A0A077Z8I8_TRITR Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A077Z8I8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 260 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	50.3	Low	35.5	Very low	246 Å²	246	136 Å²	136	100%	1.212	84%	0.835	S	S	*	*				0	97.6	0	-74.9	173.5	176.8	0	0	106.1
2	N	33.2	Very low	37.5	Very low	150 Å²	150	127.3 Å²	127.3	80%	0.802	79%	0.792	S	S	*	*			trans	-96.2	156.3	-164.2	-77.5	-8.7	0	0	0	112.2
3	S	32.5	Very low	40.3	Very low	98 Å²	98	129.2 Å²	129.2	69%	0.685	79%	0.786	S	S	*	*			trans	77.7	100.9	146.5	19.3	0	0	0	0	117.5
4	T	33.3	Very low	43.4	Very low	121 Å²	121	121.4 Å²	121.4	74%	0.742	74%	0.737	S	S	*	*				83.4	116.2	89.5	53	0	0	0	0	113.2
5	N	37	Very low	46.2	Very low	155 Å²	155	121.9 Å²	121.9	83%	0.829	73%	0.725	S	S	*	*				175.5	100.2	113.9	-84.9	-11.7	0	0	0	109.7
6	G	30.9	Very low	48.8	Very low	79 Å²	79	116.7 Å²	116.7	81%	0.814	70%	0.695	S	S	*	*			trans	-85.8	124.4	153	0	0	0	0	0	108
7	E	32.7	Very low	51.2	Low	190 Å²	190	112.6 Å²	112.6	89%	0.888	67%	0.669	S	S	*	*			trans	-135.4	115.1	156.4	-85	-171.7	163	0	0	108.3	S9	E7-S9 PolarHBondContact O-N 3.47Å
8	A	30.1	Very low	53.3	Low	92 Å²	92	113 Å²	113	76%	0.76	68%	0.678	S	S	*	*			trans	-64.1	123.8	173.4	0	0	0	0	0	109.6	T10	A8-T10 PolarHBondContact O-N 3.31Å
9	S	30	Very low	55.1	Low	125 Å²	125	113.3 Å²	113.3	87%	0.874	68%	0.676	S	S	*	*			trans	-75.3	91.9	167.8	38.7	0	0	0	0	108.7	E7	E7-S9 PolarHBondContact O-N 3.47Å
10	T	35.1	Very low	56.6	Low	123 Å²	123	108.2 Å²	108.2	76%	0.755	65%	0.648	S	S	*	*			trans	-60.2	136.2	169.6	39.5	0	0	0	0	110.1	A8 G12	A8-T10 PolarHBondContact O-N 3.31Å; T10-G12 PolarHBondContact O-N 2.83Å
11	S	45.3	Very low	58	Low	117 Å²	117	106.9 Å²	106.9	82%	0.818	64%	0.637	S	S	*	*			trans	-52.4	99	175.7	49.8	0	0	0	0	111.2	E13	S11-E13 PolarHBondContact O-N 3.05Å
12	G	60.1	Low	59.8	Low	32 Å²	32	95.9 Å²	95.9	33%	0.33	58%	0.583	S	S	.	*			trans	-73.4	84	-173.1	0	0	0	0	0	113.1	T10 R108	T10-G12 PolarHBondContact O-N 2.83Å; G12-R108 WeakPolarHBondContact O-CD 3.39Å; G12-R108 PolarHBondContact O-NH1 3.05Å
13	E	73.9	Confident	62.1	Low	152 Å²	152	94.1 Å²	94.1	71%	0.71	57%	0.573	S	S	*	*			trans	-53.3	139.6	168.9	-159.8	173	-167	0	0	111	S11 K15	S11-E13 PolarHBondContact O-N 3.05Å; E13-K15 PolarHBondContact O-N 3Å
14	I	83.4	Confident	64.6	Low	20 Å²	20	92.6 Å²	92.6	10%	0.103	56%	0.555	C	S	.	*			trans	-76.6	113.6	178.7	-61	168.7	0	0	0	107	V16 V22 L34 F47 I62 F107	I14-V16 HydrophobicContact CG2-CG2 4.15Å; I14-V22 HydrophobicContact CG2-CG1 3.84Å; I14-V22 HydrophobicContact CG2-CG2 4.3Å; I14-L34 HydrophobicContact CD1-CD1 3.98Å; I14-L34 HydrophobicContact CG2-CD1 4.3Å; I14-F47 HydrophobicContact CB-CZ 4.34Å; I14-F47 HydrophobicContact CD1-CE1 4.49Å; I14-F47 HydrophobicContact CD1-CE2 3.93Å; I14-F47 HydrophobicContact CD1-CZ 3.81Å; I14-F47 HydrophobicContact CG2-CE1 3.98Å; I14-F47 HydrophobicContact CG2-CZ 4.16Å; I14-I62 HydrophobicContact CD1-CD1 3.56Å; I14-F107 HydrophobicContact CD1-CE1 4.07Å; I14-F107 HydrophobicContact CG1-CE1 4.4Å
15	K	85.9	Confident	67.2	Low	128 Å²	128	92.3 Å²	92.3	56%	0.557	55%	0.549	S	S	*	.			trans	-76.1	127.2	179.1	-66.8	-179.3	-177.7	172.2	0	110.7	E13 L23	E13-K15 PolarHBondContact O-N 3Å; K15-L23 HydrophobicContact CB-CB 4.24Å; K15-L23 HydrophobicContact CB-CD1 4.3Å; K15-L23 PolarHBondContact O-N 3.26Å
16	V	87.1	Confident	69.8	Low	39 Å²	39	85.1 Å²	85.1	24%	0.236	51%	0.511	C	S	.	.	B	Isolated β-bridge	trans	-130.7	136.3	-178.4	-171.7	0	0	0	0	108.8	I14 G20 I21 V22 R37 F47	I14-V16 HydrophobicContact CG2-CG2 4.15Å; V16-G20 WeakPolarHBondContact CG1-O 3.36Å; V16-I21 CarbonylContact C-O 3.58Å; V16-I21 VanDerWaalsContact CA-O 3.3Å; V16-I21 WeakPolarHBondContact CA-O 3.29Å; V16-I21 WeakPolarHBondContact CG1-O 3.49Å; V16-V22 HydrophobicContact CG2-CG2 4.45Å; V16-R37 HydrophobicContact CG1-CB 4.27Å; V16-F47 HydrophobicContact CG2-CE1 4.06Å
17	N	89.6	Confident	72.7	Confident	47 Å²	47	84.6 Å²	84.6	25%	0.251	49%	0.489	S	S	.	.			trans	-77.1	179.6	174.8	77.8	-6	0	0	0	112.1	D19 G20 I21 L23	N17-D19 PolarHBondContact ND2-OD2 3.03Å; N17-D19 PolarHBondContact O-N 2.68Å; N17-D19 WeakPolarHBondContact OD1-CA 3.43Å; N17-D19 WeakPolarHBondContact OD1-CB 3.49Å; N17-D19 PolarHBondContact OD1-N 2.75Å; N17-G20 PolarHBondContact O-N 3.42Å; N17-G20 PolarHBondContact OD1-N 2.72Å; N17-G20 VanDerWaalsContact OD1-N 3.14Å; N17-I21 PolarHBondContact N-O 2.91Å; N17-I21 WeakPolarHBondContact OD1-CB 3.31Å; N17-I21 PolarHBondContact OD1-N 2.89Å; N17-L23 HydrophobicContact CB-CD1 4.44Å; N17-L23 HydrophobicContact CB-CD2 4.02Å; N17-L23 HydrophobicContact CB-CG 4.36Å
18	S	88.3	Confident	75.5	Confident	120 Å²	120	75.5 Å²	75.5	84%	0.839	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-28.5	176.6	49.4	0	0	0	0	113.9	G20	S18-G20 VanDerWaalsContact C-N 3.28Å; S18-G20 PolarHBondContact O-N 3.4Å
19	D	87.6	Confident	78.2	Confident	118 Å²	118	72.2 Å²	72.2	63%	0.631	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	3.6	-178.7	-48.8	-41.8	0	0	0	112.7	N17 I21	N17-D19 PolarHBondContact ND2-OD2 3.03Å; N17-D19 PolarHBondContact O-N 2.68Å; N17-D19 WeakPolarHBondContact OD1-CA 3.43Å; N17-D19 WeakPolarHBondContact OD1-CB 3.49Å; N17-D19 PolarHBondContact OD1-N 2.75Å; D19-I21 VanDerWaalsContact C-N 3.3Å; D19-I21 HydrophobicContact CB-CD1 4.31Å; D19-I21 HydrophobicContact CB-CG1 4.23Å; D19-I21 PolarHBondContact O-N 3.34Å
20	G	85.7	Confident	80.9	Confident	11 Å²	11	77.9 Å²	77.9	11%	0.113	42%	0.424	C	S	.	.	S	Bend	trans	82	2.7	-177	0	0	0	0	0	114	V16 N17 S18 R36 R37	V16-G20 WeakPolarHBondContact CG1-O 3.36Å; N17-G20 PolarHBondContact O-N 3.42Å; N17-G20 PolarHBondContact OD1-N 2.72Å; N17-G20 VanDerWaalsContact OD1-N 3.14Å; S18-G20 VanDerWaalsContact C-N 3.28Å; S18-G20 PolarHBondContact O-N 3.4Å; G20-R36 CarbonylContact O-C 3.44Å; G20-R36 WeakPolarHBondContact O-CA 3.5Å; G20-R36 VanDerWaalsContact O-CB 3.24Å; G20-R36 WeakPolarHBondContact O-CB 3.49Å; G20-R37 PolarHBondContact O-N 3.42Å
21	I	86.5	Confident	83.6	Confident	82 Å²	82	74.4 Å²	74.4	42%	0.421	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-75.1	130.7	-178.2	-57.8	175	0	0	0	110.2	V16 N17 D19 L23	V16-I21 CarbonylContact C-O 3.58Å; V16-I21 VanDerWaalsContact CA-O 3.3Å; V16-I21 WeakPolarHBondContact CA-O 3.29Å; V16-I21 WeakPolarHBondContact CG1-O 3.49Å; N17-I21 PolarHBondContact N-O 2.91Å; N17-I21 WeakPolarHBondContact OD1-CB 3.31Å; N17-I21 PolarHBondContact OD1-N 2.89Å; D19-I21 VanDerWaalsContact C-N 3.3Å; D19-I21 HydrophobicContact CB-CD1 4.31Å; D19-I21 HydrophobicContact CB-CG1 4.23Å; D19-I21 PolarHBondContact O-N 3.34Å; I21-L23 PolarHBondContact O-N 2.94Å
22	V	87.8	Confident	85.8	Confident	14 Å²	14	68.9 Å²	68.9	9%	0.085	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-72.7	123.1	175.6	-177.2	0	0	0	0	109	I14 V16 E24 V26 L34 I35 F47	I14-V22 HydrophobicContact CG2-CG1 3.84Å; I14-V22 HydrophobicContact CG2-CG2 4.3Å; V16-V22 HydrophobicContact CG2-CG2 4.45Å; V22-E24 VanDerWaalsContact C-N 3.3Å; V22-E24 WeakPolarHBondContact CG1-O 3.38Å; V22-E24 PolarHBondContact O-N 3.35Å; V22-V26 HydrophobicContact CG1-CB 4.35Å; V22-V26 HydrophobicContact CG1-CG2 3.86Å; V22-L34 HydrophobicContact CB-CB 4.38Å; V22-L34 HydrophobicContact CG1-CB 4.34Å; V22-L34 HydrophobicContact CG2-CB 3.97Å; V22-I35 PolarHBondContact N-O 3.15Å; V22-I35 VanDerWaalsContact N-O 3.1Å; V22-F47 HydrophobicContact CG2-CD1 3.94Å; V22-F47 HydrophobicContact CG2-CE1 4.18Å
23	L	81.6	Confident	87.5	Confident	113 Å²	113	71.8 Å²	71.8	59%	0.592	36%	0.359	S	S	*	.	S	Bend	trans	-81.3	-9.1	-172.8	-67.8	177.7	0	0	0	113.9	K15 N17 I21	K15-L23 HydrophobicContact CB-CB 4.24Å; K15-L23 HydrophobicContact CB-CD1 4.3Å; K15-L23 PolarHBondContact O-N 3.26Å; N17-L23 HydrophobicContact CB-CD1 4.44Å; N17-L23 HydrophobicContact CB-CD2 4.02Å; N17-L23 HydrophobicContact CB-CG 4.36Å; I21-L23 PolarHBondContact O-N 2.94Å
24	E	85.8	Confident	88.5	Confident	66 Å²	66	65 Å²	65	31%	0.308	33%	0.327	S	S	.	.	S	Bend	trans	-118.5	150	-178.2	-69.1	172.7	-165.3	0	0	110.1	V22 V26 R108	V22-E24 VanDerWaalsContact C-N 3.3Å; V22-E24 WeakPolarHBondContact CG1-O 3.38Å; V22-E24 PolarHBondContact O-N 3.35Å; E24-V26 HydrophobicContact CB-CG2 3.65Å; E24-V26 PolarHBondContact O-N 2.73Å; E24-R108 IonicContact OE2-CZ 2.75Å; E24-R108 IonicContact OE2-NH1 2.68Å; E24-R108 PolarHBondContact OE2-NH1 3.36Å; E24-R108 IonicContact OE2-NH2 2.71Å; E24-R108 PolarHBondContact OE2-NH2 2.73Å
25	D	86.1	Confident	89	Confident	116 Å²	116	67.1 Å²	67.1	62%	0.62	34%	0.338	S	S	*	.			trans	-74.6	76.6	170.4	-168.2	11.9	0	0	0	110.2	R33	D25-R33 WeakPolarHBondContact OD1-CD 3.35Å; D25-R33 WeakPolarHBondContact OD1-CG 3.45Å; D25-R33 IonicContact OD1-NE 3.82Å; D25-R33 PolarHBondContact OD1-NE 3Å
26	V	91.9	Very high	89.5	Confident	4 Å²	4	66.2 Å²	66.2	2%	0.024	33%	0.331	C	S	.	.			trans	-87.6	120.4	-174.8	-179.3	0	0	0	0	110.6	V22 E24 V28 R33 L34 F107	V22-V26 HydrophobicContact CG1-CB 4.35Å; V22-V26 HydrophobicContact CG1-CG2 3.86Å; E24-V26 HydrophobicContact CB-CG2 3.65Å; E24-V26 PolarHBondContact O-N 2.73Å; V26-V28 HydrophobicContact CG1-CG2 4.48Å; V26-R33 CarbonylContact O-C 3.53Å; V26-R33 WeakPolarHBondContact O-CA 3.34Å; V26-L34 HydrophobicContact CB-CB 4.22Å; V26-L34 HydrophobicContact CB-CD1 3.86Å; V26-L34 HydrophobicContact CB-CG 4.01Å; V26-L34 HydrophobicContact CG1-CD1 3.58Å; V26-L34 HydrophobicContact CG1-CG 3.93Å; V26-L34 PolarHBondContact O-N 3.02Å; V26-F107 HydrophobicContact CG1-CE1 4.02Å; V26-F107 HydrophobicContact CG1-CE2 3.97Å; V26-F107 HydrophobicContact CG1-CZ 3.26Å
27	I	92.5	Very high	89.8	Confident	67 Å²	67	69.1 Å²	69.1	34%	0.344	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	119.7	177.3	-56.7	173.2	0	0	0	110.7	N32 M52 F107	I27-N32 CarbonylContact C-O 3.5Å; I27-N32 WeakPolarHBondContact CA-O 3.35Å; I27-M52 HydrophobicContact CD1-CE 4.05Å; I27-M52 HydrophobicContact CD1-SD 4.33Å; I27-M52 HydrophobicContact CG1-CE 4.41Å; I27-M52 HydrophobicContact CG2-CE 3.77Å; I27-F107 WeakPolarHBondContact O-CE2 3.5Å
28	V	90.4	Very high	90	Very high	0 Å²	0	70 Å²	70	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	133.4	176.3	-177.1	0	0	0	0	110.2	V26 R30 R31 N32 L34 I60 W103 F107 A112	V26-V28 HydrophobicContact CG1-CG2 4.48Å; V28-R30 PolarHBondContact O-N 3.11Å; V28-R31 PolarHBondContact O-N 3Å; V28-N32 PolarHBondContact N-O 3.1Å; V28-N32 PolarHBondContact O-N 3.29Å; V28-N32 PolarHBondContact O-ND2 3.42Å; V28-L34 HydrophobicContact CG2-CD1 4.37Å; V28-L34 HydrophobicContact CG2-CD2 3.9Å; V28-L34 HydrophobicContact CG2-CG 4.12Å; V28-I60 HydrophobicContact CB-CD1 3.88Å; V28-I60 HydrophobicContact CG1-CD1 4.26Å; V28-I60 HydrophobicContact CG1-CG2 4.22Å; V28-I60 HydrophobicContact CG2-CD1 4.17Å; V28-W103 HydrophobicContact CG1-CE3 3.87Å; V28-W103 HydrophobicContact CG1-CH2 4.09Å; V28-W103 HydrophobicContact CG1-CZ3 3.38Å; V28-F107 HydrophobicContact CB-CD2 4.36Å; V28-F107 HydrophobicContact CG1-CB 4.31Å; V28-F107 HydrophobicContact CG1-CD2 4.36Å; V28-F107 HydrophobicContact CG1-CG 4.27Å; V28-F107 HydrophobicContact CG2-CD1 4.19Å; V28-F107 HydrophobicContact CG2-CD2 3.97Å; V28-F107 HydrophobicContact CG2-CE1 4.25Å; V28-F107 HydrophobicContact CG2-CE2 4.03Å; V28-F107 HydrophobicContact CG2-CG 4.07Å; V28-F107 HydrophobicContact CG2-CZ 4.19Å; V28-A112 HydrophobicContact CG1-CB 4.12Å
29	G	87.8	Confident	90	Very high	23 Å²	23	65.6 Å²	65.6	24%	0.237	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.9	26.1	178.8	0	0	0	0	0	114.3	R31	G29-R31 PolarHBondContact O-N 3.34Å
30	R	87.5	Confident	89.8	Confident	244 Å²	244	64.1 Å²	64.1	92%	0.921	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	11.7	-176.5	-56	-178.5	-179.8	177.2	-0.5	115.4	V28	V28-R30 PolarHBondContact O-N 3.11Å
31	R	90.2	Very high	89.2	Confident	49 Å²	49	65.8 Å²	65.8	19%	0.185	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.7	-29.7	-168.9	179.7	172.2	172.6	163.6	4.3	114	V28 G29 D51 M52 E53	V28-R31 PolarHBondContact O-N 3Å; G29-R31 PolarHBondContact O-N 3.34Å; R31-D51 WeakPolarHBondContact CG-OD1 3.46Å; R31-D51 IonicContact CZ-OD1 2.76Å; R31-D51 IonicContact CZ-OD2 3.6Å; R31-D51 IonicContact NE-OD1 3.74Å; R31-D51 PolarHBondContact NE-OD1 3.4Å; R31-D51 IonicContact NE-OD2 2.82Å; R31-D51 PolarHBondContact NE-OD2 3.15Å; R31-D51 IonicContact NH2-OD1 2.88Å; R31-D51 IonicContact NH2-OD2 3.57Å; R31-D51 PolarHBondContact NH2-OD2 3.04Å; R31-M52 WeakPolarHBondContact O-CB 3.3Å; R31-M52 WeakPolarHBondContact O-CE 3.28Å; R31-M52 WeakPolarHBondContact O-CG 3.32Å; R31-M52 PolarHBondContact O-N 3.01Å; R31-E53 IonicContact CZ-OE2 3.17Å; R31-E53 IonicContact NE-OE2 2.69Å; R31-E53 PolarHBondContact NE-OE2 3.21Å; R31-E53 IonicContact NH1-OE2 3.61Å; R31-E53 PolarHBondContact NH1-OE2 3.11Å; R31-E53 IonicContact NH2-OE2 2.78Å; R31-E53 PolarHBondContact NH2-OE2 2.93Å
32	N	92.3	Very high	88.4	Confident	1 Å²	1	66.5 Å²	66.5	1%	0.005	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	114	-170.3	-48.4	-84.4	0	0	0	109.8	I27 V28 A49 I50 I60	I27-N32 CarbonylContact C-O 3.5Å; I27-N32 WeakPolarHBondContact CA-O 3.35Å; V28-N32 PolarHBondContact N-O 3.1Å; V28-N32 PolarHBondContact O-N 3.29Å; V28-N32 PolarHBondContact O-ND2 3.42Å; N32-A49 HydrophobicContact CB-CB 4.31Å; N32-I50 WeakPolarHBondContact CA-O 3.27Å; N32-I60 HydrophobicContact CB-CD1 3.58Å
33	R	94.8	Very high	87.6	Confident	93 Å²	93	67.9 Å²	67.9	35%	0.351	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	123.2	179.1	-174.2	-174.3	-50	175.3	5.7	109.9	D25 V26 A49 I50 M52	D25-R33 WeakPolarHBondContact OD1-CD 3.35Å; D25-R33 WeakPolarHBondContact OD1-CG 3.45Å; D25-R33 IonicContact OD1-NE 3.82Å; D25-R33 PolarHBondContact OD1-NE 3Å; V26-R33 CarbonylContact O-C 3.53Å; V26-R33 WeakPolarHBondContact O-CA 3.34Å; R33-A49 CarbonylContact O-C 3.59Å; R33-A49 WeakPolarHBondContact O-CA 3.22Å; R33-A49 WeakPolarHBondContact O-CB 3.38Å; R33-I50 HydrophobicContact CB-CG2 3.93Å; R33-I50 PolarHBondContact N-O 2.74Å; R33-I50 PolarHBondContact O-N 3.44Å; R33-M52 HydrophobicContact CB-CG 4.36Å; R33-M52 HydrophobicContact CB-SD 4.37Å; R33-M52 PolarHBondContact NH2-SD 3.05Å
34	L	95.1	Very high	87.7	Confident	9 Å²	9	62.6 Å²	62.6	5%	0.047	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	144.1	177.4	-58.3	-171.1	0	0	0	110.7	I14 V22 V26 V28 F47 A49 I60	I14-L34 HydrophobicContact CD1-CD1 3.98Å; I14-L34 HydrophobicContact CG2-CD1 4.3Å; V22-L34 HydrophobicContact CB-CB 4.38Å; V22-L34 HydrophobicContact CG1-CB 4.34Å; V22-L34 HydrophobicContact CG2-CB 3.97Å; V26-L34 HydrophobicContact CB-CB 4.22Å; V26-L34 HydrophobicContact CB-CD1 3.86Å; V26-L34 HydrophobicContact CB-CG 4.01Å; V26-L34 HydrophobicContact CG1-CD1 3.58Å; V26-L34 HydrophobicContact CG1-CG 3.93Å; V26-L34 PolarHBondContact O-N 3.02Å; V28-L34 HydrophobicContact CG2-CD1 4.37Å; V28-L34 HydrophobicContact CG2-CD2 3.9Å; V28-L34 HydrophobicContact CG2-CG 4.12Å; L34-F47 HydrophobicContact CD1-CD1 4.3Å; L34-F47 HydrophobicContact CD1-CG 4.27Å; L34-F47 HydrophobicContact CD2-CB 3.88Å; L34-F47 HydrophobicContact CD2-CG 4.36Å; L34-A49 HydrophobicContact CD2-CB 3.98Å; L34-I60 HydrophobicContact CD2-CB 4.39Å; L34-I60 HydrophobicContact CD2-CD1 3.74Å; L34-I60 HydrophobicContact CD2-CG1 4.39Å
35	I	95.5	Very high	87.9	Confident	66 Å²	66	61 Å²	61	34%	0.338	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	-60.3	178.6	-59	177.8	0	0	0	109.3	V22 E48 I50	V22-I35 PolarHBondContact N-O 3.15Å; V22-I35 VanDerWaalsContact N-O 3.1Å; I35-E48 HydrophobicContact CD1-CG 4.32Å; I35-E48 PolarHBondContact N-O 3.27Å; I35-I50 HydrophobicContact CD1-CB 4.09Å; I35-I50 HydrophobicContact CD1-CG2 4.3Å; I35-I50 HydrophobicContact CG1-CG2 4.48Å
36	R	95.3	Very high	88.2	Confident	108 Å²	108	57.2 Å²	57.2	41%	0.408	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	153.5	-176.9	64.2	179.7	-178.2	102.1	8.4	111.3	G20 I38 F47 E48	G20-R36 CarbonylContact O-C 3.44Å; G20-R36 WeakPolarHBondContact O-CA 3.5Å; G20-R36 VanDerWaalsContact O-CB 3.24Å; G20-R36 WeakPolarHBondContact O-CB 3.49Å; R36-I38 HydrophobicContact CG-CG2 4.06Å; R36-F47 CarbonylContact O-C 3.47Å; R36-F47 VanDerWaalsContact O-CA 3.3Å; R36-F47 WeakPolarHBondContact O-CA 3.18Å; R36-E48 HydrophobicContact CG-CB 4.11Å; R36-E48 IonicContact CZ-OE2 3.83Å; R36-E48 PolarHBondContact N-O 2.96Å; R36-E48 IonicContact NE-OE2 3.95Å; R36-E48 PolarHBondContact NE-OE2 3.06Å; R36-E48 IonicContact NH2-OE2 3.95Å; R36-E48 PolarHBondContact NH2-OE2 3.19Å; R36-E48 PolarHBondContact O-N 2.68Å
37	R	94.1	Very high	88.4	Confident	100 Å²	100	57.2 Å²	57.2	38%	0.377	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	131.5	166.6	-170	170.5	62.9	172.6	-1.9	109.3	V16 G20 G39 D45 F47	V16-R37 HydrophobicContact CG1-CB 4.27Å; G20-R37 PolarHBondContact O-N 3.42Å; R37-G39 WeakPolarHBondContact CG-O 3.41Å; R37-D45 WeakPolarHBondContact CD-OD1 3.31Å; R37-D45 IonicContact NH1-OD1 3.28Å; R37-D45 PolarHBondContact NH1-OD1 3.44Å; R37-F47 HydrophobicContact CB-CD1 3.87Å; R37-F47 HydrophobicContact CB-CE1 3.8Å; R37-F47 HydrophobicContact CG-CD1 4.33Å; R37-F47 HydrophobicContact CG-CE1 4.12Å
38	I	93	Very high	88.5	Confident	65 Å²	65	55 Å²	55	33%	0.333	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	-14.1	-179.6	62	175	0	0	0	113.1	R36 V46 E48 A59 L117	R36-I38 HydrophobicContact CG-CG2 4.06Å; I38-V46 HydrophobicContact CD1-CG1 3.88Å; I38-V46 HydrophobicContact CG1-CB 4.1Å; I38-V46 HydrophobicContact CG1-CG1 3.76Å; I38-V46 WeakPolarHBondContact CG1-O 3.37Å; I38-V46 PolarHBondContact N-O 3.48Å; I38-E48 HydrophobicContact CD1-CB 4.44Å; I38-E48 HydrophobicContact CG2-CB 3.63Å; I38-A59 HydrophobicContact CD1-CB 4.33Å; I38-L117 HydrophobicContact CD1-CD1 3.63Å
39	G	87.9	Confident	88.7	Confident	29 Å²	29	55 Å²	55	30%	0.299	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.8	158.7	175.2	0	0	0	0	0	111.3	R37 V46	R37-G39 WeakPolarHBondContact CG-O 3.41Å; G39-V46 PolarHBondContact N-O 3.21Å; G39-V46 VanDerWaalsContact N-O 3.11Å; G39-V46 PolarHBondContact O-N 3.05Å
40	S	85	Confident	88.9	Confident	86 Å²	86	55.2 Å²	55.2	60%	0.601	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-141.8	129.5	172.5	55.4	0	0	0	0	107.5	D45	S40-D45 WeakPolarHBondContact CB-OD1 2.96Å
41	G	71.8	Confident	89.1	Confident	47 Å²	47	43.6 Å²	43.6	49%	0.485	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	-178.8	177.8	0	0	0	0	0	111.4	F43 G44	G41-F43 PolarHBondContact O-N 3.33Å; G41-F43 VanDerWaalsContact O-N 3.1Å; G41-G44 PolarHBondContact N-O 3.41Å; G41-G44 PolarHBondContact O-N 3.3Å
42	S	69.2	Low	89.1	Confident	96 Å²	96	43.9 Å²	43.9	67%	0.671	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.9	174.5	42.1	0	0	0	0	113.7
43	F	71.1	Confident	88.9	Confident	43 Å²	43	50.5 Å²	50.5	19%	0.189	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	-5.5	-167.9	-46.4	-54.8	0	0	0	113.5	G41 E73 L185	G41-F43 PolarHBondContact O-N 3.33Å; G41-F43 VanDerWaalsContact O-N 3.1Å; F43-E73 HydrophobicContact CD1-CG 4.45Å; F43-E73 WeakPolarHBondContact CD1-OE1 3.28Å; F43-E73 WeakPolarHBondContact CD1-OE2 3.36Å; F43-E73 WeakPolarHBondContact CD2-OE1 2.92Å; F43-E73 VanDerWaalsContact CE1-CD 3.42Å; F43-E73 VanDerWaalsContact CE1-OE1 3.27Å; F43-E73 WeakPolarHBondContact CE1-OE1 2.91Å; F43-E73 WeakPolarHBondContact CE1-OE2 3.45Å; F43-E73 VanDerWaalsContact CE2-OE1 3.25Å; F43-E73 WeakPolarHBondContact CE2-OE1 3.27Å; F43-E73 VanDerWaalsContact CG-CD 3.45Å; F43-E73 WeakPolarHBondContact CG-OE1 3.34Å; F43-E73 WeakPolarHBondContact CZ-OE1 3.08Å; F43-L185 HydrophobicContact CZ-CD1 4.25Å; F43-L185 HydrophobicContact CZ-CD2 4.24Å; F43-L185 HydrophobicContact CZ-CG 4.22Å
44	G	83.7	Confident	88.5	Confident	2 Å²	2	48 Å²	48	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	156.3	168.3	-173.3	0	0	0	0	0	114.2	G41 I62 C64	G41-G44 PolarHBondContact N-O 3.41Å; G41-G44 PolarHBondContact O-N 3.3Å; G44-I62 CarbonylContact C-O 3.5Å; G44-I62 WeakPolarHBondContact CA-O 2.92Å; G44-C64 WeakPolarHBondContact CA-SG 3.42Å; G44-C64 PolarHBondContact N-SG 3.12Å
45	D	90.7	Very high	88.2	Confident	34 Å²	34	55.8 Å²	55.8	18%	0.182	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	143.7	167.5	-69.1	-65.7	0	0	0	109.7	R37 S40 F47 K61 I62	R37-D45 WeakPolarHBondContact CD-OD1 3.31Å; R37-D45 IonicContact NH1-OD1 3.28Å; R37-D45 PolarHBondContact NH1-OD1 3.44Å; S40-D45 WeakPolarHBondContact CB-OD1 2.96Å; D45-F47 HydrophobicContact CB-CD2 4.24Å; D45-F47 HydrophobicContact CB-CE2 3.38Å; D45-F47 HydrophobicContact CB-CZ 3.7Å; D45-K61 CarbonylContact O-C 3.55Å; D45-K61 WeakPolarHBondContact O-CA 3.35Å; D45-I62 PolarHBondContact N-O 3.26Å; D45-I62 PolarHBondContact O-N 3.21Å
46	V	93.1	Very high	87.9	Confident	36 Å²	36	58.6 Å²	58.6	22%	0.218	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	128.5	174	-171	0	0	0	0	108.5	I38 G39 A59 I60 K61	I38-V46 HydrophobicContact CD1-CG1 3.88Å; I38-V46 HydrophobicContact CG1-CB 4.1Å; I38-V46 HydrophobicContact CG1-CG1 3.76Å; I38-V46 WeakPolarHBondContact CG1-O 3.37Å; I38-V46 PolarHBondContact N-O 3.48Å; G39-V46 PolarHBondContact N-O 3.21Å; G39-V46 VanDerWaalsContact N-O 3.11Å; G39-V46 PolarHBondContact O-N 3.05Å; V46-A59 HydrophobicContact CG1-CB 4.19Å; V46-I60 CarbonylContact C-O 3.55Å; V46-I60 WeakPolarHBondContact CA-O 3.19Å; V46-K61 HydrophobicContact CG2-CB 4.32Å; V46-K61 HydrophobicContact CG2-CG 4.11Å
47	F	94.5	Very high	87.8	Confident	3 Å²	3	57 Å²	57	1%	0.013	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	142.8	-179.4	-60.2	-94.1	0	0	0	111	I14 V16 V22 L34 R36 R37 D45 A59 I60 I62	I14-F47 HydrophobicContact CB-CZ 4.34Å; I14-F47 HydrophobicContact CD1-CE1 4.49Å; I14-F47 HydrophobicContact CD1-CE2 3.93Å; I14-F47 HydrophobicContact CD1-CZ 3.81Å; I14-F47 HydrophobicContact CG2-CE1 3.98Å; I14-F47 HydrophobicContact CG2-CZ 4.16Å; V16-F47 HydrophobicContact CG2-CE1 4.06Å; V22-F47 HydrophobicContact CG2-CD1 3.94Å; V22-F47 HydrophobicContact CG2-CE1 4.18Å; L34-F47 HydrophobicContact CD1-CD1 4.3Å; L34-F47 HydrophobicContact CD1-CG 4.27Å; L34-F47 HydrophobicContact CD2-CB 3.88Å; L34-F47 HydrophobicContact CD2-CG 4.36Å; R36-F47 CarbonylContact O-C 3.47Å; R36-F47 VanDerWaalsContact O-CA 3.3Å; R36-F47 WeakPolarHBondContact O-CA 3.18Å; R37-F47 HydrophobicContact CB-CD1 3.87Å; R37-F47 HydrophobicContact CB-CE1 3.8Å; R37-F47 HydrophobicContact CG-CD1 4.33Å; R37-F47 HydrophobicContact CG-CE1 4.12Å; D45-F47 HydrophobicContact CB-CD2 4.24Å; D45-F47 HydrophobicContact CB-CE2 3.38Å; D45-F47 HydrophobicContact CB-CZ 3.7Å; F47-A59 CarbonylContact O-C 3.51Å; F47-A59 VanDerWaalsContact O-CA 3.29Å; F47-A59 WeakPolarHBondContact O-CA 3.27Å; F47-I60 PolarHBondContact N-O 2.81Å; F47-I60 PolarHBondContact O-N 3.1Å; F47-I62 HydrophobicContact CD2-CD1 3.83Å; F47-I62 HydrophobicContact CD2-CG1 4.12Å; F47-I62 HydrophobicContact CE2-CB 4.4Å; F47-I62 HydrophobicContact CE2-CD1 3.81Å; F47-I62 HydrophobicContact CE2-CG1 4.18Å
48	E	95	Very high	87.7	Confident	20 Å²	20	52.3 Å²	52.3	9%	0.093	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	136.5	159.7	179.4	174	-167.3	0	0	109.1	I35 R36 I38 N57 V58 L117	I35-E48 HydrophobicContact CD1-CG 4.32Å; I35-E48 PolarHBondContact N-O 3.27Å; R36-E48 HydrophobicContact CG-CB 4.11Å; R36-E48 IonicContact CZ-OE2 3.83Å; R36-E48 PolarHBondContact N-O 2.96Å; R36-E48 IonicContact NE-OE2 3.95Å; R36-E48 PolarHBondContact NE-OE2 3.06Å; R36-E48 IonicContact NH2-OE2 3.95Å; R36-E48 PolarHBondContact NH2-OE2 3.19Å; R36-E48 PolarHBondContact O-N 2.68Å; I38-E48 HydrophobicContact CD1-CB 4.44Å; I38-E48 HydrophobicContact CG2-CB 3.63Å; E48-N57 PolarHBondContact OE1-ND2 3.26Å; E48-V58 CarbonylContact C-O 3.46Å; E48-V58 WeakPolarHBondContact CA-O 3.17Å; E48-L117 HydrophobicContact CG-CD1 4.49Å; E48-L117 HydrophobicContact CG-CD2 4.03Å
49	A	94.3	Very high	87.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	154.8	178.9	0	0	0	0	0	110.9	N32 R33 L34 N57 V58 I60	N32-A49 HydrophobicContact CB-CB 4.31Å; R33-A49 CarbonylContact O-C 3.59Å; R33-A49 WeakPolarHBondContact O-CA 3.22Å; R33-A49 WeakPolarHBondContact O-CB 3.38Å; L34-A49 HydrophobicContact CD2-CB 3.98Å; A49-N57 CarbonylContact O-C 3.55Å; A49-N57 VanDerWaalsContact O-CA 3.24Å; A49-N57 WeakPolarHBondContact O-CA 3.37Å; A49-V58 HydrophobicContact CB-CG2 4.17Å; A49-V58 PolarHBondContact N-O 2.7Å; A49-V58 WeakPolarHBondContact O-CG2 3.48Å; A49-V58 PolarHBondContact O-N 2.74Å; A49-I60 HydrophobicContact CB-CD1 3.51Å; A49-I60 HydrophobicContact CB-CG1 3.81Å
50	I	93	Very high	87.9	Confident	28 Å²	28	48.1 Å²	48.1	14%	0.144	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	126.2	169.7	-174.3	165	0	0	0	109.7	N32 R33 I35 M52	N32-I50 WeakPolarHBondContact CA-O 3.27Å; R33-I50 HydrophobicContact CB-CG2 3.93Å; R33-I50 PolarHBondContact N-O 2.74Å; R33-I50 PolarHBondContact O-N 3.44Å; I35-I50 HydrophobicContact CD1-CB 4.09Å; I35-I50 HydrophobicContact CD1-CG2 4.3Å; I35-I50 HydrophobicContact CG1-CG2 4.48Å; I50-M52 PolarHBondContact O-N 3.4Å
51	D	91.6	Very high	88.3	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	116.6	165.1	167.9	8	0	0	0	108.9	R31 E53 S54 R55 R56 R102	R31-D51 WeakPolarHBondContact CG-OD1 3.46Å; R31-D51 IonicContact CZ-OD1 2.76Å; R31-D51 IonicContact CZ-OD2 3.6Å; R31-D51 IonicContact NE-OD1 3.74Å; R31-D51 PolarHBondContact NE-OD1 3.4Å; R31-D51 IonicContact NE-OD2 2.82Å; R31-D51 PolarHBondContact NE-OD2 3.15Å; R31-D51 IonicContact NH2-OD1 2.88Å; R31-D51 IonicContact NH2-OD2 3.57Å; R31-D51 PolarHBondContact NH2-OD2 3.04Å; D51-E53 PolarHBondContact O-N 3.4Å; D51-E53 WeakPolarHBondContact OD1-CB 3.2Å; D51-E53 PolarHBondContact OD1-N 3.17Å; D51-S54 PolarHBondContact OD1-N 2.92Å; D51-S54 VanDerWaalsContact OD2-CB 3.26Å; D51-S54 WeakPolarHBondContact OD2-CB 3.23Å; D51-S54 PolarHBondContact OD2-N 2.91Å; D51-S54 PolarHBondContact OD2-OG 3.21Å; D51-R55 WeakPolarHBondContact O-CA 3.44Å; D51-R55 PolarHBondContact O-N 2.95Å; D51-R56 PolarHBondContact N-O 3.13Å; D51-R102 IonicContact OD2-CZ 2.87Å; D51-R102 VanDerWaalsContact OD2-CZ 3.26Å; D51-R102 IonicContact OD2-NE 2.89Å; D51-R102 IonicContact OD2-NH1 3.23Å; D51-R102 PolarHBondContact OD2-NH1 3.47Å; D51-R102 IonicContact OD2-NH2 3.48Å
52	M	89.6	Confident	89.2	Confident	56 Å²	56	42.7 Å²	42.7	28%	0.276	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-25.4	-174.6	-63	-174.7	-68	0	0	112.8	I27 R31 R33 I50	I27-M52 HydrophobicContact CD1-CE 4.05Å; I27-M52 HydrophobicContact CD1-SD 4.33Å; I27-M52 HydrophobicContact CG1-CE 4.41Å; I27-M52 HydrophobicContact CG2-CE 3.77Å; R31-M52 WeakPolarHBondContact O-CB 3.3Å; R31-M52 WeakPolarHBondContact O-CE 3.28Å; R31-M52 WeakPolarHBondContact O-CG 3.32Å; R31-M52 PolarHBondContact O-N 3.01Å; R33-M52 HydrophobicContact CB-CG 4.36Å; R33-M52 HydrophobicContact CB-SD 4.37Å; R33-M52 PolarHBondContact NH2-SD 3.05Å; I50-M52 PolarHBondContact O-N 3.4Å
53	E	88.2	Confident	90.1	Very high	139 Å²	139	38.4 Å²	38.4	65%	0.65	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-54.5	179.3	-172.4	-175.3	163.8	0	0	111	R31 D51 R55	R31-E53 IonicContact CZ-OE2 3.17Å; R31-E53 IonicContact NE-OE2 2.69Å; R31-E53 PolarHBondContact NE-OE2 3.21Å; R31-E53 IonicContact NH1-OE2 3.61Å; R31-E53 PolarHBondContact NH1-OE2 3.11Å; R31-E53 IonicContact NH2-OE2 2.78Å; R31-E53 PolarHBondContact NH2-OE2 2.93Å; D51-E53 PolarHBondContact O-N 3.4Å; D51-E53 WeakPolarHBondContact OD1-CB 3.2Å; D51-E53 PolarHBondContact OD1-N 3.17Å; E53-R55 VanDerWaalsContact C-N 3.34Å
54	S	86.6	Confident	90.3	Very high	42 Å²	42	39.6 Å²	39.6	29%	0.294	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-10.6	-178.3	70.8	0	0	0	0	114.3	D51 R56 R102	D51-S54 PolarHBondContact OD1-N 2.92Å; D51-S54 VanDerWaalsContact OD2-CB 3.26Å; D51-S54 WeakPolarHBondContact OD2-CB 3.23Å; D51-S54 PolarHBondContact OD2-N 2.91Å; D51-S54 PolarHBondContact OD2-OG 3.21Å; S54-R56 PolarHBondContact O-N 2.85Å; S54-R102 PolarHBondContact OG-NH2 3.25Å
55	R	88.6	Confident	89.4	Confident	172 Å²	172	42 Å²	42	65%	0.649	22%	0.218	S	C	*	.			trans	56.6	24.5	-174.2	-57.2	-67.7	-64.9	-176.7	-1.8	113.7	D51 E53	D51-R55 WeakPolarHBondContact O-CA 3.44Å; D51-R55 PolarHBondContact O-N 2.95Å; E53-R55 VanDerWaalsContact C-N 3.34Å
56	R	89.9	Confident	87.9	Confident	124 Å²	124	44 Å²	44	47%	0.468	24%	0.239	S	C	.	.			trans	-107.7	142.8	178.5	-66.8	179.7	-178.5	167.9	1.2	111.2	D51 S54 R102	D51-R56 PolarHBondContact N-O 3.13Å; S54-R56 PolarHBondContact O-N 2.85Å; R56-R102 PolarHBondContact O-NH1 3.3Å
57	N	92	Very high	86.2	Confident	74 Å²	74	45.9 Å²	45.9	40%	0.396	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	147	175.5	-59.6	10.4	0	0	0	110.9	E48 A49 L117	E48-N57 PolarHBondContact OE1-ND2 3.26Å; A49-N57 CarbonylContact O-C 3.55Å; A49-N57 VanDerWaalsContact O-CA 3.24Å; A49-N57 WeakPolarHBondContact O-CA 3.37Å; N57-L117 HydrophobicContact CB-CD2 3.68Å
58	V	92.9	Very high	84.3	Confident	3 Å²	3	50.8 Å²	50.8	2%	0.018	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	160.8	178.4	-87.1	0	0	0	0	110.8	E48 A49 R102 V114 M115	E48-V58 CarbonylContact C-O 3.46Å; E48-V58 WeakPolarHBondContact CA-O 3.17Å; A49-V58 HydrophobicContact CB-CG2 4.17Å; A49-V58 PolarHBondContact N-O 2.7Å; A49-V58 WeakPolarHBondContact O-CG2 3.48Å; A49-V58 PolarHBondContact O-N 2.74Å; V58-R102 VanDerWaalsContact CG1-CZ 3.41Å; V58-V114 HydrophobicContact CB-CG1 3.95Å; V58-V114 HydrophobicContact CG1-CG1 4.25Å; V58-V114 HydrophobicContact CG2-CG1 3.88Å; V58-M115 WeakPolarHBondContact CB-O 3.45Å; V58-M115 VanDerWaalsContact CG1-O 3.29Å; V58-M115 WeakPolarHBondContact CG1-O 3.31Å
59	A	93.6	Very high	82.5	Confident	6 Å²	6	57.8 Å²	57.8	5%	0.05	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	142.6	167.1	0	0	0	0	0	110	I38 V46 F47 V114 M115 L117	I38-A59 HydrophobicContact CD1-CB 4.33Å; V46-A59 HydrophobicContact CG1-CB 4.19Å; F47-A59 CarbonylContact O-C 3.51Å; F47-A59 VanDerWaalsContact O-CA 3.29Å; F47-A59 WeakPolarHBondContact O-CA 3.27Å; A59-V114 WeakPolarHBondContact O-CA 3.38Å; A59-M115 HydrophobicContact CB-CG 3.82Å; A59-M115 PolarHBondContact N-O 3.46Å; A59-M115 PolarHBondContact O-N 2.91Å; A59-L117 HydrophobicContact CB-CD1 4.03Å
60	I	92.7	Very high	81	Confident	0 Å²	0	60.6 Å²	60.6	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	113.7	173.8	-52.5	-168.7	0	0	0	108	V28 N32 L34 V46 F47 A49 I62 A112 L113 V114	V28-I60 HydrophobicContact CB-CD1 3.88Å; V28-I60 HydrophobicContact CG1-CD1 4.26Å; V28-I60 HydrophobicContact CG1-CG2 4.22Å; V28-I60 HydrophobicContact CG2-CD1 4.17Å; N32-I60 HydrophobicContact CB-CD1 3.58Å; L34-I60 HydrophobicContact CD2-CB 4.39Å; L34-I60 HydrophobicContact CD2-CD1 3.74Å; L34-I60 HydrophobicContact CD2-CG1 4.39Å; V46-I60 CarbonylContact C-O 3.55Å; V46-I60 WeakPolarHBondContact CA-O 3.19Å; F47-I60 PolarHBondContact N-O 2.81Å; F47-I60 PolarHBondContact O-N 3.1Å; A49-I60 HydrophobicContact CB-CD1 3.51Å; A49-I60 HydrophobicContact CB-CG1 3.81Å; I60-I62 HydrophobicContact CG2-CD1 4.27Å; I60-I62 HydrophobicContact CG2-CG1 3.86Å; I60-A112 HydrophobicContact CG2-CB 4.29Å; I60-L113 WeakPolarHBondContact CA-O 3.36Å; I60-V114 HydrophobicContact CD1-CG2 3.98Å; I60-V114 HydrophobicContact CG1-CB 4.48Å; I60-V114 HydrophobicContact CG1-CG1 4.22Å; I60-V114 HydrophobicContact CG1-CG2 4.01Å; I60-V114 HydrophobicContact CG2-CG2 4.35Å
61	K	92.2	Very high	80	Confident	16 Å²	16	64 Å²	64	7%	0.07	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	127.5	171.3	-171.5	170.4	-178.7	-173.9	0	108.2	D45 V46 L74 E77 A112 L113 M115 D182	D45-K61 CarbonylContact O-C 3.55Å; D45-K61 WeakPolarHBondContact O-CA 3.35Å; V46-K61 HydrophobicContact CG2-CB 4.32Å; V46-K61 HydrophobicContact CG2-CG 4.11Å; K61-L74 HydrophobicContact CB-CD1 4.08Å; K61-L74 HydrophobicContact CD-CD1 3.67Å; K61-L74 HydrophobicContact CG-CD1 3.74Å; K61-L74 WeakPolarHBondContact O-CD2 3.07Å; K61-E77 WeakPolarHBondContact CD-OE2 3.3Å; K61-E77 WeakPolarHBondContact CE-OE2 3.34Å; K61-E77 IonicContact NZ-OE1 3.67Å; K61-E77 IonicContact NZ-OE2 3.17Å; K61-E77 PolarHBondContact NZ-OE2 2.97Å; K61-A112 CarbonylContact O-C 3.34Å; K61-A112 VanDerWaalsContact O-CA 3.27Å; K61-A112 WeakPolarHBondContact O-CA 3.1Å; K61-L113 PolarHBondContact N-O 3.37Å; K61-L113 PolarHBondContact O-N 2.78Å; K61-M115 HydrophobicContact CB-CE 3.86Å; K61-D182 IonicContact NZ-OD1 3.49Å; K61-D182 PolarHBondContact NZ-OD1 2.97Å
62	I	91.3	Very high	79.6	Confident	2 Å²	2	64.6 Å²	64.6	1%	0.01	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.9	-179.5	-52.4	-177	0	0	0	108	I14 G44 D45 F47 I60 F107 R110 F111 A112	I14-I62 HydrophobicContact CD1-CD1 3.56Å; G44-I62 CarbonylContact C-O 3.5Å; G44-I62 WeakPolarHBondContact CA-O 2.92Å; D45-I62 PolarHBondContact N-O 3.26Å; D45-I62 PolarHBondContact O-N 3.21Å; F47-I62 HydrophobicContact CD2-CD1 3.83Å; F47-I62 HydrophobicContact CD2-CG1 4.12Å; F47-I62 HydrophobicContact CE2-CB 4.4Å; F47-I62 HydrophobicContact CE2-CD1 3.81Å; F47-I62 HydrophobicContact CE2-CG1 4.18Å; I60-I62 HydrophobicContact CG2-CD1 4.27Å; I60-I62 HydrophobicContact CG2-CG1 3.86Å; I62-F107 HydrophobicContact CD1-CD1 4.16Å; I62-F107 HydrophobicContact CD1-CE1 4.43Å; I62-R110 HydrophobicContact CG2-CB 4.21Å; I62-F111 WeakPolarHBondContact CA-O 3.19Å; I62-A112 HydrophobicContact CG1-CB 3.94Å; I62-A112 HydrophobicContact CG2-CB 4.49Å
63	D	86.9	Confident	79.4	Confident	6 Å²	6	63.8 Å²	63.8	3%	0.032	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	149	-176.6	-154.9	-38.7	0	0	0	112.6	G65 T72 L74 R110 F111	D63-G65 PolarHBondContact O-N 2.98Å; D63-G65 PolarHBondContact OD1-N 3.5Å; D63-T72 WeakPolarHBondContact OD2-CB 3.44Å; D63-T72 PolarHBondContact OD2-OG1 3.03Å; D63-L74 HydrophobicContact CB-CB 4.46Å; D63-L74 HydrophobicContact CB-CD2 4.29Å; D63-R110 WeakPolarHBondContact O-CD 3.36Å; D63-R110 PolarHBondContact O-NH1 2.98Å; D63-F111 PolarHBondContact N-O 3.12Å
64	C	76.2	Confident	79.4	Confident	68 Å²	68	57.3 Å²	57.3	46%	0.459	34%	0.337	S	S	.	.			trans	-76.8	-6.4	171.1	-72.4	0	0	0	0	112.9	G44	G44-C64 WeakPolarHBondContact CA-SG 3.42Å; G44-C64 PolarHBondContact N-SG 3.12Å
65	G	64.5	Low	79.6	Confident	54 Å²	54	57.8 Å²	57.8	56%	0.557	34%	0.335	S	S	*	.	S	Bend	trans	94	11.3	171.8	0	0	0	0	0	114.8	D63	D63-G65 PolarHBondContact O-N 2.98Å; D63-G65 PolarHBondContact OD1-N 3.5Å
66	A	58.9	Low	79.7	Confident	76 Å²	76	52.6 Å²	52.6	63%	0.628	32%	0.318	S	S	*	.			trans	-89.5	122.7	170.8	0	0	0	0	0	109.8
67	S	58.9	Low	79.8	Confident	75 Å²	75	46.8 Å²	46.8	52%	0.524	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	130.6	169.7	71.5	0	0	0	0	109.7
68	T	53.6	Low	79.7	Confident	105 Å²	105	44.9 Å²	44.9	64%	0.644	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.1	116.7	167.5	13	0	0	0	0	107.8	G70	T68-G70 VanDerWaalsContact C-N 3.3Å; T68-G70 PolarHBondContact O-N 2.73Å
69	N	56.9	Low	79.7	Confident	168 Å²	168	47.5 Å²	47.5	90%	0.898	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.8	27	-179.6	-53.2	-28.9	0	0	0	115.6	I71	N69-I71 PolarHBondContact O-N 3.16Å
70	G	63.1	Low	79.6	Confident	58 Å²	58	47.2 Å²	47.2	60%	0.598	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.2	-4.7	176.9	0	0	0	0	0	115.4	T68	T68-G70 VanDerWaalsContact C-N 3.3Å; T68-G70 PolarHBondContact O-N 2.73Å
71	I	72.9	Confident	79.6	Confident	101 Å²	101	47.3 Å²	47.3	52%	0.518	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	124	169.6	-59.5	176.4	0	0	0	107.3	N69 Q75 H76	N69-I71 PolarHBondContact O-N 3.16Å; I71-Q75 HydrophobicContact CG2-CB 3.85Å; I71-H76 HydrophobicContact CG2-CB 4.45Å
72	T	82	Confident	79.5	Confident	12 Å²	12	49 Å²	49	7%	0.074	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	155.8	174.1	85.6	0	0	0	0	111	D63 L74 Q75 H76 F111	D63-T72 WeakPolarHBondContact OD2-CB 3.44Å; D63-T72 PolarHBondContact OD2-OG1 3.03Å; T72-L74 PolarHBondContact O-N 2.67Å; T72-Q75 WeakPolarHBondContact O-CB 3.48Å; T72-Q75 PolarHBondContact O-N 3.08Å; T72-Q75 PolarHBondContact OG1-N 3.38Å; T72-H76 PolarHBondContact O-N 3.27Å; T72-H76 VanDerWaalsContact O-N 3.12Å; T72-F111 HydrophobicContact CG2-CD2 3.67Å; T72-F111 HydrophobicContact CG2-CE2 3.91Å
73	E	85.6	Confident	79.5	Confident	39 Å²	39	50.4 Å²	50.4	18%	0.182	32%	0.323	C	S	.	.	H	α-helix	trans	-57.8	-35	178.9	-171.7	169.6	136	0	0	111.9	F43 Q75 H76 E77 G184	F43-E73 HydrophobicContact CD1-CG 4.45Å; F43-E73 WeakPolarHBondContact CD1-OE1 3.28Å; F43-E73 WeakPolarHBondContact CD1-OE2 3.36Å; F43-E73 WeakPolarHBondContact CD2-OE1 2.92Å; F43-E73 VanDerWaalsContact CE1-CD 3.42Å; F43-E73 VanDerWaalsContact CE1-OE1 3.27Å; F43-E73 WeakPolarHBondContact CE1-OE1 2.91Å; F43-E73 WeakPolarHBondContact CE1-OE2 3.45Å; F43-E73 VanDerWaalsContact CE2-OE1 3.25Å; F43-E73 WeakPolarHBondContact CE2-OE1 3.27Å; F43-E73 VanDerWaalsContact CG-CD 3.45Å; F43-E73 WeakPolarHBondContact CG-OE1 3.34Å; F43-E73 WeakPolarHBondContact CZ-OE1 3.08Å; E73-Q75 PolarHBondContact O-N 3.09Å; E73-H76 WeakPolarHBondContact O-CB 3.31Å; E73-H76 PolarHBondContact O-N 3.01Å; E73-E77 WeakPolarHBondContact O-CB 3.46Å; E73-E77 PolarHBondContact O-N 3.36Å; E73-G184 WeakPolarHBondContact CG-O 3.46Å; E73-G184 VanDerWaalsContact OE1-CA 3.3Å; E73-G184 WeakPolarHBondContact OE1-CA 3.17Å
74	L	89	Confident	79.7	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	32%	0.321	C	S	.	.	H	α-helix	trans	-68.9	-33.2	177.8	-165.6	63.8	0	0	0	113	K61 D63 T72 E77 H78 F104 F111 L113	K61-L74 HydrophobicContact CB-CD1 4.08Å; K61-L74 HydrophobicContact CD-CD1 3.67Å; K61-L74 HydrophobicContact CG-CD1 3.74Å; K61-L74 WeakPolarHBondContact O-CD2 3.07Å; D63-L74 HydrophobicContact CB-CB 4.46Å; D63-L74 HydrophobicContact CB-CD2 4.29Å; T72-L74 PolarHBondContact O-N 2.67Å; L74-E77 WeakPolarHBondContact CD1-OE2 3.47Å; L74-H78 WeakPolarHBondContact O-CB 3.34Å; L74-H78 PolarHBondContact O-N 3.1Å; L74-F104 HydrophobicContact CD2-CE2 4.43Å; L74-F104 HydrophobicContact CG-CE2 4.15Å; L74-F111 HydrophobicContact CD2-CB 4.02Å; L74-F111 VanDerWaalsContact CD2-O 3.31Å; L74-F111 WeakPolarHBondContact CD2-O 3.33Å; L74-L113 HydrophobicContact CD1-CB 3.88Å; L74-L113 HydrophobicContact CD1-CD2 3.98Å; L74-L113 HydrophobicContact CD2-CB 4.13Å; L74-L113 HydrophobicContact CG-CB 4.1Å
75	Q	89.8	Confident	80	Confident	53 Å²	53	52.8 Å²	52.8	25%	0.248	32%	0.321	C	S	.	.	H	α-helix	trans	-64.9	-44.5	171.7	-72.7	177.3	-71.9	0	0	111.1	I71 T72 E73 H78 S79 F104 F111	I71-Q75 HydrophobicContact CG2-CB 3.85Å; T72-Q75 WeakPolarHBondContact O-CB 3.48Å; T72-Q75 PolarHBondContact O-N 3.08Å; T72-Q75 PolarHBondContact OG1-N 3.38Å; E73-Q75 PolarHBondContact O-N 3.09Å; Q75-H78 PolarHBondContact O-N 3.33Å; Q75-S79 PolarHBondContact O-N 3.47Å; Q75-S79 VanDerWaalsContact O-N 3.1Å; Q75-F104 HydrophobicContact CB-CZ 4.22Å; Q75-F104 HydrophobicContact CG-CE1 4.14Å; Q75-F104 HydrophobicContact CG-CZ 3.62Å; Q75-F111 HydrophobicContact CG-CD1 4.06Å; Q75-F111 HydrophobicContact CG-CD2 3.73Å; Q75-F111 HydrophobicContact CG-CE1 4.03Å; Q75-F111 HydrophobicContact CG-CE2 3.71Å; Q75-F111 HydrophobicContact CG-CG 3.92Å; Q75-F111 HydrophobicContact CG-CZ 3.86Å
76	H	91.1	Very high	80.7	Confident	62 Å²	62	58.6 Å²	58.6	29%	0.287	33%	0.332	S	S	.	.	H	α-helix	trans	-61.7	-49.9	175.7	173.8	70.1	0	0	0	111	I71 T72 E73 H78 S79 V80 G184 A186	I71-H76 HydrophobicContact CG2-CB 4.45Å; T72-H76 PolarHBondContact O-N 3.27Å; T72-H76 VanDerWaalsContact O-N 3.12Å; E73-H76 WeakPolarHBondContact O-CB 3.31Å; E73-H76 PolarHBondContact O-N 3.01Å; H76-H78 VanDerWaalsContact C-N 3.32Å; H76-H78 PolarHBondContact O-N 3.34Å; H76-S79 WeakPolarHBondContact O-CA 3.34Å; H76-S79 WeakPolarHBondContact O-CB 3.25Å; H76-S79 PolarHBondContact O-N 2.96Å; H76-S79 PolarHBondContact O-OG 3.09Å; H76-V80 PolarHBondContact O-N 2.99Å; H76-G184 PolarHBondContact CD2-O 3.34Å; H76-G184 VanDerWaalsContact CD2-O 3.25Å; H76-A186 PolarHBondContact CE1-O 3.25Å; H76-A186 PolarHBondContact NE2-O 3.11Å
77	E	91.9	Very high	82	Confident	3 Å²	3	55.2 Å²	55.2	1%	0.014	30%	0.304	C	S	.	.	H	α-helix	trans	-53.8	-48.4	177	-173.5	179.5	-174.8	0	0	111.2	K61 E73 L74 S79 V80 Y81 D182 F183	K61-E77 WeakPolarHBondContact CD-OE2 3.3Å; K61-E77 WeakPolarHBondContact CE-OE2 3.34Å; K61-E77 IonicContact NZ-OE1 3.67Å; K61-E77 IonicContact NZ-OE2 3.17Å; K61-E77 PolarHBondContact NZ-OE2 2.97Å; E73-E77 WeakPolarHBondContact O-CB 3.46Å; E73-E77 PolarHBondContact O-N 3.36Å; L74-E77 WeakPolarHBondContact CD1-OE2 3.47Å; E77-S79 VanDerWaalsContact C-N 3.29Å; E77-S79 PolarHBondContact O-N 2.8Å; E77-V80 PolarHBondContact O-N 2.91Å; E77-V80 VanDerWaalsContact O-N 3.16Å; E77-Y81 HydrophobicContact CG-CD2 3.77Å; E77-Y81 HydrophobicContact CG-CE2 3.62Å; E77-Y81 VanDerWaalsContact O-CB 3.32Å; E77-Y81 WeakPolarHBondContact O-CB 3.47Å; E77-Y81 WeakPolarHBondContact O-CD2 3.42Å; E77-Y81 PolarHBondContact O-N 2.71Å; E77-Y81 VanDerWaalsContact OE1-CE2 3.28Å; E77-Y81 WeakPolarHBondContact OE1-CE2 3.39Å; E77-D182 WeakPolarHBondContact OE1-CA 3.42Å; E77-F183 HydrophobicContact CG-CB 4.05Å; E77-F183 PolarHBondContact OE1-N 2.8Å
78	H	90.6	Very high	83.6	Confident	33 Å²	33	56.5 Å²	56.5	15%	0.153	30%	0.3	C	S	.	.	H	α-helix	trans	-57	-40.5	175.5	173.6	-116.9	0	0	0	112.4	L74 Q75 H76 Y81 L82 Y101 F104 L113	L74-H78 WeakPolarHBondContact O-CB 3.34Å; L74-H78 PolarHBondContact O-N 3.1Å; Q75-H78 PolarHBondContact O-N 3.33Å; H76-H78 VanDerWaalsContact C-N 3.32Å; H76-H78 PolarHBondContact O-N 3.34Å; H78-Y81 WeakPolarHBondContact O-CB 3.41Å; H78-Y81 PolarHBondContact O-N 3.12Å; H78-L82 WeakPolarHBondContact O-CG 3Å; H78-L82 PolarHBondContact O-N 3.46Å; H78-Y101 AromaticContact CD2-CD2 3.89Å; H78-Y101 AromaticContact CD2-CG 3.88Å; H78-Y101 AromaticContact NE2-CD2 3.96Å; H78-F104 HydrophobicContact CB-CD2 3.93Å; H78-F104 HydrophobicContact CB-CE2 4.02Å; H78-F104 HydrophobicContact CB-CG 4.23Å; H78-F104 HydrophobicContact CB-CZ 4.41Å; H78-F104 AromaticContact CD2-CG 3.93Å; H78-F104 AromaticContact CE1-CD1 3.77Å; H78-F104 AromaticContact CE1-CG 3.8Å; H78-F104 AromaticContact CG-CD1 4Å; H78-F104 AromaticContact CG-CD2 3.86Å; H78-F104 AromaticContact CG-CG 3.66Å; H78-F104 AromaticContact ND1-CD1 3.47Å; H78-F104 WeakPolarHBondContact ND1-CD1 2.95Å; H78-F104 AromaticContact ND1-CE1 3.98Å; H78-F104 AromaticContact ND1-CG 3.59Å; H78-L113 HydrophobicContact CB-CD1 4.22Å; H78-L113 HydrophobicContact CB-CD2 4.49Å
79	S	91.3	Very high	85.4	Confident	59 Å²	59	53.6 Å²	53.6	41%	0.413	28%	0.278	S	S	.	.	H	α-helix	trans	-65.2	-38.9	177.2	85.1	0	0	0	0	112.9	Q75 H76 E77 L82 A83	Q75-S79 PolarHBondContact O-N 3.47Å; Q75-S79 VanDerWaalsContact O-N 3.1Å; H76-S79 WeakPolarHBondContact O-CA 3.34Å; H76-S79 WeakPolarHBondContact O-CB 3.25Å; H76-S79 PolarHBondContact O-N 2.96Å; H76-S79 PolarHBondContact O-OG 3.09Å; E77-S79 VanDerWaalsContact C-N 3.29Å; E77-S79 PolarHBondContact O-N 2.8Å; S79-L82 PolarHBondContact O-N 3.12Å; S79-A83 PolarHBondContact O-N 3.34Å; S79-A83 VanDerWaalsContact O-N 3.08Å
80	V	93.2	Very high	87.1	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-67.2	-47	177	178.1	0	0	0	0	109.5	H76 E77 L82 A83 L84 F157 F183 A186	H76-V80 PolarHBondContact O-N 2.99Å; E77-V80 PolarHBondContact O-N 2.91Å; E77-V80 VanDerWaalsContact O-N 3.16Å; V80-L82 VanDerWaalsContact C-N 3.32Å; V80-L82 PolarHBondContact O-N 3.47Å; V80-A83 CarbonylContact O-C 3.34Å; V80-A83 WeakPolarHBondContact O-CA 3.47Å; V80-A83 WeakPolarHBondContact O-CB 3.31Å; V80-A83 PolarHBondContact O-N 2.99Å; V80-L84 HydrophobicContact CG1-CD1 3.77Å; V80-L84 HydrophobicContact CG1-CG 4.12Å; V80-L84 VanDerWaalsContact O-CG 3.31Å; V80-L84 WeakPolarHBondContact O-CG 3.49Å; V80-L84 PolarHBondContact O-N 2.9Å; V80-F157 HydrophobicContact CG1-CD1 4.2Å; V80-F157 HydrophobicContact CG1-CE1 4.34Å; V80-F157 HydrophobicContact CG1-CG 4.33Å; V80-F157 HydrophobicContact CG2-CD1 4.27Å; V80-F157 HydrophobicContact CG2-CE1 3.9Å; V80-F157 HydrophobicContact CG2-CZ 4.48Å; V80-F183 HydrophobicContact CB-CB 3.98Å; V80-F183 HydrophobicContact CG1-CB 3.74Å; V80-F183 HydrophobicContact CG1-CD1 3.91Å; V80-F183 HydrophobicContact CG1-CG 3.94Å; V80-A186 HydrophobicContact CG1-CB 4.1Å; V80-A186 HydrophobicContact CG2-CB 4.3Å
81	Y	91.8	Very high	88.1	Confident	1 Å²	1	43.4 Å²	43.4	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-51.3	-48.8	172.3	-100.5	-38.8	0	0	0	112.2	E77 H78 A83 L84 R85 I90 Y101 L113 M115 F183	E77-Y81 HydrophobicContact CG-CD2 3.77Å; E77-Y81 HydrophobicContact CG-CE2 3.62Å; E77-Y81 VanDerWaalsContact O-CB 3.32Å; E77-Y81 WeakPolarHBondContact O-CB 3.47Å; E77-Y81 WeakPolarHBondContact O-CD2 3.42Å; E77-Y81 PolarHBondContact O-N 2.71Å; E77-Y81 VanDerWaalsContact OE1-CE2 3.28Å; E77-Y81 WeakPolarHBondContact OE1-CE2 3.39Å; H78-Y81 WeakPolarHBondContact O-CB 3.41Å; H78-Y81 PolarHBondContact O-N 3.12Å; Y81-A83 VanDerWaalsContact C-N 3.28Å; Y81-A83 PolarHBondContact O-N 2.82Å; Y81-L84 CarbonylContact O-C 3.5Å; Y81-L84 PolarHBondContact O-N 3.19Å; Y81-R85 PolarHBondContact O-N 3.19Å; Y81-I90 HydrophobicContact CD1-CG2 3.96Å; Y81-I90 HydrophobicContact CE1-CG2 4Å; Y81-Y101 VanDerWaalsContact CA-OH 3.32Å; Y81-Y101 WeakPolarHBondContact CA-OH 3.06Å; Y81-Y101 WeakPolarHBondContact CB-OH 3.41Å; Y81-Y101 AromaticContact CD1-CE1 3.58Å; Y81-Y101 HydrophobicContact CD1-CE1 3.58Å; Y81-Y101 AromaticContact CD1-CZ 3.85Å; Y81-Y101 WeakPolarHBondContact CD1-OH 2.94Å; Y81-Y101 HydrophobicContact CD2-CD1 4.4Å; Y81-Y101 AromaticContact CD2-CE1 3.85Å; Y81-Y101 HydrophobicContact CD2-CE1 3.85Å; Y81-Y101 HydrophobicContact CE1-CE1 4.37Å; Y81-Y101 HydrophobicContact CG-CD1 4.22Å; Y81-Y101 AromaticContact CG-CE1 3.29Å; Y81-Y101 HydrophobicContact CG-CE1 3.29Å; Y81-Y101 AromaticContact CG-CZ 3.61Å; Y81-Y101 PolarHBondContact O-OH 3.1Å; Y81-L113 HydrophobicContact CD2-CD2 3.88Å; Y81-L113 HydrophobicContact CE2-CD2 4Å; Y81-M115 HydrophobicContact CE2-CE 4.43Å; Y81-F183 AromaticContact CD1-CD2 3.92Å; Y81-F183 HydrophobicContact CD1-CD2 3.92Å; Y81-F183 HydrophobicContact CD1-CE2 4.11Å; Y81-F183 AromaticContact CE1-CD2 3.48Å; Y81-F183 HydrophobicContact CE1-CD2 3.48Å; Y81-F183 VanDerWaalsContact CE1-CD2 3.48Å; Y81-F183 AromaticContact CE1-CE2 3.51Å; Y81-F183 HydrophobicContact CE1-CE2 3.51Å; Y81-F183 HydrophobicContact CE2-CD2 4.17Å; Y81-F183 HydrophobicContact CG-CD2 4.42Å; Y81-F183 AromaticContact CZ-CD2 3.59Å; Y81-F183 AromaticContact CZ-CE2 3.96Å
82	L	89.4	Confident	87.9	Confident	51 Å²	51	43.1 Å²	43.1	27%	0.267	20%	0.202	S	C	.	.	H	α-helix	trans	-59	-35.5	173.1	-72.6	173.9	0	0	0	112.9	H78 S79 V80 R85 Y101	H78-L82 WeakPolarHBondContact O-CG 3Å; H78-L82 PolarHBondContact O-N 3.46Å; S79-L82 PolarHBondContact O-N 3.12Å; V80-L82 VanDerWaalsContact C-N 3.32Å; V80-L82 PolarHBondContact O-N 3.47Å; L82-R85 WeakPolarHBondContact O-CB 3.43Å; L82-R85 WeakPolarHBondContact O-CG 3.27Å; L82-R85 PolarHBondContact O-NE 2.83Å; L82-R85 PolarHBondContact O-NH2 3.29Å; L82-Y101 HydrophobicContact CD2-CD2 3.88Å; L82-Y101 HydrophobicContact CD2-CE2 3.87Å; L82-Y101 HydrophobicContact CG-CD2 4.32Å; L82-Y101 HydrophobicContact CG-CE2 4.21Å
83	A	91.4	Very high	86.4	Confident	32 Å²	32	44.4 Å²	44.4	26%	0.264	21%	0.21	S	C	.	.	H	α-helix	trans	-73	-28.9	175.2	0	0	0	0	0	113.1	S79 V80 Y81 R85 R155 F157	S79-A83 PolarHBondContact O-N 3.34Å; S79-A83 VanDerWaalsContact O-N 3.08Å; V80-A83 CarbonylContact O-C 3.34Å; V80-A83 WeakPolarHBondContact O-CA 3.47Å; V80-A83 WeakPolarHBondContact O-CB 3.31Å; V80-A83 PolarHBondContact O-N 2.99Å; Y81-A83 VanDerWaalsContact C-N 3.28Å; Y81-A83 PolarHBondContact O-N 2.82Å; A83-R85 VanDerWaalsContact C-N 3.34Å; A83-R155 PolarHBondContact O-NH1 2.85Å; A83-F157 HydrophobicContact CB-CE2 3.64Å; A83-F157 HydrophobicContact CB-CZ 4.04Å
84	L	91.6	Very high	84.3	Confident	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	3.2	178.7	-63.3	-177.8	0	0	0	113.6	V80 Y81 G87 I90 F151 V152 R155 F157 F183	V80-L84 HydrophobicContact CG1-CD1 3.77Å; V80-L84 HydrophobicContact CG1-CG 4.12Å; V80-L84 VanDerWaalsContact O-CG 3.31Å; V80-L84 WeakPolarHBondContact O-CG 3.49Å; V80-L84 PolarHBondContact O-N 2.9Å; Y81-L84 CarbonylContact O-C 3.5Å; Y81-L84 PolarHBondContact O-N 3.19Å; L84-G87 PolarHBondContact O-N 2.97Å; L84-G87 VanDerWaalsContact O-N 3.14Å; L84-I90 HydrophobicContact CB-CG1 4.27Å; L84-I90 HydrophobicContact CB-CG2 4.46Å; L84-I90 HydrophobicContact CD1-CD1 4.22Å; L84-F151 HydrophobicContact CB-CE1 4.23Å; L84-F151 HydrophobicContact CD2-CE1 4.11Å; L84-V152 HydrophobicContact CD1-CG2 4.09Å; L84-V152 HydrophobicContact CD2-CG1 4.47Å; L84-V152 HydrophobicContact CD2-CG2 4.35Å; L84-R155 HydrophobicContact CD2-CB 3.52Å; L84-R155 HydrophobicContact CD2-CG 3.83Å; L84-F157 HydrophobicContact CD2-CD2 4.45Å; L84-F183 HydrophobicContact CD1-CD1 3.65Å; L84-F183 HydrophobicContact CD1-CD2 4.34Å; L84-F183 HydrophobicContact CD1-CE1 3.33Å; L84-F183 HydrophobicContact CD1-CE2 4.08Å; L84-F183 HydrophobicContact CD1-CG 4.16Å; L84-F183 HydrophobicContact CD1-CZ 3.59Å
85	R	82.7	Confident	81.9	Confident	124 Å²	124	51.2 Å²	51.2	47%	0.468	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.7	143.2	-179.7	77.3	-178.8	87.3	174.3	4.6	112.2	Y81 L82 A83 G87 F100 R155	Y81-R85 PolarHBondContact O-N 3.19Å; L82-R85 WeakPolarHBondContact O-CB 3.43Å; L82-R85 WeakPolarHBondContact O-CG 3.27Å; L82-R85 PolarHBondContact O-NE 2.83Å; L82-R85 PolarHBondContact O-NH2 3.29Å; A83-R85 VanDerWaalsContact C-N 3.34Å; R85-G87 PolarHBondContact O-N 3.39Å; R85-F100 HydrophobicContact CB-CD1 3.94Å; R85-F100 HydrophobicContact CB-CE1 4.01Å; R85-R155 PolarHBondContact O-NH1 3.27Å
86	K	79.8	Confident	79.3	Confident	177 Å²	177	53.2 Å²	53.2	77%	0.77	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	69	9.4	-176.7	-51.5	176.4	177.4	-179.3	0	115.3	F88 F100	K86-F88 PolarHBondContact O-N 2.9Å; K86-F100 HydrophobicContact CG-CE1 4.31Å
87	G	86.4	Confident	76.6	Confident	5 Å²	5	55.5 Å²	55.5	5%	0.052	30%	0.3	C	S	.	.			trans	-64.1	131.1	172	0	0	0	0	0	112.2	L84 R85 W89 I90 F151	L84-G87 PolarHBondContact O-N 2.97Å; L84-G87 VanDerWaalsContact O-N 3.14Å; R85-G87 PolarHBondContact O-N 3.39Å; G87-W89 PolarHBondContact O-N 3.33Å; G87-I90 PolarHBondContact O-N 3.12Å; G87-F151 VanDerWaalsContact CA-CE1 3.48Å
88	F	90.6	Very high	73.7	Confident	101 Å²	101	60.9 Å²	60.9	44%	0.443	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-34.2	177.5	-175.6	-109.2	0	0	0	111.9	K86 R92 H177	K86-F88 PolarHBondContact O-N 2.9Å; F88-R92 VanDerWaalsContact CE2-NH2 3.25Å; F88-H177 AromaticContact CD1-CE1 3.45Å; F88-H177 VanDerWaalsContact CD1-CE1 3.45Å; F88-H177 WeakPolarHBondContact CD1-CE1 3.48Å; F88-H177 AromaticContact CE1-CE1 3.19Å; F88-H177 WeakPolarHBondContact CE1-CE1 3.4Å; F88-H177 AromaticContact CE1-ND1 3.44Å; F88-H177 WeakPolarHBondContact CE1-ND1 3.33Å; F88-H177 AromaticContact CZ-CE1 3.68Å; F88-H177 AromaticContact CZ-ND1 3.62Å; F88-H177 PolarHBondContact O-CE1 3.26Å; F88-H177 VanDerWaalsContact O-CE1 3.26Å; F88-H177 PolarHBondContact O-NE2 2.89Å
89	W	93.3	Very high	71.2	Confident	44 Å²	44	64.5 Å²	64.5	17%	0.167	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-0.4	-177.9	-46.1	111.5	0	0	0	114.1	G87 Q144 S147 A148 H177 Y179 L180	G87-W89 PolarHBondContact O-N 3.33Å; W89-Q144 HydrophobicContact CH2-CB 4.47Å; W89-Q144 HydrophobicContact CH2-CG 4.31Å; W89-Q144 HydrophobicContact CZ3-CB 3.92Å; W89-Q144 HydrophobicContact CZ3-CG 3.95Å; W89-S147 VanDerWaalsContact CD1-O 3.31Å; W89-S147 PolarHBondContact NE1-O 3.34Å; W89-A148 HydrophobicContact CB-CB 3.54Å; W89-A148 HydrophobicContact CD2-CB 4.42Å; W89-A148 HydrophobicContact CG-CB 3.86Å; W89-H177 AromaticContact CE3-CE1 3.47Å; W89-H177 VanDerWaalsContact CE3-CE1 3.47Å; W89-H177 AromaticContact CE3-NE2 3.84Å; W89-H177 AromaticContact CZ3-CE1 3.62Å; W89-Y179 WeakPolarHBondContact O-CA 3.19Å; W89-L180 PolarHBondContact O-N 3.49Å
90	I	91.2	Very high	68.7	Low	3 Å²	3	64.8 Å²	64.8	2%	0.015	34%	0.344	C	S	.	.	S	Bend	trans	-107.1	135.9	-176.5	-52.6	-58.1	0	0	0	107.8	Y81 L84 G87 R92 F151 V152 F183	Y81-I90 HydrophobicContact CD1-CG2 3.96Å; Y81-I90 HydrophobicContact CE1-CG2 4Å; L84-I90 HydrophobicContact CB-CG1 4.27Å; L84-I90 HydrophobicContact CB-CG2 4.46Å; L84-I90 HydrophobicContact CD1-CD1 4.22Å; G87-I90 PolarHBondContact O-N 3.12Å; I90-R92 PolarHBondContact O-N 2.84Å; I90-F151 HydrophobicContact CD1-CD1 4.26Å; I90-F151 HydrophobicContact CD1-CE1 4.36Å; I90-F151 HydrophobicContact CG1-CD1 3.9Å; I90-F151 HydrophobicContact CG1-CE1 3.63Å; I90-V152 HydrophobicContact CD1-CG2 4.18Å; I90-F183 HydrophobicContact CD1-CE2 4.17Å; I90-F183 HydrophobicContact CD1-CZ 3.58Å
91	P	84.4	Confident	66.8	Low	9 Å²	9	65.5 Å²	65.5	6%	0.058	35%	0.347	C	S	.	.			trans	-49.8	125.8	-177.6	-29.1	36.7	0	0	0	111.3	E116 L118 Y179 L180 T181	P91-E116 HydrophobicContact CB-CB 4.12Å; P91-L118 HydrophobicContact CB-CD1 4.37Å; P91-L118 HydrophobicContact CG-CD1 3.79Å; P91-Y179 HydrophobicContact CB-CD1 4.43Å; P91-Y179 HydrophobicContact CG-CD1 4.13Å; P91-Y179 HydrophobicContact CG-CG 4.48Å; P91-L180 WeakPolarHBondContact CD-O 3.33Å; P91-T181 HydrophobicContact CG-CG2 3.82Å
92	R	68.4	Low	65.4	Low	95 Å²	95	67.9 Å²	67.9	36%	0.358	36%	0.355	S	S	.	.			trans	-80.1	150	-164.3	-74.7	-167.7	-172.6	-122.6	6.5	112.4	F88 I90 I94 E116	F88-R92 VanDerWaalsContact CE2-NH2 3.25Å; I90-R92 PolarHBondContact O-N 2.84Å; R92-I94 PolarHBondContact O-N 3.35Å; R92-E116 PolarHBondContact N-OE2 3.23Å
93	T	50.7	Low	64.9	Low	39 Å²	39	68.7 Å²	68.7	24%	0.239	36%	0.355	C	S	.	.			trans	-89.2	100.5	161	61.1	0	0	0	0	105.4	N95 F100	T93-N95 PolarHBondContact O-N 3.24Å; T93-F100 VanDerWaalsContact CG2-CA 3.41Å; T93-F100 HydrophobicContact CG2-CB 3.83Å; T93-F100 HydrophobicContact CG2-CD1 3.42Å; T93-F100 VanDerWaalsContact CG2-CD1 3.42Å; T93-F100 HydrophobicContact CG2-CE1 4.11Å; T93-F100 HydrophobicContact CG2-CG 3.79Å; T93-F100 WeakPolarHBondContact OG1-CD1 3.47Å; T93-F100 WeakPolarHBondContact OG1-CE1 3.43Å
94	I	42.8	Very low	64.8	Low	68 Å²	68	69.6 Å²	69.6	35%	0.349	35%	0.353	S	S	.	.			trans	-63.8	125	-172.9	-67.4	169.7	0	0	0	110.4	R92	R92-I94 PolarHBondContact O-N 3.35Å
95	N	37.6	Very low	64.6	Low	117 Å²	117	70.3 Å²	70.3	63%	0.626	36%	0.36	S	S	*	.	S	Bend	trans	59.5	91.6	163.9	-66.1	-2.7	0	0	0	118.3	T93 T97	T93-N95 PolarHBondContact O-N 3.24Å; N95-T97 PolarHBondContact O-N 3.41Å; N95-T97 PolarHBondContact O-OG1 3.39Å
96	G	35.7	Very low	64.8	Low	94 Å²	94	68.7 Å²	68.7	97%	0.969	36%	0.364	S	S	*	.	S	Bend	trans	63.3	-15.7	137.1	0	0	0	0	0	119.5
97	T	34.4	Very low	65.2	Low	111 Å²	111	61.6 Å²	61.6	68%	0.681	33%	0.333	S	S	*	.	S	Bend	trans	-128.6	106.9	-173.8	-30.4	0	0	0	0	105.8	N95 H99	N95-T97 PolarHBondContact O-N 3.41Å; N95-T97 PolarHBondContact O-OG1 3.39Å; T97-H99 PolarHBondContact O-N 2.77Å
98	V	30.2	Very low	65.2	Low	115 Å²	115	66.4 Å²	66.4	70%	0.697	35%	0.35	S	S	*	.	S	Bend	trans	-12.5	89.4	167.6	-172	0	0	0	0	115
99	H	37.7	Very low	64.9	Low	109 Å²	109	65 Å²	65	51%	0.505	36%	0.364	S	S	.	.			trans	-150.8	68.5	152.2	-71	-62.3	0	0	0	108.1	T97 Y101	T97-H99 PolarHBondContact O-N 2.77Å; H99-Y101 PolarHBondContact O-N 3.3Å
100	F	39.6	Very low	64.7	Low	65 Å²	65	65.6 Å²	65.6	29%	0.285	37%	0.366	S	S	.	.	S	Bend	trans	-75.1	120.1	176.1	-68.8	-102.1	0	0	0	108.8	R85 K86 T93	R85-F100 HydrophobicContact CB-CD1 3.94Å; R85-F100 HydrophobicContact CB-CE1 4.01Å; K86-F100 HydrophobicContact CG-CE1 4.31Å; T93-F100 VanDerWaalsContact CG2-CA 3.41Å; T93-F100 HydrophobicContact CG2-CB 3.83Å; T93-F100 HydrophobicContact CG2-CD1 3.42Å; T93-F100 VanDerWaalsContact CG2-CD1 3.42Å; T93-F100 HydrophobicContact CG2-CE1 4.11Å; T93-F100 HydrophobicContact CG2-CG 3.79Å; T93-F100 WeakPolarHBondContact OG1-CD1 3.47Å; T93-F100 WeakPolarHBondContact OG1-CE1 3.43Å
101	Y	53.2	Low	64.6	Low	16 Å²	16	67.7 Å²	67.7	6%	0.063	38%	0.375	C	S	.	.	S	Bend	trans	54.6	92.7	-165.3	-46.3	-75.8	0	0	0	108.4	H78 Y81 L82 H99 W103 L113 V114	H78-Y101 AromaticContact CD2-CD2 3.89Å; H78-Y101 AromaticContact CD2-CG 3.88Å; H78-Y101 AromaticContact NE2-CD2 3.96Å; Y81-Y101 VanDerWaalsContact CA-OH 3.32Å; Y81-Y101 WeakPolarHBondContact CA-OH 3.06Å; Y81-Y101 WeakPolarHBondContact CB-OH 3.41Å; Y81-Y101 AromaticContact CD1-CE1 3.58Å; Y81-Y101 HydrophobicContact CD1-CE1 3.58Å; Y81-Y101 AromaticContact CD1-CZ 3.85Å; Y81-Y101 WeakPolarHBondContact CD1-OH 2.94Å; Y81-Y101 HydrophobicContact CD2-CD1 4.4Å; Y81-Y101 AromaticContact CD2-CE1 3.85Å; Y81-Y101 HydrophobicContact CD2-CE1 3.85Å; Y81-Y101 HydrophobicContact CE1-CE1 4.37Å; Y81-Y101 HydrophobicContact CG-CD1 4.22Å; Y81-Y101 AromaticContact CG-CE1 3.29Å; Y81-Y101 HydrophobicContact CG-CE1 3.29Å; Y81-Y101 AromaticContact CG-CZ 3.61Å; Y81-Y101 PolarHBondContact O-OH 3.1Å; L82-Y101 HydrophobicContact CD2-CD2 3.88Å; L82-Y101 HydrophobicContact CD2-CE2 3.87Å; L82-Y101 HydrophobicContact CG-CD2 4.32Å; L82-Y101 HydrophobicContact CG-CE2 4.21Å; H99-Y101 PolarHBondContact O-N 3.3Å; Y101-W103 VanDerWaalsContact O-CA 3.32Å; Y101-W103 WeakPolarHBondContact O-CA 3.44Å; Y101-W103 PolarHBondContact O-N 3.39Å; Y101-L113 HydrophobicContact CD1-CD1 3.86Å; Y101-L113 HydrophobicContact CG-CD1 3.93Å; Y101-V114 CarbonylContact C-O 3.47Å; Y101-V114 WeakPolarHBondContact CA-O 3.38Å
102	R	61.8	Low	64.9	Low	50 Å²	50	67.2 Å²	67.2	19%	0.189	37%	0.372	C	S	.	.	S	Bend	trans	-43.7	-33.9	-162.7	-72.3	-169.8	171.9	168.3	-16.1	112.6	D51 S54 R56 V58 V114	D51-R102 IonicContact OD2-CZ 2.87Å; D51-R102 VanDerWaalsContact OD2-CZ 3.26Å; D51-R102 IonicContact OD2-NE 2.89Å; D51-R102 IonicContact OD2-NH1 3.23Å; D51-R102 PolarHBondContact OD2-NH1 3.47Å; D51-R102 IonicContact OD2-NH2 3.48Å; S54-R102 PolarHBondContact OG-NH2 3.25Å; R56-R102 PolarHBondContact O-NH1 3.3Å; V58-R102 VanDerWaalsContact CG1-CZ 3.41Å; R102-V114 HydrophobicContact CB-CB 3.95Å; R102-V114 HydrophobicContact CB-CG1 3.67Å; R102-V114 HydrophobicContact CG-CG1 4.18Å; R102-V114 PolarHBondContact N-O 2.79Å; R102-V114 VanDerWaalsContact N-O 3.09Å
103	W	80.6	Confident	66	Low	69 Å²	69	62.7 Å²	62.7	26%	0.261	36%	0.355	S	S	.	.			trans	-155.7	142.2	166	178	88.6	0	0	0	110.2	V28 Y101 G105 F107 A112 V114	V28-W103 HydrophobicContact CG1-CE3 3.87Å; V28-W103 HydrophobicContact CG1-CH2 4.09Å; V28-W103 HydrophobicContact CG1-CZ3 3.38Å; Y101-W103 VanDerWaalsContact O-CA 3.32Å; Y101-W103 WeakPolarHBondContact O-CA 3.44Å; Y101-W103 PolarHBondContact O-N 3.39Å; W103-G105 WeakPolarHBondContact CH2-O 3.38Å; W103-F107 HydrophobicContact CH2-CB 4.14Å; W103-A112 HydrophobicContact CH2-CB 4.45Å; W103-A112 HydrophobicContact CZ3-CB 3.71Å; W103-V114 HydrophobicContact CB-CG2 4.09Å; W103-V114 HydrophobicContact CE3-CG2 4.12Å; W103-V114 PolarHBondContact O-N 3.44Å
104	F	87.6	Confident	67.9	Low	51 Å²	51	60.9 Å²	60.9	22%	0.224	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	130.5	161.9	178	-102.3	0	0	0	108.1	L74 Q75 H78 F111 A112 L113	L74-F104 HydrophobicContact CD2-CE2 4.43Å; L74-F104 HydrophobicContact CG-CE2 4.15Å; Q75-F104 HydrophobicContact CB-CZ 4.22Å; Q75-F104 HydrophobicContact CG-CE1 4.14Å; Q75-F104 HydrophobicContact CG-CZ 3.62Å; H78-F104 HydrophobicContact CB-CD2 3.93Å; H78-F104 HydrophobicContact CB-CE2 4.02Å; H78-F104 HydrophobicContact CB-CG 4.23Å; H78-F104 HydrophobicContact CB-CZ 4.41Å; H78-F104 AromaticContact CD2-CG 3.93Å; H78-F104 AromaticContact CE1-CD1 3.77Å; H78-F104 AromaticContact CE1-CG 3.8Å; H78-F104 AromaticContact CG-CD1 4Å; H78-F104 AromaticContact CG-CD2 3.86Å; H78-F104 AromaticContact CG-CG 3.66Å; H78-F104 AromaticContact ND1-CD1 3.47Å; H78-F104 WeakPolarHBondContact ND1-CD1 2.95Å; H78-F104 AromaticContact ND1-CE1 3.98Å; H78-F104 AromaticContact ND1-CG 3.59Å; F104-F111 AromaticContact CE1-CD1 3.76Å; F104-F111 HydrophobicContact CE1-CD1 3.76Å; F104-F111 HydrophobicContact CE1-CE1 4.13Å; F104-F111 HydrophobicContact CE2-CB 4.02Å; F104-F111 HydrophobicContact CE2-CD1 4.19Å; F104-F111 HydrophobicContact CE2-CG 4.4Å; F104-F111 HydrophobicContact CZ-CB 3.94Å; F104-F111 AromaticContact CZ-CD1 3.4Å; F104-F111 HydrophobicContact CZ-CD1 3.4Å; F104-F111 VanDerWaalsContact CZ-CD1 3.4Å; F104-F111 HydrophobicContact CZ-CE1 4.14Å; F104-F111 AromaticContact CZ-CG 3.82Å; F104-F111 HydrophobicContact CZ-CG 3.82Å; F104-A112 WeakPolarHBondContact CA-O 3.43Å; F104-A112 WeakPolarHBondContact CD2-O 3.29Å; F104-L113 HydrophobicContact CB-CD1 4.14Å; F104-L113 HydrophobicContact CD2-CB 4Å; F104-L113 HydrophobicContact CD2-CD1 3.86Å; F104-L113 HydrophobicContact CG-CD1 4.42Å
105	G	87.7	Confident	70.1	Confident	14 Å²	14	58.9 Å²	58.9	14%	0.144	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.1	-172.3	-179.9	0	0	0	0	0	113.5	W103 F111 A112	W103-G105 WeakPolarHBondContact CH2-O 3.38Å; G105-F111 CarbonylContact O-C 3.46Å; G105-F111 WeakPolarHBondContact O-CA 3.38Å; G105-A112 PolarHBondContact N-O 3.04Å; G105-A112 VanDerWaalsContact N-O 3.12Å; G105-A112 PolarHBondContact O-N 3.46Å
106	V	88.3	Confident	72.6	Confident	91 Å²	91	54.8 Å²	54.8	55%	0.552	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	130.3	-179.8	-178	0	0	0	0	110.1	R110 F111	V106-R110 CarbonylContact C-O 3.5Å; V106-R110 VanDerWaalsContact CA-O 3.31Å; V106-R110 WeakPolarHBondContact CA-O 3.48Å; V106-F111 HydrophobicContact CG2-CD1 4.1Å; V106-F111 HydrophobicContact CG2-CE1 3.75Å; V106-F111 HydrophobicContact CG2-CZ 4.28Å
107	F	87.3	Confident	75.3	Confident	27 Å²	27	51.2 Å²	51.2	12%	0.118	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	121.3	174.9	174.2	-99.6	0	0	0	109.1	I14 V26 I27 V28 I62 W103 G109 R110 A112	I14-F107 HydrophobicContact CD1-CE1 4.07Å; I14-F107 HydrophobicContact CG1-CE1 4.4Å; V26-F107 HydrophobicContact CG1-CE1 4.02Å; V26-F107 HydrophobicContact CG1-CE2 3.97Å; V26-F107 HydrophobicContact CG1-CZ 3.26Å; I27-F107 WeakPolarHBondContact O-CE2 3.5Å; V28-F107 HydrophobicContact CB-CD2 4.36Å; V28-F107 HydrophobicContact CG1-CB 4.31Å; V28-F107 HydrophobicContact CG1-CD2 4.36Å; V28-F107 HydrophobicContact CG1-CG 4.27Å; V28-F107 HydrophobicContact CG2-CD1 4.19Å; V28-F107 HydrophobicContact CG2-CD2 3.97Å; V28-F107 HydrophobicContact CG2-CE1 4.25Å; V28-F107 HydrophobicContact CG2-CE2 4.03Å; V28-F107 HydrophobicContact CG2-CG 4.07Å; V28-F107 HydrophobicContact CG2-CZ 4.19Å; I62-F107 HydrophobicContact CD1-CD1 4.16Å; I62-F107 HydrophobicContact CD1-CE1 4.43Å; W103-F107 HydrophobicContact CH2-CB 4.14Å; F107-G109 PolarHBondContact O-N 2.85Å; F107-G109 VanDerWaalsContact O-N 3.17Å; F107-R110 PolarHBondContact N-O 3.01Å; F107-R110 PolarHBondContact O-N 2.92Å; F107-R110 VanDerWaalsContact O-O 3.11Å; F107-A112 HydrophobicContact CB-CB 4.04Å
108	R	86.8	Confident	78.2	Confident	106 Å²	106	47 Å²	47	40%	0.4	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.7	45	-176.7	-65.1	-171.6	175.8	-174.6	0.6	113.3	G12 E24 R110	G12-R108 WeakPolarHBondContact O-CD 3.39Å; G12-R108 PolarHBondContact O-NH1 3.05Å; E24-R108 IonicContact OE2-CZ 2.75Å; E24-R108 IonicContact OE2-NH1 2.68Å; E24-R108 PolarHBondContact OE2-NH1 3.36Å; E24-R108 IonicContact OE2-NH2 2.71Å; E24-R108 PolarHBondContact OE2-NH2 2.73Å; R108-R110 VanDerWaalsContact C-N 3.3Å; R108-R110 PolarHBondContact O-N 2.72Å
109	G	84.6	Confident	81.3	Confident	72 Å²	72	45.3 Å²	45.3	74%	0.742	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.6	2.5	178.8	0	0	0	0	0	115.8	F107	F107-G109 PolarHBondContact O-N 2.85Å; F107-G109 VanDerWaalsContact O-N 3.17Å
110	R	87.3	Confident	84	Confident	56 Å²	56	42.4 Å²	42.4	21%	0.211	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	156.2	-179.7	-60.4	-175.9	-119.3	178.7	-3	111.5	I62 D63 V106 F107 R108	I62-R110 HydrophobicContact CG2-CB 4.21Å; D63-R110 WeakPolarHBondContact O-CD 3.36Å; D63-R110 PolarHBondContact O-NH1 2.98Å; V106-R110 CarbonylContact C-O 3.5Å; V106-R110 VanDerWaalsContact CA-O 3.31Å; V106-R110 WeakPolarHBondContact CA-O 3.48Å; F107-R110 PolarHBondContact N-O 3.01Å; F107-R110 PolarHBondContact O-N 2.92Å; F107-R110 VanDerWaalsContact O-O 3.11Å; R108-R110 VanDerWaalsContact C-N 3.3Å; R108-R110 PolarHBondContact O-N 2.72Å
111	F	89.6	Confident	86.7	Confident	47 Å²	47	40.7 Å²	40.7	21%	0.206	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	144.5	171.2	-71.4	-73.8	0	0	0	110.9	I62 D63 T72 L74 Q75 F104 G105 V106	I62-F111 WeakPolarHBondContact CA-O 3.19Å; D63-F111 PolarHBondContact N-O 3.12Å; T72-F111 HydrophobicContact CG2-CD2 3.67Å; T72-F111 HydrophobicContact CG2-CE2 3.91Å; L74-F111 HydrophobicContact CD2-CB 4.02Å; L74-F111 VanDerWaalsContact CD2-O 3.31Å; L74-F111 WeakPolarHBondContact CD2-O 3.33Å; Q75-F111 HydrophobicContact CG-CD1 4.06Å; Q75-F111 HydrophobicContact CG-CD2 3.73Å; Q75-F111 HydrophobicContact CG-CE1 4.03Å; Q75-F111 HydrophobicContact CG-CE2 3.71Å; Q75-F111 HydrophobicContact CG-CG 3.92Å; Q75-F111 HydrophobicContact CG-CZ 3.86Å; F104-F111 AromaticContact CE1-CD1 3.76Å; F104-F111 HydrophobicContact CE1-CD1 3.76Å; F104-F111 HydrophobicContact CE1-CE1 4.13Å; F104-F111 HydrophobicContact CE2-CB 4.02Å; F104-F111 HydrophobicContact CE2-CD1 4.19Å; F104-F111 HydrophobicContact CE2-CG 4.4Å; F104-F111 HydrophobicContact CZ-CB 3.94Å; F104-F111 AromaticContact CZ-CD1 3.4Å; F104-F111 HydrophobicContact CZ-CD1 3.4Å; F104-F111 VanDerWaalsContact CZ-CD1 3.4Å; F104-F111 HydrophobicContact CZ-CE1 4.14Å; F104-F111 AromaticContact CZ-CG 3.82Å; F104-F111 HydrophobicContact CZ-CG 3.82Å; G105-F111 CarbonylContact O-C 3.46Å; G105-F111 WeakPolarHBondContact O-CA 3.38Å; V106-F111 HydrophobicContact CG2-CD1 4.1Å; V106-F111 HydrophobicContact CG2-CE1 3.75Å; V106-F111 HydrophobicContact CG2-CZ 4.28Å
112	A	91.1	Very high	88.8	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.7	176	0	0	0	0	0	110.3	V28 I60 K61 I62 W103 F104 G105 F107	V28-A112 HydrophobicContact CG1-CB 4.12Å; I60-A112 HydrophobicContact CG2-CB 4.29Å; K61-A112 CarbonylContact O-C 3.34Å; K61-A112 VanDerWaalsContact O-CA 3.27Å; K61-A112 WeakPolarHBondContact O-CA 3.1Å; I62-A112 HydrophobicContact CG1-CB 3.94Å; I62-A112 HydrophobicContact CG2-CB 4.49Å; W103-A112 HydrophobicContact CH2-CB 4.45Å; W103-A112 HydrophobicContact CZ3-CB 3.71Å; F104-A112 WeakPolarHBondContact CA-O 3.43Å; F104-A112 WeakPolarHBondContact CD2-O 3.29Å; G105-A112 PolarHBondContact N-O 3.04Å; G105-A112 VanDerWaalsContact N-O 3.12Å; G105-A112 PolarHBondContact O-N 3.46Å; F107-A112 HydrophobicContact CB-CB 4.04Å
113	L	90.8	Very high	90.5	Very high	0 Å²	0	38 Å²	38	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	117.2	-174.5	178.4	62.9	0	0	0	109.6	I60 K61 L74 H78 Y81 Y101 F104 M115	I60-L113 WeakPolarHBondContact CA-O 3.36Å; K61-L113 PolarHBondContact N-O 3.37Å; K61-L113 PolarHBondContact O-N 2.78Å; L74-L113 HydrophobicContact CD1-CB 3.88Å; L74-L113 HydrophobicContact CD1-CD2 3.98Å; L74-L113 HydrophobicContact CD2-CB 4.13Å; L74-L113 HydrophobicContact CG-CB 4.1Å; H78-L113 HydrophobicContact CB-CD1 4.22Å; H78-L113 HydrophobicContact CB-CD2 4.49Å; Y81-L113 HydrophobicContact CD2-CD2 3.88Å; Y81-L113 HydrophobicContact CE2-CD2 4Å; Y101-L113 HydrophobicContact CD1-CD1 3.86Å; Y101-L113 HydrophobicContact CG-CD1 3.93Å; F104-L113 HydrophobicContact CB-CD1 4.14Å; F104-L113 HydrophobicContact CD2-CB 4Å; F104-L113 HydrophobicContact CD2-CD1 3.86Å; F104-L113 HydrophobicContact CG-CD1 4.42Å; L113-M115 HydrophobicContact CB-CE 4.25Å; L113-M115 HydrophobicContact CD2-CE 3.48Å; L113-M115 VanDerWaalsContact CD2-CE 3.48Å; L113-M115 HydrophobicContact CG-CE 3.68Å
114	V	91.2	Very high	91.2	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	126.4	177.2	-172.2	0	0	0	0	110.4	V58 A59 I60 Y101 R102 W103	V58-V114 HydrophobicContact CB-CG1 3.95Å; V58-V114 HydrophobicContact CG1-CG1 4.25Å; V58-V114 HydrophobicContact CG2-CG1 3.88Å; A59-V114 WeakPolarHBondContact O-CA 3.38Å; I60-V114 HydrophobicContact CD1-CG2 3.98Å; I60-V114 HydrophobicContact CG1-CB 4.48Å; I60-V114 HydrophobicContact CG1-CG1 4.22Å; I60-V114 HydrophobicContact CG1-CG2 4.01Å; I60-V114 HydrophobicContact CG2-CG2 4.35Å; Y101-V114 CarbonylContact C-O 3.47Å; Y101-V114 WeakPolarHBondContact CA-O 3.38Å; R102-V114 HydrophobicContact CB-CB 3.95Å; R102-V114 HydrophobicContact CB-CG1 3.67Å; R102-V114 HydrophobicContact CG-CG1 4.18Å; R102-V114 PolarHBondContact N-O 2.79Å; R102-V114 VanDerWaalsContact N-O 3.09Å; W103-V114 HydrophobicContact CB-CG2 4.09Å; W103-V114 HydrophobicContact CE3-CG2 4.12Å; W103-V114 PolarHBondContact O-N 3.44Å
115	M	89.5	Confident	91.6	Very high	26 Å²	26	37.8 Å²	37.8	13%	0.128	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	169.6	-174.7	64.2	-172.5	71.4	0	0	112.5	V58 A59 K61 Y81 L113 L117	V58-M115 WeakPolarHBondContact CB-O 3.45Å; V58-M115 VanDerWaalsContact CG1-O 3.29Å; V58-M115 WeakPolarHBondContact CG1-O 3.31Å; A59-M115 HydrophobicContact CB-CG 3.82Å; A59-M115 PolarHBondContact N-O 3.46Å; A59-M115 PolarHBondContact O-N 2.91Å; K61-M115 HydrophobicContact CB-CE 3.86Å; Y81-M115 HydrophobicContact CE2-CE 4.43Å; L113-M115 HydrophobicContact CB-CE 4.25Å; L113-M115 HydrophobicContact CD2-CE 3.48Å; L113-M115 VanDerWaalsContact CD2-CE 3.48Å; L113-M115 HydrophobicContact CG-CE 3.68Å; M115-L117 PolarHBondContact O-N 3.38Å
116	E	89.8	Confident	91.9	Very high	31 Å²	31	38 Å²	38	15%	0.145	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	130.9	174.2	-176.7	171.3	-142.4	0	0	109.5	P91 R92 L118 R174 Y179	P91-E116 HydrophobicContact CB-CB 4.12Å; R92-E116 PolarHBondContact N-OE2 3.23Å; E116-L118 HydrophobicContact CG-CD2 4.19Å; E116-R174 IonicContact OE1-NH1 3.69Å; E116-R174 PolarHBondContact OE1-NH1 3.28Å; E116-R174 IonicContact OE2-NH1 2.73Å; E116-Y179 PolarHBondContact OE2-OH 2.71Å
117	L	93	Very high	92.2	Very high	19 Å²	19	39.2 Å²	39.2	10%	0.099	20%	0.204	C	C	.	.			trans	-71.4	130.5	169.2	-175.7	66.6	0	0	0	108.3	I38 E48 N57 A59 M115 L171	I38-L117 HydrophobicContact CD1-CD1 3.63Å; E48-L117 HydrophobicContact CG-CD1 4.49Å; E48-L117 HydrophobicContact CG-CD2 4.03Å; N57-L117 HydrophobicContact CB-CD2 3.68Å; A59-L117 HydrophobicContact CB-CD1 4.03Å; M115-L117 PolarHBondContact O-N 3.38Å; L117-L171 HydrophobicContact CB-CD1 4.13Å; L117-L171 HydrophobicContact CD2-CD1 4.08Å; L117-L171 HydrophobicContact CG-CD1 3.97Å; L117-L171 VanDerWaalsContact O-CD1 3.26Å; L117-L171 WeakPolarHBondContact O-CD1 3.38Å
118	L	94.2	Very high	92.6	Very high	24 Å²	24	42.1 Å²	42.1	13%	0.126	23%	0.228	C	C	.	.			trans	-112.5	171.1	175.6	-58.9	175.4	0	0	0	109.8	P91 E116 L168 Y179 T181	P91-L118 HydrophobicContact CB-CD1 4.37Å; P91-L118 HydrophobicContact CG-CD1 3.79Å; E116-L118 HydrophobicContact CG-CD2 4.19Å; L118-L168 HydrophobicContact CB-CB 3.92Å; L118-L168 HydrophobicContact CB-CD2 3.88Å; L118-L168 HydrophobicContact CD1-CB 3.72Å; L118-L168 HydrophobicContact CD1-CD2 4.13Å; L118-L168 HydrophobicContact CD1-CG 4.47Å; L118-L168 HydrophobicContact CG-CB 4.49Å; L118-Y179 HydrophobicContact CD1-CD2 4.44Å; L118-Y179 HydrophobicContact CD1-CG 4.2Å; L118-Y179 HydrophobicContact CD2-CD1 4.49Å; L118-Y179 HydrophobicContact CD2-CD2 3.55Å; L118-Y179 HydrophobicContact CD2-CE2 3.74Å; L118-Y179 HydrophobicContact CD2-CG 3.93Å; L118-T181 HydrophobicContact CD1-CG2 3.61Å
119	D	95.1	Very high	92.9	Very high	79 Å²	79	39.5 Å²	39.5	42%	0.422	23%	0.225	S	C	.	.			trans	-89.6	-164.8	175.8	-148	-32.8	0	0	0	110.3	M169 L171	D119-M169 HydrophobicContact CB-CB 4.19Å; D119-M169 WeakPolarHBondContact CB-O 3.43Å; D119-M169 PolarHBondContact N-O 3.37Å; D119-L171 HydrophobicContact CB-CD2 3.74Å; D119-L171 HydrophobicContact CB-CG 4.41Å
120	T	95.2	Very high	93.2	Very high	48 Å²	48	42.2 Å²	42.2	29%	0.294	23%	0.231	S	C	.	.			trans	-55.7	149.9	-178.4	-166.4	0	0	0	0	113.8	D124 L125 M169	T120-D124 WeakPolarHBondContact OG1-CB 3.44Å; T120-L125 HydrophobicContact CG2-CD1 3.77Å; T120-L125 HydrophobicContact CG2-CD2 3.52Å; T120-L125 HydrophobicContact CG2-CG 3.42Å; T120-L125 VanDerWaalsContact CG2-CG 3.42Å; T120-M169 PolarHBondContact O-N 3.01Å
121	N	96.7	Very high	93.4	Very high	29 Å²	29	40.4 Å²	40.4	16%	0.155	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-81.8	165.3	175.2	64.9	67.9	0	0	0	111.8	E123 D124 L125 E165 F167 L168	N121-E123 VanDerWaalsContact C-N 3.3Å; N121-E123 PolarHBondContact O-N 3.3Å; N121-E123 WeakPolarHBondContact OD1-CA 3.46Å; N121-E123 WeakPolarHBondContact OD1-CB 3.48Å; N121-E123 PolarHBondContact OD1-N 2.91Å; N121-D124 PolarHBondContact ND2-OD2 3.05Å; N121-D124 PolarHBondContact O-N 3.44Å; N121-D124 PolarHBondContact OD1-N 2.91Å; N121-L125 PolarHBondContact O-N 2.81Å; N121-L125 VanDerWaalsContact O-N 3.13Å; N121-E165 WeakPolarHBondContact CB-O 3.42Å; N121-F167 CarbonylContact C-O 3.45Å; N121-F167 VanDerWaalsContact CA-O 3.24Å; N121-F167 WeakPolarHBondContact CA-O 3.44Å; N121-L168 HydrophobicContact CB-CD1 4.16Å; N121-L168 HydrophobicContact CB-CG 4.01Å
122	L	97.5	Very high	93.7	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	25%	0.248	C	C	.	.	H	α-helix	trans	-69.5	-23.8	-177.6	-62.9	-173.5	0	0	0	113.5	L125 R126 L141 M145 P164 F167 M169 V178 F239	L122-L125 HydrophobicContact CD2-CD1 3.96Å; L122-R126 VanDerWaalsContact O-CB 3.27Å; L122-R126 WeakPolarHBondContact O-CB 3.36Å; L122-R126 PolarHBondContact O-N 2.86Å; L122-L141 HydrophobicContact CD1-CD1 4.42Å; L122-L141 HydrophobicContact CD1-CD2 4.12Å; L122-L141 HydrophobicContact CD2-CD1 4.34Å; L122-L141 HydrophobicContact CD2-CD2 3.78Å; L122-M145 HydrophobicContact CD1-CE 4.32Å; L122-M145 HydrophobicContact CD1-CG 4.4Å; L122-M145 HydrophobicContact CD1-SD 3.8Å; L122-P164 HydrophobicContact CB-CB 4.16Å; L122-P164 PolarHBondContact N-O 2.89Å; L122-F167 HydrophobicContact CB-CB 4.46Å; L122-F167 HydrophobicContact CD1-CB 3.56Å; L122-F167 HydrophobicContact CD1-CG 4.27Å; L122-F167 HydrophobicContact CG-CB 3.75Å; L122-F167 WeakPolarHBondContact CG-O 3.47Å; L122-F167 PolarHBondContact N-O 2.77Å; L122-M169 HydrophobicContact CD2-CG 4.47Å; L122-M169 HydrophobicContact CD2-SD 3.76Å; L122-V178 HydrophobicContact CD1-CG1 4.44Å; L122-F239 HydrophobicContact CB-CE2 4.45Å; L122-F239 HydrophobicContact CB-CZ 3.74Å; L122-F239 HydrophobicContact CD1-CE2 3.95Å; L122-F239 HydrophobicContact CD1-CZ 3.99Å
123	E	95.9	Very high	93.9	Very high	7 Å²	7	46 Å²	46	3%	0.033	25%	0.251	C	S	.	.	H	α-helix	trans	-67.2	-45.4	174.5	179.6	57	-171.7	0	0	111.1	N121 R126 K127 P164 E165	N121-E123 VanDerWaalsContact C-N 3.3Å; N121-E123 PolarHBondContact O-N 3.3Å; N121-E123 WeakPolarHBondContact OD1-CA 3.46Å; N121-E123 WeakPolarHBondContact OD1-CB 3.48Å; N121-E123 PolarHBondContact OD1-N 2.91Å; E123-R126 WeakPolarHBondContact O-CB 3.32Å; E123-R126 PolarHBondContact O-N 3.35Å; E123-R126 IonicContact OE1-CZ 2.89Å; E123-R126 IonicContact OE1-NE 3.4Å; E123-R126 IonicContact OE1-NH2 3.26Å; E123-R126 PolarHBondContact OE1-NH2 2.93Å; E123-R126 IonicContact OE2-CZ 3.5Å; E123-R126 IonicContact OE2-NE 3.26Å; E123-R126 PolarHBondContact OE2-NE 3.04Å; E123-R126 IonicContact OE2-NH2 3.31Å; E123-R126 PolarHBondContact OE2-NH2 2.84Å; E123-K127 HydrophobicContact CG-CD 4.44Å; E123-K127 WeakPolarHBondContact O-CG 3.03Å; E123-K127 PolarHBondContact O-N 3.41Å; E123-K127 WeakPolarHBondContact OE1-CE 3.28Å; E123-K127 IonicContact OE1-NZ 2.81Å; E123-P164 HydrophobicContact CB-CB 3.92Å; E123-E165 HydrophobicContact CB-CG 3.94Å; E123-E165 HydrophobicContact CG-CG 4.34Å
124	D	95.8	Very high	94.1	Very high	68 Å²	68	49.9 Å²	49.9	36%	0.364	28%	0.276	S	S	.	.	H	α-helix	trans	-70.2	-35.6	-179.9	-67.6	-26.1	0	0	0	111.6	T120 N121 R126 K127 S128	T120-D124 WeakPolarHBondContact OG1-CB 3.44Å; N121-D124 PolarHBondContact ND2-OD2 3.05Å; N121-D124 PolarHBondContact O-N 3.44Å; N121-D124 PolarHBondContact OD1-N 2.91Å; D124-R126 VanDerWaalsContact C-N 3.33Å; D124-K127 PolarHBondContact O-N 3Å; D124-K127 IonicContact OD1-NZ 3.5Å; D124-K127 PolarHBondContact OD1-NZ 3.25Å; D124-S128 PolarHBondContact O-N 3.08Å; D124-S128 PolarHBondContact O-OG 3.22Å
125	L	96	Very high	94.4	Very high	48 Å²	48	54.2 Å²	54.2	25%	0.251	30%	0.298	S	S	.	.	H	α-helix	trans	-62.6	-39	169	-74.9	171	0	0	0	112.8	T120 N121 L122 S128 S129 F133 M169	T120-L125 HydrophobicContact CG2-CD1 3.77Å; T120-L125 HydrophobicContact CG2-CD2 3.52Å; T120-L125 HydrophobicContact CG2-CG 3.42Å; T120-L125 VanDerWaalsContact CG2-CG 3.42Å; N121-L125 PolarHBondContact O-N 2.81Å; N121-L125 VanDerWaalsContact O-N 3.13Å; L122-L125 HydrophobicContact CD2-CD1 3.96Å; L125-S128 WeakPolarHBondContact CA-OG 3.35Å; L125-S128 PolarHBondContact O-N 3.37Å; L125-S128 PolarHBondContact O-OG 3.26Å; L125-S129 WeakPolarHBondContact O-CB 3.14Å; L125-S129 PolarHBondContact O-N 3.35Å; L125-S129 PolarHBondContact O-OG 3.12Å; L125-F133 HydrophobicContact CB-CE1 4.25Å; L125-F133 HydrophobicContact CB-CZ 3.87Å; L125-M169 HydrophobicContact CD1-CG 3.49Å; L125-M169 VanDerWaalsContact CD1-CG 3.49Å; L125-M169 HydrophobicContact CD1-SD 4.21Å
126	R	95.2	Very high	94.8	Very high	18 Å²	18	56.9 Å²	56.9	7%	0.068	32%	0.317	C	S	.	.	H	α-helix	trans	-66.4	-44.5	177.5	-174.7	-168.9	70.4	84	-0.2	110.5	L122 E123 D124 S128 S129 G131 F133 F239 G242	L122-R126 VanDerWaalsContact O-CB 3.27Å; L122-R126 WeakPolarHBondContact O-CB 3.36Å; L122-R126 PolarHBondContact O-N 2.86Å; E123-R126 WeakPolarHBondContact O-CB 3.32Å; E123-R126 PolarHBondContact O-N 3.35Å; E123-R126 IonicContact OE1-CZ 2.89Å; E123-R126 IonicContact OE1-NE 3.4Å; E123-R126 IonicContact OE1-NH2 3.26Å; E123-R126 PolarHBondContact OE1-NH2 2.93Å; E123-R126 IonicContact OE2-CZ 3.5Å; E123-R126 IonicContact OE2-NE 3.26Å; E123-R126 PolarHBondContact OE2-NE 3.04Å; E123-R126 IonicContact OE2-NH2 3.31Å; E123-R126 PolarHBondContact OE2-NH2 2.84Å; D124-R126 VanDerWaalsContact C-N 3.33Å; R126-S128 PolarHBondContact O-N 3.22Å; R126-S129 CarbonylContact O-C 3.57Å; R126-S129 PolarHBondContact O-N 3.17Å; R126-S129 VanDerWaalsContact O-N 3.13Å; R126-G131 WeakPolarHBondContact CG-O 3.3Å; R126-G131 PolarHBondContact NH1-O 2.76Å; R126-G131 VanDerWaalsContact O-CA 3.26Å; R126-G131 WeakPolarHBondContact O-CA 3.32Å; R126-G131 PolarHBondContact O-N 3.03Å; R126-F133 VanDerWaalsContact CA-CZ 3.42Å; R126-F133 HydrophobicContact CB-CE1 4.34Å; R126-F133 HydrophobicContact CB-CE2 3.92Å; R126-F133 HydrophobicContact CB-CZ 3.71Å; R126-F133 HydrophobicContact CG-CE2 4.36Å; R126-F133 HydrophobicContact CG-CZ 4.45Å; R126-F133 VanDerWaalsContact N-CZ 3.33Å; R126-F239 HydrophobicContact CG-CD1 4.38Å; R126-G242 PolarHBondContact NH1-O 3.36Å
127	K	94.5	Very high	95.1	Very high	117 Å²	117	58.3 Å²	58.3	51%	0.509	33%	0.328	S	S	.	.	H	α-helix	trans	-59.9	-43.7	175.4	-71.9	171.2	-170.7	154.5	0	111.8	E123 D124 S129 C130	E123-K127 HydrophobicContact CG-CD 4.44Å; E123-K127 WeakPolarHBondContact O-CG 3.03Å; E123-K127 PolarHBondContact O-N 3.41Å; E123-K127 WeakPolarHBondContact OE1-CE 3.28Å; E123-K127 IonicContact OE1-NZ 2.81Å; D124-K127 PolarHBondContact O-N 3Å; D124-K127 IonicContact OD1-NZ 3.5Å; D124-K127 PolarHBondContact OD1-NZ 3.25Å; K127-S129 PolarHBondContact O-N 2.87Å; K127-C130 PolarHBondContact O-N 2.86Å
128	S	94.6	Very high	95.3	Very high	89 Å²	89	57.8 Å²	57.8	62%	0.622	33%	0.326	S	S	*	.	H	α-helix	trans	-69.2	-19.9	176.8	67.3	0	0	0	0	113.4	D124 L125 R126 C130	D124-S128 PolarHBondContact O-N 3.08Å; D124-S128 PolarHBondContact O-OG 3.22Å; L125-S128 WeakPolarHBondContact CA-OG 3.35Å; L125-S128 PolarHBondContact O-N 3.37Å; L125-S128 PolarHBondContact O-OG 3.26Å; R126-S128 PolarHBondContact O-N 3.22Å; S128-C130 VanDerWaalsContact C-N 3.33Å; S128-C130 PolarHBondContact O-N 3.29Å
129	S	92.5	Very high	95.4	Very high	50 Å²	50	60.7 Å²	60.7	35%	0.35	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.9	33.5	175.2	-55.3	0	0	0	0	113.2	L125 R126 K127 G131 R132 F133	L125-S129 WeakPolarHBondContact O-CB 3.14Å; L125-S129 PolarHBondContact O-N 3.35Å; L125-S129 PolarHBondContact O-OG 3.12Å; R126-S129 CarbonylContact O-C 3.57Å; R126-S129 PolarHBondContact O-N 3.17Å; R126-S129 VanDerWaalsContact O-N 3.13Å; K127-S129 PolarHBondContact O-N 2.87Å; S129-G131 PolarHBondContact O-N 3.12Å; S129-R132 PolarHBondContact O-N 2.69Å; S129-F133 WeakPolarHBondContact OG-CE1 3.49Å
130	C	91.5	Very high	95.5	Very high	129 Å²	129	62.4 Å²	62.4	87%	0.872	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	30	-178.4	-56.5	0	0	0	0	114.1	K127 S128 R132	K127-C130 PolarHBondContact O-N 2.86Å; S128-C130 VanDerWaalsContact C-N 3.33Å; S128-C130 PolarHBondContact O-N 3.29Å; C130-R132 PolarHBondContact O-N 3.26Å
131	G	92.5	Very high	95.7	Very high	18 Å²	18	60.8 Å²	60.8	19%	0.186	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.2	-2.8	173.3	0	0	0	0	0	115.7	R126 S129 G242	R126-G131 WeakPolarHBondContact CG-O 3.3Å; R126-G131 PolarHBondContact NH1-O 2.76Å; R126-G131 VanDerWaalsContact O-CA 3.26Å; R126-G131 WeakPolarHBondContact O-CA 3.32Å; R126-G131 PolarHBondContact O-N 3.03Å; S129-G131 PolarHBondContact O-N 3.12Å; G131-G242 WeakPolarHBondContact O-CA 3.33Å
132	R	94.3	Very high	95.8	Very high	155 Å²	155	60.4 Å²	60.4	59%	0.585	34%	0.336	S	S	*	.			trans	-150.9	159.7	177.1	66.4	-179.8	-175.9	129.1	0.1	112.3	S129 C130 F239	S129-R132 PolarHBondContact O-N 2.69Å; C130-R132 PolarHBondContact O-N 3.26Å; R132-F239 CarbonylContact C-O 3.58Å; R132-F239 WeakPolarHBondContact CA-O 3.23Å; R132-F239 WeakPolarHBondContact CB-O 3.26Å
133	F	96.3	Very high	95.8	Very high	11 Å²	11	66 Å²	66	5%	0.048	36%	0.362	C	S	.	.			trans	-104.8	147.2	173.6	-62.8	-50.3	0	0	0	111.7	L125 R126 S129 T137 L141 F239	L125-F133 HydrophobicContact CB-CE1 4.25Å; L125-F133 HydrophobicContact CB-CZ 3.87Å; R126-F133 VanDerWaalsContact CA-CZ 3.42Å; R126-F133 HydrophobicContact CB-CE1 4.34Å; R126-F133 HydrophobicContact CB-CE2 3.92Å; R126-F133 HydrophobicContact CB-CZ 3.71Å; R126-F133 HydrophobicContact CG-CE2 4.36Å; R126-F133 HydrophobicContact CG-CZ 4.45Å; R126-F133 VanDerWaalsContact N-CZ 3.33Å; S129-F133 WeakPolarHBondContact OG-CE1 3.49Å; F133-T137 HydrophobicContact CB-CG2 4.09Å; F133-T137 HydrophobicContact CD1-CG2 4.24Å; F133-T137 HydrophobicContact CG-CG2 4.11Å; F133-L141 HydrophobicContact CD2-CD1 3.77Å; F133-L141 HydrophobicContact CE2-CD1 3.71Å; F133-L141 HydrophobicContact CZ-CD1 4.43Å; F133-F239 HydrophobicContact CD2-CB 3.97Å; F133-F239 HydrophobicContact CD2-CD1 4.23Å; F133-F239 AromaticContact CD2-CD2 3.95Å; F133-F239 HydrophobicContact CD2-CD2 3.95Å; F133-F239 HydrophobicContact CD2-CE2 4.49Å; F133-F239 AromaticContact CD2-CG 3.8Å; F133-F239 HydrophobicContact CD2-CG 3.8Å; F133-F239 HydrophobicContact CE2-CD1 4.12Å; F133-F239 HydrophobicContact CE2-CD2 4.11Å; F133-F239 HydrophobicContact CE2-CE1 4.19Å; F133-F239 HydrophobicContact CE2-CE2 4.22Å; F133-F239 HydrophobicContact CE2-CG 4.06Å; F133-F239 HydrophobicContact CE2-CZ 4.25Å; F133-F239 PolarHBondContact N-O 3.34Å
134	P	95.7	Very high	95.9	Very high	81 Å²	81	67.5 Å²	67.5	53%	0.526	37%	0.369	S	S	.	.			trans	-58	148.2	165.1	-22.1	33.6	0	0	0	111.1	P136 T137 T138	P134-P136 VanDerWaalsContact C-N 3.35Å; P134-T137 WeakPolarHBondContact O-CB 3.41Å; P134-T137 PolarHBondContact O-N 2.83Å; P134-T138 PolarHBondContact O-N 2.94Å; P134-T138 PolarHBondContact O-OG1 3.11Å
135	L	96.3	Very high	96	Very high	91 Å²	91	64.2 Å²	64.2	48%	0.476	35%	0.352	S	S	.	.	H	α-helix	trans	-51.9	-43.7	-178	-179.5	63.7	0	0	0	113.8	T137 T138 I139	L135-T137 VanDerWaalsContact C-N 3.32Å; L135-T137 PolarHBondContact O-N 2.82Å; L135-T138 PolarHBondContact O-N 2.9Å; L135-I139 HydrophobicContact CD1-CD1 4.05Å; L135-I139 HydrophobicContact CD1-CG1 4.16Å; L135-I139 HydrophobicContact CG-CD1 3.9Å; L135-I139 HydrophobicContact CG-CG1 4.44Å; L135-I139 WeakPolarHBondContact O-CG1 3.26Å; L135-I139 PolarHBondContact O-N 2.67Å
136	P	97.1	Very high	96.2	Very high	81 Å²	81	66 Å²	66	53%	0.526	36%	0.361	S	S	.	.	H	α-helix	trans	-56.7	-44.4	175.5	-26.7	36	0	0	0	112.8	P134 I139 H140	P134-P136 VanDerWaalsContact C-N 3.35Å; P136-I139 PolarHBondContact O-N 2.79Å; P136-H140 PolarHBondContact O-N 3.21Å; P136-H140 VanDerWaalsContact O-N 3.08Å; P136-H140 PolarHBondContact O-ND1 2.86Å
137	T	96.6	Very high	96.3	Very high	62 Å²	62	67 Å²	67	38%	0.38	37%	0.371	S	S	.	.	H	α-helix	trans	-63.5	-44.7	177.5	-57	0	0	0	0	111.2	F133 P134 L135 I139 H140 L141	F133-T137 HydrophobicContact CB-CG2 4.09Å; F133-T137 HydrophobicContact CD1-CG2 4.24Å; F133-T137 HydrophobicContact CG-CG2 4.11Å; P134-T137 WeakPolarHBondContact O-CB 3.41Å; P134-T137 PolarHBondContact O-N 2.83Å; L135-T137 VanDerWaalsContact C-N 3.32Å; L135-T137 PolarHBondContact O-N 2.82Å; T137-I139 VanDerWaalsContact C-N 3.3Å; T137-I139 PolarHBondContact O-N 2.81Å; T137-H140 PolarHBondContact O-N 2.78Å; T137-L141 HydrophobicContact CG2-CD1 4.09Å; T137-L141 HydrophobicContact CG2-CG 4.45Å; T137-L141 WeakPolarHBondContact O-CG 3.43Å; T137-L141 PolarHBondContact O-N 2.83Å
138	T	97.4	Very high	96.4	Very high	8 Å²	8	61.4 Å²	61.4	5%	0.049	35%	0.347	C	S	.	.	H	α-helix	trans	-57.9	-42.2	176.7	-55.9	0	0	0	0	111.9	P134 L135 L141 A142 L236 F239	P134-T138 PolarHBondContact O-N 2.94Å; P134-T138 PolarHBondContact O-OG1 3.11Å; L135-T138 PolarHBondContact O-N 2.9Å; T138-L141 PolarHBondContact O-N 3.04Å; T138-A142 WeakPolarHBondContact O-CB 3.46Å; T138-A142 PolarHBondContact O-N 3.05Å; T138-L236 HydrophobicContact CG2-CD2 4.2Å; T138-F239 HydrophobicContact CG2-CB 4.13Å
139	I	97.8	Very high	96.6	Very high	84 Å²	84	57.2 Å²	57.2	43%	0.431	32%	0.317	S	S	.	.	H	α-helix	trans	-64.9	-45.6	177.9	-68.2	168.2	0	0	0	111.3	L135 P136 T137 L141 A142 Q143	L135-I139 HydrophobicContact CD1-CD1 4.05Å; L135-I139 HydrophobicContact CD1-CG1 4.16Å; L135-I139 HydrophobicContact CG-CD1 3.9Å; L135-I139 HydrophobicContact CG-CG1 4.44Å; L135-I139 WeakPolarHBondContact O-CG1 3.26Å; L135-I139 PolarHBondContact O-N 2.67Å; P136-I139 PolarHBondContact O-N 2.79Å; T137-I139 VanDerWaalsContact C-N 3.3Å; T137-I139 PolarHBondContact O-N 2.81Å; I139-L141 VanDerWaalsContact C-N 3.32Å; I139-L141 PolarHBondContact O-N 2.82Å; I139-A142 WeakPolarHBondContact O-CB 3.26Å; I139-A142 PolarHBondContact O-N 3Å; I139-Q143 WeakPolarHBondContact O-CG 3.08Å; I139-Q143 PolarHBondContact O-N 3.29Å; I139-Q143 VanDerWaalsContact O-N 3.07Å
140	H	97.2	Very high	96.9	Very high	115 Å²	115	59.8 Å²	59.8	53%	0.532	32%	0.324	S	S	.	.	H	α-helix	trans	-62.3	-40	178.3	-74.6	90.8	0	0	0	112.1	P136 T137 Q144	P136-H140 PolarHBondContact O-N 3.21Å; P136-H140 VanDerWaalsContact O-N 3.08Å; P136-H140 PolarHBondContact O-ND1 2.86Å; T137-H140 PolarHBondContact O-N 2.78Å; H140-Q144 PolarHBondContact O-N 2.97Å
141	L	98	Very high	97.2	Very high	15 Å²	15	55.4 Å²	55.4	8%	0.079	29%	0.29	C	S	.	.	H	α-helix	trans	-65.6	-45.7	174.4	-68.7	174.1	0	0	0	111	L122 F133 T137 T138 I139 Q143 Q144 M145 V178 F239	L122-L141 HydrophobicContact CD1-CD1 4.42Å; L122-L141 HydrophobicContact CD1-CD2 4.12Å; L122-L141 HydrophobicContact CD2-CD1 4.34Å; L122-L141 HydrophobicContact CD2-CD2 3.78Å; F133-L141 HydrophobicContact CD2-CD1 3.77Å; F133-L141 HydrophobicContact CE2-CD1 3.71Å; F133-L141 HydrophobicContact CZ-CD1 4.43Å; T137-L141 HydrophobicContact CG2-CD1 4.09Å; T137-L141 HydrophobicContact CG2-CG 4.45Å; T137-L141 WeakPolarHBondContact O-CG 3.43Å; T137-L141 PolarHBondContact O-N 2.83Å; T138-L141 PolarHBondContact O-N 3.04Å; I139-L141 VanDerWaalsContact C-N 3.32Å; I139-L141 PolarHBondContact O-N 2.82Å; L141-Q143 VanDerWaalsContact C-N 3.3Å; L141-Q143 PolarHBondContact O-N 3.18Å; L141-Q144 PolarHBondContact O-N 3.41Å; L141-Q144 VanDerWaalsContact O-N 3.16Å; L141-M145 HydrophobicContact CB-SD 4.22Å; L141-M145 WeakPolarHBondContact O-CB 3.35Å; L141-M145 WeakPolarHBondContact O-CG 3.32Å; L141-M145 PolarHBondContact O-N 3.31Å; L141-V178 HydrophobicContact CD2-CG2 3.77Å; L141-F239 HydrophobicContact CD1-CD2 4.29Å; L141-F239 HydrophobicContact CD1-CE2 4.15Å
142	A	98.4	Very high	97.4	Very high	21 Å²	21	54.6 Å²	54.6	17%	0.174	28%	0.281	C	S	.	.	H	α-helix	trans	-54.4	-45	178.9	0	0	0	0	0	112.3	T138 I139 Q144 M145 L146 L236	T138-A142 WeakPolarHBondContact O-CB 3.46Å; T138-A142 PolarHBondContact O-N 3.05Å; I139-A142 WeakPolarHBondContact O-CB 3.26Å; I139-A142 PolarHBondContact O-N 3Å; A142-Q144 PolarHBondContact O-N 2.96Å; A142-M145 PolarHBondContact O-N 2.9Å; A142-L146 WeakPolarHBondContact O-CB 3.43Å; A142-L146 PolarHBondContact O-N 3.44Å; A142-L236 HydrophobicContact CB-CD1 3.64Å; A142-L236 HydrophobicContact CB-CD2 3.59Å; A142-L236 HydrophobicContact CB-CG 4.27Å
143	Q	98.3	Very high	97.6	Very high	117 Å²	117	47.7 Å²	47.7	55%	0.547	26%	0.256	S	S	.	.	H	α-helix	trans	-60.6	-45	179.1	-72.7	176.6	-36.3	0	0	112.5	I139 L141 S147	I139-Q143 WeakPolarHBondContact O-CG 3.08Å; I139-Q143 PolarHBondContact O-N 3.29Å; I139-Q143 VanDerWaalsContact O-N 3.07Å; L141-Q143 VanDerWaalsContact C-N 3.3Å; L141-Q143 PolarHBondContact O-N 3.18Å; Q143-S147 WeakPolarHBondContact O-CB 3.46Å; Q143-S147 PolarHBondContact O-N 3.32Å; Q143-S147 VanDerWaalsContact O-N 3.11Å; Q143-S147 PolarHBondContact O-OG 3.46Å
144	Q	98.2	Very high	97.5	Very high	39 Å²	39	52.7 Å²	52.7	18%	0.182	28%	0.283	C	S	.	.	H	α-helix	trans	-70.7	-43.7	179.4	-64.9	-170.6	64.5	0	0	111.8	W89 H140 L141 A142 S147 A148 S176 V178	W89-Q144 HydrophobicContact CH2-CB 4.47Å; W89-Q144 HydrophobicContact CH2-CG 4.31Å; W89-Q144 HydrophobicContact CZ3-CB 3.92Å; W89-Q144 HydrophobicContact CZ3-CG 3.95Å; H140-Q144 PolarHBondContact O-N 2.97Å; L141-Q144 PolarHBondContact O-N 3.41Å; L141-Q144 VanDerWaalsContact O-N 3.16Å; A142-Q144 PolarHBondContact O-N 2.96Å; Q144-S147 PolarHBondContact O-N 3.1Å; Q144-A148 WeakPolarHBondContact O-CB 3.38Å; Q144-A148 PolarHBondContact O-N 2.86Å; Q144-S176 PolarHBondContact NE2-O 2.82Å; Q144-S176 PolarHBondContact OE1-O 3.46Å; Q144-V178 HydrophobicContact CB-CB 4.02Å; Q144-V178 HydrophobicContact CB-CG2 4.11Å
145	M	98.6	Very high	97.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-63.2	-43.1	179.1	-66.3	168	75.8	0	0	111.7	L122 L141 A142 A148 L149 F167 V178 L232 I235 F239	L122-M145 HydrophobicContact CD1-CE 4.32Å; L122-M145 HydrophobicContact CD1-CG 4.4Å; L122-M145 HydrophobicContact CD1-SD 3.8Å; L141-M145 HydrophobicContact CB-SD 4.22Å; L141-M145 WeakPolarHBondContact O-CB 3.35Å; L141-M145 WeakPolarHBondContact O-CG 3.32Å; L141-M145 PolarHBondContact O-N 3.31Å; A142-M145 PolarHBondContact O-N 2.9Å; M145-A148 WeakPolarHBondContact O-CB 3.43Å; M145-A148 PolarHBondContact O-N 3.44Å; M145-L149 WeakPolarHBondContact O-CG 3.4Å; M145-L149 PolarHBondContact O-N 3.09Å; M145-F167 HydrophobicContact CB-CD1 4.35Å; M145-F167 HydrophobicContact CB-CE1 3.82Å; M145-F167 HydrophobicContact CB-CZ 4.11Å; M145-F167 HydrophobicContact CE-CD1 4.32Å; M145-F167 HydrophobicContact CE-CD2 3.49Å; M145-F167 VanDerWaalsContact CE-CD2 3.49Å; M145-F167 HydrophobicContact CE-CE1 4.21Å; M145-F167 HydrophobicContact CE-CE2 3.38Å; M145-F167 HydrophobicContact CE-CG 3.97Å; M145-F167 HydrophobicContact CE-CZ 3.76Å; M145-F167 HydrophobicContact CG-CD1 3.74Å; M145-F167 HydrophobicContact CG-CE1 3.72Å; M145-F167 HydrophobicContact CG-CG 4.17Å; M145-F167 HydrophobicContact CG-CZ 4.16Å; M145-V178 HydrophobicContact CG-CG1 4.38Å; M145-L232 HydrophobicContact CB-CD1 3.79Å; M145-L232 HydrophobicContact CE-CD1 3.38Å; M145-L232 HydrophobicContact SD-CD1 4.02Å; M145-I235 HydrophobicContact CE-CD1 4.22Å; M145-I235 HydrophobicContact CE-CG2 3.79Å; M145-F239 HydrophobicContact CE-CE2 4.36Å; M145-F239 HydrophobicContact SD-CE2 4.08Å
146	L	98.4	Very high	97.5	Very high	85 Å²	85	49.2 Å²	49.2	45%	0.445	25%	0.254	S	S	.	.	H	α-helix	trans	-61.5	-46.5	175.3	-179	62.2	0	0	0	111.1	A142 A148 L149 E150 L229 L232	A142-L146 WeakPolarHBondContact O-CB 3.43Å; A142-L146 PolarHBondContact O-N 3.44Å; L146-A148 VanDerWaalsContact C-N 3.26Å; L146-A148 PolarHBondContact O-N 3.35Å; L146-L149 PolarHBondContact O-N 2.84Å; L146-E150 WeakPolarHBondContact O-CB 3.36Å; L146-E150 PolarHBondContact O-N 3.18Å; L146-L229 HydrophobicContact CD1-CD2 3.62Å; L146-L232 HydrophobicContact CB-CD2 4.16Å; L146-L232 HydrophobicContact CD1-CD2 4.28Å
147	S	98.1	Very high	97.5	Very high	39 Å²	39	45.9 Å²	45.9	27%	0.273	23%	0.231	S	C	.	.	H	α-helix	trans	-61.9	-34.9	177.7	-57.8	0	0	0	0	112.3	W89 Q143 Q144 F151	W89-S147 VanDerWaalsContact CD1-O 3.31Å; W89-S147 PolarHBondContact NE1-O 3.34Å; Q143-S147 WeakPolarHBondContact O-CB 3.46Å; Q143-S147 PolarHBondContact O-N 3.32Å; Q143-S147 VanDerWaalsContact O-N 3.11Å; Q143-S147 PolarHBondContact O-OG 3.46Å; Q144-S147 PolarHBondContact O-N 3.1Å; S147-F151 WeakPolarHBondContact O-CB 3.36Å; S147-F151 PolarHBondContact O-N 3.43Å; S147-F151 VanDerWaalsContact O-N 3.1Å
148	A	97.7	Very high	97.5	Very high	0 Å²	0	43 Å²	43	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-66	-47.9	175.2	0	0	0	0	0	111.9	W89 Q144 M145 L146 F151 V152 L180	W89-A148 HydrophobicContact CB-CB 3.54Å; W89-A148 HydrophobicContact CD2-CB 4.42Å; W89-A148 HydrophobicContact CG-CB 3.86Å; Q144-A148 WeakPolarHBondContact O-CB 3.38Å; Q144-A148 PolarHBondContact O-N 2.86Å; M145-A148 WeakPolarHBondContact O-CB 3.43Å; M145-A148 PolarHBondContact O-N 3.44Å; L146-A148 VanDerWaalsContact C-N 3.26Å; L146-A148 PolarHBondContact O-N 3.35Å; A148-F151 WeakPolarHBondContact O-CB 3.5Å; A148-F151 PolarHBondContact O-N 3.05Å; A148-V152 WeakPolarHBondContact O-CG2 3.47Å; A148-V152 PolarHBondContact O-N 3.41Å; A148-L180 HydrophobicContact CB-CB 4.1Å; A148-L180 HydrophobicContact CB-CD2 4.39Å
149	L	98.5	Very high	97.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-44.1	177.4	-69.4	175.1	0	0	0	111.6	M145 L146 F151 V152 H153 H159 V162 L180 D228 L229 L232	M145-L149 WeakPolarHBondContact O-CG 3.4Å; M145-L149 PolarHBondContact O-N 3.09Å; L146-L149 PolarHBondContact O-N 2.84Å; L149-F151 VanDerWaalsContact C-N 3.28Å; L149-F151 PolarHBondContact O-N 3.02Å; L149-V152 PolarHBondContact O-N 3.22Å; L149-V152 VanDerWaalsContact O-N 3.09Å; L149-H153 WeakPolarHBondContact O-CB 3.3Å; L149-H153 PolarHBondContact O-CD2 3.14Å; L149-H153 VanDerWaalsContact O-CD2 3.3Å; L149-H153 PolarHBondContact O-N 3.45Å; L149-H159 HydrophobicContact CD2-CB 4.3Å; L149-V162 HydrophobicContact CD1-CG1 4.33Å; L149-V162 HydrophobicContact CD2-CG2 3.85Å; L149-L180 HydrophobicContact CD2-CD2 3.88Å; L149-D228 HydrophobicContact CD1-CB 4.39Å; L149-D228 HydrophobicContact CD2-CB 4.26Å; L149-L229 HydrophobicContact CD1-CD2 4.41Å; L149-L232 HydrophobicContact CD1-CB 4.05Å; L149-L232 HydrophobicContact CD1-CD2 3.98Å; L149-L232 HydrophobicContact CD1-CG 4.5Å
150	E	98	Very high	97.5	Very high	105 Å²	105	40.9 Å²	40.9	49%	0.491	20%	0.199	S	C	.	.	H	α-helix	trans	-55.8	-44	175.6	-176.7	-175.3	-171.5	0	0	111.3	L146 V152 H153 N154	L146-E150 WeakPolarHBondContact O-CB 3.36Å; L146-E150 PolarHBondContact O-N 3.18Å; E150-V152 PolarHBondContact O-N 3.26Å; E150-H153 PolarHBondContact O-N 3.34Å; E150-N154 WeakPolarHBondContact O-CB 3.42Å; E150-N154 PolarHBondContact O-N 3.13Å; E150-N154 PolarHBondContact O-ND2 2.91Å
151	F	97.2	Very high	97.4	Very high	37 Å²	37	35.6 Å²	35.6	16%	0.162	18%	0.175	C	C	.	.	H	α-helix	trans	-59.6	-45.4	176	173.2	-95	0	0	0	112.4	L84 G87 I90 S147 A148 L149 N154 R155	L84-F151 HydrophobicContact CB-CE1 4.23Å; L84-F151 HydrophobicContact CD2-CE1 4.11Å; G87-F151 VanDerWaalsContact CA-CE1 3.48Å; I90-F151 HydrophobicContact CD1-CD1 4.26Å; I90-F151 HydrophobicContact CD1-CE1 4.36Å; I90-F151 HydrophobicContact CG1-CD1 3.9Å; I90-F151 HydrophobicContact CG1-CE1 3.63Å; S147-F151 WeakPolarHBondContact O-CB 3.36Å; S147-F151 PolarHBondContact O-N 3.43Å; S147-F151 VanDerWaalsContact O-N 3.1Å; A148-F151 WeakPolarHBondContact O-CB 3.5Å; A148-F151 PolarHBondContact O-N 3.05Å; L149-F151 VanDerWaalsContact C-N 3.28Å; L149-F151 PolarHBondContact O-N 3.02Å; F151-N154 PolarHBondContact O-N 3.08Å; F151-R155 HydrophobicContact CE1-CG 4.35Å; F151-R155 HydrophobicContact CE2-CG 4.48Å; F151-R155 HydrophobicContact CZ-CG 4.13Å; F151-R155 WeakPolarHBondContact O-CG 3.49Å; F151-R155 PolarHBondContact O-N 3.39Å
152	V	97.5	Very high	97.4	Very high	0 Å²	0	35 Å²	35	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-64.2	-44.2	178.5	175	0	0	0	0	110.8	L84 I90 A148 L149 E150 N154 R155 G156 F157 L180 F183	L84-V152 HydrophobicContact CD1-CG2 4.09Å; L84-V152 HydrophobicContact CD2-CG1 4.47Å; L84-V152 HydrophobicContact CD2-CG2 4.35Å; I90-V152 HydrophobicContact CD1-CG2 4.18Å; A148-V152 WeakPolarHBondContact O-CG2 3.47Å; A148-V152 PolarHBondContact O-N 3.41Å; L149-V152 PolarHBondContact O-N 3.22Å; L149-V152 VanDerWaalsContact O-N 3.09Å; E150-V152 PolarHBondContact O-N 3.26Å; V152-N154 VanDerWaalsContact C-N 3.35Å; V152-N154 PolarHBondContact O-N 3.47Å; V152-R155 CarbonylContact O-C 3.59Å; V152-R155 WeakPolarHBondContact O-CA 3.33Å; V152-R155 WeakPolarHBondContact O-CB 3.44Å; V152-R155 PolarHBondContact O-N 2.92Å; V152-G156 PolarHBondContact O-N 3.01Å; V152-F157 CarbonylContact C-O 3.56Å; V152-F157 HydrophobicContact CG1-CB 3.82Å; V152-F157 PolarHBondContact O-N 3.27Å; V152-L180 HydrophobicContact CG2-CD2 3.96Å; V152-F183 HydrophobicContact CG1-CE1 4.31Å; V152-F183 HydrophobicContact CG2-CE1 3.84Å; V152-F183 HydrophobicContact CG2-CZ 4.27Å
153	H	97.5	Very high	97.3	Very high	11 Å²	11	35.6 Å²	35.6	5%	0.051	17%	0.171	C	C	.	.	H	α-helix	trans	-60.3	-43.7	177.5	-67.9	-179	0	0	0	111.8	L149 E150 R155 G156 F157 W189 R225 D228	L149-H153 WeakPolarHBondContact O-CB 3.3Å; L149-H153 PolarHBondContact O-CD2 3.14Å; L149-H153 VanDerWaalsContact O-CD2 3.3Å; L149-H153 PolarHBondContact O-N 3.45Å; E150-H153 PolarHBondContact O-N 3.34Å; H153-R155 PolarHBondContact O-N 2.96Å; H153-G156 WeakPolarHBondContact O-CA 3.13Å; H153-G156 PolarHBondContact O-N 3.02Å; H153-F157 VanDerWaalsContact CA-O 3.29Å; H153-F157 WeakPolarHBondContact CA-O 3.46Å; H153-F157 PolarHBondContact CD2-O 2.93Å; H153-F157 VanDerWaalsContact CD2-O 3.3Å; H153-F157 PolarHBondContact N-O 2.92Å; H153-W189 PolarHBondContact O-NE1 2.91Å; H153-R225 HydrophobicContact CB-CG 4.04Å; H153-R225 PolarHBondContact CE1-O 3.28Å; H153-D228 IonicContact CD2-OD2 3.39Å; H153-D228 IonicContact CE1-OD2 2.77Å; H153-D228 IonicContact NE2-OD2 3.19Å; H153-D228 PolarHBondContact NE2-OD2 3.46Å
154	N	95.4	Very high	97.3	Very high	115 Å²	115	30 Å²	30	62%	0.615	15%	0.145	S	C	*	.	H	α-helix	trans	-66.4	-20	176.9	-73.7	-21.1	0	0	0	113	E150 F151 V152 G156	E150-N154 WeakPolarHBondContact O-CB 3.42Å; E150-N154 PolarHBondContact O-N 3.13Å; E150-N154 PolarHBondContact O-ND2 2.91Å; F151-N154 PolarHBondContact O-N 3.08Å; V152-N154 VanDerWaalsContact C-N 3.35Å; V152-N154 PolarHBondContact O-N 3.47Å; N154-G156 VanDerWaalsContact C-N 3.29Å
155	R	95	Very high	97.2	Very high	97 Å²	97	31 Å²	31	37%	0.366	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	4	170	-67.6	-63.8	-179.6	91.6	2.7	113.8	A83 L84 R85 F151 V152 H153 F157	A83-R155 PolarHBondContact O-NH1 2.85Å; L84-R155 HydrophobicContact CD2-CB 3.52Å; L84-R155 HydrophobicContact CD2-CG 3.83Å; R85-R155 PolarHBondContact O-NH1 3.27Å; F151-R155 HydrophobicContact CE1-CG 4.35Å; F151-R155 HydrophobicContact CE2-CG 4.48Å; F151-R155 HydrophobicContact CZ-CG 4.13Å; F151-R155 WeakPolarHBondContact O-CG 3.49Å; F151-R155 PolarHBondContact O-N 3.39Å; V152-R155 CarbonylContact O-C 3.59Å; V152-R155 WeakPolarHBondContact O-CA 3.33Å; V152-R155 WeakPolarHBondContact O-CB 3.44Å; V152-R155 PolarHBondContact O-N 2.92Å; H153-R155 PolarHBondContact O-N 2.96Å; R155-F157 HydrophobicContact CB-CD2 4.44Å; R155-F157 WeakPolarHBondContact O-CD2 3.41Å
156	G	96.3	Very high	97.1	Very high	3 Å²	3	31.4 Å²	31.4	3%	0.031	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	16.9	173.8	0	0	0	0	0	114.2	V152 H153 N154 R188 W189	V152-G156 PolarHBondContact O-N 3.01Å; H153-G156 WeakPolarHBondContact O-CA 3.13Å; H153-G156 PolarHBondContact O-N 3.02Å; N154-G156 VanDerWaalsContact C-N 3.29Å; G156-R188 WeakPolarHBondContact O-CA 3.41Å; G156-W189 PolarHBondContact O-N 3.46Å; G156-W189 VanDerWaalsContact O-N 3.1Å
157	F	97.5	Very high	97.1	Very high	10 Å²	10	27.4 Å²	27.4	4%	0.044	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	150.2	178.9	-68.2	-88.9	0	0	0	111.6	V80 A83 L84 V152 H153 R155 K187 R188	V80-F157 HydrophobicContact CG1-CD1 4.2Å; V80-F157 HydrophobicContact CG1-CE1 4.34Å; V80-F157 HydrophobicContact CG1-CG 4.33Å; V80-F157 HydrophobicContact CG2-CD1 4.27Å; V80-F157 HydrophobicContact CG2-CE1 3.9Å; V80-F157 HydrophobicContact CG2-CZ 4.48Å; A83-F157 HydrophobicContact CB-CE2 3.64Å; A83-F157 HydrophobicContact CB-CZ 4.04Å; L84-F157 HydrophobicContact CD2-CD2 4.45Å; V152-F157 CarbonylContact C-O 3.56Å; V152-F157 HydrophobicContact CG1-CB 3.82Å; V152-F157 PolarHBondContact O-N 3.27Å; H153-F157 VanDerWaalsContact CA-O 3.29Å; H153-F157 WeakPolarHBondContact CA-O 3.46Å; H153-F157 PolarHBondContact CD2-O 2.93Å; H153-F157 VanDerWaalsContact CD2-O 3.3Å; H153-F157 PolarHBondContact N-O 2.92Å; R155-F157 HydrophobicContact CB-CD2 4.44Å; R155-F157 WeakPolarHBondContact O-CD2 3.41Å; F157-K187 CarbonylContact C-O 3.49Å; F157-K187 VanDerWaalsContact CA-O 3.28Å; F157-K187 WeakPolarHBondContact CA-O 3.09Å; F157-R188 HydrophobicContact CD1-CG 3.94Å; F157-R188 HydrophobicContact CE1-CG 3.56Å; F157-R188 HydrophobicContact CZ-CG 3.95Å
158	V	97.6	Very high	97	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	144.3	161.9	-74.8	0	0	0	0	108	R160 A186 K187 W189 P223 A224 R225 D228	V158-R160 HydrophobicContact CB-CG 4.43Å; V158-R160 HydrophobicContact CG2-CG 3.88Å; V158-A186 CarbonylContact O-C 3.6Å; V158-A186 WeakPolarHBondContact O-CA 3.3Å; V158-A186 WeakPolarHBondContact O-CB 3.48Å; V158-K187 HydrophobicContact CG2-CB 4.32Å; V158-K187 VanDerWaalsContact CG2-O 3.32Å; V158-K187 WeakPolarHBondContact CG2-O 3.39Å; V158-K187 PolarHBondContact N-O 3.28Å; V158-K187 PolarHBondContact O-N 3.3Å; V158-W189 HydrophobicContact CG1-CB 3.75Å; V158-W189 HydrophobicContact CG1-CG 4.06Å; V158-W189 HydrophobicContact CG2-CB 4.27Å; V158-P223 HydrophobicContact CG2-CB 3.91Å; V158-A224 VanDerWaalsContact CG1-C 3.49Å; V158-R225 HydrophobicContact CG1-CG 4.22Å; V158-D228 WeakPolarHBondContact CA-OD2 3.24Å
159	H	97.5	Very high	97	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.132	C	C	.	.			trans	-76.1	-41.6	-175.1	-168.2	-79.5	0	0	0	112	L149 D161 V162 T181 D182 F183 D228	L149-H159 HydrophobicContact CD2-CB 4.3Å; H159-D161 PolarHBondContact CE1-O 3.2Å; H159-D161 VanDerWaalsContact ND1-C 3.32Å; H159-D161 PolarHBondContact ND1-N 3.01Å; H159-D161 PolarHBondContact ND1-O 3.15Å; H159-D161 PolarHBondContact O-N 3.46Å; H159-V162 HydrophobicContact CB-CG2 3.87Å; H159-T181 PolarHBondContact NE2-O 2.94Å; H159-D182 PolarHBondContact CE1-O 3.14Å; H159-D182 PolarHBondContact NE2-O 3.48Å; H159-F183 AromaticContact CD2-CD1 3.78Å; H159-F183 AromaticContact CD2-CE1 3.59Å; H159-D228 PolarHBondContact N-OD1 3.47Å; H159-D228 PolarHBondContact N-OD2 3.48Å
160	R	96.1	Very high	96.8	Very high	48 Å²	48	28.4 Å²	28.4	18%	0.181	13%	0.132	C	C	.	.	S	Bend	trans	67.9	-19.1	179.6	-58.1	-173	57.4	-167	7.1	117.2	V158 L185 P205 P223 D228	V158-R160 HydrophobicContact CB-CG 4.43Å; V158-R160 HydrophobicContact CG2-CG 3.88Å; R160-L185 HydrophobicContact CB-CB 4.44Å; R160-L185 WeakPolarHBondContact CD-O 3.5Å; R160-P205 PolarHBondContact NH2-O 3.34Å; R160-P223 HydrophobicContact CG-CB 3.96Å; R160-P223 HydrophobicContact CG-CG 4.27Å; R160-D228 PolarHBondContact N-OD1 3.16Å
161	D	96.2	Very high	96.5	Very high	5 Å²	5	27.1 Å²	27.1	3%	0.027	13%	0.128	C	C	.	.			trans	-122.6	55.9	173.4	-164.9	34.2	0	0	0	112	H159 K163 N166 L185 G208 T209	H159-D161 PolarHBondContact CE1-O 3.2Å; H159-D161 VanDerWaalsContact ND1-C 3.32Å; H159-D161 PolarHBondContact ND1-N 3.01Å; H159-D161 PolarHBondContact ND1-O 3.15Å; H159-D161 PolarHBondContact O-N 3.46Å; D161-K163 PolarHBondContact O-N 3.27Å; D161-K163 IonicContact OD1-NZ 2.83Å; D161-K163 VanDerWaalsContact OD2-CE 3.26Å; D161-K163 WeakPolarHBondContact OD2-CE 3.41Å; D161-K163 IonicContact OD2-NZ 3.6Å; D161-K163 PolarHBondContact OD2-NZ 3.09Å; D161-N166 PolarHBondContact O-ND2 3.21Å; D161-N166 PolarHBondContact OD2-ND2 2.83Å; D161-L185 HydrophobicContact CB-CD1 3.93Å; D161-G208 VanDerWaalsContact OD1-CA 3.31Å; D161-G208 WeakPolarHBondContact OD1-CA 3.45Å; D161-T209 WeakPolarHBondContact OD1-CB 3.46Å; D161-T209 PolarHBondContact OD1-N 3.21Å; D161-T209 PolarHBondContact OD1-OG1 3.49Å
162	V	98	Very high	96.2	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.018	15%	0.149	C	C	.	.			trans	-75	108	179.5	179.5	0	0	0	0	108.8	L149 H159 F167 D228 L232 I235	L149-V162 HydrophobicContact CD1-CG1 4.33Å; L149-V162 HydrophobicContact CD2-CG2 3.85Å; H159-V162 HydrophobicContact CB-CG2 3.87Å; V162-F167 HydrophobicContact CG1-CE2 3.96Å; V162-F167 HydrophobicContact CG1-CZ 4.22Å; V162-D228 HydrophobicContact CG2-CB 3.88Å; V162-D228 WeakPolarHBondContact CG2-OD1 3.44Å; V162-L232 HydrophobicContact CG1-CB 4.47Å; V162-I235 HydrophobicContact CG1-CD1 3.78Å
163	K	96.5	Very high	95.8	Very high	33 Å²	33	40.4 Å²	40.4	14%	0.143	20%	0.196	C	C	.	.			trans	-151.9	155.5	-178.5	68.4	-168.8	-173.5	-158.9	0	111	D161 E165 N166 F167 T209 Y212	D161-K163 PolarHBondContact O-N 3.27Å; D161-K163 IonicContact OD1-NZ 2.83Å; D161-K163 VanDerWaalsContact OD2-CE 3.26Å; D161-K163 WeakPolarHBondContact OD2-CE 3.41Å; D161-K163 IonicContact OD2-NZ 3.6Å; D161-K163 PolarHBondContact OD2-NZ 3.09Å; K163-E165 WeakPolarHBondContact CB-OE2 3.43Å; K163-E165 HydrophobicContact CD-CB 4.41Å; K163-E165 HydrophobicContact CG-CB 4.16Å; K163-E165 VanDerWaalsContact CG-OE2 3.26Å; K163-E165 WeakPolarHBondContact CG-OE2 3.21Å; K163-E165 PolarHBondContact O-N 3.23Å; K163-E165 VanDerWaalsContact O-N 3.15Å; K163-N166 WeakPolarHBondContact CE-ND2 3.37Å; K163-N166 WeakPolarHBondContact CE-OD1 3.39Å; K163-N166 HydrophobicContact CG-CB 4.14Å; K163-N166 PolarHBondContact O-N 2.73Å; K163-F167 VanDerWaalsContact O-CD2 3.28Å; K163-F167 WeakPolarHBondContact O-CD2 3.32Å; K163-T209 HydrophobicContact CD-CG2 4.3Å; K163-T209 WeakPolarHBondContact CD-OG1 3.38Å; K163-T209 PolarHBondContact NZ-OG1 2.74Å; K163-Y212 HydrophobicContact CB-CD2 3.59Å; K163-Y212 HydrophobicContact CB-CE2 3.99Å
164	P	97.3	Very high	95.5	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-59.3	-28.3	-176.2	-24.2	35.9	0	0	0	114.2	L122 E123 N166 F167 Y212 I235 F239	L122-P164 HydrophobicContact CB-CB 4.16Å; L122-P164 PolarHBondContact N-O 2.89Å; E123-P164 HydrophobicContact CB-CB 3.92Å; P164-N166 PolarHBondContact O-N 2.81Å; P164-F167 PolarHBondContact O-N 2.87Å; P164-Y212 HydrophobicContact CG-CE1 4.41Å; P164-Y212 HydrophobicContact CG-CE2 4.16Å; P164-I235 HydrophobicContact CG-CD1 4.38Å; P164-I235 HydrophobicContact CG-CG1 4.12Å; P164-I235 HydrophobicContact CG-CG2 3.88Å; P164-F239 HydrophobicContact CB-CE1 3.77Å; P164-F239 HydrophobicContact CB-CZ 3.81Å; P164-F239 HydrophobicContact CG-CE1 3.65Å; P164-F239 HydrophobicContact CG-CZ 3.95Å
165	E	95.9	Very high	95.4	Very high	59 Å²	59	47.4 Å²	47.4	28%	0.276	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-64.4	-26	176.6	-60.3	85.7	165.3	0	0	113	N121 E123 K163 L168	N121-E165 WeakPolarHBondContact CB-O 3.42Å; E123-E165 HydrophobicContact CB-CG 3.94Å; E123-E165 HydrophobicContact CG-CG 4.34Å; K163-E165 WeakPolarHBondContact CB-OE2 3.43Å; K163-E165 HydrophobicContact CD-CB 4.41Å; K163-E165 HydrophobicContact CG-CB 4.16Å; K163-E165 VanDerWaalsContact CG-OE2 3.26Å; K163-E165 WeakPolarHBondContact CG-OE2 3.21Å; K163-E165 PolarHBondContact O-N 3.23Å; K163-E165 VanDerWaalsContact O-N 3.15Å; E165-L168 VanDerWaalsContact O-CD1 3.32Å; E165-L168 WeakPolarHBondContact O-CD1 3.28Å
166	N	96.8	Very high	95.3	Very high	9 Å²	9	46.9 Å²	46.9	5%	0.048	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-92.4	0.9	-179.2	-72.5	-8.1	0	0	0	113.2	D161 K163 P164 T181	D161-N166 PolarHBondContact O-ND2 3.21Å; D161-N166 PolarHBondContact OD2-ND2 2.83Å; K163-N166 WeakPolarHBondContact CE-ND2 3.37Å; K163-N166 WeakPolarHBondContact CE-OD1 3.39Å; K163-N166 HydrophobicContact CG-CB 4.14Å; K163-N166 PolarHBondContact O-N 2.73Å; P164-N166 PolarHBondContact O-N 2.81Å; N166-T181 PolarHBondContact O-N 3.33Å; N166-T181 PolarHBondContact O-OG1 3.48Å
167	F	97.9	Very high	95.3	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	112.8	170.9	-68.3	-82.9	0	0	0	109.2	N121 L122 M145 V162 K163 P164 V178 Y179 L180 I235	N121-F167 CarbonylContact C-O 3.45Å; N121-F167 VanDerWaalsContact CA-O 3.24Å; N121-F167 WeakPolarHBondContact CA-O 3.44Å; L122-F167 HydrophobicContact CB-CB 4.46Å; L122-F167 HydrophobicContact CD1-CB 3.56Å; L122-F167 HydrophobicContact CD1-CG 4.27Å; L122-F167 HydrophobicContact CG-CB 3.75Å; L122-F167 WeakPolarHBondContact CG-O 3.47Å; L122-F167 PolarHBondContact N-O 2.77Å; M145-F167 HydrophobicContact CB-CD1 4.35Å; M145-F167 HydrophobicContact CB-CE1 3.82Å; M145-F167 HydrophobicContact CB-CZ 4.11Å; M145-F167 HydrophobicContact CE-CD1 4.32Å; M145-F167 HydrophobicContact CE-CD2 3.49Å; M145-F167 VanDerWaalsContact CE-CD2 3.49Å; M145-F167 HydrophobicContact CE-CE1 4.21Å; M145-F167 HydrophobicContact CE-CE2 3.38Å; M145-F167 HydrophobicContact CE-CG 3.97Å; M145-F167 HydrophobicContact CE-CZ 3.76Å; M145-F167 HydrophobicContact CG-CD1 3.74Å; M145-F167 HydrophobicContact CG-CE1 3.72Å; M145-F167 HydrophobicContact CG-CG 4.17Å; M145-F167 HydrophobicContact CG-CZ 4.16Å; V162-F167 HydrophobicContact CG1-CE2 3.96Å; V162-F167 HydrophobicContact CG1-CZ 4.22Å; K163-F167 VanDerWaalsContact O-CD2 3.28Å; K163-F167 WeakPolarHBondContact O-CD2 3.32Å; P164-F167 PolarHBondContact O-N 2.87Å; F167-V178 HydrophobicContact CB-CG1 3.89Å; F167-V178 HydrophobicContact CD1-CG1 3.8Å; F167-V178 HydrophobicContact CG-CG1 4.29Å; F167-Y179 CarbonylContact C-O 3.59Å; F167-Y179 VanDerWaalsContact CA-O 3.29Å; F167-Y179 WeakPolarHBondContact CA-O 3.32Å; F167-L180 HydrophobicContact CD1-CB 4.42Å; F167-L180 HydrophobicContact CD1-CD1 4.11Å; F167-L180 HydrophobicContact CE1-CB 4.24Å; F167-L180 HydrophobicContact CE1-CD1 3.73Å; F167-L180 HydrophobicContact CE1-CG 4.4Å; F167-L180 HydrophobicContact CE2-CD1 4.31Å; F167-L180 HydrophobicContact CZ-CD1 3.84Å; F167-I235 HydrophobicContact CE2-CD1 4.36Å
168	L	97.5	Very high	95.2	Very high	36 Å²	36	47.1 Å²	47.1	19%	0.188	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	145.8	-176.4	-75	75.8	0	0	0	111.4	L118 N121 E165 Y179 T181	L118-L168 HydrophobicContact CB-CB 3.92Å; L118-L168 HydrophobicContact CB-CD2 3.88Å; L118-L168 HydrophobicContact CD1-CB 3.72Å; L118-L168 HydrophobicContact CD1-CD2 4.13Å; L118-L168 HydrophobicContact CD1-CG 4.47Å; L118-L168 HydrophobicContact CG-CB 4.49Å; N121-L168 HydrophobicContact CB-CD1 4.16Å; N121-L168 HydrophobicContact CB-CG 4.01Å; E165-L168 VanDerWaalsContact O-CD1 3.32Å; E165-L168 WeakPolarHBondContact O-CD1 3.28Å; L168-Y179 PolarHBondContact N-O 2.89Å; L168-Y179 PolarHBondContact O-N 3.32Å; L168-T181 HydrophobicContact CD1-CG2 3.97Å; L168-T181 VanDerWaalsContact CD1-OG1 3.28Å; L168-T181 WeakPolarHBondContact CD1-OG1 3.29Å
169	M	96.8	Very high	95.2	Very high	24 Å²	24	47.1 Å²	47.1	12%	0.118	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	147.8	173.8	-58.7	-55.3	-65.7	0	0	111	D119 T120 L122 L125 R175 V178	D119-M169 HydrophobicContact CB-CB 4.19Å; D119-M169 WeakPolarHBondContact CB-O 3.43Å; D119-M169 PolarHBondContact N-O 3.37Å; T120-M169 PolarHBondContact O-N 3.01Å; L122-M169 HydrophobicContact CD2-CG 4.47Å; L122-M169 HydrophobicContact CD2-SD 3.76Å; L125-M169 HydrophobicContact CD1-CG 3.49Å; L125-M169 VanDerWaalsContact CD1-CG 3.49Å; L125-M169 HydrophobicContact CD1-SD 4.21Å; M169-R175 WeakPolarHBondContact CE-O 3.19Å; M169-V178 HydrophobicContact CE-CG2 4.35Å; M169-V178 HydrophobicContact SD-CG2 3.84Å
170	G	94.1	Very high	95.2	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.01	23%	0.225	C	C	.	.	P	Polyproline II helix	trans	-70.9	164.9	171.9	0	0	0	0	0	113.6	R174 R175 H177	G170-R174 CarbonylContact C-O 3.47Å; G170-R174 VanDerWaalsContact CA-O 3.26Å; G170-R174 WeakPolarHBondContact CA-O 3.24Å; G170-R174 PolarHBondContact N-O 3.25Å; G170-R175 VanDerWaalsContact O-CA 3.23Å; G170-R175 WeakPolarHBondContact O-CA 3.28Å; G170-H177 PolarHBondContact N-O 2.9Å
171	L	91.7	Very high	95.1	Very high	77 Å²	77	45.7 Å²	45.7	40%	0.403	22%	0.221	S	C	.	.	S	Bend	trans	-91	154.9	172.9	-68.9	172	0	0	0	112.5	L117 D119 R173 R174	L117-L171 HydrophobicContact CB-CD1 4.13Å; L117-L171 HydrophobicContact CD2-CD1 4.08Å; L117-L171 HydrophobicContact CG-CD1 3.97Å; L117-L171 VanDerWaalsContact O-CD1 3.26Å; L117-L171 WeakPolarHBondContact O-CD1 3.38Å; D119-L171 HydrophobicContact CB-CD2 3.74Å; D119-L171 HydrophobicContact CB-CG 4.41Å; L171-R173 PolarHBondContact O-N 3.35Å; L171-R174 PolarHBondContact O-N 2.76Å
172	G	90.6	Very high	94.9	Very high	59 Å²	59	46.7 Å²	46.7	61%	0.608	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	56	-118.8	169.5	0	0	0	0	0	113.5	R174 R175	G172-R174 PolarHBondContact O-N 3.17Å; G172-R174 VanDerWaalsContact O-N 3.1Å; G172-R175 WeakPolarHBondContact O-CB 3.32Å; G172-R175 WeakPolarHBondContact O-CG 3.41Å; G172-R175 PolarHBondContact O-N 2.78Å; G172-R175 VanDerWaalsContact O-N 3.15Å
173	R	90.6	Very high	94.7	Very high	258 Å²	258	46.6 Å²	46.6	97%	0.974	23%	0.226	S	C	*	.	G	3₁₀ helix	trans	-63.3	-14.2	179.2	-68.6	-175.2	178	175.6	-0.4	113.7	L171	L171-R173 PolarHBondContact O-N 3.35Å
174	R	90.5	Very high	94.5	Very high	75 Å²	75	45.3 Å²	45.3	28%	0.283	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-106.1	18	178.1	-62.2	-170.9	-169.2	130.6	5.9	113.3	E116 G170 L171 G172 S176 H177 Y179	E116-R174 IonicContact OE1-NH1 3.69Å; E116-R174 PolarHBondContact OE1-NH1 3.28Å; E116-R174 IonicContact OE2-NH1 2.73Å; G170-R174 CarbonylContact C-O 3.47Å; G170-R174 VanDerWaalsContact CA-O 3.26Å; G170-R174 WeakPolarHBondContact CA-O 3.24Å; G170-R174 PolarHBondContact N-O 3.25Å; L171-R174 PolarHBondContact O-N 2.76Å; G172-R174 PolarHBondContact O-N 3.17Å; G172-R174 VanDerWaalsContact O-N 3.1Å; R174-S176 PolarHBondContact O-N 2.83Å; R174-H177 HydrophobicContact CB-CB 4.11Å; R174-H177 VanDerWaalsContact O-CB 3.29Å; R174-H177 WeakPolarHBondContact O-CB 3.22Å; R174-H177 PolarHBondContact O-N 3.41Å; R174-Y179 WeakPolarHBondContact CD-OH 3.29Å; R174-Y179 PolarHBondContact NH1-OH 3.1Å
175	R	93.2	Very high	94.3	Very high	197 Å²	197	47 Å²	47	74%	0.743	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-18	-179.9	69.6	179.3	-175.8	172.9	1.4	116.4	M169 G170 G172	M169-R175 WeakPolarHBondContact CE-O 3.19Å; G170-R175 VanDerWaalsContact O-CA 3.23Å; G170-R175 WeakPolarHBondContact O-CA 3.28Å; G172-R175 WeakPolarHBondContact O-CB 3.32Å; G172-R175 WeakPolarHBondContact O-CG 3.41Å; G172-R175 PolarHBondContact O-N 2.78Å; G172-R175 VanDerWaalsContact O-N 3.15Å
176	S	93.6	Very high	94.3	Very high	87 Å²	87	44.2 Å²	44.2	61%	0.608	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-102	1.6	176.4	58.8	0	0	0	0	113.2	Q144 R174	Q144-S176 PolarHBondContact NE2-O 2.82Å; Q144-S176 PolarHBondContact OE1-O 3.46Å; R174-S176 PolarHBondContact O-N 2.83Å
177	H	95	Very high	94.2	Very high	17 Å²	17	47.2 Å²	47.2	8%	0.079	23%	0.231	C	C	.	.			trans	-97.1	127.3	-177.7	-176.5	92.3	0	0	0	109.8	F88 W89 G170 R174 Y179	F88-H177 AromaticContact CD1-CE1 3.45Å; F88-H177 VanDerWaalsContact CD1-CE1 3.45Å; F88-H177 WeakPolarHBondContact CD1-CE1 3.48Å; F88-H177 AromaticContact CE1-CE1 3.19Å; F88-H177 WeakPolarHBondContact CE1-CE1 3.4Å; F88-H177 AromaticContact CE1-ND1 3.44Å; F88-H177 WeakPolarHBondContact CE1-ND1 3.33Å; F88-H177 AromaticContact CZ-CE1 3.68Å; F88-H177 AromaticContact CZ-ND1 3.62Å; F88-H177 PolarHBondContact O-CE1 3.26Å; F88-H177 VanDerWaalsContact O-CE1 3.26Å; F88-H177 PolarHBondContact O-NE2 2.89Å; W89-H177 AromaticContact CE3-CE1 3.47Å; W89-H177 VanDerWaalsContact CE3-CE1 3.47Å; W89-H177 AromaticContact CE3-NE2 3.84Å; W89-H177 AromaticContact CZ3-CE1 3.62Å; G170-H177 PolarHBondContact N-O 2.9Å; R174-H177 HydrophobicContact CB-CB 4.11Å; R174-H177 VanDerWaalsContact O-CB 3.29Å; R174-H177 WeakPolarHBondContact O-CB 3.22Å; R174-H177 PolarHBondContact O-N 3.41Å; H177-Y179 AromaticContact CD2-CD2 3.51Å; H177-Y179 AromaticContact CD2-CE1 3.9Å; H177-Y179 AromaticContact CD2-CE2 3.32Å; H177-Y179 WeakPolarHBondContact CD2-CE2 3.4Å; H177-Y179 AromaticContact CD2-CG 3.89Å; H177-Y179 AromaticContact CD2-CZ 3.58Å; H177-Y179 AromaticContact NE2-CD1 4Å; H177-Y179 AromaticContact NE2-CE1 3.93Å
178	V	97.1	Very high	94	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.9	177.2	-176.9	0	0	0	0	109.9	L122 L141 Q144 M145 F167 M169	L122-V178 HydrophobicContact CD1-CG1 4.44Å; L141-V178 HydrophobicContact CD2-CG2 3.77Å; Q144-V178 HydrophobicContact CB-CB 4.02Å; Q144-V178 HydrophobicContact CB-CG2 4.11Å; M145-V178 HydrophobicContact CG-CG1 4.38Å; F167-V178 HydrophobicContact CB-CG1 3.89Å; F167-V178 HydrophobicContact CD1-CG1 3.8Å; F167-V178 HydrophobicContact CG-CG1 4.29Å; M169-V178 HydrophobicContact CE-CG2 4.35Å; M169-V178 HydrophobicContact SD-CG2 3.84Å
179	Y	96.7	Very high	93.9	Very high	1 Å²	1	51 Å²	51	0%	0.004	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.4	174.7	-71.9	-86.4	0	0	0	110.6	W89 P91 E116 L118 F167 L168 R174 H177	W89-Y179 WeakPolarHBondContact O-CA 3.19Å; P91-Y179 HydrophobicContact CB-CD1 4.43Å; P91-Y179 HydrophobicContact CG-CD1 4.13Å; P91-Y179 HydrophobicContact CG-CG 4.48Å; E116-Y179 PolarHBondContact OE2-OH 2.71Å; L118-Y179 HydrophobicContact CD1-CD2 4.44Å; L118-Y179 HydrophobicContact CD1-CG 4.2Å; L118-Y179 HydrophobicContact CD2-CD1 4.49Å; L118-Y179 HydrophobicContact CD2-CD2 3.55Å; L118-Y179 HydrophobicContact CD2-CE2 3.74Å; L118-Y179 HydrophobicContact CD2-CG 3.93Å; F167-Y179 CarbonylContact C-O 3.59Å; F167-Y179 VanDerWaalsContact CA-O 3.29Å; F167-Y179 WeakPolarHBondContact CA-O 3.32Å; L168-Y179 PolarHBondContact N-O 2.89Å; L168-Y179 PolarHBondContact O-N 3.32Å; R174-Y179 WeakPolarHBondContact CD-OH 3.29Å; R174-Y179 PolarHBondContact NH1-OH 3.1Å; H177-Y179 AromaticContact CD2-CD2 3.51Å; H177-Y179 AromaticContact CD2-CE1 3.9Å; H177-Y179 AromaticContact CD2-CE2 3.32Å; H177-Y179 WeakPolarHBondContact CD2-CE2 3.4Å; H177-Y179 AromaticContact CD2-CG 3.89Å; H177-Y179 AromaticContact CD2-CZ 3.58Å; H177-Y179 AromaticContact NE2-CD1 4Å; H177-Y179 AromaticContact NE2-CE1 3.93Å
180	L	97.3	Very high	93.8	Very high	0 Å²	0	50 Å²	50	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	130.3	169.4	179.7	58.1	0	0	0	109.7	W89 P91 A148 L149 V152 F167 F183	W89-L180 PolarHBondContact O-N 3.49Å; P91-L180 WeakPolarHBondContact CD-O 3.33Å; A148-L180 HydrophobicContact CB-CB 4.1Å; A148-L180 HydrophobicContact CB-CD2 4.39Å; L149-L180 HydrophobicContact CD2-CD2 3.88Å; V152-L180 HydrophobicContact CG2-CD2 3.96Å; F167-L180 HydrophobicContact CD1-CB 4.42Å; F167-L180 HydrophobicContact CD1-CD1 4.11Å; F167-L180 HydrophobicContact CE1-CB 4.24Å; F167-L180 HydrophobicContact CE1-CD1 3.73Å; F167-L180 HydrophobicContact CE1-CG 4.4Å; F167-L180 HydrophobicContact CE2-CD1 4.31Å; F167-L180 HydrophobicContact CZ-CD1 3.84Å; L180-F183 HydrophobicContact CB-CZ 4.46Å; L180-F183 HydrophobicContact CD2-CE1 4.32Å; L180-F183 HydrophobicContact CD2-CZ 4.28Å; L180-F183 HydrophobicContact CG-CE1 4.34Å; L180-F183 HydrophobicContact CG-CZ 3.94Å
181	T	94.4	Very high	93.8	Very high	17 Å²	17	52.3 Å²	52.3	10%	0.104	25%	0.25	C	S	.	.			trans	-131.6	174	-176.2	68	0	0	0	0	111.7	P91 L118 H159 N166 L168	P91-T181 HydrophobicContact CG-CG2 3.82Å; L118-T181 HydrophobicContact CD1-CG2 3.61Å; H159-T181 PolarHBondContact NE2-O 2.94Å; N166-T181 PolarHBondContact O-N 3.33Å; N166-T181 PolarHBondContact O-OG1 3.48Å; L168-T181 HydrophobicContact CD1-CG2 3.97Å; L168-T181 VanDerWaalsContact CD1-OG1 3.28Å; L168-T181 WeakPolarHBondContact CD1-OG1 3.29Å
182	D	92.6	Very high	93.8	Very high	27 Å²	27	51.3 Å²	51.3	14%	0.144	25%	0.249	C	C	.	.			trans	67	70.6	174.8	-156.3	8.9	0	0	0	114.2	K61 E77 H159 G184	K61-D182 IonicContact NZ-OD1 3.49Å; K61-D182 PolarHBondContact NZ-OD1 2.97Å; E77-D182 WeakPolarHBondContact OE1-CA 3.42Å; H159-D182 PolarHBondContact CE1-O 3.14Å; H159-D182 PolarHBondContact NE2-O 3.48Å; D182-G184 PolarHBondContact O-N 3.38Å
183	F	93.8	Very high	93.9	Very high	0 Å²	0	56 Å²	56	0%	0	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-88	17.1	179.3	-62.8	-84	0	0	0	113.2	E77 V80 Y81 L84 I90 V152 H159 L180 L185 A186	E77-F183 HydrophobicContact CG-CB 4.05Å; E77-F183 PolarHBondContact OE1-N 2.8Å; V80-F183 HydrophobicContact CB-CB 3.98Å; V80-F183 HydrophobicContact CG1-CB 3.74Å; V80-F183 HydrophobicContact CG1-CD1 3.91Å; V80-F183 HydrophobicContact CG1-CG 3.94Å; Y81-F183 AromaticContact CD1-CD2 3.92Å; Y81-F183 HydrophobicContact CD1-CD2 3.92Å; Y81-F183 HydrophobicContact CD1-CE2 4.11Å; Y81-F183 AromaticContact CE1-CD2 3.48Å; Y81-F183 HydrophobicContact CE1-CD2 3.48Å; Y81-F183 VanDerWaalsContact CE1-CD2 3.48Å; Y81-F183 AromaticContact CE1-CE2 3.51Å; Y81-F183 HydrophobicContact CE1-CE2 3.51Å; Y81-F183 HydrophobicContact CE2-CD2 4.17Å; Y81-F183 HydrophobicContact CG-CD2 4.42Å; Y81-F183 AromaticContact CZ-CD2 3.59Å; Y81-F183 AromaticContact CZ-CE2 3.96Å; L84-F183 HydrophobicContact CD1-CD1 3.65Å; L84-F183 HydrophobicContact CD1-CD2 4.34Å; L84-F183 HydrophobicContact CD1-CE1 3.33Å; L84-F183 HydrophobicContact CD1-CE2 4.08Å; L84-F183 HydrophobicContact CD1-CG 4.16Å; L84-F183 HydrophobicContact CD1-CZ 3.59Å; I90-F183 HydrophobicContact CD1-CE2 4.17Å; I90-F183 HydrophobicContact CD1-CZ 3.58Å; V152-F183 HydrophobicContact CG1-CE1 4.31Å; V152-F183 HydrophobicContact CG2-CE1 3.84Å; V152-F183 HydrophobicContact CG2-CZ 4.27Å; H159-F183 AromaticContact CD2-CD1 3.78Å; H159-F183 AromaticContact CD2-CE1 3.59Å; L180-F183 HydrophobicContact CB-CZ 4.46Å; L180-F183 HydrophobicContact CD2-CE1 4.32Å; L180-F183 HydrophobicContact CD2-CZ 4.28Å; L180-F183 HydrophobicContact CG-CE1 4.34Å; L180-F183 HydrophobicContact CG-CZ 3.94Å; F183-L185 PolarHBondContact O-N 3.25Å; F183-A186 HydrophobicContact CB-CB 4Å; F183-A186 HydrophobicContact CD1-CB 4.1Å; F183-A186 WeakPolarHBondContact O-CB 3.21Å; F183-A186 PolarHBondContact O-N 3.3Å; F183-A186 VanDerWaalsContact O-N 3.09Å
184	G	91.5	Very high	94.1	Very high	7 Å²	7	47.4 Å²	47.4	7%	0.072	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-58.8	-33.7	-178.1	0	0	0	0	0	113.5	E73 H76 D182	E73-G184 WeakPolarHBondContact CG-O 3.46Å; E73-G184 VanDerWaalsContact OE1-CA 3.3Å; E73-G184 WeakPolarHBondContact OE1-CA 3.17Å; H76-G184 PolarHBondContact CD2-O 3.34Å; H76-G184 VanDerWaalsContact CD2-O 3.25Å; D182-G184 PolarHBondContact O-N 3.38Å
185	L	92.9	Very high	94.2	Very high	34 Å²	34	49.8 Å²	49.8	18%	0.178	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-97.1	-1.9	177.3	-62.4	-179.4	0	0	0	114.2	F43 R160 D161 F183 K187 A207	F43-L185 HydrophobicContact CZ-CD1 4.25Å; F43-L185 HydrophobicContact CZ-CD2 4.24Å; F43-L185 HydrophobicContact CZ-CG 4.22Å; R160-L185 HydrophobicContact CB-CB 4.44Å; R160-L185 WeakPolarHBondContact CD-O 3.5Å; D161-L185 HydrophobicContact CB-CD1 3.93Å; F183-L185 PolarHBondContact O-N 3.25Å; L185-K187 PolarHBondContact O-N 2.88Å; L185-A207 HydrophobicContact CD1-CB 4.15Å; L185-A207 HydrophobicContact CD2-CB 4.2Å
186	A	95.1	Very high	94.3	Very high	2 Å²	2	49.2 Å²	49.2	2%	0.017	25%	0.245	C	C	.	.			trans	-63.2	139.1	-173.5	0	0	0	0	0	111.4	H76 V80 V158 F183	H76-A186 PolarHBondContact CE1-O 3.25Å; H76-A186 PolarHBondContact NE2-O 3.11Å; V80-A186 HydrophobicContact CG1-CB 4.1Å; V80-A186 HydrophobicContact CG2-CB 4.3Å; V158-A186 CarbonylContact O-C 3.6Å; V158-A186 WeakPolarHBondContact O-CA 3.3Å; V158-A186 WeakPolarHBondContact O-CB 3.48Å; F183-A186 HydrophobicContact CB-CB 4Å; F183-A186 HydrophobicContact CD1-CB 4.1Å; F183-A186 WeakPolarHBondContact O-CB 3.21Å; F183-A186 PolarHBondContact O-N 3.3Å; F183-A186 VanDerWaalsContact O-N 3.09Å
187	K	94.9	Very high	94.3	Very high	71 Å²	71	49 Å²	49	31%	0.309	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	150.6	-178	-165.2	176.7	-175.8	178.8	0	110.2	F157 V158 L185 W189 E204	F157-K187 CarbonylContact C-O 3.49Å; F157-K187 VanDerWaalsContact CA-O 3.28Å; F157-K187 WeakPolarHBondContact CA-O 3.09Å; V158-K187 HydrophobicContact CG2-CB 4.32Å; V158-K187 VanDerWaalsContact CG2-O 3.32Å; V158-K187 WeakPolarHBondContact CG2-O 3.39Å; V158-K187 PolarHBondContact N-O 3.28Å; V158-K187 PolarHBondContact O-N 3.3Å; L185-K187 PolarHBondContact O-N 2.88Å; K187-W189 PolarHBondContact O-N 2.89Å; K187-E204 IonicContact NZ-OE1 3.35Å; K187-E204 PolarHBondContact NZ-OE1 2.81Å; K187-E204 IonicContact NZ-OE2 2.76Å; K187-E204 PolarHBondContact NZ-OE2 3.41Å
188	R	95.2	Very high	94.1	Very high	86 Å²	86	52.9 Å²	52.9	33%	0.325	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	131.7	169.6	-70.4	-172.5	172.3	-75	-0	109.6	G156 F157 Y198	G156-R188 WeakPolarHBondContact O-CA 3.41Å; F157-R188 HydrophobicContact CD1-CG 3.94Å; F157-R188 HydrophobicContact CE1-CG 3.56Å; F157-R188 HydrophobicContact CZ-CG 3.95Å; R188-Y198 HydrophobicContact CB-CE2 3.79Å; R188-Y198 WeakPolarHBondContact O-CD2 3.41Å; R188-Y198 VanDerWaalsContact O-CE2 3.29Å; R188-Y198 WeakPolarHBondContact O-CE2 3.38Å
189	W	95	Very high	93.7	Very high	29 Å²	29	60.7 Å²	60.7	11%	0.11	29%	0.293	C	S	.	.	S	Bend	trans	-97.2	-16.9	174	71.5	-94.7	0	0	0	112.5	H153 G156 V158 K187 P197 Y198 R225	H153-W189 PolarHBondContact O-NE1 2.91Å; G156-W189 PolarHBondContact O-N 3.46Å; G156-W189 VanDerWaalsContact O-N 3.1Å; V158-W189 HydrophobicContact CG1-CB 3.75Å; V158-W189 HydrophobicContact CG1-CG 4.06Å; V158-W189 HydrophobicContact CG2-CB 4.27Å; K187-W189 PolarHBondContact O-N 2.89Å; W189-P197 HydrophobicContact CE3-CB 4.01Å; W189-P197 HydrophobicContact CE3-CG 4.48Å; W189-P197 HydrophobicContact CZ3-CB 3.91Å; W189-P197 HydrophobicContact CZ3-CG 3.88Å; W189-P197 WeakPolarHBondContact O-CA 3.46Å; W189-Y198 VanDerWaalsContact C-CD2 3.5Å; W189-Y198 WeakPolarHBondContact O-CD2 3.38Å; W189-Y198 PolarHBondContact O-N 2.97Å; W189-R225 HydrophobicContact CD2-CG 3.92Å; W189-R225 VanDerWaalsContact CE2-CD 3.5Å; W189-R225 HydrophobicContact CE3-CG 4.49Å; W189-R225 HydrophobicContact CG-CG 4.08Å; W189-R225 HydrophobicContact CZ2-CG 4.44Å; W189-R225 VanDerWaalsContact CZ3-CZ 3.44Å; W189-R225 VanDerWaalsContact CZ3-NH2 3.34Å
190	C	94.9	Very high	93.1	Very high	3 Å²	3	65.9 Å²	65.9	2%	0.02	32%	0.318	C	S	.	.	B	Isolated β-bridge	trans	-137	158.6	177.3	63.4	0	0	0	0	112.3	R196 Y198	C190-R196 CarbonylContact C-O 3.5Å; C190-R196 WeakPolarHBondContact CA-O 3.09Å; C190-R196 WeakPolarHBondContact CB-O 3.17Å; C190-Y198 PolarHBondContact O-OH 2.91Å
191	D	93.7	Very high	92.5	Very high	51 Å²	51	71.6 Å²	71.6	27%	0.273	34%	0.344	S	S	.	.			trans	-65.9	130.3	173.1	174.2	-94.1	0	0	0	110.4	L193 T194 K195 R196 Y198	D191-L193 PolarHBondContact O-N 3.31Å; D191-L193 WeakPolarHBondContact OD1-CA 3.47Å; D191-L193 WeakPolarHBondContact OD1-CB 3.37Å; D191-L193 PolarHBondContact OD1-N 3.39Å; D191-T194 VanDerWaalsContact CB-OG1 3.31Å; D191-T194 WeakPolarHBondContact CB-OG1 3.24Å; D191-T194 PolarHBondContact OD1-N 3.5Å; D191-T194 PolarHBondContact OD1-OG1 3.11Å; D191-K195 WeakPolarHBondContact O-CA 3.07Å; D191-K195 PolarHBondContact O-N 2.8Å; D191-R196 PolarHBondContact N-O 3.16Å; D191-Y198 HydrophobicContact CB-CE1 4.13Å
192	P	91.9	Very high	91.6	Very high	56 Å²	56	74.5 Å²	74.5	36%	0.364	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-29.8	-174.2	-24.1	33.8	0	0	0	114.4	K195	P192-K195 WeakPolarHBondContact O-CE 3.47Å; P192-K195 PolarHBondContact O-NZ 2.65Å
193	L	93	Very high	91.3	Very high	156 Å²	156	83.9 Å²	83.9	82%	0.817	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-54.3	-173.8	-179	67.2	0	0	0	111.2	D191	D191-L193 PolarHBondContact O-N 3.31Å; D191-L193 WeakPolarHBondContact OD1-CA 3.47Å; D191-L193 WeakPolarHBondContact OD1-CB 3.37Å; D191-L193 PolarHBondContact OD1-N 3.39Å
194	T	94.7	Very high	90.9	Very high	79 Å²	79	85.7 Å²	85.7	49%	0.485	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-15.8	-175.9	66.3	0	0	0	0	113.3	D191 R196	D191-T194 VanDerWaalsContact CB-OG1 3.31Å; D191-T194 WeakPolarHBondContact CB-OG1 3.24Å; D191-T194 PolarHBondContact OD1-N 3.5Å; D191-T194 PolarHBondContact OD1-OG1 3.11Å; T194-R196 PolarHBondContact O-N 3.43Å; T194-R196 PolarHBondContact OG1-N 3.46Å
195	K	92.6	Very high	90.7	Very high	124 Å²	124	90.1 Å²	90.1	54%	0.539	43%	0.434	S	S	.	.			trans	57.2	12.6	-172.4	-55.2	-56.5	-172.8	-162.7	0	114.4	D191 P192	D191-K195 WeakPolarHBondContact O-CA 3.07Å; D191-K195 PolarHBondContact O-N 2.8Å; P192-K195 WeakPolarHBondContact O-CE 3.47Å; P192-K195 PolarHBondContact O-NZ 2.65Å
196	R	93.9	Very high	90.5	Very high	185 Å²	185	92.9 Å²	92.9	70%	0.698	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-75.8	134	177.1	-69.2	-174.2	174.9	-168.4	-1.2	109.8	C190 D191 T194	C190-R196 CarbonylContact C-O 3.5Å; C190-R196 WeakPolarHBondContact CA-O 3.09Å; C190-R196 WeakPolarHBondContact CB-O 3.17Å; D191-R196 PolarHBondContact N-O 3.16Å; T194-R196 PolarHBondContact O-N 3.43Å; T194-R196 PolarHBondContact OG1-N 3.46Å
197	P	93.7	Very high	90	Very high	84 Å²	84	93.7 Å²	93.7	55%	0.545	45%	0.452	S	S	.	.	B	Isolated β-bridge	trans	-55.5	146.3	170.8	-6.2	10.8	0	0	0	110.6	W189	W189-P197 HydrophobicContact CE3-CB 4.01Å; W189-P197 HydrophobicContact CE3-CG 4.48Å; W189-P197 HydrophobicContact CZ3-CB 3.91Å; W189-P197 HydrophobicContact CZ3-CG 3.88Å; W189-P197 WeakPolarHBondContact O-CA 3.46Å
198	Y	91.2	Very high	89.6	Confident	97 Å²	97	91.3 Å²	91.3	38%	0.38	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-67.7	151.7	169.6	-63.2	-58.5	0	0	0	111	R188 W189 C190 D191	R188-Y198 HydrophobicContact CB-CE2 3.79Å; R188-Y198 WeakPolarHBondContact O-CD2 3.41Å; R188-Y198 VanDerWaalsContact O-CE2 3.29Å; R188-Y198 WeakPolarHBondContact O-CE2 3.38Å; W189-Y198 VanDerWaalsContact C-CD2 3.5Å; W189-Y198 WeakPolarHBondContact O-CD2 3.38Å; W189-Y198 PolarHBondContact O-N 2.97Å; C190-Y198 PolarHBondContact O-OH 2.91Å; D191-Y198 HydrophobicContact CB-CE1 4.13Å
199	E	88.8	Confident	89.3	Confident	165 Å²	165	89.1 Å²	89.1	77%	0.771	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-63.1	142.1	175.7	-67.4	179.6	-179.1	0	0	111
200	Q	84.9	Confident	89.2	Confident	111 Å²	111	90.5 Å²	90.5	52%	0.519	46%	0.455	S	S	.	.	P	Polyproline II helix	trans	-75.3	127.8	178.8	-68.5	-69.9	-53.6	0	0	110.3	T222	Q200-T222 PolarHBondContact NE2-O 2.79Å; Q200-T222 VanDerWaalsContact NE2-O 3.11Å; Q200-T222 PolarHBondContact OE1-O 3.18Å; Q200-T222 VanDerWaalsContact OE1-O 3.1Å
201	Q	83	Confident	89.1	Confident	120 Å²	120	94.3 Å²	94.3	56%	0.561	47%	0.469	S	S	*	.			trans	-127.2	150.1	176.9	-56.7	-178.1	25.7	0	0	109.6	Q221 T222	Q201-Q221 CarbonylContact O-C 3.16Å; Q201-Q221 WeakPolarHBondContact O-CA 3.18Å; Q201-T222 PolarHBondContact N-OG1 2.71Å; Q201-T222 PolarHBondContact O-N 3.49Å; Q201-T222 PolarHBondContact O-OG1 3.25Å
202	S	77	Confident	89.2	Confident	77 Å²	77	92 Å²	92	54%	0.538	46%	0.457	S	S	.	.	S	Bend	trans	-103.2	31.4	-171.6	70.7	0	0	0	0	114.2	G220	S202-G220 CarbonylContact C-O 3.56Å
203	R	84.9	Confident	89.3	Confident	225 Å²	225	89.8 Å²	89.8	85%	0.849	44%	0.442	S	S	*	.			trans	-141.7	27.4	-173.4	-63.4	-172.4	-179	179.6	0.8	114.1	G220	R203-G220 PolarHBondContact N-O 3.37Å
204	E	86.6	Confident	89.4	Confident	37 Å²	37	82.4 Å²	82.4	17%	0.173	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-74.8	129.2	173.9	-70.2	-78.5	168.2	0	0	110.2	K187 F206 G220	K187-E204 IonicContact NZ-OE1 3.35Å; K187-E204 PolarHBondContact NZ-OE1 2.81Å; K187-E204 IonicContact NZ-OE2 2.76Å; K187-E204 PolarHBondContact NZ-OE2 3.41Å; E204-F206 PolarHBondContact O-N 2.85Å; E204-G220 PolarHBondContact N-O 3.34Å; E204-G220 WeakPolarHBondContact O-CA 3.26Å
205	P	87	Confident	89.4	Confident	100 Å²	100	82.6 Å²	82.6	65%	0.649	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-56.6	136.4	170.9	-23.9	34	0	0	0	110.5	R160 A207	R160-P205 PolarHBondContact NH2-O 3.34Å; P205-A207 PolarHBondContact O-N 3.47Å
206	F	87.7	Confident	89.5	Confident	92 Å²	92	79.9 Å²	79.9	40%	0.404	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-56.9	130.4	174	178.4	-98.1	0	0	0	109.7	E204 G208 V210 T213	E204-F206 PolarHBondContact O-N 2.85Å; F206-G208 VanDerWaalsContact CE1-O 3.28Å; F206-G208 WeakPolarHBondContact CE1-O 3.49Å; F206-G208 WeakPolarHBondContact CZ-O 3.49Å; F206-V210 HydrophobicContact CE1-CG2 3.85Å; F206-V210 HydrophobicContact CZ-CG2 3.77Å; F206-T213 HydrophobicContact CE2-CG2 3.67Å; F206-T213 HydrophobicContact CZ-CG2 4Å
207	A	84.8	Confident	89.4	Confident	20 Å²	20	72.2 Å²	72.2	17%	0.165	37%	0.369	C	S	.	.			trans	-143.1	142	173.1	0	0	0	0	0	109.1	L185 P205	L185-A207 HydrophobicContact CD1-CB 4.15Å; L185-A207 HydrophobicContact CD2-CB 4.2Å; P205-A207 PolarHBondContact O-N 3.47Å
208	G	87	Confident	89.3	Confident	21 Å²	21	71.5 Å²	71.5	22%	0.216	36%	0.358	C	S	.	.	S	Bend	trans	110	-171.2	179.1	0	0	0	0	0	113.1	D161 F206	D161-G208 VanDerWaalsContact OD1-CA 3.31Å; D161-G208 WeakPolarHBondContact OD1-CA 3.45Å; F206-G208 VanDerWaalsContact CE1-O 3.28Å; F206-G208 WeakPolarHBondContact CE1-O 3.49Å; F206-G208 WeakPolarHBondContact CZ-O 3.49Å
209	T	89.9	Confident	89.4	Confident	39 Å²	39	70.3 Å²	70.3	24%	0.239	36%	0.357	C	S	.	.			trans	-95.7	114	-171.3	-59.6	0	0	0	0	111.3	D161 K163 R211 Y212 T213	D161-T209 WeakPolarHBondContact OD1-CB 3.46Å; D161-T209 PolarHBondContact OD1-N 3.21Å; D161-T209 PolarHBondContact OD1-OG1 3.49Å; K163-T209 HydrophobicContact CD-CG2 4.3Å; K163-T209 WeakPolarHBondContact CD-OG1 3.38Å; K163-T209 PolarHBondContact NZ-OG1 2.74Å; T209-R211 HydrophobicContact CG2-CB 4.48Å; T209-R211 PolarHBondContact O-N 3Å; T209-Y212 HydrophobicContact CG2-CD2 4.17Å; T209-Y212 PolarHBondContact O-N 2.91Å; T209-Y212 VanDerWaalsContact O-N 3.09Å; T209-T213 WeakPolarHBondContact O-CB 3.46Å; T209-T213 PolarHBondContact O-N 3.41Å; T209-T213 VanDerWaalsContact O-N 3.08Å
210	V	92.1	Very high	89.6	Confident	59 Å²	59	63 Å²	63	36%	0.358	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.6	-37.8	-175.2	171.2	0	0	0	0	114.2	F206 Y212 V251	F206-V210 HydrophobicContact CE1-CG2 3.85Å; F206-V210 HydrophobicContact CZ-CG2 3.77Å; V210-Y212 VanDerWaalsContact C-N 3.31Å; V210-Y212 PolarHBondContact O-N 2.93Å; V210-V251 HydrophobicContact CG1-CG2 4Å
211	R	93.1	Very high	89.9	Confident	83 Å²	83	60.3 Å²	60.3	31%	0.313	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-33.3	-175.1	-171.7	179.9	-67.2	145.9	5	114	T209 L244 W246 W247	T209-R211 HydrophobicContact CG2-CB 4.48Å; T209-R211 PolarHBondContact O-N 3Å; R211-L244 HydrophobicContact CG-CD1 4.4Å; R211-W246 PolarHBondContact O-NE1 3.03Å; R211-W247 HydrophobicContact CG-CE3 4.21Å; R211-W247 HydrophobicContact CG-CZ3 4.39Å
212	Y	95	Very high	90.3	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-2.8	-173	-49.9	-68.2	0	0	0	112.8	K163 P164 T209 V210 S231 Y234 I235 A238 L244 W247	K163-Y212 HydrophobicContact CB-CD2 3.59Å; K163-Y212 HydrophobicContact CB-CE2 3.99Å; P164-Y212 HydrophobicContact CG-CE1 4.41Å; P164-Y212 HydrophobicContact CG-CE2 4.16Å; T209-Y212 HydrophobicContact CG2-CD2 4.17Å; T209-Y212 PolarHBondContact O-N 2.91Å; T209-Y212 VanDerWaalsContact O-N 3.09Å; V210-Y212 VanDerWaalsContact C-N 3.31Å; V210-Y212 PolarHBondContact O-N 2.93Å; Y212-S231 WeakPolarHBondContact O-CA 3.16Å; Y212-S231 WeakPolarHBondContact O-CB 3.4Å; Y212-S231 PolarHBondContact O-OG 2.88Å; Y212-Y234 WeakPolarHBondContact O-CD2 3.45Å; Y212-I235 HydrophobicContact CD1-CG1 3.8Å; Y212-I235 HydrophobicContact CE1-CG1 4.25Å; Y212-I235 HydrophobicContact CG-CG1 4.05Å; Y212-A238 HydrophobicContact CE1-CB 4.38Å; Y212-L244 HydrophobicContact CD1-CD1 4.15Å; Y212-L244 HydrophobicContact CE1-CD1 4.22Å; Y212-W247 HydrophobicContact CE1-CH2 4.41Å; Y212-W247 HydrophobicContact CE1-CZ3 4.05Å; Y212-W247 VanDerWaalsContact OH-CH2 3.24Å; Y212-W247 WeakPolarHBondContact OH-CH2 3.47Å
213	T	94.3	Very high	91	Very high	11 Å²	11	52.2 Å²	52.2	7%	0.067	27%	0.27	C	S	.	.			trans	-69	152.1	-177.6	-160.6	0	0	0	0	111.5	F206 T209 A217 H218 Y234	F206-T213 HydrophobicContact CE2-CG2 3.67Å; F206-T213 HydrophobicContact CZ-CG2 4Å; T209-T213 WeakPolarHBondContact O-CB 3.46Å; T209-T213 PolarHBondContact O-N 3.41Å; T209-T213 VanDerWaalsContact O-N 3.08Å; T213-A217 VanDerWaalsContact OG1-CB 3.27Å; T213-A217 WeakPolarHBondContact OG1-CB 3.36Å; T213-H218 WeakPolarHBondContact CG2-CD2 3.13Å; T213-H218 WeakPolarHBondContact CG2-NE2 3.5Å; T213-Y234 WeakPolarHBondContact O-CE2 3.38Å
214	S	95.5	Very high	91.5	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.241	C	C	.	.			trans	-70.4	159.3	179.2	72.3	0	0	0	0	112.3	N216 A217 H218 D227 E230	S214-N216 VanDerWaalsContact C-N 3.25Å; S214-N216 PolarHBondContact O-N 3.38Å; S214-A217 PolarHBondContact O-N 3.21Å; S214-A217 WeakPolarHBondContact OG-CB 3.28Å; S214-A217 PolarHBondContact OG-N 3.38Å; S214-A217 VanDerWaalsContact OG-N 3.12Å; S214-H218 PolarHBondContact O-N 2.96Å; S214-H218 VanDerWaalsContact O-N 3.11Å; S214-D227 WeakPolarHBondContact CB-OD1 3.41Å; S214-D227 WeakPolarHBondContact OG-CB 3.26Å; S214-D227 VanDerWaalsContact OG-CG 3.31Å; S214-D227 PolarHBondContact OG-OD1 3.43Å; S214-E230 VanDerWaalsContact CA-OE1 3.23Å; S214-E230 WeakPolarHBondContact CA-OE1 3.34Å; S214-E230 WeakPolarHBondContact CB-OE1 3.21Å
215	I	94.8	Very high	92	Very high	83 Å²	83	46.3 Å²	46.3	43%	0.426	25%	0.252	S	S	.	.	H	α-helix	trans	-57.9	-41.7	172.6	-64.3	169.7	0	0	0	110.3	A217 H218 L219 E230	I215-A217 VanDerWaalsContact C-N 3.34Å; I215-A217 PolarHBondContact O-N 2.89Å; I215-H218 WeakPolarHBondContact O-CB 3.44Å; I215-H218 PolarHBondContact O-N 2.77Å; I215-L219 HydrophobicContact CG2-CD1 4.16Å; I215-L219 WeakPolarHBondContact O-CG 3.36Å; I215-L219 PolarHBondContact O-N 2.9Å; I215-E230 PolarHBondContact N-OE1 3.13Å
216	N	94	Very high	92.4	Very high	68 Å²	68	43.6 Å²	43.6	36%	0.364	24%	0.243	S	C	.	.	H	α-helix	trans	-64.1	-37.6	179	-63.5	-36.4	0	0	0	112.6	S214 H218 L219 G220 Q221 D227	S214-N216 VanDerWaalsContact C-N 3.25Å; S214-N216 PolarHBondContact O-N 3.38Å; N216-H218 VanDerWaalsContact C-N 3.34Å; N216-L219 CarbonylContact O-C 3.59Å; N216-L219 WeakPolarHBondContact O-CB 3.24Å; N216-L219 PolarHBondContact O-N 3.28Å; N216-L219 VanDerWaalsContact O-N 3.15Å; N216-G220 PolarHBondContact O-N 2.56Å; N216-Q221 HydrophobicContact CB-CB 4.04Å; N216-Q221 HydrophobicContact CB-CG 4.24Å; N216-Q221 WeakPolarHBondContact O-CB 3.44Å; N216-Q221 PolarHBondContact O-N 3.26Å; N216-D227 VanDerWaalsContact CB-OD1 3.27Å; N216-D227 WeakPolarHBondContact CB-OD1 3.29Å; N216-D227 PolarHBondContact ND2-OD1 3.02Å; N216-D227 VanDerWaalsContact ND2-OD1 3.13Å
217	A	93	Very high	92.9	Very high	24 Å²	24	39.8 Å²	39.8	20%	0.198	23%	0.227	C	C	.	.	H	α-helix	trans	-65.8	-39.2	175.8	0	0	0	0	0	111.3	T213 S214 I215 L219 G220	T213-A217 VanDerWaalsContact OG1-CB 3.27Å; T213-A217 WeakPolarHBondContact OG1-CB 3.36Å; S214-A217 PolarHBondContact O-N 3.21Å; S214-A217 WeakPolarHBondContact OG-CB 3.28Å; S214-A217 PolarHBondContact OG-N 3.38Å; S214-A217 VanDerWaalsContact OG-N 3.12Å; I215-A217 VanDerWaalsContact C-N 3.34Å; I215-A217 PolarHBondContact O-N 2.89Å; A217-L219 VanDerWaalsContact C-N 3.26Å; A217-L219 PolarHBondContact O-N 3.31Å; A217-G220 PolarHBondContact O-N 3.47Å; A217-G220 VanDerWaalsContact O-N 3.15Å
218	H	91.8	Very high	93.5	Very high	69 Å²	69	38.9 Å²	38.9	32%	0.319	22%	0.219	S	C	.	.	H	α-helix	trans	-59.7	-35.8	170.1	-85.7	-59.4	0	0	0	113.2	T213 S214 I215 N216 G220	T213-H218 WeakPolarHBondContact CG2-CD2 3.13Å; T213-H218 WeakPolarHBondContact CG2-NE2 3.5Å; S214-H218 PolarHBondContact O-N 2.96Å; S214-H218 VanDerWaalsContact O-N 3.11Å; I215-H218 WeakPolarHBondContact O-CB 3.44Å; I215-H218 PolarHBondContact O-N 2.77Å; N216-H218 VanDerWaalsContact C-N 3.34Å; H218-G220 VanDerWaalsContact C-N 3.25Å; H218-G220 PolarHBondContact O-N 2.81Å
219	L	92.2	Very high	94.1	Very high	71 Å²	71	41.6 Å²	41.6	37%	0.372	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-0.2	177.1	-70.5	175	0	0	0	114.4	I215 N216 A217 Q221 Y259	I215-L219 HydrophobicContact CG2-CD1 4.16Å; I215-L219 WeakPolarHBondContact O-CG 3.36Å; I215-L219 PolarHBondContact O-N 2.9Å; N216-L219 CarbonylContact O-C 3.59Å; N216-L219 WeakPolarHBondContact O-CB 3.24Å; N216-L219 PolarHBondContact O-N 3.28Å; N216-L219 VanDerWaalsContact O-N 3.15Å; A217-L219 VanDerWaalsContact C-N 3.26Å; A217-L219 PolarHBondContact O-N 3.31Å; L219-Q221 VanDerWaalsContact C-N 3.29Å; L219-Q221 HydrophobicContact CB-CG 4.03Å; L219-Q221 PolarHBondContact O-N 3.01Å; L219-Y259 HydrophobicContact CD1-CE2 4.48Å; L219-Y259 WeakPolarHBondContact CD1-OH 3.37Å; L219-Y259 HydrophobicContact CD2-CD2 4.41Å; L219-Y259 HydrophobicContact CD2-CE2 3.45Å; L219-Y259 VanDerWaalsContact CD2-CE2 3.45Å; L219-Y259 HydrophobicContact CG-CE2 4.2Å
220	G	92.1	Very high	94.5	Very high	12 Å²	12	42.3 Å²	42.3	12%	0.124	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	67.2	27.8	-178.1	0	0	0	0	0	114	S202 R203 E204 N216 A217 H218	S202-G220 CarbonylContact C-O 3.56Å; R203-G220 PolarHBondContact N-O 3.37Å; E204-G220 PolarHBondContact N-O 3.34Å; E204-G220 WeakPolarHBondContact O-CA 3.26Å; N216-G220 PolarHBondContact O-N 2.56Å; A217-G220 PolarHBondContact O-N 3.47Å; A217-G220 VanDerWaalsContact O-N 3.15Å; H218-G220 VanDerWaalsContact C-N 3.25Å; H218-G220 PolarHBondContact O-N 2.81Å
221	Q	92.4	Very high	94.8	Very high	55 Å²	55	39.7 Å²	39.7	26%	0.257	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-77	158.4	175.2	-60.4	-61.7	-40.3	0	0	111.7	Q201 N216 L219 P223	Q201-Q221 CarbonylContact O-C 3.16Å; Q201-Q221 WeakPolarHBondContact O-CA 3.18Å; N216-Q221 HydrophobicContact CB-CB 4.04Å; N216-Q221 HydrophobicContact CB-CG 4.24Å; N216-Q221 WeakPolarHBondContact O-CB 3.44Å; N216-Q221 PolarHBondContact O-N 3.26Å; L219-Q221 VanDerWaalsContact C-N 3.29Å; L219-Q221 HydrophobicContact CB-CG 4.03Å; L219-Q221 PolarHBondContact O-N 3.01Å; Q221-P223 VanDerWaalsContact O-CD 3.3Å; Q221-P223 WeakPolarHBondContact O-CD 3.27Å
222	T	91.5	Very high	95	Very high	11 Å²	11	36.2 Å²	36.2	7%	0.067	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-60.5	119	174.4	-59.8	0	0	0	0	111.9	Q200 Q201 A224	Q200-T222 PolarHBondContact NE2-O 2.79Å; Q200-T222 VanDerWaalsContact NE2-O 3.11Å; Q200-T222 PolarHBondContact OE1-O 3.18Å; Q200-T222 VanDerWaalsContact OE1-O 3.1Å; Q201-T222 PolarHBondContact N-OG1 2.71Å; Q201-T222 PolarHBondContact O-N 3.49Å; Q201-T222 PolarHBondContact O-OG1 3.25Å; T222-A224 PolarHBondContact O-N 2.9Å
223	P	91.8	Very high	95.2	Very high	15 Å²	15	37.5 Å²	37.5	10%	0.097	22%	0.215	C	C	.	.	P	Polyproline II helix	trans	-54.6	131.6	-179	-26.4	32.4	0	0	0	112.8	V158 R160 Q221	V158-P223 HydrophobicContact CG2-CB 3.91Å; R160-P223 HydrophobicContact CG-CB 3.96Å; R160-P223 HydrophobicContact CG-CG 4.27Å; Q221-P223 VanDerWaalsContact O-CD 3.3Å; Q221-P223 WeakPolarHBondContact O-CD 3.27Å
224	A	94.2	Very high	95.3	Very high	31 Å²	31	38.8 Å²	38.8	26%	0.256	22%	0.219	S	C	.	.			trans	-129.6	169.8	178.5	0	0	0	0	0	110.9	V158 T222 G226 D227	V158-A224 VanDerWaalsContact CG1-C 3.49Å; T222-A224 PolarHBondContact O-N 2.9Å; A224-G226 PolarHBondContact O-N 2.86Å; A224-D227 PolarHBondContact N-OD2 3.07Å; A224-D227 WeakPolarHBondContact O-CB 3.38Å; A224-D227 PolarHBondContact O-N 2.78Å; A224-D227 VanDerWaalsContact O-N 3.12Å
225	R	97.3	Very high	95.4	Very high	107 Å²	107	38.8 Å²	38.8	40%	0.404	22%	0.219	S	C	.	.	H	α-helix	trans	-58.3	-34.5	179.6	-67.9	172.6	-76.3	172.9	0.8	112.7	H153 V158 W189 D227 D228 L229	H153-R225 HydrophobicContact CB-CG 4.04Å; H153-R225 PolarHBondContact CE1-O 3.28Å; V158-R225 HydrophobicContact CG1-CG 4.22Å; W189-R225 HydrophobicContact CD2-CG 3.92Å; W189-R225 VanDerWaalsContact CE2-CD 3.5Å; W189-R225 HydrophobicContact CE3-CG 4.49Å; W189-R225 HydrophobicContact CG-CG 4.08Å; W189-R225 HydrophobicContact CZ2-CG 4.44Å; W189-R225 VanDerWaalsContact CZ3-CZ 3.44Å; W189-R225 VanDerWaalsContact CZ3-NH2 3.34Å; R225-D227 PolarHBondContact O-N 2.76Å; R225-D228 PolarHBondContact O-N 2.96Å; R225-L229 PolarHBondContact O-N 2.73Å
226	G	96.8	Very high	95.6	Very high	44 Å²	44	36.9 Å²	36.9	45%	0.454	21%	0.209	S	C	.	.	H	α-helix	trans	-60.8	-31.6	178.5	0	0	0	0	0	113.1	A224 L229 E230	A224-G226 PolarHBondContact O-N 2.86Å; G226-L229 PolarHBondContact O-N 2.8Å; G226-E230 WeakPolarHBondContact O-CB 3.45Å; G226-E230 PolarHBondContact O-N 3.31Å
227	D	96.8	Very high	95.7	Very high	12 Å²	12	37.8 Å²	37.8	6%	0.064	21%	0.214	C	C	.	.	H	α-helix	trans	-68.4	-41.3	-178.4	-59.8	-55.5	0	0	0	112.3	S214 N216 A224 R225 L229 E230 S231	S214-D227 WeakPolarHBondContact CB-OD1 3.41Å; S214-D227 WeakPolarHBondContact OG-CB 3.26Å; S214-D227 VanDerWaalsContact OG-CG 3.31Å; S214-D227 PolarHBondContact OG-OD1 3.43Å; N216-D227 VanDerWaalsContact CB-OD1 3.27Å; N216-D227 WeakPolarHBondContact CB-OD1 3.29Å; N216-D227 PolarHBondContact ND2-OD1 3.02Å; N216-D227 VanDerWaalsContact ND2-OD1 3.13Å; A224-D227 PolarHBondContact N-OD2 3.07Å; A224-D227 WeakPolarHBondContact O-CB 3.38Å; A224-D227 PolarHBondContact O-N 2.78Å; A224-D227 VanDerWaalsContact O-N 3.12Å; R225-D227 PolarHBondContact O-N 2.76Å; D227-L229 VanDerWaalsContact C-N 3.28Å; D227-L229 PolarHBondContact O-N 2.74Å; D227-E230 PolarHBondContact O-N 3.25Å; D227-S231 WeakPolarHBondContact O-CB 3.26Å; D227-S231 PolarHBondContact O-N 3.4Å; D227-S231 PolarHBondContact O-OG 3.45Å
228	D	98.4	Very high	95.8	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.204	C	C	.	.	H	α-helix	trans	-63.5	-36.6	174.4	-76.3	-14.4	0	0	0	111	L149 H153 V158 H159 R160 V162 R225 L232	L149-D228 HydrophobicContact CD1-CB 4.39Å; L149-D228 HydrophobicContact CD2-CB 4.26Å; H153-D228 IonicContact CD2-OD2 3.39Å; H153-D228 IonicContact CE1-OD2 2.77Å; H153-D228 IonicContact NE2-OD2 3.19Å; H153-D228 PolarHBondContact NE2-OD2 3.46Å; V158-D228 WeakPolarHBondContact CA-OD2 3.24Å; H159-D228 PolarHBondContact N-OD1 3.47Å; H159-D228 PolarHBondContact N-OD2 3.48Å; R160-D228 PolarHBondContact N-OD1 3.16Å; V162-D228 HydrophobicContact CG2-CB 3.88Å; V162-D228 WeakPolarHBondContact CG2-OD1 3.44Å; R225-D228 PolarHBondContact O-N 2.96Å; D228-L232 WeakPolarHBondContact O-CB 3.45Å; D228-L232 PolarHBondContact O-N 2.98Å
229	L	98.5	Very high	96.1	Very high	77 Å²	77	33.4 Å²	33.4	40%	0.403	19%	0.189	S	C	.	.	H	α-helix	trans	-74.8	-37.7	179.4	-63.8	-178.7	0	0	0	112.5	L146 L149 R225 G226 D227 S231 L232 G233	L146-L229 HydrophobicContact CD1-CD2 3.62Å; L149-L229 HydrophobicContact CD1-CD2 4.41Å; R225-L229 PolarHBondContact O-N 2.73Å; G226-L229 PolarHBondContact O-N 2.8Å; D227-L229 VanDerWaalsContact C-N 3.28Å; D227-L229 PolarHBondContact O-N 2.74Å; L229-S231 VanDerWaalsContact C-N 3.34Å; L229-L232 PolarHBondContact O-N 3.38Å; L229-G233 PolarHBondContact O-N 3.18Å
230	E	98.3	Very high	96.2	Very high	54 Å²	54	33.6 Å²	33.6	25%	0.252	19%	0.188	S	C	.	.	H	α-helix	trans	-61.5	-46.1	171.9	-175.7	175.7	134.7	0	0	110.5	S214 I215 G226 D227 L232 G233 Y234	S214-E230 VanDerWaalsContact CA-OE1 3.23Å; S214-E230 WeakPolarHBondContact CA-OE1 3.34Å; S214-E230 WeakPolarHBondContact CB-OE1 3.21Å; I215-E230 PolarHBondContact N-OE1 3.13Å; G226-E230 WeakPolarHBondContact O-CB 3.45Å; G226-E230 PolarHBondContact O-N 3.31Å; D227-E230 PolarHBondContact O-N 3.25Å; E230-L232 VanDerWaalsContact C-N 3.33Å; E230-L232 PolarHBondContact O-N 3.29Å; E230-G233 WeakPolarHBondContact O-CA 3.46Å; E230-G233 PolarHBondContact O-N 3.07Å; E230-Y234 HydrophobicContact CG-CE1 4.34Å; E230-Y234 HydrophobicContact CG-CE2 3.78Å; E230-Y234 PolarHBondContact O-N 3.26Å; E230-Y234 PolarHBondContact OE1-OH 3.49Å
231	S	98.2	Very high	96.3	Very high	5 Å²	5	38.2 Å²	38.2	4%	0.035	21%	0.209	C	C	.	.	H	α-helix	trans	-59.1	-43.5	175	-54	0	0	0	0	112	Y212 D227 L229 G233 Y234 I235	Y212-S231 WeakPolarHBondContact O-CA 3.16Å; Y212-S231 WeakPolarHBondContact O-CB 3.4Å; Y212-S231 PolarHBondContact O-OG 2.88Å; D227-S231 WeakPolarHBondContact O-CB 3.26Å; D227-S231 PolarHBondContact O-N 3.4Å; D227-S231 PolarHBondContact O-OG 3.45Å; L229-S231 VanDerWaalsContact C-N 3.34Å; S231-G233 VanDerWaalsContact C-N 3.32Å; S231-G233 PolarHBondContact O-N 2.88Å; S231-Y234 PolarHBondContact O-N 2.92Å; S231-I235 WeakPolarHBondContact O-CG1 3.34Å; S231-I235 PolarHBondContact O-N 3.22Å; S231-I235 VanDerWaalsContact O-N 3.08Å
232	L	98.5	Very high	96.3	Very high	9 Å²	9	36.6 Å²	36.6	5%	0.047	21%	0.207	C	C	.	.	H	α-helix	trans	-59.5	-42.8	172.6	177.3	61.7	0	0	0	111.4	M145 L146 L149 V162 D228 L229 E230 Y234 I235 L236	M145-L232 HydrophobicContact CB-CD1 3.79Å; M145-L232 HydrophobicContact CE-CD1 3.38Å; M145-L232 HydrophobicContact SD-CD1 4.02Å; L146-L232 HydrophobicContact CB-CD2 4.16Å; L146-L232 HydrophobicContact CD1-CD2 4.28Å; L149-L232 HydrophobicContact CD1-CB 4.05Å; L149-L232 HydrophobicContact CD1-CD2 3.98Å; L149-L232 HydrophobicContact CD1-CG 4.5Å; V162-L232 HydrophobicContact CG1-CB 4.47Å; D228-L232 WeakPolarHBondContact O-CB 3.45Å; D228-L232 PolarHBondContact O-N 2.98Å; L229-L232 PolarHBondContact O-N 3.38Å; E230-L232 VanDerWaalsContact C-N 3.33Å; E230-L232 PolarHBondContact O-N 3.29Å; L232-Y234 VanDerWaalsContact C-N 3.32Å; L232-Y234 PolarHBondContact O-N 3.41Å; L232-I235 WeakPolarHBondContact O-CB 3.32Å; L232-I235 PolarHBondContact O-N 2.81Å; L232-I235 VanDerWaalsContact O-N 3.13Å; L232-L236 HydrophobicContact CD1-CD1 4.38Å; L232-L236 HydrophobicContact CD1-CD2 4.3Å; L232-L236 HydrophobicContact CD1-CG 4.1Å; L232-L236 HydrophobicContact CG-CD1 4.14Å; L232-L236 HydrophobicContact CG-CG 4.29Å; L232-L236 VanDerWaalsContact O-CG 3.32Å; L232-L236 WeakPolarHBondContact O-CG 3.32Å; L232-L236 PolarHBondContact O-N 3.27Å
233	G	98.2	Very high	96.4	Very high	29 Å²	29	38.5 Å²	38.5	30%	0.299	22%	0.219	S	C	.	.	H	α-helix	trans	-54.8	-46.5	175.5	0	0	0	0	0	112.5	L229 E230 S231 I235 L236 L237	L229-G233 PolarHBondContact O-N 3.18Å; E230-G233 WeakPolarHBondContact O-CA 3.46Å; E230-G233 PolarHBondContact O-N 3.07Å; S231-G233 VanDerWaalsContact C-N 3.32Å; S231-G233 PolarHBondContact O-N 2.88Å; G233-I235 VanDerWaalsContact C-N 3.35Å; G233-I235 PolarHBondContact O-N 3.13Å; G233-L236 PolarHBondContact O-N 3.38Å; G233-L237 WeakPolarHBondContact O-CG 3.19Å; G233-L237 PolarHBondContact O-N 2.82Å
234	Y	97.8	Very high	96.5	Very high	38 Å²	38	38 Å²	38	15%	0.149	22%	0.215	C	C	.	.	H	α-helix	trans	-62.6	-39.5	175.8	-58.6	-32	0	0	0	112.7	Y212 T213 E230 S231 L232 L237 A238 W246	Y212-Y234 WeakPolarHBondContact O-CD2 3.45Å; T213-Y234 WeakPolarHBondContact O-CE2 3.38Å; E230-Y234 HydrophobicContact CG-CE1 4.34Å; E230-Y234 HydrophobicContact CG-CE2 3.78Å; E230-Y234 PolarHBondContact O-N 3.26Å; E230-Y234 PolarHBondContact OE1-OH 3.49Å; S231-Y234 PolarHBondContact O-N 2.92Å; L232-Y234 VanDerWaalsContact C-N 3.32Å; L232-Y234 PolarHBondContact O-N 3.41Å; Y234-L237 PolarHBondContact O-N 2.82Å; Y234-A238 WeakPolarHBondContact O-CB 3.44Å; Y234-A238 PolarHBondContact O-N 3.47Å; Y234-W246 AromaticContact CD1-CH2 3.86Å; Y234-W246 HydrophobicContact CD1-CH2 3.86Å; Y234-W246 AromaticContact CD1-CZ2 3.87Å; Y234-W246 HydrophobicContact CD1-CZ2 3.87Å; Y234-W246 HydrophobicContact CD2-CZ2 4.21Å; Y234-W246 AromaticContact CE1-CH2 3.78Å; Y234-W246 HydrophobicContact CE1-CH2 3.78Å; Y234-W246 HydrophobicContact CE1-CZ2 4.09Å; Y234-W246 HydrophobicContact CE2-CZ2 4.38Å; Y234-W246 HydrophobicContact CG-CH2 4.41Å; Y234-W246 AromaticContact CG-CZ2 3.95Å; Y234-W246 HydrophobicContact CG-CZ2 3.95Å
235	I	97.8	Very high	96.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-61.8	-46.7	174.6	-66.9	170.3	0	0	0	111.1	M145 V162 P164 F167 Y212 S231 L232 G233 L237 A238 F239	M145-I235 HydrophobicContact CE-CD1 4.22Å; M145-I235 HydrophobicContact CE-CG2 3.79Å; V162-I235 HydrophobicContact CG1-CD1 3.78Å; P164-I235 HydrophobicContact CG-CD1 4.38Å; P164-I235 HydrophobicContact CG-CG1 4.12Å; P164-I235 HydrophobicContact CG-CG2 3.88Å; F167-I235 HydrophobicContact CE2-CD1 4.36Å; Y212-I235 HydrophobicContact CD1-CG1 3.8Å; Y212-I235 HydrophobicContact CE1-CG1 4.25Å; Y212-I235 HydrophobicContact CG-CG1 4.05Å; S231-I235 WeakPolarHBondContact O-CG1 3.34Å; S231-I235 PolarHBondContact O-N 3.22Å; S231-I235 VanDerWaalsContact O-N 3.08Å; L232-I235 WeakPolarHBondContact O-CB 3.32Å; L232-I235 PolarHBondContact O-N 2.81Å; L232-I235 VanDerWaalsContact O-N 3.13Å; G233-I235 VanDerWaalsContact C-N 3.35Å; G233-I235 PolarHBondContact O-N 3.13Å; I235-L237 VanDerWaalsContact C-N 3.32Å; I235-L237 PolarHBondContact O-N 2.93Å; I235-A238 WeakPolarHBondContact O-CB 3.29Å; I235-A238 PolarHBondContact O-N 3.49Å; I235-A238 VanDerWaalsContact O-N 3.16Å; I235-F239 HydrophobicContact CG2-CD1 4.05Å; I235-F239 HydrophobicContact CG2-CD2 3.92Å; I235-F239 HydrophobicContact CG2-CE1 3.68Å; I235-F239 HydrophobicContact CG2-CE2 3.51Å; I235-F239 HydrophobicContact CG2-CG 4.19Å; I235-F239 HydrophobicContact CG2-CZ 3.38Å; I235-F239 WeakPolarHBondContact O-CB 3.07Å; I235-F239 WeakPolarHBondContact O-CG 3.37Å; I235-F239 PolarHBondContact O-N 2.89Å
236	L	97.9	Very high	96.2	Very high	42 Å²	42	41.4 Å²	41.4	22%	0.22	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-38.7	-178.2	-64.4	179.9	0	0	0	111.7	T138 A142 L232 G233 F239 H240	T138-L236 HydrophobicContact CG2-CD2 4.2Å; A142-L236 HydrophobicContact CB-CD1 3.64Å; A142-L236 HydrophobicContact CB-CD2 3.59Å; A142-L236 HydrophobicContact CB-CG 4.27Å; L232-L236 HydrophobicContact CD1-CD1 4.38Å; L232-L236 HydrophobicContact CD1-CD2 4.3Å; L232-L236 HydrophobicContact CD1-CG 4.1Å; L232-L236 HydrophobicContact CG-CD1 4.14Å; L232-L236 HydrophobicContact CG-CG 4.29Å; L232-L236 VanDerWaalsContact O-CG 3.32Å; L232-L236 WeakPolarHBondContact O-CG 3.32Å; L232-L236 PolarHBondContact O-N 3.27Å; G233-L236 PolarHBondContact O-N 3.38Å; L236-F239 HydrophobicContact CD2-CD2 4.44Å; L236-F239 PolarHBondContact O-N 3.03Å; L236-H240 PolarHBondContact O-N 3.46Å; L236-H240 VanDerWaalsContact O-N 3.11Å
237	L	96.6	Very high	95.7	Very high	88 Å²	88	40.9 Å²	40.9	46%	0.461	22%	0.222	S	C	.	.	H	α-helix	trans	-62.1	-47.6	171.3	-70.9	173.9	0	0	0	111.1	G233 Y234 I235 F239 H240 L241 L244	G233-L237 WeakPolarHBondContact O-CG 3.19Å; G233-L237 PolarHBondContact O-N 2.82Å; Y234-L237 PolarHBondContact O-N 2.82Å; I235-L237 VanDerWaalsContact C-N 3.32Å; I235-L237 PolarHBondContact O-N 2.93Å; L237-F239 VanDerWaalsContact C-N 3.33Å; L237-F239 PolarHBondContact O-N 3.4Å; L237-H240 PolarHBondContact O-N 3.17Å; L237-L241 HydrophobicContact CB-CD1 4.46Å; L237-L241 HydrophobicContact CD2-CD1 4.36Å; L237-L241 VanDerWaalsContact O-CB 3.28Å; L237-L241 WeakPolarHBondContact O-CB 3.38Å; L237-L241 WeakPolarHBondContact O-CG 3.47Å; L237-L241 PolarHBondContact O-N 2.97Å; L237-L244 HydrophobicContact CB-CD2 4.01Å
238	A	95.9	Very high	94.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-60.9	-40.4	177.5	0	0	0	0	0	112.7	Y212 Y234 I235 H240 G242 L244 W247	Y212-A238 HydrophobicContact CE1-CB 4.38Å; Y234-A238 WeakPolarHBondContact O-CB 3.44Å; Y234-A238 PolarHBondContact O-N 3.47Å; I235-A238 WeakPolarHBondContact O-CB 3.29Å; I235-A238 PolarHBondContact O-N 3.49Å; I235-A238 VanDerWaalsContact O-N 3.16Å; A238-H240 VanDerWaalsContact C-N 3.32Å; A238-H240 PolarHBondContact O-N 3.45Å; A238-G242 CarbonylContact O-C 3.52Å; A238-G242 WeakPolarHBondContact O-CA 3.02Å; A238-G242 PolarHBondContact O-N 3.21Å; A238-L244 HydrophobicContact CB-CD1 4.27Å; A238-L244 HydrophobicContact CB-CD2 4.36Å; A238-L244 HydrophobicContact CB-CG 4.02Å; A238-W247 HydrophobicContact CB-CZ3 3.75Å
239	F	97	Very high	93.7	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.5	-39.8	176.3	-76.2	-2.5	0	0	0	112	L122 R126 R132 F133 T138 L141 M145 P164 I235 L236 L237	L122-F239 HydrophobicContact CB-CE2 4.45Å; L122-F239 HydrophobicContact CB-CZ 3.74Å; L122-F239 HydrophobicContact CD1-CE2 3.95Å; L122-F239 HydrophobicContact CD1-CZ 3.99Å; R126-F239 HydrophobicContact CG-CD1 4.38Å; R132-F239 CarbonylContact C-O 3.58Å; R132-F239 WeakPolarHBondContact CA-O 3.23Å; R132-F239 WeakPolarHBondContact CB-O 3.26Å; F133-F239 HydrophobicContact CD2-CB 3.97Å; F133-F239 HydrophobicContact CD2-CD1 4.23Å; F133-F239 AromaticContact CD2-CD2 3.95Å; F133-F239 HydrophobicContact CD2-CD2 3.95Å; F133-F239 HydrophobicContact CD2-CE2 4.49Å; F133-F239 AromaticContact CD2-CG 3.8Å; F133-F239 HydrophobicContact CD2-CG 3.8Å; F133-F239 HydrophobicContact CE2-CD1 4.12Å; F133-F239 HydrophobicContact CE2-CD2 4.11Å; F133-F239 HydrophobicContact CE2-CE1 4.19Å; F133-F239 HydrophobicContact CE2-CE2 4.22Å; F133-F239 HydrophobicContact CE2-CG 4.06Å; F133-F239 HydrophobicContact CE2-CZ 4.25Å; F133-F239 PolarHBondContact N-O 3.34Å; T138-F239 HydrophobicContact CG2-CB 4.13Å; L141-F239 HydrophobicContact CD1-CD2 4.29Å; L141-F239 HydrophobicContact CD1-CE2 4.15Å; M145-F239 HydrophobicContact CE-CE2 4.36Å; M145-F239 HydrophobicContact SD-CE2 4.08Å; P164-F239 HydrophobicContact CB-CE1 3.77Å; P164-F239 HydrophobicContact CB-CZ 3.81Å; P164-F239 HydrophobicContact CG-CE1 3.65Å; P164-F239 HydrophobicContact CG-CZ 3.95Å; I235-F239 HydrophobicContact CG2-CD1 4.05Å; I235-F239 HydrophobicContact CG2-CD2 3.92Å; I235-F239 HydrophobicContact CG2-CE1 3.68Å; I235-F239 HydrophobicContact CG2-CE2 3.51Å; I235-F239 HydrophobicContact CG2-CG 4.19Å; I235-F239 HydrophobicContact CG2-CZ 3.38Å; I235-F239 WeakPolarHBondContact O-CB 3.07Å; I235-F239 WeakPolarHBondContact O-CG 3.37Å; I235-F239 PolarHBondContact O-N 2.89Å; L236-F239 HydrophobicContact CD2-CD2 4.44Å; L236-F239 PolarHBondContact O-N 3.03Å; L237-F239 VanDerWaalsContact C-N 3.33Å; L237-F239 PolarHBondContact O-N 3.4Å
240	H	94.1	Very high	91.7	Very high	75 Å²	75	57.3 Å²	57.3	35%	0.347	29%	0.29	S	S	.	.	H	α-helix	trans	-82.2	-45.9	-177.6	-173.3	58.5	0	0	0	113.1	L236 L237 A238	L236-H240 PolarHBondContact O-N 3.46Å; L236-H240 VanDerWaalsContact O-N 3.11Å; L237-H240 PolarHBondContact O-N 3.17Å; A238-H240 VanDerWaalsContact C-N 3.32Å; A238-H240 PolarHBondContact O-N 3.45Å
241	L	94.2	Very high	89.6	Confident	110 Å²	110	58.2 Å²	58.2	58%	0.576	30%	0.299	S	S	*	.	H	α-helix	trans	-85.7	-17.5	-175.4	-58.4	177.2	0	0	0	112.9	L237 T243	L237-L241 HydrophobicContact CB-CD1 4.46Å; L237-L241 HydrophobicContact CD2-CD1 4.36Å; L237-L241 VanDerWaalsContact O-CB 3.28Å; L237-L241 WeakPolarHBondContact O-CB 3.38Å; L237-L241 WeakPolarHBondContact O-CG 3.47Å; L237-L241 PolarHBondContact O-N 2.97Å; L241-T243 PolarHBondContact O-N 2.72Å
242	G	93.6	Very high	87	Confident	21 Å²	21	64.5 Å²	64.5	22%	0.216	33%	0.332	C	S	.	.	S	Bend	trans	81.4	-10.5	-176.5	0	0	0	0	0	115	R126 G131 A238	R126-G242 PolarHBondContact NH1-O 3.36Å; G131-G242 WeakPolarHBondContact O-CA 3.33Å; A238-G242 CarbonylContact O-C 3.52Å; A238-G242 WeakPolarHBondContact O-CA 3.02Å; A238-G242 PolarHBondContact O-N 3.21Å
243	T	93.1	Very high	84.2	Confident	50 Å²	50	69.9 Å²	69.9	31%	0.307	37%	0.369	S	S	.	.	S	Bend	trans	-155.1	172.8	179.9	-168	0	0	0	0	111.3	L241 W247	L241-T243 PolarHBondContact O-N 2.72Å; T243-W247 WeakPolarHBondContact OG1-CB 3.45Å
244	L	93.2	Very high	81.3	Confident	5 Å²	5	75.9 Å²	75.9	3%	0.026	39%	0.394	C	S	.	.			trans	-121.9	153.3	167.6	-67	168.4	0	0	0	109.3	R211 Y212 L237 A238 W246 W247	R211-L244 HydrophobicContact CG-CD1 4.4Å; Y212-L244 HydrophobicContact CD1-CD1 4.15Å; Y212-L244 HydrophobicContact CE1-CD1 4.22Å; L237-L244 HydrophobicContact CB-CD2 4.01Å; A238-L244 HydrophobicContact CB-CD1 4.27Å; A238-L244 HydrophobicContact CB-CD2 4.36Å; A238-L244 HydrophobicContact CB-CG 4.02Å; L244-W246 HydrophobicContact CB-CD2 4.27Å; L244-W246 HydrophobicContact CB-CZ2 4.31Å; L244-W246 HydrophobicContact CD1-CZ2 3.95Å; L244-W246 HydrophobicContact CD2-CZ2 4.29Å; L244-W246 HydrophobicContact CG-CZ2 4.42Å; L244-W246 PolarHBondContact O-N 3.25Å; L244-W246 VanDerWaalsContact O-N 3.12Å; L244-W247 HydrophobicContact CB-CB 4.5Å; L244-W247 HydrophobicContact CB-CE3 4.06Å; L244-W247 HydrophobicContact CD1-CE3 4.21Å; L244-W247 HydrophobicContact CD1-CZ3 4.35Å; L244-W247 HydrophobicContact CG-CE3 4.06Å; L244-W247 HydrophobicContact CG-CZ3 4.4Å; L244-W247 WeakPolarHBondContact O-CB 3.44Å; L244-W247 PolarHBondContact O-N 2.97Å
245	P	93	Very high	78.7	Confident	124 Å²	124	78.7 Å²	78.7	81%	0.805	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-32.3	-179.6	-26.8	35.4	0	0	0	114.1
246	W	93.1	Very high	75.7	Confident	86 Å²	86	82.5 Å²	82.5	33%	0.326	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	5	179.1	53.5	88.4	0	0	0	114.6	R211 Y234 L244 Y248 T249	R211-W246 PolarHBondContact O-NE1 3.03Å; Y234-W246 AromaticContact CD1-CH2 3.86Å; Y234-W246 HydrophobicContact CD1-CH2 3.86Å; Y234-W246 AromaticContact CD1-CZ2 3.87Å; Y234-W246 HydrophobicContact CD1-CZ2 3.87Å; Y234-W246 HydrophobicContact CD2-CZ2 4.21Å; Y234-W246 AromaticContact CE1-CH2 3.78Å; Y234-W246 HydrophobicContact CE1-CH2 3.78Å; Y234-W246 HydrophobicContact CE1-CZ2 4.09Å; Y234-W246 HydrophobicContact CE2-CZ2 4.38Å; Y234-W246 HydrophobicContact CG-CH2 4.41Å; Y234-W246 AromaticContact CG-CZ2 3.95Å; Y234-W246 HydrophobicContact CG-CZ2 3.95Å; L244-W246 HydrophobicContact CB-CD2 4.27Å; L244-W246 HydrophobicContact CB-CZ2 4.31Å; L244-W246 HydrophobicContact CD1-CZ2 3.95Å; L244-W246 HydrophobicContact CD2-CZ2 4.29Å; L244-W246 HydrophobicContact CG-CZ2 4.42Å; L244-W246 PolarHBondContact O-N 3.25Å; L244-W246 VanDerWaalsContact O-N 3.12Å; W246-Y248 PolarHBondContact O-N 3.08Å; W246-T249 WeakPolarHBondContact CA-OG1 3.38Å; W246-T249 VanDerWaalsContact O-CB 3.3Å; W246-T249 WeakPolarHBondContact O-CB 3.42Å; W246-T249 PolarHBondContact O-N 3.36Å; W246-T249 VanDerWaalsContact O-N 3.12Å; W246-T249 PolarHBondContact O-OG1 3.34Å
247	W	86.4	Confident	72.9	Confident	33 Å²	33	86.2 Å²	86.2	13%	0.125	47%	0.466	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-41.2	-169	-167.1	-76.1	0	0	0	114.8	R211 Y212 A238 T243 L244	R211-W247 HydrophobicContact CG-CE3 4.21Å; R211-W247 HydrophobicContact CG-CZ3 4.39Å; Y212-W247 HydrophobicContact CE1-CH2 4.41Å; Y212-W247 HydrophobicContact CE1-CZ3 4.05Å; Y212-W247 VanDerWaalsContact OH-CH2 3.24Å; Y212-W247 WeakPolarHBondContact OH-CH2 3.47Å; A238-W247 HydrophobicContact CB-CZ3 3.75Å; T243-W247 WeakPolarHBondContact OG1-CB 3.45Å; L244-W247 HydrophobicContact CB-CB 4.5Å; L244-W247 HydrophobicContact CB-CE3 4.06Å; L244-W247 HydrophobicContact CD1-CE3 4.21Å; L244-W247 HydrophobicContact CD1-CZ3 4.35Å; L244-W247 HydrophobicContact CG-CE3 4.06Å; L244-W247 HydrophobicContact CG-CZ3 4.4Å; L244-W247 WeakPolarHBondContact O-CB 3.44Å; L244-W247 PolarHBondContact O-N 2.97Å
248	Y	80	Confident	70.3	Confident	192 Å²	192	89.6 Å²	89.6	75%	0.753	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	10.2	-177	-57.5	-69.6	0	0	0	113.3	W246 K250	W246-Y248 PolarHBondContact O-N 3.08Å; Y248-K250 PolarHBondContact O-N 2.91Å
249	T	73.5	Confident	67.4	Low	46 Å²	46	97.8 Å²	97.8	28%	0.282	51%	0.506	S	S	.	.			trans	-63.8	122.5	175.6	-52.1	0	0	0	0	108.7	W246 V251 Y258	W246-T249 WeakPolarHBondContact CA-OG1 3.38Å; W246-T249 VanDerWaalsContact O-CB 3.3Å; W246-T249 WeakPolarHBondContact O-CB 3.42Å; W246-T249 PolarHBondContact O-N 3.36Å; W246-T249 VanDerWaalsContact O-N 3.12Å; W246-T249 PolarHBondContact O-OG1 3.34Å; T249-V251 VanDerWaalsContact C-N 3.35Å; T249-V251 PolarHBondContact O-N 3Å; T249-Y258 HydrophobicContact CG2-CE2 4.02Å; T249-Y258 WeakPolarHBondContact CG2-OH 3.37Å; T249-Y258 PolarHBondContact OG1-OH 3.22Å; T249-Y258 VanDerWaalsContact OG1-OH 3.12Å
250	K	55.8	Low	64.3	Low	197 Å²	197	111 Å²	111	86%	0.857	56%	0.563	S	S	*	*			trans	-68.5	96.3	167.1	-67.9	-169.9	179.6	-176.1	0	108.2	Y248 N252	Y248-K250 PolarHBondContact O-N 2.91Å; K250-N252 PolarHBondContact O-N 3.04Å
251	V	54.3	Low	62.8	Low	73 Å²	73	112.9 Å²	112.9	44%	0.442	57%	0.574	S	S	.	*			trans	-77	106.9	171.3	-172.4	0	0	0	0	107	V210 T249 C253	V210-V251 HydrophobicContact CG1-CG2 4Å; T249-V251 VanDerWaalsContact C-N 3.35Å; T249-V251 PolarHBondContact O-N 3Å; V251-C253 PolarHBondContact O-N 3.15Å
252	N	43.2	Very low	61.1	Low	136 Å²	136	113 Å²	113	73%	0.727	57%	0.574	S	S	*	*			trans	-67.5	115	160.5	-83.1	-23	0	0	0	106.4	K250 N254	K250-N252 PolarHBondContact O-N 3.04Å; N252-N254 PolarHBondContact O-N 3.1Å
253	C	40.5	Very low	59.3	Low	122 Å²	122	118.1 Å²	118.1	82%	0.824	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	17.5	-169.4	-56	0	0	0	0	116.4	V251	V251-C253 PolarHBondContact O-N 3.15Å
254	N	37.3	Very low	57.3	Low	156 Å²	156	122.1 Å²	122.1	83%	0.834	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.3	-0.4	-175.8	-77	-19.8	0	0	0	115.6	N252	N252-N254 PolarHBondContact O-N 3.1Å
255	V	41.7	Very low	55.1	Low	97 Å²	97	129.4 Å²	129.4	59%	0.588	65%	0.647	S	S	*	*	S	Bend	trans	-147.4	125.8	179.9	-167.6	0	0	0	0	110.9	L257	V255-L257 HydrophobicContact CG1-CD2 4.48Å; V255-L257 PolarHBondContact O-N 2.98Å
256	A	34.9	Very low	52.6	Low	80 Å²	80	129.8 Å²	129.8	66%	0.661	64%	0.637	S	S	*	*			trans	-50	107.7	161.6	0	0	0	0	0	109.7
257	L	39.3	Very low	49.7	Very low	120 Å²	120	132.9 Å²	132.9	63%	0.628	66%	0.659	S	S	*	*			trans	-122.7	110	165.6	-62.7	170.9	0	0	0	102	V255	V255-L257 HydrophobicContact CG1-CD2 4.48Å; V255-L257 PolarHBondContact O-N 2.98Å
258	Y	42.1	Very low	46.8	Very low	158 Å²	158	140.6 Å²	140.6	62%	0.62	70%	0.7	S	S	*	*				-155.2	117.1	83.5	-83.5	-86.9	0	0	0	111.7	T249	T249-Y258 HydrophobicContact CG2-CE2 4.02Å; T249-Y258 WeakPolarHBondContact CG2-OH 3.37Å; T249-Y258 PolarHBondContact OG1-OH 3.22Å; T249-Y258 VanDerWaalsContact OG1-OH 3.12Å
259	Y	34.9	Very low	44.1	Very low	173 Å²	173	136.3 Å²	136.3	68%	0.678	70%	0.696	S	S	*	*			trans	-139	110.6	147.9	-85.4	-85.4	0	0	0	108.5	L219	L219-Y259 HydrophobicContact CD1-CE2 4.48Å; L219-Y259 WeakPolarHBondContact CD1-OH 3.37Å; L219-Y259 HydrophobicContact CD2-CD2 4.41Å; L219-Y259 HydrophobicContact CD2-CE2 3.45Å; L219-Y259 VanDerWaalsContact CD2-CE2 3.45Å; L219-Y259 HydrophobicContact CG-CE2 4.2Å
260	K	31.5	Very low	41.4	Very low	278 Å²	278	144.5 Å²	144.5	100%	1.209	73%	0.734	S	S	*	*			trans	-130.9	0	135.3	-94.2	-166.6	177.6	-176.5	0	106.4

Retrieved 260 of 260 residues in 75.5 ms (Link to these results)

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