-E70 HydrophobicContact CZ2-CB 4.05Å; W65-E70 HydrophobicContact CZ2-CG 4.38Å; W65-E70 VanDerWaalsContact CZ2-OE2 3.3Å; W65-E70 WeakPolarHBondContact CZ2-OE2 3.41Å; W65-E70 PolarHBondContact NE1-OE2 3.47Å; W65-I148 CarbonylContact C-O 3.58Å; W65-I148 WeakPolarHBondContact CA-O 3.38Å; W65-I148 HydrophobicContact CE3-CG2 3.96Å; W65-I148 HydrophobicContact CZ3-CG2 4.28Å; W65-C150 HydrophobicContact CH2-CB 3.68Å; W65-C150 HydrophobicContact CZ2-CB 4.34Å
66	N	98.3	Very high	96.5	Very high	35 Å²	35	58.5 Å²	58.5	19%	0.187	28%	0.283	C	S	.	.			trans	-136.8	118	179.1	-171.5	-59.7	0	0	0	111.1	E68 L69 E70 D147 I148	N66-E68 PolarHBondContact O-N 2.98Å; N66-E68 PolarHBondContact OD1-N 3.07Å; N66-E68 VanDerWaalsContact OD1-N 3.16Å; N66-L69 HydrophobicContact CB-CB 4.2Å; N66-L69 HydrophobicContact CB-CD1 3.93Å; N66-L69 HydrophobicContact CB-CG 4.05Å; N66-L69 PolarHBondContact O-N 3.43Å; N66-L69 PolarHBondContact OD1-N 2.69Å; N66-E70 PolarHBondContact O-N 3.22Å; N66-E70 VanDerWaalsContact O-N 3.08Å; N66-D147 HydrophobicContact CB-CB 4.05Å; N66-D147 PolarHBondContact ND2-OD1 3.34Å; N66-I148 PolarHBondContact N-O 2.82Å
67	M	97	Very high	96.7	Very high	107 Å²	107	55.4 Å²	55.4	53%	0.527	27%	0.267	S	S	.	.	H	α-helix	trans	-68.9	-29.1	-173	-63.8	-52.9	-66.4	0	0	113.9	E70 K71	M67-E70 PolarHBondContact O-N 2.87Å; M67-K71 WeakPolarHBondContact O-CB 3.44Å; M67-K71 PolarHBondContact O-N 3.36Å
68	E	97.3	Very high	96.8	Very high	85 Å²	85	57.5 Å²	57.5	40%	0.397	28%	0.278	S	S	.	.	H	α-helix	trans	-73	-38.7	176.5	-67.4	-59.4	139.4	0	0	111.1	N66 E70 K71 K72 V92	N66-E68 PolarHBondContact O-N 2.98Å; N66-E68 PolarHBondContact OD1-N 3.07Å; N66-E68 VanDerWaalsContact OD1-N 3.16Å; E68-E70 VanDerWaalsContact C-N 3.34Å; E68-K71 PolarHBondContact O-N 2.73Å; E68-K72 WeakPolarHBondContact O-CB 3.39Å; E68-K72 VanDerWaalsContact O-CG 3.29Å; E68-K72 WeakPolarHBondContact O-CG 3.43Å; E68-K72 PolarHBondContact O-N 3.25Å; E68-K72 VanDerWaalsContact O-N 3.14Å; E68-V92 HydrophobicContact CB-CB 3.97Å; E68-V92 HydrophobicContact CB-CG1 3.82Å
69	L	98.3	Very high	96.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.6	-41.2	172.3	-66.9	-177.7	0	0	0	111.4	N66 A73 V92 F95 V98 D147 N167	N66-L69 HydrophobicContact CB-CB 4.2Å; N66-L69 HydrophobicContact CB-CD1 3.93Å; N66-L69 HydrophobicContact CB-CG 4.05Å; N66-L69 PolarHBondContact O-N 3.43Å; N66-L69 PolarHBondContact OD1-N 2.69Å; L69-A73 WeakPolarHBondContact O-CB 3.37Å; L69-A73 PolarHBondContact O-N 3.36Å; L69-V92 HydrophobicContact CD2-CG1 4.3Å; L69-V92 HydrophobicContact CD2-CG2 3.58Å; L69-V92 HydrophobicContact CG-CG2 4.33Å; L69-F95 HydrophobicContact CD1-CD2 4.4Å; L69-F95 HydrophobicContact CD1-CE2 3.9Å; L69-F95 HydrophobicContact CD2-CD2 4.05Å; L69-F95 HydrophobicContact CD2-CE2 4.21Å; L69-F95 HydrophobicContact CG-CD2 4.41Å; L69-F95 HydrophobicContact CG-CE2 4.06Å; L69-V98 HydrophobicContact CD2-CG1 3.73Å; L69-V98 HydrophobicContact CD2-CG2 3.89Å; L69-D147 HydrophobicContact CD1-CB 3.87Å; L69-N167 HydrophobicContact CB-CB 4.06Å; L69-N167 HydrophobicContact CD2-CB 4.12Å; L69-N167 PolarHBondContact O-ND2 3.4Å
70	E	97.9	Very high	96.9	Very high	11 Å²	11	53.8 Å²	53.8	5%	0.051	27%	0.267	C	S	.	.	H	α-helix	trans	-61.1	-53.6	174.2	162.3	173.1	158.8	0	0	111.1	R32 W65 N66 M67 E68 K72 A73 Q74 C150	R32-E70 IonicContact CZ-OE1 3.66Å; R32-E70 IonicContact CZ-OE2 3.44Å; R32-E70 IonicContact NE-OE1 3.79Å; R32-E70 IonicContact NE-OE2 2.79Å; R32-E70 PolarHBondContact NE-OE2 3.19Å; R32-E70 IonicContact NH2-OE1 2.7Å; R32-E70 PolarHBondContact NH2-OE1 3.31Å; R32-E70 IonicContact NH2-OE2 3.25Å; R32-E70 PolarHBondContact NH2-OE2 2.88Å; W65-E70 VanDerWaalsContact CE2-OE2 3.23Å; W65-E70 HydrophobicContact CZ2-CB 4.05Å; W65-E70 HydrophobicContact CZ2-CG 4.38Å; W65-E70 VanDerWaalsContact CZ2-OE2 3.3Å; W65-E70 WeakPolarHBondContact CZ2-OE2 3.41Å; W65-E70 PolarHBondContact NE1-OE2 3.47Å; N66-E70 PolarHBondContact O-N 3.22Å; N66-E70 VanDerWaalsContact O-N 3.08Å; M67-E70 PolarHBondContact O-N 2.87Å; E68-E70 VanDerWaalsContact C-N 3.34Å; E70-K72 PolarHBondContact O-N 2.78Å; E70-K72 VanDerWaalsContact O-N 3.16Å; E70-A73 CarbonylContact O-C 3.5Å; E70-A73 WeakPolarHBondContact O-CA 3.07Å; E70-A73 WeakPolarHBondContact O-CB 3.35Å; E70-A73 PolarHBondContact O-N 3.28Å; E70-Q74 WeakPolarHBondContact O-CB 3.22Å; E70-Q74 PolarHBondContact O-N 2.85Å; E70-C150 WeakPolarHBondContact CG-O 3.45Å
71	K	96.7	Very high	96.6	Very high	120 Å²	120	60.8 Å²	60.8	52%	0.522	29%	0.294	S	S	.	.	H	α-helix	trans	-52.6	-41.6	-179.6	-178.8	179.2	179.5	-179.4	0	111.6	M67 E68 M75	M67-K71 WeakPolarHBondContact O-CB 3.44Å; M67-K71 PolarHBondContact O-N 3.36Å; E68-K71 PolarHBondContact O-N 2.73Å; K71-M75 HydrophobicContact CG-CE 4.46Å; K71-M75 WeakPolarHBondContact O-CG 3.38Å; K71-M75 PolarHBondContact O-N 2.93Å; K71-M75 VanDerWaalsContact O-N 3.13Å
72	K	96.9	Very high	96.2	Very high	56 Å²	56	58.2 Å²	58.2	24%	0.243	28%	0.282	C	S	.	.	H	α-helix	trans	-68.9	-40.9	175.9	-70.9	-85.1	173.7	178.5	0	113.1	E68 E70 M75 L76 E89 K91 V92	E68-K72 WeakPolarHBondContact O-CB 3.39Å; E68-K72 VanDerWaalsContact O-CG 3.29Å; E68-K72 WeakPolarHBondContact O-CG 3.43Å; E68-K72 PolarHBondContact O-N 3.25Å; E68-K72 VanDerWaalsContact O-N 3.14Å; E70-K72 PolarHBondContact O-N 2.78Å; E70-K72 VanDerWaalsContact O-N 3.16Å; K72-M75 HydrophobicContact CB-CE 4.48Å; K72-M75 HydrophobicContact CD-CE 3.61Å; K72-M75 HydrophobicContact CG-CE 4.11Å; K72-L76 PolarHBondContact O-N 3.02Å; K72-E89 WeakPolarHBondContact CD-O 3.3Å; K72-E89 WeakPolarHBondContact CE-O 3.17Å; K72-E89 PolarHBondContact NZ-O 3.18Å; K72-K91 VanDerWaalsContact CE-O 3.29Å; K72-K91 WeakPolarHBondContact CE-O 3.3Å; K72-V92 HydrophobicContact CB-CG1 4.46Å; K72-V92 HydrophobicContact CD-CG1 4.44Å; K72-V92 HydrophobicContact CG-CG1 3.6Å
73	A	97.7	Very high	95.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-68	-37.4	177.2	0	0	0	0	0	111.9	L69 E70 L76 A77 G151 V165 N167	L69-A73 WeakPolarHBondContact O-CB 3.37Å; L69-A73 PolarHBondContact O-N 3.36Å; E70-A73 CarbonylContact O-C 3.5Å; E70-A73 WeakPolarHBondContact O-CA 3.07Å; E70-A73 WeakPolarHBondContact O-CB 3.35Å; E70-A73 PolarHBondContact O-N 3.28Å; A73-L76 PolarHBondContact O-N 2.82Å; A73-A77 WeakPolarHBondContact O-CB 3.44Å; A73-A77 PolarHBondContact O-N 2.98Å; A73-G151 VanDerWaalsContact CB-N 3.32Å; A73-V165 HydrophobicContact CB-CB 4Å; A73-V165 HydrophobicContact CB-CG1 3.75Å; A73-V165 WeakPolarHBondContact O-CB 3.46Å; A73-N167 WeakPolarHBondContact CA-ND2 3.38Å; A73-N167 HydrophobicContact CB-CB 4.42Å; A73-N167 PolarHBondContact N-ND2 3.01Å; A73-N167 VanDerWaalsContact N-ND2 3.13Å
74	Q	97.3	Very high	95.2	Very high	12 Å²	12	57.4 Å²	57.4	6%	0.056	28%	0.28	C	S	.	.	H	α-helix	trans	-65.5	-48.9	177.1	-167.4	60.5	53.3	0	0	110.8	E70 L76 A77 D78 V152	E70-Q74 WeakPolarHBondContact O-CB 3.22Å; E70-Q74 PolarHBondContact O-N 2.85Å; Q74-L76 VanDerWaalsContact C-N 3.25Å; Q74-L76 PolarHBondContact O-N 3.35Å; Q74-A77 WeakPolarHBondContact O-CA 3.49Å; Q74-A77 WeakPolarHBondContact O-CB 3.42Å; Q74-A77 PolarHBondContact O-N 3.34Å; Q74-D78 WeakPolarHBondContact CG-OD2 3.36Å; Q74-D78 PolarHBondContact NE2-OD1 3.27Å; Q74-D78 PolarHBondContact NE2-OD2 3.49Å; Q74-D78 VanDerWaalsContact O-CG 3.22Å; Q74-D78 PolarHBondContact O-N 3.3Å; Q74-V152 PolarHBondContact NE2-O 3.45Å; Q74-V152 PolarHBondContact OE1-O 3.21Å
75	M	96	Very high	94.8	Very high	82 Å²	82	52.5 Å²	52.5	40%	0.404	26%	0.259	S	S	.	.	H	α-helix	trans	-53	-39.7	174.6	-74.4	-175.7	-61.3	0	0	113.1	K71 K72 T79	K71-M75 HydrophobicContact CG-CE 4.46Å; K71-M75 WeakPolarHBondContact O-CG 3.38Å; K71-M75 PolarHBondContact O-N 2.93Å; K71-M75 VanDerWaalsContact O-N 3.13Å; K72-M75 HydrophobicContact CB-CE 4.48Å; K72-M75 HydrophobicContact CD-CE 3.61Å; K72-M75 HydrophobicContact CG-CE 4.11Å; M75-T79 WeakPolarHBondContact O-CG2 3.01Å
76	L	95.7	Very high	94.6	Very high	17 Å²	17	52.7 Å²	52.7	9%	0.089	27%	0.268	C	S	.	.	H	α-helix	trans	-71	-44	172.7	177.5	60.1	0	0	0	112	K72 A73 Q74 D78 T79 D85 V165	K72-L76 PolarHBondContact O-N 3.02Å; A73-L76 PolarHBondContact O-N 2.82Å; Q74-L76 VanDerWaalsContact C-N 3.25Å; Q74-L76 PolarHBondContact O-N 3.35Å; L76-D78 VanDerWaalsContact C-N 3.28Å; L76-D78 PolarHBondContact O-N 3.46Å; L76-T79 WeakPolarHBondContact O-CB 3.08Å; L76-T79 PolarHBondContact O-N 3.06Å; L76-T79 PolarHBondContact O-OG1 2.78Å; L76-D85 HydrophobicContact CD1-CB 4.17Å; L76-D85 HydrophobicContact CD2-CB 3.92Å; L76-V165 HydrophobicContact CB-CG1 4.48Å; L76-V165 HydrophobicContact CB-CG2 4.26Å; L76-V165 HydrophobicContact CD2-CG1 3.95Å; L76-V165 HydrophobicContact CD2-CG2 4.04Å; L76-V165 HydrophobicContact CG-CG2 4.01Å
77	A	96.7	Very high	94.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-55.6	-45.9	-179.6	0	0	0	0	0	111.4	A73 Q74 T79 C80 A153 S163 V165	A73-A77 WeakPolarHBondContact O-CB 3.44Å; A73-A77 PolarHBondContact O-N 2.98Å; Q74-A77 WeakPolarHBondContact O-CA 3.49Å; Q74-A77 WeakPolarHBondContact O-CB 3.42Å; Q74-A77 PolarHBondContact O-N 3.34Å; A77-T79 VanDerWaalsContact C-N 3.25Å; A77-T79 PolarHBondContact O-N 3.06Å; A77-C80 PolarHBondContact O-N 2.82Å; A77-A153 VanDerWaalsContact C-CB 3.4Å; A77-A153 HydrophobicContact CB-CB 3.92Å; A77-A153 VanDerWaalsContact O-CB 3.3Å; A77-A153 WeakPolarHBondContact O-CB 3.39Å; A77-S163 WeakPolarHBondContact O-CB 3.11Å; A77-S163 PolarHBondContact O-OG 2.69Å; A77-V165 HydrophobicContact CB-CG2 3.92Å
78	D	95.4	Very high	94.2	Very high	45 Å²	45	56.1 Å²	56.1	24%	0.241	30%	0.297	C	S	.	.	H	α-helix	trans	-66.7	-19.9	-176.6	-62.3	-43.2	0	0	0	114.2	H24 Q74 L76 C80 A153	H24-D78 WeakPolarHBondContact CB-OD2 3.23Å; H24-D78 IonicContact CD2-OD2 3.16Å; H24-D78 PolarHBondContact CD2-OD2 2.95Å; H24-D78 IonicContact CG-OD2 3.6Å; Q74-D78 WeakPolarHBondContact CG-OD2 3.36Å; Q74-D78 PolarHBondContact NE2-OD1 3.27Å; Q74-D78 PolarHBondContact NE2-OD2 3.49Å; Q74-D78 VanDerWaalsContact O-CG 3.22Å; Q74-D78 PolarHBondContact O-N 3.3Å; L76-D78 VanDerWaalsContact C-N 3.28Å; L76-D78 PolarHBondContact O-N 3.46Å; D78-C80 PolarHBondContact O-N 2.76Å; D78-A153 WeakPolarHBondContact OD1-CB 3.44Å
79	T	94.1	Very high	94	Very high	83 Å²	83	57.4 Å²	57.4	51%	0.509	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.3	171	68.9	0	0	0	0	112.9	M75 L76 A77 Y81	M75-T79 WeakPolarHBondContact O-CG2 3.01Å; L76-T79 WeakPolarHBondContact O-CB 3.08Å; L76-T79 PolarHBondContact O-N 3.06Å; L76-T79 PolarHBondContact O-OG1 2.78Å; A77-T79 VanDerWaalsContact C-N 3.25Å; A77-T79 PolarHBondContact O-N 3.06Å; T79-Y81 PolarHBondContact O-N 2.82Å; T79-Y81 WeakPolarHBondContact OG1-CB 3.23Å; T79-Y81 PolarHBondContact OG1-N 3.07Å; T79-Y81 VanDerWaalsContact OG1-N 3.1Å
80	C	93.8	Very high	93.8	Very high	43 Å²	43	59.3 Å²	59.3	29%	0.291	31%	0.31	S	S	.	.			trans	54.4	13.2	-168.2	-67.1	0	0	0	0	115.3	A77 D78 C155	A77-C80 PolarHBondContact O-N 2.82Å; D78-C80 PolarHBondContact O-N 2.76Å; C80-C155 WeakPolarHBondContact CA-SG 3.44Å; C80-C155 HydrophobicContact CB-CB 3.72Å; C80-C155 WeakPolarHBondContact CB-SG 3.46Å; C80-C155 WeakPolarHBondContact SG-CA 3.29Å; C80-C155 WeakPolarHBondContact SG-CB 3.46Å; C80-C155 CovalentContact SG-SG 2.03Å; C80-C155 PolarHBondContact SG-SG 2.91Å
81	Y	88.6	Confident	93.8	Very high	154 Å²	154	65.7 Å²	65.7	60%	0.604	34%	0.338	S	S	*	.			trans	-71.6	153.7	176.4	-179.1	-102.9	0	0	0	112.1	T79 W102	T79-Y81 PolarHBondContact O-N 2.82Å; T79-Y81 WeakPolarHBondContact OG1-CB 3.23Å; T79-Y81 PolarHBondContact OG1-N 3.07Å; T79-Y81 VanDerWaalsContact OG1-N 3.1Å; Y81-W102 PolarHBondContact O-NE1 3.18Å
82	F	88.7	Confident	93.7	Very high	93 Å²	93	60.4 Å²	60.4	41%	0.408	32%	0.315	S	S	.	.	S	Bend	trans	-98.8	99.4	-175	-70.1	1.4	0	0	0	112	W102 S158 P159 F160	F82-W102 HydrophobicContact CB-CH2 4.06Å; F82-W102 HydrophobicContact CB-CZ2 4.17Å; F82-W102 AromaticContact CD1-CH2 3.91Å; F82-W102 HydrophobicContact CD1-CH2 3.91Å; F82-W102 AromaticContact CD1-CZ2 3.68Å; F82-W102 HydrophobicContact CD1-CZ2 3.68Å; F82-W102 HydrophobicContact CE1-CZ2 4.46Å; F82-W102 AromaticContact CG-CH2 4Å; F82-W102 HydrophobicContact CG-CH2 4Å; F82-W102 HydrophobicContact CG-CZ2 4.14Å; F82-S158 VanDerWaalsContact CE1-OG 3.27Å; F82-S158 WeakPolarHBondContact CE1-OG 3.33Å; F82-S158 VanDerWaalsContact CZ-OG 3.3Å; F82-S158 WeakPolarHBondContact CZ-OG 3.32Å; F82-P159 HydrophobicContact CE2-CG 4.12Å; F82-P159 HydrophobicContact CZ-CG 3.95Å; F82-F160 HydrophobicContact CD1-CD2 4.36Å; F82-F160 HydrophobicContact CD1-CE2 4.4Å; F82-F160 AromaticContact CD2-CE2 3.88Å; F82-F160 HydrophobicContact CD2-CE2 3.88Å; F82-F160 AromaticContact CE1-CD2 3.76Å; F82-F160 HydrophobicContact CE1-CD2 3.76Å; F82-F160 HydrophobicContact CE1-CE2 4.07Å; F82-F160 AromaticContact CE2-CD2 3.94Å; F82-F160 HydrophobicContact CE2-CD2 3.94Å; F82-F160 AromaticContact CE2-CE2 3.49Å; F82-F160 HydrophobicContact CE2-CE2 3.49Å; F82-F160 VanDerWaalsContact CE2-CE2 3.49Å; F82-F160 HydrophobicContact CE2-CZ 4.49Å; F82-F160 HydrophobicContact CG-CE2 4.33Å; F82-F160 AromaticContact CZ-CD2 3.51Å; F82-F160 HydrophobicContact CZ-CD2 3.51Å; F82-F160 AromaticContact CZ-CE2 3.59Å; F82-F160 HydrophobicContact CZ-CE2 3.59Å
83	G	86.2	Confident	93.7	Very high	11 Å²	11	62.8 Å²	62.8	11%	0.113	34%	0.337	C	S	.	.	S	Bend	trans	132.1	-171.2	171.5	0	0	0	0	0	112.9
84	P	88.8	Confident	93.6	Very high	77 Å²	77	66.6 Å²	66.6	50%	0.5	38%	0.376	S	S	.	.			trans	-79.5	158.8	-179.2	34.2	-35.5	0	0	0	112.6
85	D	91.8	Very high	93.5	Very high	24 Å²	24	67.5 Å²	67.5	13%	0.128	38%	0.38	C	S	.	.			trans	-81.6	175.5	165.1	61.8	20.1	0	0	0	112.2	L76 E89 R90 Q100	L76-D85 HydrophobicContact CD1-CB 4.17Å; L76-D85 HydrophobicContact CD2-CB 3.92Å; D85-E89 HydrophobicContact CB-CB 4.02Å; D85-R90 PolarHBondContact O-NH1 3.35Å; D85-R90 VanDerWaalsContact OD1-CD 3.28Å; D85-R90 WeakPolarHBondContact OD1-CD 3.48Å; D85-R90 WeakPolarHBondContact OD1-CG 3.46Å; D85-R90 IonicContact OD1-CZ 2.69Å; D85-R90 IonicContact OD1-NE 3.93Å; D85-R90 IonicContact OD1-NH1 3.75Å; D85-R90 PolarHBondContact OD1-NH1 3.43Å; D85-R90 WeakPolarHBondContact OD2-CB 3.41Å; D85-Q100 PolarHBondContact OD1-NE2 3.37Å; D85-Q100 PolarHBondContact OD1-OE1 2.81Å; D85-Q100 PolarHBondContact OD2-NE2 3.15Å
86	S	94	Very high	93.2	Very high	52 Å²	52	70.6 Å²	70.6	36%	0.364	40%	0.403	S	S	.	.			trans	-71.7	154	169.3	75.1	0	0	0	0	111.7	I88 E89 R90	S86-I88 PolarHBondContact O-N 3.01Å; S86-I88 VanDerWaalsContact O-N 3.08Å; S86-E89 WeakPolarHBondContact CA-OE2 3.17Å; S86-E89 WeakPolarHBondContact CB-OE2 3.36Å; S86-E89 PolarHBondContact N-OE2 3.48Å; S86-E89 PolarHBondContact O-N 2.82Å; S86-E89 VanDerWaalsContact O-N 3.12Å; S86-E89 WeakPolarHBondContact OG-CG 3.4Å; S86-E89 PolarHBondContact OG-N 2.79Å; S86-E89 PolarHBondContact OG-OE2 2.04Å; S86-R90 PolarHBondContact O-N 3.44Å
87	A	91.8	Very high	93.1	Very high	71 Å²	71	72.9 Å²	72.9	59%	0.587	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-18.3	175.3	0	0	0	0	0	113.9
88	I	94	Very high	93.1	Very high	143 Å²	143	73.5 Å²	73.5	73%	0.733	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-46.7	175.3	-62.6	173.2	0	0	0	109.8	S86 R90 K91	S86-I88 PolarHBondContact O-N 3.01Å; S86-I88 VanDerWaalsContact O-N 3.08Å; I88-R90 PolarHBondContact O-N 3.12Å; I88-K91 VanDerWaalsContact O-CB 3.32Å; I88-K91 WeakPolarHBondContact O-CB 3.33Å; I88-K91 PolarHBondContact O-N 2.98Å
89	E	94.5	Very high	93.1	Very high	112 Å²	112	71.8 Å²	71.8	52%	0.523	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-45.7	-177.5	-75	158.2	127.7	0	0	111.7	K72 D85 S86 K91	K72-E89 WeakPolarHBondContact CD-O 3.3Å; K72-E89 WeakPolarHBondContact CE-O 3.17Å; K72-E89 PolarHBondContact NZ-O 3.18Å; D85-E89 HydrophobicContact CB-CB 4.02Å; S86-E89 WeakPolarHBondContact CA-OE2 3.17Å; S86-E89 WeakPolarHBondContact CB-OE2 3.36Å; S86-E89 PolarHBondContact N-OE2 3.48Å; S86-E89 PolarHBondContact O-N 2.82Å; S86-E89 VanDerWaalsContact O-N 3.12Å; S86-E89 WeakPolarHBondContact OG-CG 3.4Å; S86-E89 PolarHBondContact OG-N 2.79Å; S86-E89 PolarHBondContact OG-OE2 2.04Å; E89-K91 VanDerWaalsContact C-N 3.32Å; E89-K91 PolarHBondContact O-N 3.12Å
90	R	94.1	Very high	93.3	Very high	40 Å²	40	69 Å²	69	15%	0.151	39%	0.393	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	6.4	177.8	64.2	176.9	178.8	-99.2	2.1	116.5	D85 S86 I88 V98	D85-R90 PolarHBondContact O-NH1 3.35Å; D85-R90 VanDerWaalsContact OD1-CD 3.28Å; D85-R90 WeakPolarHBondContact OD1-CD 3.48Å; D85-R90 WeakPolarHBondContact OD1-CG 3.46Å; D85-R90 IonicContact OD1-CZ 2.69Å; D85-R90 IonicContact OD1-NE 3.93Å; D85-R90 IonicContact OD1-NH1 3.75Å; D85-R90 PolarHBondContact OD1-NH1 3.43Å; D85-R90 WeakPolarHBondContact OD2-CB 3.41Å; S86-R90 PolarHBondContact O-N 3.44Å; I88-R90 PolarHBondContact O-N 3.12Å; R90-V98 HydrophobicContact CB-CG1 4.34Å; R90-V98 HydrophobicContact CG-CB 4.16Å; R90-V98 HydrophobicContact CG-CG1 4.19Å; R90-V98 PolarHBondContact NE-O 2.83Å
91	K	96.1	Very high	93.4	Very high	145 Å²	145	67 Å²	67	63%	0.63	38%	0.38	S	S	*	.			trans	-66.1	137.2	178	-172.8	178.4	178.8	-178	0	111.2	K72 I88 E89	K72-K91 VanDerWaalsContact CE-O 3.29Å; K72-K91 WeakPolarHBondContact CE-O 3.3Å; I88-K91 VanDerWaalsContact O-CB 3.32Å; I88-K91 WeakPolarHBondContact O-CB 3.33Å; I88-K91 PolarHBondContact O-N 2.98Å; E89-K91 VanDerWaalsContact C-N 3.32Å; E89-K91 PolarHBondContact O-N 3.12Å
92	V	96.3	Very high	93.8	Very high	8 Å²	8	61.6 Å²	61.6	5%	0.048	36%	0.358	C	S	.	.			trans	-134.8	159.8	174.2	-59.8	0	0	0	0	111	E68 L69 K72 F95 V98	E68-V92 HydrophobicContact CB-CB 3.97Å; E68-V92 HydrophobicContact CB-CG1 3.82Å; L69-V92 HydrophobicContact CD2-CG1 4.3Å; L69-V92 HydrophobicContact CD2-CG2 3.58Å; L69-V92 HydrophobicContact CG-CG2 4.33Å; K72-V92 HydrophobicContact CB-CG1 4.46Å; K72-V92 HydrophobicContact CD-CG1 4.44Å; K72-V92 HydrophobicContact CG-CG1 3.6Å; V92-F95 HydrophobicContact CG2-CD2 3.57Å; V92-F95 HydrophobicContact CG2-CE2 4.19Å; V92-V98 HydrophobicContact CG2-CG2 4.16Å
93	P	95.4	Very high	94.2	Very high	106 Å²	106	57.5 Å²	57.5	69%	0.688	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	147.3	167.8	-22.6	34.7	0	0	0	112.2	F95	P93-F95 PolarHBondContact O-N 3.04Å
94	G	95.4	Very high	94.6	Very high	80 Å²	80	57.1 Å²	57.1	83%	0.825	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.5	-16	174.8	0	0	0	0	0	116.5
95	F	95.1	Very high	95	Very high	32 Å²	32	53.5 Å²	53.5	14%	0.14	31%	0.314	C	S	.	.			trans	-123.2	132.9	174.2	-52.6	-64.6	0	0	0	111.9	L69 V92 P93 N97 V98 D147	L69-F95 HydrophobicContact CD1-CD2 4.4Å; L69-F95 HydrophobicContact CD1-CE2 3.9Å; L69-F95 HydrophobicContact CD2-CD2 4.05Å; L69-F95 HydrophobicContact CD2-CE2 4.21Å; L69-F95 HydrophobicContact CG-CD2 4.41Å; L69-F95 HydrophobicContact CG-CE2 4.06Å; V92-F95 HydrophobicContact CG2-CD2 3.57Å; V92-F95 HydrophobicContact CG2-CE2 4.19Å; P93-F95 PolarHBondContact O-N 3.04Å; F95-N97 VanDerWaalsContact C-N 3.34Å; F95-V98 HydrophobicContact CB-CG2 4.2Å; F95-D147 HydrophobicContact CE1-CB 4.18Å; F95-D147 HydrophobicContact CE2-CB 4.18Å; F95-D147 HydrophobicContact CZ-CB 3.53Å
96	T	91	Very high	95.2	Very high	146 Å²	146	55.4 Å²	55.4	90%	0.896	33%	0.33	S	S	*	.	S	Bend	trans	-72.2	-30.2	174.4	48.8	0	0	0	0	112.1
97	N	93.7	Very high	95.3	Very high	65 Å²	65	55.3 Å²	55.3	35%	0.348	33%	0.327	S	S	.	.			trans	-140.4	144.5	174.1	71.8	-45.9	0	0	0	110.8	F95 P170 G171	F95-N97 VanDerWaalsContact C-N 3.34Å; N97-P170 WeakPolarHBondContact O-CA 3.47Å; N97-P170 WeakPolarHBondContact OD1-CB 3.42Å; N97-G171 WeakPolarHBondContact ND2-CA 3.38Å; N97-G171 PolarHBondContact ND2-N 3.11Å; N97-G171 PolarHBondContact ND2-O 2.86Å; N97-G171 PolarHBondContact O-N 2.92Å; N97-G171 PolarHBondContact OD1-N 2.93Å
98	V	96.4	Very high	95.6	Very high	14 Å²	14	52.4 Å²	52.4	9%	0.085	30%	0.302	C	S	.	.			trans	-118	126.8	173.5	179.6	0	0	0	0	108.6	L69 R90 V92 F95 N167 Y168	L69-V98 HydrophobicContact CD2-CG1 3.73Å; L69-V98 HydrophobicContact CD2-CG2 3.89Å; R90-V98 HydrophobicContact CB-CG1 4.34Å; R90-V98 HydrophobicContact CG-CB 4.16Å; R90-V98 HydrophobicContact CG-CG1 4.19Å; R90-V98 PolarHBondContact NE-O 2.83Å; V92-V98 HydrophobicContact CG2-CG2 4.16Å; F95-V98 HydrophobicContact CB-CG2 4.2Å; V98-N167 HydrophobicContact CG1-CB 3.8Å; V98-Y168 WeakPolarHBondContact CA-O 3.48Å
99	G	95.9	Very high	95.7	Very high	8 Å²	8	49 Å²	49	8%	0.082	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	161	171.8	0	0	0	0	0	110.4	N167 Y168	G99-N167 CarbonylContact O-C 3.51Å; G99-N167 WeakPolarHBondContact O-CA 3.07Å; G99-Y168 PolarHBondContact N-O 2.75Å; G99-Y168 PolarHBondContact O-N 3.42Å
100	Q	97	Very high	95.9	Very high	25 Å²	25	47 Å²	47	12%	0.117	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	138.3	-177.7	-173.6	174.7	83.9	0	0	112.3	D85 V165 C166 N167	D85-Q100 PolarHBondContact OD1-NE2 3.37Å; D85-Q100 PolarHBondContact OD1-OE1 2.81Å; D85-Q100 PolarHBondContact OD2-NE2 3.15Å; Q100-V165 HydrophobicContact CG-CG1 4.01Å; Q100-C166 CarbonylContact C-O 3.53Å; Q100-C166 WeakPolarHBondContact CA-O 3.37Å; Q100-N167 WeakPolarHBondContact CG-OD1 3.46Å; Q100-N167 PolarHBondContact NE2-OD1 3.18Å
101	N	97.4	Very high	96.1	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.011	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	135.9	165.3	-67.8	-4.6	0	0	0	108.8	W115 H136 V165 C166 Y168	N101-W115 HydrophobicContact CB-CD2 3.84Å; N101-W115 HydrophobicContact CB-CE3 4.16Å; N101-W115 HydrophobicContact CB-CG 4.41Å; N101-W115 HydrophobicContact CB-CH2 3.99Å; N101-W115 HydrophobicContact CB-CZ2 3.65Å; N101-W115 HydrophobicContact CB-CZ3 4.23Å; N101-H136 HydrophobicContact CB-CB 4.46Å; N101-H136 WeakPolarHBondContact ND2-CA 3.42Å; N101-H136 PolarHBondContact ND2-O 3.32Å; N101-H136 VanDerWaalsContact ND2-O 3.1Å; N101-H136 WeakPolarHBondContact OD1-CA 3.24Å; N101-H136 PolarHBondContact OD1-CD2 3.35Å; N101-V165 WeakPolarHBondContact O-CA 3.2Å; N101-C166 PolarHBondContact N-O 3.19Å; N101-C166 PolarHBondContact O-N 3.36Å; N101-Y168 HydrophobicContact CB-CE2 3.85Å; N101-Y168 PolarHBondContact ND2-OH 3.36Å
102	W	96.9	Very high	96.2	Very high	39 Å²	39	38.4 Å²	38.4	15%	0.148	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	140.9	173.2	178.3	101.2	0	0	0	109.6	Y81 F82 G104 W115 F160 S163 I164	Y81-W102 PolarHBondContact O-NE1 3.18Å; F82-W102 HydrophobicContact CB-CH2 4.06Å; F82-W102 HydrophobicContact CB-CZ2 4.17Å; F82-W102 AromaticContact CD1-CH2 3.91Å; F82-W102 HydrophobicContact CD1-CH2 3.91Å; F82-W102 AromaticContact CD1-CZ2 3.68Å; F82-W102 HydrophobicContact CD1-CZ2 3.68Å; F82-W102 HydrophobicContact CE1-CZ2 4.46Å; F82-W102 AromaticContact CG-CH2 4Å; F82-W102 HydrophobicContact CG-CH2 4Å; F82-W102 HydrophobicContact CG-CZ2 4.14Å; W102-G104 VanDerWaalsContact CH2-N 3.27Å; W102-G104 VanDerWaalsContact CZ3-N 3.34Å; W102-W115 PolarHBondContact O-NE1 3.42Å; W102-F160 HydrophobicContact CH2-CD2 4.08Å; W102-F160 AromaticContact CH2-CE2 3.95Å; W102-F160 HydrophobicContact CH2-CE2 3.95Å; W102-S163 PolarHBondContact NE1-OG 2.9Å; W102-I164 CarbonylContact C-O 3.39Å; W102-I164 WeakPolarHBondContact CA-O 3.48Å
103	A	96.4	Very high	96.3	Very high	7 Å²	7	41.9 Å²	41.9	6%	0.058	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	133.1	168.7	0	0	0	0	0	111.1	W115 I164	A103-W115 HydrophobicContact CB-CZ2 3.74Å; A103-I164 PolarHBondContact N-O 3.19Å; A103-I164 WeakPolarHBondContact O-CB 3.49Å; A103-I164 PolarHBondContact O-N 3.12Å
104	G	95.4	Very high	96.4	Very high	3 Å²	3	43 Å²	43	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	126.6	153.1	0	0	0	0	0	110.2	W102 R114 F160 L162	W102-G104 VanDerWaalsContact CH2-N 3.27Å; W102-G104 VanDerWaalsContact CZ3-N 3.34Å; G104-R114 PolarHBondContact O-NH1 2.93Å; G104-F160 VanDerWaalsContact CA-CB 3.47Å; G104-L162 WeakPolarHBondContact CA-O 3.17Å
105	A	96	Very high	96.5	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	156.2	171	0	0	0	0	0	112.3	T107 I110 G111 F160 L162 I164	A105-T107 WeakPolarHBondContact CB-O 3.47Å; A105-T107 PolarHBondContact O-N 3.3Å; A105-I110 HydrophobicContact CB-CB 4.1Å; A105-I110 HydrophobicContact CB-CG2 3.92Å; A105-G111 VanDerWaalsContact CB-N 3.3Å; A105-F160 CarbonylContact C-O 3.56Å; A105-L162 PolarHBondContact N-O 3.38Å; A105-L162 VanDerWaalsContact O-CB 3.24Å; A105-L162 WeakPolarHBondContact O-CB 3.37Å; A105-L162 WeakPolarHBondContact O-CG 3.11Å; A105-L162 PolarHBondContact O-N 3Å; A105-I164 HydrophobicContact CB-CD1 3.98Å
106	S	95.5	Very high	96.7	Very high	64 Å²	64	38.6 Å²	38.6	45%	0.448	20%	0.204	S	C	.	.	S	Bend	trans	-67.7	-20	-179.7	50.2	0	0	0	0	114.4	I110 F160	S106-I110 WeakPolarHBondContact OG-CD1 3.36Å; S106-F160 PolarHBondContact N-O 3.16Å
107	T	96.4	Very high	96.9	Very high	50 Å²	50	34.2 Å²	34.2	31%	0.307	18%	0.175	S	C	.	.	S	Bend	trans	-144.6	161.1	170	85.1	0	0	0	0	110.4	A105 E109 I110 G111	A105-T107 WeakPolarHBondContact CB-O 3.47Å; A105-T107 PolarHBondContact O-N 3.3Å; T107-E109 VanDerWaalsContact C-N 3.3Å; T107-E109 WeakPolarHBondContact CB-OE2 3.22Å; T107-E109 PolarHBondContact O-N 2.84Å; T107-E109 PolarHBondContact OG1-N 2.97Å; T107-E109 PolarHBondContact OG1-OE2 3.23Å; T107-I110 HydrophobicContact CG2-CD1 4.3Å; T107-I110 PolarHBondContact O-N 3.21Å; T107-I110 PolarHBondContact OG1-N 2.96Å; T107-G111 PolarHBondContact O-N 3.29Å; T107-G111 VanDerWaalsContact O-N 3.09Å
108	V	97.7	Very high	97	Very high	10 Å²	10	32.2 Å²	32.2	6%	0.061	16%	0.163	C	C	.	.	H	α-helix	trans	-62.5	-33.9	177.4	-65	0	0	0	0	113.2	T31 K34 L35 G111 F112 V152 L162 I164	T31-V108 HydrophobicContact CG2-CG1 3.95Å; K34-V108 HydrophobicContact CD-CG2 3.65Å; L35-V108 HydrophobicContact CD2-CB 4.15Å; V108-G111 PolarHBondContact O-N 3.26Å; V108-F112 VanDerWaalsContact O-CB 3.32Å; V108-F112 WeakPolarHBondContact O-CB 3.34Å; V108-F112 PolarHBondContact O-N 3.19Å; V108-V152 HydrophobicContact CG1-CG1 4.22Å; V108-V152 HydrophobicContact CG1-CG2 3.91Å; V108-L162 HydrophobicContact CG1-CD1 4.5Å; V108-I164 HydrophobicContact CG1-CD1 4.41Å; V108-I164 HydrophobicContact CG1-CG1 4.34Å
109	E	98.2	Very high	96.9	Very high	71 Å²	71	33 Å²	33	33%	0.332	17%	0.165	S	C	.	.	H	α-helix	trans	-66.6	-41.2	177.3	-55.9	85.2	170.6	0	0	111.4	K34 T107 Q113	K34-E109 HydrophobicContact CD-CG 4.33Å; K34-E109 VanDerWaalsContact CD-OE1 3.24Å; K34-E109 WeakPolarHBondContact CD-OE1 3.45Å; K34-E109 WeakPolarHBondContact CE-OE1 3.17Å; K34-E109 IonicContact NZ-OE1 2.79Å; K34-E109 PolarHBondContact NZ-OE1 3.24Å; T107-E109 VanDerWaalsContact C-N 3.3Å; T107-E109 WeakPolarHBondContact CB-OE2 3.22Å; T107-E109 PolarHBondContact O-N 2.84Å; T107-E109 PolarHBondContact OG1-N 2.97Å; T107-E109 PolarHBondContact OG1-OE2 3.23Å; E109-Q113 WeakPolarHBondContact O-CB 3.45Å; E109-Q113 PolarHBondContact O-N 3.23Å
110	I	98	Very high	96.6	Very high	71 Å²	71	36.9 Å²	36.9	36%	0.364	18%	0.18	S	C	.	.	H	α-helix	trans	-68	-41	177	-65.6	169.1	0	0	0	110.3	A105 S106 T107 Q113 R114	A105-I110 HydrophobicContact CB-CB 4.1Å; A105-I110 HydrophobicContact CB-CG2 3.92Å; S106-I110 WeakPolarHBondContact OG-CD1 3.36Å; T107-I110 HydrophobicContact CG2-CD1 4.3Å; T107-I110 PolarHBondContact O-N 3.21Å; T107-I110 PolarHBondContact OG1-N 2.96Å; I110-Q113 PolarHBondContact O-N 2.78Å; I110-R114 VanDerWaalsContact O-CG 3.3Å; I110-R114 WeakPolarHBondContact O-CG 3.45Å; I110-R114 PolarHBondContact O-N 3.18Å
111	G	97.7	Very high	96.1	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-60.4	-50.9	174.7	0	0	0	0	0	112.1	A105 T107 V108 Q113 R114 W115	A105-G111 VanDerWaalsContact CB-N 3.3Å; T107-G111 PolarHBondContact O-N 3.29Å; T107-G111 VanDerWaalsContact O-N 3.09Å; V108-G111 PolarHBondContact O-N 3.26Å; G111-Q113 PolarHBondContact O-N 3.44Å; G111-R114 WeakPolarHBondContact O-CB 3.49Å; G111-R114 PolarHBondContact O-N 3.37Å; G111-W115 PolarHBondContact O-N 3.4Å
112	F	98.7	Very high	95.6	Very high	5 Å²	5	38.3 Å²	38.3	2%	0.022	19%	0.187	C	C	.	.	H	α-helix	trans	-60.7	-44.4	176.2	178.3	-94.5	0	0	0	112.6	L38 H39 A42 V108 R114 W115 L116 I140	L38-F112 HydrophobicContact CB-CD1 3.79Å; L38-F112 HydrophobicContact CB-CD2 3.98Å; L38-F112 HydrophobicContact CB-CE1 3.77Å; L38-F112 HydrophobicContact CB-CE2 3.97Å; L38-F112 HydrophobicContact CB-CG 3.9Å; L38-F112 HydrophobicContact CB-CZ 3.87Å; L38-F112 HydrophobicContact CD1-CB 4.04Å; L38-F112 HydrophobicContact CD1-CD1 4.16Å; L38-F112 HydrophobicContact CD1-CG 4.03Å; L38-F112 HydrophobicContact CD2-CD1 3.95Å; L38-F112 HydrophobicContact CD2-CE1 4.19Å; L38-F112 HydrophobicContact CG-CD1 4.19Å; L38-F112 HydrophobicContact CG-CE1 4.49Å; L38-F112 HydrophobicContact CG-CG 4.41Å; L38-F112 WeakPolarHBondContact O-CZ 3.31Å; H39-F112 HydrophobicContact CB-CE2 4.48Å; H39-F112 AromaticContact CD2-CE2 3.79Å; H39-F112 AromaticContact CE1-CD2 3.63Å; H39-F112 AromaticContact CE1-CE2 3.65Å; H39-F112 AromaticContact CG-CE2 3.8Å; H39-F112 AromaticContact ND1-CD2 3.98Å; H39-F112 AromaticContact ND1-CE2 3.71Å; H39-F112 AromaticContact NE2-CD2 3.92Å; H39-F112 AromaticContact NE2-CE2 3.67Å; A42-F112 HydrophobicContact CB-CZ 3.91Å; V108-F112 VanDerWaalsContact O-CB 3.32Å; V108-F112 WeakPolarHBondContact O-CB 3.34Å; V108-F112 PolarHBondContact O-N 3.19Å; F112-R114 VanDerWaalsContact C-N 3.26Å; F112-R114 PolarHBondContact O-N 2.71Å; F112-W115 HydrophobicContact CD2-CE3 4.11Å; F112-W115 WeakPolarHBondContact O-CB 3.48Å; F112-W115 PolarHBondContact O-N 3.11Å; F112-W115 VanDerWaalsContact O-N 3.14Å; F112-L116 HydrophobicContact CE1-CB 4.2Å; F112-L116 HydrophobicContact CE1-CD2 3.92Å; F112-L116 HydrophobicContact CZ-CD2 4.5Å; F112-L116 PolarHBondContact O-N 3.02Å; F112-I140 HydrophobicContact CD2-CD1 4.45Å; F112-I140 HydrophobicContact CE2-CD1 3.9Å; F112-I140 HydrophobicContact CE2-CG1 4.37Å; F112-I140 HydrophobicContact CE2-CG2 4.42Å; F112-I140 HydrophobicContact CZ-CD1 4.38Å; F112-I140 HydrophobicContact CZ-CG2 4.47Å
113	Q	98.3	Very high	95.1	Very high	81 Å²	81	37.2 Å²	37.2	38%	0.379	18%	0.184	S	C	.	.	H	α-helix	trans	-67.1	-27.8	-178.9	-170	59	47.7	0	0	112.2	E109 I110 G111 N117	E109-Q113 WeakPolarHBondContact O-CB 3.45Å; E109-Q113 PolarHBondContact O-N 3.23Å; I110-Q113 PolarHBondContact O-N 2.78Å; G111-Q113 PolarHBondContact O-N 3.44Å; Q113-N117 PolarHBondContact NE2-OD1 3.07Å; Q113-N117 WeakPolarHBondContact O-CB 3.36Å; Q113-N117 PolarHBondContact O-N 2.95Å; Q113-N117 PolarHBondContact O-ND2 3.19Å; Q113-N117 VanDerWaalsContact O-ND2 3.11Å
114	R	97.3	Very high	94.7	Very high	129 Å²	129	37.1 Å²	37.1	49%	0.487	18%	0.183	S	C	.	.	H	α-helix	trans	-62.6	-49	169.5	-74.2	167.4	177.4	-160.9	-6.3	111.1	G104 I110 G111 F112	G104-R114 PolarHBondContact O-NH1 2.93Å; I110-R114 VanDerWaalsContact O-CG 3.3Å; I110-R114 WeakPolarHBondContact O-CG 3.45Å; I110-R114 PolarHBondContact O-N 3.18Å; G111-R114 WeakPolarHBondContact O-CB 3.49Å; G111-R114 PolarHBondContact O-N 3.37Å; F112-R114 VanDerWaalsContact C-N 3.26Å; F112-R114 PolarHBondContact O-N 2.71Å
115	W	97.8	Very high	94.1	Very high	3 Å²	3	38.8 Å²	38.8	1%	0.011	19%	0.189	C	C	.	.	H	α-helix	trans	-60.8	-46.4	175.4	-60.4	-29.5	0	0	0	112.5	N101 W102 A103 G111 F112 E118 H136 Y137 I140 I164 C166	N101-W115 HydrophobicContact CB-CD2 3.84Å; N101-W115 HydrophobicContact CB-CE3 4.16Å; N101-W115 HydrophobicContact CB-CG 4.41Å; N101-W115 HydrophobicContact CB-CH2 3.99Å; N101-W115 HydrophobicContact CB-CZ2 3.65Å; N101-W115 HydrophobicContact CB-CZ3 4.23Å; W102-W115 PolarHBondContact O-NE1 3.42Å; A103-W115 HydrophobicContact CB-CZ2 3.74Å; G111-W115 PolarHBondContact O-N 3.4Å; F112-W115 HydrophobicContact CD2-CE3 4.11Å; F112-W115 WeakPolarHBondContact O-CB 3.48Å; F112-W115 PolarHBondContact O-N 3.11Å; F112-W115 VanDerWaalsContact O-N 3.14Å; W115-E118 WeakPolarHBondContact O-CG 3.33Å; W115-E118 PolarHBondContact O-N 3.22Å; W115-H136 HydrophobicContact CB-CB 3.63Å; W115-H136 AromaticContact CD1-CE1 3.91Å; W115-H136 AromaticContact CD1-CG 3.47Å; W115-H136 VanDerWaalsContact CD1-CG 3.47Å; W115-H136 AromaticContact CD1-ND1 3.44Å; W115-H136 HydrophobicContact CG-CB 3.7Å; W115-Y137 WeakPolarHBondContact O-CB 3.48Å; W115-Y137 PolarHBondContact O-N 2.87Å; W115-I140 HydrophobicContact CB-CD1 3.67Å; W115-I164 HydrophobicContact CH2-CG2 3.89Å; W115-I164 HydrophobicContact CZ2-CG2 4.44Å; W115-C166 HydrophobicContact CH2-CB 4.07Å; W115-C166 HydrophobicContact CZ3-CB 4.2Å
116	L	98.3	Very high	93.4	Very high	16 Å²	16	41.2 Å²	41.2	8%	0.084	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-45	-179.6	179.9	57.6	0	0	0	111.4	A42 L51 F112 E118 Y119 Y137	A42-L116 HydrophobicContact CB-CD1 3.85Å; A42-L116 HydrophobicContact CB-CD2 4.24Å; L51-L116 HydrophobicContact CD1-CD1 4.03Å; F112-L116 HydrophobicContact CE1-CB 4.2Å; F112-L116 HydrophobicContact CE1-CD2 3.92Å; F112-L116 HydrophobicContact CZ-CD2 4.5Å; F112-L116 PolarHBondContact O-N 3.02Å; L116-E118 PolarHBondContact O-N 3.45Å; L116-Y119 HydrophobicContact CD1-CD1 4.34Å; L116-Y119 HydrophobicContact CG-CD1 4.37Å; L116-Y119 WeakPolarHBondContact O-CD1 3.36Å; L116-Y119 PolarHBondContact O-N 3.37Å; L116-Y137 HydrophobicContact CD1-CD2 4.2Å; L116-Y137 HydrophobicContact CD1-CE2 4.49Å
117	N	96.6	Very high	92.9	Very high	54 Å²	54	42.3 Å²	42.3	29%	0.289	20%	0.196	S	C	.	.	H	α-helix	trans	-56.5	-19.5	-177.7	-87.3	-31.5	0	0	0	114.3	Q113 Y119 K120	Q113-N117 PolarHBondContact NE2-OD1 3.07Å; Q113-N117 WeakPolarHBondContact O-CB 3.36Å; Q113-N117 PolarHBondContact O-N 2.95Å; Q113-N117 PolarHBondContact O-ND2 3.19Å; Q113-N117 VanDerWaalsContact O-ND2 3.11Å; N117-Y119 PolarHBondContact O-N 3.12Å; N117-Y119 VanDerWaalsContact O-N 3.12Å; N117-K120 WeakPolarHBondContact O-CB 3.3Å; N117-K120 WeakPolarHBondContact O-CG 3.46Å; N117-K120 PolarHBondContact O-N 2.95Å; N117-K120 WeakPolarHBondContact OD1-CE 3.43Å; N117-K120 PolarHBondContact OD1-NZ 3.38Å
118	E	95.7	Very high	92.4	Very high	23 Å²	23	44.3 Å²	44.3	11%	0.107	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-59.8	-19.2	174.7	-53.6	-178.7	160.4	0	0	113	W115 L116 K120 N121 Y122 R133 C134 S135 H136 Y137	W115-E118 WeakPolarHBondContact O-CG 3.33Å; W115-E118 PolarHBondContact O-N 3.22Å; L116-E118 PolarHBondContact O-N 3.45Å; E118-K120 PolarHBondContact O-N 3.1Å; E118-N121 PolarHBondContact O-N 2.8Å; E118-Y122 PolarHBondContact O-N 2.76Å; E118-R133 WeakPolarHBondContact CB-O 3.44Å; E118-R133 VanDerWaalsContact CG-O 3.23Å; E118-R133 WeakPolarHBondContact CG-O 3.49Å; E118-C134 HydrophobicContact CB-CB 4.46Å; E118-C134 WeakPolarHBondContact OE2-CA 3.48Å; E118-S135 PolarHBondContact OE2-N 3.48Å; E118-H136 IonicContact OE1-CE1 3.68Å; E118-H136 IonicContact OE1-CG 3.55Å; E118-H136 IonicContact OE1-ND1 2.71Å; E118-H136 PolarHBondContact OE1-ND1 3.39Å; E118-H136 WeakPolarHBondContact OE2-CA 3.31Å; E118-H136 VanDerWaalsContact OE2-CB 3.31Å; E118-H136 WeakPolarHBondContact OE2-CB 3.47Å; E118-H136 IonicContact OE2-CG 3.74Å; E118-H136 PolarHBondContact OE2-N 2.95Å; E118-H136 IonicContact OE2-ND1 3.7Å; E118-Y137 PolarHBondContact OE2-N 3.37Å; E118-Y137 VanDerWaalsContact OE2-N 3.11Å
119	Y	93.1	Very high	91.7	Very high	31 Å²	31	46.1 Å²	46.1	12%	0.122	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-52.8	-30.1	171.4	86.5	-109.4	0	0	0	112.4	L51 E52 Q54 L116 N117 N121 Y122	L51-Y119 HydrophobicContact CB-CD1 4.41Å; L51-Y119 HydrophobicContact CB-CD2 4.01Å; L51-Y119 HydrophobicContact CB-CE1 4.48Å; L51-Y119 HydrophobicContact CB-CE2 4.09Å; L51-Y119 HydrophobicContact CB-CG 4.22Å; L51-Y119 HydrophobicContact CD1-CD1 3.94Å; L51-Y119 HydrophobicContact CD1-CG 4.06Å; L51-Y119 HydrophobicContact CD2-CD1 4.13Å; L51-Y119 HydrophobicContact CD2-CE1 3.9Å; L51-Y119 HydrophobicContact CG-CD1 4.39Å; E52-Y119 WeakPolarHBondContact O-CE2 3.45Å; Q54-Y119 HydrophobicContact CG-CD2 4.07Å; Q54-Y119 HydrophobicContact CG-CG 4.48Å; Q54-Y119 PolarHBondContact NE2-O 3.1Å; L116-Y119 HydrophobicContact CD1-CD1 4.34Å; L116-Y119 HydrophobicContact CG-CD1 4.37Å; L116-Y119 WeakPolarHBondContact O-CD1 3.36Å; L116-Y119 PolarHBondContact O-N 3.37Å; N117-Y119 PolarHBondContact O-N 3.12Å; N117-Y119 VanDerWaalsContact O-N 3.12Å; Y119-N121 PolarHBondContact O-N 2.73Å; Y119-Y122 PolarHBondContact O-N 3.33Å
120	K	90.1	Very high	91	Very high	89 Å²	89	46.4 Å²	46.4	39%	0.387	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-68.2	-18.8	-179.4	-63.4	170	177.3	168	0	112.7	N117 E118 Y198 Y202	N117-K120 WeakPolarHBondContact O-CB 3.3Å; N117-K120 WeakPolarHBondContact O-CG 3.46Å; N117-K120 PolarHBondContact O-N 2.95Å; N117-K120 WeakPolarHBondContact OD1-CE 3.43Å; N117-K120 PolarHBondContact OD1-NZ 3.38Å; E118-K120 PolarHBondContact O-N 3.1Å; K120-Y198 PolarHBondContact O-OH 3.25Å; K120-Y202 PolarHBondContact O-OH 2.92Å
121	N	87.2	Confident	90.1	Very high	44 Å²	44	47.2 Å²	47.2	24%	0.235	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-109.5	-5.6	-179.7	-59.8	-22.3	0	0	0	112.6	E118 Y119 L130 V131 Y198	E118-N121 PolarHBondContact O-N 2.8Å; Y119-N121 PolarHBondContact O-N 2.73Å; N121-L130 PolarHBondContact O-N 3.09Å; N121-V131 PolarHBondContact ND2-O 3.29Å; N121-Y198 WeakPolarHBondContact CA-OH 3.42Å; N121-Y198 PolarHBondContact O-OH 2.73Å
122	Y	86.2	Confident	89.5	Confident	14 Å²	14	50.9 Å²	50.9	6%	0.055	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	119.1	-177.1	-171.9	-114.7	0	0	0	111.4	Q54 E118 Y119 F124 L128 C134 Y137 T138 P179 Y198	Q54-Y122 PolarHBondContact NE2-O 3.14Å; E118-Y122 PolarHBondContact O-N 2.76Å; Y119-Y122 PolarHBondContact O-N 3.33Å; Y122-F124 HydrophobicContact CD1-CB 4.26Å; Y122-F124 HydrophobicContact CE1-CB 4.05Å; Y122-F124 AromaticContact CE1-CD2 4Å; Y122-F124 HydrophobicContact CE1-CD2 4Å; Y122-F124 HydrophobicContact CE1-CG 4.36Å; Y122-F124 PolarHBondContact O-N 2.88Å; Y122-L128 WeakPolarHBondContact CD2-O 3.32Å; Y122-C134 HydrophobicContact CD2-CB 3.76Å; Y122-C134 HydrophobicContact CG-CB 4.32Å; Y122-Y137 HydrophobicContact CD1-CD1 4.23Å; Y122-Y137 AromaticContact CD1-CE1 3.8Å; Y122-Y137 HydrophobicContact CD1-CE1 3.8Å; Y122-Y137 HydrophobicContact CG-CD1 4.25Å; Y122-Y137 HydrophobicContact CG-CE1 4.24Å; Y122-T138 HydrophobicContact CD1-CG2 4.33Å; Y122-T138 HydrophobicContact CD2-CG2 4.02Å; Y122-T138 HydrophobicContact CE1-CG2 3.98Å; Y122-T138 HydrophobicContact CE2-CG2 3.67Å; Y122-T138 HydrophobicContact CG-CG2 4.34Å; Y122-P179 HydrophobicContact CE1-CG 4.06Å; Y122-P179 WeakPolarHBondContact OH-CD 3.45Å; Y122-Y198 PolarHBondContact N-OH 3.02Å
123	D	85.7	Confident	89.1	Confident	15 Å²	15	57.1 Å²	57.1	8%	0.08	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	99.3	165.7	-174.1	-35.7	0	0	0	109	F125 N126 R127 L128 L130	D123-F125 VanDerWaalsContact C-N 3.31Å; D123-F125 PolarHBondContact O-N 3.47Å; D123-F125 PolarHBondContact OD1-N 3.06Å; D123-N126 HydrophobicContact CB-CB 4.44Å; D123-N126 VanDerWaalsContact CG-ND2 3.26Å; D123-N126 PolarHBondContact OD1-N 3.33Å; D123-N126 PolarHBondContact OD1-ND2 3.47Å; D123-N126 PolarHBondContact OD2-ND2 2.9Å; D123-R127 VanDerWaalsContact O-CA 3.29Å; D123-R127 WeakPolarHBondContact O-CA 3.24Å; D123-R127 PolarHBondContact O-N 3.26Å; D123-L128 PolarHBondContact N-O 3.28Å; D123-L128 PolarHBondContact O-N 3.35Å; D123-L128 VanDerWaalsContact O-N 3.12Å; D123-L130 HydrophobicContact CB-CD1 3.79Å; D123-L130 HydrophobicContact CB-CG 4.17Å
124	F	88.7	Confident	88.8	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.026	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-41.6	-179.9	-175	-80.5	0	0	0	113.3	P55 Y122 R127 F178 P179 Y180 V182	P55-F124 HydrophobicContact CG-CB 4.02Å; P55-F124 HydrophobicContact CG-CD1 3.41Å; P55-F124 VanDerWaalsContact CG-CD1 3.41Å; P55-F124 HydrophobicContact CG-CD2 3.7Å; P55-F124 HydrophobicContact CG-CE1 3.69Å; P55-F124 HydrophobicContact CG-CE2 3.98Å; P55-F124 HydrophobicContact CG-CG 3.42Å; P55-F124 VanDerWaalsContact CG-CG 3.42Å; P55-F124 HydrophobicContact CG-CZ 3.97Å; Y122-F124 HydrophobicContact CD1-CB 4.26Å; Y122-F124 HydrophobicContact CE1-CB 4.05Å; Y122-F124 AromaticContact CE1-CD2 4Å; Y122-F124 HydrophobicContact CE1-CD2 4Å; Y122-F124 HydrophobicContact CE1-CG 4.36Å; Y122-F124 PolarHBondContact O-N 2.88Å; F124-R127 WeakPolarHBondContact O-CG 3.37Å; F124-R127 PolarHBondContact O-N 3.36Å; F124-F178 AromaticContact CD1-CD1 3.8Å; F124-F178 HydrophobicContact CD1-CD1 3.8Å; F124-F178 AromaticContact CD1-CE1 3.94Å; F124-F178 HydrophobicContact CD1-CE1 3.94Å; F124-F178 AromaticContact CE1-CD1 3.29Å; F124-F178 HydrophobicContact CE1-CD1 3.29Å; F124-F178 AromaticContact CE1-CE1 3.66Å; F124-F178 HydrophobicContact CE1-CE1 3.66Å; F124-F178 HydrophobicContact CE1-CG 4.19Å; F124-F178 HydrophobicContact CE2-CD1 4.38Å; F124-F178 HydrophobicContact CZ-CB 4.08Å; F124-F178 AromaticContact CZ-CD1 3.62Å; F124-F178 HydrophobicContact CZ-CD1 3.62Å; F124-F178 HydrophobicContact CZ-CE1 4.43Å; F124-F178 HydrophobicContact CZ-CG 4.19Å; F124-F178 WeakPolarHBondContact O-CD1 3.49Å; F124-F178 VanDerWaalsContact O-CE1 3.23Å; F124-F178 WeakPolarHBondContact O-CE1 3.12Å; F124-P179 HydrophobicContact CD2-CG 4.19Å; F124-P179 HydrophobicContact CE2-CG 3.89Å; F124-Y180 HydrophobicContact CD2-CE1 4.04Å; F124-Y180 HydrophobicContact CD2-CE2 4.2Å; F124-Y180 AromaticContact CD2-CZ 3.72Å; F124-Y180 HydrophobicContact CE2-CD1 4.02Å; F124-Y180 AromaticContact CE2-CD2 3.8Å; F124-Y180 HydrophobicContact CE2-CD2 3.8Å; F124-Y180 AromaticContact CE2-CE1 3.62Å; F124-Y180 HydrophobicContact CE2-CE1 3.62Å; F124-Y180 AromaticContact CE2-CE2 3.43Å; F124-Y180 HydrophobicContact CE2-CE2 3.43Å; F124-Y180 VanDerWaalsContact CE2-CE2 3.43Å; F124-Y180 HydrophobicContact CE2-CG 4.1Å; F124-Y180 AromaticContact CE2-CZ 3.32Å; F124-Y180 HydrophobicContact CZ-CD2 4.08Å; F124-Y180 AromaticContact CZ-CE2 3.89Å; F124-Y180 HydrophobicContact CZ-CE2 3.89Å; F124-Y180 WeakPolarHBondContact CZ-O 3.48Å; F124-V182 HydrophobicContact CD1-CG2 4.37Å; F124-V182 HydrophobicContact CE1-CG2 3.38Å; F124-V182 HydrophobicContact CZ-CG2 3.47Å; F124-V182 VanDerWaalsContact CZ-CG2 3.47Å
125	F	82.7	Confident	88.6	Confident	37 Å²	37	50.3 Å²	50.3	16%	0.162	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-32.7	-171	-61.7	-69.9	0	0	0	112.8	P55 D123 R127 Y186 I191	P55-F125 HydrophobicContact CB-CZ 3.93Å; P55-F125 HydrophobicContact CG-CE1 4.41Å; P55-F125 HydrophobicContact CG-CZ 3.94Å; D123-F125 VanDerWaalsContact C-N 3.31Å; D123-F125 PolarHBondContact O-N 3.47Å; D123-F125 PolarHBondContact OD1-N 3.06Å; F125-R127 PolarHBondContact O-NH1 2.65Å; F125-Y186 AromaticContact CE1-CD1 3.61Å; F125-Y186 HydrophobicContact CE1-CD1 3.61Å; F125-Y186 HydrophobicContact CE1-CE1 4.27Å; F125-Y186 HydrophobicContact CE1-CG 4.15Å; F125-Y186 HydrophobicContact CE2-CD1 4.16Å; F125-Y186 HydrophobicContact CE2-CE1 4.03Å; F125-Y186 AromaticContact CZ-CD1 3.19Å; F125-Y186 HydrophobicContact CZ-CD1 3.19Å; F125-Y186 AromaticContact CZ-CE1 3.39Å; F125-Y186 HydrophobicContact CZ-CE1 3.39Å; F125-Y186 HydrophobicContact CZ-CG 4.02Å; F125-I191 HydrophobicContact CB-CD1 4.26Å; F125-I191 HydrophobicContact CB-CG1 4.24Å; F125-I191 HydrophobicContact CB-CG2 3.73Å; F125-I191 HydrophobicContact CD1-CD1 3.65Å; F125-I191 HydrophobicContact CD1-CG1 3.64Å; F125-I191 HydrophobicContact CD2-CG1 4.36Å; F125-I191 HydrophobicContact CE1-CD1 4.35Å; F125-I191 HydrophobicContact CE1-CG1 4.11Å; F125-I191 HydrophobicContact CG-CB 4.42Å; F125-I191 HydrophobicContact CG-CD1 4.09Å; F125-I191 HydrophobicContact CG-CG1 3.79Å; F125-I191 HydrophobicContact CG-CG2 4.1Å
126	N	82.4	Confident	88.5	Confident	53 Å²	53	51 Å²	51	28%	0.283	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-13.1	172.3	-62	-62.5	0	0	0	112.3	D123 L128	D123-N126 HydrophobicContact CB-CB 4.44Å; D123-N126 VanDerWaalsContact CG-ND2 3.26Å; D123-N126 PolarHBondContact OD1-N 3.33Å; D123-N126 PolarHBondContact OD1-ND2 3.47Å; D123-N126 PolarHBondContact OD2-ND2 2.9Å; N126-L128 VanDerWaalsContact C-N 3.32Å; N126-L128 HydrophobicContact CB-CB 4.5Å; N126-L128 HydrophobicContact CB-CD1 3.9Å; N126-L128 HydrophobicContact CB-CG 4Å
127	R	85	Confident	88.4	Confident	86 Å²	86	50.2 Å²	50.2	33%	0.325	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	43	-174.9	-61.9	164.9	-59.7	-58	-11.6	111.7	D123 F124 F125 R176 Q177 F178	D123-R127 VanDerWaalsContact O-CA 3.29Å; D123-R127 WeakPolarHBondContact O-CA 3.24Å; D123-R127 PolarHBondContact O-N 3.26Å; F124-R127 WeakPolarHBondContact O-CG 3.37Å; F124-R127 PolarHBondContact O-N 3.36Å; F125-R127 PolarHBondContact O-NH1 2.65Å; R127-R176 WeakPolarHBondContact CD-O 3.37Å; R127-R176 PolarHBondContact NE-O 2.76Å; R127-Q177 WeakPolarHBondContact CD-O 3.12Å; R127-F178 HydrophobicContact CG-CD1 3.75Å; R127-F178 HydrophobicContact CG-CE1 3.81Å; R127-F178 HydrophobicContact CG-CG 4.34Å; R127-F178 HydrophobicContact CG-CZ 4.43Å
128	L	84.3	Confident	88.4	Confident	93 Å²	93	48.2 Å²	48.2	49%	0.487	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.2	-176.6	-65	177.5	0	0	0	110.6	Y122 D123 N126 L130	Y122-L128 WeakPolarHBondContact CD2-O 3.32Å; D123-L128 PolarHBondContact N-O 3.28Å; D123-L128 PolarHBondContact O-N 3.35Å; D123-L128 VanDerWaalsContact O-N 3.12Å; N126-L128 VanDerWaalsContact C-N 3.32Å; N126-L128 HydrophobicContact CB-CB 4.5Å; N126-L128 HydrophobicContact CB-CD1 3.9Å; N126-L128 HydrophobicContact CB-CG 4Å; L128-L130 HydrophobicContact CB-CD2 4.46Å
129	C	84.2	Confident	88.5	Confident	48 Å²	48	47.6 Å²	47.6	32%	0.324	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	120.5	158.6	-161.5	0	0	0	0	108.1	V131 R133 C134	C129-V131 PolarHBondContact SG-O 3.4Å; C129-V131 VanDerWaalsContact SG-O 3.36Å; C129-R133 PolarHBondContact SG-O 2.84Å; C129-C134 WeakPolarHBondContact CA-SG 3.31Å; C129-C134 HydrophobicContact CB-CB 3.56Å; C129-C134 WeakPolarHBondContact CB-SG 3.3Å; C129-C134 WeakPolarHBondContact SG-CB 3.16Å; C129-C134 PolarHBondContact SG-N 3.23Å; C129-C134 CovalentContact SG-SG 2.04Å; C129-C134 PolarHBondContact SG-SG 3.4Å
130	L	82.3	Confident	88.7	Confident	77 Å²	77	46.1 Å²	46.1	40%	0.403	25%	0.251	S	S	.	.	S	Bend	trans	-85.5	-22.3	-173.6	-69	171.5	0	0	0	112.9	N121 D123 L128 Y198	N121-L130 PolarHBondContact O-N 3.09Å; D123-L130 HydrophobicContact CB-CD1 3.79Å; D123-L130 HydrophobicContact CB-CG 4.17Å; L128-L130 HydrophobicContact CB-CD2 4.46Å; L130-Y198 HydrophobicContact CB-CE1 4.38Å; L130-Y198 HydrophobicContact CD1-CD1 3.33Å; L130-Y198 HydrophobicContact CD1-CD2 4.24Å; L130-Y198 HydrophobicContact CD1-CE1 3.18Å; L130-Y198 HydrophobicContact CD1-CE2 4.1Å; L130-Y198 HydrophobicContact CD1-CG 3.87Å; L130-Y198 HydrophobicContact CG-CE1 4.37Å
131	V	79.9	Confident	89.1	Confident	88 Å²	88	41.9 Å²	41.9	53%	0.533	23%	0.232	S	C	.	.	S	Bend	trans	-144.9	127.9	170.7	-177.1	0	0	0	0	109.6	N121 C129	N121-V131 PolarHBondContact ND2-O 3.29Å; C129-V131 PolarHBondContact SG-O 3.4Å; C129-V131 VanDerWaalsContact SG-O 3.36Å
132	G	85.8	Confident	89.5	Confident	76 Å²	76	40.4 Å²	40.4	78%	0.784	22%	0.223	S	C	*	.	S	Bend	trans	70.3	-127.5	171.4	0	0	0	0	0	113.7
133	R	88.2	Confident	90	Very high	137 Å²	137	42.2 Å²	42.2	52%	0.517	23%	0.232	S	C	.	.			trans	-114.7	141.7	-176.2	-175.2	-179.6	-71.7	-171	4.1	110.1	E118 C129 S135 H136	E118-R133 WeakPolarHBondContact CB-O 3.44Å; E118-R133 VanDerWaalsContact CG-O 3.23Å; E118-R133 WeakPolarHBondContact CG-O 3.49Å; C129-R133 PolarHBondContact SG-O 2.84Å; R133-S135 WeakPolarHBondContact CD-OG 3.35Å; R133-S135 VanDerWaalsContact CG-OG 3.22Å; R133-S135 WeakPolarHBondContact CG-OG 3.27Å; R133-H136 WeakPolarHBondContact CD-CE1 3.25Å; R133-H136 WeakPolarHBondContact CD-ND1 3.27Å; R133-H136 PolarHBondContact NH1-CE1 3.42Å; R133-H136 VanDerWaalsContact NH1-CE1 3.25Å; R133-H136 PolarHBondContact NH1-NE2 3.07Å
134	C	92.7	Very high	90.4	Very high	7 Å²	7	46.6 Å²	46.6	5%	0.047	26%	0.256	C	S	.	.			trans	-131.6	1.4	173.2	-59.6	0	0	0	0	112.9	E118 Y122 C129 H136 Y137 T138	E118-C134 HydrophobicContact CB-CB 4.46Å; E118-C134 WeakPolarHBondContact OE2-CA 3.48Å; Y122-C134 HydrophobicContact CD2-CB 3.76Å; Y122-C134 HydrophobicContact CG-CB 4.32Å; C129-C134 WeakPolarHBondContact CA-SG 3.31Å; C129-C134 HydrophobicContact CB-CB 3.56Å; C129-C134 WeakPolarHBondContact CB-SG 3.3Å; C129-C134 WeakPolarHBondContact SG-CB 3.16Å; C129-C134 PolarHBondContact SG-N 3.23Å; C129-C134 CovalentContact SG-SG 2.04Å; C129-C134 PolarHBondContact SG-SG 3.4Å; C134-H136 VanDerWaalsContact C-N 3.29Å; C134-H136 PolarHBondContact O-N 3.34Å; C134-Y137 PolarHBondContact O-N 3.01Å; C134-T138 WeakPolarHBondContact O-CG2 3.33Å; C134-T138 PolarHBondContact O-N 2.92Å; C134-T138 PolarHBondContact O-OG1 3.01Å
135	S	93.3	Very high	90.8	Very high	60 Å²	60	46.3 Å²	46.3	42%	0.42	25%	0.254	S	S	.	.	H	α-helix	trans	-63.8	-35.6	-176.3	55.5	0	0	0	0	111.7	E118 R133 T138 Q139	E118-S135 PolarHBondContact OE2-N 3.48Å; R133-S135 WeakPolarHBondContact CD-OG 3.35Å; R133-S135 VanDerWaalsContact CG-OG 3.22Å; R133-S135 WeakPolarHBondContact CG-OG 3.27Å; S135-T138 WeakPolarHBondContact CA-OG1 3.45Å; S135-T138 PolarHBondContact O-N 2.88Å; S135-T138 PolarHBondContact O-OG1 3.07Å; S135-Q139 WeakPolarHBondContact O-CB 3.3Å; S135-Q139 PolarHBondContact O-N 3.46Å
136	H	96.3	Very high	91.5	Very high	17 Å²	17	47.3 Å²	47.3	8%	0.079	26%	0.264	C	S	.	.	H	α-helix	trans	-69.6	-44.5	-178.4	-49.1	132.9	0	0	0	111.1	N101 W115 E118 R133 C134 Q139 I140	N101-H136 HydrophobicContact CB-CB 4.46Å; N101-H136 WeakPolarHBondContact ND2-CA 3.42Å; N101-H136 PolarHBondContact ND2-O 3.32Å; N101-H136 VanDerWaalsContact ND2-O 3.1Å; N101-H136 WeakPolarHBondContact OD1-CA 3.24Å; N101-H136 PolarHBondContact OD1-CD2 3.35Å; W115-H136 HydrophobicContact CB-CB 3.63Å; W115-H136 AromaticContact CD1-CE1 3.91Å; W115-H136 AromaticContact CD1-CG 3.47Å; W115-H136 VanDerWaalsContact CD1-CG 3.47Å; W115-H136 AromaticContact CD1-ND1 3.44Å; W115-H136 HydrophobicContact CG-CB 3.7Å; E118-H136 IonicContact OE1-CE1 3.68Å; E118-H136 IonicContact OE1-CG 3.55Å; E118-H136 IonicContact OE1-ND1 2.71Å; E118-H136 PolarHBondContact OE1-ND1 3.39Å; E118-H136 WeakPolarHBondContact OE2-CA 3.31Å; E118-H136 VanDerWaalsContact OE2-CB 3.31Å; E118-H136 WeakPolarHBondContact OE2-CB 3.47Å; E118-H136 IonicContact OE2-CG 3.74Å; E118-H136 PolarHBondContact OE2-N 2.95Å; E118-H136 IonicContact OE2-ND1 3.7Å; R133-H136 WeakPolarHBondContact CD-CE1 3.25Å; R133-H136 WeakPolarHBondContact CD-ND1 3.27Å; R133-H136 PolarHBondContact NH1-CE1 3.42Å; R133-H136 VanDerWaalsContact NH1-CE1 3.25Å; R133-H136 PolarHBondContact NH1-NE2 3.07Å; C134-H136 VanDerWaalsContact C-N 3.29Å; C134-H136 PolarHBondContact O-N 3.34Å; H136-Q139 PolarHBondContact O-N 3.06Å; H136-I140 WeakPolarHBondContact O-CG1 3.35Å; H136-I140 PolarHBondContact O-N 3.47Å; H136-I140 VanDerWaalsContact O-N 3.12Å
137	Y	96.8	Very high	92.3	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-57.4	-52.8	171.3	163.6	-113.1	0	0	0	111.1	L51 W115 L116 E118 Y122 C134 Q139 I140 V141	L51-Y137 HydrophobicContact CD1-CE2 3.73Å; W115-Y137 WeakPolarHBondContact O-CB 3.48Å; W115-Y137 PolarHBondContact O-N 2.87Å; L116-Y137 HydrophobicContact CD1-CD2 4.2Å; L116-Y137 HydrophobicContact CD1-CE2 4.49Å; E118-Y137 PolarHBondContact OE2-N 3.37Å; E118-Y137 VanDerWaalsContact OE2-N 3.11Å; Y122-Y137 HydrophobicContact CD1-CD1 4.23Å; Y122-Y137 AromaticContact CD1-CE1 3.8Å; Y122-Y137 HydrophobicContact CD1-CE1 3.8Å; Y122-Y137 HydrophobicContact CG-CD1 4.25Å; Y122-Y137 HydrophobicContact CG-CE1 4.24Å; C134-Y137 PolarHBondContact O-N 3.01Å; Y137-Q139 PolarHBondContact O-N 3.25Å; Y137-I140 PolarHBondContact O-N 2.95Å; Y137-V141 HydrophobicContact CD2-CG1 4.21Å; Y137-V141 HydrophobicContact CD2-CG2 4.3Å; Y137-V141 HydrophobicContact CE1-CG2 4.16Å; Y137-V141 HydrophobicContact CE2-CB 4.35Å; Y137-V141 HydrophobicContact CE2-CG1 3.64Å; Y137-V141 HydrophobicContact CE2-CG2 3.73Å; Y137-V141 PolarHBondContact O-N 3.11Å
138	T	95.7	Very high	93	Very high	12 Å²	12	41 Å²	41	7%	0.074	24%	0.237	C	C	.	.	H	α-helix	trans	-60.6	-31.8	-177	53.8	0	0	0	0	112.5	Y122 C134 S135 W142 P179	Y122-T138 HydrophobicContact CD1-CG2 4.33Å; Y122-T138 HydrophobicContact CD2-CG2 4.02Å; Y122-T138 HydrophobicContact CE1-CG2 3.98Å; Y122-T138 HydrophobicContact CE2-CG2 3.67Å; Y122-T138 HydrophobicContact CG-CG2 4.34Å; C134-T138 WeakPolarHBondContact O-CG2 3.33Å; C134-T138 PolarHBondContact O-N 2.92Å; C134-T138 PolarHBondContact O-OG1 3.01Å; S135-T138 WeakPolarHBondContact CA-OG1 3.45Å; S135-T138 PolarHBondContact O-N 2.88Å; S135-T138 PolarHBondContact O-OG1 3.07Å; T138-W142 WeakPolarHBondContact O-CB 3.42Å; T138-W142 PolarHBondContact O-N 3.46Å; T138-W142 VanDerWaalsContact O-N 3.1Å; T138-P179 HydrophobicContact CG2-CB 4.33Å; T138-P179 HydrophobicContact CG2-CG 4.25Å
139	Q	97.1	Very high	93.6	Very high	9 Å²	9	36.6 Å²	36.6	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-69.6	-41.2	175.1	179.5	58.7	90.9	0	0	112.5	S135 H136 Y137 V141 W142 T145 Y168	S135-Q139 WeakPolarHBondContact O-CB 3.3Å; S135-Q139 PolarHBondContact O-N 3.46Å; H136-Q139 PolarHBondContact O-N 3.06Å; Y137-Q139 PolarHBondContact O-N 3.25Å; Q139-V141 VanDerWaalsContact C-N 3.27Å; Q139-V141 PolarHBondContact O-N 3.43Å; Q139-W142 PolarHBondContact O-N 3.3Å; Q139-T145 PolarHBondContact NE2-OG1 3.09Å; Q139-Y168 HydrophobicContact CG-CD1 3.94Å; Q139-Y168 HydrophobicContact CG-CD2 3.29Å; Q139-Y168 HydrophobicContact CG-CE1 4.13Å; Q139-Y168 HydrophobicContact CG-CE2 3.53Å; Q139-Y168 HydrophobicContact CG-CG 3.51Å
140	I	98.2	Very high	94.3	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-58.5	-42.6	176.9	-67.8	162.4	0	0	0	110.7	A42 R43 F112 W115 H136 Y137	A42-I140 HydrophobicContact CB-CG2 3.81Å; R43-I140 WeakPolarHBondContact CD-O 3.38Å; R43-I140 WeakPolarHBondContact CG-O 3.36Å; R43-I140 PolarHBondContact NH1-O 2.9Å; F112-I140 HydrophobicContact CD2-CD1 4.45Å; F112-I140 HydrophobicContact CE2-CD1 3.9Å; F112-I140 HydrophobicContact CE2-CG1 4.37Å; F112-I140 HydrophobicContact CE2-CG2 4.42Å; F112-I140 HydrophobicContact CZ-CD1 4.38Å; F112-I140 HydrophobicContact CZ-CG2 4.47Å; W115-I140 HydrophobicContact CB-CD1 3.67Å; H136-I140 WeakPolarHBondContact O-CG1 3.35Å; H136-I140 PolarHBondContact O-N 3.47Å; H136-I140 VanDerWaalsContact O-N 3.12Å; Y137-I140 PolarHBondContact O-N 2.95Å
141	V	97.4	Very high	95.1	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.5	15.4	-175.1	-53.6	0	0	0	0	113.7	V46 I60 Y137 Q139 E143 P179 Y180	V46-V141 HydrophobicContact CG2-CB 4.37Å; V46-V141 HydrophobicContact CG2-CG1 3.78Å; I60-V141 HydrophobicContact CD1-CB 4.46Å; Y137-V141 HydrophobicContact CD2-CG1 4.21Å; Y137-V141 HydrophobicContact CD2-CG2 4.3Å; Y137-V141 HydrophobicContact CE1-CG2 4.16Å; Y137-V141 HydrophobicContact CE2-CB 4.35Å; Y137-V141 HydrophobicContact CE2-CG1 3.64Å; Y137-V141 HydrophobicContact CE2-CG2 3.73Å; Y137-V141 PolarHBondContact O-N 3.11Å; Q139-V141 VanDerWaalsContact C-N 3.27Å; Q139-V141 PolarHBondContact O-N 3.43Å; V141-E143 PolarHBondContact O-N 2.92Å; V141-P179 HydrophobicContact CG2-CB 4.17Å; V141-P179 HydrophobicContact CG2-CG 4.46Å; V141-Y180 HydrophobicContact CB-CD1 4.2Å; V141-Y180 HydrophobicContact CB-CE1 4.42Å; V141-Y180 HydrophobicContact CG2-CD1 3.83Å; V141-Y180 HydrophobicContact CG2-CE1 3.85Å
142	W	96.7	Very high	95.9	Very high	13 Å²	13	27.5 Å²	27.5	5%	0.049	16%	0.16	C	C	.	.			trans	-69.2	116.2	-179.5	-157.4	-97.8	0	0	0	110.8	R43 T138 Q139 N144 T145 G172 G173 C174 Q177 P179	R43-W142 PolarHBondContact NH1-O 3.41Å; R43-W142 PolarHBondContact NH2-O 3.22Å; T138-W142 WeakPolarHBondContact O-CB 3.42Å; T138-W142 PolarHBondContact O-N 3.46Å; T138-W142 VanDerWaalsContact O-N 3.1Å; Q139-W142 PolarHBondContact O-N 3.3Å; W142-N144 VanDerWaalsContact C-N 3.28Å; W142-N144 PolarHBondContact O-N 2.92Å; W142-T145 PolarHBondContact O-N 3.27Å; W142-G172 VanDerWaalsContact CE2-CA 3.41Å; W142-G173 VanDerWaalsContact CZ3-N 3.3Å; W142-C174 HydrophobicContact CH2-CB 4.39Å; W142-C174 HydrophobicContact CZ2-CB 4.31Å; W142-Q177 HydrophobicContact CH2-CB 4.01Å; W142-Q177 HydrophobicContact CZ2-CB 4.34Å; W142-P179 CarbonylContact C-O 3.6Å; W142-P179 VanDerWaalsContact CA-O 3.3Å; W142-P179 WeakPolarHBondContact CA-O 3.47Å; W142-P179 HydrophobicContact CE3-CB 3.69Å; W142-P179 HydrophobicContact CZ3-CB 4Å
143	E	95.7	Very high	96.4	Very high	52 Å²	52	24.2 Å²	24.2	24%	0.243	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.2	-37.4	-172.8	-178.3	174	-166.6	0	0	112	V141 P179 S181	V141-E143 PolarHBondContact O-N 2.92Å; E143-P179 PolarHBondContact N-O 2.71Å; E143-S181 VanDerWaalsContact OE2-CB 3.24Å; E143-S181 WeakPolarHBondContact OE2-CB 3.28Å; E143-S181 PolarHBondContact OE2-N 2.78Å; E143-S181 PolarHBondContact OE2-OG 2.85Å
144	N	94.5	Very high	96.7	Very high	107 Å²	107	22.8 Å²	22.8	57%	0.572	13%	0.132	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-12.3	-177.9	-68.5	-4.5	0	0	0	114.4	W142 P170	W142-N144 VanDerWaalsContact C-N 3.28Å; W142-N144 PolarHBondContact O-N 2.92Å; N144-P170 WeakPolarHBondContact O-CD 3.24Å; N144-P170 VanDerWaalsContact O-CG 3.25Å; N144-P170 WeakPolarHBondContact O-CG 3.32Å
145	T	97.8	Very high	96.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	13%	0.131	C	C	.	.			trans	-74.5	127.7	174	-64.1	0	0	0	0	108.5	R43 L63 Q139 W142 Y168 P170	R43-T145 PolarHBondContact NH2-O 3.21Å; L63-T145 HydrophobicContact CD2-CG2 3.83Å; L63-T145 WeakPolarHBondContact CD2-O 3.15Å; Q139-T145 PolarHBondContact NE2-OG1 3.09Å; W142-T145 PolarHBondContact O-N 3.27Å; T145-Y168 HydrophobicContact CG2-CD1 4.13Å; T145-Y168 HydrophobicContact CG2-CG 4.44Å; T145-P170 WeakPolarHBondContact CB-O 3.45Å; T145-P170 PolarHBondContact OG1-O 3.27Å
146	T	98	Very high	96.6	Very high	59 Å²	59	24.9 Å²	24.9	36%	0.362	14%	0.144	S	C	.	.			trans	-110	-30.5	-176.6	54.6	0	0	0	0	112.8	L63 K64 G169	L63-T146 WeakPolarHBondContact CA-O 3.27Å; K64-T146 PolarHBondContact N-O 2.9Å; T146-G169 PolarHBondContact N-O 2.87Å; T146-G169 PolarHBondContact OG1-O 3.3Å
147	D	98.6	Very high	96.3	Very high	6 Å²	6	33.2 Å²	33.2	3%	0.032	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145.9	-168.7	-70.9	-124.7	0	0	0	110.7	K64 N66 L69 F95 Y168 G169	K64-D147 WeakPolarHBondContact CE-OD1 3.48Å; K64-D147 WeakPolarHBondContact CE-OD2 3.33Å; K64-D147 IonicContact NZ-OD1 3.89Å; K64-D147 IonicContact NZ-OD2 3.78Å; K64-D147 WeakPolarHBondContact O-CA 3.21Å; N66-D147 HydrophobicContact CB-CB 4.05Å; N66-D147 PolarHBondContact ND2-OD1 3.34Å; L69-D147 HydrophobicContact CD1-CB 3.87Å; F95-D147 HydrophobicContact CE1-CB 4.18Å; F95-D147 HydrophobicContact CE2-CB 4.18Å; F95-D147 HydrophobicContact CZ-CB 3.53Å; D147-Y168 WeakPolarHBondContact O-CA 3.46Å; D147-G169 PolarHBondContact N-O 3.4Å; D147-G169 PolarHBondContact O-N 2.03Å
148	I	98.7	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	144.9	171.3	-169.5	174.8	0	0	0	109.9	L36 H39 L63 K64 W65 N66 C166 N167 Y168	L36-I148 HydrophobicContact CD1-CG2 3.63Å; H39-I148 HydrophobicContact CB-CD1 4.41Å; H39-I148 VanDerWaalsContact CE1-CD1 3.46Å; H39-I148 WeakPolarHBondContact CE1-CD1 3.48Å; H39-I148 WeakPolarHBondContact ND1-CD1 2.98Å; L63-I148 HydrophobicContact CB-CB 4.48Å; L63-I148 HydrophobicContact CB-CG2 3.96Å; L63-I148 HydrophobicContact CD1-CB 4.03Å; L63-I148 HydrophobicContact CD1-CD1 4.27Å; L63-I148 HydrophobicContact CD1-CG2 4.17Å; K64-I148 PolarHBondContact O-N 3.27Å; W65-I148 CarbonylContact C-O 3.58Å; W65-I148 WeakPolarHBondContact CA-O 3.38Å; W65-I148 HydrophobicContact CE3-CG2 3.96Å; W65-I148 HydrophobicContact CZ3-CG2 4.28Å; N66-I148 PolarHBondContact N-O 2.82Å; I148-C166 HydrophobicContact CD1-CB 4.23Å; I148-C166 HydrophobicContact CG1-CB 4.42Å; I148-N167 WeakPolarHBondContact CA-O 3.06Å; I148-Y168 HydrophobicContact CB-CD1 4.49Å; I148-Y168 HydrophobicContact CD1-CD1 4.15Å; I148-Y168 HydrophobicContact CD1-CE1 3.57Å; I148-Y168 HydrophobicContact CG1-CD1 4.09Å; I148-Y168 HydrophobicContact CG1-CE1 3.98Å
149	G	98.5	Very high	95.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	132.7	162.1	0	0	0	0	0	109	N167	G149-N167 PolarHBondContact N-O 2.87Å; G149-N167 PolarHBondContact O-N 2.87Å
150	C	98.5	Very high	95.3	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	152.7	-177.5	-49.7	0	0	0	0	111	M27 L35 W65 E70 V165 C166	M27-C150 WeakPolarHBondContact CE-O 3Å; L35-C150 HydrophobicContact CD1-CB 3.65Å; W65-C150 HydrophobicContact CH2-CB 3.68Å; W65-C150 HydrophobicContact CZ2-CB 4.34Å; E70-C150 WeakPolarHBondContact CG-O 3.45Å; C150-V165 CarbonylContact C-O 2.95Å; C150-V165 WeakPolarHBondContact CA-O 3.38Å; C150-V165 WeakPolarHBondContact CB-O 3.25Å; C150-C166 HydrophobicContact CB-CB 4.03Å; C150-C166 WeakPolarHBondContact CB-SG 3.12Å; C150-C166 WeakPolarHBondContact SG-CB 3.46Å; C150-C166 CovalentContact SG-SG 2.04Å; C150-C166 PolarHBondContact SG-SG 2.79Å
151	G	97.6	Very high	95.1	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	150.6	170.2	0	0	0	0	0	110.4	A73 V165	A73-G151 VanDerWaalsContact CB-N 3.32Å; G151-V165 PolarHBondContact N-O 2.87Å; G151-V165 PolarHBondContact O-N 3.33Å
152	V	97.3	Very high	95	Very high	23 Å²	23	49.2 Å²	49.2	14%	0.139	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	127.8	-179.4	-177.8	0	0	0	0	108.5	M27 T31 L35 Q74 V108 L162 S163 I164	M27-V152 HydrophobicContact CG-CB 4.4Å; M27-V152 HydrophobicContact CG-CG2 4.4Å; M27-V152 HydrophobicContact SD-CB 4.39Å; M27-V152 HydrophobicContact SD-CG2 3.8Å; T31-V152 HydrophobicContact CG2-CG2 4.11Å; L35-V152 HydrophobicContact CD1-CG2 4.02Å; Q74-V152 PolarHBondContact NE2-O 3.45Å; Q74-V152 PolarHBondContact OE1-O 3.21Å; V108-V152 HydrophobicContact CG1-CG1 4.22Å; V108-V152 HydrophobicContact CG1-CG2 3.91Å; V152-L162 HydrophobicContact CG1-CB 4.46Å; V152-L162 HydrophobicContact CG1-CD1 4.28Å; V152-S163 WeakPolarHBondContact CA-O 3.49Å; V152-I164 HydrophobicContact CG1-CG1 4.41Å; V152-I164 HydrophobicContact CG2-CG2 4.28Å
153	A	96.1	Very high	95	Very high	7 Å²	7	48.8 Å²	48.8	6%	0.058	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	141.4	175.3	0	0	0	0	0	110.5	A77 D78 L162 S163	A77-A153 VanDerWaalsContact C-CB 3.4Å; A77-A153 HydrophobicContact CB-CB 3.92Å; A77-A153 VanDerWaalsContact O-CB 3.3Å; A77-A153 WeakPolarHBondContact O-CB 3.39Å; D78-A153 WeakPolarHBondContact OD1-CB 3.44Å; A153-L162 CarbonylContact O-C 3.43Å; A153-L162 VanDerWaalsContact O-CA 3.31Å; A153-L162 WeakPolarHBondContact O-CA 3.39Å; A153-S163 PolarHBondContact N-O 2.77Å; A153-S163 PolarHBondContact O-N 2.86Å
154	T	95.5	Very high	95.1	Very high	107 Å²	107	46.3 Å²	46.3	66%	0.656	25%	0.253	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	125.6	167	-61.7	0	0	0	0	108.6	P156	T154-P156 HydrophobicContact CG2-CG 4.36Å; T154-P156 WeakPolarHBondContact O-CD 3.46Å
155	C	94.2	Very high	95.2	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.02	23%	0.226	C	C	.	.			trans	-121.8	84.7	-176.7	-64	0	0	0	0	109.2	C80 H157 S158 K161	C80-C155 WeakPolarHBondContact CA-SG 3.44Å; C80-C155 HydrophobicContact CB-CB 3.72Å; C80-C155 WeakPolarHBondContact CB-SG 3.46Å; C80-C155 WeakPolarHBondContact SG-CA 3.29Å; C80-C155 WeakPolarHBondContact SG-CB 3.46Å; C80-C155 CovalentContact SG-SG 2.03Å; C80-C155 PolarHBondContact SG-SG 2.91Å; C155-H157 PolarHBondContact O-N 3.04Å; C155-S158 VanDerWaalsContact O-CB 3.3Å; C155-S158 WeakPolarHBondContact O-CB 3.09Å; C155-S158 PolarHBondContact O-N 2.83Å; C155-K161 PolarHBondContact N-O 3.43Å
156	P	88.7	Confident	95.3	Very high	107 Å²	107	41.2 Å²	41.2	70%	0.695	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-32.2	-171.3	-25.8	35.5	0	0	0	114.3	T154 S158	T154-P156 HydrophobicContact CG2-CG 4.36Å; T154-P156 WeakPolarHBondContact O-CD 3.46Å; P156-S158 VanDerWaalsContact C-N 3.33Å
157	H	90.9	Very high	95.3	Very high	193 Å²	193	38.4 Å²	38.4	89%	0.894	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-0.9	178.4	-54	-63.1	0	0	0	113.6	C155	C155-H157 PolarHBondContact O-N 3.04Å
158	S	89.1	Confident	95.3	Very high	16 Å²	16	38.1 Å²	38.1	11%	0.112	21%	0.207	C	C	.	.	S	Bend	trans	-87.1	132.5	175.2	170.8	0	0	0	0	110.7	F82 C155 P156 F160 K161	F82-S158 VanDerWaalsContact CE1-OG 3.27Å; F82-S158 WeakPolarHBondContact CE1-OG 3.33Å; F82-S158 VanDerWaalsContact CZ-OG 3.3Å; F82-S158 WeakPolarHBondContact CZ-OG 3.32Å; C155-S158 VanDerWaalsContact O-CB 3.3Å; C155-S158 WeakPolarHBondContact O-CB 3.09Å; C155-S158 PolarHBondContact O-N 2.83Å; P156-S158 VanDerWaalsContact C-N 3.33Å; S158-F160 PolarHBondContact O-N 2.75Å; S158-F160 PolarHBondContact OG-N 3.49Å; S158-F160 VanDerWaalsContact OG-N 3.11Å; S158-K161 PolarHBondContact O-N 3.4Å; S158-K161 VanDerWaalsContact O-N 3.09Å
159	P	90.5	Very high	95.2	Very high	111 Å²	111	38.1 Å²	38.1	72%	0.721	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-15.6	167.8	20.1	-36.1	0	0	0	114.8	F82	F82-P159 HydrophobicContact CE2-CG 4.12Å; F82-P159 HydrophobicContact CZ-CG 3.95Å
160	F	89.7	Confident	95.1	Very high	64 Å²	64	39.8 Å²	39.8	28%	0.281	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-10.7	-179	-57.6	-56.2	0	0	0	115.3	F82 W102 G104 A105 S106 S158 L162	F82-F160 HydrophobicContact CD1-CD2 4.36Å; F82-F160 HydrophobicContact CD1-CE2 4.4Å; F82-F160 AromaticContact CD2-CE2 3.88Å; F82-F160 HydrophobicContact CD2-CE2 3.88Å; F82-F160 AromaticContact CE1-CD2 3.76Å; F82-F160 HydrophobicContact CE1-CD2 3.76Å; F82-F160 HydrophobicContact CE1-CE2 4.07Å; F82-F160 AromaticContact CE2-CD2 3.94Å; F82-F160 HydrophobicContact CE2-CD2 3.94Å; F82-F160 AromaticContact CE2-CE2 3.49Å; F82-F160 HydrophobicContact CE2-CE2 3.49Å; F82-F160 VanDerWaalsContact CE2-CE2 3.49Å; F82-F160 HydrophobicContact CE2-CZ 4.49Å; F82-F160 HydrophobicContact CG-CE2 4.33Å; F82-F160 AromaticContact CZ-CD2 3.51Å; F82-F160 HydrophobicContact CZ-CD2 3.51Å; F82-F160 AromaticContact CZ-CE2 3.59Å; F82-F160 HydrophobicContact CZ-CE2 3.59Å; W102-F160 HydrophobicContact CH2-CD2 4.08Å; W102-F160 AromaticContact CH2-CE2 3.95Å; W102-F160 HydrophobicContact CH2-CE2 3.95Å; G104-F160 VanDerWaalsContact CA-CB 3.47Å; A105-F160 CarbonylContact C-O 3.56Å; S106-F160 PolarHBondContact N-O 3.16Å; S158-F160 PolarHBondContact O-N 2.75Å; S158-F160 PolarHBondContact OG-N 3.49Å; S158-F160 VanDerWaalsContact OG-N 3.11Å; F160-L162 PolarHBondContact O-N 3.5Å
161	K	92.9	Very high	94.8	Very high	139 Å²	139	40.1 Å²	40.1	60%	0.604	22%	0.221	S	C	*	.	S	Bend	trans	63.8	-47.1	-169.9	-53.7	-173.9	176.1	-171.6	0	116.5	C155 S158	C155-K161 PolarHBondContact N-O 3.43Å; S158-K161 PolarHBondContact O-N 3.4Å; S158-K161 VanDerWaalsContact O-N 3.09Å
162	L	95.6	Very high	94.2	Very high	27 Å²	27	40.8 Å²	40.8	14%	0.141	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	146	176.1	-49.2	177	0	0	0	111.6	G104 A105 V108 V152 A153 F160 I164	G104-L162 WeakPolarHBondContact CA-O 3.17Å; A105-L162 PolarHBondContact N-O 3.38Å; A105-L162 VanDerWaalsContact O-CB 3.24Å; A105-L162 WeakPolarHBondContact O-CB 3.37Å; A105-L162 WeakPolarHBondContact O-CG 3.11Å; A105-L162 PolarHBondContact O-N 3Å; V108-L162 HydrophobicContact CG1-CD1 4.5Å; V152-L162 HydrophobicContact CG1-CB 4.46Å; V152-L162 HydrophobicContact CG1-CD1 4.28Å; A153-L162 CarbonylContact O-C 3.43Å; A153-L162 VanDerWaalsContact O-CA 3.31Å; A153-L162 WeakPolarHBondContact O-CA 3.39Å; F160-L162 PolarHBondContact O-N 3.5Å; L162-I164 HydrophobicContact CB-CD1 4.38Å; L162-I164 HydrophobicContact CB-CG1 4.05Å
163	S	96.1	Very high	92.7	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.021	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	120.4	159.7	-171.5	0	0	0	0	107.9	A77 W102 V152 A153	A77-S163 WeakPolarHBondContact O-CB 3.11Å; A77-S163 PolarHBondContact O-OG 2.69Å; W102-S163 PolarHBondContact NE1-OG 2.9Å; V152-S163 WeakPolarHBondContact CA-O 3.49Å; A153-S163 PolarHBondContact N-O 2.77Å; A153-S163 PolarHBondContact O-N 2.86Å
164	I	97.4	Very high	90.8	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	117.9	-175.7	-54.1	154.6	0	0	0	108	W102 A103 A105 V108 W115 V152 L162	W102-I164 CarbonylContact C-O 3.39Å; W102-I164 WeakPolarHBondContact CA-O 3.48Å; A103-I164 PolarHBondContact N-O 3.19Å; A103-I164 WeakPolarHBondContact O-CB 3.49Å; A103-I164 PolarHBondContact O-N 3.12Å; A105-I164 HydrophobicContact CB-CD1 3.98Å; V108-I164 HydrophobicContact CG1-CD1 4.41Å; V108-I164 HydrophobicContact CG1-CG1 4.34Å; W115-I164 HydrophobicContact CH2-CG2 3.89Å; W115-I164 HydrophobicContact CZ2-CG2 4.44Å; V152-I164 HydrophobicContact CG1-CG1 4.41Å; V152-I164 HydrophobicContact CG2-CG2 4.28Å; L162-I164 HydrophobicContact CB-CD1 4.38Å; L162-I164 HydrophobicContact CB-CG1 4.05Å
165	V	97.8	Very high	88.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	132.5	-177.9	-175	0	0	0	0	108.8	A73 L76 A77 Q100 N101 C150 G151	A73-V165 HydrophobicContact CB-CB 4Å; A73-V165 HydrophobicContact CB-CG1 3.75Å; A73-V165 WeakPolarHBondContact O-CB 3.46Å; L76-V165 HydrophobicContact CB-CG1 4.48Å; L76-V165 HydrophobicContact CB-CG2 4.26Å; L76-V165 HydrophobicContact CD2-CG1 3.95Å; L76-V165 HydrophobicContact CD2-CG2 4.04Å; L76-V165 HydrophobicContact CG-CG2 4.01Å; A77-V165 HydrophobicContact CB-CG2 3.92Å; Q100-V165 HydrophobicContact CG-CG1 4.01Å; N101-V165 WeakPolarHBondContact O-CA 3.2Å; C150-V165 CarbonylContact C-O 2.95Å; C150-V165 WeakPolarHBondContact CA-O 3.38Å; C150-V165 WeakPolarHBondContact CB-O 3.25Å; G151-V165 PolarHBondContact N-O 2.87Å; G151-V165 PolarHBondContact O-N 3.33Å
166	C	98.5	Very high	87.2	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	126.2	168	-72.5	0	0	0	0	109.8	Q100 N101 W115 I148 C150 Y168	Q100-C166 CarbonylContact C-O 3.53Å; Q100-C166 WeakPolarHBondContact CA-O 3.37Å; N101-C166 PolarHBondContact N-O 3.19Å; N101-C166 PolarHBondContact O-N 3.36Å; W115-C166 HydrophobicContact CH2-CB 4.07Å; W115-C166 HydrophobicContact CZ3-CB 4.2Å; I148-C166 HydrophobicContact CD1-CB 4.23Å; I148-C166 HydrophobicContact CG1-CB 4.42Å; C150-C166 HydrophobicContact CB-CB 4.03Å; C150-C166 WeakPolarHBondContact CB-SG 3.12Å; C150-C166 WeakPolarHBondContact SG-CB 3.46Å; C150-C166 CovalentContact SG-SG 2.04Å; C150-C166 PolarHBondContact SG-SG 2.79Å; C166-Y168 HydrophobicContact CB-CE2 3.82Å; C166-Y168 WeakPolarHBondContact CB-OH 3.48Å; C166-Y168 WeakPolarHBondContact O-CD2 3.05Å; C166-Y168 WeakPolarHBondContact O-CE2 3.18Å
167	N	98.5	Very high	86.7	Confident	0 Å²	0	55 Å²	55	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	143.2	173.1	-76.4	-28.9	0	0	0	110.2	L69 A73 V98 G99 Q100 I148 G149	L69-N167 HydrophobicContact CB-CB 4.06Å; L69-N167 HydrophobicContact CD2-CB 4.12Å; L69-N167 PolarHBondContact O-ND2 3.4Å; A73-N167 WeakPolarHBondContact CA-ND2 3.38Å; A73-N167 HydrophobicContact CB-CB 4.42Å; A73-N167 PolarHBondContact N-ND2 3.01Å; A73-N167 VanDerWaalsContact N-ND2 3.13Å; V98-N167 HydrophobicContact CG1-CB 3.8Å; G99-N167 CarbonylContact O-C 3.51Å; G99-N167 WeakPolarHBondContact O-CA 3.07Å; Q100-N167 WeakPolarHBondContact CG-OD1 3.46Å; Q100-N167 PolarHBondContact NE2-OD1 3.18Å; I148-N167 WeakPolarHBondContact CA-O 3.06Å; G149-N167 PolarHBondContact N-O 2.87Å; G149-N167 PolarHBondContact O-N 2.87Å
168	Y	98.4	Very high	86.6	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	128.1	-170.4	-59.5	-91.6	0	0	0	111.3	H39 V98 G99 N101 Q139 T145 D147 I148 C166 P170 G171	H39-Y168 AromaticContact CD2-CE1 3.8Å; H39-Y168 AromaticContact NE2-CE1 3.79Å; H39-Y168 AromaticContact NE2-CZ 3.74Å; H39-Y168 PolarHBondContact NE2-OH 3.1Å; V98-Y168 WeakPolarHBondContact CA-O 3.48Å; G99-Y168 PolarHBondContact N-O 2.75Å; G99-Y168 PolarHBondContact O-N 3.42Å; N101-Y168 HydrophobicContact CB-CE2 3.85Å; N101-Y168 PolarHBondContact ND2-OH 3.36Å; Q139-Y168 HydrophobicContact CG-CD1 3.94Å; Q139-Y168 HydrophobicContact CG-CD2 3.29Å; Q139-Y168 HydrophobicContact CG-CE1 4.13Å; Q139-Y168 HydrophobicContact CG-CE2 3.53Å; Q139-Y168 HydrophobicContact CG-CG 3.51Å; T145-Y168 HydrophobicContact CG2-CD1 4.13Å; T145-Y168 HydrophobicContact CG2-CG 4.44Å; D147-Y168 WeakPolarHBondContact O-CA 3.46Å; I148-Y168 HydrophobicContact CB-CD1 4.49Å; I148-Y168 HydrophobicContact CD1-CD1 4.15Å; I148-Y168 HydrophobicContact CD1-CE1 3.57Å; I148-Y168 HydrophobicContact CG1-CD1 4.09Å; I148-Y168 HydrophobicContact CG1-CE1 3.98Å; C166-Y168 HydrophobicContact CB-CE2 3.82Å; C166-Y168 WeakPolarHBondContact CB-OH 3.48Å; C166-Y168 WeakPolarHBondContact O-CD2 3.05Å; C166-Y168 WeakPolarHBondContact O-CE2 3.18Å; Y168-P170 CarbonylContact O-C 3.56Å; Y168-G171 WeakPolarHBondContact O-CA 3.34Å; Y168-G171 PolarHBondContact O-N 2.89Å
169	G	97.4	Very high	86.8	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.3	-177.9	0	0	0	0	0	112.7	T146 D147	T146-G169 PolarHBondContact N-O 2.87Å; T146-G169 PolarHBondContact OG1-O 3.3Å; D147-G169 PolarHBondContact N-O 3.4Å; D147-G169 PolarHBondContact O-N 2.03Å
170	P	95.9	Very high	87	Confident	36 Å²	36	44.6 Å²	44.6	23%	0.234	23%	0.232	C	C	.	.	S	Bend	cis	-57.9	155.7	-27.8	29.8	-36.4	0	0	0	111.2	N97 N144 T145 Y168	N97-P170 WeakPolarHBondContact O-CA 3.47Å; N97-P170 WeakPolarHBondContact OD1-CB 3.42Å; N144-P170 WeakPolarHBondContact O-CD 3.24Å; N144-P170 VanDerWaalsContact O-CG 3.25Å; N144-P170 WeakPolarHBondContact O-CG 3.32Å; T145-P170 WeakPolarHBondContact CB-O 3.45Å; T145-P170 PolarHBondContact OG1-O 3.27Å; Y168-P170 CarbonylContact O-C 3.56Å
171	G	92.4	Very high	87.1	Confident	6 Å²	6	44.1 Å²	44.1	6%	0.062	24%	0.237	C	C	.	.			trans	-64.6	145.1	174.7	0	0	0	0	0	112.9	N97 Y168	N97-G171 WeakPolarHBondContact ND2-CA 3.38Å; N97-G171 PolarHBondContact ND2-N 3.11Å; N97-G171 PolarHBondContact ND2-O 2.86Å; N97-G171 PolarHBondContact O-N 2.92Å; N97-G171 PolarHBondContact OD1-N 2.93Å; Y168-G171 WeakPolarHBondContact O-CA 3.34Å; Y168-G171 PolarHBondContact O-N 2.89Å
172	G	85.8	Confident	86.9	Confident	15 Å²	15	39.2 Å²	39.2	16%	0.155	22%	0.218	C	C	.	.			trans	-89.9	-160.5	169.1	0	0	0	0	0	112.6	W142	W142-G172 VanDerWaalsContact CE2-CA 3.41Å
173	G	64.9	Low	86.4	Confident	44 Å²	44	44.3 Å²	44.3	45%	0.454	24%	0.239	S	C	.	.			trans	84.7	14.1	168.8	0	0	0	0	0	115.9	W142 P175	W142-G173 VanDerWaalsContact CZ3-N 3.3Å; G173-P175 VanDerWaalsContact O-CD 3.31Å; G173-P175 WeakPolarHBondContact O-CD 3.29Å
174	C	56.1	Low	85.1	Confident	56 Å²	56	47 Å²	47	38%	0.378	27%	0.268	S	S	.	.			trans	-54.4	119.2	167.7	-73.1	0	0	0	0	110.1	W142 R176 Q177	W142-C174 HydrophobicContact CH2-CB 4.39Å; W142-C174 HydrophobicContact CZ2-CB 4.31Å; C174-R176 PolarHBondContact O-N 2.94Å; C174-Q177 HydrophobicContact CB-CB 4.25Å; C174-Q177 VanDerWaalsContact CB-CD 3.41Å; C174-Q177 HydrophobicContact CB-CG 3.9Å; C174-Q177 VanDerWaalsContact CB-OE1 3.32Å; C174-Q177 PolarHBondContact O-N 2.97Å
175	P	55	Low	82.8	Confident	117 Å²	117	53.7 Å²	53.7	76%	0.76	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	140.2	-178.3	-27.6	35.5	0	0	0	111.9	G173 Q177	G173-P175 VanDerWaalsContact O-CD 3.31Å; G173-P175 WeakPolarHBondContact O-CD 3.29Å; P175-Q177 PolarHBondContact O-N 3.21Å
176	R	60	Low	80.5	Confident	224 Å²	224	57.8 Å²	57.8	85%	0.845	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	4.5	178.9	-47.3	175.6	175.7	-169.7	-1.7	116.2	R127 C174	R127-R176 WeakPolarHBondContact CD-O 3.37Å; R127-R176 PolarHBondContact NE-O 2.76Å; C174-R176 PolarHBondContact O-N 2.94Å
177	Q	78	Confident	77.7	Confident	103 Å²	103	66 Å²	66	48%	0.481	35%	0.35	S	S	.	.			trans	-84.9	156.8	166.6	-65	-174.5	-1.4	0	0	111.2	R127 W142 C174 P175	R127-Q177 WeakPolarHBondContact CD-O 3.12Å; W142-Q177 HydrophobicContact CH2-CB 4.01Å; W142-Q177 HydrophobicContact CZ2-CB 4.34Å; C174-Q177 HydrophobicContact CB-CB 4.25Å; C174-Q177 VanDerWaalsContact CB-CD 3.41Å; C174-Q177 HydrophobicContact CB-CG 3.9Å; C174-Q177 VanDerWaalsContact CB-OE1 3.32Å; C174-Q177 PolarHBondContact O-N 2.97Å; P175-Q177 PolarHBondContact O-N 3.21Å
178	F	88.5	Confident	74.8	Confident	96 Å²	96	73.6 Å²	73.6	42%	0.421	39%	0.385	S	S	.	.			trans	-82.3	142.6	169.3	-65.9	-81.6	0	0	0	109.2	F124 R127 Y180	F124-F178 AromaticContact CD1-CD1 3.8Å; F124-F178 HydrophobicContact CD1-CD1 3.8Å; F124-F178 AromaticContact CD1-CE1 3.94Å; F124-F178 HydrophobicContact CD1-CE1 3.94Å; F124-F178 AromaticContact CE1-CD1 3.29Å; F124-F178 HydrophobicContact CE1-CD1 3.29Å; F124-F178 AromaticContact CE1-CE1 3.66Å; F124-F178 HydrophobicContact CE1-CE1 3.66Å; F124-F178 HydrophobicContact CE1-CG 4.19Å; F124-F178 HydrophobicContact CE2-CD1 4.38Å; F124-F178 HydrophobicContact CZ-CB 4.08Å; F124-F178 AromaticContact CZ-CD1 3.62Å; F124-F178 HydrophobicContact CZ-CD1 3.62Å; F124-F178 HydrophobicContact CZ-CE1 4.43Å; F124-F178 HydrophobicContact CZ-CG 4.19Å; F124-F178 WeakPolarHBondContact O-CD1 3.49Å; F124-F178 VanDerWaalsContact O-CE1 3.23Å; F124-F178 WeakPolarHBondContact O-CE1 3.12Å; R127-F178 HydrophobicContact CG-CD1 3.75Å; R127-F178 HydrophobicContact CG-CE1 3.81Å; R127-F178 HydrophobicContact CG-CG 4.34Å; R127-F178 HydrophobicContact CG-CZ 4.43Å; F178-Y180 PolarHBondContact O-N 3.19Å
179	P	93.3	Very high	71.7	Confident	2 Å²	2	81.8 Å²	81.8	1%	0.013	42%	0.416	C	S	.	.	S	Bend	trans	-68.9	-25	178.2	27.7	-34.4	0	0	0	112.6	Y122 F124 T138 V141 W142 E143	Y122-P179 HydrophobicContact CE1-CG 4.06Å; Y122-P179 WeakPolarHBondContact OH-CD 3.45Å; F124-P179 HydrophobicContact CD2-CG 4.19Å; F124-P179 HydrophobicContact CE2-CG 3.89Å; T138-P179 HydrophobicContact CG2-CB 4.33Å; T138-P179 HydrophobicContact CG2-CG 4.25Å; V141-P179 HydrophobicContact CG2-CB 4.17Å; V141-P179 HydrophobicContact CG2-CG 4.46Å; W142-P179 CarbonylContact C-O 3.6Å; W142-P179 VanDerWaalsContact CA-O 3.3Å; W142-P179 WeakPolarHBondContact CA-O 3.47Å; W142-P179 HydrophobicContact CE3-CB 3.69Å; W142-P179 HydrophobicContact CZ3-CB 4Å; E143-P179 PolarHBondContact N-O 2.71Å
180	Y	94.2	Very high	69.1	Low	4 Å²	4	84.6 Å²	84.6	2%	0.016	43%	0.433	C	S	.	.	S	Bend	trans	-154.8	160.9	177.5	55.4	-97.4	0	0	0	111.9	V46 P55 A57 I60 F124 V141 F178 V182	V46-Y180 HydrophobicContact CG1-CD1 4.18Å; V46-Y180 HydrophobicContact CG1-CD2 4.28Å; V46-Y180 HydrophobicContact CG1-CE1 3.59Å; V46-Y180 HydrophobicContact CG1-CE2 3.67Å; V46-Y180 WeakPolarHBondContact CG1-OH 3.5Å; P55-Y180 WeakPolarHBondContact CD-OH 3.44Å; P55-Y180 HydrophobicContact CG-CE2 4.22Å; P55-Y180 VanDerWaalsContact O-CE2 3.3Å; P55-Y180 WeakPolarHBondContact O-CE2 3.4Å; P55-Y180 PolarHBondContact O-OH 2.92Å; A57-Y180 HydrophobicContact CB-CD2 3.46Å; A57-Y180 VanDerWaalsContact CB-CD2 3.46Å; A57-Y180 HydrophobicContact CB-CE2 3.83Å; A57-Y180 HydrophobicContact CB-CG 4.01Å; I60-Y180 HydrophobicContact CD1-CD1 4.1Å; I60-Y180 HydrophobicContact CD1-CG 3.97Å; F124-Y180 HydrophobicContact CD2-CE1 4.04Å; F124-Y180 HydrophobicContact CD2-CE2 4.2Å; F124-Y180 AromaticContact CD2-CZ 3.72Å; F124-Y180 HydrophobicContact CE2-CD1 4.02Å; F124-Y180 AromaticContact CE2-CD2 3.8Å; F124-Y180 HydrophobicContact CE2-CD2 3.8Å; F124-Y180 AromaticContact CE2-CE1 3.62Å; F124-Y180 HydrophobicContact CE2-CE1 3.62Å; F124-Y180 AromaticContact CE2-CE2 3.43Å; F124-Y180 HydrophobicContact CE2-CE2 3.43Å; F124-Y180 VanDerWaalsContact CE2-CE2 3.43Å; F124-Y180 HydrophobicContact CE2-CG 4.1Å; F124-Y180 AromaticContact CE2-CZ 3.32Å; F124-Y180 HydrophobicContact CZ-CD2 4.08Å; F124-Y180 AromaticContact CZ-CE2 3.89Å; F124-Y180 HydrophobicContact CZ-CE2 3.89Å; F124-Y180 WeakPolarHBondContact CZ-O 3.48Å; V141-Y180 HydrophobicContact CB-CD1 4.2Å; V141-Y180 HydrophobicContact CB-CE1 4.42Å; V141-Y180 HydrophobicContact CG2-CD1 3.83Å; V141-Y180 HydrophobicContact CG2-CE1 3.85Å; F178-Y180 PolarHBondContact O-N 3.19Å; Y180-V182 HydrophobicContact CE2-CG2 4.47Å
181	S	91.4	Very high	66.5	Low	55 Å²	55	84.5 Å²	84.5	39%	0.385	43%	0.43	S	S	.	.			trans	-75.2	137.3	172.7	-58.4	0	0	0	0	111.1	A57 K58 E143	A57-S181 CarbonylContact C-O 3.59Å; A57-S181 WeakPolarHBondContact CA-O 3.36Å; K58-S181 WeakPolarHBondContact CB-O 3.4Å; K58-S181 PolarHBondContact N-O 3Å; E143-S181 VanDerWaalsContact OE2-CB 3.24Å; E143-S181 WeakPolarHBondContact OE2-CB 3.28Å; E143-S181 PolarHBondContact OE2-N 2.78Å; E143-S181 PolarHBondContact OE2-OG 2.85Å
182	V	89.3	Confident	64.1	Low	35 Å²	35	89.5 Å²	89.5	21%	0.212	45%	0.451	C	S	.	.	B	Isolated β-bridge	trans	-87.3	141.4	-178.2	176.7	0	0	0	0	112.3	P55 I56 F124 Y180 G184 Y186	P55-V182 HydrophobicContact CB-CG1 3.85Å; P55-V182 HydrophobicContact CB-CG2 3.84Å; P55-V182 HydrophobicContact CG-CG2 3.78Å; I56-V182 CarbonylContact O-C 3.6Å; I56-V182 WeakPolarHBondContact O-CA 3.4Å; F124-V182 HydrophobicContact CD1-CG2 4.37Å; F124-V182 HydrophobicContact CE1-CG2 3.38Å; F124-V182 HydrophobicContact CZ-CG2 3.47Å; F124-V182 VanDerWaalsContact CZ-CG2 3.47Å; Y180-V182 HydrophobicContact CE2-CG2 4.47Å; V182-G184 PolarHBondContact O-N 2.95Å; V182-Y186 HydrophobicContact CG1-CD2 3.63Å; V182-Y186 HydrophobicContact CG1-CE2 4.47Å; V182-Y186 HydrophobicContact CG1-CG 4.04Å
183	K	84.4	Confident	62	Low	134 Å²	134	92.8 Å²	92.8	58%	0.583	46%	0.459	S	S	*	.	S	Bend	trans	-74	114.8	174.8	-166.8	171.3	-178.4	174.3	0	110.6	I56	I56-K183 HydrophobicContact CB-CB 4.24Å; I56-K183 HydrophobicContact CG2-CB 4.01Å; I56-K183 HydrophobicContact CG2-CD 4.13Å; I56-K183 PolarHBondContact O-N 2.81Å
184	G	69	Low	60.9	Low	61 Å²	61	92 Å²	92	63%	0.629	45%	0.451	S	S	*	.	S	Bend	trans	78.1	175.1	177	0	0	0	0	0	113.9	V182 Y186	V182-G184 PolarHBondContact O-N 2.95Å; G184-Y186 VanDerWaalsContact C-N 3.34Å; G184-Y186 PolarHBondContact O-N 2.04Å
185	L	50.3	Low	60.3	Low	139 Å²	139	95.5 Å²	95.5	73%	0.728	46%	0.457	S	S	*	.			trans	-72.2	87.2	177	-74.5	166.6	0	0	0	110.2	R187	L185-R187 HydrophobicContact CB-CG 4.1Å; L185-R187 HydrophobicContact CD2-CG 4.45Å; L185-R187 PolarHBondContact O-N 3Å
186	Y	48.5	Very low	59.8	Low	86 Å²	86	92.3 Å²	92.3	34%	0.337	43%	0.431	S	S	.	.			trans	-68.3	58.9	156.7	-115.6	-94	0	0	0	109.4	P55 F125 V182 G184 T190	P55-Y186 HydrophobicContact CB-CD2 4.29Å; P55-Y186 HydrophobicContact CB-CE2 4.06Å; F125-Y186 AromaticContact CE1-CD1 3.61Å; F125-Y186 HydrophobicContact CE1-CD1 3.61Å; F125-Y186 HydrophobicContact CE1-CE1 4.27Å; F125-Y186 HydrophobicContact CE1-CG 4.15Å; F125-Y186 HydrophobicContact CE2-CD1 4.16Å; F125-Y186 HydrophobicContact CE2-CE1 4.03Å; F125-Y186 AromaticContact CZ-CD1 3.19Å; F125-Y186 HydrophobicContact CZ-CD1 3.19Å; F125-Y186 AromaticContact CZ-CE1 3.39Å; F125-Y186 HydrophobicContact CZ-CE1 3.39Å; F125-Y186 HydrophobicContact CZ-CG 4.02Å; V182-Y186 HydrophobicContact CG1-CD2 3.63Å; V182-Y186 HydrophobicContact CG1-CE2 4.47Å; V182-Y186 HydrophobicContact CG1-CG 4.04Å; G184-Y186 VanDerWaalsContact C-N 3.34Å; G184-Y186 PolarHBondContact O-N 2.04Å; Y186-T190 VanDerWaalsContact CD1-CB 3.49Å; Y186-T190 HydrophobicContact CD1-CG2 4.16Å; Y186-T190 WeakPolarHBondContact CD1-OG1 3.5Å; Y186-T190 HydrophobicContact CE1-CG2 3.63Å; Y186-T190 WeakPolarHBondContact CE1-OG1 3.43Å
187	R	40.1	Very low	59	Low	173 Å²	173	87 Å²	87	65%	0.653	41%	0.411	S	S	*	.			trans	-53.6	145.2	175.1	-95.4	167	171.1	-172.5	-2	108.4	L185 W189 T190	L185-R187 HydrophobicContact CB-CG 4.1Å; L185-R187 HydrophobicContact CD2-CG 4.45Å; L185-R187 PolarHBondContact O-N 3Å; R187-W189 PolarHBondContact O-N 2.97Å; R187-T190 PolarHBondContact O-N 3.38Å; R187-T190 PolarHBondContact O-OG1 2.83Å
188	Q	37.2	Very low	57.1	Low	160 Å²	160	83.7 Å²	83.7	75%	0.748	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.4	-18.6	-169.4	-68.6	165.9	-26.3	0	0	117.4	I191 K192	Q188-I191 WeakPolarHBondContact O-CB 3.33Å; Q188-I191 PolarHBondContact O-N 2.92Å; Q188-K192 PolarHBondContact O-N 3.12Å
189	W	34.4	Very low	54.8	Low	172 Å²	172	81.8 Å²	81.8	65%	0.652	39%	0.393	S	S	*	.	H	α-helix	trans	-53.6	-51.8	172.1	-66.9	92.7	0	0	0	113.7	R187 I191 K192 Y193	R187-W189 PolarHBondContact O-N 2.97Å; W189-I191 PolarHBondContact O-N 3.11Å; W189-K192 WeakPolarHBondContact O-CB 3.3Å; W189-K192 PolarHBondContact O-N 2.73Å; W189-Y193 VanDerWaalsContact O-CD2 3.22Å; W189-Y193 WeakPolarHBondContact O-CD2 3.47Å; W189-Y193 PolarHBondContact O-N 3.4Å; W189-Y193 VanDerWaalsContact O-N 3.14Å
190	T	42.4	Very low	52.5	Low	58 Å²	58	90.6 Å²	90.6	36%	0.356	43%	0.426	S	S	.	.	H	α-helix	trans	-65.3	-31	176.7	12.9	0	0	0	0	111.9	Y186 R187 K192 Y193 G194	Y186-T190 VanDerWaalsContact CD1-CB 3.49Å; Y186-T190 HydrophobicContact CD1-CG2 4.16Å; Y186-T190 WeakPolarHBondContact CD1-OG1 3.5Å; Y186-T190 HydrophobicContact CE1-CG2 3.63Å; Y186-T190 WeakPolarHBondContact CE1-OG1 3.43Å; R187-T190 PolarHBondContact O-N 3.38Å; R187-T190 PolarHBondContact O-OG1 2.83Å; T190-K192 VanDerWaalsContact C-N 3.29Å; T190-K192 PolarHBondContact O-N 3.06Å; T190-Y193 PolarHBondContact O-N 2.91Å; T190-G194 PolarHBondContact O-N 3.4Å
191	I	42.3	Very low	49.9	Very low	34 Å²	34	96 Å²	96	17%	0.174	45%	0.447	C	S	.	.	H	α-helix	trans	-67.2	-30.2	174.2	-46.7	-176.7	0	0	0	111.5	F125 Q188 W189 R195	F125-I191 HydrophobicContact CB-CD1 4.26Å; F125-I191 HydrophobicContact CB-CG1 4.24Å; F125-I191 HydrophobicContact CB-CG2 3.73Å; F125-I191 HydrophobicContact CD1-CD1 3.65Å; F125-I191 HydrophobicContact CD1-CG1 3.64Å; F125-I191 HydrophobicContact CD2-CG1 4.36Å; F125-I191 HydrophobicContact CE1-CD1 4.35Å; F125-I191 HydrophobicContact CE1-CG1 4.11Å; F125-I191 HydrophobicContact CG-CB 4.42Å; F125-I191 HydrophobicContact CG-CD1 4.09Å; F125-I191 HydrophobicContact CG-CG1 3.79Å; F125-I191 HydrophobicContact CG-CG2 4.1Å; Q188-I191 WeakPolarHBondContact O-CB 3.33Å; Q188-I191 PolarHBondContact O-N 2.92Å; W189-I191 PolarHBondContact O-N 3.11Å; I191-R195 WeakPolarHBondContact O-CB 3.39Å; I191-R195 WeakPolarHBondContact O-CG 3.47Å; I191-R195 PolarHBondContact O-N 3.31Å; I191-R195 PolarHBondContact O-NE 3.43Å; I191-R195 VanDerWaalsContact O-NE 3.13Å
192	K	41	Very low	47.5	Very low	112 Å²	112	98.1 Å²	98.1	49%	0.487	45%	0.447	S	S	.	.	H	α-helix	trans	-74.5	-33.3	174	-168.3	176.5	-177.1	176.5	0	112.2	Q188 W189 T190	Q188-K192 PolarHBondContact O-N 3.12Å; W189-K192 WeakPolarHBondContact O-CB 3.3Å; W189-K192 PolarHBondContact O-N 2.73Å; T190-K192 VanDerWaalsContact C-N 3.29Å; T190-K192 PolarHBondContact O-N 3.06Å
193	Y	41.4	Very low	45	Very low	83 Å²	83	99 Å²	99	33%	0.325	46%	0.463	S	S	.	.	H	α-helix	trans	-81.8	-40.9	175.9	-73.3	-72.8	0	0	0	112.9	W189 T190 R195 K196 W197	W189-Y193 VanDerWaalsContact O-CD2 3.22Å; W189-Y193 WeakPolarHBondContact O-CD2 3.47Å; W189-Y193 PolarHBondContact O-N 3.4Å; W189-Y193 VanDerWaalsContact O-N 3.14Å; T190-Y193 PolarHBondContact O-N 2.91Å; Y193-R195 PolarHBondContact O-N 2.96Å; Y193-K196 WeakPolarHBondContact O-CB 3.39Å; Y193-K196 PolarHBondContact O-N 3.04Å; Y193-K196 VanDerWaalsContact O-N 3.14Å; Y193-W197 PolarHBondContact O-N 3.42Å
194	G	42.5	Very low	42.9	Very low	29 Å²	29	99.2 Å²	99.2	30%	0.299	46%	0.46	S	S	.	.	H	α-helix	trans	-57.8	-47.2	174.4	0	0	0	0	0	112.1	T190 K196 W197 Y198	T190-G194 PolarHBondContact O-N 3.4Å; G194-K196 VanDerWaalsContact C-N 3.32Å; G194-K196 PolarHBondContact O-N 3.35Å; G194-W197 PolarHBondContact O-N 2.96Å; G194-W197 VanDerWaalsContact O-N 3.09Å; G194-Y198 PolarHBondContact O-N 2.58Å
195	R	43.1	Very low	41.4	Very low	129 Å²	129	108.2 Å²	108.2	49%	0.487	48%	0.475	S	S	.	.	H	α-helix	trans	-60	-36.1	174.5	-78	-175.4	-75.5	-166.6	0.5	113.6	I191 Y193 S199	I191-R195 WeakPolarHBondContact O-CB 3.39Å; I191-R195 WeakPolarHBondContact O-CG 3.47Å; I191-R195 PolarHBondContact O-N 3.31Å; I191-R195 PolarHBondContact O-NE 3.43Å; I191-R195 VanDerWaalsContact O-NE 3.13Å; Y193-R195 PolarHBondContact O-N 2.96Å; R195-S199 VanDerWaalsContact O-CB 3.28Å; R195-S199 WeakPolarHBondContact O-CB 3.46Å; R195-S199 PolarHBondContact O-N 2.94Å
196	K	44.1	Very low	40.6	Very low	50 Å²	50	107 Å²	107	22%	0.217	48%	0.477	C	S	.	.	H	α-helix	trans	-65.1	-47.4	171.2	-82.5	-163.8	-113.9	170.5	0	111.4	Y193 G194 S199 W200	Y193-K196 WeakPolarHBondContact O-CB 3.39Å; Y193-K196 PolarHBondContact O-N 3.04Å; Y193-K196 VanDerWaalsContact O-N 3.14Å; G194-K196 VanDerWaalsContact C-N 3.32Å; G194-K196 PolarHBondContact O-N 3.35Å; K196-S199 WeakPolarHBondContact O-CB 3.49Å; K196-S199 PolarHBondContact O-N 2.82Å; K196-W200 WeakPolarHBondContact O-CB 3.37Å; K196-W200 PolarHBondContact O-N 3.36Å
197	W	43.2	Very low	40.1	Very low	111 Å²	111	109 Å²	109	42%	0.42	49%	0.489	S	S	.	.	H	α-helix	trans	-66.3	-40.5	-174.6	-165.4	91.5	0	0	0	111.8	E52 Y193 G194 W200 R201	E52-W197 WeakPolarHBondContact OE1-CH2 3.41Å; Y193-W197 PolarHBondContact O-N 3.42Å; G194-W197 PolarHBondContact O-N 2.96Å; G194-W197 VanDerWaalsContact O-N 3.09Å; W197-W200 PolarHBondContact O-N 3.12Å; W197-W200 VanDerWaalsContact O-N 3.13Å; W197-R201 VanDerWaalsContact CH2-NH1 3.33Å; W197-R201 PolarHBondContact O-N 3.24Å
198	Y	37.7	Very low	39.9	Very low	34 Å²	34	112.6 Å²	112.6	13%	0.133	50%	0.503	C	S	.	.	H	α-helix	trans	-62	-45.2	172.2	-119.3	-69.6	0	0	0	112.5	K120 N121 Y122 L130 G194 W200 R201 Y202	K120-Y198 PolarHBondContact O-OH 3.25Å; N121-Y198 WeakPolarHBondContact CA-OH 3.42Å; N121-Y198 PolarHBondContact O-OH 2.73Å; Y122-Y198 PolarHBondContact N-OH 3.02Å; L130-Y198 HydrophobicContact CB-CE1 4.38Å; L130-Y198 HydrophobicContact CD1-CD1 3.33Å; L130-Y198 HydrophobicContact CD1-CD2 4.24Å; L130-Y198 HydrophobicContact CD1-CE1 3.18Å; L130-Y198 HydrophobicContact CD1-CE2 4.1Å; L130-Y198 HydrophobicContact CD1-CG 3.87Å; L130-Y198 HydrophobicContact CG-CE1 4.37Å; G194-Y198 PolarHBondContact O-N 2.58Å; Y198-W200 PolarHBondContact O-N 3.49Å; Y198-R201 PolarHBondContact O-N 2.81Å; Y198-Y202 AromaticContact CD1-CD2 3.29Å; Y198-Y202 HydrophobicContact CD1-CD2 3.29Å; Y198-Y202 AromaticContact CD1-CE2 3.57Å; Y198-Y202 HydrophobicContact CD1-CE2 3.57Å; Y198-Y202 HydrophobicContact CD1-CG 4.24Å; Y198-Y202 AromaticContact CE1-CD2 3.43Å; Y198-Y202 HydrophobicContact CE1-CD2 3.43Å; Y198-Y202 VanDerWaalsContact CE1-CD2 3.43Å; Y198-Y202 AromaticContact CE1-CE2 3.26Å; Y198-Y202 HydrophobicContact CE1-CE2 3.26Å; Y198-Y202 HydrophobicContact CE1-CG 4.31Å; Y198-Y202 HydrophobicContact CG-CD2 4.32Å; Y198-Y202 PolarHBondContact O-N 2.93Å; Y198-Y202 VanDerWaalsContact O-N 3.14Å
199	S	40.2	Very low	39.9	Very low	57 Å²	57	113.3 Å²	113.3	40%	0.399	51%	0.506	S	S	.	.	H	α-helix	trans	-59.7	-24.8	173.7	-177.3	0	0	0	0	113.4	R195 K196	R195-S199 VanDerWaalsContact O-CB 3.28Å; R195-S199 WeakPolarHBondContact O-CB 3.46Å; R195-S199 PolarHBondContact O-N 2.94Å; K196-S199 WeakPolarHBondContact O-CB 3.49Å; K196-S199 PolarHBondContact O-N 2.82Å
200	W	45.4	Very low	40	Very low	187 Å²	187	114.7 Å²	114.7	71%	0.708	51%	0.513	S	S	*	.	H	α-helix	trans	-92.5	-41	-178.3	-149.6	82.6	0	0	0	112.7	K196 W197 Y198 Y240	K196-W200 WeakPolarHBondContact O-CB 3.37Å; K196-W200 PolarHBondContact O-N 3.36Å; W197-W200 PolarHBondContact O-N 3.12Å; W197-W200 VanDerWaalsContact O-N 3.13Å; Y198-W200 PolarHBondContact O-N 3.49Å; W200-Y240 AromaticContact CH2-CD1 3.9Å; W200-Y240 HydrophobicContact CH2-CD1 3.9Å; W200-Y240 HydrophobicContact CH2-CE1 4.25Å; W200-Y240 HydrophobicContact CZ3-CD1 4.33Å; W200-Y240 HydrophobicContact CZ3-CE1 4.49Å
201	R	40.3	Very low	39.8	Very low	118 Å²	118	115.5 Å²	115.5	45%	0.445	52%	0.517	S	S	.	.	H	α-helix	trans	-70.7	-36.4	178	-172.5	179.9	-114.7	-175.9	8.2	112.8	E52 W197 Y198	E52-R201 IonicContact OE1-CZ 3.51Å; E52-R201 IonicContact OE1-NH1 3.47Å; E52-R201 PolarHBondContact OE1-NH1 3.03Å; E52-R201 IonicContact OE1-NH2 2.8Å; E52-R201 PolarHBondContact OE1-NH2 3.23Å; E52-R201 IonicContact OE2-CZ 3.52Å; E52-R201 IonicContact OE2-NH1 2.88Å; E52-R201 PolarHBondContact OE2-NH1 3.26Å; E52-R201 IonicContact OE2-NH2 3.18Å; E52-R201 PolarHBondContact OE2-NH2 2.67Å; W197-R201 VanDerWaalsContact CH2-NH1 3.33Å; W197-R201 PolarHBondContact O-N 3.24Å; Y198-R201 PolarHBondContact O-N 2.81Å
202	Y	40.7	Very low	39.4	Very low	98 Å²	98	123.5 Å²	123.5	38%	0.384	55%	0.551	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.7	13.9	-170.7	-66.6	-86.4	0	0	0	115.3	K120 Y198	K120-Y202 PolarHBondContact O-OH 2.92Å; Y198-Y202 AromaticContact CD1-CD2 3.29Å; Y198-Y202 HydrophobicContact CD1-CD2 3.29Å; Y198-Y202 AromaticContact CD1-CE2 3.57Å; Y198-Y202 HydrophobicContact CD1-CE2 3.57Å; Y198-Y202 HydrophobicContact CD1-CG 4.24Å; Y198-Y202 AromaticContact CE1-CD2 3.43Å; Y198-Y202 HydrophobicContact CE1-CD2 3.43Å; Y198-Y202 VanDerWaalsContact CE1-CD2 3.43Å; Y198-Y202 AromaticContact CE1-CE2 3.26Å; Y198-Y202 HydrophobicContact CE1-CE2 3.26Å; Y198-Y202 HydrophobicContact CE1-CG 4.31Å; Y198-Y202 HydrophobicContact CG-CD2 4.32Å; Y198-Y202 PolarHBondContact O-N 2.93Å; Y198-Y202 VanDerWaalsContact O-N 3.14Å
203	G	36.1	Very low	39.3	Very low	55 Å²	55	126.3 Å²	126.3	57%	0.567	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	43.9	86.5	161.2	0	0	0	0	0	117.3	R205	G203-R205 PolarHBondContact O-N 3.34Å
204	R	40.3	Very low	39.5	Very low	138 Å²	138	128.9 Å²	128.9	52%	0.521	58%	0.575	S	S	.	*			trans	-6.8	81.2	169.4	-64.2	-171.7	-69.5	-88	10.8	117	H207	R204-H207 VanDerWaalsContact CD-O 3.28Å; R204-H207 WeakPolarHBondContact CD-O 3.47Å
205	R	38.5	Very low	39.7	Very low	249 Å²	249	131.1 Å²	131.1	94%	0.94	59%	0.585	S	S	*	*	S	Bend	trans	-91	-6.3	154.6	-152	174.1	-82.2	-165.3	-3.8	112.3	G203	G203-R205 PolarHBondContact O-N 3.34Å
206	C	32.8	Very low	40.3	Very low	113 Å²	113	128.6 Å²	128.6	76%	0.764	58%	0.582	S	S	*	*	S	Bend	trans	-125.4	150.5	163.4	-62.1	0	0	0	0	110.3
207	H	37.8	Very low	40.9	Very low	129 Å²	129	132.4 Å²	132.4	60%	0.597	60%	0.6	S	S	*	*			trans	61.6	80.5	-177.7	-97.1	-69.5	0	0	0	117.4	R204 E209	R204-H207 VanDerWaalsContact CD-O 3.28Å; R204-H207 WeakPolarHBondContact CD-O 3.47Å; H207-E209 VanDerWaalsContact C-N 3.3Å; H207-E209 PolarHBondContact O-N 3.17Å
208	R	36.3	Very low	41.7	Very low	248 Å²	248	131 Å²	131	94%	0.936	60%	0.604	S	S	*	*	S	Bend	trans	-73.6	-13.7	170.5	-128	176.2	-174.9	-178.5	0.4	114.4
209	E	37.7	Very low	42.5	Very low	176 Å²	176	131.3 Å²	131.3	82%	0.822	61%	0.608	S	S	*	*	S	Bend	trans	-100.1	-20.5	-174.6	-63.5	-158.6	124.1	0	0	116.2	H207 V211	H207-E209 VanDerWaalsContact C-N 3.3Å; H207-E209 PolarHBondContact O-N 3.17Å; E209-V211 VanDerWaalsContact C-N 3.32Å; E209-V211 PolarHBondContact O-N 3.41Å
210	Y	37.2	Very low	43.2	Very low	200 Å²	200	130.5 Å²	130.5	78%	0.784	60%	0.598	S	S	*	*	S	Bend	trans	-85.5	6.7	-167.5	-140.2	-94	0	0	0	115.4
211	V	37	Very low	44.1	Very low	75 Å²	75	130.4 Å²	130.4	46%	0.455	60%	0.597	S	S	.	*			trans	-129.8	71.2	-175.3	-168.8	0	0	0	0	111.6	E209	E209-V211 VanDerWaalsContact C-N 3.32Å; E209-V211 PolarHBondContact O-N 3.41Å
212	K	34.5	Very low	45	Very low	202 Å²	202	129.9 Å²	129.9	88%	0.878	60%	0.6	S	S	*	*			trans	-115.8	13.2	171.2	-99.2	-175.8	175.3	179.5	0	114.7
213	Q	38.3	Very low	45.6	Very low	172 Å²	172	126.2 Å²	126.2	80%	0.804	59%	0.586	S	S	*	*			trans	-142	98.9	178.4	-66.8	-173.2	4.9	0	0	114.6
214	R	46.1	Very low	46.8	Very low	136 Å²	136	127.3 Å²	127.3	51%	0.513	58%	0.579	S	S	.	*			trans	177.3	136.6	148.9	-102.9	175.5	-169.7	97.2	16.1	107.8	N219	R214-N219 PolarHBondContact NE-OD1 2.78Å; R214-N219 VanDerWaalsContact NE-OD1 3.09Å; R214-N219 PolarHBondContact NH2-OD1 2.94Å
215	C	46.7	Very low	47.9	Very low	76 Å²	76	127.9 Å²	127.9	51%	0.514	59%	0.588	S	S	.	*			cis	-95.3	150.1	12.4	-168.5	0	0	0	0	113.7	C242	C215-C242 VanDerWaalsContact SG-SG 3.65Å
216	N	54.9	Low	48.7	Very low	77 Å²	77	119 Å²	119	41%	0.412	56%	0.561	S	S	.	*			trans	-140.8	156.7	164	88.2	-11.7	0	0	0	110.8	T218 N219 E220	N216-T218 PolarHBondContact O-N 2.9Å; N216-T218 VanDerWaalsContact O-N 3.1Å; N216-T218 WeakPolarHBondContact OD1-CB 3.44Å; N216-T218 PolarHBondContact OD1-N 2.83Å; N216-N219 PolarHBondContact O-N 3.36Å; N216-N219 PolarHBondContact OD1-N 3.2Å; N216-N219 PolarHBondContact OD1-ND2 3.13Å; N216-E220 PolarHBondContact O-N 2.97Å
217	H	57.3	Low	49.6	Very low	130 Å²	130	119.8 Å²	119.8	60%	0.602	57%	0.565	S	S	*	*	H	α-helix	trans	-55.5	-30	-175.5	-77.3	-63	0	0	0	114.4	N219 E220 R221	H217-N219 PolarHBondContact O-N 2.91Å; H217-E220 IonicContact ND1-OE2 3.51Å; H217-E220 PolarHBondContact O-N 3.16Å; H217-R221 PolarHBondContact O-N 2.84Å
218	T	60.2	Low	50.4	Low	82 Å²	82	117.7 Å²	117.7	50%	0.503	56%	0.561	S	S	.	*	H	α-helix	trans	-63.7	-39.5	178.3	-38.1	0	0	0	0	112.1	N216 Q222	N216-T218 PolarHBondContact O-N 2.9Å; N216-T218 VanDerWaalsContact O-N 3.1Å; N216-T218 WeakPolarHBondContact OD1-CB 3.44Å; N216-T218 PolarHBondContact OD1-N 2.83Å; T218-Q222 WeakPolarHBondContact O-CG 3.2Å; T218-Q222 PolarHBondContact O-N 3.34Å
219	N	54.2	Low	51.1	Low	40 Å²	40	109.3 Å²	109.3	21%	0.214	53%	0.534	C	S	.	.	H	α-helix	trans	-69.2	-36.1	176.3	-73.9	-104.5	0	0	0	111.4	R214 N216 H217 L223	R214-N219 PolarHBondContact NE-OD1 2.78Å; R214-N219 VanDerWaalsContact NE-OD1 3.09Å; R214-N219 PolarHBondContact NH2-OD1 2.94Å; N216-N219 PolarHBondContact O-N 3.36Å; N216-N219 PolarHBondContact OD1-N 3.2Å; N216-N219 PolarHBondContact OD1-ND2 3.13Å; H217-N219 PolarHBondContact O-N 2.91Å; N219-L223 WeakPolarHBondContact O-CD1 3.06Å; N219-L223 WeakPolarHBondContact O-CG 2.91Å; N219-L223 PolarHBondContact O-N 2.97Å
220	E	56.1	Low	51.9	Low	40 Å²	40	109.7 Å²	109.7	19%	0.187	54%	0.536	C	S	.	.	H	α-helix	trans	-67.6	-44.8	179.1	-167.5	174.7	-154.6	0	0	111.4	N216 H217 Q222 L223 N224 K245	N216-E220 PolarHBondContact O-N 2.97Å; H217-E220 IonicContact ND1-OE2 3.51Å; H217-E220 PolarHBondContact O-N 3.16Å; E220-Q222 PolarHBondContact O-N 3.47Å; E220-L223 PolarHBondContact O-N 3.08Å; E220-N224 PolarHBondContact O-N 2.95Å; E220-N224 VanDerWaalsContact O-N 3.15Å; E220-N224 PolarHBondContact O-ND2 3.44Å; E220-K245 IonicContact OE1-NZ 3.08Å; E220-K245 PolarHBondContact OE1-NZ 2.93Å; E220-K245 VanDerWaalsContact OE1-NZ 3.08Å; E220-K245 IonicContact OE2-NZ 3.38Å; E220-K245 PolarHBondContact OE2-NZ 3.11Å
221	R	62.7	Low	52.9	Low	184 Å²	184	103.4 Å²	103.4	69%	0.694	52%	0.518	S	S	*	.	H	α-helix	trans	-60.2	-44.9	175	-71.5	-175.5	-174	-176.9	2.8	112.5	H217 L223 N224 Q225	H217-R221 PolarHBondContact O-N 2.84Å; R221-L223 VanDerWaalsContact C-N 3.35Å; R221-L223 PolarHBondContact O-N 3.21Å; R221-N224 PolarHBondContact O-N 3Å; R221-Q225 WeakPolarHBondContact O-CG 3.37Å; R221-Q225 PolarHBondContact O-N 2.68Å
222	Q	59	Low	53.9	Low	107 Å²	107	108.3 Å²	108.3	50%	0.5	53%	0.534	S	S	.	.	H	α-helix	trans	-63.4	-37.6	178.9	-74	179.3	-10	0	0	112.9	T218 E220 Q225 T226	T218-Q222 WeakPolarHBondContact O-CG 3.2Å; T218-Q222 PolarHBondContact O-N 3.34Å; E220-Q222 PolarHBondContact O-N 3.47Å; Q222-Q225 PolarHBondContact O-N 2.79Å; Q222-T226 PolarHBondContact O-OG1 2.84Å
223	L	54.6	Low	54.9	Low	21 Å²	21	100.5 Å²	100.5	11%	0.11	51%	0.51	C	S	.	.	H	α-helix	trans	-65.3	-42.7	175.6	-72.9	162.6	0	0	0	111.7	N219 E220 R221 Q225 T226 Y234 I237 L241	N219-L223 WeakPolarHBondContact O-CD1 3.06Å; N219-L223 WeakPolarHBondContact O-CG 2.91Å; N219-L223 PolarHBondContact O-N 2.97Å; E220-L223 PolarHBondContact O-N 3.08Å; R221-L223 VanDerWaalsContact C-N 3.35Å; R221-L223 PolarHBondContact O-N 3.21Å; L223-Q225 PolarHBondContact O-N 3.25Å; L223-T226 PolarHBondContact O-N 2.87Å; L223-Y234 WeakPolarHBondContact O-CE2 3.07Å; L223-Y234 PolarHBondContact O-OH 3.13Å; L223-I237 HydrophobicContact CD2-CG2 4.11Å; L223-L241 HydrophobicContact CD1-CD1 3.68Å; L223-L241 HydrophobicContact CD2-CD1 4.25Å
224	N	60.4	Low	55.7	Low	78 Å²	78	93.3 Å²	93.3	42%	0.417	48%	0.476	S	S	.	.	H	α-helix	trans	-70.7	-13.5	179	-67	-25.7	0	0	0	113.9	E220 R221 I229 Y234	E220-N224 PolarHBondContact O-N 2.95Å; E220-N224 VanDerWaalsContact O-N 3.15Å; E220-N224 PolarHBondContact O-ND2 3.44Å; R221-N224 PolarHBondContact O-N 3Å; N224-I229 WeakPolarHBondContact O-CD1 3.3Å; N224-Y234 PolarHBondContact OD1-OH 3.37Å
225	Q	63.8	Low	56.2	Low	151 Å²	151	93.7 Å²	93.7	71%	0.706	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	-5.1	176.4	-72.9	173.5	-20.4	0	0	113.9	R221 Q222 L223	R221-Q225 WeakPolarHBondContact O-CG 3.37Å; R221-Q225 PolarHBondContact O-N 2.68Å; Q222-Q225 PolarHBondContact O-N 2.79Å; L223-Q225 PolarHBondContact O-N 3.25Å
226	T	54.4	Low	56.7	Low	61 Å²	61	93.6 Å²	93.6	37%	0.374	48%	0.476	S	S	.	.	S	Bend	trans	-84.3	122.1	-175.1	-54.5	0	0	0	0	110.2	Q222 L223 V228 I229	Q222-T226 PolarHBondContact O-OG1 2.84Å; L223-T226 PolarHBondContact O-N 2.87Å; T226-V228 PolarHBondContact O-N 3.36Å; T226-I229 WeakPolarHBondContact O-CG1 3.4Å; T226-I229 PolarHBondContact O-N 2.94Å
227	P	52.6	Low	56.7	Low	130 Å²	130	93 Å²	93	84%	0.844	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-7.2	-171.4	-28.6	35.6	0	0	0	118	I229	P227-I229 VanDerWaalsContact C-N 3.35Å; P227-I229 PolarHBondContact O-N 3.2Å
228	V	55.1	Low	56.5	Low	85 Å²	85	91.2 Å²	91.2	52%	0.515	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	22.7	-170.8	-163.2	0	0	0	0	112.1	T226 Q230 T231	T226-V228 PolarHBondContact O-N 3.36Å; V228-Q230 PolarHBondContact O-N 3.38Å; V228-T231 HydrophobicContact CG1-CG2 3.48Å; V228-T231 VanDerWaalsContact CG1-CG2 3.48Å; V228-T231 PolarHBondContact O-N 2.76Å; V228-T231 PolarHBondContact O-OG1 3.08Å
229	I	49.9	Very low	56.4	Low	73 Å²	73	91.6 Å²	91.6	37%	0.374	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-27.6	-171.4	-50.7	-171.1	0	0	0	113.7	N224 T226 P227 Y234	N224-I229 WeakPolarHBondContact O-CD1 3.3Å; T226-I229 WeakPolarHBondContact O-CG1 3.4Å; T226-I229 PolarHBondContact O-N 2.94Å; P227-I229 VanDerWaalsContact C-N 3.35Å; P227-I229 PolarHBondContact O-N 3.2Å; I229-Y234 HydrophobicContact CB-CE1 4.37Å; I229-Y234 HydrophobicContact CG2-CD1 4.12Å; I229-Y234 HydrophobicContact CG2-CE1 3.58Å; I229-Y234 HydrophobicContact CG2-CE2 4.49Å; I229-Y234 WeakPolarHBondContact O-CD1 3.41Å; I229-Y234 VanDerWaalsContact O-CG 3.28Å
230	Q	55.3	Low	56.2	Low	184 Å²	184	96 Å²	96	86%	0.86	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-6.8	-170.5	-60.3	-168	3.9	0	0	115	V228	V228-Q230 PolarHBondContact O-N 3.38Å
231	T	58.5	Low	55.9	Low	67 Å²	67	96.3 Å²	96.3	41%	0.411	48%	0.476	S	S	.	.	S	Bend	trans	-69.7	150.2	-177	59.4	0	0	0	0	113.3	V228 G233 Y234 K235	V228-T231 HydrophobicContact CG1-CG2 3.48Å; V228-T231 VanDerWaalsContact CG1-CG2 3.48Å; V228-T231 PolarHBondContact O-N 2.76Å; V228-T231 PolarHBondContact O-OG1 3.08Å; T231-G233 PolarHBondContact O-N 3.36Å; T231-Y234 WeakPolarHBondContact O-CB 3.33Å; T231-Y234 PolarHBondContact O-N 3.45Å; T231-Y234 WeakPolarHBondContact OG1-CB 3.4Å; T231-Y234 PolarHBondContact OG1-N 2.74Å; T231-K235 PolarHBondContact O-N 3.14Å; T231-K235 VanDerWaalsContact O-N 3.13Å
232	K	58.2	Low	55.4	Low	178 Å²	178	88.6 Å²	88.6	77%	0.774	45%	0.449	S	S	*	.	H	α-helix	trans	-55.1	-35.5	172.2	-173.1	173.3	-179.3	177.9	0	111.7	K235 L236	K232-K235 PolarHBondContact O-N 3.46Å; K232-L236 WeakPolarHBondContact O-CG 3.37Å; K232-L236 PolarHBondContact O-N 2.9Å
233	G	55.6	Low	55	Low	38 Å²	38	87.4 Å²	87.4	39%	0.392	45%	0.451	S	S	.	.	H	α-helix	trans	-61.5	-43.7	171.8	0	0	0	0	0	113.4	T231 L236 I237	T231-G233 PolarHBondContact O-N 3.36Å; G233-L236 PolarHBondContact O-N 3.21Å; G233-I237 WeakPolarHBondContact O-CB 3.29Å; G233-I237 WeakPolarHBondContact O-CD1 3.49Å; G233-I237 VanDerWaalsContact O-CG1 3.23Å; G233-I237 WeakPolarHBondContact O-CG1 3.29Å; G233-I237 PolarHBondContact O-N 3.42Å
234	Y	53.6	Low	54.9	Low	21 Å²	21	94 Å²	94	8%	0.082	49%	0.487	C	S	.	.	H	α-helix	trans	-62.5	-44.7	176.1	-178.1	-88	0	0	0	112.6	L223 N224 I229 T231 L236 I237 K238	L223-Y234 WeakPolarHBondContact O-CE2 3.07Å; L223-Y234 PolarHBondContact O-OH 3.13Å; N224-Y234 PolarHBondContact OD1-OH 3.37Å; I229-Y234 HydrophobicContact CB-CE1 4.37Å; I229-Y234 HydrophobicContact CG2-CD1 4.12Å; I229-Y234 HydrophobicContact CG2-CE1 3.58Å; I229-Y234 HydrophobicContact CG2-CE2 4.49Å; I229-Y234 WeakPolarHBondContact O-CD1 3.41Å; I229-Y234 VanDerWaalsContact O-CG 3.28Å; T231-Y234 WeakPolarHBondContact O-CB 3.33Å; T231-Y234 PolarHBondContact O-N 3.45Å; T231-Y234 WeakPolarHBondContact OG1-CB 3.4Å; T231-Y234 PolarHBondContact OG1-N 2.74Å; Y234-L236 VanDerWaalsContact C-N 3.33Å; Y234-L236 PolarHBondContact O-N 3.49Å; Y234-I237 PolarHBondContact O-N 3.16Å; Y234-I237 VanDerWaalsContact O-N 3.15Å; Y234-K238 HydrophobicContact CE1-CB 4.35Å; Y234-K238 HydrophobicContact CE1-CD 4Å; Y234-K238 PolarHBondContact O-N 3.16Å
235	K	56.2	Low	54.3	Low	145 Å²	145	96.7 Å²	96.7	63%	0.63	50%	0.495	S	S	*	.	H	α-helix	trans	-57.8	-45.5	178.3	-70.6	-172.8	178.4	-177.4	0	111.7	T231 K232 K238 Q239	T231-K235 PolarHBondContact O-N 3.14Å; T231-K235 VanDerWaalsContact O-N 3.13Å; K232-K235 PolarHBondContact O-N 3.46Å; K235-K238 PolarHBondContact O-N 3.18Å; K235-Q239 WeakPolarHBondContact O-CB 3.38Å; K235-Q239 PolarHBondContact O-N 2.87Å
236	L	57.7	Low	53.4	Low	74 Å²	74	94.6 Å²	94.6	39%	0.387	49%	0.485	S	S	.	.	H	α-helix	trans	-60.5	-50	173.3	-66.8	168.6	0	0	0	111.1	K232 G233 Y234 K238 Q239 Y240	K232-L236 WeakPolarHBondContact O-CG 3.37Å; K232-L236 PolarHBondContact O-N 2.9Å; G233-L236 PolarHBondContact O-N 3.21Å; Y234-L236 VanDerWaalsContact C-N 3.33Å; Y234-L236 PolarHBondContact O-N 3.49Å; L236-K238 VanDerWaalsContact C-N 3.29Å; L236-K238 PolarHBondContact O-N 3.34Å; L236-Q239 PolarHBondContact O-N 3.31Å; L236-Y240 HydrophobicContact CB-CD2 4.22Å; L236-Y240 HydrophobicContact CB-CE2 4.1Å; L236-Y240 HydrophobicContact CD2-CE2 4.03Å; L236-Y240 WeakPolarHBondContact O-CD2 3.32Å; L236-Y240 PolarHBondContact O-N 2.7Å
237	I	54.2	Low	52.6	Low	65 Å²	65	101.4 Å²	101.4	33%	0.333	51%	0.509	S	S	.	.	H	α-helix	trans	-57.2	-40.5	179.4	-71.1	165.3	0	0	0	111.8	L223 G233 Y234 L241	L223-I237 HydrophobicContact CD2-CG2 4.11Å; G233-I237 WeakPolarHBondContact O-CB 3.29Å; G233-I237 WeakPolarHBondContact O-CD1 3.49Å; G233-I237 VanDerWaalsContact O-CG1 3.23Å; G233-I237 WeakPolarHBondContact O-CG1 3.29Å; G233-I237 PolarHBondContact O-N 3.42Å; Y234-I237 PolarHBondContact O-N 3.16Å; Y234-I237 VanDerWaalsContact O-N 3.15Å; I237-L241 HydrophobicContact CG2-CD1 3.54Å; I237-L241 HydrophobicContact CG2-CG 4.25Å; I237-L241 VanDerWaalsContact O-CB 3.27Å; I237-L241 WeakPolarHBondContact O-CB 3.38Å; I237-L241 VanDerWaalsContact O-CG 3.24Å; I237-L241 WeakPolarHBondContact O-CG 3.35Å; I237-L241 PolarHBondContact O-N 2.83Å
238	K	54.2	Low	51.8	Low	92 Å²	92	105.6 Å²	105.6	40%	0.4	53%	0.532	S	S	.	.	H	α-helix	trans	-67.7	-44.8	177.5	-171.7	168	-179.9	170.3	0	111.9	Y234 K235 L236 Y240 L241 C242	Y234-K238 HydrophobicContact CE1-CB 4.35Å; Y234-K238 HydrophobicContact CE1-CD 4Å; Y234-K238 PolarHBondContact O-N 3.16Å; K235-K238 PolarHBondContact O-N 3.18Å; L236-K238 VanDerWaalsContact C-N 3.29Å; L236-K238 PolarHBondContact O-N 3.34Å; K238-Y240 VanDerWaalsContact C-N 3.34Å; K238-Y240 PolarHBondContact O-N 2.89Å; K238-L241 PolarHBondContact O-N 2.9Å; K238-C242 PolarHBondContact O-N 3.12Å
239	Q	57.6	Low	51.7	Low	89 Å²	89	106.6 Å²	106.6	42%	0.416	53%	0.532	S	S	.	.	H	α-helix	trans	-61.4	-38	175.9	-178	168.7	19.5	0	0	112.5	K235 L236 P243 Q246	K235-Q239 WeakPolarHBondContact O-CB 3.38Å; K235-Q239 PolarHBondContact O-N 2.87Å; L236-Q239 PolarHBondContact O-N 3.31Å; Q239-P243 VanDerWaalsContact O-CA 3.26Å; Q239-P243 WeakPolarHBondContact O-CA 3.46Å; Q239-Q246 VanDerWaalsContact CG-OE1 3.28Å
240	Y	50.5	Low	51.8	Low	134 Å²	134	108.4 Å²	108.4	53%	0.525	54%	0.541	S	S	.	.	H	α-helix	trans	-83.9	-25.4	178.9	-68.9	-61.3	0	0	0	114.8	W200 L236 K238	W200-Y240 AromaticContact CH2-CD1 3.9Å; W200-Y240 HydrophobicContact CH2-CD1 3.9Å; W200-Y240 HydrophobicContact CH2-CE1 4.25Å; W200-Y240 HydrophobicContact CZ3-CD1 4.33Å; W200-Y240 HydrophobicContact CZ3-CE1 4.49Å; L236-Y240 HydrophobicContact CB-CD2 4.22Å; L236-Y240 HydrophobicContact CB-CE2 4.1Å; L236-Y240 HydrophobicContact CD2-CE2 4.03Å; L236-Y240 WeakPolarHBondContact O-CD2 3.32Å; L236-Y240 PolarHBondContact O-N 2.7Å; K238-Y240 VanDerWaalsContact C-N 3.34Å; K238-Y240 PolarHBondContact O-N 2.89Å
241	L	49.2	Very low	51.6	Low	46 Å²	46	104.2 Å²	104.2	24%	0.241	52%	0.523	C	S	.	.	H	α-helix	trans	-88.3	-24.5	178.5	-70.1	177.4	0	0	0	113.7	L223 I237 K238	L223-L241 HydrophobicContact CD1-CD1 3.68Å; L223-L241 HydrophobicContact CD2-CD1 4.25Å; I237-L241 HydrophobicContact CG2-CD1 3.54Å; I237-L241 HydrophobicContact CG2-CG 4.25Å; I237-L241 VanDerWaalsContact O-CB 3.27Å; I237-L241 WeakPolarHBondContact O-CB 3.38Å; I237-L241 VanDerWaalsContact O-CG 3.24Å; I237-L241 WeakPolarHBondContact O-CG 3.35Å; I237-L241 PolarHBondContact O-N 2.83Å; K238-L241 PolarHBondContact O-N 2.9Å
242	C	52.7	Low	51.2	Low	21 Å²	21	106.4 Å²	106.4	14%	0.142	53%	0.53	C	S	.	.	S	Bend	trans	-132.5	58.7	177	-63.1	0	0	0	0	111.2	C215 K238 N244 K245	C215-C242 VanDerWaalsContact SG-SG 3.65Å; K238-C242 PolarHBondContact O-N 3.12Å; C242-N244 PolarHBondContact O-N 2.86Å; C242-N244 VanDerWaalsContact O-N 3.09Å; C242-K245 PolarHBondContact O-N 2.84Å
243	P	49.6	Very low	50.7	Low	83 Å²	83	101.9 Å²	101.9	54%	0.539	51%	0.514	S	S	.	.	G	3₁₀ helix	trans	-59.3	-27.4	-171.6	23.6	-34.4	0	0	0	113.9	Q239 K245	Q239-P243 VanDerWaalsContact O-CA 3.26Å; Q239-P243 WeakPolarHBondContact O-CA 3.46Å; P243-K245 PolarHBondContact O-N 2.85Å
244	N	53	Low	50.4	Low	160 Å²	160	106.1 Å²	106.1	86%	0.856	52%	0.522	S	S	*	.	G	3₁₀ helix	trans	-92.9	19.6	-176.3	-62.1	1.5	0	0	0	114.1	C242	C242-N244 PolarHBondContact O-N 2.86Å; C242-N244 VanDerWaalsContact O-N 3.09Å
245	K	49.1	Very low	50.2	Low	134 Å²	134	112.2 Å²	112.2	58%	0.583	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-124.9	22.4	177.3	-83.5	-160.8	-179.4	179.4	0	114.6	E220 C242 P243	E220-K245 IonicContact OE1-NZ 3.08Å; E220-K245 PolarHBondContact OE1-NZ 2.93Å; E220-K245 VanDerWaalsContact OE1-NZ 3.08Å; E220-K245 IonicContact OE2-NZ 3.38Å; E220-K245 PolarHBondContact OE2-NZ 3.11Å; C242-K245 PolarHBondContact O-N 2.84Å; P243-K245 PolarHBondContact O-N 2.85Å
246	Q	44.4	Very low	49.7	Very low	107 Å²	107	109.7 Å²	109.7	50%	0.5	55%	0.548	S	S	.	.	S	Bend	trans	-110.4	16.8	175.6	-73.2	-167.3	-34.7	0	0	114.3	Q239	Q239-Q246 VanDerWaalsContact CG-OE1 3.28Å
247	K	37.2	Very low	49	Very low	204 Å²	204	112.7 Å²	112.7	89%	0.887	56%	0.561	S	S	*	*			trans	-148.9	66.8	173.6	-68.9	-166.4	177.4	-172.9	0	113
248	V	36.5	Very low	48.5	Very low	217 Å²	217	117 Å²	117	100%	1.315	58%	0.582	S	S	*	*			trans	-146.8	0	143.3	-174.4	0	0	0	0	105.5

Retrieved 248 of 248 residues in 156.7 ms (Link to these results)

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