A0A3Q0KDJ1_SCHMA Loading...

ADP-ribosyl cyclase/cyclic ADP-ribose hydrolase

AlphaFold DB , UniProt , Accession A0A3Q0KDJ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 302 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.1	Low	53.1	Low	215 Å²	215	125.3 Å²	125.3	100%	1.059	66%	0.659	S	S	*	*				0	5.9	0	-126.4	172.6	74.4	0	0	114.4
2	M	54.2	Low	52.7	Low	160 Å²	160	125.8 Å²	125.8	79%	0.788	66%	0.663	S	S	*	*			trans	-96	-10.7	-173.7	-156.4	146.5	68.2	0	0	114.5
3	N	52.5	Low	52.8	Low	139 Å²	139	123.9 Å²	123.9	74%	0.743	65%	0.652	S	S	*	*	H	α-helix	trans	-90.6	-14.6	179.3	-74	-14.7	0	0	0	114.2
4	V	55.1	Low	52.5	Low	101 Å²	101	128.4 Å²	128.4	61%	0.612	66%	0.664	S	S	*	*	H	α-helix	trans	-79.2	-28.9	178.5	-178.5	0	0	0	0	111.1	L6	V4-L6 PolarHBondContact O-N 3.45Å
5	I	56.3	Low	52.2	Low	110 Å²	110	127.1 Å²	127.1	56%	0.564	66%	0.663	S	S	*	*	H	α-helix	trans	-70	-34.2	-178.8	-58.2	176.1	0	0	0	111.1	F7 L8 T9	I5-F7 PolarHBondContact O-N 2.86Å; I5-L8 PolarHBondContact O-N 3.36Å; I5-T9 PolarHBondContact O-N 3.31Å
6	L	53.3	Low	52.1	Low	119 Å²	119	130.4 Å²	130.4	62%	0.623	67%	0.671	S	S	*	*	H	α-helix	trans	-71.8	-28	-177.5	-139.1	84.6	0	0	0	113.5	V4 T9	V4-L6 PolarHBondContact O-N 3.45Å; L6-T9 PolarHBondContact O-OG1 3.29Å; L6-T9 VanDerWaalsContact O-OG1 3.11Å
7	F	51.4	Low	51.5	Low	161 Å²	161	131.2 Å²	131.2	71%	0.706	68%	0.677	S	S	*	*	H	α-helix	trans	-77.4	-33	176.6	-88.4	-83.8	0	0	0	112.4	I5 T9 L10 S11	I5-F7 PolarHBondContact O-N 2.86Å; F7-T9 VanDerWaalsContact C-N 3.33Å; F7-T9 PolarHBondContact O-N 3.46Å; F7-L10 PolarHBondContact O-N 3.28Å; F7-S11 PolarHBondContact O-N 3.1Å; F7-S11 PolarHBondContact O-OG 3.21Å
8	L	52.4	Low	51.5	Low	105 Å²	105	127.9 Å²	127.9	55%	0.55	67%	0.667	S	S	.	*	H	α-helix	trans	-73.1	-24	178.2	-67.2	174.6	0	0	0	112.9	I5 S11 N12	I5-L8 PolarHBondContact O-N 3.36Å; L8-S11 PolarHBondContact O-OG 3.46Å; L8-N12 PolarHBondContact O-ND2 3.48Å
9	T	53.5	Low	51.4	Low	76 Å²	76	126.3 Å²	126.3	47%	0.466	68%	0.675	S	S	.	*	H	α-helix	trans	-79.7	-30.7	174.8	56.2	0	0	0	0	112.4	I5 L6 F7	I5-T9 PolarHBondContact O-N 3.31Å; L6-T9 PolarHBondContact O-OG1 3.29Å; L6-T9 VanDerWaalsContact O-OG1 3.11Å; F7-T9 VanDerWaalsContact C-N 3.33Å; F7-T9 PolarHBondContact O-N 3.46Å
10	L	52.9	Low	51.6	Low	117 Å²	117	127.9 Å²	127.9	61%	0.613	68%	0.678	S	S	*	*	H	α-helix	trans	-77.6	-29.4	177.8	-72.6	169.2	0	0	0	113.4	F7 N12	F7-L10 PolarHBondContact O-N 3.28Å; L10-N12 VanDerWaalsContact C-N 3.28Å; L10-N12 PolarHBondContact O-N 3.44Å
11	S	51.7	Low	51.9	Low	75 Å²	75	130 Å²	130	52%	0.524	68%	0.683	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.1	-17.4	176.1	58.7	0	0	0	0	113.9	F7 L8	F7-S11 PolarHBondContact O-N 3.1Å; F7-S11 PolarHBondContact O-OG 3.21Å; L8-S11 PolarHBondContact O-OG 3.46Å
12	N	48.5	Very low	52.9	Low	132 Å²	132	124 Å²	124	71%	0.706	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-5.2	-177	-81.7	-56.5	0	0	0	114.6	L8 L10	L8-N12 PolarHBondContact O-ND2 3.48Å; L10-N12 VanDerWaalsContact C-N 3.28Å; L10-N12 PolarHBondContact O-N 3.44Å
13	I	53.3	Low	54.4	Low	101 Å²	101	121.9 Å²	121.9	52%	0.518	64%	0.644	S	S	.	*	S	Bend	trans	-91.6	-15.9	-174.7	-64.2	174.2	0	0	0	113.2
14	F	48.9	Very low	56.2	Low	187 Å²	187	116.6 Å²	116.6	82%	0.82	62%	0.615	S	S	*	*	S	Bend	trans	-126.9	32.6	-170.9	-90.9	-81.7	0	0	0	116.3
15	V	47.7	Very low	58.1	Low	108 Å²	108	115.8 Å²	115.8	66%	0.655	61%	0.607	S	S	*	*			trans	-126.2	56.5	157.7	-162.8	0	0	0	0	109.5	N17	V15-N17 HydrophobicContact CG1-CB 4.04Å; V15-N17 PolarHBondContact O-N 3.35Å
16	F	50.3	Low	59.9	Low	180 Å²	180	110.6 Å²	110.6	79%	0.789	58%	0.58	S	S	*	*			trans	-67.4	73.9	142.9	-80	-84.7	0	0	0	107.2	S18	F16-S18 PolarHBondContact O-N 2.82Å
17	N	43.2	Very low	62	Low	145 Å²	145	105.6 Å²	105.6	78%	0.775	56%	0.555	S	S	*	*			trans	-69.1	64.7	146.2	-93	-24.2	0	0	0	106.1	V15 A19	V15-N17 HydrophobicContact CG1-CB 4.04Å; V15-N17 PolarHBondContact O-N 3.35Å; N17-A19 PolarHBondContact O-N 3.27Å
18	S	50.1	Low	64.1	Low	71 Å²	71	102.8 Å²	102.8	50%	0.497	54%	0.544	S	S	.	.			trans	-63.1	100	153.4	52.4	0	0	0	0	103.9	F16 Q20	F16-S18 PolarHBondContact O-N 2.82Å; S18-Q20 PolarHBondContact O-N 3.07Å
19	A	51.1	Low	66.3	Low	98 Å²	98	99.7 Å²	99.7	81%	0.81	53%	0.528	S	S	*	.			trans	-50.4	89.8	145.6	0	0	0	0	0	104.7	N17 H21	N17-A19 PolarHBondContact O-N 3.27Å; A19-H21 VanDerWaalsContact C-N 3.27Å; A19-H21 PolarHBondContact O-N 3.49Å
20	Q	55.3	Low	68.4	Low	157 Å²	157	96.1 Å²	96.1	73%	0.734	51%	0.506	S	S	*	.			trans	-64.4	100.3	-175.8	-164.8	154.6	-34.5	0	0	103.6	S18 Q22	S18-Q20 PolarHBondContact O-N 3.07Å; Q20-Q22 PolarHBondContact O-N 2.86Å
21	H	57.7	Low	70.6	Confident	172 Å²	172	93 Å²	93	80%	0.796	49%	0.489	S	S	*	.			trans	-57.5	101.2	172.3	-176.3	70.3	0	0	0	104.8	A19 I23	A19-H21 VanDerWaalsContact C-N 3.27Å; A19-H21 PolarHBondContact O-N 3.49Å; H21-I23 PolarHBondContact O-N 3.11Å; H21-I23 VanDerWaalsContact O-N 3.15Å
22	Q	71.9	Confident	72.8	Confident	90 Å²	90	92.7 Å²	92.7	42%	0.421	49%	0.486	S	S	.	.			trans	-68.5	119.4	-176.7	-75.8	-170.9	-23.6	0	0	106.4	Q20 N24 G143 N144	Q20-Q22 PolarHBondContact O-N 2.86Å; Q22-N24 PolarHBondContact O-N 3.4Å; Q22-G143 WeakPolarHBondContact O-CA 3.39Å; Q22-N144 PolarHBondContact OE1-ND2 3.47Å
23	I	86.3	Confident	75.2	Confident	116 Å²	116	88.5 Å²	88.5	60%	0.595	46%	0.46	S	S	*	.			trans	-58.2	133.1	-179.5	-62.6	169.1	0	0	0	108.2	H21 L25 E28	H21-I23 PolarHBondContact O-N 3.11Å; H21-I23 VanDerWaalsContact O-N 3.15Å; I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.31Å; I23-E28 HydrophobicContact CG2-CG 4.09Å
24	N	89.6	Confident	77.3	Confident	27 Å²	27	83.7 Å²	83.7	14%	0.144	44%	0.436	C	S	.	.			trans	-76.8	82.9	173.1	-177.6	6.6	0	0	0	110.1	Q22 L26 S27 E28 Y147	Q22-N24 PolarHBondContact O-N 3.4Å; N24-L26 PolarHBondContact O-N 3.37Å; N24-L26 WeakPolarHBondContact OD1-CB 3.47Å; N24-L26 PolarHBondContact OD1-N 3.14Å; N24-S27 PolarHBondContact O-N 3.46Å; N24-S27 VanDerWaalsContact O-N 3.12Å; N24-E28 PolarHBondContact O-N 3.37Å; N24-Y147 PolarHBondContact ND2-OH 3.14Å
25	L	94.3	Very high	79.7	Confident	85 Å²	85	78.2 Å²	78.2	45%	0.445	42%	0.418	S	S	.	.	H	α-helix	trans	-61.1	-26.8	-177.9	-176.5	62.3	0	0	0	112.4	I23 E28 I29 L141	I23-L25 VanDerWaalsContact C-N 3.28Å; I23-L25 PolarHBondContact O-N 3.31Å; L25-E28 HydrophobicContact CD1-CB 4.49Å; L25-E28 PolarHBondContact O-N 3.2Å; L25-I29 HydrophobicContact CD1-CD1 4.06Å; L25-I29 HydrophobicContact CD1-CG1 3.95Å; L25-I29 HydrophobicContact CD2-CD1 4.14Å; L25-I29 HydrophobicContact CG-CD1 3.65Å; L25-I29 HydrophobicContact CG-CG1 4.04Å; L25-I29 WeakPolarHBondContact O-CB 3.38Å; L25-I29 VanDerWaalsContact O-CG1 3.23Å; L25-I29 WeakPolarHBondContact O-CG1 3.45Å; L25-I29 PolarHBondContact O-N 3.2Å; L25-L141 CarbonylContact C-O 3.58Å; L25-L141 HydrophobicContact CB-CD1 4.18Å; L25-L141 HydrophobicContact CD2-CD1 4.1Å; L25-L141 HydrophobicContact CG-CD1 4.05Å; L25-L141 PolarHBondContact N-O 2.9Å; L25-L141 VanDerWaalsContact N-O 3.07Å
26	L	95.2	Very high	82	Confident	0 Å²	0	77.7 Å²	77.7	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-56.6	-51.9	172.5	179.4	63.7	0	0	0	111.4	N24 I29 V30 W52 L134 W136 L141 T142 Y147	N24-L26 PolarHBondContact O-N 3.37Å; N24-L26 WeakPolarHBondContact OD1-CB 3.47Å; N24-L26 PolarHBondContact OD1-N 3.14Å; L26-I29 PolarHBondContact O-N 3.48Å; L26-V30 HydrophobicContact CD1-CG2 4.35Å; L26-V30 VanDerWaalsContact O-CG2 3.32Å; L26-V30 WeakPolarHBondContact O-CG2 3.17Å; L26-V30 PolarHBondContact O-N 3.47Å; L26-W52 HydrophobicContact CB-CH2 4.32Å; L26-W52 HydrophobicContact CD2-CH2 3.77Å; L26-W52 HydrophobicContact CD2-CZ3 4.21Å; L26-W52 HydrophobicContact CG-CH2 3.72Å; L26-W52 HydrophobicContact CG-CZ3 3.84Å; L26-L134 HydrophobicContact CD1-CB 4.11Å; L26-L134 HydrophobicContact CD1-CD1 3.88Å; L26-W136 HydrophobicContact CD1-CB 4.28Å; L26-W136 HydrophobicContact CD2-CB 3.36Å; L26-W136 HydrophobicContact CD2-CG 4.41Å; L26-W136 HydrophobicContact CG-CB 4.46Å; L26-L141 HydrophobicContact CB-CD2 4.45Å; L26-L141 HydrophobicContact CB-CG 4.03Å; L26-L141 HydrophobicContact CD1-CD2 4Å; L26-L141 HydrophobicContact CD1-CG 4.49Å; L26-L141 PolarHBondContact N-O 3.18Å; L26-T142 HydrophobicContact CD2-CG2 4.21Å; L26-Y147 HydrophobicContact CD2-CD2 4.23Å; L26-Y147 HydrophobicContact CD2-CE2 3.85Å
27	S	96	Very high	84.1	Confident	14 Å²	14	69.3 Å²	69.3	10%	0.098	37%	0.372	C	S	.	.	H	α-helix	trans	-60.8	-47.4	179.5	-174.2	0	0	0	0	111	N24 I29 V30 Q31 W52	N24-S27 PolarHBondContact O-N 3.46Å; N24-S27 VanDerWaalsContact O-N 3.12Å; S27-I29 PolarHBondContact O-N 3.34Å; S27-V30 PolarHBondContact O-N 2.69Å; S27-Q31 WeakPolarHBondContact O-CB 3.47Å; S27-Q31 WeakPolarHBondContact O-CG 3.37Å; S27-Q31 PolarHBondContact O-N 3.34Å; S27-Q31 PolarHBondContact OG-NE2 3.26Å; S27-W52 VanDerWaalsContact CB-CZ2 3.4Å; S27-W52 PolarHBondContact OG-NE1 2.95Å; S27-W52 VanDerWaalsContact OG-NE1 3.12Å
28	E	96.3	Very high	86.6	Confident	102 Å²	102	64.9 Å²	64.9	48%	0.477	35%	0.345	S	S	.	.	H	α-helix	trans	-60.7	-44.6	-179.7	-69.1	-66.7	178.1	0	0	112.2	I23 N24 L25 S32	I23-E28 HydrophobicContact CG2-CG 4.09Å; N24-E28 PolarHBondContact O-N 3.37Å; L25-E28 HydrophobicContact CD1-CB 4.49Å; L25-E28 PolarHBondContact O-N 3.2Å; E28-S32 WeakPolarHBondContact O-CB 3.35Å; E28-S32 PolarHBondContact O-N 3.32Å; E28-S32 PolarHBondContact O-OG 3.49Å
29	I	98.1	Very high	88.7	Confident	41 Å²	41	67 Å²	67	21%	0.21	36%	0.355	C	S	.	.	H	α-helix	trans	-64.5	-48	178.6	-69.9	168.3	0	0	0	110.6	L25 L26 S27 Q31 S32 R33 L134 L141	L25-I29 HydrophobicContact CD1-CD1 4.06Å; L25-I29 HydrophobicContact CD1-CG1 3.95Å; L25-I29 HydrophobicContact CD2-CD1 4.14Å; L25-I29 HydrophobicContact CG-CD1 3.65Å; L25-I29 HydrophobicContact CG-CG1 4.04Å; L25-I29 WeakPolarHBondContact O-CB 3.38Å; L25-I29 VanDerWaalsContact O-CG1 3.23Å; L25-I29 WeakPolarHBondContact O-CG1 3.45Å; L25-I29 PolarHBondContact O-N 3.2Å; L26-I29 PolarHBondContact O-N 3.48Å; S27-I29 PolarHBondContact O-N 3.34Å; I29-Q31 PolarHBondContact O-N 3.45Å; I29-S32 PolarHBondContact O-N 3.17Å; I29-R33 HydrophobicContact CG2-CG 4.22Å; I29-R33 VanDerWaalsContact O-CB 3.32Å; I29-R33 WeakPolarHBondContact O-CB 2.91Å; I29-R33 VanDerWaalsContact O-CG 3.26Å; I29-R33 WeakPolarHBondContact O-CG 3.12Å; I29-R33 PolarHBondContact O-N 3.19Å; I29-L134 HydrophobicContact CD1-CD2 4.1Å; I29-L134 HydrophobicContact CG2-CD1 3.98Å; I29-L134 HydrophobicContact CG2-CD2 3.94Å; I29-L141 HydrophobicContact CD1-CD1 3.95Å
30	V	98.5	Very high	90.6	Very high	1 Å²	1	67.7 Å²	67.7	1%	0.006	34%	0.341	C	S	.	.	H	α-helix	trans	-63.1	-45.1	-178	172.6	0	0	0	0	110.8	L26 S27 C34 W52 F131 L134	L26-V30 HydrophobicContact CD1-CG2 4.35Å; L26-V30 VanDerWaalsContact O-CG2 3.32Å; L26-V30 WeakPolarHBondContact O-CG2 3.17Å; L26-V30 PolarHBondContact O-N 3.47Å; S27-V30 PolarHBondContact O-N 2.69Å; V30-C34 WeakPolarHBondContact O-CB 3.23Å; V30-C34 PolarHBondContact O-N 3.01Å; V30-W52 HydrophobicContact CB-CE3 4.02Å; V30-W52 HydrophobicContact CB-CZ3 4.34Å; V30-W52 HydrophobicContact CG1-CE3 4.09Å; V30-W52 HydrophobicContact CG2-CE3 4.4Å; V30-W52 HydrophobicContact CG2-CZ3 4.24Å; V30-F131 HydrophobicContact CG1-CE1 4.22Å; V30-F131 HydrophobicContact CG1-CZ 4.04Å; V30-F131 HydrophobicContact CG2-CD1 4.03Å; V30-F131 HydrophobicContact CG2-CE1 3.74Å; V30-F131 HydrophobicContact CG2-CZ 4.38Å; V30-L134 HydrophobicContact CG2-CD1 3.65Å
31	Q	98.3	Very high	92.2	Very high	52 Å²	52	63 Å²	63	24%	0.243	32%	0.319	C	S	.	.	H	α-helix	trans	-68.9	-38.5	179.5	-69.3	-171.7	78.3	0	0	112.4	S27 I29 C34 T35 W52	S27-Q31 WeakPolarHBondContact O-CB 3.47Å; S27-Q31 WeakPolarHBondContact O-CG 3.37Å; S27-Q31 PolarHBondContact O-N 3.34Å; S27-Q31 PolarHBondContact OG-NE2 3.26Å; I29-Q31 PolarHBondContact O-N 3.45Å; Q31-C34 PolarHBondContact O-N 2.59Å; Q31-T35 PolarHBondContact O-N 3.18Å; Q31-T35 PolarHBondContact O-OG1 3.33Å; Q31-W52 HydrophobicContact CG-CB 3.74Å; Q31-W52 HydrophobicContact CG-CG 4.17Å
32	S	98.3	Very high	93.7	Very high	68 Å²	68	57.6 Å²	57.6	48%	0.476	31%	0.31	S	S	.	.	H	α-helix	trans	-65.3	-45.5	175.5	-64.9	0	0	0	0	111.6	E28 I29 C34 T35 Q36	E28-S32 WeakPolarHBondContact O-CB 3.35Å; E28-S32 PolarHBondContact O-N 3.32Å; E28-S32 PolarHBondContact O-OG 3.49Å; I29-S32 PolarHBondContact O-N 3.17Å; S32-C34 PolarHBondContact O-N 2.75Å; S32-T35 WeakPolarHBondContact O-CB 3.49Å; S32-T35 PolarHBondContact O-N 2.97Å; S32-Q36 PolarHBondContact O-N 3.2Å
33	R	98.2	Very high	94.6	Very high	43 Å²	43	53.5 Å²	53.5	16%	0.162	29%	0.292	C	S	.	.	H	α-helix	trans	-59.1	-47.8	173.3	-75.3	174.2	175.1	-174.6	-0.8	110.6	I29 T35 Q36 W37 Y129 L130 D132	I29-R33 HydrophobicContact CG2-CG 4.22Å; I29-R33 VanDerWaalsContact O-CB 3.32Å; I29-R33 WeakPolarHBondContact O-CB 2.91Å; I29-R33 VanDerWaalsContact O-CG 3.26Å; I29-R33 WeakPolarHBondContact O-CG 3.12Å; I29-R33 PolarHBondContact O-N 3.19Å; R33-T35 VanDerWaalsContact C-N 3.27Å; R33-T35 PolarHBondContact O-N 2.87Å; R33-Q36 PolarHBondContact O-N 2.67Å; R33-Q36 VanDerWaalsContact O-N 3.16Å; R33-W37 WeakPolarHBondContact O-CB 3.33Å; R33-W37 PolarHBondContact O-N 3.35Å; R33-Y129 HydrophobicContact CB-CD1 4.25Å; R33-Y129 HydrophobicContact CB-CE1 3.69Å; R33-Y129 WeakPolarHBondContact CD-O 3.46Å; R33-Y129 HydrophobicContact CG-CE1 4.22Å; R33-Y129 PolarHBondContact NH1-O 3.16Å; R33-Y129 VanDerWaalsContact O-CE1 3.31Å; R33-Y129 WeakPolarHBondContact O-CE1 3.46Å; R33-L130 HydrophobicContact CB-CD2 4.06Å; R33-L130 WeakPolarHBondContact CD-O 3.33Å; R33-L130 PolarHBondContact NH1-O 2.73Å; R33-D132 PolarHBondContact NH1-O 3.05Å; R33-D132 PolarHBondContact NH2-O 2.76Å
34	C	98.5	Very high	94.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-54.6	-45	175.2	171	0	0	0	0	112.1	V30 Q31 S32 W37 K38 C48 L130	V30-C34 WeakPolarHBondContact O-CB 3.23Å; V30-C34 PolarHBondContact O-N 3.01Å; Q31-C34 PolarHBondContact O-N 2.59Å; S32-C34 PolarHBondContact O-N 2.75Å; C34-W37 PolarHBondContact O-N 2.85Å; C34-K38 VanDerWaalsContact O-CG 3.29Å; C34-K38 WeakPolarHBondContact O-CG 3.35Å; C34-K38 PolarHBondContact O-N 2.75Å; C34-C48 HydrophobicContact CB-CB 3.66Å; C34-C48 WeakPolarHBondContact CB-SG 3.45Å; C34-C48 WeakPolarHBondContact SG-CA 3.3Å; C34-C48 WeakPolarHBondContact SG-CB 3.19Å; C34-C48 CovalentContact SG-SG 2.04Å; C34-C48 PolarHBondContact SG-SG 2.81Å; C34-L130 HydrophobicContact CB-CD2 3.65Å
35	T	98	Very high	94.6	Very high	73 Å²	73	59 Å²	59	45%	0.448	33%	0.327	S	S	.	.	H	α-helix	trans	-63.1	-44.1	178.4	-60.5	0	0	0	0	111.7	Q31 S32 R33 K38 V39 C48	Q31-T35 PolarHBondContact O-N 3.18Å; Q31-T35 PolarHBondContact O-OG1 3.33Å; S32-T35 WeakPolarHBondContact O-CB 3.49Å; S32-T35 PolarHBondContact O-N 2.97Å; R33-T35 VanDerWaalsContact C-N 3.27Å; R33-T35 PolarHBondContact O-N 2.87Å; T35-K38 WeakPolarHBondContact O-CB 3.41Å; T35-K38 PolarHBondContact O-N 2.03Å; T35-V39 WeakPolarHBondContact O-CG2 3.18Å; T35-V39 PolarHBondContact O-N 3.28Å; T35-C48 PolarHBondContact N-SG 3.11Å; T35-C48 VanDerWaalsContact N-SG 3.4Å
36	Q	96.8	Very high	94.6	Very high	96 Å²	96	55.2 Å²	55.2	45%	0.449	31%	0.307	S	S	.	.	H	α-helix	trans	-61.4	-48.3	175.8	179.9	177.4	-8.8	0	0	111.7	S32 R33 K38 V39 E40 Y129	S32-Q36 PolarHBondContact O-N 3.2Å; R33-Q36 PolarHBondContact O-N 2.67Å; R33-Q36 VanDerWaalsContact O-N 3.16Å; Q36-K38 VanDerWaalsContact C-N 3.27Å; Q36-K38 PolarHBondContact O-N 2.84Å; Q36-V39 PolarHBondContact O-N 3.24Å; Q36-V39 VanDerWaalsContact O-N 3.08Å; Q36-E40 HydrophobicContact CG-CG 4.42Å; Q36-E40 VanDerWaalsContact CG-OE1 3.28Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.36Å; Q36-E40 PolarHBondContact NE2-OE1 2.79Å; Q36-E40 WeakPolarHBondContact O-CG 3.32Å; Q36-E40 PolarHBondContact O-N 3.18Å; Q36-Y129 PolarHBondContact OE1-OH 2.61Å; Q36-Y129 VanDerWaalsContact OE1-OH 3.08Å
37	W	95.1	Very high	94.6	Very high	5 Å²	5	57 Å²	57	2%	0.019	32%	0.319	C	S	.	.	H	α-helix	trans	-58.2	-41.6	179.4	-172.4	92.6	0	0	0	111.5	R33 C34 V39 E40 H41 A43 I46 E86 Q89 F126 Y129	R33-W37 WeakPolarHBondContact O-CB 3.33Å; R33-W37 PolarHBondContact O-N 3.35Å; C34-W37 PolarHBondContact O-N 2.85Å; W37-V39 VanDerWaalsContact C-N 3.35Å; W37-V39 PolarHBondContact O-N 3.38Å; W37-E40 PolarHBondContact O-N 3.4Å; W37-H41 AromaticContact CD1-CE1 3.56Å; W37-H41 AromaticContact CD1-ND1 3.7Å; W37-H41 HydrophobicContact CD2-CB 4.5Å; W37-H41 AromaticContact CD2-ND1 3.65Å; W37-H41 AromaticContact CE2-CE1 3.67Å; W37-H41 AromaticContact CE2-CG 3.75Å; W37-H41 AromaticContact CE2-ND1 3.49Å; W37-H41 AromaticContact CE2-NE2 3.98Å; W37-H41 HydrophobicContact CE3-CB 4.34Å; W37-H41 AromaticContact CG-ND1 3.79Å; W37-H41 HydrophobicContact CH2-CB 4.07Å; W37-H41 HydrophobicContact CZ2-CB 4.23Å; W37-H41 AromaticContact CZ2-CD2 3.85Å; W37-H41 AromaticContact CZ2-CG 3.77Å; W37-H41 HydrophobicContact CZ3-CB 4.11Å; W37-H41 AromaticContact NE1-CE1 3.27Å; W37-H41 PolarHBondContact NE1-CE1 3.1Å; W37-H41 VanDerWaalsContact NE1-CE1 3.27Å; W37-H41 AromaticContact NE1-ND1 3.53Å; W37-H41 AromaticContact NE1-NE2 3.71Å; W37-H41 WeakPolarHBondContact O-CB 3.4Å; W37-H41 PolarHBondContact O-N 3.3Å; W37-H41 PolarHBondContact O-ND1 2.78Å; W37-A43 HydrophobicContact CE3-CB 4.44Å; W37-A43 HydrophobicContact CZ3-CB 3.81Å; W37-I46 HydrophobicContact CE3-CD1 4.07Å; W37-I46 HydrophobicContact CH2-CD1 4.47Å; W37-I46 HydrophobicContact CZ3-CD1 3.51Å; W37-E86 HydrophobicContact CZ2-CB 4.37Å; W37-E86 HydrophobicContact CZ2-CG 4.09Å; W37-Q89 HydrophobicContact CH2-CB 4.03Å; W37-Q89 HydrophobicContact CH2-CG 3.95Å; W37-Q89 HydrophobicContact CZ3-CG 4.15Å; W37-F126 HydrophobicContact CB-CD2 4.28Å; W37-F126 HydrophobicContact CB-CE2 4.09Å; W37-F126 AromaticContact CD1-CD2 3.87Å; W37-F126 AromaticContact CD2-CD2 3.44Å; W37-F126 HydrophobicContact CD2-CD2 3.44Å; W37-F126 VanDerWaalsContact CD2-CD2 3.44Å; W37-F126 AromaticContact CD2-CE2 3.71Å; W37-F126 HydrophobicContact CD2-CE2 3.71Å; W37-F126 HydrophobicContact CD2-CG 4.24Å; W37-F126 AromaticContact CE2-CD2 3.69Å; W37-F126 AromaticContact CE3-CD2 3.9Å; W37-F126 HydrophobicContact CE3-CD2 3.9Å; W37-F126 AromaticContact CE3-CE2 3.8Å; W37-F126 HydrophobicContact CE3-CE2 3.8Å; W37-F126 HydrophobicContact CE3-CZ 4.38Å; W37-F126 AromaticContact CG-CD2 3.6Å; W37-F126 HydrophobicContact CG-CD2 3.6Å; W37-F126 AromaticContact CG-CE2 3.84Å; W37-F126 HydrophobicContact CG-CE2 3.84Å; W37-F126 HydrophobicContact CZ2-CB 4.21Å; W37-F126 HydrophobicContact CZ2-CD2 4.35Å; W37-F126 HydrophobicContact CZ2-CG 4.36Å; W37-F126 AromaticContact NE1-CD2 3.91Å; W37-Y129 HydrophobicContact CB-CD1 4.02Å; W37-Y129 HydrophobicContact CB-CE1 3.83Å; W37-Y129 AromaticContact CD1-CD1 3.89Å; W37-Y129 HydrophobicContact CG-CD1 4.3Å
38	K	94.4	Very high	94.7	Very high	52 Å²	52	57 Å²	57	23%	0.226	32%	0.319	C	S	.	.	H	α-helix	trans	-58.2	-45.3	175.3	-75.4	172.1	61	177.7	0	112.5	C34 T35 Q36 H41 G42 A43 I46 C48	C34-K38 VanDerWaalsContact O-CG 3.29Å; C34-K38 WeakPolarHBondContact O-CG 3.35Å; C34-K38 PolarHBondContact O-N 2.75Å; T35-K38 WeakPolarHBondContact O-CB 3.41Å; T35-K38 PolarHBondContact O-N 2.03Å; Q36-K38 VanDerWaalsContact C-N 3.27Å; Q36-K38 PolarHBondContact O-N 2.84Å; K38-H41 PolarHBondContact O-N 2.97Å; K38-G42 CarbonylContact O-C 3.32Å; K38-G42 WeakPolarHBondContact O-CA 3.35Å; K38-G42 PolarHBondContact O-N 3.46Å; K38-A43 HydrophobicContact CB-CB 4.42Å; K38-A43 WeakPolarHBondContact CB-O 3.49Å; K38-A43 WeakPolarHBondContact CE-O 3.24Å; K38-A43 HydrophobicContact CG-CB 4.3Å; K38-A43 PolarHBondContact O-N 3.45Å; K38-I46 HydrophobicContact CD-CB 3.84Å; K38-I46 HydrophobicContact CD-CG2 3.97Å; K38-I46 WeakPolarHBondContact CD-O 3.4Å; K38-I46 VanDerWaalsContact CE-O 3.22Å; K38-I46 WeakPolarHBondContact CE-O 2.96Å; K38-I46 HydrophobicContact CG-CB 3.9Å; K38-I46 HydrophobicContact CG-CD1 4.41Å; K38-I46 HydrophobicContact CG-CG2 4.12Å; K38-I46 PolarHBondContact NZ-O 2.98Å; K38-C48 VanDerWaalsContact CD-SG 3.53Å
39	V	94.1	Very high	94.8	Very high	116 Å²	116	54.8 Å²	54.8	70%	0.703	32%	0.315	S	S	*	.	H	α-helix	trans	-64.8	-46.3	179.4	172.5	0	0	0	0	110.4	T35 Q36 W37 H41 G42	T35-V39 WeakPolarHBondContact O-CG2 3.18Å; T35-V39 PolarHBondContact O-N 3.28Å; Q36-V39 PolarHBondContact O-N 3.24Å; Q36-V39 VanDerWaalsContact O-N 3.08Å; W37-V39 VanDerWaalsContact C-N 3.35Å; W37-V39 PolarHBondContact O-N 3.38Å; V39-H41 VanDerWaalsContact C-N 3.27Å; V39-H41 PolarHBondContact O-N 3.46Å; V39-G42 PolarHBondContact O-N 3.36Å
40	E	90.9	Very high	94.8	Very high	111 Å²	111	59.1 Å²	59.1	52%	0.519	33%	0.334	S	S	.	.	H	α-helix	trans	-63.3	-31.3	-179.5	-70.7	171.5	179.8	0	0	113.1	Q36 W37	Q36-E40 HydrophobicContact CG-CG 4.42Å; Q36-E40 VanDerWaalsContact CG-OE1 3.28Å; Q36-E40 WeakPolarHBondContact CG-OE1 3.36Å; Q36-E40 PolarHBondContact NE2-OE1 2.79Å; Q36-E40 WeakPolarHBondContact O-CG 3.32Å; Q36-E40 PolarHBondContact O-N 3.18Å; W37-E40 PolarHBondContact O-N 3.4Å
41	H	90.1	Very high	94.8	Very high	59 Å²	59	59.8 Å²	59.8	27%	0.273	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	5.6	-176.4	-62.1	77.1	0	0	0	113.8	W37 K38 V39 A43	W37-H41 AromaticContact CD1-CE1 3.56Å; W37-H41 AromaticContact CD1-ND1 3.7Å; W37-H41 HydrophobicContact CD2-CB 4.5Å; W37-H41 AromaticContact CD2-ND1 3.65Å; W37-H41 AromaticContact CE2-CE1 3.67Å; W37-H41 AromaticContact CE2-CG 3.75Å; W37-H41 AromaticContact CE2-ND1 3.49Å; W37-H41 AromaticContact CE2-NE2 3.98Å; W37-H41 HydrophobicContact CE3-CB 4.34Å; W37-H41 AromaticContact CG-ND1 3.79Å; W37-H41 HydrophobicContact CH2-CB 4.07Å; W37-H41 HydrophobicContact CZ2-CB 4.23Å; W37-H41 AromaticContact CZ2-CD2 3.85Å; W37-H41 AromaticContact CZ2-CG 3.77Å; W37-H41 HydrophobicContact CZ3-CB 4.11Å; W37-H41 AromaticContact NE1-CE1 3.27Å; W37-H41 PolarHBondContact NE1-CE1 3.1Å; W37-H41 VanDerWaalsContact NE1-CE1 3.27Å; W37-H41 AromaticContact NE1-ND1 3.53Å; W37-H41 AromaticContact NE1-NE2 3.71Å; W37-H41 WeakPolarHBondContact O-CB 3.4Å; W37-H41 PolarHBondContact O-N 3.3Å; W37-H41 PolarHBondContact O-ND1 2.78Å; K38-H41 PolarHBondContact O-N 2.97Å; V39-H41 VanDerWaalsContact C-N 3.27Å; V39-H41 PolarHBondContact O-N 3.46Å; H41-A43 PolarHBondContact O-N 2.61Å
42	G	90.1	Very high	94.8	Very high	58 Å²	58	57.6 Å²	57.6	60%	0.598	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	23.4	-178.6	0	0	0	0	0	114.8	K38 V39 T44	K38-G42 CarbonylContact O-C 3.32Å; K38-G42 WeakPolarHBondContact O-CA 3.35Å; K38-G42 PolarHBondContact O-N 3.46Å; V39-G42 PolarHBondContact O-N 3.36Å; G42-T44 PolarHBondContact O-N 3.14Å
43	A	89.9	Confident	94.7	Very high	4 Å²	4	58.6 Å²	58.6	3%	0.033	33%	0.327	C	S	.	.			trans	-83.9	108.7	-174.4	0	0	0	0	0	111.8	W37 K38 H41 I46 Q89	W37-A43 HydrophobicContact CE3-CB 4.44Å; W37-A43 HydrophobicContact CZ3-CB 3.81Å; K38-A43 HydrophobicContact CB-CB 4.42Å; K38-A43 WeakPolarHBondContact CB-O 3.49Å; K38-A43 WeakPolarHBondContact CE-O 3.24Å; K38-A43 HydrophobicContact CG-CB 4.3Å; K38-A43 PolarHBondContact O-N 3.45Å; H41-A43 PolarHBondContact O-N 2.61Å; A43-I46 HydrophobicContact CB-CD1 3.8Å; A43-I46 HydrophobicContact CB-CG1 4.29Å; A43-Q89 HydrophobicContact CB-CG 3.78Å
44	T	87.2	Confident	94.7	Very high	113 Å²	113	58.5 Å²	58.5	69%	0.693	33%	0.333	S	S	*	.			trans	-89.3	-33.7	-179.3	53.3	0	0	0	0	113.4	G42 I46	G42-T44 PolarHBondContact O-N 3.14Å; T44-I46 VanDerWaalsContact C-N 3.28Å; T44-I46 PolarHBondContact O-N 2.79Å
45	N	88	Confident	94.5	Very high	146 Å²	146	58.5 Å²	58.5	78%	0.781	33%	0.333	S	S	*	.	S	Bend	trans	-88.2	22.8	-171.2	-66	-12.1	0	0	0	114.5
46	I	93.9	Very high	94.3	Very high	6 Å²	6	57.1 Å²	57.1	3%	0.031	32%	0.322	C	S	.	.			trans	-107.3	122.3	178.3	-64.6	-179.9	0	0	0	109.6	W37 K38 A43 T44 I51 L85 F126	W37-I46 HydrophobicContact CE3-CD1 4.07Å; W37-I46 HydrophobicContact CH2-CD1 4.47Å; W37-I46 HydrophobicContact CZ3-CD1 3.51Å; K38-I46 HydrophobicContact CD-CB 3.84Å; K38-I46 HydrophobicContact CD-CG2 3.97Å; K38-I46 WeakPolarHBondContact CD-O 3.4Å; K38-I46 VanDerWaalsContact CE-O 3.22Å; K38-I46 WeakPolarHBondContact CE-O 2.96Å; K38-I46 HydrophobicContact CG-CB 3.9Å; K38-I46 HydrophobicContact CG-CD1 4.41Å; K38-I46 HydrophobicContact CG-CG2 4.12Å; K38-I46 PolarHBondContact NZ-O 2.98Å; A43-I46 HydrophobicContact CB-CD1 3.8Å; A43-I46 HydrophobicContact CB-CG1 4.29Å; T44-I46 VanDerWaalsContact C-N 3.28Å; T44-I46 PolarHBondContact O-N 2.79Å; I46-I51 HydrophobicContact CG2-CD1 3.52Å; I46-L85 HydrophobicContact CD1-CB 4.49Å; I46-L85 HydrophobicContact CG1-CD2 4.43Å; I46-F126 HydrophobicContact CD1-CE1 4.41Å; I46-F126 HydrophobicContact CD1-CZ 4.36Å; I46-F126 HydrophobicContact CG2-CZ 4.31Å
47	S	96.7	Very high	94.1	Very high	38 Å²	38	55.8 Å²	55.8	27%	0.266	32%	0.323	S	S	.	.			trans	-96.5	105.4	174.3	-178.7	0	0	0	0	110	S49 E50 I51	S47-S49 VanDerWaalsContact C-N 3.32Å; S47-S49 PolarHBondContact O-N 3.3Å; S47-S49 PolarHBondContact OG-OG 3.49Å; S47-E50 VanDerWaalsContact CB-OE1 3.29Å; S47-E50 WeakPolarHBondContact CB-OE1 3.4Å; S47-E50 PolarHBondContact O-N 3.28Å; S47-E50 VanDerWaalsContact OG-CG 3.27Å; S47-E50 WeakPolarHBondContact OG-CG 3Å; S47-E50 PolarHBondContact OG-OE1 3Å; S47-I51 PolarHBondContact O-N 3.4Å
48	C	98.2	Very high	93.9	Very high	13 Å²	13	56.6 Å²	56.6	9%	0.088	33%	0.327	C	S	.	.	H	α-helix	trans	-68.1	-32.5	-175.7	-64.6	0	0	0	0	112.9	C34 T35 K38 W52	C34-C48 HydrophobicContact CB-CB 3.66Å; C34-C48 WeakPolarHBondContact CB-SG 3.45Å; C34-C48 WeakPolarHBondContact SG-CA 3.3Å; C34-C48 WeakPolarHBondContact SG-CB 3.19Å; C34-C48 CovalentContact SG-SG 2.04Å; C34-C48 PolarHBondContact SG-SG 2.81Å; T35-C48 PolarHBondContact N-SG 3.11Å; T35-C48 VanDerWaalsContact N-SG 3.4Å; K38-C48 VanDerWaalsContact CD-SG 3.53Å; C48-W52 WeakPolarHBondContact O-CB 3.48Å; C48-W52 PolarHBondContact O-N 3.37Å
49	S	97.8	Very high	93.5	Very high	56 Å²	56	54.2 Å²	54.2	39%	0.392	32%	0.317	S	S	.	.	H	α-helix	trans	-67.8	-38.5	173.2	52.4	0	0	0	0	111.6	S47 W52 N53	S47-S49 VanDerWaalsContact C-N 3.32Å; S47-S49 PolarHBondContact O-N 3.3Å; S47-S49 PolarHBondContact OG-OG 3.49Å; S49-W52 PolarHBondContact O-N 3.21Å; S49-N53 VanDerWaalsContact O-CB 3.31Å; S49-N53 WeakPolarHBondContact O-CB 3.14Å; S49-N53 PolarHBondContact O-N 3.31Å; S49-N53 PolarHBondContact O-ND2 3.44Å; S49-N53 PolarHBondContact O-OD1 3.07Å
50	E	98.1	Very high	93.1	Very high	132 Å²	132	52.7 Å²	52.7	62%	0.617	30%	0.304	S	S	*	.	H	α-helix	trans	-66.7	-41.9	174.7	-74.5	164.4	-140.9	0	0	112.4	S47 W52 N53 S54	S47-E50 VanDerWaalsContact CB-OE1 3.29Å; S47-E50 WeakPolarHBondContact CB-OE1 3.4Å; S47-E50 PolarHBondContact O-N 3.28Å; S47-E50 VanDerWaalsContact OG-CG 3.27Å; S47-E50 WeakPolarHBondContact OG-CG 3Å; S47-E50 PolarHBondContact OG-OE1 3Å; E50-W52 VanDerWaalsContact C-N 3.31Å; E50-W52 PolarHBondContact O-N 3.16Å; E50-N53 PolarHBondContact O-N 3.13Å; E50-S54 VanDerWaalsContact O-CB 3.3Å; E50-S54 WeakPolarHBondContact O-CB 3.15Å; E50-S54 PolarHBondContact O-N 2.86Å
51	I	98.2	Very high	92.7	Very high	14 Å²	14	50.3 Å²	50.3	7%	0.072	30%	0.3	C	S	.	.	H	α-helix	trans	-58	-47.5	173.5	-73.3	174.5	0	0	0	110.2	I46 S47 S54 F55 F78 L82 L85 F126 L130	I46-I51 HydrophobicContact CG2-CD1 3.52Å; S47-I51 PolarHBondContact O-N 3.4Å; I51-S54 PolarHBondContact O-N 3.45Å; I51-F55 PolarHBondContact O-N 3.28Å; I51-F78 HydrophobicContact CG2-CE2 4.33Å; I51-F78 HydrophobicContact CG2-CZ 4.2Å; I51-L82 HydrophobicContact CD1-CD2 3.91Å; I51-L82 HydrophobicContact CG1-CD2 4.1Å; I51-L82 HydrophobicContact CG2-CD2 4Å; I51-L85 HydrophobicContact CD1-CD1 4.12Å; I51-F126 HydrophobicContact CD1-CE1 3.77Å; I51-F126 HydrophobicContact CD1-CZ 3.7Å; I51-L130 HydrophobicContact CG2-CD1 4.05Å
52	W	97.9	Very high	91.7	Very high	7 Å²	7	48.2 Å²	48.2	3%	0.027	29%	0.291	C	S	.	.	H	α-helix	trans	-61	-50.5	177.1	171.3	-102.2	0	0	0	112	L26 S27 V30 Q31 C48 S49 E50 S54 F55 E56 Y147	L26-W52 HydrophobicContact CB-CH2 4.32Å; L26-W52 HydrophobicContact CD2-CH2 3.77Å; L26-W52 HydrophobicContact CD2-CZ3 4.21Å; L26-W52 HydrophobicContact CG-CH2 3.72Å; L26-W52 HydrophobicContact CG-CZ3 3.84Å; S27-W52 VanDerWaalsContact CB-CZ2 3.4Å; S27-W52 PolarHBondContact OG-NE1 2.95Å; S27-W52 VanDerWaalsContact OG-NE1 3.12Å; V30-W52 HydrophobicContact CB-CE3 4.02Å; V30-W52 HydrophobicContact CB-CZ3 4.34Å; V30-W52 HydrophobicContact CG1-CE3 4.09Å; V30-W52 HydrophobicContact CG2-CE3 4.4Å; V30-W52 HydrophobicContact CG2-CZ3 4.24Å; Q31-W52 HydrophobicContact CG-CB 3.74Å; Q31-W52 HydrophobicContact CG-CG 4.17Å; C48-W52 WeakPolarHBondContact O-CB 3.48Å; C48-W52 PolarHBondContact O-N 3.37Å; S49-W52 PolarHBondContact O-N 3.21Å; E50-W52 VanDerWaalsContact C-N 3.31Å; E50-W52 PolarHBondContact O-N 3.16Å; W52-S54 VanDerWaalsContact C-N 3.27Å; W52-S54 PolarHBondContact O-N 3.46Å; W52-F55 HydrophobicContact CE3-CD1 4.13Å; W52-F55 HydrophobicContact CH2-CD1 4.28Å; W52-F55 AromaticContact CZ3-CD1 3.68Å; W52-F55 HydrophobicContact CZ3-CD1 3.68Å; W52-F55 HydrophobicContact CZ3-CE1 4.06Å; W52-F55 WeakPolarHBondContact O-CB 3.22Å; W52-F55 PolarHBondContact O-N 2.85Å; W52-F55 VanDerWaalsContact O-N 3.13Å; W52-E56 HydrophobicContact CZ2-CB 4.11Å; W52-E56 HydrophobicContact CZ2-CG 4.42Å; W52-E56 PolarHBondContact NE1-OE2 2.82Å; W52-E56 VanDerWaalsContact NE1-OE2 3.08Å; W52-E56 WeakPolarHBondContact O-CB 3.29Å; W52-E56 PolarHBondContact O-N 3.25Å; W52-Y147 WeakPolarHBondContact CZ2-OH 3.48Å
53	N	97.1	Very high	90.3	Very high	88 Å²	88	48.7 Å²	48.7	47%	0.471	28%	0.278	S	S	.	.	H	α-helix	trans	-60.3	-38.7	-179.2	-69.4	-16.1	0	0	0	111.6	S49 E50 S57	S49-N53 VanDerWaalsContact O-CB 3.31Å; S49-N53 WeakPolarHBondContact O-CB 3.14Å; S49-N53 PolarHBondContact O-N 3.31Å; S49-N53 PolarHBondContact O-ND2 3.44Å; S49-N53 PolarHBondContact O-OD1 3.07Å; E50-N53 PolarHBondContact O-N 3.13Å; N53-S57 VanDerWaalsContact O-CB 3.31Å; N53-S57 WeakPolarHBondContact O-CB 3.28Å; N53-S57 PolarHBondContact O-N 3.35Å
54	S	97.1	Very high	88.5	Confident	42 Å²	42	54.5 Å²	54.5	29%	0.294	31%	0.313	S	S	.	.	H	α-helix	trans	-61.2	-49.9	174.3	-176.8	0	0	0	0	111	E50 I51 W52 E56 S57 I58	E50-S54 VanDerWaalsContact O-CB 3.3Å; E50-S54 WeakPolarHBondContact O-CB 3.15Å; E50-S54 PolarHBondContact O-N 2.86Å; I51-S54 PolarHBondContact O-N 3.45Å; W52-S54 VanDerWaalsContact C-N 3.27Å; W52-S54 PolarHBondContact O-N 3.46Å; S54-E56 PolarHBondContact O-N 3.39Å; S54-S57 PolarHBondContact O-N 2.83Å; S54-S57 PolarHBondContact O-OG 3.31Å; S54-I58 PolarHBondContact O-N 2.89Å
55	F	95.8	Very high	87.1	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60	-47.6	176.1	178.8	-104.8	0	0	0	112.7	I51 W52 S57 I58 L59 F75 F78 F131 W136 F163	I51-F55 PolarHBondContact O-N 3.28Å; W52-F55 HydrophobicContact CE3-CD1 4.13Å; W52-F55 HydrophobicContact CH2-CD1 4.28Å; W52-F55 AromaticContact CZ3-CD1 3.68Å; W52-F55 HydrophobicContact CZ3-CD1 3.68Å; W52-F55 HydrophobicContact CZ3-CE1 4.06Å; W52-F55 WeakPolarHBondContact O-CB 3.22Å; W52-F55 PolarHBondContact O-N 2.85Å; W52-F55 VanDerWaalsContact O-N 3.13Å; F55-S57 VanDerWaalsContact C-N 3.32Å; F55-S57 PolarHBondContact O-N 3.42Å; F55-I58 WeakPolarHBondContact O-CB 3.41Å; F55-I58 PolarHBondContact O-N 3.3Å; F55-I58 VanDerWaalsContact O-N 3.17Å; F55-L59 HydrophobicContact CD1-CD1 4.1Å; F55-L59 HydrophobicContact CE1-CD1 3.51Å; F55-L59 HydrophobicContact CE1-CG 4.16Å; F55-L59 HydrophobicContact CZ-CD1 3.96Å; F55-L59 HydrophobicContact CZ-CD2 4.32Å; F55-L59 HydrophobicContact CZ-CG 4.31Å; F55-L59 PolarHBondContact O-N 2.89Å; F55-F75 HydrophobicContact CD2-CD1 4.32Å; F55-F75 AromaticContact CD2-CE1 3.86Å; F55-F75 HydrophobicContact CD2-CE1 3.86Å; F55-F75 HydrophobicContact CE2-CD1 4.21Å; F55-F75 AromaticContact CE2-CE1 3.52Å; F55-F75 HydrophobicContact CE2-CE1 3.52Å; F55-F75 HydrophobicContact CE2-CZ 4.2Å; F55-F75 HydrophobicContact CZ-CE1 4.47Å; F55-F78 HydrophobicContact CB-CE1 4.2Å; F55-F78 HydrophobicContact CB-CE2 3.96Å; F55-F78 HydrophobicContact CB-CZ 3.65Å; F55-F78 HydrophobicContact CD2-CD1 4.31Å; F55-F78 AromaticContact CD2-CE1 3.73Å; F55-F78 HydrophobicContact CD2-CE1 3.73Å; F55-F78 HydrophobicContact CD2-CZ 4.06Å; F55-F78 HydrophobicContact CG-CE1 4.39Å; F55-F78 HydrophobicContact CG-CZ 4.27Å; F55-F131 HydrophobicContact CB-CZ 4.21Å; F55-F131 AromaticContact CD1-CE1 3.74Å; F55-F131 HydrophobicContact CD1-CE1 3.74Å; F55-F131 HydrophobicContact CD1-CZ 4.05Å; F55-F131 AromaticContact CD2-CE1 3.71Å; F55-F131 HydrophobicContact CD2-CE1 3.71Å; F55-F131 HydrophobicContact CD2-CE2 4.44Å; F55-F131 AromaticContact CD2-CZ 3.54Å; F55-F131 HydrophobicContact CD2-CZ 3.54Å; F55-F131 HydrophobicContact CE1-CD1 4.41Å; F55-F131 AromaticContact CE1-CE1 3.56Å; F55-F131 HydrophobicContact CE1-CE1 3.56Å; F55-F131 HydrophobicContact CE1-CZ 4.29Å; F55-F131 HydrophobicContact CE2-CD1 4.19Å; F55-F131 AromaticContact CE2-CE1 3.54Å; F55-F131 HydrophobicContact CE2-CE1 3.54Å; F55-F131 AromaticContact CE2-CZ 3.82Å; F55-F131 HydrophobicContact CE2-CZ 3.82Å; F55-F131 AromaticContact CG-CE1 3.8Å; F55-F131 HydrophobicContact CG-CE1 3.8Å; F55-F131 AromaticContact CG-CZ 3.66Å; F55-F131 HydrophobicContact CG-CZ 3.66Å; F55-F131 HydrophobicContact CZ-CD1 4.03Å; F55-F131 AromaticContact CZ-CE1 3.46Å; F55-F131 HydrophobicContact CZ-CE1 3.46Å; F55-F131 VanDerWaalsContact CZ-CE1 3.46Å; F55-F131 HydrophobicContact CZ-CZ 4.19Å; F55-W136 HydrophobicContact CE2-CH2 4.34Å; F55-W136 HydrophobicContact CE2-CZ2 4.31Å; F55-W136 AromaticContact CZ-CD2 3.95Å; F55-W136 HydrophobicContact CZ-CD2 3.95Å; F55-W136 AromaticContact CZ-CE2 3.96Å; F55-W136 HydrophobicContact CZ-CE3 4.01Å; F55-W136 HydrophobicContact CZ-CH2 4.08Å; F55-W136 AromaticContact CZ-CZ2 4Å; F55-W136 HydrophobicContact CZ-CZ2 4Å; F55-W136 HydrophobicContact CZ-CZ3 4.09Å; F55-F163 HydrophobicContact CE2-CD2 4.3Å
56	E	93.3	Very high	85.7	Confident	44 Å²	44	52.6 Å²	52.6	21%	0.206	30%	0.299	C	S	.	.	H	α-helix	trans	-61.8	-39.9	179.5	177.7	160.6	-119.6	0	0	111.7	W52 S54 I58 L59 L60 Y147	W52-E56 HydrophobicContact CZ2-CB 4.11Å; W52-E56 HydrophobicContact CZ2-CG 4.42Å; W52-E56 PolarHBondContact NE1-OE2 2.82Å; W52-E56 VanDerWaalsContact NE1-OE2 3.08Å; W52-E56 WeakPolarHBondContact O-CB 3.29Å; W52-E56 PolarHBondContact O-N 3.25Å; S54-E56 PolarHBondContact O-N 3.39Å; E56-I58 VanDerWaalsContact C-N 3.25Å; E56-I58 PolarHBondContact O-N 2.89Å; E56-L59 WeakPolarHBondContact O-CB 3.09Å; E56-L59 PolarHBondContact O-N 3.02Å; E56-L59 VanDerWaalsContact O-N 3.11Å; E56-L60 HydrophobicContact CG-CD1 3.94Å; E56-L60 HydrophobicContact CG-CG 4.25Å; E56-L60 WeakPolarHBondContact O-CG 3.4Å; E56-L60 PolarHBondContact O-N 3.12Å; E56-Y147 HydrophobicContact CG-CE1 3.89Å; E56-Y147 VanDerWaalsContact OE1-CE1 3.27Å; E56-Y147 WeakPolarHBondContact OE1-CE1 3.43Å; E56-Y147 PolarHBondContact OE1-OH 3.01Å
57	S	92.1	Very high	84	Confident	67 Å²	67	54 Å²	54	47%	0.469	31%	0.312	S	S	.	.	H	α-helix	trans	-59.5	-36.5	176.3	79	0	0	0	0	112.5	N53 S54 F55 L60 S61	N53-S57 VanDerWaalsContact O-CB 3.31Å; N53-S57 WeakPolarHBondContact O-CB 3.28Å; N53-S57 PolarHBondContact O-N 3.35Å; S54-S57 PolarHBondContact O-N 2.83Å; S54-S57 PolarHBondContact O-OG 3.31Å; F55-S57 VanDerWaalsContact C-N 3.32Å; F55-S57 PolarHBondContact O-N 3.42Å; S57-L60 PolarHBondContact O-N 3.16Å; S57-S61 WeakPolarHBondContact O-CB 3.48Å; S57-S61 PolarHBondContact O-N 3.46Å
58	I	90.7	Very high	82.5	Confident	23 Å²	23	55.6 Å²	55.6	12%	0.118	32%	0.322	C	S	.	.	H	α-helix	trans	-63.8	-48.1	175.6	-64.9	167.9	0	0	0	109.4	S54 F55 E56 L60 S61 T62 L74 F75 F78	S54-I58 PolarHBondContact O-N 2.89Å; F55-I58 WeakPolarHBondContact O-CB 3.41Å; F55-I58 PolarHBondContact O-N 3.3Å; F55-I58 VanDerWaalsContact O-N 3.17Å; E56-I58 VanDerWaalsContact C-N 3.25Å; E56-I58 PolarHBondContact O-N 2.89Å; I58-L60 PolarHBondContact O-N 3.19Å; I58-S61 PolarHBondContact O-N 3.04Å; I58-S61 PolarHBondContact O-OG 3.14Å; I58-T62 WeakPolarHBondContact O-CG2 3.32Å; I58-L74 HydrophobicContact CG2-CD1 3.87Å; I58-L74 HydrophobicContact CG2-CD2 3.98Å; I58-L74 HydrophobicContact CG2-CG 3.66Å; I58-F75 HydrophobicContact CB-CE1 4.17Å; I58-F75 HydrophobicContact CD1-CD1 3.98Å; I58-F75 HydrophobicContact CD1-CE1 4.35Å; I58-F75 HydrophobicContact CG2-CD1 3.94Å; I58-F75 HydrophobicContact CG2-CE1 3.57Å; I58-F75 HydrophobicContact CG2-CZ 4Å; I58-F78 HydrophobicContact CD1-CB 3.6Å; I58-F78 HydrophobicContact CD1-CD2 4.4Å; I58-F78 HydrophobicContact CD1-CG 3.97Å
59	L	87.4	Confident	80.8	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-58.7	-49.5	178.4	-62.3	-176.2	0	0	0	111.1	F55 E56 S61 T62 F75 W136 Y147 V159	F55-L59 HydrophobicContact CD1-CD1 4.1Å; F55-L59 HydrophobicContact CE1-CD1 3.51Å; F55-L59 HydrophobicContact CE1-CG 4.16Å; F55-L59 HydrophobicContact CZ-CD1 3.96Å; F55-L59 HydrophobicContact CZ-CD2 4.32Å; F55-L59 HydrophobicContact CZ-CG 4.31Å; F55-L59 PolarHBondContact O-N 2.89Å; E56-L59 WeakPolarHBondContact O-CB 3.09Å; E56-L59 PolarHBondContact O-N 3.02Å; E56-L59 VanDerWaalsContact O-N 3.11Å; L59-S61 VanDerWaalsContact C-N 3.28Å; L59-S61 PolarHBondContact O-N 3.02Å; L59-T62 PolarHBondContact O-N 2.67Å; L59-T62 VanDerWaalsContact O-N 3.08Å; L59-T62 PolarHBondContact O-OG1 2.81Å; L59-F75 HydrophobicContact CD2-CE1 4.42Å; L59-F75 HydrophobicContact CD2-CZ 3.95Å; L59-W136 HydrophobicContact CD1-CG 4.45Å; L59-Y147 CarbonylContact C-O 3.59Å; L59-Y147 HydrophobicContact CB-CD1 3.75Å; L59-Y147 HydrophobicContact CB-CG 4.15Å; L59-Y147 HydrophobicContact CD1-CD1 3.72Å; L59-Y147 HydrophobicContact CD1-CD2 4.07Å; L59-Y147 HydrophobicContact CD1-CE1 4.26Å; L59-Y147 HydrophobicContact CD1-CG 3.63Å; L59-Y147 HydrophobicContact CG-CD1 4.4Å; L59-Y147 VanDerWaalsContact O-O 3.09Å; L59-V159 HydrophobicContact CD2-CG2 3.74Å
60	L	85.7	Confident	79.5	Confident	84 Å²	84	59.5 Å²	59.5	44%	0.44	34%	0.341	S	S	.	.	H	α-helix	trans	-62.9	-32.8	179.5	-65.9	174.2	0	0	0	112.8	E56 S57 I58 T62 H63 Y147	E56-L60 HydrophobicContact CG-CD1 3.94Å; E56-L60 HydrophobicContact CG-CG 4.25Å; E56-L60 WeakPolarHBondContact O-CG 3.4Å; E56-L60 PolarHBondContact O-N 3.12Å; S57-L60 PolarHBondContact O-N 3.16Å; I58-L60 PolarHBondContact O-N 3.19Å; L60-T62 PolarHBondContact O-N 3.45Å; L60-H63 VanDerWaalsContact CA-CD2 3.5Å; L60-H63 WeakPolarHBondContact CA-CD2 3.32Å; L60-H63 PolarHBondContact O-CD2 2.78Å; L60-H63 PolarHBondContact O-N 3.32Å; L60-Y147 HydrophobicContact CD2-CD1 4.48Å
61	S	81	Confident	78.3	Confident	61 Å²	61	60.2 Å²	60.2	43%	0.427	34%	0.342	S	S	.	.	H	α-helix	trans	-66.5	-18.3	177.3	80.6	0	0	0	0	113.9	S57 I58 L59	S57-S61 WeakPolarHBondContact O-CB 3.48Å; S57-S61 PolarHBondContact O-N 3.46Å; I58-S61 PolarHBondContact O-N 3.04Å; I58-S61 PolarHBondContact O-OG 3.14Å; L59-S61 VanDerWaalsContact C-N 3.28Å; L59-S61 PolarHBondContact O-N 3.02Å
62	T	69.6	Low	77.2	Confident	15 Å²	15	64.6 Å²	64.6	9%	0.092	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-82	-16	-178.2	66.7	0	0	0	0	113.9	I58 L59 L60 T64 K65 L74	I58-T62 WeakPolarHBondContact O-CG2 3.32Å; L59-T62 PolarHBondContact O-N 2.67Å; L59-T62 VanDerWaalsContact O-N 3.08Å; L59-T62 PolarHBondContact O-OG1 2.81Å; L60-T62 PolarHBondContact O-N 3.45Å; T62-T64 PolarHBondContact O-N 3.03Å; T62-K65 PolarHBondContact O-N 2.95Å; T62-L74 HydrophobicContact CG2-CD1 4.35Å; T62-L74 HydrophobicContact CG2-CD2 3.66Å
63	H	61.2	Low	76.7	Confident	69 Å²	69	65.5 Å²	65.5	32%	0.319	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-55.9	-27	-175.4	-76.9	-63.9	0	0	0	115.2	L60 K146 G148	L60-H63 VanDerWaalsContact CA-CD2 3.5Å; L60-H63 WeakPolarHBondContact CA-CD2 3.32Å; L60-H63 PolarHBondContact O-CD2 2.78Å; L60-H63 PolarHBondContact O-N 3.32Å; H63-K146 PolarHBondContact CE1-O 2.75Å; H63-K146 PolarHBondContact NE2-O 3.07Å; H63-G148 PolarHBondContact CE1-N 3.14Å
64	T	52.4	Low	76.3	Confident	125 Å²	125	63.1 Å²	63.1	77%	0.767	37%	0.372	S	S	*	.	G	3₁₀ helix	trans	-99.6	-12.3	-172.2	52.3	0	0	0	0	114.4	T62	T62-T64 PolarHBondContact O-N 3.03Å
65	K	56.8	Low	76.2	Confident	133 Å²	133	61.1 Å²	61.1	58%	0.578	36%	0.358	S	S	*	.	S	Bend	trans	-92.1	145.5	-179	-64.1	-177.8	-177.3	172.9	0	109.5	T62 A67	T62-K65 PolarHBondContact O-N 2.95Å; K65-A67 PolarHBondContact O-N 3.04Å; K65-A67 VanDerWaalsContact O-N 3.14Å
66	S	59.8	Low	76.2	Confident	86 Å²	86	63.4 Å²	63.4	60%	0.601	37%	0.37	S	S	*	.			trans	-41.1	121.8	-175.8	47.5	0	0	0	0	111	C68 V69	S66-C68 PolarHBondContact O-N 2.03Å; S66-V69 PolarHBondContact O-N 3.07Å; S66-V69 VanDerWaalsContact O-N 3.09Å
67	A	58	Low	76.5	Confident	37 Å²	37	67.6 Å²	67.6	31%	0.306	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-18.6	-157.9	0	0	0	0	0	115.8	K65 V150 C153	K65-A67 PolarHBondContact O-N 3.04Å; K65-A67 VanDerWaalsContact O-N 3.14Å; A67-V150 VanDerWaalsContact O-CA 3.3Å; A67-V150 WeakPolarHBondContact O-CA 3.49Å; A67-V150 VanDerWaalsContact O-CG1 3.28Å; A67-V150 WeakPolarHBondContact O-CG1 3.44Å; A67-C153 PolarHBondContact O-SG 3.05Å
68	C	65.3	Low	76.7	Confident	71 Å²	71	64.8 Å²	64.8	48%	0.48	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117	-5.6	-170.8	-45.3	0	0	0	0	114.3	S66 C153	S66-C68 PolarHBondContact O-N 2.03Å; C68-C153 WeakPolarHBondContact CA-SG 3.34Å; C68-C153 HydrophobicContact CB-CB 3.55Å; C68-C153 WeakPolarHBondContact CB-SG 3.39Å; C68-C153 PolarHBondContact N-SG 3.26Å; C68-C153 WeakPolarHBondContact SG-CB 3.49Å; C68-C153 CovalentContact SG-SG 2.05Å; C68-C153 PolarHBondContact SG-SG 3.33Å
69	V	61.9	Low	77.1	Confident	108 Å²	108	63.7 Å²	63.7	66%	0.655	37%	0.368	S	S	*	.			trans	-107.5	108.6	179.1	-177.1	0	0	0	0	109.4	S66	S66-V69 PolarHBondContact O-N 3.07Å; S66-V69 VanDerWaalsContact O-N 3.09Å
70	M	70.7	Confident	77.6	Confident	43 Å²	43	68.8 Å²	68.8	21%	0.212	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-87.4	135.3	172.8	-71	-154.8	70.8	0	0	111.4	S72 L74 V150 N158 V159 A162	M70-S72 PolarHBondContact O-N 2.84Å; M70-L74 HydrophobicContact CE-CB 4.37Å; M70-L74 HydrophobicContact CE-CD2 3.19Å; M70-L74 HydrophobicContact CE-CG 4.38Å; M70-V150 HydrophobicContact CG-CG1 3.81Å; M70-V150 HydrophobicContact SD-CG1 4.06Å; M70-N158 HydrophobicContact CG-CB 4.25Å; M70-N158 HydrophobicContact SD-CB 3.82Å; M70-V159 HydrophobicContact CE-CB 3.92Å; M70-V159 HydrophobicContact CE-CG2 3.91Å; M70-V159 WeakPolarHBondContact SD-CA 3.43Å; M70-V159 HydrophobicContact SD-CB 3.9Å; M70-V159 PolarHBondContact SD-N 2.94Å; M70-A162 HydrophobicContact CE-CB 3.6Å; M70-A162 HydrophobicContact SD-CB 3.86Å
71	K	71.9	Confident	78.2	Confident	147 Å²	147	70 Å²	70	64%	0.639	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-62.1	127.7	168.9	-169.8	-170	177.9	-167.3	0	108.2	G73 L74	K71-G73 PolarHBondContact O-N 3.34Å; K71-L74 PolarHBondContact O-N 3.46Å
72	S	75.7	Confident	79	Confident	106 Å²	106	67.2 Å²	67.2	74%	0.741	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	135.5	168.3	56.4	0	0	0	0	109.9	M70 L74	M70-S72 PolarHBondContact O-N 2.84Å; S72-L74 VanDerWaalsContact C-N 3.34Å; S72-L74 PolarHBondContact O-N 2.8Å
73	G	87.3	Confident	80.3	Confident	26 Å²	26	66.8 Å²	66.8	27%	0.268	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.5	27.5	178.5	0	0	0	0	0	114.6	K71 F75 D76	K71-G73 PolarHBondContact O-N 3.34Å; G73-F75 PolarHBondContact O-N 2.91Å; G73-F75 VanDerWaalsContact O-N 3.1Å; G73-D76 WeakPolarHBondContact CA-OD1 3.31Å; G73-D76 WeakPolarHBondContact CA-OD2 3.37Å; G73-D76 WeakPolarHBondContact O-CB 3.3Å; G73-D76 PolarHBondContact O-N 2.87Å
74	L	88.9	Confident	82	Confident	37 Å²	37	65.9 Å²	65.9	19%	0.194	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-35.3	177.5	179.1	64.4	0	0	0	113.1	I58 T62 M70 K71 S72	I58-L74 HydrophobicContact CG2-CD1 3.87Å; I58-L74 HydrophobicContact CG2-CD2 3.98Å; I58-L74 HydrophobicContact CG2-CG 3.66Å; T62-L74 HydrophobicContact CG2-CD1 4.35Å; T62-L74 HydrophobicContact CG2-CD2 3.66Å; M70-L74 HydrophobicContact CE-CB 4.37Å; M70-L74 HydrophobicContact CE-CD2 3.19Å; M70-L74 HydrophobicContact CE-CG 4.38Å; K71-L74 PolarHBondContact O-N 3.46Å; S72-L74 VanDerWaalsContact C-N 3.34Å; S72-L74 PolarHBondContact O-N 2.8Å
75	F	94.6	Very high	83.9	Confident	0 Å²	0	62 Å²	62	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.3	7.2	-177.8	-65.4	-83.2	0	0	0	113.2	F55 I58 L59 G73 D77 F78 V79 W136 V159 A162 F163	F55-F75 HydrophobicContact CD2-CD1 4.32Å; F55-F75 AromaticContact CD2-CE1 3.86Å; F55-F75 HydrophobicContact CD2-CE1 3.86Å; F55-F75 HydrophobicContact CE2-CD1 4.21Å; F55-F75 AromaticContact CE2-CE1 3.52Å; F55-F75 HydrophobicContact CE2-CE1 3.52Å; F55-F75 HydrophobicContact CE2-CZ 4.2Å; F55-F75 HydrophobicContact CZ-CE1 4.47Å; I58-F75 HydrophobicContact CB-CE1 4.17Å; I58-F75 HydrophobicContact CD1-CD1 3.98Å; I58-F75 HydrophobicContact CD1-CE1 4.35Å; I58-F75 HydrophobicContact CG2-CD1 3.94Å; I58-F75 HydrophobicContact CG2-CE1 3.57Å; I58-F75 HydrophobicContact CG2-CZ 4Å; L59-F75 HydrophobicContact CD2-CE1 4.42Å; L59-F75 HydrophobicContact CD2-CZ 3.95Å; G73-F75 PolarHBondContact O-N 2.91Å; G73-F75 VanDerWaalsContact O-N 3.1Å; F75-D77 PolarHBondContact O-N 3.09Å; F75-F78 HydrophobicContact CD1-CD1 4.39Å; F75-F78 PolarHBondContact O-N 2.89Å; F75-V79 HydrophobicContact CB-CG2 4.03Å; F75-V79 WeakPolarHBondContact O-CB 3.42Å; F75-V79 VanDerWaalsContact O-CG2 3.26Å; F75-V79 WeakPolarHBondContact O-CG2 3.2Å; F75-V79 PolarHBondContact O-N 3.17Å; F75-W136 HydrophobicContact CZ-CZ2 4.31Å; F75-V159 HydrophobicContact CE2-CG2 3.99Å; F75-V159 WeakPolarHBondContact CE2-O 3.49Å; F75-V159 HydrophobicContact CZ-CG2 3.92Å; F75-A162 HydrophobicContact CD2-CB 4.25Å; F75-A162 HydrophobicContact CE2-CB 4.26Å; F75-F163 HydrophobicContact CB-CD2 4.28Å; F75-F163 HydrophobicContact CD1-CD2 4.04Å; F75-F163 VanDerWaalsContact CD2-CA 3.4Å; F75-F163 HydrophobicContact CD2-CB 3.73Å; F75-F163 HydrophobicContact CE2-CB 3.87Å; F75-F163 HydrophobicContact CG-CB 4.07Å; F75-F163 HydrophobicContact CG-CD2 4.07Å; F75-F163 HydrophobicContact CZ-CB 4.33Å
76	D	97	Very high	85.6	Confident	49 Å²	49	55.8 Å²	55.8	26%	0.262	31%	0.311	S	S	.	.	H	α-helix	trans	-58.5	-50.9	-171.3	-78.8	7.7	0	0	0	112.2	G73 F78 V79 Y80 S166	G73-D76 WeakPolarHBondContact CA-OD1 3.31Å; G73-D76 WeakPolarHBondContact CA-OD2 3.37Å; G73-D76 WeakPolarHBondContact O-CB 3.3Å; G73-D76 PolarHBondContact O-N 2.87Å; D76-F78 PolarHBondContact O-N 3.48Å; D76-V79 PolarHBondContact O-N 3.06Å; D76-Y80 VanDerWaalsContact O-CB 3.22Å; D76-Y80 WeakPolarHBondContact O-CB 3.42Å; D76-Y80 PolarHBondContact O-N 2.84Å; D76-S166 PolarHBondContact N-OG 3.43Å; D76-S166 WeakPolarHBondContact OD1-CB 3.36Å; D76-S166 PolarHBondContact OD1-OG 2.71Å
77	D	97.6	Very high	87.1	Confident	131 Å²	131	56.7 Å²	56.7	70%	0.701	31%	0.306	S	S	*	.	H	α-helix	trans	-65.2	-41.8	-179.1	-65.5	-23	0	0	0	111.9	F75 Y80 Q81	F75-D77 PolarHBondContact O-N 3.09Å; D77-Y80 PolarHBondContact O-N 3.36Å; D77-Q81 VanDerWaalsContact O-CG 3.29Å; D77-Q81 WeakPolarHBondContact O-CG 3.28Å; D77-Q81 PolarHBondContact O-N 3.07Å
78	F	98.2	Very high	88.6	Confident	8 Å²	8	59.3 Å²	59.3	4%	0.035	31%	0.312	C	S	.	.	H	α-helix	trans	-62.9	-48	177.7	173.7	-104.8	0	0	0	111.4	I51 F55 I58 F75 D76 Q81 L82 F131 F163	I51-F78 HydrophobicContact CG2-CE2 4.33Å; I51-F78 HydrophobicContact CG2-CZ 4.2Å; F55-F78 HydrophobicContact CB-CE1 4.2Å; F55-F78 HydrophobicContact CB-CE2 3.96Å; F55-F78 HydrophobicContact CB-CZ 3.65Å; F55-F78 HydrophobicContact CD2-CD1 4.31Å; F55-F78 AromaticContact CD2-CE1 3.73Å; F55-F78 HydrophobicContact CD2-CE1 3.73Å; F55-F78 HydrophobicContact CD2-CZ 4.06Å; F55-F78 HydrophobicContact CG-CE1 4.39Å; F55-F78 HydrophobicContact CG-CZ 4.27Å; I58-F78 HydrophobicContact CD1-CB 3.6Å; I58-F78 HydrophobicContact CD1-CD2 4.4Å; I58-F78 HydrophobicContact CD1-CG 3.97Å; F75-F78 HydrophobicContact CD1-CD1 4.39Å; F75-F78 PolarHBondContact O-N 2.89Å; D76-F78 PolarHBondContact O-N 3.48Å; F78-Q81 PolarHBondContact O-N 3.19Å; F78-L82 HydrophobicContact CD1-CD1 4.19Å; F78-L82 HydrophobicContact CE1-CD1 3.52Å; F78-L82 HydrophobicContact CE1-CG 4.37Å; F78-L82 HydrophobicContact CE2-CD1 4.3Å; F78-L82 HydrophobicContact CE2-CG 4.47Å; F78-L82 HydrophobicContact CZ-CD1 3.58Å; F78-L82 HydrophobicContact CZ-CD2 4.47Å; F78-L82 HydrophobicContact CZ-CG 4.22Å; F78-L82 WeakPolarHBondContact O-CG 3.47Å; F78-L82 PolarHBondContact O-N 2.97Å; F78-L82 VanDerWaalsContact O-N 3.13Å; F78-F131 AromaticContact CE1-CE2 3.78Å; F78-F131 HydrophobicContact CE1-CE2 3.78Å; F78-F131 AromaticContact CE1-CZ 3.99Å; F78-F131 HydrophobicContact CE1-CZ 3.99Å; F78-F131 HydrophobicContact CZ-CE2 4.02Å; F78-F131 HydrophobicContact CZ-CZ 4.02Å; F78-F163 HydrophobicContact CD1-CE2 4.43Å; F78-F163 HydrophobicContact CE1-CE2 4.18Å
79	V	98.5	Very high	89.5	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66.9	-41.3	179.7	173.9	0	0	0	0	110.9	F75 D76 Q81 L82 F83 P127 F163 A167 E170	F75-V79 HydrophobicContact CB-CG2 4.03Å; F75-V79 WeakPolarHBondContact O-CB 3.42Å; F75-V79 VanDerWaalsContact O-CG2 3.26Å; F75-V79 WeakPolarHBondContact O-CG2 3.2Å; F75-V79 PolarHBondContact O-N 3.17Å; D76-V79 PolarHBondContact O-N 3.06Å; V79-Q81 VanDerWaalsContact C-N 3.32Å; V79-Q81 PolarHBondContact O-N 3.32Å; V79-L82 PolarHBondContact O-N 3.2Å; V79-F83 HydrophobicContact CG1-CD2 3.7Å; V79-F83 HydrophobicContact CG1-CE2 3.65Å; V79-F83 WeakPolarHBondContact O-CD2 3.32Å; V79-F83 PolarHBondContact O-N 2.85Å; V79-P127 HydrophobicContact CG1-CB 4.43Å; V79-P127 HydrophobicContact CG1-CG 4.42Å; V79-F163 HydrophobicContact CG2-CD2 4.1Å; V79-F163 HydrophobicContact CG2-CE2 3.79Å; V79-A167 HydrophobicContact CG1-CB 4.04Å; V79-E170 HydrophobicContact CG1-CB 4.1Å; V79-E170 HydrophobicContact CG1-CG 4.44Å
80	Y	98.5	Very high	90.3	Very high	109 Å²	109	55.7 Å²	55.7	43%	0.427	28%	0.281	S	S	.	.	H	α-helix	trans	-54.4	-48.7	173.3	176.7	-90.3	0	0	0	111.4	D76 D77 L82 F83 E84 E170 R174	D76-Y80 VanDerWaalsContact O-CB 3.22Å; D76-Y80 WeakPolarHBondContact O-CB 3.42Å; D76-Y80 PolarHBondContact O-N 2.84Å; D77-Y80 PolarHBondContact O-N 3.36Å; Y80-L82 VanDerWaalsContact C-N 3.33Å; Y80-L82 PolarHBondContact O-N 3.04Å; Y80-F83 PolarHBondContact O-N 3.4Å; Y80-E84 HydrophobicContact CD1-CG 3.98Å; Y80-E84 HydrophobicContact CE1-CG 3.48Å; Y80-E84 VanDerWaalsContact CE1-CG 3.48Å; Y80-E84 HydrophobicContact CE2-CG 4.39Å; Y80-E84 WeakPolarHBondContact O-CG 3.4Å; Y80-E84 PolarHBondContact O-N 3.31Å; Y80-E170 WeakPolarHBondContact CD2-OE1 3.13Å; Y80-R174 VanDerWaalsContact CE2-NH2 3.34Å
81	Q	98	Very high	89.8	Confident	109 Å²	109	62.9 Å²	62.9	51%	0.509	31%	0.306	S	S	.	.	H	α-helix	trans	-60.4	-39.4	178.2	-73.4	173.6	0.1	0	0	112.7	D77 F78 V79 E84 L85	D77-Q81 VanDerWaalsContact O-CG 3.29Å; D77-Q81 WeakPolarHBondContact O-CG 3.28Å; D77-Q81 PolarHBondContact O-N 3.07Å; F78-Q81 PolarHBondContact O-N 3.19Å; V79-Q81 VanDerWaalsContact C-N 3.32Å; V79-Q81 PolarHBondContact O-N 3.32Å; Q81-E84 PolarHBondContact O-N 2.94Å; Q81-L85 WeakPolarHBondContact O-CG 3Å; Q81-L85 PolarHBondContact O-N 3Å
82	L	97.9	Very high	89.1	Confident	3 Å²	3	63.4 Å²	63.4	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-65.8	-39.8	176.5	-65.2	-177.4	0	0	0	112.3	I51 F78 V79 Y80 L85 E86 F126 P127 L130 F131	I51-L82 HydrophobicContact CD1-CD2 3.91Å; I51-L82 HydrophobicContact CG1-CD2 4.1Å; I51-L82 HydrophobicContact CG2-CD2 4Å; F78-L82 HydrophobicContact CD1-CD1 4.19Å; F78-L82 HydrophobicContact CE1-CD1 3.52Å; F78-L82 HydrophobicContact CE1-CG 4.37Å; F78-L82 HydrophobicContact CE2-CD1 4.3Å; F78-L82 HydrophobicContact CE2-CG 4.47Å; F78-L82 HydrophobicContact CZ-CD1 3.58Å; F78-L82 HydrophobicContact CZ-CD2 4.47Å; F78-L82 HydrophobicContact CZ-CG 4.22Å; F78-L82 WeakPolarHBondContact O-CG 3.47Å; F78-L82 PolarHBondContact O-N 2.97Å; F78-L82 VanDerWaalsContact O-N 3.13Å; V79-L82 PolarHBondContact O-N 3.2Å; Y80-L82 VanDerWaalsContact C-N 3.33Å; Y80-L82 PolarHBondContact O-N 3.04Å; L82-L85 HydrophobicContact CD2-CD1 4.32Å; L82-L85 PolarHBondContact O-N 2.78Å; L82-E86 PolarHBondContact O-N 3.35Å; L82-F126 HydrophobicContact CB-CD1 4.09Å; L82-F126 HydrophobicContact CD2-CD1 4.04Å; L82-F126 HydrophobicContact CD2-CE1 3.71Å; L82-P127 HydrophobicContact CB-CB 3.99Å; L82-P127 HydrophobicContact CB-CG 4.19Å; L82-P127 HydrophobicContact CD1-CB 3.76Å; L82-L130 HydrophobicContact CD1-CD1 4.12Å; L82-L130 HydrophobicContact CD2-CD1 4.39Å; L82-F131 HydrophobicContact CD1-CE2 4.27Å
83	F	96.7	Very high	88.1	Confident	6 Å²	6	64.4 Å²	64.4	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-65.9	-37.7	173.3	-85.7	-73.3	0	0	0	112.7	V79 Y80 E86 Q87 L122 T125 P127 E170 Y171	V79-F83 HydrophobicContact CG1-CD2 3.7Å; V79-F83 HydrophobicContact CG1-CE2 3.65Å; V79-F83 WeakPolarHBondContact O-CD2 3.32Å; V79-F83 PolarHBondContact O-N 2.85Å; Y80-F83 PolarHBondContact O-N 3.4Å; F83-E86 PolarHBondContact O-N 2.04Å; F83-Q87 WeakPolarHBondContact O-CB 3Å; F83-Q87 PolarHBondContact O-N 3.35Å; F83-L122 HydrophobicContact CZ-CD1 4.09Å; F83-T125 HydrophobicContact CE1-CG2 3.64Å; F83-T125 HydrophobicContact CZ-CG2 4.01Å; F83-P127 HydrophobicContact CD1-CG 4.44Å; F83-P127 HydrophobicContact CD2-CG 3.69Å; F83-P127 HydrophobicContact CE1-CG 4.21Å; F83-P127 HydrophobicContact CE2-CG 3.42Å; F83-P127 VanDerWaalsContact CE2-CG 3.42Å; F83-P127 HydrophobicContact CG-CG 4.2Å; F83-P127 HydrophobicContact CZ-CG 3.7Å; F83-E170 HydrophobicContact CB-CG 4.34Å; F83-E170 HydrophobicContact CD2-CB 3.92Å; F83-E170 HydrophobicContact CD2-CG 3.33Å; F83-E170 HydrophobicContact CE2-CB 3.87Å; F83-E170 HydrophobicContact CE2-CG 3.8Å; F83-E170 HydrophobicContact CG-CG 3.99Å; F83-Y171 HydrophobicContact CE1-CD2 4.18Å; F83-Y171 HydrophobicContact CZ-CD2 4.2Å
84	E	95.2	Very high	86.2	Confident	50 Å²	50	70 Å²	70	23%	0.234	33%	0.332	C	S	.	.	H	α-helix	trans	-63.4	-42.5	174.4	-73	-61.1	119.7	0	0	111.7	Y80 Q81 E86 Q87 Q88 R174	Y80-E84 HydrophobicContact CD1-CG 3.98Å; Y80-E84 HydrophobicContact CE1-CG 3.48Å; Y80-E84 VanDerWaalsContact CE1-CG 3.48Å; Y80-E84 HydrophobicContact CE2-CG 4.39Å; Y80-E84 WeakPolarHBondContact O-CG 3.4Å; Y80-E84 PolarHBondContact O-N 3.31Å; Q81-E84 PolarHBondContact O-N 2.94Å; E84-E86 VanDerWaalsContact C-N 3.35Å; E84-E86 PolarHBondContact O-N 3.4Å; E84-Q87 PolarHBondContact O-N 3.39Å; E84-Q88 WeakPolarHBondContact O-CB 3.43Å; E84-Q88 VanDerWaalsContact O-CG 3.23Å; E84-Q88 WeakPolarHBondContact O-CG 3.48Å; E84-Q88 PolarHBondContact O-N 3.11Å; E84-R174 IonicContact OE1-CZ 2.8Å; E84-R174 VanDerWaalsContact OE1-CZ 3.24Å; E84-R174 IonicContact OE1-NH1 3.4Å; E84-R174 PolarHBondContact OE1-NH1 3.44Å; E84-R174 IonicContact OE1-NH2 2.71Å; E84-R174 PolarHBondContact OE1-NH2 2.89Å
85	L	94	Very high	84.5	Confident	43 Å²	43	74.9 Å²	74.9	23%	0.225	36%	0.357	C	S	.	.	H	α-helix	trans	-59	-46.4	174	-72.9	175.2	0	0	0	111.3	I46 I51 Q81 L82 Q87 Q88 Q89 F126	I46-L85 HydrophobicContact CD1-CB 4.49Å; I46-L85 HydrophobicContact CG1-CD2 4.43Å; I51-L85 HydrophobicContact CD1-CD1 4.12Å; Q81-L85 WeakPolarHBondContact O-CG 3Å; Q81-L85 PolarHBondContact O-N 3Å; L82-L85 HydrophobicContact CD2-CD1 4.32Å; L82-L85 PolarHBondContact O-N 2.78Å; L85-Q87 PolarHBondContact O-N 2.92Å; L85-Q88 PolarHBondContact O-N 3.12Å; L85-Q89 WeakPolarHBondContact O-CG 3.29Å; L85-Q89 PolarHBondContact O-N 3.12Å; L85-F126 HydrophobicContact CB-CD1 4.42Å; L85-F126 HydrophobicContact CB-CE1 4.4Å; L85-F126 HydrophobicContact CD1-CE1 4.2Å
86	E	92.6	Very high	82.6	Confident	2 Å²	2	82.1 Å²	82.1	1%	0.009	39%	0.391	C	S	.	.	H	α-helix	trans	-58.6	-48.8	176.4	-179.7	173.3	-170.7	0	0	111.7	W37 L82 F83 E84 Q88 Q89 Q90 R120 T125 F126	W37-E86 HydrophobicContact CZ2-CB 4.37Å; W37-E86 HydrophobicContact CZ2-CG 4.09Å; L82-E86 PolarHBondContact O-N 3.35Å; F83-E86 PolarHBondContact O-N 2.04Å; E84-E86 VanDerWaalsContact C-N 3.35Å; E84-E86 PolarHBondContact O-N 3.4Å; E86-Q88 VanDerWaalsContact C-N 3.32Å; E86-Q88 PolarHBondContact O-N 3.15Å; E86-Q89 PolarHBondContact O-N 3.13Å; E86-Q90 HydrophobicContact CG-CG 4.31Å; E86-Q90 WeakPolarHBondContact O-CG 3.4Å; E86-Q90 PolarHBondContact O-N 3.34Å; E86-Q90 PolarHBondContact OE1-NE2 3.35Å; E86-R120 IonicContact OE1-CZ 3.2Å; E86-R120 IonicContact OE1-NH1 3.52Å; E86-R120 PolarHBondContact OE1-NH1 2.95Å; E86-R120 IonicContact OE1-NH2 3.2Å; E86-R120 PolarHBondContact OE1-NH2 2.82Å; E86-R120 IonicContact OE2-NH2 3.26Å; E86-R120 PolarHBondContact OE2-NH2 2.8Å; E86-T125 WeakPolarHBondContact OE2-CB 3.23Å; E86-F126 HydrophobicContact CB-CB 3.82Å; E86-F126 HydrophobicContact CG-CB 4.27Å; E86-F126 PolarHBondContact OE2-N 2.95Å
87	Q	90.2	Very high	81.2	Confident	105 Å²	105	82.6 Å²	82.6	49%	0.491	40%	0.395	S	S	.	.	H	α-helix	trans	-62.5	-38	-179.2	-177.9	173.1	-7.3	0	0	112.3	F83 E84 L85 Q89 Q90	F83-Q87 WeakPolarHBondContact O-CB 3Å; F83-Q87 PolarHBondContact O-N 3.35Å; E84-Q87 PolarHBondContact O-N 3.39Å; L85-Q87 PolarHBondContact O-N 2.92Å; Q87-Q89 VanDerWaalsContact C-N 3.25Å; Q87-Q89 PolarHBondContact O-N 3.24Å; Q87-Q90 PolarHBondContact O-N 2.92Å
88	Q	88.9	Confident	80.6	Confident	92 Å²	92	80.7 Å²	80.7	43%	0.43	38%	0.382	S	S	.	.	H	α-helix	trans	-62.1	-33.9	178	-75.4	171.7	7.5	0	0	112.6	E84 L85 E86 R91	E84-Q88 WeakPolarHBondContact O-CB 3.43Å; E84-Q88 VanDerWaalsContact O-CG 3.23Å; E84-Q88 WeakPolarHBondContact O-CG 3.48Å; E84-Q88 PolarHBondContact O-N 3.11Å; L85-Q88 PolarHBondContact O-N 3.12Å; E86-Q88 VanDerWaalsContact C-N 3.32Å; E86-Q88 PolarHBondContact O-N 3.15Å; Q88-R91 PolarHBondContact O-NE 3.42Å; Q88-R91 VanDerWaalsContact O-NE 3.12Å; Q88-R91 PolarHBondContact O-NH2 2.75Å
89	Q	84.6	Confident	80.5	Confident	46 Å²	46	81.2 Å²	81.2	22%	0.215	39%	0.385	C	S	.	.	H	α-helix	trans	-83	-35.7	178.1	-56.5	-53.1	-44.2	0	0	112.4	W37 A43 L85 E86 Q87 R91	W37-Q89 HydrophobicContact CH2-CB 4.03Å; W37-Q89 HydrophobicContact CH2-CG 3.95Å; W37-Q89 HydrophobicContact CZ3-CG 4.15Å; A43-Q89 HydrophobicContact CB-CG 3.78Å; L85-Q89 WeakPolarHBondContact O-CG 3.29Å; L85-Q89 PolarHBondContact O-N 3.12Å; E86-Q89 PolarHBondContact O-N 3.13Å; Q87-Q89 VanDerWaalsContact C-N 3.25Å; Q87-Q89 PolarHBondContact O-N 3.24Å; Q89-R91 PolarHBondContact O-N 3.46Å
90	Q	78.2	Confident	80.5	Confident	58 Å²	58	82 Å²	82	27%	0.271	39%	0.388	S	S	.	.	H	α-helix	trans	-72.1	-4.8	-178.5	-77.6	178.3	-3.4	0	0	115.2	E86 Q87 H92 H93	E86-Q90 HydrophobicContact CG-CG 4.31Å; E86-Q90 WeakPolarHBondContact O-CG 3.4Å; E86-Q90 PolarHBondContact O-N 3.34Å; E86-Q90 PolarHBondContact OE1-NE2 3.35Å; Q87-Q90 PolarHBondContact O-N 2.92Å; Q90-H92 PolarHBondContact O-N 3.15Å; Q90-H93 PolarHBondContact O-N 2.92Å
91	R	62.1	Low	80.5	Confident	193 Å²	193	77 Å²	77	73%	0.728	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-15.1	178.7	-75.8	-173.6	-68.7	151.9	-1.6	114.8	Q88 Q89	Q88-R91 PolarHBondContact O-NE 3.42Å; Q88-R91 VanDerWaalsContact O-NE 3.12Å; Q88-R91 PolarHBondContact O-NH2 2.75Å; Q89-R91 PolarHBondContact O-N 3.46Å
92	H	55.4	Low	80.5	Confident	158 Å²	158	73.2 Å²	73.2	73%	0.731	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.3	-6.7	177.7	-65.1	-79.1	0	0	0	115	Q90	Q90-H92 PolarHBondContact O-N 3.15Å
93	H	56.1	Low	80.5	Confident	127 Å²	127	73.8 Å²	73.8	59%	0.588	36%	0.355	S	S	*	.			trans	-106.5	100	-179.2	-69.6	-69.8	0	0	0	110.9	Q90 I95	Q90-H93 PolarHBondContact O-N 2.92Å; H93-I95 PolarHBondContact O-N 3.01Å
94	T	46.4	Very low	80.3	Confident	143 Å²	143	77.7 Å²	77.7	88%	0.877	37%	0.373	S	S	*	.			trans	-77.5	1.8	-174.9	-15.5	0	0	0	0	114.9	Q96	T94-Q96 PolarHBondContact O-N 2.89Å
95	I	52.7	Low	80.4	Confident	141 Å²	141	75.8 Å²	75.8	72%	0.723	37%	0.365	S	S	*	.			trans	-81	92.5	177.8	-53.2	179	0	0	0	107.2	H93 T97	H93-I95 PolarHBondContact O-N 3.01Å; I95-T97 HydrophobicContact CG2-CG2 3.9Å; I95-T97 PolarHBondContact O-N 3.13Å
96	Q	54.9	Low	80.4	Confident	151 Å²	151	76.7 Å²	76.7	71%	0.706	37%	0.369	S	S	*	.			trans	-62.6	91.7	164.9	-166.4	177.7	49	0	0	106.9	T94 E98	T94-Q96 PolarHBondContact O-N 2.89Å; Q96-E98 PolarHBondContact O-N 2.99Å
97	T	67.8	Low	80.5	Confident	59 Å²	59	82.3 Å²	82.3	36%	0.362	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-73.2	119	172.6	41.4	0	0	0	0	106.8	I95 Q99 R120	I95-T97 HydrophobicContact CG2-CG2 3.9Å; I95-T97 PolarHBondContact O-N 3.13Å; T97-Q99 PolarHBondContact O-N 3.24Å; T97-R120 WeakPolarHBondContact OG1-CB 3.29Å; T97-R120 WeakPolarHBondContact OG1-CD 3.3Å
98	E	86.3	Confident	80.7	Confident	91 Å²	91	78.5 Å²	78.5	43%	0.425	38%	0.382	S	S	.	.	P	Polyproline II helix	trans	-49.3	133.7	174.5	-61	175.9	136.2	0	0	109.5	Q96 Y100 F180	Q96-E98 PolarHBondContact O-N 2.99Å; E98-Y100 HydrophobicContact CB-CE2 4.14Å; E98-Y100 WeakPolarHBondContact O-CD2 3.29Å; E98-F180 HydrophobicContact CB-CD2 3.82Å; E98-F180 HydrophobicContact CB-CE2 3.53Å; E98-F180 HydrophobicContact CG-CE2 3.84Å; E98-F180 WeakPolarHBondContact OE2-CE2 3.32Å; E98-F180 WeakPolarHBondContact OE2-CZ 3.3Å
99	Q	95.4	Very high	81	Confident	19 Å²	19	74.1 Å²	74.1	9%	0.089	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	133.6	-173.1	-69.6	172.3	-94.6	0	0	110.9	T97 Y171 A175 I179 F180	T97-Q99 PolarHBondContact O-N 3.24Å; Q99-Y171 WeakPolarHBondContact CB-OH 3.42Å; Q99-A175 VanDerWaalsContact OE1-CA 3.26Å; Q99-I179 HydrophobicContact CB-CG2 4.13Å; Q99-F180 PolarHBondContact O-N 3.5Å
100	Y	97.8	Very high	81.5	Confident	18 Å²	18	73.6 Å²	73.6	7%	0.071	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	113.8	-178	-77.4	-112.2	0	0	0	110.3	E98 C119 R120 S121 Y171 F180 V182 K216 F258	E98-Y100 HydrophobicContact CB-CE2 4.14Å; E98-Y100 WeakPolarHBondContact O-CD2 3.29Å; Y100-C119 HydrophobicContact CD1-CB 4.24Å; Y100-C119 HydrophobicContact CD2-CB 3.48Å; Y100-C119 VanDerWaalsContact CD2-CB 3.48Å; Y100-C119 HydrophobicContact CE1-CB 4.34Å; Y100-C119 HydrophobicContact CE2-CB 3.61Å; Y100-C119 HydrophobicContact CG-CB 3.84Å; Y100-R120 PolarHBondContact N-O 2.87Å; Y100-S121 WeakPolarHBondContact O-CA 3.35Å; Y100-Y171 PolarHBondContact N-OH 2.98Å; Y100-F180 WeakPolarHBondContact CA-O 3.25Å; Y100-F180 HydrophobicContact CD1-CB 3.74Å; Y100-F180 HydrophobicContact CD1-CG 4.46Å; Y100-F180 HydrophobicContact CD2-CB 4.27Å; Y100-F180 HydrophobicContact CD2-CD2 4.23Å; Y100-F180 HydrophobicContact CE1-CB 3.69Å; Y100-F180 HydrophobicContact CE1-CD2 4.36Å; Y100-F180 AromaticContact CE1-CG 3.97Å; Y100-F180 HydrophobicContact CE1-CG 3.97Å; Y100-F180 HydrophobicContact CE2-CB 4.22Å; Y100-F180 AromaticContact CE2-CD2 3.64Å; Y100-F180 HydrophobicContact CE2-CD2 3.64Å; Y100-F180 HydrophobicContact CE2-CE2 4.4Å; Y100-F180 HydrophobicContact CE2-CG 4.09Å; Y100-F180 HydrophobicContact CG-CB 4.03Å; Y100-F180 AromaticContact CZ-CD2 3.71Å; Y100-F180 AromaticContact CZ-CG 3.74Å; Y100-V182 HydrophobicContact CD1-CG2 3.72Å; Y100-V182 HydrophobicContact CE1-CG2 4.28Å; Y100-K216 HydrophobicContact CE1-CD 4.14Å; Y100-K216 PolarHBondContact OH-NZ 3.31Å; Y100-F258 HydrophobicContact CE1-CZ 4.2Å
101	F	98.5	Very high	82.3	Confident	2 Å²	2	70.9 Å²	70.9	1%	0.009	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	162.8	161.8	-63	-90.7	0	0	0	109.4	Y171 A172 A175 I179 F180 V181 V182 F197 E201 L205	F101-Y171 AromaticContact CD1-CD1 3.99Å; F101-Y171 HydrophobicContact CD1-CD1 3.99Å; F101-Y171 HydrophobicContact CD1-CE1 4.01Å; F101-Y171 HydrophobicContact CD2-CE1 4.48Å; F101-Y171 AromaticContact CE1-CD1 3.39Å; F101-Y171 HydrophobicContact CE1-CD1 3.39Å; F101-Y171 AromaticContact CE1-CE1 3.68Å; F101-Y171 HydrophobicContact CE1-CE1 3.68Å; F101-Y171 HydrophobicContact CE2-CE1 4.14Å; F101-Y171 HydrophobicContact CG-CE1 4.4Å; F101-Y171 AromaticContact CZ-CD1 3.71Å; F101-Y171 HydrophobicContact CZ-CD1 3.71Å; F101-Y171 AromaticContact CZ-CE1 3.72Å; F101-Y171 HydrophobicContact CZ-CE1 3.72Å; F101-A172 HydrophobicContact CE1-CB 4.07Å; F101-A172 HydrophobicContact CZ-CB 4.34Å; F101-A175 HydrophobicContact CE2-CB 4.14Å; F101-A175 HydrophobicContact CZ-CB 3.93Å; F101-I179 HydrophobicContact CD2-CD1 4.17Å; F101-I179 HydrophobicContact CE2-CB 4.41Å; F101-I179 HydrophobicContact CE2-CD1 3.81Å; F101-F180 PolarHBondContact N-O 2.94Å; F101-V181 HydrophobicContact CB-CB 4.16Å; F101-V181 HydrophobicContact CB-CG2 3.99Å; F101-V181 CarbonylContact O-C 3.58Å; F101-V181 WeakPolarHBondContact O-CA 3.29Å; F101-V182 PolarHBondContact O-N 2.9Å; F101-F197 HydrophobicContact CB-CD2 3.8Å; F101-F197 HydrophobicContact CB-CE2 3.87Å; F101-F197 HydrophobicContact CD1-CD2 4.29Å; F101-F197 HydrophobicContact CG-CD2 4.19Å; F101-F197 HydrophobicContact CG-CE2 4.11Å; F101-E201 HydrophobicContact CD1-CB 4.09Å; F101-E201 HydrophobicContact CD1-CG 4.2Å; F101-E201 WeakPolarHBondContact CD1-OE2 3.44Å; F101-E201 HydrophobicContact CE1-CB 4.04Å; F101-E201 HydrophobicContact CE1-CG 4.23Å; F101-L205 HydrophobicContact CE2-CD2 4.16Å; F101-L205 HydrophobicContact CZ-CD2 3.89Å
102	H	98.1	Very high	83.8	Confident	30 Å²	30	62.2 Å²	62.2	14%	0.139	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	159	175.7	65.9	95.9	0	0	0	113.9	V105 M106 I109 E123 V182	H102-V105 HydrophobicContact CB-CG2 3.71Å; H102-M106 VanDerWaalsContact CE1-SD 3.57Å; H102-I109 HydrophobicContact CB-CD1 4.02Å; H102-I109 HydrophobicContact CB-CG1 3.59Å; H102-E123 IonicContact CD2-OE2 3.46Å; H102-E123 IonicContact CE1-OE1 2.82Å; H102-E123 PolarHBondContact CE1-OE1 2.81Å; H102-E123 VanDerWaalsContact NE2-CD 3.3Å; H102-E123 IonicContact NE2-OE1 2.61Å; H102-E123 PolarHBondContact NE2-OE1 2.84Å; H102-E123 IonicContact NE2-OE2 3.99Å; H102-E123 PolarHBondContact NE2-OE2 2.87Å; H102-E123 VanDerWaalsContact NE2-OE2 3.13Å; H102-V182 CarbonylContact C-O 3.58Å; H102-V182 VanDerWaalsContact CA-O 3.22Å; H102-V182 WeakPolarHBondContact CA-O 3.24Å; H102-V182 HydrophobicContact CB-CB 4.32Å
103	S	97.7	Very high	85.6	Confident	16 Å²	16	54.8 Å²	54.8	11%	0.112	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	126	170.9	-156.7	0	0	0	0	110.8	V105 V182 N184	S103-V105 PolarHBondContact O-N 2.69Å; S103-V182 PolarHBondContact N-O 3.35Å; S103-N184 PolarHBondContact O-N 3.42Å
104	Q	93.9	Very high	87.3	Confident	87 Å²	87	51.9 Å²	51.9	41%	0.407	26%	0.264	S	S	.	.	S	Bend	trans	61.9	26.7	172.9	-53.9	175	98.2	0	0	114.3	N184	Q104-N184 HydrophobicContact CB-CB 4.04Å; Q104-N184 PolarHBondContact O-ND2 3Å
105	V	95.9	Very high	89.5	Confident	10 Å²	10	52 Å²	52	6%	0.061	25%	0.249	C	C	.	.			trans	-134.9	29.7	178.6	-65.5	0	0	0	0	112.5	H102 S103 N107 I108 I109 V182 N184	H102-V105 HydrophobicContact CB-CG2 3.71Å; S103-V105 PolarHBondContact O-N 2.69Å; V105-N107 VanDerWaalsContact C-N 3.32Å; V105-N107 PolarHBondContact O-N 3.41Å; V105-I108 PolarHBondContact O-N 3.4Å; V105-I109 HydrophobicContact CG2-CG1 3.95Å; V105-I109 PolarHBondContact O-N 3.33Å; V105-I109 VanDerWaalsContact O-N 3.09Å; V105-V182 HydrophobicContact CG2-CB 3.97Å; V105-V182 HydrophobicContact CG2-CG1 3.85Å; V105-V182 WeakPolarHBondContact CG2-O 3.15Å; V105-N184 HydrophobicContact CG1-CB 3.67Å
106	M	94.9	Very high	91.3	Very high	63 Å²	63	50.2 Å²	50.2	31%	0.31	24%	0.24	S	C	.	.	H	α-helix	trans	-53	-42.8	-171.5	-175.4	63.8	83.1	0	0	113.8	H102 I108 I109 R110 E123	H102-M106 VanDerWaalsContact CE1-SD 3.57Å; M106-I108 VanDerWaalsContact C-N 3.3Å; M106-I108 PolarHBondContact O-N 3.2Å; M106-I109 PolarHBondContact O-N 3.02Å; M106-R110 HydrophobicContact CG-CG 4.35Å; M106-R110 VanDerWaalsContact CG-CZ 3.42Å; M106-R110 WeakPolarHBondContact O-CB 3.22Å; M106-R110 WeakPolarHBondContact O-CG 3.11Å; M106-R110 PolarHBondContact O-N 2.79Å; M106-R110 HydrophobicContact SD-CG 4.08Å; M106-E123 HydrophobicContact SD-CG 4.25Å
107	N	94.2	Very high	93	Very high	120 Å²	120	45.7 Å²	45.7	64%	0.642	23%	0.234	S	C	*	.	H	α-helix	trans	-62.2	-38.6	-178.7	-69.7	-10.5	0	0	0	112.4	V105 G111	V105-N107 VanDerWaalsContact C-N 3.32Å; V105-N107 PolarHBondContact O-N 3.41Å; N107-G111 PolarHBondContact O-N 2.81Å
108	I	95	Very high	94.1	Very high	24 Å²	24	47.1 Å²	47.1	12%	0.123	24%	0.242	C	C	.	.	H	α-helix	trans	-71.1	-45.2	179.1	-64.5	-179.5	0	0	0	109.8	V105 M106 G111 M112 V218 F258 Y261 Q262	V105-I108 PolarHBondContact O-N 3.4Å; M106-I108 VanDerWaalsContact C-N 3.3Å; M106-I108 PolarHBondContact O-N 3.2Å; I108-G111 PolarHBondContact O-N 3.03Å; I108-M112 HydrophobicContact CG2-SD 4.13Å; I108-M112 PolarHBondContact O-N 3.2Å; I108-V218 HydrophobicContact CD1-CG1 3.74Å; I108-F258 HydrophobicContact CG2-CD1 3.44Å; I108-F258 VanDerWaalsContact CG2-CD1 3.44Å; I108-F258 HydrophobicContact CG2-CE1 3.78Å; I108-Y261 HydrophobicContact CG2-CD1 4.22Å; I108-Y261 HydrophobicContact CG2-CE1 4.5Å; I108-Q262 HydrophobicContact CD1-CG 4.16Å
109	I	95.8	Very high	94.4	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.4	-44.8	178.1	-68.8	-64	0	0	0	112	H102 V105 M106 G111 M112 C113 V182	H102-I109 HydrophobicContact CB-CD1 4.02Å; H102-I109 HydrophobicContact CB-CG1 3.59Å; V105-I109 HydrophobicContact CG2-CG1 3.95Å; V105-I109 PolarHBondContact O-N 3.33Å; V105-I109 VanDerWaalsContact O-N 3.09Å; M106-I109 PolarHBondContact O-N 3.02Å; I109-G111 VanDerWaalsContact C-N 3.28Å; I109-G111 PolarHBondContact O-N 3.26Å; I109-M112 PolarHBondContact O-N 3.31Å; I109-C113 HydrophobicContact CG2-CB 4.42Å; I109-C113 WeakPolarHBondContact O-CA 3.26Å; I109-C113 WeakPolarHBondContact O-CB 3.31Å; I109-C113 PolarHBondContact O-N 3.03Å; I109-V182 HydrophobicContact CD1-CB 3.92Å; I109-V182 HydrophobicContact CD1-CG1 4.45Å; I109-V182 HydrophobicContact CD1-CG2 3.65Å
110	R	95.2	Very high	94.3	Very high	36 Å²	36	44.3 Å²	44.3	14%	0.136	23%	0.229	C	C	.	.	I	π-helix	trans	-62.7	-37.7	174.4	-73.9	-176.4	179.4	141	9	111.7	M106 K114 R115 D132 E133	M106-R110 HydrophobicContact CG-CG 4.35Å; M106-R110 VanDerWaalsContact CG-CZ 3.42Å; M106-R110 WeakPolarHBondContact O-CB 3.22Å; M106-R110 WeakPolarHBondContact O-CG 3.11Å; M106-R110 PolarHBondContact O-N 2.79Å; M106-R110 HydrophobicContact SD-CG 4.08Å; R110-K114 VanDerWaalsContact O-CB 3.31Å; R110-K114 WeakPolarHBondContact O-CB 3.11Å; R110-K114 PolarHBondContact O-N 3.31Å; R110-R115 PolarHBondContact O-N 2.91Å; R110-D132 IonicContact CZ-OD1 3.92Å; R110-D132 VanDerWaalsContact CZ-OD1 3.26Å; R110-D132 IonicContact NE-OD1 3.79Å; R110-D132 PolarHBondContact NE-OD1 3.4Å; R110-D132 IonicContact NE-OD2 3.1Å; R110-D132 PolarHBondContact NE-OD2 3.31Å; R110-D132 IonicContact NH2-OD1 2.67Å; R110-D132 PolarHBondContact NH2-OD1 3.28Å; R110-E133 IonicContact CZ-OE1 2.91Å; R110-E133 IonicContact NE-OE1 2.72Å; R110-E133 VanDerWaalsContact NH1-CG 3.32Å; R110-E133 IonicContact NH1-OE1 3.74Å; R110-E133 PolarHBondContact NH1-OE1 2.92Å
111	G	94.6	Very high	94.3	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.225	C	C	.	.	I	π-helix	trans	-60.8	-56.1	173.3	0	0	0	0	0	113.1	N107 I108 I109 R115 L116 Y261	N107-G111 PolarHBondContact O-N 2.81Å; I108-G111 PolarHBondContact O-N 3.03Å; I109-G111 VanDerWaalsContact C-N 3.28Å; I109-G111 PolarHBondContact O-N 3.26Å; G111-R115 VanDerWaalsContact CA-NH1 3.31Å; G111-R115 WeakPolarHBondContact O-CB 3.45Å; G111-R115 PolarHBondContact O-N 3.29Å; G111-L116 WeakPolarHBondContact O-CG 3.3Å; G111-L116 PolarHBondContact O-N 2.87Å; G111-Y261 VanDerWaalsContact CA-OH 3.28Å; G111-Y261 WeakPolarHBondContact CA-OH 3.34Å
112	M	93.5	Very high	94.2	Very high	11 Å²	11	43.8 Å²	43.8	5%	0.054	23%	0.227	C	C	.	.	I	π-helix	trans	-76.3	-52.9	-173.6	-68.1	-173.7	67.6	0	0	112.8	I108 I109 L116 G117 V118 E257 F258 Y261	I108-M112 HydrophobicContact CG2-SD 4.13Å; I108-M112 PolarHBondContact O-N 3.2Å; I109-M112 PolarHBondContact O-N 3.31Å; M112-L116 CarbonylContact O-C 3.55Å; M112-L116 WeakPolarHBondContact O-CB 3.38Å; M112-G117 PolarHBondContact O-N 3.26Å; M112-G117 VanDerWaalsContact O-N 3.13Å; M112-V118 HydrophobicContact CB-CG2 3.86Å; M112-V118 HydrophobicContact CE-CG2 4Å; M112-V118 WeakPolarHBondContact O-CG2 3.47Å; M112-V118 PolarHBondContact O-N 2.99Å; M112-V118 VanDerWaalsContact O-N 3.15Å; M112-E257 HydrophobicContact CE-CB 4.12Å; M112-E257 HydrophobicContact CE-CG 4.11Å; M112-F258 HydrophobicContact CE-CD1 4.2Å; M112-F258 HydrophobicContact CE-CE1 4.09Å; M112-F258 HydrophobicContact CE-CE2 4.39Å; M112-F258 HydrophobicContact CE-CG 4.46Å; M112-F258 HydrophobicContact CE-CZ 4.17Å; M112-F258 HydrophobicContact SD-CD1 3.22Å; M112-F258 WeakPolarHBondContact SD-CD1 3.34Å; M112-F258 HydrophobicContact SD-CE1 3.29Å; M112-F258 WeakPolarHBondContact SD-CE1 3.34Å; M112-F258 HydrophobicContact SD-CG 3.93Å; M112-F258 HydrophobicContact SD-CZ 3.98Å; M112-Y261 HydrophobicContact CG-CD1 4.06Å; M112-Y261 HydrophobicContact CG-CD2 3.68Å; M112-Y261 HydrophobicContact CG-CE2 4.22Å; M112-Y261 HydrophobicContact CG-CG 3.6Å; M112-Y261 HydrophobicContact SD-CD1 4.4Å; M112-Y261 HydrophobicContact SD-CG 4.04Å
113	C	93.4	Very high	94.1	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.02	22%	0.222	C	C	.	.	I	π-helix	trans	-78.8	-46	-173	-54.2	0	0	0	0	111.6	I109 G117 C119 T124	I109-C113 HydrophobicContact CG2-CB 4.42Å; I109-C113 WeakPolarHBondContact O-CA 3.26Å; I109-C113 WeakPolarHBondContact O-CB 3.31Å; I109-C113 PolarHBondContact O-N 3.03Å; C113-G117 VanDerWaalsContact O-CA 3.28Å; C113-G117 WeakPolarHBondContact O-CA 3.45Å; C113-G117 PolarHBondContact O-N 3.07Å; C113-C119 WeakPolarHBondContact CA-O 3.34Å; C113-C119 WeakPolarHBondContact CA-SG 3.47Å; C113-C119 HydrophobicContact CB-CB 4.09Å; C113-C119 VanDerWaalsContact CB-O 3.23Å; C113-C119 WeakPolarHBondContact CB-O 3.36Å; C113-C119 WeakPolarHBondContact CB-SG 3.5Å; C113-C119 PolarHBondContact N-SG 2.87Å; C113-C119 VanDerWaalsContact N-SG 3.35Å; C113-C119 WeakPolarHBondContact SG-CB 3.28Å; C113-C119 CovalentContact SG-SG 2.04Å; C113-C119 PolarHBondContact SG-SG 2.9Å; C113-T124 HydrophobicContact CB-CG2 3.79Å
114	K	91.4	Very high	94	Very high	65 Å²	65	43.5 Å²	43.5	28%	0.283	23%	0.226	S	C	.	.	I	π-helix	trans	-84.6	-48.5	-175.5	179.8	-174	179.2	-175.8	0	113.1	R110 T124 D132 E133	R110-K114 VanDerWaalsContact O-CB 3.31Å; R110-K114 WeakPolarHBondContact O-CB 3.11Å; R110-K114 PolarHBondContact O-N 3.31Å; K114-T124 HydrophobicContact CB-CG2 4.21Å; K114-D132 IonicContact NZ-OD2 2.81Å; K114-D132 PolarHBondContact NZ-OD2 3.24Å; K114-E133 IonicContact NZ-OE2 3.15Å; K114-E133 PolarHBondContact NZ-OE2 3.27Å
115	R	91.9	Very high	94	Very high	146 Å²	146	39.3 Å²	39.3	55%	0.551	21%	0.207	S	C	*	.	I	π-helix	trans	-81.7	-44.2	-176.7	-59.2	-179.1	-138.6	121.2	7.2	113	R110 G111 Y261	R110-R115 PolarHBondContact O-N 2.91Å; G111-R115 VanDerWaalsContact CA-NH1 3.31Å; G111-R115 WeakPolarHBondContact O-CB 3.45Å; G111-R115 PolarHBondContact O-N 3.29Å; R115-Y261 PolarHBondContact NH1-OH 2.85Å
116	L	91.9	Very high	94.1	Very high	104 Å²	104	38.9 Å²	38.9	55%	0.545	20%	0.204	S	C	.	.	S	Bend	trans	-89.7	-15.8	-179.5	-60.7	178.1	0	0	0	113.7	G111 M112 V118 Y261	G111-L116 WeakPolarHBondContact O-CG 3.3Å; G111-L116 PolarHBondContact O-N 2.87Å; M112-L116 CarbonylContact O-C 3.55Å; M112-L116 WeakPolarHBondContact O-CB 3.38Å; L116-V118 VanDerWaalsContact C-N 3.27Å; L116-V118 HydrophobicContact CB-CG1 3.92Å; L116-V118 PolarHBondContact O-N 3.1Å; L116-Y261 HydrophobicContact CD1-CD2 3.73Å; L116-Y261 HydrophobicContact CD1-CE2 4.03Å
117	G	90.1	Very high	94.2	Very high	56 Å²	56	35.9 Å²	35.9	58%	0.577	19%	0.189	S	C	*	.			trans	69.2	19.1	178.3	0	0	0	0	0	114.7	M112 C113	M112-G117 PolarHBondContact O-N 3.26Å; M112-G117 VanDerWaalsContact O-N 3.13Å; C113-G117 VanDerWaalsContact O-CA 3.28Å; C113-G117 WeakPolarHBondContact O-CA 3.45Å; C113-G117 PolarHBondContact O-N 3.07Å
118	V	90.5	Very high	94.4	Very high	89 Å²	89	30.1 Å²	30.1	54%	0.539	16%	0.159	S	C	.	.			trans	-89	-4.6	-172.2	-55.7	0	0	0	0	114.2	M112 L116	M112-V118 HydrophobicContact CB-CG2 3.86Å; M112-V118 HydrophobicContact CE-CG2 4Å; M112-V118 WeakPolarHBondContact O-CG2 3.47Å; M112-V118 PolarHBondContact O-N 2.99Å; M112-V118 VanDerWaalsContact O-N 3.15Å; L116-V118 VanDerWaalsContact C-N 3.27Å; L116-V118 HydrophobicContact CB-CG1 3.92Å; L116-V118 PolarHBondContact O-N 3.1Å
119	C	92.1	Very high	94.5	Very high	12 Å²	12	30.6 Å²	30.6	8%	0.081	16%	0.159	C	C	.	.	S	Bend	trans	-153	161.4	178.2	42.8	0	0	0	0	110.7	Y100 C113	Y100-C119 HydrophobicContact CD1-CB 4.24Å; Y100-C119 HydrophobicContact CD2-CB 3.48Å; Y100-C119 VanDerWaalsContact CD2-CB 3.48Å; Y100-C119 HydrophobicContact CE1-CB 4.34Å; Y100-C119 HydrophobicContact CE2-CB 3.61Å; Y100-C119 HydrophobicContact CG-CB 3.84Å; C113-C119 WeakPolarHBondContact CA-O 3.34Å; C113-C119 WeakPolarHBondContact CA-SG 3.47Å; C113-C119 HydrophobicContact CB-CB 4.09Å; C113-C119 VanDerWaalsContact CB-O 3.23Å; C113-C119 WeakPolarHBondContact CB-O 3.36Å; C113-C119 WeakPolarHBondContact CB-SG 3.5Å; C113-C119 PolarHBondContact N-SG 2.87Å; C113-C119 VanDerWaalsContact N-SG 3.35Å; C113-C119 WeakPolarHBondContact SG-CB 3.28Å; C113-C119 CovalentContact SG-SG 2.04Å; C113-C119 PolarHBondContact SG-SG 2.9Å
120	R	94.5	Very high	94.7	Very high	39 Å²	39	30.6 Å²	30.6	15%	0.147	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	109.8	175.3	177.9	173.3	176.4	80.3	1.4	109.6	E86 T97 Y100 T124 Y171	E86-R120 IonicContact OE1-CZ 3.2Å; E86-R120 IonicContact OE1-NH1 3.52Å; E86-R120 PolarHBondContact OE1-NH1 2.95Å; E86-R120 IonicContact OE1-NH2 3.2Å; E86-R120 PolarHBondContact OE1-NH2 2.82Å; E86-R120 IonicContact OE2-NH2 3.26Å; E86-R120 PolarHBondContact OE2-NH2 2.8Å; T97-R120 WeakPolarHBondContact OG1-CB 3.29Å; T97-R120 WeakPolarHBondContact OG1-CD 3.3Å; Y100-R120 PolarHBondContact N-O 2.87Å; R120-T124 WeakPolarHBondContact CA-OG1 3.3Å; R120-Y171 PolarHBondContact O-OH 3.44Å
121	S	96.3	Very high	94.8	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	178.3	172.6	74.1	0	0	0	0	111.2	Y100 E123 T124 T125	Y100-S121 WeakPolarHBondContact O-CA 3.35Å; S121-E123 WeakPolarHBondContact CB-OE2 3.34Å; S121-E123 PolarHBondContact O-N 3.5Å; S121-E123 PolarHBondContact OG-N 2.8Å; S121-E123 PolarHBondContact OG-OE2 3.35Å; S121-T124 PolarHBondContact N-OG1 2.8Å; S121-T124 PolarHBondContact O-N 3.13Å; S121-T124 VanDerWaalsContact O-N 3.17Å; S121-T124 PolarHBondContact O-OG1 3.4Å; S121-T125 WeakPolarHBondContact O-CG2 3.45Å; S121-T125 PolarHBondContact O-N 3.35Å
122	L	97.2	Very high	94.9	Very high	9 Å²	9	28.9 Å²	28.9	5%	0.047	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-55.1	-43.5	172.8	178	56.9	0	0	0	111.2	F83 T124 T125 G128 W164 A167 Y171	F83-L122 HydrophobicContact CZ-CD1 4.09Å; L122-T124 PolarHBondContact O-N 2.85Å; L122-T124 VanDerWaalsContact O-N 3.16Å; L122-T125 HydrophobicContact CD1-CG2 4.49Å; L122-T125 WeakPolarHBondContact O-CB 3.39Å; L122-T125 WeakPolarHBondContact O-CG2 3.46Å; L122-T125 PolarHBondContact O-N 2.83Å; L122-T125 PolarHBondContact O-OG1 3.36Å; L122-G128 WeakPolarHBondContact O-CA 3.22Å; L122-W164 HydrophobicContact CD2-CE3 3.87Å; L122-W164 HydrophobicContact CD2-CZ3 4.03Å; L122-W164 HydrophobicContact CG-CE3 4.46Å; L122-W164 HydrophobicContact CG-CZ3 4.13Å; L122-A167 HydrophobicContact CD1-CB 4.1Å; L122-A167 HydrophobicContact CD2-CB 4.23Å; L122-Y171 HydrophobicContact CB-CD1 4.21Å; L122-Y171 HydrophobicContact CB-CE1 4.48Å; L122-Y171 HydrophobicContact CB-CG 4.39Å; L122-Y171 HydrophobicContact CD1-CD2 4.31Å; L122-Y171 HydrophobicContact CD1-CG 3.97Å
123	E	96.1	Very high	94.9	Very high	6 Å²	6	33.9 Å²	33.9	3%	0.028	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-65.7	-17.5	-177.9	-60.1	75.1	-163.8	0	0	113.4	H102 M106 S121 G128 Y129	H102-E123 IonicContact CD2-OE2 3.46Å; H102-E123 IonicContact CE1-OE1 2.82Å; H102-E123 PolarHBondContact CE1-OE1 2.81Å; H102-E123 VanDerWaalsContact NE2-CD 3.3Å; H102-E123 IonicContact NE2-OE1 2.61Å; H102-E123 PolarHBondContact NE2-OE1 2.84Å; H102-E123 IonicContact NE2-OE2 3.99Å; H102-E123 PolarHBondContact NE2-OE2 2.87Å; H102-E123 VanDerWaalsContact NE2-OE2 3.13Å; M106-E123 HydrophobicContact SD-CG 4.25Å; S121-E123 WeakPolarHBondContact CB-OE2 3.34Å; S121-E123 PolarHBondContact O-N 3.5Å; S121-E123 PolarHBondContact OG-N 2.8Å; S121-E123 PolarHBondContact OG-OE2 3.35Å; E123-G128 CarbonylContact O-C 3.55Å; E123-Y129 WeakPolarHBondContact O-CA 3.34Å; E123-Y129 PolarHBondContact O-N 3.17Å
124	T	94.7	Very high	95	Very high	33 Å²	33	34.3 Å²	34.3	20%	0.202	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-95.5	-4.6	176.4	67.7	0	0	0	0	113.3	C113 K114 R120 S121 L122	C113-T124 HydrophobicContact CB-CG2 3.79Å; K114-T124 HydrophobicContact CB-CG2 4.21Å; R120-T124 WeakPolarHBondContact CA-OG1 3.3Å; S121-T124 PolarHBondContact N-OG1 2.8Å; S121-T124 PolarHBondContact O-N 3.13Å; S121-T124 VanDerWaalsContact O-N 3.17Å; S121-T124 PolarHBondContact O-OG1 3.4Å; L122-T124 PolarHBondContact O-N 2.85Å; L122-T124 VanDerWaalsContact O-N 3.16Å
125	T	95.7	Very high	95	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.182	C	C	.	.	S	Bend	trans	-73.2	164.8	171.9	68	0	0	0	0	110	F83 E86 S121 L122 G128 Y129 Y171	F83-T125 HydrophobicContact CE1-CG2 3.64Å; F83-T125 HydrophobicContact CZ-CG2 4.01Å; E86-T125 WeakPolarHBondContact OE2-CB 3.23Å; S121-T125 WeakPolarHBondContact O-CG2 3.45Å; S121-T125 PolarHBondContact O-N 3.35Å; L122-T125 HydrophobicContact CD1-CG2 4.49Å; L122-T125 WeakPolarHBondContact O-CB 3.39Å; L122-T125 WeakPolarHBondContact O-CG2 3.46Å; L122-T125 PolarHBondContact O-N 2.83Å; L122-T125 PolarHBondContact O-OG1 3.36Å; T125-G128 PolarHBondContact O-N 3.11Å; T125-G128 PolarHBondContact OG1-N 3.15Å; T125-G128 VanDerWaalsContact OG1-N 3.13Å; T125-Y129 WeakPolarHBondContact O-CB 3.46Å; T125-Y129 PolarHBondContact O-N 2.78Å; T125-Y171 HydrophobicContact CG2-CD2 3.65Å; T125-Y171 HydrophobicContact CG2-CE2 3.64Å
126	F	96.7	Very high	94.9	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-57.2	-52.7	177.2	-175.2	-136.5	0	0	0	113.2	W37 I46 I51 L82 L85 E86 G128 Y129 L130	W37-F126 HydrophobicContact CB-CD2 4.28Å; W37-F126 HydrophobicContact CB-CE2 4.09Å; W37-F126 AromaticContact CD1-CD2 3.87Å; W37-F126 AromaticContact CD2-CD2 3.44Å; W37-F126 HydrophobicContact CD2-CD2 3.44Å; W37-F126 VanDerWaalsContact CD2-CD2 3.44Å; W37-F126 AromaticContact CD2-CE2 3.71Å; W37-F126 HydrophobicContact CD2-CE2 3.71Å; W37-F126 HydrophobicContact CD2-CG 4.24Å; W37-F126 AromaticContact CE2-CD2 3.69Å; W37-F126 AromaticContact CE3-CD2 3.9Å; W37-F126 HydrophobicContact CE3-CD2 3.9Å; W37-F126 AromaticContact CE3-CE2 3.8Å; W37-F126 HydrophobicContact CE3-CE2 3.8Å; W37-F126 HydrophobicContact CE3-CZ 4.38Å; W37-F126 AromaticContact CG-CD2 3.6Å; W37-F126 HydrophobicContact CG-CD2 3.6Å; W37-F126 AromaticContact CG-CE2 3.84Å; W37-F126 HydrophobicContact CG-CE2 3.84Å; W37-F126 HydrophobicContact CZ2-CB 4.21Å; W37-F126 HydrophobicContact CZ2-CD2 4.35Å; W37-F126 HydrophobicContact CZ2-CG 4.36Å; W37-F126 AromaticContact NE1-CD2 3.91Å; I46-F126 HydrophobicContact CD1-CE1 4.41Å; I46-F126 HydrophobicContact CD1-CZ 4.36Å; I46-F126 HydrophobicContact CG2-CZ 4.31Å; I51-F126 HydrophobicContact CD1-CE1 3.77Å; I51-F126 HydrophobicContact CD1-CZ 3.7Å; L82-F126 HydrophobicContact CB-CD1 4.09Å; L82-F126 HydrophobicContact CD2-CD1 4.04Å; L82-F126 HydrophobicContact CD2-CE1 3.71Å; L85-F126 HydrophobicContact CB-CD1 4.42Å; L85-F126 HydrophobicContact CB-CE1 4.4Å; L85-F126 HydrophobicContact CD1-CE1 4.2Å; E86-F126 HydrophobicContact CB-CB 3.82Å; E86-F126 HydrophobicContact CG-CB 4.27Å; E86-F126 PolarHBondContact OE2-N 2.95Å; F126-G128 VanDerWaalsContact C-N 3.33Å; F126-G128 PolarHBondContact O-N 3.4Å; F126-Y129 PolarHBondContact O-N 3.06Å; F126-L130 HydrophobicContact CD2-CD1 4.29Å; F126-L130 HydrophobicContact CD2-CD2 4.4Å; F126-L130 HydrophobicContact CD2-CG 4.13Å; F126-L130 HydrophobicContact CE1-CD1 4.27Å; F126-L130 HydrophobicContact CE2-CD1 3.89Å; F126-L130 HydrophobicContact CE2-CD2 3.84Å; F126-L130 HydrophobicContact CE2-CG 3.92Å; F126-L130 HydrophobicContact CZ-CD1 3.87Å; F126-L130 HydrophobicContact CZ-CD2 4.44Å; F126-L130 HydrophobicContact CZ-CG 4.41Å; F126-L130 VanDerWaalsContact O-CG 3.31Å; F126-L130 WeakPolarHBondContact O-CG 3.15Å; F126-L130 PolarHBondContact O-N 2.79Å; F126-L130 VanDerWaalsContact O-N 3.12Å
127	P	98.2	Very high	94.5	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-38.4	175.8	21.7	-30.8	0	0	0	112.9	V79 L82 F83 F131 F163	V79-P127 HydrophobicContact CG1-CB 4.43Å; V79-P127 HydrophobicContact CG1-CG 4.42Å; L82-P127 HydrophobicContact CB-CB 3.99Å; L82-P127 HydrophobicContact CB-CG 4.19Å; L82-P127 HydrophobicContact CD1-CB 3.76Å; F83-P127 HydrophobicContact CD1-CG 4.44Å; F83-P127 HydrophobicContact CD2-CG 3.69Å; F83-P127 HydrophobicContact CE1-CG 4.21Å; F83-P127 HydrophobicContact CE2-CG 3.42Å; F83-P127 VanDerWaalsContact CE2-CG 3.42Å; F83-P127 HydrophobicContact CG-CG 4.2Å; F83-P127 HydrophobicContact CZ-CG 3.7Å; P127-F131 WeakPolarHBondContact O-CD2 3.2Å; P127-F131 PolarHBondContact O-N 3.01Å; P127-F163 HydrophobicContact CB-CZ 4.44Å
128	G	98	Very high	94.4	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-62.4	-49.1	176.6	0	0	0	0	0	112.1	L122 E123 T125 F126 L130 F131 D132	L122-G128 WeakPolarHBondContact O-CA 3.22Å; E123-G128 CarbonylContact O-C 3.55Å; T125-G128 PolarHBondContact O-N 3.11Å; T125-G128 PolarHBondContact OG1-N 3.15Å; T125-G128 VanDerWaalsContact OG1-N 3.13Å; F126-G128 VanDerWaalsContact C-N 3.33Å; F126-G128 PolarHBondContact O-N 3.4Å; G128-L130 VanDerWaalsContact C-N 3.33Å; G128-L130 PolarHBondContact O-N 2.74Å; G128-F131 PolarHBondContact O-N 2.71Å; G128-D132 WeakPolarHBondContact O-CA 3.23Å; G128-D132 WeakPolarHBondContact O-CB 3.49Å; G128-D132 PolarHBondContact O-N 2.81Å
129	Y	97.3	Very high	94.1	Very high	34 Å²	34	22.5 Å²	22.5	13%	0.133	12%	0.122	C	C	.	.	H	α-helix	trans	-58.3	-44	-179.2	175.5	-103.9	0	0	0	112	R33 Q36 W37 E123 T125 F126 F131	R33-Y129 HydrophobicContact CB-CD1 4.25Å; R33-Y129 HydrophobicContact CB-CE1 3.69Å; R33-Y129 WeakPolarHBondContact CD-O 3.46Å; R33-Y129 HydrophobicContact CG-CE1 4.22Å; R33-Y129 PolarHBondContact NH1-O 3.16Å; R33-Y129 VanDerWaalsContact O-CE1 3.31Å; R33-Y129 WeakPolarHBondContact O-CE1 3.46Å; Q36-Y129 PolarHBondContact OE1-OH 2.61Å; Q36-Y129 VanDerWaalsContact OE1-OH 3.08Å; W37-Y129 HydrophobicContact CB-CD1 4.02Å; W37-Y129 HydrophobicContact CB-CE1 3.83Å; W37-Y129 AromaticContact CD1-CD1 3.89Å; W37-Y129 HydrophobicContact CG-CD1 4.3Å; E123-Y129 WeakPolarHBondContact O-CA 3.34Å; E123-Y129 PolarHBondContact O-N 3.17Å; T125-Y129 WeakPolarHBondContact O-CB 3.46Å; T125-Y129 PolarHBondContact O-N 2.78Å; F126-Y129 PolarHBondContact O-N 3.06Å; Y129-F131 PolarHBondContact O-N 3.19Å
130	L	98.5	Very high	93.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-59.3	-44.8	178.1	-68.4	-177.2	0	0	0	112.3	R33 C34 I51 L82 F126 G128 L134	R33-L130 HydrophobicContact CB-CD2 4.06Å; R33-L130 WeakPolarHBondContact CD-O 3.33Å; R33-L130 PolarHBondContact NH1-O 2.73Å; C34-L130 HydrophobicContact CB-CD2 3.65Å; I51-L130 HydrophobicContact CG2-CD1 4.05Å; L82-L130 HydrophobicContact CD1-CD1 4.12Å; L82-L130 HydrophobicContact CD2-CD1 4.39Å; F126-L130 HydrophobicContact CD2-CD1 4.29Å; F126-L130 HydrophobicContact CD2-CD2 4.4Å; F126-L130 HydrophobicContact CD2-CG 4.13Å; F126-L130 HydrophobicContact CE1-CD1 4.27Å; F126-L130 HydrophobicContact CE2-CD1 3.89Å; F126-L130 HydrophobicContact CE2-CD2 3.84Å; F126-L130 HydrophobicContact CE2-CG 3.92Å; F126-L130 HydrophobicContact CZ-CD1 3.87Å; F126-L130 HydrophobicContact CZ-CD2 4.44Å; F126-L130 HydrophobicContact CZ-CG 4.41Å; F126-L130 VanDerWaalsContact O-CG 3.31Å; F126-L130 WeakPolarHBondContact O-CG 3.15Å; F126-L130 PolarHBondContact O-N 2.79Å; F126-L130 VanDerWaalsContact O-N 3.12Å; G128-L130 VanDerWaalsContact C-N 3.33Å; G128-L130 PolarHBondContact O-N 2.74Å; L130-L134 WeakPolarHBondContact O-CD1 3.37Å
131	F	98	Very high	93.7	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-108.4	-2.6	-167.4	-65.4	-79.9	0	0	0	115.2	V30 F55 F78 L82 P127 G128 Y129 E133 L134 W136 F163 W164	V30-F131 HydrophobicContact CG1-CE1 4.22Å; V30-F131 HydrophobicContact CG1-CZ 4.04Å; V30-F131 HydrophobicContact CG2-CD1 4.03Å; V30-F131 HydrophobicContact CG2-CE1 3.74Å; V30-F131 HydrophobicContact CG2-CZ 4.38Å; F55-F131 HydrophobicContact CB-CZ 4.21Å; F55-F131 AromaticContact CD1-CE1 3.74Å; F55-F131 HydrophobicContact CD1-CE1 3.74Å; F55-F131 HydrophobicContact CD1-CZ 4.05Å; F55-F131 AromaticContact CD2-CE1 3.71Å; F55-F131 HydrophobicContact CD2-CE1 3.71Å; F55-F131 HydrophobicContact CD2-CE2 4.44Å; F55-F131 AromaticContact CD2-CZ 3.54Å; F55-F131 HydrophobicContact CD2-CZ 3.54Å; F55-F131 HydrophobicContact CE1-CD1 4.41Å; F55-F131 AromaticContact CE1-CE1 3.56Å; F55-F131 HydrophobicContact CE1-CE1 3.56Å; F55-F131 HydrophobicContact CE1-CZ 4.29Å; F55-F131 HydrophobicContact CE2-CD1 4.19Å; F55-F131 AromaticContact CE2-CE1 3.54Å; F55-F131 HydrophobicContact CE2-CE1 3.54Å; F55-F131 AromaticContact CE2-CZ 3.82Å; F55-F131 HydrophobicContact CE2-CZ 3.82Å; F55-F131 AromaticContact CG-CE1 3.8Å; F55-F131 HydrophobicContact CG-CE1 3.8Å; F55-F131 AromaticContact CG-CZ 3.66Å; F55-F131 HydrophobicContact CG-CZ 3.66Å; F55-F131 HydrophobicContact CZ-CD1 4.03Å; F55-F131 AromaticContact CZ-CE1 3.46Å; F55-F131 HydrophobicContact CZ-CE1 3.46Å; F55-F131 VanDerWaalsContact CZ-CE1 3.46Å; F55-F131 HydrophobicContact CZ-CZ 4.19Å; F78-F131 AromaticContact CE1-CE2 3.78Å; F78-F131 HydrophobicContact CE1-CE2 3.78Å; F78-F131 AromaticContact CE1-CZ 3.99Å; F78-F131 HydrophobicContact CE1-CZ 3.99Å; F78-F131 HydrophobicContact CZ-CE2 4.02Å; F78-F131 HydrophobicContact CZ-CZ 4.02Å; L82-F131 HydrophobicContact CD1-CE2 4.27Å; P127-F131 WeakPolarHBondContact O-CD2 3.2Å; P127-F131 PolarHBondContact O-N 3.01Å; G128-F131 PolarHBondContact O-N 2.71Å; Y129-F131 PolarHBondContact O-N 3.19Å; F131-E133 PolarHBondContact O-N 3.43Å; F131-L134 WeakPolarHBondContact O-CB 3.32Å; F131-L134 PolarHBondContact O-N 3.08Å; F131-L134 VanDerWaalsContact O-N 3.11Å; F131-W136 HydrophobicContact CD1-CZ3 4.05Å; F131-F163 HydrophobicContact CB-CD1 4.41Å; F131-F163 HydrophobicContact CB-CE1 3.6Å; F131-F163 HydrophobicContact CB-CZ 3.72Å; F131-F163 HydrophobicContact CD2-CE1 4.12Å; F131-F163 AromaticContact CD2-CE2 3.66Å; F131-F163 HydrophobicContact CD2-CE2 3.66Å; F131-F163 AromaticContact CD2-CZ 3.3Å; F131-F163 HydrophobicContact CD2-CZ 3.3Å; F131-F163 AromaticContact CE2-CE2 3.99Å; F131-F163 HydrophobicContact CE2-CE2 3.99Å; F131-F163 HydrophobicContact CE2-CZ 4.09Å; F131-F163 HydrophobicContact CG-CE1 4.01Å; F131-F163 HydrophobicContact CG-CE2 4.11Å; F131-F163 AromaticContact CG-CZ 3.64Å; F131-F163 HydrophobicContact CG-CZ 3.64Å; F131-W164 HydrophobicContact CB-CZ2 4.49Å
132	D	96.4	Very high	93.3	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	135.3	-179.6	-173.6	38.8	0	0	0	111.4	R33 R110 K114 G128 L134 W164	R33-D132 PolarHBondContact NH1-O 3.05Å; R33-D132 PolarHBondContact NH2-O 2.76Å; R110-D132 IonicContact CZ-OD1 3.92Å; R110-D132 VanDerWaalsContact CZ-OD1 3.26Å; R110-D132 IonicContact NE-OD1 3.79Å; R110-D132 PolarHBondContact NE-OD1 3.4Å; R110-D132 IonicContact NE-OD2 3.1Å; R110-D132 PolarHBondContact NE-OD2 3.31Å; R110-D132 IonicContact NH2-OD1 2.67Å; R110-D132 PolarHBondContact NH2-OD1 3.28Å; K114-D132 IonicContact NZ-OD2 2.81Å; K114-D132 PolarHBondContact NZ-OD2 3.24Å; G128-D132 WeakPolarHBondContact O-CA 3.23Å; G128-D132 WeakPolarHBondContact O-CB 3.49Å; G128-D132 PolarHBondContact O-N 2.81Å; D132-L134 PolarHBondContact O-N 3.37Å; D132-L134 VanDerWaalsContact O-N 3.15Å; D132-W164 HydrophobicContact CB-CH2 4.39Å
133	E	94.5	Very high	92.7	Very high	115 Å²	115	26 Å²	26	54%	0.537	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	7.9	-179	-60.2	175.6	121.4	0	0	115.3	R110 K114 F131	R110-E133 IonicContact CZ-OE1 2.91Å; R110-E133 IonicContact NE-OE1 2.72Å; R110-E133 VanDerWaalsContact NH1-CG 3.32Å; R110-E133 IonicContact NH1-OE1 3.74Å; R110-E133 PolarHBondContact NH1-OE1 2.92Å; K114-E133 IonicContact NZ-OE2 3.15Å; K114-E133 PolarHBondContact NZ-OE2 3.27Å; F131-E133 PolarHBondContact O-N 3.43Å
134	L	94.7	Very high	91.8	Very high	12 Å²	12	30.9 Å²	30.9	6%	0.063	18%	0.179	C	C	.	.			trans	-93.4	134.8	176.7	-52.6	-175.3	0	0	0	111.3	L26 I29 V30 L130 F131 D132 L141	L26-L134 HydrophobicContact CD1-CB 4.11Å; L26-L134 HydrophobicContact CD1-CD1 3.88Å; I29-L134 HydrophobicContact CD1-CD2 4.1Å; I29-L134 HydrophobicContact CG2-CD1 3.98Å; I29-L134 HydrophobicContact CG2-CD2 3.94Å; V30-L134 HydrophobicContact CG2-CD1 3.65Å; L130-L134 WeakPolarHBondContact O-CD1 3.37Å; F131-L134 WeakPolarHBondContact O-CB 3.32Å; F131-L134 PolarHBondContact O-N 3.08Å; F131-L134 VanDerWaalsContact O-N 3.11Å; D132-L134 PolarHBondContact O-N 3.37Å; D132-L134 VanDerWaalsContact O-N 3.15Å; L134-L141 HydrophobicContact CB-CD2 4.3Å; L134-L141 HydrophobicContact CD2-CD2 4.41Å
135	N	90.9	Very high	91.1	Very high	68 Å²	68	31.7 Å²	31.7	36%	0.364	18%	0.184	S	C	.	.			trans	-127.1	96.2	173.9	-177.4	-9.4	0	0	0	108.8	C137 N138 L141	N135-C137 PolarHBondContact O-N 2.9Å; N135-C137 VanDerWaalsContact O-N 3.09Å; N135-C137 VanDerWaalsContact OD1-CB 3.3Å; N135-C137 WeakPolarHBondContact OD1-CB 3.39Å; N135-C137 PolarHBondContact OD1-N 2.85Å; N135-N138 VanDerWaalsContact O-CB 3.23Å; N135-N138 WeakPolarHBondContact O-CB 3.17Å; N135-N138 PolarHBondContact O-N 2.99Å; N135-L141 WeakPolarHBondContact O-CD2 3.48Å
136	W	89.6	Confident	89.9	Confident	4 Å²	4	40.2 Å²	40.2	2%	0.015	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	10.5	-179.7	55.4	88.5	0	0	0	114.5	L26 F55 L59 F75 F131 T142 V159 V160 F163	L26-W136 HydrophobicContact CD1-CB 4.28Å; L26-W136 HydrophobicContact CD2-CB 3.36Å; L26-W136 HydrophobicContact CD2-CG 4.41Å; L26-W136 HydrophobicContact CG-CB 4.46Å; F55-W136 HydrophobicContact CE2-CH2 4.34Å; F55-W136 HydrophobicContact CE2-CZ2 4.31Å; F55-W136 AromaticContact CZ-CD2 3.95Å; F55-W136 HydrophobicContact CZ-CD2 3.95Å; F55-W136 AromaticContact CZ-CE2 3.96Å; F55-W136 HydrophobicContact CZ-CE3 4.01Å; F55-W136 HydrophobicContact CZ-CH2 4.08Å; F55-W136 AromaticContact CZ-CZ2 4Å; F55-W136 HydrophobicContact CZ-CZ2 4Å; F55-W136 HydrophobicContact CZ-CZ3 4.09Å; L59-W136 HydrophobicContact CD1-CG 4.45Å; F75-W136 HydrophobicContact CZ-CZ2 4.31Å; F131-W136 HydrophobicContact CD1-CZ3 4.05Å; W136-T142 HydrophobicContact CB-CG2 4.37Å; W136-T142 WeakPolarHBondContact O-CG2 3.49Å; W136-V159 WeakPolarHBondContact CZ2-O 3.2Å; W136-V159 VanDerWaalsContact NE1-CG1 3.32Å; W136-V160 HydrophobicContact CD2-CG2 3.71Å; W136-V160 HydrophobicContact CE3-CG2 4.14Å; W136-V160 HydrophobicContact CG-CG2 4.1Å; W136-V160 HydrophobicContact CH2-CB 4.42Å; W136-V160 HydrophobicContact CH2-CG1 4.31Å; W136-V160 HydrophobicContact CH2-CG2 4.39Å; W136-V160 VanDerWaalsContact CZ2-CA 3.41Å; W136-V160 HydrophobicContact CZ2-CB 4.17Å; W136-V160 HydrophobicContact CZ2-CG2 4.01Å; W136-V160 HydrophobicContact CZ3-CG1 4.45Å; W136-V160 HydrophobicContact CZ3-CG2 4.44Å; W136-F163 HydrophobicContact CH2-CB 3.48Å; W136-F163 VanDerWaalsContact CH2-CB 3.48Å; W136-F163 AromaticContact CH2-CD1 3.82Å; W136-F163 HydrophobicContact CH2-CD1 3.82Å; W136-F163 HydrophobicContact CH2-CD2 4.36Å; W136-F163 AromaticContact CH2-CG 3.62Å; W136-F163 HydrophobicContact CH2-CG 3.62Å; W136-F163 HydrophobicContact CZ2-CB 3.63Å; W136-F163 HydrophobicContact CZ2-CG 4.22Å
137	C	85.4	Confident	89	Confident	33 Å²	33	40.6 Å²	40.6	22%	0.223	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.4	-8.8	159.9	-68	0	0	0	0	113.3	N135 G139 C151 S157	N135-C137 PolarHBondContact O-N 2.9Å; N135-C137 VanDerWaalsContact O-N 3.09Å; N135-C137 VanDerWaalsContact OD1-CB 3.3Å; N135-C137 WeakPolarHBondContact OD1-CB 3.39Å; N135-C137 PolarHBondContact OD1-N 2.85Å; C137-G139 PolarHBondContact O-N 3.35Å; C137-C151 WeakPolarHBondContact CA-SG 3.33Å; C137-C151 HydrophobicContact CB-CB 3.47Å; C137-C151 VanDerWaalsContact CB-CB 3.47Å; C137-C151 WeakPolarHBondContact CB-SG 3.47Å; C137-C151 WeakPolarHBondContact SG-CA 3.2Å; C137-C151 WeakPolarHBondContact SG-CB 3.36Å; C137-C151 CovalentContact SG-SG 2.04Å; C137-C151 PolarHBondContact SG-SG 3.1Å; C137-S157 WeakPolarHBondContact SG-CB 3.37Å
138	N	86.9	Confident	87.2	Confident	79 Å²	79	41.5 Å²	41.5	42%	0.422	23%	0.232	S	C	.	.			trans	-78.9	107.5	173.3	-178.2	-2.2	0	0	0	109.9	N135 S140 L141 T142	N135-N138 VanDerWaalsContact O-CB 3.23Å; N135-N138 WeakPolarHBondContact O-CB 3.17Å; N135-N138 PolarHBondContact O-N 2.99Å; N138-S140 PolarHBondContact O-N 3.45Å; N138-S140 WeakPolarHBondContact OD1-CB 3.45Å; N138-S140 PolarHBondContact OD1-N 3.08Å; N138-L141 HydrophobicContact CB-CB 4.06Å; N138-L141 WeakPolarHBondContact O-CA 3.33Å; N138-L141 WeakPolarHBondContact O-CB 3.28Å; N138-L141 PolarHBondContact O-N 3.01Å; N138-T142 PolarHBondContact O-N 3.3Å
139	G	84	Confident	85.2	Confident	28 Å²	28	45.3 Å²	45.3	29%	0.289	26%	0.255	S	S	.	.	H	α-helix	trans	-57.9	-29.6	179.5	0	0	0	0	0	114.2	C137 L141 T142 G143 N144	C137-G139 PolarHBondContact O-N 3.35Å; G139-L141 VanDerWaalsContact C-N 3.28Å; G139-L141 PolarHBondContact O-N 3.33Å; G139-T142 PolarHBondContact O-N 3.19Å; G139-T142 PolarHBondContact O-OG1 2.94Å; G139-G143 PolarHBondContact O-N 3.43Å; G139-G143 VanDerWaalsContact O-N 3.16Å; G139-N144 PolarHBondContact O-N 3.49Å
140	S	87.7	Confident	83.5	Confident	99 Å²	99	44 Å²	44	69%	0.692	25%	0.251	S	S	*	.	H	α-helix	trans	-67.5	-28.8	174.1	-54.9	0	0	0	0	112.7	N138	N138-S140 PolarHBondContact O-N 3.45Å; N138-S140 WeakPolarHBondContact OD1-CB 3.45Å; N138-S140 PolarHBondContact OD1-N 3.08Å
141	L	89.9	Confident	82.3	Confident	20 Å²	20	46.2 Å²	46.2	11%	0.105	27%	0.266	C	S	.	.	H	α-helix	trans	-79.5	-34.9	176.5	-174.6	66	0	0	0	111.4	L25 L26 I29 L134 N135 N138 G139 G143	L25-L141 CarbonylContact C-O 3.58Å; L25-L141 HydrophobicContact CB-CD1 4.18Å; L25-L141 HydrophobicContact CD2-CD1 4.1Å; L25-L141 HydrophobicContact CG-CD1 4.05Å; L25-L141 PolarHBondContact N-O 2.9Å; L25-L141 VanDerWaalsContact N-O 3.07Å; L26-L141 HydrophobicContact CB-CD2 4.45Å; L26-L141 HydrophobicContact CB-CG 4.03Å; L26-L141 HydrophobicContact CD1-CD2 4Å; L26-L141 HydrophobicContact CD1-CG 4.49Å; L26-L141 PolarHBondContact N-O 3.18Å; I29-L141 HydrophobicContact CD1-CD1 3.95Å; L134-L141 HydrophobicContact CB-CD2 4.3Å; L134-L141 HydrophobicContact CD2-CD2 4.41Å; N135-L141 WeakPolarHBondContact O-CD2 3.48Å; N138-L141 HydrophobicContact CB-CB 4.06Å; N138-L141 WeakPolarHBondContact O-CA 3.33Å; N138-L141 WeakPolarHBondContact O-CB 3.28Å; N138-L141 PolarHBondContact O-N 3.01Å; G139-L141 VanDerWaalsContact C-N 3.28Å; G139-L141 PolarHBondContact O-N 3.33Å; L141-G143 VanDerWaalsContact C-N 3.35Å
142	T	88.4	Confident	80.5	Confident	5 Å²	5	49.4 Å²	49.4	3%	0.031	30%	0.299	C	S	.	.	H	α-helix	trans	-89.2	-0.6	-175.8	68.7	0	0	0	0	113.6	L26 W136 N138 G139 N144 T145 Y147	L26-T142 HydrophobicContact CD2-CG2 4.21Å; W136-T142 HydrophobicContact CB-CG2 4.37Å; W136-T142 WeakPolarHBondContact O-CG2 3.49Å; N138-T142 PolarHBondContact O-N 3.3Å; G139-T142 PolarHBondContact O-N 3.19Å; G139-T142 PolarHBondContact O-OG1 2.94Å; T142-N144 VanDerWaalsContact C-N 3.26Å; T142-N144 PolarHBondContact O-N 3.42Å; T142-T145 WeakPolarHBondContact O-CB 3.49Å; T142-T145 PolarHBondContact O-N 3.41Å; T142-T145 PolarHBondContact O-OG1 3.07Å; T142-T145 PolarHBondContact OG1-O 3.37Å; T142-Y147 HydrophobicContact CG2-CD2 3.59Å; T142-Y147 HydrophobicContact CG2-CE2 3.79Å
143	G	85.8	Confident	78.9	Confident	11 Å²	11	51.5 Å²	51.5	11%	0.113	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.3	36.2	-174.2	0	0	0	0	0	112.6	Q22 G139 L141 T145	Q22-G143 WeakPolarHBondContact O-CA 3.39Å; G139-G143 PolarHBondContact O-N 3.43Å; G139-G143 VanDerWaalsContact O-N 3.16Å; L141-G143 VanDerWaalsContact C-N 3.35Å; G143-T145 PolarHBondContact O-N 3.09Å; G143-T145 VanDerWaalsContact O-N 3.12Å
144	N	77	Confident	77.1	Confident	108 Å²	108	49.4 Å²	49.4	58%	0.578	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.8	11.1	-169.3	-62.8	-33.5	0	0	0	115.6	Q22 G139 T142 K146	Q22-N144 PolarHBondContact OE1-ND2 3.47Å; G139-N144 PolarHBondContact O-N 3.49Å; T142-N144 VanDerWaalsContact C-N 3.26Å; T142-N144 PolarHBondContact O-N 3.42Å; N144-K146 PolarHBondContact O-N 3.16Å; N144-K146 VanDerWaalsContact O-N 3.07Å
145	T	78.5	Confident	75.2	Confident	49 Å²	49	60.9 Å²	60.9	30%	0.301	35%	0.349	S	S	.	.			trans	-58.3	118.9	166.1	-54	0	0	0	0	107.6	T142 G143 Y147	T142-T145 WeakPolarHBondContact O-CB 3.49Å; T142-T145 PolarHBondContact O-N 3.41Å; T142-T145 PolarHBondContact O-OG1 3.07Å; T142-T145 PolarHBondContact OG1-O 3.37Å; G143-T145 PolarHBondContact O-N 3.09Å; G143-T145 VanDerWaalsContact O-N 3.12Å; T145-Y147 HydrophobicContact CG2-CD1 4.1Å; T145-Y147 HydrophobicContact CG2-CD2 4.35Å; T145-Y147 HydrophobicContact CG2-CE1 3.53Å; T145-Y147 HydrophobicContact CG2-CE2 3.84Å; T145-Y147 HydrophobicContact CG2-CG 4.45Å; T145-Y147 PolarHBondContact O-N 2.66Å
146	K	71.7	Confident	73.4	Confident	179 Å²	179	65 Å²	65	78%	0.778	36%	0.364	S	S	*	.			trans	-79.8	104.8	178.8	-63.7	-174.2	-179.2	-178.7	0	106.7	H63 N144	H63-K146 PolarHBondContact CE1-O 2.75Å; H63-K146 PolarHBondContact NE2-O 3.07Å; N144-K146 PolarHBondContact O-N 3.16Å; N144-K146 VanDerWaalsContact O-N 3.07Å
147	Y	77.5	Confident	72.5	Confident	9 Å²	9	66.1 Å²	66.1	4%	0.035	37%	0.372	C	S	.	.			trans	-92.5	-8	175.7	-76	-51.8	0	0	0	114.8	N24 L26 W52 E56 L59 L60 T142 T145	N24-Y147 PolarHBondContact ND2-OH 3.14Å; L26-Y147 HydrophobicContact CD2-CD2 4.23Å; L26-Y147 HydrophobicContact CD2-CE2 3.85Å; W52-Y147 WeakPolarHBondContact CZ2-OH 3.48Å; E56-Y147 HydrophobicContact CG-CE1 3.89Å; E56-Y147 VanDerWaalsContact OE1-CE1 3.27Å; E56-Y147 WeakPolarHBondContact OE1-CE1 3.43Å; E56-Y147 PolarHBondContact OE1-OH 3.01Å; L59-Y147 CarbonylContact C-O 3.59Å; L59-Y147 HydrophobicContact CB-CD1 3.75Å; L59-Y147 HydrophobicContact CB-CG 4.15Å; L59-Y147 HydrophobicContact CD1-CD1 3.72Å; L59-Y147 HydrophobicContact CD1-CD2 4.07Å; L59-Y147 HydrophobicContact CD1-CE1 4.26Å; L59-Y147 HydrophobicContact CD1-CG 3.63Å; L59-Y147 HydrophobicContact CG-CD1 4.4Å; L59-Y147 VanDerWaalsContact O-O 3.09Å; L60-Y147 HydrophobicContact CD2-CD1 4.48Å; T142-Y147 HydrophobicContact CG2-CD2 3.59Å; T142-Y147 HydrophobicContact CG2-CE2 3.79Å; T145-Y147 HydrophobicContact CG2-CD1 4.1Å; T145-Y147 HydrophobicContact CG2-CD2 4.35Å; T145-Y147 HydrophobicContact CG2-CE1 3.53Å; T145-Y147 HydrophobicContact CG2-CE2 3.84Å; T145-Y147 HydrophobicContact CG2-CG 4.45Å; T145-Y147 PolarHBondContact O-N 2.66Å
148	G	60.3	Low	72.2	Confident	18 Å²	18	65.9 Å²	65.9	19%	0.186	37%	0.369	C	S	.	.			trans	161.9	148.7	175.4	0	0	0	0	0	112.8	H63 V150	H63-G148 PolarHBondContact CE1-N 3.14Å; G148-V150 PolarHBondContact O-N 3.31Å
149	T	55.3	Low	72.1	Confident	80 Å²	80	62.4 Å²	62.4	49%	0.491	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-65.9	-16.9	171	42.7	0	0	0	0	113	C151 G152	T149-C151 PolarHBondContact O-N 3.28Å; T149-C151 VanDerWaalsContact O-N 3.15Å; T149-G152 PolarHBondContact O-N 3.47Å
150	V	62.1	Low	72.4	Confident	8 Å²	8	61.7 Å²	61.7	5%	0.048	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-66.7	-13.4	-175.5	-146.7	0	0	0	0	114.2	A67 M70 G148 G152 N158	A67-V150 VanDerWaalsContact O-CA 3.3Å; A67-V150 WeakPolarHBondContact O-CA 3.49Å; A67-V150 VanDerWaalsContact O-CG1 3.28Å; A67-V150 WeakPolarHBondContact O-CG1 3.44Å; M70-V150 HydrophobicContact CG-CG1 3.81Å; M70-V150 HydrophobicContact SD-CG1 4.06Å; G148-V150 PolarHBondContact O-N 3.31Å; V150-G152 PolarHBondContact O-N 2.8Å; V150-N158 HydrophobicContact CG1-CB 4.12Å
151	C	73.7	Confident	72.4	Confident	46 Å²	46	60.8 Å²	60.8	31%	0.311	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-75.8	2.2	179	-70	0	0	0	0	114.3	C137 T149	C137-C151 WeakPolarHBondContact CA-SG 3.33Å; C137-C151 HydrophobicContact CB-CB 3.47Å; C137-C151 VanDerWaalsContact CB-CB 3.47Å; C137-C151 WeakPolarHBondContact CB-SG 3.47Å; C137-C151 WeakPolarHBondContact SG-CA 3.2Å; C137-C151 WeakPolarHBondContact SG-CB 3.36Å; C137-C151 CovalentContact SG-SG 2.04Å; C137-C151 PolarHBondContact SG-SG 3.1Å; T149-C151 PolarHBondContact O-N 3.28Å; T149-C151 VanDerWaalsContact O-N 3.15Å
152	G	59.6	Low	72.5	Confident	67 Å²	67	60.1 Å²	60.1	69%	0.691	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-137.1	6.4	-174.8	0	0	0	0	0	117.2	T149 V150	T149-G152 PolarHBondContact O-N 3.47Å; V150-G152 PolarHBondContact O-N 2.8Å
153	C	64	Low	72.7	Confident	44 Å²	44	59.9 Å²	59.9	30%	0.297	32%	0.322	S	S	.	.	S	Bend	trans	-75.7	-33.3	-179.3	-77.2	0	0	0	0	113.5	A67 C68	A67-C153 PolarHBondContact O-SG 3.05Å; C68-C153 WeakPolarHBondContact CA-SG 3.34Å; C68-C153 HydrophobicContact CB-CB 3.55Å; C68-C153 WeakPolarHBondContact CB-SG 3.39Å; C68-C153 PolarHBondContact N-SG 3.26Å; C68-C153 WeakPolarHBondContact SG-CB 3.49Å; C68-C153 CovalentContact SG-SG 2.05Å; C68-C153 PolarHBondContact SG-SG 3.33Å
154	D	56.5	Low	73.2	Confident	70 Å²	70	61.6 Å²	61.6	37%	0.374	33%	0.325	S	S	.	.	S	Bend	trans	-159.1	135.9	-177.6	26.9	-37.2	0	0	0	103.8	K156 N158	D154-K156 CarbonylContact O-C 3.58Å; D154-K156 PolarHBondContact O-N 3.17Å; D154-N158 PolarHBondContact OD1-ND2 2.94Å; D154-N158 VanDerWaalsContact OD1-ND2 3.11Å; D154-N158 PolarHBondContact OD2-ND2 3.21Å
155	Y	53.7	Low	74	Confident	253 Å²	253	59.3 Å²	59.3	99%	0.992	31%	0.311	S	S	*	.	S	Bend	trans	-49.9	-8.5	-171.6	-64.1	-87	0	0	0	116.3
156	K	54.7	Low	74.9	Confident	154 Å²	154	57.2 Å²	57.2	67%	0.67	30%	0.298	S	S	*	.	S	Bend	trans	-79.7	116.3	168.1	-59.2	-180	-175	174.4	0	107.8	D154 N158	D154-K156 CarbonylContact O-C 3.58Å; D154-K156 PolarHBondContact O-N 3.17Å; K156-N158 PolarHBondContact O-N 2.87Å; K156-N158 PolarHBondContact O-OD1 3.32Å
157	S	68.9	Low	76.2	Confident	28 Å²	28	48.7 Å²	48.7	20%	0.196	26%	0.26	C	S	.	.			trans	-60.4	80.5	168.1	42.5	0	0	0	0	109.8	C137 V159 V160 H161	C137-S157 WeakPolarHBondContact SG-CB 3.37Å; S157-V159 PolarHBondContact O-N 3.06Å; S157-V160 WeakPolarHBondContact O-CA 3.27Å; S157-V160 WeakPolarHBondContact O-CB 3.45Å; S157-V160 PolarHBondContact O-N 2.65Å; S157-H161 PolarHBondContact O-N 3.22Å
158	N	79.7	Confident	77.2	Confident	29 Å²	29	48.5 Å²	48.5	16%	0.155	26%	0.26	C	S	.	.	H	α-helix	trans	-56.2	-33	-168.8	-79.4	-25.2	0	0	0	111	M70 V150 D154 K156 H161 A162	M70-N158 HydrophobicContact CG-CB 4.25Å; M70-N158 HydrophobicContact SD-CB 3.82Å; V150-N158 HydrophobicContact CG1-CB 4.12Å; D154-N158 PolarHBondContact OD1-ND2 2.94Å; D154-N158 VanDerWaalsContact OD1-ND2 3.11Å; D154-N158 PolarHBondContact OD2-ND2 3.21Å; K156-N158 PolarHBondContact O-N 2.87Å; K156-N158 PolarHBondContact O-OD1 3.32Å; N158-H161 PolarHBondContact O-N 2.8Å; N158-A162 WeakPolarHBondContact O-CB 3.35Å; N158-A162 PolarHBondContact O-N 3.35Å
159	V	86	Confident	79	Confident	5 Å²	5	48.1 Å²	48.1	3%	0.03	26%	0.256	C	S	.	.	H	α-helix	trans	-69.3	-39.4	176.4	64.3	0	0	0	0	113.5	L59 M70 F75 W136 S157 H161 A162 F163	L59-V159 HydrophobicContact CD2-CG2 3.74Å; M70-V159 HydrophobicContact CE-CB 3.92Å; M70-V159 HydrophobicContact CE-CG2 3.91Å; M70-V159 WeakPolarHBondContact SD-CA 3.43Å; M70-V159 HydrophobicContact SD-CB 3.9Å; M70-V159 PolarHBondContact SD-N 2.94Å; F75-V159 HydrophobicContact CE2-CG2 3.99Å; F75-V159 WeakPolarHBondContact CE2-O 3.49Å; F75-V159 HydrophobicContact CZ-CG2 3.92Å; W136-V159 WeakPolarHBondContact CZ2-O 3.2Å; W136-V159 VanDerWaalsContact NE1-CG1 3.32Å; S157-V159 PolarHBondContact O-N 3.06Å; V159-H161 VanDerWaalsContact C-N 3.34Å; V159-A162 PolarHBondContact O-N 2.99Å; V159-F163 PolarHBondContact O-N 3.34Å
160	V	89.4	Confident	81.1	Confident	13 Å²	13	44.8 Å²	44.8	8%	0.079	24%	0.235	C	C	.	.	H	α-helix	trans	-65	-44.7	172.5	178.8	0	0	0	0	109.5	W136 S157 A162 F163 W164	W136-V160 HydrophobicContact CD2-CG2 3.71Å; W136-V160 HydrophobicContact CE3-CG2 4.14Å; W136-V160 HydrophobicContact CG-CG2 4.1Å; W136-V160 HydrophobicContact CH2-CB 4.42Å; W136-V160 HydrophobicContact CH2-CG1 4.31Å; W136-V160 HydrophobicContact CH2-CG2 4.39Å; W136-V160 VanDerWaalsContact CZ2-CA 3.41Å; W136-V160 HydrophobicContact CZ2-CB 4.17Å; W136-V160 HydrophobicContact CZ2-CG2 4.01Å; W136-V160 HydrophobicContact CZ3-CG1 4.45Å; W136-V160 HydrophobicContact CZ3-CG2 4.44Å; S157-V160 WeakPolarHBondContact O-CA 3.27Å; S157-V160 WeakPolarHBondContact O-CB 3.45Å; S157-V160 PolarHBondContact O-N 2.65Å; V160-A162 VanDerWaalsContact C-N 3.34Å; V160-A162 PolarHBondContact O-N 3.41Å; V160-F163 PolarHBondContact O-N 3.15Å; V160-W164 PolarHBondContact O-N 2.63Å
161	H	88.5	Confident	82.8	Confident	80 Å²	80	44.4 Å²	44.4	37%	0.37	23%	0.232	S	C	.	.	H	α-helix	trans	-60.2	-44	176.5	-171.4	52.8	0	0	0	111.9	S157 N158 V159 F163 W164 Q165	S157-H161 PolarHBondContact O-N 3.22Å; N158-H161 PolarHBondContact O-N 2.8Å; V159-H161 VanDerWaalsContact C-N 3.34Å; H161-F163 VanDerWaalsContact C-N 3.35Å; H161-F163 PolarHBondContact O-N 3.47Å; H161-W164 PolarHBondContact O-N 3.39Å; H161-W164 VanDerWaalsContact O-N 3.16Å; H161-Q165 PolarHBondContact CD2-NE2 3.13Å; H161-Q165 VanDerWaalsContact CD2-NE2 3.31Å; H161-Q165 PolarHBondContact NE2-NE2 3.26Å; H161-Q165 VanDerWaalsContact O-CG 3.32Å; H161-Q165 WeakPolarHBondContact O-CG 3.39Å; H161-Q165 PolarHBondContact O-N 3.03Å
162	A	90.2	Very high	84	Confident	7 Å²	7	42.2 Å²	42.2	6%	0.058	22%	0.218	C	C	.	.	H	α-helix	trans	-59.7	-41.8	179.6	0	0	0	0	0	112.6	M70 F75 N158 V159 V160 Q165 S166	M70-A162 HydrophobicContact CE-CB 3.6Å; M70-A162 HydrophobicContact SD-CB 3.86Å; F75-A162 HydrophobicContact CD2-CB 4.25Å; F75-A162 HydrophobicContact CE2-CB 4.26Å; N158-A162 WeakPolarHBondContact O-CB 3.35Å; N158-A162 PolarHBondContact O-N 3.35Å; V159-A162 PolarHBondContact O-N 2.99Å; V160-A162 VanDerWaalsContact C-N 3.34Å; V160-A162 PolarHBondContact O-N 3.41Å; A162-Q165 PolarHBondContact O-N 3.21Å; A162-S166 PolarHBondContact O-N 3.39Å; A162-S166 PolarHBondContact O-OG 3.32Å
163	F	93.7	Very high	85.8	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-58.8	-50.7	173.3	170.2	-92	0	0	0	111.4	F55 F75 F78 V79 P127 F131 W136 V159 V160 H161 Q165 S166 A167	F55-F163 HydrophobicContact CE2-CD2 4.3Å; F75-F163 HydrophobicContact CB-CD2 4.28Å; F75-F163 HydrophobicContact CD1-CD2 4.04Å; F75-F163 VanDerWaalsContact CD2-CA 3.4Å; F75-F163 HydrophobicContact CD2-CB 3.73Å; F75-F163 HydrophobicContact CE2-CB 3.87Å; F75-F163 HydrophobicContact CG-CB 4.07Å; F75-F163 HydrophobicContact CG-CD2 4.07Å; F75-F163 HydrophobicContact CZ-CB 4.33Å; F78-F163 HydrophobicContact CD1-CE2 4.43Å; F78-F163 HydrophobicContact CE1-CE2 4.18Å; V79-F163 HydrophobicContact CG2-CD2 4.1Å; V79-F163 HydrophobicContact CG2-CE2 3.79Å; P127-F163 HydrophobicContact CB-CZ 4.44Å; F131-F163 HydrophobicContact CB-CD1 4.41Å; F131-F163 HydrophobicContact CB-CE1 3.6Å; F131-F163 HydrophobicContact CB-CZ 3.72Å; F131-F163 HydrophobicContact CD2-CE1 4.12Å; F131-F163 AromaticContact CD2-CE2 3.66Å; F131-F163 HydrophobicContact CD2-CE2 3.66Å; F131-F163 AromaticContact CD2-CZ 3.3Å; F131-F163 HydrophobicContact CD2-CZ 3.3Å; F131-F163 AromaticContact CE2-CE2 3.99Å; F131-F163 HydrophobicContact CE2-CE2 3.99Å; F131-F163 HydrophobicContact CE2-CZ 4.09Å; F131-F163 HydrophobicContact CG-CE1 4.01Å; F131-F163 HydrophobicContact CG-CE2 4.11Å; F131-F163 AromaticContact CG-CZ 3.64Å; F131-F163 HydrophobicContact CG-CZ 3.64Å; W136-F163 HydrophobicContact CH2-CB 3.48Å; W136-F163 VanDerWaalsContact CH2-CB 3.48Å; W136-F163 AromaticContact CH2-CD1 3.82Å; W136-F163 HydrophobicContact CH2-CD1 3.82Å; W136-F163 HydrophobicContact CH2-CD2 4.36Å; W136-F163 AromaticContact CH2-CG 3.62Å; W136-F163 HydrophobicContact CH2-CG 3.62Å; W136-F163 HydrophobicContact CZ2-CB 3.63Å; W136-F163 HydrophobicContact CZ2-CG 4.22Å; V159-F163 PolarHBondContact O-N 3.34Å; V160-F163 PolarHBondContact O-N 3.15Å; H161-F163 VanDerWaalsContact C-N 3.35Å; H161-F163 PolarHBondContact O-N 3.47Å; F163-Q165 VanDerWaalsContact C-N 3.27Å; F163-Q165 PolarHBondContact O-N 3.37Å; F163-S166 PolarHBondContact O-N 2.9Å; F163-A167 HydrophobicContact CE1-CB 4.44Å; F163-A167 PolarHBondContact O-N 2.87Å
164	W	95.4	Very high	87.3	Confident	47 Å²	47	44.5 Å²	44.5	18%	0.178	20%	0.199	C	C	.	.	H	α-helix	trans	-65.8	-30.3	-179.3	-72.9	110.5	0	0	0	112.5	L122 F131 D132 V160 H161 S168	L122-W164 HydrophobicContact CD2-CE3 3.87Å; L122-W164 HydrophobicContact CD2-CZ3 4.03Å; L122-W164 HydrophobicContact CG-CE3 4.46Å; L122-W164 HydrophobicContact CG-CZ3 4.13Å; F131-W164 HydrophobicContact CB-CZ2 4.49Å; D132-W164 HydrophobicContact CB-CH2 4.39Å; V160-W164 PolarHBondContact O-N 2.63Å; H161-W164 PolarHBondContact O-N 3.39Å; H161-W164 VanDerWaalsContact O-N 3.16Å; W164-S168 WeakPolarHBondContact O-CB 3.38Å; W164-S168 PolarHBondContact O-N 3.19Å; W164-S168 PolarHBondContact O-OG 3.2Å
165	Q	95.4	Very high	89.2	Confident	60 Å²	60	41.1 Å²	41.1	28%	0.28	18%	0.181	S	C	.	.	H	α-helix	trans	-63.9	-48.1	171.5	-70.3	-173.2	-26	0	0	111.7	H161 A162 F163 A167 S168 A169 I200	H161-Q165 PolarHBondContact CD2-NE2 3.13Å; H161-Q165 VanDerWaalsContact CD2-NE2 3.31Å; H161-Q165 PolarHBondContact NE2-NE2 3.26Å; H161-Q165 VanDerWaalsContact O-CG 3.32Å; H161-Q165 WeakPolarHBondContact O-CG 3.39Å; H161-Q165 PolarHBondContact O-N 3.03Å; A162-Q165 PolarHBondContact O-N 3.21Å; F163-Q165 VanDerWaalsContact C-N 3.27Å; F163-Q165 PolarHBondContact O-N 3.37Å; Q165-A167 VanDerWaalsContact C-N 3.33Å; Q165-A167 PolarHBondContact O-N 3.34Å; Q165-S168 PolarHBondContact O-N 2.77Å; Q165-A169 WeakPolarHBondContact O-CB 3.46Å; Q165-A169 PolarHBondContact O-N 3.36Å; Q165-I200 HydrophobicContact CB-CD1 3.91Å; Q165-I200 HydrophobicContact CG-CD1 3.51Å
166	S	97.6	Very high	91.2	Very high	4 Å²	4	31 Å²	31	3%	0.028	15%	0.147	C	C	.	.	H	α-helix	trans	-59.4	-44.3	175.6	-69	0	0	0	0	111.5	D76 A162 F163 A169 E170	D76-S166 PolarHBondContact N-OG 3.43Å; D76-S166 WeakPolarHBondContact OD1-CB 3.36Å; D76-S166 PolarHBondContact OD1-OG 2.71Å; A162-S166 PolarHBondContact O-N 3.39Å; A162-S166 PolarHBondContact O-OG 3.32Å; F163-S166 PolarHBondContact O-N 2.9Å; S166-A169 PolarHBondContact O-N 3.18Å; S166-E170 WeakPolarHBondContact O-CB 3.31Å; S166-E170 PolarHBondContact O-N 3.18Å
167	A	98.5	Very high	93.1	Very high	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.6	-42.8	178.6	0	0	0	0	0	113.6	V79 L122 F163 Q165 A169 E170 Y171	V79-A167 HydrophobicContact CG1-CB 4.04Å; L122-A167 HydrophobicContact CD1-CB 4.1Å; L122-A167 HydrophobicContact CD2-CB 4.23Å; F163-A167 HydrophobicContact CE1-CB 4.44Å; F163-A167 PolarHBondContact O-N 2.87Å; Q165-A167 VanDerWaalsContact C-N 3.33Å; Q165-A167 PolarHBondContact O-N 3.34Å; A167-A169 VanDerWaalsContact C-N 3.34Å; A167-A169 PolarHBondContact O-N 2.91Å; A167-E170 PolarHBondContact O-N 3.38Å; A167-Y171 VanDerWaalsContact O-CB 3.25Å; A167-Y171 WeakPolarHBondContact O-CB 3.48Å; A167-Y171 PolarHBondContact O-N 2.92Å
168	S	98.3	Very high	94.4	Very high	5 Å²	5	25.8 Å²	25.8	4%	0.035	13%	0.126	C	C	.	.	H	α-helix	trans	-61.7	-44	174.9	-58.6	0	0	0	0	111.2	W164 Q165 A172 T196 E201	W164-S168 WeakPolarHBondContact O-CB 3.38Å; W164-S168 PolarHBondContact O-N 3.19Å; W164-S168 PolarHBondContact O-OG 3.2Å; Q165-S168 PolarHBondContact O-N 2.77Å; S168-A172 WeakPolarHBondContact O-CB 3.26Å; S168-A172 PolarHBondContact O-N 3.05Å; S168-T196 VanDerWaalsContact OG-CG2 3.3Å; S168-T196 WeakPolarHBondContact OG-CG2 3.08Å; S168-E201 VanDerWaalsContact CB-OE1 3.24Å; S168-E201 WeakPolarHBondContact CB-OE1 3.23Å; S168-E201 PolarHBondContact OG-OE1 2.9Å
169	A	98.6	Very high	95.3	Very high	11 Å²	11	24.4 Å²	24.4	9%	0.091	12%	0.119	C	C	.	.	H	α-helix	trans	-62.2	-47.8	178.4	0	0	0	0	0	111.8	Q165 S166 A167 A172 R173 I200 L204	Q165-A169 WeakPolarHBondContact O-CB 3.46Å; Q165-A169 PolarHBondContact O-N 3.36Å; S166-A169 PolarHBondContact O-N 3.18Å; A167-A169 VanDerWaalsContact C-N 3.34Å; A167-A169 PolarHBondContact O-N 2.91Å; A169-A172 PolarHBondContact O-N 3.03Å; A169-R173 WeakPolarHBondContact O-CG 3.32Å; A169-R173 PolarHBondContact O-N 3.12Å; A169-I200 HydrophobicContact CB-CG2 3.78Å; A169-L204 HydrophobicContact CB-CD1 3.69Å; A169-L204 WeakPolarHBondContact O-CD1 3.49Å
170	E	98.4	Very high	95.9	Very high	9 Å²	9	25.1 Å²	25.1	4%	0.042	12%	0.121	C	C	.	.	H	α-helix	trans	-67.3	-40.5	-179	-172.3	57.9	-162.8	0	0	112.2	V79 Y80 F83 S166 A167 A172 R173 R174	V79-E170 HydrophobicContact CG1-CB 4.1Å; V79-E170 HydrophobicContact CG1-CG 4.44Å; Y80-E170 WeakPolarHBondContact CD2-OE1 3.13Å; F83-E170 HydrophobicContact CB-CG 4.34Å; F83-E170 HydrophobicContact CD2-CB 3.92Å; F83-E170 HydrophobicContact CD2-CG 3.33Å; F83-E170 HydrophobicContact CE2-CB 3.87Å; F83-E170 HydrophobicContact CE2-CG 3.8Å; F83-E170 HydrophobicContact CG-CG 3.99Å; S166-E170 WeakPolarHBondContact O-CB 3.31Å; S166-E170 PolarHBondContact O-N 3.18Å; A167-E170 PolarHBondContact O-N 3.38Å; E170-A172 VanDerWaalsContact C-N 3.32Å; E170-A172 PolarHBondContact O-N 3.16Å; E170-R173 PolarHBondContact O-N 3.46Å; E170-R173 IonicContact OE2-CZ 3.82Å; E170-R173 IonicContact OE2-NH1 2.74Å; E170-R173 PolarHBondContact OE2-NH1 2.89Å; E170-R174 WeakPolarHBondContact O-CG 3.45Å; E170-R174 PolarHBondContact O-N 3.07Å; E170-R174 IonicContact OE1-CZ 3.13Å; E170-R174 IonicContact OE1-NE 3.02Å; E170-R174 PolarHBondContact OE1-NE 3.2Å; E170-R174 IonicContact OE1-NH2 2.7Å; E170-R174 PolarHBondContact OE1-NH2 2.96Å
171	Y	98.1	Very high	96.3	Very high	1 Å²	1	24.5 Å²	24.5	0%	0.004	12%	0.118	C	C	.	.	H	α-helix	trans	-60.3	-41.2	173.9	-175	-112.5	0	0	0	112.3	F83 Q99 Y100 F101 R120 L122 T125 A167 R174 A175	F83-Y171 HydrophobicContact CE1-CD2 4.18Å; F83-Y171 HydrophobicContact CZ-CD2 4.2Å; Q99-Y171 WeakPolarHBondContact CB-OH 3.42Å; Y100-Y171 PolarHBondContact N-OH 2.98Å; F101-Y171 AromaticContact CD1-CD1 3.99Å; F101-Y171 HydrophobicContact CD1-CD1 3.99Å; F101-Y171 HydrophobicContact CD1-CE1 4.01Å; F101-Y171 HydrophobicContact CD2-CE1 4.48Å; F101-Y171 AromaticContact CE1-CD1 3.39Å; F101-Y171 HydrophobicContact CE1-CD1 3.39Å; F101-Y171 AromaticContact CE1-CE1 3.68Å; F101-Y171 HydrophobicContact CE1-CE1 3.68Å; F101-Y171 HydrophobicContact CE2-CE1 4.14Å; F101-Y171 HydrophobicContact CG-CE1 4.4Å; F101-Y171 AromaticContact CZ-CD1 3.71Å; F101-Y171 HydrophobicContact CZ-CD1 3.71Å; F101-Y171 AromaticContact CZ-CE1 3.72Å; F101-Y171 HydrophobicContact CZ-CE1 3.72Å; R120-Y171 PolarHBondContact O-OH 3.44Å; L122-Y171 HydrophobicContact CB-CD1 4.21Å; L122-Y171 HydrophobicContact CB-CE1 4.48Å; L122-Y171 HydrophobicContact CB-CG 4.39Å; L122-Y171 HydrophobicContact CD1-CD2 4.31Å; L122-Y171 HydrophobicContact CD1-CG 3.97Å; T125-Y171 HydrophobicContact CG2-CD2 3.65Å; T125-Y171 HydrophobicContact CG2-CE2 3.64Å; A167-Y171 VanDerWaalsContact O-CB 3.25Å; A167-Y171 WeakPolarHBondContact O-CB 3.48Å; A167-Y171 PolarHBondContact O-N 2.92Å; Y171-R174 PolarHBondContact O-N 3.18Å; Y171-A175 PolarHBondContact O-N 3.38Å; Y171-A175 VanDerWaalsContact O-N 3.15Å
172	A	98.3	Very high	96.8	Very high	0 Å²	0	20.7 Å²	20.7	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-66	-39.6	174.7	0	0	0	0	0	113	F101 S168 A169 E170 R174 A175 E201 L204 L205	F101-A172 HydrophobicContact CE1-CB 4.07Å; F101-A172 HydrophobicContact CZ-CB 4.34Å; S168-A172 WeakPolarHBondContact O-CB 3.26Å; S168-A172 PolarHBondContact O-N 3.05Å; A169-A172 PolarHBondContact O-N 3.03Å; E170-A172 VanDerWaalsContact C-N 3.32Å; E170-A172 PolarHBondContact O-N 3.16Å; A172-R174 VanDerWaalsContact C-N 3.26Å; A172-R174 PolarHBondContact O-N 3.44Å; A172-A175 VanDerWaalsContact O-CB 3.25Å; A172-A175 WeakPolarHBondContact O-CB 3.46Å; A172-A175 PolarHBondContact O-N 3.44Å; A172-E201 HydrophobicContact CB-CB 3.9Å; A172-E201 HydrophobicContact CB-CG 4.34Å; A172-E201 WeakPolarHBondContact CB-O 3.37Å; A172-L204 HydrophobicContact CB-CB 3.86Å; A172-L204 HydrophobicContact CB-CD1 4.33Å; A172-L205 HydrophobicContact CB-CD2 4.19Å
173	R	97.6	Very high	97.2	Very high	99 Å²	99	20.3 Å²	20.3	37%	0.374	10%	0.097	S	C	.	.	H	α-helix	trans	-61.2	-37.7	175	-71.2	176.4	-158.6	141	-1.3	111.8	A169 E170 A175 L204 R209	A169-R173 WeakPolarHBondContact O-CG 3.32Å; A169-R173 PolarHBondContact O-N 3.12Å; E170-R173 PolarHBondContact O-N 3.46Å; E170-R173 IonicContact OE2-CZ 3.82Å; E170-R173 IonicContact OE2-NH1 2.74Å; E170-R173 PolarHBondContact OE2-NH1 2.89Å; R173-A175 VanDerWaalsContact C-N 3.3Å; R173-L204 HydrophobicContact CG-CB 4.41Å; R173-L204 HydrophobicContact CG-CD1 4.25Å; R173-L204 HydrophobicContact CG-CD2 4.34Å; R173-R209 PolarHBondContact O-NH1 3.11Å
174	R	95.6	Very high	97.3	Very high	59 Å²	59	22.1 Å²	22.1	22%	0.223	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.7	179.8	-67.2	-179.8	-176.7	-85.7	-6.1	114	Y80 E84 E170 Y171 A172 S176	Y80-R174 VanDerWaalsContact CE2-NH2 3.34Å; E84-R174 IonicContact OE1-CZ 2.8Å; E84-R174 VanDerWaalsContact OE1-CZ 3.24Å; E84-R174 IonicContact OE1-NH1 3.4Å; E84-R174 PolarHBondContact OE1-NH1 3.44Å; E84-R174 IonicContact OE1-NH2 2.71Å; E84-R174 PolarHBondContact OE1-NH2 2.89Å; E170-R174 WeakPolarHBondContact O-CG 3.45Å; E170-R174 PolarHBondContact O-N 3.07Å; E170-R174 IonicContact OE1-CZ 3.13Å; E170-R174 IonicContact OE1-NE 3.02Å; E170-R174 PolarHBondContact OE1-NE 3.2Å; E170-R174 IonicContact OE1-NH2 2.7Å; E170-R174 PolarHBondContact OE1-NH2 2.96Å; Y171-R174 PolarHBondContact O-N 3.18Å; A172-R174 VanDerWaalsContact C-N 3.26Å; A172-R174 PolarHBondContact O-N 3.44Å; R174-S176 PolarHBondContact O-N 3.06Å
175	A	96.1	Very high	97.3	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.098	C	C	.	.			trans	-62.7	132	-179.2	0	0	0	0	0	112.6	Q99 F101 Y171 A172 R173 I179 L205 R209 V210	Q99-A175 VanDerWaalsContact OE1-CA 3.26Å; F101-A175 HydrophobicContact CE2-CB 4.14Å; F101-A175 HydrophobicContact CZ-CB 3.93Å; Y171-A175 PolarHBondContact O-N 3.38Å; Y171-A175 VanDerWaalsContact O-N 3.15Å; A172-A175 VanDerWaalsContact O-CB 3.25Å; A172-A175 WeakPolarHBondContact O-CB 3.46Å; A172-A175 PolarHBondContact O-N 3.44Å; R173-A175 VanDerWaalsContact C-N 3.3Å; A175-I179 HydrophobicContact CB-CG2 4.42Å; A175-L205 HydrophobicContact CB-CD2 3.63Å; A175-R209 WeakPolarHBondContact O-CD 2.99Å; A175-R209 VanDerWaalsContact O-CG 3.29Å; A175-R209 WeakPolarHBondContact O-CG 3.36Å; A175-V210 HydrophobicContact CB-CG2 4.12Å
176	S	95.3	Very high	97.3	Very high	40 Å²	40	17.8 Å²	17.8	28%	0.28	9%	0.09	S	C	.	.			trans	-148.1	157.8	179.3	66.6	0	0	0	0	113.5	R174 R209	R174-S176 PolarHBondContact O-N 3.06Å; S176-R209 CarbonylContact C-O 3.59Å; S176-R209 WeakPolarHBondContact CA-O 3.44Å
177	G	95.7	Very high	97.1	Very high	7 Å²	7	19.4 Å²	19.4	7%	0.072	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	71.5	-144.6	179.7	0	0	0	0	0	112.9	R209 Q211	G177-R209 PolarHBondContact N-O 3.44Å; G177-Q211 PolarHBondContact O-N 2.87Å
178	N	96.7	Very high	96.8	Very high	66 Å²	66	27.2 Å²	27.2	35%	0.353	13%	0.134	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	122.3	173.4	-64.1	-27.8	0	0	0	109.4	Q212	N178-Q212 WeakPolarHBondContact OD1-CB 3.31Å
179	I	97.8	Very high	96.7	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	159.7	179.4	68.4	172.6	0	0	0	110.6	Q99 F101 A175 L205 V210 Q212 L213 T214	Q99-I179 HydrophobicContact CB-CG2 4.13Å; F101-I179 HydrophobicContact CD2-CD1 4.17Å; F101-I179 HydrophobicContact CE2-CB 4.41Å; F101-I179 HydrophobicContact CE2-CD1 3.81Å; A175-I179 HydrophobicContact CB-CG2 4.42Å; I179-L205 HydrophobicContact CD1-CD1 3.69Å; I179-L205 HydrophobicContact CD1-CD2 3.9Å; I179-L205 HydrophobicContact CD1-CG 4.36Å; I179-V210 HydrophobicContact CD1-CG1 3.71Å; I179-V210 HydrophobicContact CD1-CG2 4.17Å; I179-V210 HydrophobicContact CG1-CG1 3.84Å; I179-Q212 PolarHBondContact N-O 3.49Å; I179-L213 HydrophobicContact CD1-CB 4.45Å; I179-L213 HydrophobicContact CD1-CD1 4.01Å; I179-L213 HydrophobicContact CD1-CG 4.28Å; I179-L213 HydrophobicContact CG1-CB 4.11Å; I179-L213 HydrophobicContact CG1-CD1 4.39Å; I179-L213 HydrophobicContact CG1-CG 4.11Å; I179-L213 WeakPolarHBondContact O-CA 3.4Å; I179-T214 PolarHBondContact O-N 2.78Å
180	F	98.4	Very high	96.6	Very high	19 Å²	19	27.5 Å²	27.5	8%	0.083	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	147.4	-179.6	-61.4	-88.5	0	0	0	110.6	E98 Q99 Y100 F101 T214 K216	E98-F180 HydrophobicContact CB-CD2 3.82Å; E98-F180 HydrophobicContact CB-CE2 3.53Å; E98-F180 HydrophobicContact CG-CE2 3.84Å; E98-F180 WeakPolarHBondContact OE2-CE2 3.32Å; E98-F180 WeakPolarHBondContact OE2-CZ 3.3Å; Q99-F180 PolarHBondContact O-N 3.5Å; Y100-F180 WeakPolarHBondContact CA-O 3.25Å; Y100-F180 HydrophobicContact CD1-CB 3.74Å; Y100-F180 HydrophobicContact CD1-CG 4.46Å; Y100-F180 HydrophobicContact CD2-CB 4.27Å; Y100-F180 HydrophobicContact CD2-CD2 4.23Å; Y100-F180 HydrophobicContact CE1-CB 3.69Å; Y100-F180 HydrophobicContact CE1-CD2 4.36Å; Y100-F180 AromaticContact CE1-CG 3.97Å; Y100-F180 HydrophobicContact CE1-CG 3.97Å; Y100-F180 HydrophobicContact CE2-CB 4.22Å; Y100-F180 AromaticContact CE2-CD2 3.64Å; Y100-F180 HydrophobicContact CE2-CD2 3.64Å; Y100-F180 HydrophobicContact CE2-CE2 4.4Å; Y100-F180 HydrophobicContact CE2-CG 4.09Å; Y100-F180 HydrophobicContact CG-CB 4.03Å; Y100-F180 AromaticContact CZ-CD2 3.71Å; Y100-F180 AromaticContact CZ-CG 3.74Å; F101-F180 PolarHBondContact N-O 2.94Å; F180-T214 CarbonylContact C-O 3.57Å; F180-T214 VanDerWaalsContact CA-O 3.23Å; F180-T214 WeakPolarHBondContact CA-O 3.32Å; F180-T214 HydrophobicContact CD1-CG2 3.95Å; F180-T214 HydrophobicContact CE1-CG2 3.92Å; F180-K216 HydrophobicContact CD1-CD 4.07Å; F180-K216 HydrophobicContact CD1-CG 4.12Å; F180-K216 VanDerWaalsContact CE1-CE 3.44Å
181	V	98.6	Very high	96.6	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	122.5	164.6	64.6	0	0	0	0	109.2	F101 L183 F197 L213 T214 V215 K216	F101-V181 HydrophobicContact CB-CB 4.16Å; F101-V181 HydrophobicContact CB-CG2 3.99Å; F101-V181 CarbonylContact O-C 3.58Å; F101-V181 WeakPolarHBondContact O-CA 3.29Å; V181-L183 HydrophobicContact CG1-CD1 4.44Å; V181-L183 HydrophobicContact CG1-CG 4.37Å; V181-L183 HydrophobicContact CG2-CD2 3.63Å; V181-L183 HydrophobicContact CG2-CG 3.99Å; V181-F197 HydrophobicContact CB-CE2 3.99Å; V181-F197 HydrophobicContact CB-CZ 3.92Å; V181-F197 HydrophobicContact CG1-CE1 4.44Å; V181-F197 HydrophobicContact CG1-CZ 4.05Å; V181-F197 HydrophobicContact CG2-CD1 4.15Å; V181-F197 HydrophobicContact CG2-CD2 3.89Å; V181-F197 HydrophobicContact CG2-CE1 3.95Å; V181-F197 HydrophobicContact CG2-CE2 3.69Å; V181-F197 HydrophobicContact CG2-CG 4.13Å; V181-F197 HydrophobicContact CG2-CZ 3.73Å; V181-L213 HydrophobicContact CG1-CD2 3.63Å; V181-L213 HydrophobicContact CG1-CG 4.46Å; V181-T214 PolarHBondContact N-O 2.83Å; V181-V215 HydrophobicContact CG1-CB 4.13Å; V181-V215 HydrophobicContact CG1-CG1 4.5Å; V181-V215 HydrophobicContact CG1-CG2 3.5Å; V181-V215 CarbonylContact O-C 3.45Å; V181-V215 WeakPolarHBondContact O-CA 3.37Å; V181-K216 PolarHBondContact O-N 3.44Å
182	V	98.4	Very high	96.6	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	119.1	176.5	-166.6	0	0	0	0	108.7	Y100 F101 H102 S103 V105 I109 K216 V218 F258	Y100-V182 HydrophobicContact CD1-CG2 3.72Å; Y100-V182 HydrophobicContact CE1-CG2 4.28Å; F101-V182 PolarHBondContact O-N 2.9Å; H102-V182 CarbonylContact C-O 3.58Å; H102-V182 VanDerWaalsContact CA-O 3.22Å; H102-V182 WeakPolarHBondContact CA-O 3.24Å; H102-V182 HydrophobicContact CB-CB 4.32Å; S103-V182 PolarHBondContact N-O 3.35Å; V105-V182 HydrophobicContact CG2-CB 3.97Å; V105-V182 HydrophobicContact CG2-CG1 3.85Å; V105-V182 WeakPolarHBondContact CG2-O 3.15Å; I109-V182 HydrophobicContact CD1-CB 3.92Å; I109-V182 HydrophobicContact CD1-CG1 4.45Å; I109-V182 HydrophobicContact CD1-CG2 3.65Å; V182-K216 WeakPolarHBondContact CA-O 3.29Å; V182-K216 HydrophobicContact CG2-CB 4.34Å; V182-V218 HydrophobicContact CG1-CB 4.41Å; V182-V218 HydrophobicContact CG1-CG2 3.58Å; V182-F258 HydrophobicContact CG1-CD1 4.29Å; V182-F258 HydrophobicContact CG1-CE1 3.8Å; V182-F258 HydrophobicContact CG1-CZ 4.05Å; V182-F258 HydrophobicContact CG2-CE1 4.03Å; V182-F258 HydrophobicContact CG2-CE2 4.41Å; V182-F258 HydrophobicContact CG2-CZ 3.6Å
183	L	98.3	Very high	96.5	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	146.9	-176.7	-61.2	179.8	0	0	0	110.3	V181 G185 P190 F191 V215 K216 L217 V218 L235 L238	V181-L183 HydrophobicContact CG1-CD1 4.44Å; V181-L183 HydrophobicContact CG1-CG 4.37Å; V181-L183 HydrophobicContact CG2-CD2 3.63Å; V181-L183 HydrophobicContact CG2-CG 3.99Å; L183-G185 PolarHBondContact O-N 3.4Å; L183-P190 HydrophobicContact CB-CB 4Å; L183-P190 HydrophobicContact CD1-CB 4.38Å; L183-F191 HydrophobicContact CD1-CB 4.33Å; L183-V215 HydrophobicContact CB-CG1 4.49Å; L183-V215 HydrophobicContact CD1-CG1 3.91Å; L183-V215 HydrophobicContact CD1-CG2 4.37Å; L183-V215 HydrophobicContact CG-CG1 4.26Å; L183-K216 PolarHBondContact N-O 2.86Å; L183-L217 HydrophobicContact CB-CD1 3.82Å; L183-V218 PolarHBondContact O-N 3.48Å; L183-L235 HydrophobicContact CD1-CD1 3.78Å; L183-L238 HydrophobicContact CD1-CD2 4.26Å
184	N	96.3	Very high	96.4	Very high	37 Å²	37	34.9 Å²	34.9	20%	0.198	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	110.4	174.5	-170	-25.1	0	0	0	109.9	S103 Q104 V105 S186 V187 P190	S103-N184 PolarHBondContact O-N 3.42Å; Q104-N184 HydrophobicContact CB-CB 4.04Å; Q104-N184 PolarHBondContact O-ND2 3Å; V105-N184 HydrophobicContact CG1-CB 3.67Å; N184-S186 VanDerWaalsContact C-N 3.29Å; N184-S186 WeakPolarHBondContact OD1-CA 3.47Å; N184-S186 WeakPolarHBondContact OD1-CB 3.5Å; N184-S186 PolarHBondContact OD1-N 3.29Å; N184-V187 HydrophobicContact CB-CG1 4.41Å; N184-V187 HydrophobicContact CB-CG2 4.18Å; N184-V187 VanDerWaalsContact O-CG2 3.29Å; N184-V187 WeakPolarHBondContact O-CG2 3.35Å; N184-P190 VanDerWaalsContact O-CB 3.3Å; N184-P190 WeakPolarHBondContact O-CB 3.47Å; N184-P190 VanDerWaalsContact O-CG 3.32Å; N184-P190 WeakPolarHBondContact O-CG 3.36Å
185	G	96.3	Very high	96.4	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-12.5	175.4	0	0	0	0	0	114.1	L183 V187 V218 H219 Q228	L183-G185 PolarHBondContact O-N 3.4Å; G185-V187 VanDerWaalsContact C-N 3.3Å; G185-V187 PolarHBondContact O-N 3.16Å; G185-V218 PolarHBondContact N-O 3.5Å; G185-H219 PolarHBondContact O-CD2 3.34Å; G185-H219 PolarHBondContact O-NE2 2.85Å; G185-Q228 PolarHBondContact O-N 2.66Å
186	S	94.5	Very high	96.4	Very high	16 Å²	16	39 Å²	39	11%	0.112	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	11	-179.6	-49.3	0	0	0	0	113.7	N184 H219 S220	N184-S186 VanDerWaalsContact C-N 3.29Å; N184-S186 WeakPolarHBondContact OD1-CA 3.47Å; N184-S186 WeakPolarHBondContact OD1-CB 3.5Å; N184-S186 PolarHBondContact OD1-N 3.29Å; S186-H219 WeakPolarHBondContact OG-CA 3.37Å; S186-S220 PolarHBondContact OG-N 3.43Å
187	V	93.5	Very high	96.5	Very high	38 Å²	38	37.2 Å²	37.2	23%	0.23	19%	0.192	C	C	.	.	S	Bend	trans	-115.5	157.4	174.7	-59.7	0	0	0	0	111.2	N184 G185 A189 P190 Q228	N184-V187 HydrophobicContact CB-CG1 4.41Å; N184-V187 HydrophobicContact CB-CG2 4.18Å; N184-V187 VanDerWaalsContact O-CG2 3.29Å; N184-V187 WeakPolarHBondContact O-CG2 3.35Å; G185-V187 VanDerWaalsContact C-N 3.3Å; G185-V187 PolarHBondContact O-N 3.16Å; V187-A189 PolarHBondContact O-N 3.39Å; V187-A189 VanDerWaalsContact O-N 3.12Å; V187-P190 WeakPolarHBondContact O-CD 3.2Å; V187-Q228 WeakPolarHBondContact O-CG 3.45Å
188	K	93.1	Very high	96.6	Very high	164 Å²	164	37.2 Å²	37.2	71%	0.713	19%	0.192	S	C	*	.	S	Bend	trans	-56.4	-31.6	-176.4	-64.1	-174.1	178.3	-177.3	0	114.9
189	A	94.8	Very high	96.7	Very high	22 Å²	22	40.3 Å²	40.3	18%	0.182	20%	0.202	C	C	.	.			trans	-141.9	91.2	-179.3	0	0	0	0	0	109.5	V187 F191 W233	V187-A189 PolarHBondContact O-N 3.39Å; V187-A189 VanDerWaalsContact O-N 3.12Å; A189-F191 VanDerWaalsContact C-N 3.27Å; A189-F191 PolarHBondContact O-N 3.27Å; A189-W233 HydrophobicContact CB-CH2 4.33Å; A189-W233 HydrophobicContact CB-CZ2 3.94Å
190	P	96.9	Very high	96.7	Very high	1 Å²	1	41.6 Å²	41.6	1%	0.006	21%	0.209	C	C	.	.	S	Bend	trans	-56.9	-41.9	178.3	-28	31.8	0	0	0	112	L183 N184 V187 L217 Q228 S234 L235	L183-P190 HydrophobicContact CB-CB 4Å; L183-P190 HydrophobicContact CD1-CB 4.38Å; N184-P190 VanDerWaalsContact O-CB 3.3Å; N184-P190 WeakPolarHBondContact O-CB 3.47Å; N184-P190 VanDerWaalsContact O-CG 3.32Å; N184-P190 WeakPolarHBondContact O-CG 3.36Å; V187-P190 WeakPolarHBondContact O-CD 3.2Å; P190-L217 HydrophobicContact CB-CD1 3.67Å; P190-L217 HydrophobicContact CG-CD1 3.91Å; P190-Q228 HydrophobicContact CG-CB 3.56Å; P190-Q228 HydrophobicContact CG-CG 3.8Å; P190-S234 WeakPolarHBondContact CD-OG 3.43Å; P190-L235 HydrophobicContact CB-CD2 4.04Å; P190-L235 HydrophobicContact CG-CD2 3.91Å
191	F	98.3	Very high	96.7	Very high	2 Å²	2	41.2 Å²	41.2	1%	0.009	21%	0.208	C	C	.	.			trans	-97.8	136.3	168.6	175.5	-107	0	0	0	110.4	L183 A189 E193 F197 L202 S234 E237 L238 K241	L183-F191 HydrophobicContact CD1-CB 4.33Å; A189-F191 VanDerWaalsContact C-N 3.27Å; A189-F191 PolarHBondContact O-N 3.27Å; F191-E193 HydrophobicContact CZ-CB 4.43Å; F191-F197 AromaticContact CD2-CD1 3.98Å; F191-F197 HydrophobicContact CD2-CD1 3.98Å; F191-F197 HydrophobicContact CD2-CE1 4.03Å; F191-F197 AromaticContact CE2-CD1 3.98Å; F191-F197 HydrophobicContact CE2-CD1 3.98Å; F191-F197 HydrophobicContact CE2-CE1 4.01Å; F191-L202 HydrophobicContact CE2-CD2 3.87Å; F191-L202 HydrophobicContact CZ-CD2 3.76Å; F191-S234 WeakPolarHBondContact CB-O 3.34Å; F191-S234 VanDerWaalsContact CD1-O 3.3Å; F191-S234 WeakPolarHBondContact CD1-O 3.39Å; F191-S234 WeakPolarHBondContact O-CB 3.32Å; F191-E237 HydrophobicContact CD1-CB 4.42Å; F191-E237 HydrophobicContact CE1-CG 4.33Å; F191-L238 HydrophobicContact CB-CB 4.26Å; F191-L238 HydrophobicContact CB-CD2 4.47Å; F191-L238 HydrophobicContact CD1-CB 3.84Å; F191-L238 HydrophobicContact CD2-CB 4.08Å; F191-L238 HydrophobicContact CD2-CD1 3.97Å; F191-L238 HydrophobicContact CD2-CD2 4.07Å; F191-L238 HydrophobicContact CD2-CG 4.26Å; F191-L238 HydrophobicContact CE1-CB 4.19Å; F191-L238 HydrophobicContact CE2-CB 4.42Å; F191-L238 HydrophobicContact CE2-CD1 3.77Å; F191-L238 HydrophobicContact CG-CB 3.78Å; F191-L238 HydrophobicContact CG-CD2 4.33Å; F191-L238 HydrophobicContact CG-CG 4.43Å; F191-L238 HydrophobicContact CZ-CB 4.47Å; F191-L238 HydrophobicContact CZ-CD1 4.16Å; F191-K241 HydrophobicContact CE1-CD 4.1Å; F191-K241 HydrophobicContact CZ-CD 3.94Å
192	N	97.3	Very high	96.7	Very high	55 Å²	55	42 Å²	42	29%	0.294	21%	0.212	S	C	.	.			trans	-147.3	119.5	175.1	-178.6	-33.6	0	0	0	108.9	N194 K195	N192-N194 PolarHBondContact O-N 2.87Å; N192-N194 VanDerWaalsContact O-N 3.1Å; N192-N194 WeakPolarHBondContact OD1-CB 3.3Å; N192-N194 PolarHBondContact OD1-N 2.95Å; N192-K195 HydrophobicContact CB-CB 4.48Å; N192-K195 HydrophobicContact CB-CG 3.78Å; N192-K195 PolarHBondContact O-N 3.15Å; N192-K195 VanDerWaalsContact O-N 3.07Å
193	E	96.7	Very high	96.6	Very high	88 Å²	88	45.1 Å²	45.1	41%	0.411	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-19.3	-177.7	61.6	173.7	-164.8	0	0	114.4	F191 G198 K199 K241	F191-E193 HydrophobicContact CZ-CB 4.43Å; E193-G198 CarbonylContact O-C 3.54Å; E193-K199 VanDerWaalsContact O-CA 3.29Å; E193-K199 WeakPolarHBondContact O-CA 3.21Å; E193-K199 VanDerWaalsContact O-CB 3.3Å; E193-K199 WeakPolarHBondContact O-CB 3.24Å; E193-K199 PolarHBondContact O-N 2.93Å; E193-K199 VanDerWaalsContact O-N 3.1Å; E193-K241 IonicContact OE2-NZ 3.67Å; E193-K241 PolarHBondContact OE2-NZ 3.49Å
194	N	96.1	Very high	96.6	Very high	119 Å²	119	47.5 Å²	47.5	64%	0.636	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	-7.9	179.3	-65	-64.1	0	0	0	113.6	N192	N192-N194 PolarHBondContact O-N 2.87Å; N192-N194 VanDerWaalsContact O-N 3.1Å; N192-N194 WeakPolarHBondContact OD1-CB 3.3Å; N192-N194 PolarHBondContact OD1-N 2.95Å
195	K	95.6	Very high	96.7	Very high	94 Å²	94	45.8 Å²	45.8	41%	0.409	24%	0.235	S	C	.	.	S	Bend	trans	-87	162	175.5	-63.1	-68	-168	175.2	0	110.5	N192 F197 G198 K199	N192-K195 HydrophobicContact CB-CB 4.48Å; N192-K195 HydrophobicContact CB-CG 3.78Å; N192-K195 PolarHBondContact O-N 3.15Å; N192-K195 VanDerWaalsContact O-N 3.07Å; K195-F197 VanDerWaalsContact C-N 3.31Å; K195-F197 PolarHBondContact O-N 2.89Å; K195-F197 VanDerWaalsContact O-N 3.17Å; K195-G198 PolarHBondContact O-N 2.94Å; K195-K199 VanDerWaalsContact O-CB 3.27Å; K195-K199 WeakPolarHBondContact O-CB 3.4Å; K195-K199 PolarHBondContact O-N 3.4Å
196	T	96	Very high	96.8	Very high	50 Å²	50	50.3 Å²	50.3	31%	0.307	26%	0.255	S	S	.	.	H	α-helix	trans	-45.6	-50.7	-176.3	-53.3	0	0	0	0	113.2	S168 K199 I200 E201	S168-T196 VanDerWaalsContact OG-CG2 3.3Å; S168-T196 WeakPolarHBondContact OG-CG2 3.08Å; T196-K199 PolarHBondContact O-N 3.39Å; T196-I200 HydrophobicContact CG2-CD1 4.22Å; T196-I200 WeakPolarHBondContact O-CA 3.37Å; T196-I200 WeakPolarHBondContact O-CB 3.25Å; T196-I200 PolarHBondContact O-N 3.3Å; T196-E201 HydrophobicContact CG2-CG 4.45Å; T196-E201 PolarHBondContact O-N 2.77Å
197	F	98.2	Very high	96.9	Very high	3 Å²	3	54.5 Å²	54.5	1%	0.013	27%	0.272	C	S	.	.	I	π-helix	trans	-57.8	-53.4	177.8	176.6	-103.2	0	0	0	113	F101 V181 F191 K195 E201 L202 L205 L213 L238	F101-F197 HydrophobicContact CB-CD2 3.8Å; F101-F197 HydrophobicContact CB-CE2 3.87Å; F101-F197 HydrophobicContact CD1-CD2 4.29Å; F101-F197 HydrophobicContact CG-CD2 4.19Å; F101-F197 HydrophobicContact CG-CE2 4.11Å; V181-F197 HydrophobicContact CB-CE2 3.99Å; V181-F197 HydrophobicContact CB-CZ 3.92Å; V181-F197 HydrophobicContact CG1-CE1 4.44Å; V181-F197 HydrophobicContact CG1-CZ 4.05Å; V181-F197 HydrophobicContact CG2-CD1 4.15Å; V181-F197 HydrophobicContact CG2-CD2 3.89Å; V181-F197 HydrophobicContact CG2-CE1 3.95Å; V181-F197 HydrophobicContact CG2-CE2 3.69Å; V181-F197 HydrophobicContact CG2-CG 4.13Å; V181-F197 HydrophobicContact CG2-CZ 3.73Å; F191-F197 AromaticContact CD2-CD1 3.98Å; F191-F197 HydrophobicContact CD2-CD1 3.98Å; F191-F197 HydrophobicContact CD2-CE1 4.03Å; F191-F197 AromaticContact CE2-CD1 3.98Å; F191-F197 HydrophobicContact CE2-CD1 3.98Å; F191-F197 HydrophobicContact CE2-CE1 4.01Å; K195-F197 VanDerWaalsContact C-N 3.31Å; K195-F197 PolarHBondContact O-N 2.89Å; K195-F197 VanDerWaalsContact O-N 3.17Å; F197-E201 WeakPolarHBondContact CA-OE2 3.25Å; F197-E201 WeakPolarHBondContact CB-OE2 3.4Å; F197-E201 HydrophobicContact CD2-CB 4.17Å; F197-E201 VanDerWaalsContact CD2-OE2 3.27Å; F197-E201 WeakPolarHBondContact CD2-OE2 3.3Å; F197-E201 PolarHBondContact O-N 2.88Å; F197-L202 HydrophobicContact CZ-CD1 4.29Å; F197-L202 VanDerWaalsContact O-CB 3.24Å; F197-L202 WeakPolarHBondContact O-CB 3.48Å; F197-L202 PolarHBondContact O-N 3.45Å; F197-L205 HydrophobicContact CE2-CD1 4.49Å; F197-L213 HydrophobicContact CE2-CD1 4.49Å; F197-L213 HydrophobicContact CZ-CD1 3.98Å; F197-L238 HydrophobicContact CE1-CD1 3.93Å; F197-L238 HydrophobicContact CE1-CD2 4.15Å; F197-L238 HydrophobicContact CZ-CD1 4.42Å
198	G	97.9	Very high	97.1	Very high	8 Å²	8	57.4 Å²	57.4	8%	0.082	29%	0.292	C	S	.	.	I	π-helix	trans	-68.9	-36.6	-178.7	0	0	0	0	0	114.1	E193 K195	E193-G198 CarbonylContact O-C 3.54Å; K195-G198 PolarHBondContact O-N 2.94Å
199	K	97.3	Very high	97.2	Very high	130 Å²	130	55.3 Å²	55.3	57%	0.565	28%	0.28	S	S	*	.	I	π-helix	trans	-84.6	-38.3	-172.1	-172.5	177.3	176.6	178.9	0	113.4	E193 K195 T196	E193-K199 VanDerWaalsContact O-CA 3.29Å; E193-K199 WeakPolarHBondContact O-CA 3.21Å; E193-K199 VanDerWaalsContact O-CB 3.3Å; E193-K199 WeakPolarHBondContact O-CB 3.24Å; E193-K199 PolarHBondContact O-N 2.93Å; E193-K199 VanDerWaalsContact O-N 3.1Å; K195-K199 VanDerWaalsContact O-CB 3.27Å; K195-K199 WeakPolarHBondContact O-CB 3.4Å; K195-K199 PolarHBondContact O-N 3.4Å; T196-K199 PolarHBondContact O-N 3.39Å
200	I	97.7	Very high	97.3	Very high	28 Å²	28	54.3 Å²	54.3	14%	0.144	27%	0.271	C	S	.	.	I	π-helix	trans	-115.1	-50.7	-167.3	-65.5	163.9	0	0	0	110.6	Q165 A169 T196 L204	Q165-I200 HydrophobicContact CB-CD1 3.91Å; Q165-I200 HydrophobicContact CG-CD1 3.51Å; A169-I200 HydrophobicContact CB-CG2 3.78Å; T196-I200 HydrophobicContact CG2-CD1 4.22Å; T196-I200 WeakPolarHBondContact O-CA 3.37Å; T196-I200 WeakPolarHBondContact O-CB 3.25Å; T196-I200 PolarHBondContact O-N 3.3Å; I200-L204 VanDerWaalsContact O-CD1 3.27Å; I200-L204 WeakPolarHBondContact O-CD1 3.34Å; I200-L204 WeakPolarHBondContact O-CG 3.37Å
201	E	98.4	Very high	97.3	Very high	11 Å²	11	59.9 Å²	59.9	5%	0.051	30%	0.298	C	S	.	.	I	π-helix	trans	-79	-53.7	-170.2	-57.9	170.5	158.1	0	0	111	F101 S168 A172 T196 F197 L204 L205	F101-E201 HydrophobicContact CD1-CB 4.09Å; F101-E201 HydrophobicContact CD1-CG 4.2Å; F101-E201 WeakPolarHBondContact CD1-OE2 3.44Å; F101-E201 HydrophobicContact CE1-CB 4.04Å; F101-E201 HydrophobicContact CE1-CG 4.23Å; S168-E201 VanDerWaalsContact CB-OE1 3.24Å; S168-E201 WeakPolarHBondContact CB-OE1 3.23Å; S168-E201 PolarHBondContact OG-OE1 2.9Å; A172-E201 HydrophobicContact CB-CB 3.9Å; A172-E201 HydrophobicContact CB-CG 4.34Å; A172-E201 WeakPolarHBondContact CB-O 3.37Å; T196-E201 HydrophobicContact CG2-CG 4.45Å; T196-E201 PolarHBondContact O-N 2.77Å; F197-E201 WeakPolarHBondContact CA-OE2 3.25Å; F197-E201 WeakPolarHBondContact CB-OE2 3.4Å; F197-E201 HydrophobicContact CD2-CB 4.17Å; F197-E201 VanDerWaalsContact CD2-OE2 3.27Å; F197-E201 WeakPolarHBondContact CD2-OE2 3.3Å; F197-E201 PolarHBondContact O-N 2.88Å; E201-L204 WeakPolarHBondContact O-CB 3.18Å; E201-L204 PolarHBondContact O-N 3.25Å; E201-L205 PolarHBondContact O-N 3.44Å
202	L	98.4	Very high	97.3	Very high	15 Å²	15	62.4 Å²	62.4	8%	0.079	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-52.6	-44.7	-176.4	-179.7	69.2	0	0	0	113.4	F191 F197 L204 L205 L238 K241 L242	F191-L202 HydrophobicContact CE2-CD2 3.87Å; F191-L202 HydrophobicContact CZ-CD2 3.76Å; F197-L202 HydrophobicContact CZ-CD1 4.29Å; F197-L202 VanDerWaalsContact O-CB 3.24Å; F197-L202 WeakPolarHBondContact O-CB 3.48Å; F197-L202 PolarHBondContact O-N 3.45Å; L202-L204 PolarHBondContact O-N 3.49Å; L202-L205 HydrophobicContact CD1-CD1 4.27Å; L202-L205 PolarHBondContact O-N 3.38Å; L202-L238 HydrophobicContact CD1-CD1 3.84Å; L202-L238 HydrophobicContact CD2-CD1 3.77Å; L202-L238 HydrophobicContact CG-CD1 4.47Å; L202-K241 HydrophobicContact CD2-CB 4.21Å; L202-K241 HydrophobicContact CD2-CD 3.97Å; L202-L242 HydrophobicContact CD1-CD2 3.61Å; L202-L242 HydrophobicContact CD1-CG 4.11Å
203	P	98	Very high	97.4	Very high	66 Å²	66	59.8 Å²	59.8	43%	0.429	30%	0.295	S	S	.	.	G	3₁₀ helix	trans	-65.3	-20.3	178.4	-23.4	36.2	0	0	0	114.7	K206	P203-K206 WeakPolarHBondContact O-CE 3.47Å; P203-K206 PolarHBondContact O-NZ 3.46Å
204	L	98.3	Very high	97.5	Very high	50 Å²	50	55.9 Å²	55.9	26%	0.262	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-92.5	-12.6	-178.8	-63.3	172.1	0	0	0	112.8	A169 A172 R173 I200 E201 L202	A169-L204 HydrophobicContact CB-CD1 3.69Å; A169-L204 WeakPolarHBondContact O-CD1 3.49Å; A172-L204 HydrophobicContact CB-CB 3.86Å; A172-L204 HydrophobicContact CB-CD1 4.33Å; R173-L204 HydrophobicContact CG-CB 4.41Å; R173-L204 HydrophobicContact CG-CD1 4.25Å; R173-L204 HydrophobicContact CG-CD2 4.34Å; I200-L204 VanDerWaalsContact O-CD1 3.27Å; I200-L204 WeakPolarHBondContact O-CD1 3.34Å; I200-L204 WeakPolarHBondContact O-CG 3.37Å; E201-L204 WeakPolarHBondContact O-CB 3.18Å; E201-L204 PolarHBondContact O-N 3.25Å; L202-L204 PolarHBondContact O-N 3.49Å
205	L	98.2	Very high	97.6	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.005	25%	0.247	C	C	.	.			trans	-72.4	125.2	171.2	-55.1	178.6	0	0	0	109.4	F101 A172 A175 I179 F197 E201 L202 V210 L213 I247	F101-L205 HydrophobicContact CE2-CD2 4.16Å; F101-L205 HydrophobicContact CZ-CD2 3.89Å; A172-L205 HydrophobicContact CB-CD2 4.19Å; A175-L205 HydrophobicContact CB-CD2 3.63Å; I179-L205 HydrophobicContact CD1-CD1 3.69Å; I179-L205 HydrophobicContact CD1-CD2 3.9Å; I179-L205 HydrophobicContact CD1-CG 4.36Å; F197-L205 HydrophobicContact CE2-CD1 4.49Å; E201-L205 PolarHBondContact O-N 3.44Å; L202-L205 HydrophobicContact CD1-CD1 4.27Å; L202-L205 PolarHBondContact O-N 3.38Å; L205-V210 HydrophobicContact CB-CG2 4.31Å; L205-V210 HydrophobicContact CD2-CG2 4.23Å; L205-L213 HydrophobicContact CD1-CD1 3.83Å; L205-I247 HydrophobicContact CB-CD1 3.97Å
206	K	96.9	Very high	97.8	Very high	96 Å²	96	46.5 Å²	46.5	42%	0.417	23%	0.231	S	C	.	.			trans	-133.9	130.9	-175.2	-59.5	-63.7	172.8	-160.6	0	111.7	P203 R209 V210	P203-K206 WeakPolarHBondContact O-CE 3.47Å; P203-K206 PolarHBondContact O-NZ 3.46Å; K206-R209 WeakPolarHBondContact O-CB 3.23Å; K206-R209 PolarHBondContact O-N 3.42Å; K206-V210 PolarHBondContact O-N 2.78Å
207	H	97.6	Very high	97.9	Very high	103 Å²	103	44.1 Å²	44.1	48%	0.477	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	144.6	160.8	-178.2	-85.9	0	0	0	110	H246 I247	H207-H246 HydrophobicContact CB-CB 4.41Å; H207-H246 PolarHBondContact CD2-O 2.77Å; H207-H246 VanDerWaalsContact CD2-O 3.28Å; H207-I247 HydrophobicContact CB-CG1 4.09Å
208	P	96.6	Very high	97.8	Very high	99 Å²	99	44.1 Å²	44.1	64%	0.643	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	cis	-87.6	3.4	0.9	36.2	-36.6	0	0	0	114.5
209	R	95.9	Very high	97.6	Very high	120 Å²	120	44 Å²	44	45%	0.453	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-48.9	-178.4	-164.5	-170.6	-56.1	127.7	10.3	110.3	R173 A175 S176 G177 K206	R173-R209 PolarHBondContact O-NH1 3.11Å; A175-R209 WeakPolarHBondContact O-CD 2.99Å; A175-R209 VanDerWaalsContact O-CG 3.29Å; A175-R209 WeakPolarHBondContact O-CG 3.36Å; S176-R209 CarbonylContact C-O 3.59Å; S176-R209 WeakPolarHBondContact CA-O 3.44Å; G177-R209 PolarHBondContact N-O 3.44Å; K206-R209 WeakPolarHBondContact O-CB 3.23Å; K206-R209 PolarHBondContact O-N 3.42Å
210	V	97.6	Very high	97.4	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.5	168	178	0	0	0	0	108.4	A175 I179 L205 K206 I247	A175-V210 HydrophobicContact CB-CG2 4.12Å; I179-V210 HydrophobicContact CD1-CG1 3.71Å; I179-V210 HydrophobicContact CD1-CG2 4.17Å; I179-V210 HydrophobicContact CG1-CG1 3.84Å; L205-V210 HydrophobicContact CB-CG2 4.31Å; L205-V210 HydrophobicContact CD2-CG2 4.23Å; K206-V210 PolarHBondContact O-N 2.78Å; V210-I247 HydrophobicContact CB-CD1 4.2Å; V210-I247 HydrophobicContact CG1-CD1 4.24Å; V210-I247 HydrophobicContact CG1-CG2 3.9Å
211	Q	97.2	Very high	97	Very high	119 Å²	119	39.1 Å²	39.1	56%	0.556	20%	0.197	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	-30.9	-176.2	-65.5	178.4	0.9	0	0	112.6	G177 P248	G177-Q211 PolarHBondContact O-N 2.87Å; Q211-P248 WeakPolarHBondContact O-CD 3.31Å; Q211-P248 WeakPolarHBondContact O-CG 2.98Å
212	Q	98.2	Very high	96.2	Very high	55 Å²	55	44.5 Å²	44.5	26%	0.257	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.7	145.5	176.3	179.5	175.2	-23.7	0	0	109.5	N178 I179 T214 P248	N178-Q212 WeakPolarHBondContact OD1-CB 3.31Å; I179-Q212 PolarHBondContact N-O 3.49Å; Q212-T214 PolarHBondContact NE2-OG1 3.05Å; Q212-T214 VanDerWaalsContact NE2-OG1 3.13Å; Q212-P248 HydrophobicContact CB-CB 4.34Å; Q212-P248 HydrophobicContact CG-CB 4.2Å
213	L	98.7	Very high	94.8	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	121.6	167.8	-174.2	156.5	0	0	0	109.7	I179 V181 F197 L205 V215 L242 I247 P248 F249 R250	I179-L213 HydrophobicContact CD1-CB 4.45Å; I179-L213 HydrophobicContact CD1-CD1 4.01Å; I179-L213 HydrophobicContact CD1-CG 4.28Å; I179-L213 HydrophobicContact CG1-CB 4.11Å; I179-L213 HydrophobicContact CG1-CD1 4.39Å; I179-L213 HydrophobicContact CG1-CG 4.11Å; I179-L213 WeakPolarHBondContact O-CA 3.4Å; V181-L213 HydrophobicContact CG1-CD2 3.63Å; V181-L213 HydrophobicContact CG1-CG 4.46Å; F197-L213 HydrophobicContact CE2-CD1 4.49Å; F197-L213 HydrophobicContact CZ-CD1 3.98Å; L205-L213 HydrophobicContact CD1-CD1 3.83Å; L213-V215 HydrophobicContact CD2-CG2 4.04Å; L213-L242 HydrophobicContact CB-CD1 4.11Å; L213-L242 HydrophobicContact CB-CD2 4.32Å; L213-L242 HydrophobicContact CD1-CD1 4.05Å; L213-L242 HydrophobicContact CD1-CD2 3.9Å; L213-L242 HydrophobicContact CD2-CD1 3.84Å; L213-L242 HydrophobicContact CG-CD1 4.21Å; L213-I247 HydrophobicContact CB-CG2 3.97Å; L213-P248 PolarHBondContact N-O 3.12Å; L213-F249 HydrophobicContact CD2-CD2 4.37Å; L213-F249 WeakPolarHBondContact O-CA 3.49Å; L213-R250 PolarHBondContact O-N 3.03Å
214	T	98.7	Very high	93.5	Very high	6 Å²	6	49.8 Å²	49.8	4%	0.037	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	116.8	175.6	-59.1	0	0	0	0	111.1	I179 F180 V181 Q212 R250 I252	I179-T214 PolarHBondContact O-N 2.78Å; F180-T214 CarbonylContact C-O 3.57Å; F180-T214 VanDerWaalsContact CA-O 3.23Å; F180-T214 WeakPolarHBondContact CA-O 3.32Å; F180-T214 HydrophobicContact CD1-CG2 3.95Å; F180-T214 HydrophobicContact CE1-CG2 3.92Å; V181-T214 PolarHBondContact N-O 2.83Å; Q212-T214 PolarHBondContact NE2-OG1 3.05Å; Q212-T214 VanDerWaalsContact NE2-OG1 3.13Å; T214-R250 CarbonylContact C-O 3.36Å; T214-R250 VanDerWaalsContact CA-O 3.3Å; T214-R250 WeakPolarHBondContact CA-O 3.26Å; T214-R250 HydrophobicContact CG2-CB 4.13Å; T214-R250 HydrophobicContact CG2-CG 4.1Å; T214-I252 HydrophobicContact CG2-CD1 3.93Å; T214-I252 HydrophobicContact CG2-CG1 4.17Å
215	V	98.8	Very high	92.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	129.6	168.9	176.3	0	0	0	0	109.5	V181 L183 L213 L217 L235 L238 F249 R250 C251 I252	V181-V215 HydrophobicContact CG1-CB 4.13Å; V181-V215 HydrophobicContact CG1-CG1 4.5Å; V181-V215 HydrophobicContact CG1-CG2 3.5Å; V181-V215 CarbonylContact O-C 3.45Å; V181-V215 WeakPolarHBondContact O-CA 3.37Å; L183-V215 HydrophobicContact CB-CG1 4.49Å; L183-V215 HydrophobicContact CD1-CG1 3.91Å; L183-V215 HydrophobicContact CD1-CG2 4.37Å; L183-V215 HydrophobicContact CG-CG1 4.26Å; L213-V215 HydrophobicContact CD2-CG2 4.04Å; V215-L217 HydrophobicContact CG1-CB 4.26Å; V215-L235 HydrophobicContact CG1-CD1 4.06Å; V215-L235 HydrophobicContact CG2-CD1 4.42Å; V215-L238 HydrophobicContact CG2-CD2 3.7Å; V215-F249 HydrophobicContact CB-CE2 4.4Å; V215-F249 HydrophobicContact CG2-CD2 4.39Å; V215-F249 HydrophobicContact CG2-CE2 3.41Å; V215-F249 VanDerWaalsContact CG2-CE2 3.41Å; V215-F249 HydrophobicContact CG2-CZ 3.93Å; V215-R250 PolarHBondContact N-O 2.81Å; V215-C251 HydrophobicContact CB-CB 4.02Å; V215-C251 CarbonylContact O-C 3.35Å; V215-C251 WeakPolarHBondContact O-CA 3.35Å; V215-I252 PolarHBondContact O-N 2.67Å
216	K	98.5	Very high	90.9	Very high	16 Å²	16	57.9 Å²	57.9	7%	0.07	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	100.6	166.4	-65.2	-164.6	-176.3	-165.2	0	107.6	Y100 F180 V181 V182 L183 P255 E257 F258	Y100-K216 HydrophobicContact CE1-CD 4.14Å; Y100-K216 PolarHBondContact OH-NZ 3.31Å; F180-K216 HydrophobicContact CD1-CD 4.07Å; F180-K216 HydrophobicContact CD1-CG 4.12Å; F180-K216 VanDerWaalsContact CE1-CE 3.44Å; V181-K216 PolarHBondContact O-N 3.44Å; V182-K216 WeakPolarHBondContact CA-O 3.29Å; V182-K216 HydrophobicContact CG2-CB 4.34Å; L183-K216 PolarHBondContact N-O 2.86Å; K216-P255 HydrophobicContact CB-CG 3.91Å; K216-P255 HydrophobicContact CD-CG 4.21Å; K216-P255 HydrophobicContact CG-CG 4.04Å; K216-E257 IonicContact NZ-OE1 3.24Å; K216-E257 PolarHBondContact NZ-OE1 3.11Å; K216-F258 HydrophobicContact CB-CE2 4.16Å; K216-F258 HydrophobicContact CD-CD2 4.15Å; K216-F258 HydrophobicContact CD-CE2 3.4Å; K216-F258 HydrophobicContact CD-CZ 4.25Å; K216-F258 HydrophobicContact CG-CE2 4.41Å
217	L	98	Very high	90.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	110	-174.2	-167.4	61.5	0	0	0	109.2	L183 P190 V215 Q228 T229 L235 I252 D253 D254	L183-L217 HydrophobicContact CB-CD1 3.82Å; P190-L217 HydrophobicContact CB-CD1 3.67Å; P190-L217 HydrophobicContact CG-CD1 3.91Å; V215-L217 HydrophobicContact CG1-CB 4.26Å; L217-Q228 WeakPolarHBondContact CD2-O 3.43Å; L217-T229 VanDerWaalsContact CD2-C 3.44Å; L217-L235 HydrophobicContact CD2-CD2 4.35Å; L217-I252 PolarHBondContact N-O 3.12Å; L217-D253 WeakPolarHBondContact CD2-OD1 3.46Å; L217-D254 WeakPolarHBondContact O-CA 3.38Å; L217-D254 PolarHBondContact O-N 3.36Å
218	V	96.6	Very high	90.3	Very high	3 Å²	3	54 Å²	54	2%	0.018	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.5	-172.3	-179.9	0	0	0	0	109.9	I108 V182 L183 G185 F258	I108-V218 HydrophobicContact CD1-CG1 3.74Å; V182-V218 HydrophobicContact CG1-CB 4.41Å; V182-V218 HydrophobicContact CG1-CG2 3.58Å; L183-V218 PolarHBondContact O-N 3.48Å; G185-V218 PolarHBondContact N-O 3.5Å; V218-F258 HydrophobicContact CG1-CB 4.18Å; V218-F258 HydrophobicContact CG2-CB 3.68Å; V218-F258 HydrophobicContact CG2-CD1 3.76Å; V218-F258 HydrophobicContact CG2-CD2 4.08Å; V218-F258 HydrophobicContact CG2-CE1 4.46Å; V218-F258 HydrophobicContact CG2-CG 3.53Å
219	H	94.6	Very high	90.3	Very high	6 Å²	6	52.1 Å²	52.1	3%	0.028	26%	0.26	C	S	.	.			trans	-100.7	147.1	172.3	-59.6	82.6	0	0	0	112.3	G185 S186 R227 Q228 D254 Q262	G185-H219 PolarHBondContact O-CD2 3.34Å; G185-H219 PolarHBondContact O-NE2 2.85Å; S186-H219 WeakPolarHBondContact OG-CA 3.37Å; H219-R227 VanDerWaalsContact CB-NH1 3.3Å; H219-R227 PolarHBondContact ND1-NH2 3.43Å; H219-Q228 PolarHBondContact CE1-O 3.03Å; H219-Q228 VanDerWaalsContact CE1-O 3.25Å; H219-Q228 PolarHBondContact NE2-O 3.21Å; H219-D254 WeakPolarHBondContact CB-OD1 3.23Å; H219-D254 IonicContact CE1-OD1 3.46Å; H219-D254 IonicContact CE1-OD2 3.43Å; H219-D254 IonicContact CG-OD1 2.78Å; H219-D254 IonicContact CG-OD2 2.73Å; H219-D254 PolarHBondContact N-OD1 2.86Å; H219-D254 VanDerWaalsContact ND1-CG 3.25Å; H219-D254 IonicContact ND1-OD1 3.65Å; H219-D254 PolarHBondContact ND1-OD1 3.34Å; H219-D254 IonicContact ND1-OD2 2.71Å; H219-D254 PolarHBondContact ND1-OD2 2.74Å; H219-D254 VanDerWaalsContact ND1-OD2 3.1Å; H219-Q262 PolarHBondContact O-NE2 3.43Å; H219-Q262 PolarHBondContact O-OE1 2.94Å
220	S	91.8	Very high	90.4	Very high	30 Å²	30	47.5 Å²	47.5	21%	0.21	25%	0.247	C	C	.	.			trans	-56.3	141.9	164.3	172.1	0	0	0	0	109.9	S186 E222 D223 R227	S186-S220 PolarHBondContact OG-N 3.43Å; S220-E222 PolarHBondContact O-N 2.99Å; S220-E222 PolarHBondContact OG-N 2.97Å; S220-E222 VanDerWaalsContact OG-N 3.14Å; S220-D223 WeakPolarHBondContact CB-OD2 3.48Å; S220-D223 PolarHBondContact OG-OD2 3.5Å; S220-R227 PolarHBondContact O-NH1 3.22Å
221	L	89.2	Confident	90.3	Very high	25 Å²	25	54.9 Å²	54.9	13%	0.131	28%	0.281	C	S	.	.	S	Bend	trans	-72.4	-11.1	173.6	-60.2	179.2	0	0	0	113.1	Q262 K269 L271 C272	L221-Q262 HydrophobicContact CD1-CB 3.53Å; L221-Q262 HydrophobicContact CD2-CB 4.34Å; L221-Q262 HydrophobicContact CG-CB 3.85Å; L221-K269 HydrophobicContact CB-CB 4.22Å; L221-K269 HydrophobicContact CB-CG 4.09Å; L221-K269 HydrophobicContact CD1-CB 4.18Å; L221-K269 HydrophobicContact CD1-CG 4.17Å; L221-L271 HydrophobicContact CD2-CB 3.97Å; L221-L271 HydrophobicContact CD2-CD1 4.13Å; L221-C272 WeakPolarHBondContact CD1-SG 3.45Å
222	E	82.1	Confident	90.3	Very high	123 Å²	123	50 Å²	50	58%	0.575	26%	0.26	S	S	*	.	S	Bend	trans	-98.7	-33	-178.1	-55.3	-172.4	164.7	0	0	112.3	S220 V224 K269	S220-E222 PolarHBondContact O-N 2.99Å; S220-E222 PolarHBondContact OG-N 2.97Å; S220-E222 VanDerWaalsContact OG-N 3.14Å; E222-V224 PolarHBondContact O-N 3.41Å; E222-K269 VanDerWaalsContact CD-NZ 3.3Å; E222-K269 HydrophobicContact CG-CD 4.3Å; E222-K269 WeakPolarHBondContact OE1-CE 3.01Å; E222-K269 IonicContact OE1-NZ 2.73Å; E222-K269 PolarHBondContact OE1-NZ 3.23Å
223	D	69.6	Low	90.2	Very high	77 Å²	77	54.7 Å²	54.7	41%	0.412	28%	0.275	S	S	.	.			trans	-90.2	107.4	-170	-65.7	-50.2	0	0	0	111.9	S220 R227	S220-D223 WeakPolarHBondContact CB-OD2 3.48Å; S220-D223 PolarHBondContact OG-OD2 3.5Å; D223-R227 PolarHBondContact O-NH1 3.24Å
224	V	70.1	Confident	90.2	Very high	116 Å²	116	54.7 Å²	54.7	70%	0.703	28%	0.275	S	S	*	.			trans	-88.6	-15	168.5	-67	0	0	0	0	112.7	E222	E222-V224 PolarHBondContact O-N 3.41Å
225	N	71.2	Confident	90.2	Very high	120 Å²	120	54.4 Å²	54.4	64%	0.642	27%	0.274	S	S	*	.	S	Bend	trans	-97	142.6	-177.2	-65.4	-33.8	0	0	0	111.5	R227	N225-R227 VanDerWaalsContact C-N 3.34Å; N225-R227 PolarHBondContact O-N 3.06Å
226	N	70.7	Confident	90.2	Very high	100 Å²	100	59.5 Å²	59.5	54%	0.535	30%	0.298	S	S	.	.	S	Bend	trans	62.2	29.3	179.1	-53.3	-62.4	0	0	0	116	Q228	N226-Q228 PolarHBondContact O-N 2.89Å; N226-Q228 VanDerWaalsContact O-N 3.07Å; N226-Q228 PolarHBondContact O-NE2 3.37Å
227	R	87.3	Confident	90.1	Very high	83 Å²	83	61.3 Å²	61.3	31%	0.313	31%	0.306	S	S	.	.			trans	-66.1	106.3	174.5	-60.4	-176.1	72.2	91.1	-5.6	110.5	H219 S220 D223 N225 D254	H219-R227 VanDerWaalsContact CB-NH1 3.3Å; H219-R227 PolarHBondContact ND1-NH2 3.43Å; S220-R227 PolarHBondContact O-NH1 3.22Å; D223-R227 PolarHBondContact O-NH1 3.24Å; N225-R227 VanDerWaalsContact C-N 3.34Å; N225-R227 PolarHBondContact O-N 3.06Å; R227-D254 IonicContact NH2-OD2 2.75Å; R227-D254 PolarHBondContact NH2-OD2 3.23Å
228	Q	94.8	Very high	90.2	Very high	35 Å²	35	61.3 Å²	61.3	16%	0.164	31%	0.306	C	S	.	.			trans	-80	132.3	169.9	-60.5	-53.5	-70.5	0	0	108.4	G185 V187 P190 L217 H219 N226 S232	G185-Q228 PolarHBondContact O-N 2.66Å; V187-Q228 WeakPolarHBondContact O-CG 3.45Å; P190-Q228 HydrophobicContact CG-CB 3.56Å; P190-Q228 HydrophobicContact CG-CG 3.8Å; L217-Q228 WeakPolarHBondContact CD2-O 3.43Å; H219-Q228 PolarHBondContact CE1-O 3.03Å; H219-Q228 VanDerWaalsContact CE1-O 3.25Å; H219-Q228 PolarHBondContact NE2-O 3.21Å; N226-Q228 PolarHBondContact O-N 2.89Å; N226-Q228 VanDerWaalsContact O-N 3.07Å; N226-Q228 PolarHBondContact O-NE2 3.37Å; Q228-S232 WeakPolarHBondContact CA-OG 3.27Å; Q228-S232 WeakPolarHBondContact CB-OG 3.4Å; Q228-S232 VanDerWaalsContact OE1-CB 3.27Å; Q228-S232 PolarHBondContact OE1-OG 2.8Å
229	T	96.2	Very high	90.3	Very high	59 Å²	59	61.8 Å²	61.8	36%	0.362	31%	0.31	S	S	.	.			trans	-94.6	173.1	171.6	66.1	0	0	0	0	111	L217 E231 S232 D253	L217-T229 VanDerWaalsContact CD2-C 3.44Å; T229-E231 PolarHBondContact O-N 2.92Å; T229-E231 PolarHBondContact OG1-N 3.4Å; T229-S232 PolarHBondContact N-OG 3.37Å; T229-S232 VanDerWaalsContact O-CB 3.29Å; T229-S232 WeakPolarHBondContact O-CB 3.14Å; T229-S232 PolarHBondContact O-N 3.4Å; T229-S232 PolarHBondContact O-OG 3.18Å; T229-D253 VanDerWaalsContact CA-OD1 3.28Å; T229-D253 WeakPolarHBondContact CA-OD1 3.44Å
230	C	98	Very high	90.4	Very high	24 Å²	24	66.5 Å²	66.5	16%	0.162	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-18.8	169.2	-75.2	0	0	0	0	114.9	C251 I252 D253	C230-C251 WeakPolarHBondContact CA-SG 3.22Å; C230-C251 HydrophobicContact CB-CB 3.56Å; C230-C251 WeakPolarHBondContact CB-SG 3.45Å; C230-C251 WeakPolarHBondContact SG-CB 3.27Å; C230-C251 CovalentContact SG-SG 2.03Å; C230-C251 PolarHBondContact SG-SG 3.19Å; C230-I252 VanDerWaalsContact SG-C 3.57Å; C230-I252 PolarHBondContact SG-N 3.44Å; C230-D253 WeakPolarHBondContact CB-OD2 3.46Å; C230-D253 PolarHBondContact N-OD1 3.36Å; C230-D253 PolarHBondContact N-OD2 3.02Å; C230-D253 PolarHBondContact SG-OD2 2.04Å
231	E	96.6	Very high	90.7	Very high	156 Å²	156	68.3 Å²	68.3	73%	0.729	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.4	177.4	-59.3	-177.3	165.2	0	0	113.3	T229 Q236	T229-E231 PolarHBondContact O-N 2.92Å; T229-E231 PolarHBondContact OG1-N 3.4Å; E231-Q236 PolarHBondContact O-NE2 3.33Å
232	S	96.9	Very high	91.2	Very high	16 Å²	16	67.1 Å²	67.1	11%	0.112	33%	0.334	C	S	.	.	S	Bend	trans	-68.6	150.5	-175.6	-47.9	0	0	0	0	112.4	Q228 T229 S234 L235 Q236	Q228-S232 WeakPolarHBondContact CA-OG 3.27Å; Q228-S232 WeakPolarHBondContact CB-OG 3.4Å; Q228-S232 VanDerWaalsContact OE1-CB 3.27Å; Q228-S232 PolarHBondContact OE1-OG 2.8Å; T229-S232 PolarHBondContact N-OG 3.37Å; T229-S232 VanDerWaalsContact O-CB 3.29Å; T229-S232 WeakPolarHBondContact O-CB 3.14Å; T229-S232 PolarHBondContact O-N 3.4Å; T229-S232 PolarHBondContact O-OG 3.18Å; S232-S234 VanDerWaalsContact C-N 3.28Å; S232-S234 PolarHBondContact O-N 3.16Å; S232-S234 VanDerWaalsContact O-N 3.11Å; S232-L235 PolarHBondContact O-N 3.21Å; S232-Q236 PolarHBondContact O-N 2.92Å; S232-Q236 VanDerWaalsContact O-N 3.12Å
233	W	97	Very high	91.9	Very high	153 Å²	153	65.7 Å²	65.7	58%	0.58	33%	0.33	S	S	*	.	H	α-helix	trans	-50.8	-41.6	-173.3	71.7	-88.1	0	0	0	113.9	A189 L235 Q236 E237	A189-W233 HydrophobicContact CB-CH2 4.33Å; A189-W233 HydrophobicContact CB-CZ2 3.94Å; W233-L235 VanDerWaalsContact C-N 3.3Å; W233-L235 PolarHBondContact O-N 3.06Å; W233-Q236 WeakPolarHBondContact O-CB 3.4Å; W233-Q236 PolarHBondContact O-N 2.86Å; W233-E237 WeakPolarHBondContact CZ3-OE2 3.29Å; W233-E237 PolarHBondContact O-N 3.41Å
234	S	97.7	Very high	93.2	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-69.6	-28.9	-178.5	60.7	0	0	0	0	112.5	P190 F191 S232 L238	P190-S234 WeakPolarHBondContact CD-OG 3.43Å; F191-S234 WeakPolarHBondContact CB-O 3.34Å; F191-S234 VanDerWaalsContact CD1-O 3.3Å; F191-S234 WeakPolarHBondContact CD1-O 3.39Å; F191-S234 WeakPolarHBondContact O-CB 3.32Å; S232-S234 VanDerWaalsContact C-N 3.28Å; S232-S234 PolarHBondContact O-N 3.16Å; S232-S234 VanDerWaalsContact O-N 3.11Å; S234-L238 PolarHBondContact O-N 2.94Å; S234-L238 VanDerWaalsContact O-N 3.15Å
235	L	98.5	Very high	94.5	Very high	1 Å²	1	62.9 Å²	62.9	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-76.6	-34.1	174.9	-72.9	-51.1	0	0	0	110.8	L183 P190 V215 L217 S232 W233 E237 L238 A239	L183-L235 HydrophobicContact CD1-CD1 3.78Å; P190-L235 HydrophobicContact CB-CD2 4.04Å; P190-L235 HydrophobicContact CG-CD2 3.91Å; V215-L235 HydrophobicContact CG1-CD1 4.06Å; V215-L235 HydrophobicContact CG2-CD1 4.42Å; L217-L235 HydrophobicContact CD2-CD2 4.35Å; S232-L235 PolarHBondContact O-N 3.21Å; W233-L235 VanDerWaalsContact C-N 3.3Å; W233-L235 PolarHBondContact O-N 3.06Å; L235-E237 VanDerWaalsContact C-N 3.32Å; L235-L238 PolarHBondContact O-N 2.73Å; L235-A239 WeakPolarHBondContact O-CB 3.44Å; L235-A239 PolarHBondContact O-N 2.91Å
236	Q	98.1	Very high	95.7	Very high	107 Å²	107	64 Å²	64	50%	0.5	32%	0.321	S	S	.	.	H	α-helix	trans	-63.6	-39.1	170.1	-60.4	-179.1	10	0	0	111.4	E231 S232 W233 A239 N240	E231-Q236 PolarHBondContact O-NE2 3.33Å; S232-Q236 PolarHBondContact O-N 2.92Å; S232-Q236 VanDerWaalsContact O-N 3.12Å; W233-Q236 WeakPolarHBondContact O-CB 3.4Å; W233-Q236 PolarHBondContact O-N 2.86Å; Q236-A239 WeakPolarHBondContact O-CB 3.34Å; Q236-A239 PolarHBondContact O-N 2.04Å; Q236-N240 WeakPolarHBondContact O-CB 3.47Å; Q236-N240 VanDerWaalsContact O-CG 3.24Å; Q236-N240 PolarHBondContact O-N 2.93Å; Q236-N240 PolarHBondContact O-ND2 2.94Å
237	E	98.1	Very high	97.1	Very high	53 Å²	53	59.3 Å²	59.3	25%	0.248	30%	0.296	C	S	.	.	H	α-helix	trans	-60.1	-46.1	174.1	-166.4	-163.8	150.2	0	0	111.6	F191 W233 L235 N240 K241	F191-E237 HydrophobicContact CD1-CB 4.42Å; F191-E237 HydrophobicContact CE1-CG 4.33Å; W233-E237 WeakPolarHBondContact CZ3-OE2 3.29Å; W233-E237 PolarHBondContact O-N 3.41Å; L235-E237 VanDerWaalsContact C-N 3.32Å; E237-N240 PolarHBondContact O-N 3.32Å; E237-K241 WeakPolarHBondContact O-CG 3.46Å; E237-K241 PolarHBondContact O-N 3.09Å; E237-K241 WeakPolarHBondContact OE1-CE 3.5Å; E237-K241 IonicContact OE1-NZ 3.03Å
238	L	98.6	Very high	97.6	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-59.7	-46.2	174.1	176.3	56.1	0	0	0	111.7	L183 F191 F197 L202 V215 S234 L235 N240 K241 L242 F249	L183-L238 HydrophobicContact CD1-CD2 4.26Å; F191-L238 HydrophobicContact CB-CB 4.26Å; F191-L238 HydrophobicContact CB-CD2 4.47Å; F191-L238 HydrophobicContact CD1-CB 3.84Å; F191-L238 HydrophobicContact CD2-CB 4.08Å; F191-L238 HydrophobicContact CD2-CD1 3.97Å; F191-L238 HydrophobicContact CD2-CD2 4.07Å; F191-L238 HydrophobicContact CD2-CG 4.26Å; F191-L238 HydrophobicContact CE1-CB 4.19Å; F191-L238 HydrophobicContact CE2-CB 4.42Å; F191-L238 HydrophobicContact CE2-CD1 3.77Å; F191-L238 HydrophobicContact CG-CB 3.78Å; F191-L238 HydrophobicContact CG-CD2 4.33Å; F191-L238 HydrophobicContact CG-CG 4.43Å; F191-L238 HydrophobicContact CZ-CB 4.47Å; F191-L238 HydrophobicContact CZ-CD1 4.16Å; F197-L238 HydrophobicContact CE1-CD1 3.93Å; F197-L238 HydrophobicContact CE1-CD2 4.15Å; F197-L238 HydrophobicContact CZ-CD1 4.42Å; L202-L238 HydrophobicContact CD1-CD1 3.84Å; L202-L238 HydrophobicContact CD2-CD1 3.77Å; L202-L238 HydrophobicContact CG-CD1 4.47Å; V215-L238 HydrophobicContact CG2-CD2 3.7Å; S234-L238 PolarHBondContact O-N 2.94Å; S234-L238 VanDerWaalsContact O-N 3.15Å; L235-L238 PolarHBondContact O-N 2.73Å; L238-N240 VanDerWaalsContact C-N 3.31Å; L238-N240 PolarHBondContact O-N 3.2Å; L238-K241 PolarHBondContact O-N 3.19Å; L238-L242 HydrophobicContact CD1-CD1 3.88Å; L238-L242 HydrophobicContact CD1-CG 4.16Å; L238-L242 HydrophobicContact CG-CD1 3.96Å; L238-L242 WeakPolarHBondContact O-CG 3.42Å; L238-L242 PolarHBondContact O-N 3.41Å; L238-F249 HydrophobicContact CD2-CE2 4.09Å; L238-F249 HydrophobicContact CG-CE2 4.07Å
239	A	98.4	Very high	97.8	Very high	13 Å²	13	59.3 Å²	59.3	11%	0.107	30%	0.304	C	S	.	.	H	α-helix	trans	-57.7	-44	177.2	0	0	0	0	0	111.6	L235 Q236 L242 N243 F249	L235-A239 WeakPolarHBondContact O-CB 3.44Å; L235-A239 PolarHBondContact O-N 2.91Å; Q236-A239 WeakPolarHBondContact O-CB 3.34Å; Q236-A239 PolarHBondContact O-N 2.04Å; A239-L242 PolarHBondContact O-N 3.04Å; A239-N243 WeakPolarHBondContact O-CB 3.46Å; A239-N243 PolarHBondContact O-N 3.39Å; A239-N243 PolarHBondContact O-ND2 3.37Å; A239-F249 HydrophobicContact CB-CB 4.39Å; A239-F249 HydrophobicContact CB-CD1 3.5Å; A239-F249 HydrophobicContact CB-CD2 4.32Å; A239-F249 HydrophobicContact CB-CE1 3.7Å; A239-F249 HydrophobicContact CB-CE2 4.43Å; A239-F249 HydrophobicContact CB-CG 3.82Å; A239-F249 HydrophobicContact CB-CZ 4.15Å
240	N	98.2	Very high	97.9	Very high	105 Å²	105	63.2 Å²	63.2	56%	0.561	31%	0.312	S	S	*	.	H	α-helix	trans	-63.9	-42.7	177.8	-71.1	-24	0	0	0	112.5	Q236 E237 L238 L242 N243 S244	Q236-N240 WeakPolarHBondContact O-CB 3.47Å; Q236-N240 VanDerWaalsContact O-CG 3.24Å; Q236-N240 PolarHBondContact O-N 2.93Å; Q236-N240 PolarHBondContact O-ND2 2.94Å; E237-N240 PolarHBondContact O-N 3.32Å; L238-N240 VanDerWaalsContact C-N 3.31Å; L238-N240 PolarHBondContact O-N 3.2Å; N240-L242 VanDerWaalsContact C-N 3.33Å; N240-L242 PolarHBondContact O-N 3.06Å; N240-N243 PolarHBondContact O-N 3.41Å; N240-S244 PolarHBondContact O-N 2.94Å
241	K	98.2	Very high	97.9	Very high	69 Å²	69	63.4 Å²	63.4	30%	0.3	31%	0.313	S	S	.	.	H	α-helix	trans	-61.9	-41.7	175.5	-70.2	178.5	-166	-89.9	0	111	F191 E193 L202 E237 L238 S244	F191-K241 HydrophobicContact CE1-CD 4.1Å; F191-K241 HydrophobicContact CZ-CD 3.94Å; E193-K241 IonicContact OE2-NZ 3.67Å; E193-K241 PolarHBondContact OE2-NZ 3.49Å; L202-K241 HydrophobicContact CD2-CB 4.21Å; L202-K241 HydrophobicContact CD2-CD 3.97Å; E237-K241 WeakPolarHBondContact O-CG 3.46Å; E237-K241 PolarHBondContact O-N 3.09Å; E237-K241 WeakPolarHBondContact OE1-CE 3.5Å; E237-K241 IonicContact OE1-NZ 3.03Å; L238-K241 PolarHBondContact O-N 3.19Å; K241-S244 PolarHBondContact O-N 3.48Å; K241-S244 PolarHBondContact O-OG 3.48Å
242	L	98.4	Very high	98	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-68.5	-40.9	177.7	-71.7	165.6	0	0	0	112.9	L202 L213 L238 A239 N240 S244 V245 H246 I247 F249	L202-L242 HydrophobicContact CD1-CD2 3.61Å; L202-L242 HydrophobicContact CD1-CG 4.11Å; L213-L242 HydrophobicContact CB-CD1 4.11Å; L213-L242 HydrophobicContact CB-CD2 4.32Å; L213-L242 HydrophobicContact CD1-CD1 4.05Å; L213-L242 HydrophobicContact CD1-CD2 3.9Å; L213-L242 HydrophobicContact CD2-CD1 3.84Å; L213-L242 HydrophobicContact CG-CD1 4.21Å; L238-L242 HydrophobicContact CD1-CD1 3.88Å; L238-L242 HydrophobicContact CD1-CG 4.16Å; L238-L242 HydrophobicContact CG-CD1 3.96Å; L238-L242 WeakPolarHBondContact O-CG 3.42Å; L238-L242 PolarHBondContact O-N 3.41Å; A239-L242 PolarHBondContact O-N 3.04Å; N240-L242 VanDerWaalsContact C-N 3.33Å; N240-L242 PolarHBondContact O-N 3.06Å; L242-S244 VanDerWaalsContact C-N 3.29Å; L242-S244 PolarHBondContact O-N 2.95Å; L242-V245 CarbonylContact O-C 3.48Å; L242-V245 VanDerWaalsContact O-CG2 3.25Å; L242-V245 WeakPolarHBondContact O-CG2 3.37Å; L242-V245 PolarHBondContact O-N 3.12Å; L242-H246 PolarHBondContact O-N 3.32Å; L242-H246 VanDerWaalsContact O-N 3.14Å; L242-I247 HydrophobicContact CB-CB 4.39Å; L242-I247 HydrophobicContact CD2-CB 3.93Å; L242-I247 HydrophobicContact CD2-CD1 4.19Å; L242-I247 HydrophobicContact CD2-CG2 3.9Å; L242-I247 PolarHBondContact O-N 3.35Å; L242-F249 HydrophobicContact CD1-CB 4.26Å; L242-F249 HydrophobicContact CD1-CD2 3.49Å; L242-F249 VanDerWaalsContact CD1-CD2 3.49Å; L242-F249 HydrophobicContact CD1-CE2 4.25Å; L242-F249 HydrophobicContact CD1-CG 4.31Å
243	N	97.5	Very high	98	Very high	92 Å²	92	60.9 Å²	60.9	49%	0.492	30%	0.303	S	S	.	.	H	α-helix	trans	-58.9	-40.2	174.8	-73.5	-20.9	0	0	0	111.6	A239 N240 V245 H246	A239-N243 WeakPolarHBondContact O-CB 3.46Å; A239-N243 PolarHBondContact O-N 3.39Å; A239-N243 PolarHBondContact O-ND2 3.37Å; N240-N243 PolarHBondContact O-N 3.41Å; N243-V245 PolarHBondContact O-N 3.35Å; N243-V245 VanDerWaalsContact O-N 3.16Å; N243-H246 PolarHBondContact O-N 3.36Å; N243-H246 VanDerWaalsContact O-N 3.09Å
244	S	97.1	Very high	97.8	Very high	88 Å²	88	55.9 Å²	55.9	62%	0.615	29%	0.288	S	S	*	.	H	α-helix	trans	-62.6	-20.7	177.1	75.9	0	0	0	0	114.4	N240 K241 L242	N240-S244 PolarHBondContact O-N 2.94Å; K241-S244 PolarHBondContact O-N 3.48Å; K241-S244 PolarHBondContact O-OG 3.48Å; L242-S244 VanDerWaalsContact C-N 3.29Å; L242-S244 PolarHBondContact O-N 2.95Å
245	V	96.3	Very high	97.8	Very high	47 Å²	47	56.2 Å²	56.2	29%	0.285	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	15.9	177.7	-60.4	0	0	0	0	112.7	L242 N243 I247	L242-V245 CarbonylContact O-C 3.48Å; L242-V245 VanDerWaalsContact O-CG2 3.25Å; L242-V245 WeakPolarHBondContact O-CG2 3.37Å; L242-V245 PolarHBondContact O-N 3.12Å; N243-V245 PolarHBondContact O-N 3.35Å; N243-V245 VanDerWaalsContact O-N 3.16Å; V245-I247 VanDerWaalsContact C-N 3.26Å; V245-I247 HydrophobicContact CG2-CB 4.41Å; V245-I247 HydrophobicContact CG2-CD1 3.84Å; V245-I247 HydrophobicContact CG2-CG1 4.02Å; V245-I247 PolarHBondContact O-N 2.95Å
246	H	97.9	Very high	97.6	Very high	144 Å²	144	61.2 Å²	61.2	67%	0.667	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	58	32.9	176.9	-50	88.8	0	0	0	114	H207 L242 N243 P248	H207-H246 HydrophobicContact CB-CB 4.41Å; H207-H246 PolarHBondContact CD2-O 2.77Å; H207-H246 VanDerWaalsContact CD2-O 3.28Å; L242-H246 PolarHBondContact O-N 3.32Å; L242-H246 VanDerWaalsContact O-N 3.14Å; N243-H246 PolarHBondContact O-N 3.36Å; N243-H246 VanDerWaalsContact O-N 3.09Å; H246-P248 WeakPolarHBondContact O-CD 3Å
247	I	98.5	Very high	97.4	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.005	31%	0.309	C	S	.	.			trans	-99.2	114.8	171.7	-63.9	172.3	0	0	0	108	L205 H207 V210 L213 L242 V245 F249	L205-I247 HydrophobicContact CB-CD1 3.97Å; H207-I247 HydrophobicContact CB-CG1 4.09Å; V210-I247 HydrophobicContact CB-CD1 4.2Å; V210-I247 HydrophobicContact CG1-CD1 4.24Å; V210-I247 HydrophobicContact CG1-CG2 3.9Å; L213-I247 HydrophobicContact CB-CG2 3.97Å; L242-I247 HydrophobicContact CB-CB 4.39Å; L242-I247 HydrophobicContact CD2-CB 3.93Å; L242-I247 HydrophobicContact CD2-CD1 4.19Å; L242-I247 HydrophobicContact CD2-CG2 3.9Å; L242-I247 PolarHBondContact O-N 3.35Å; V245-I247 VanDerWaalsContact C-N 3.26Å; V245-I247 HydrophobicContact CG2-CB 4.41Å; V245-I247 HydrophobicContact CG2-CD1 3.84Å; V245-I247 HydrophobicContact CG2-CG1 4.02Å; V245-I247 PolarHBondContact O-N 2.95Å; I247-F249 PolarHBondContact O-N 3.38Å
248	P	98.4	Very high	97.2	Very high	63 Å²	63	57.4 Å²	57.4	41%	0.409	30%	0.298	S	S	.	.			trans	-53.4	135.5	172.8	-27.8	34.7	0	0	0	112.5	Q211 Q212 L213 H246	Q211-P248 WeakPolarHBondContact O-CD 3.31Å; Q211-P248 WeakPolarHBondContact O-CG 2.98Å; Q212-P248 HydrophobicContact CB-CB 4.34Å; Q212-P248 HydrophobicContact CG-CB 4.2Å; L213-P248 PolarHBondContact N-O 3.12Å; H246-P248 WeakPolarHBondContact O-CD 3Å
249	F	98.6	Very high	97	Very high	55 Å²	55	61.3 Å²	61.3	24%	0.241	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	135.2	-179	175.6	-102.1	0	0	0	111.4	L213 V215 L238 A239 L242 I247 C251	L213-F249 HydrophobicContact CD2-CD2 4.37Å; L213-F249 WeakPolarHBondContact O-CA 3.49Å; V215-F249 HydrophobicContact CB-CE2 4.4Å; V215-F249 HydrophobicContact CG2-CD2 4.39Å; V215-F249 HydrophobicContact CG2-CE2 3.41Å; V215-F249 VanDerWaalsContact CG2-CE2 3.41Å; V215-F249 HydrophobicContact CG2-CZ 3.93Å; L238-F249 HydrophobicContact CD2-CE2 4.09Å; L238-F249 HydrophobicContact CG-CE2 4.07Å; A239-F249 HydrophobicContact CB-CB 4.39Å; A239-F249 HydrophobicContact CB-CD1 3.5Å; A239-F249 HydrophobicContact CB-CD2 4.32Å; A239-F249 HydrophobicContact CB-CE1 3.7Å; A239-F249 HydrophobicContact CB-CE2 4.43Å; A239-F249 HydrophobicContact CB-CG 3.82Å; A239-F249 HydrophobicContact CB-CZ 4.15Å; L242-F249 HydrophobicContact CD1-CB 4.26Å; L242-F249 HydrophobicContact CD1-CD2 3.49Å; L242-F249 VanDerWaalsContact CD1-CD2 3.49Å; L242-F249 HydrophobicContact CD1-CE2 4.25Å; L242-F249 HydrophobicContact CD1-CG 4.31Å; I247-F249 PolarHBondContact O-N 3.38Å; F249-C251 HydrophobicContact CE1-CB 3.95Å; F249-C251 HydrophobicContact CZ-CB 3.84Å
250	R	98.6	Very high	96.7	Very high	141 Å²	141	64.8 Å²	64.8	53%	0.532	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	149.2	167	-178.6	177.2	176.8	-178.6	-0.9	109.1	L213 T214 V215 I252	L213-R250 PolarHBondContact O-N 3.03Å; T214-R250 CarbonylContact C-O 3.36Å; T214-R250 VanDerWaalsContact CA-O 3.3Å; T214-R250 WeakPolarHBondContact CA-O 3.26Å; T214-R250 HydrophobicContact CG2-CB 4.13Å; T214-R250 HydrophobicContact CG2-CG 4.1Å; V215-R250 PolarHBondContact N-O 2.81Å; R250-I252 HydrophobicContact CG-CG1 4.44Å
251	C	98.8	Very high	96.6	Very high	28 Å²	28	60.6 Å²	60.6	19%	0.189	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.6	171.1	-174.9	0	0	0	0	110.1	V215 C230 F249	V215-C251 HydrophobicContact CB-CB 4.02Å; V215-C251 CarbonylContact O-C 3.35Å; V215-C251 WeakPolarHBondContact O-CA 3.35Å; C230-C251 WeakPolarHBondContact CA-SG 3.22Å; C230-C251 HydrophobicContact CB-CB 3.56Å; C230-C251 WeakPolarHBondContact CB-SG 3.45Å; C230-C251 WeakPolarHBondContact SG-CB 3.27Å; C230-C251 CovalentContact SG-SG 2.03Å; C230-C251 PolarHBondContact SG-SG 3.19Å; F249-C251 HydrophobicContact CE1-CB 3.95Å; F249-C251 HydrophobicContact CZ-CB 3.84Å
252	I	98.4	Very high	96.4	Very high	50 Å²	50	58.6 Å²	58.6	26%	0.256	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	119.7	178.1	-50.5	174	0	0	0	107.9	T214 V215 L217 C230 R250 P255	T214-I252 HydrophobicContact CG2-CD1 3.93Å; T214-I252 HydrophobicContact CG2-CG1 4.17Å; V215-I252 PolarHBondContact O-N 2.67Å; L217-I252 PolarHBondContact N-O 3.12Å; C230-I252 VanDerWaalsContact SG-C 3.57Å; C230-I252 PolarHBondContact SG-N 3.44Å; R250-I252 HydrophobicContact CG-CG1 4.44Å; I252-P255 HydrophobicContact CB-CG 4.07Å; I252-P255 HydrophobicContact CG2-CB 4.34Å; I252-P255 HydrophobicContact CG2-CG 3.84Å
253	D	96.4	Very high	96.2	Very high	68 Å²	68	59 Å²	59	36%	0.364	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	133.3	171.4	-71.6	-67	0	0	0	110.7	L217 T229 C230	L217-D253 WeakPolarHBondContact CD2-OD1 3.46Å; T229-D253 VanDerWaalsContact CA-OD1 3.28Å; T229-D253 WeakPolarHBondContact CA-OD1 3.44Å; C230-D253 WeakPolarHBondContact CB-OD2 3.46Å; C230-D253 PolarHBondContact N-OD1 3.36Å; C230-D253 PolarHBondContact N-OD2 3.02Å; C230-D253 PolarHBondContact SG-OD2 2.04Å
254	D	93.9	Very high	95.9	Very high	49 Å²	49	60.7 Å²	60.7	26%	0.262	31%	0.305	S	S	.	.	S	Bend	trans	39	61.3	175	-65.3	-40	0	0	0	115.2	L217 H219 R227 L256	L217-D254 WeakPolarHBondContact O-CA 3.38Å; L217-D254 PolarHBondContact O-N 3.36Å; H219-D254 WeakPolarHBondContact CB-OD1 3.23Å; H219-D254 IonicContact CE1-OD1 3.46Å; H219-D254 IonicContact CE1-OD2 3.43Å; H219-D254 IonicContact CG-OD1 2.78Å; H219-D254 IonicContact CG-OD2 2.73Å; H219-D254 PolarHBondContact N-OD1 2.86Å; H219-D254 VanDerWaalsContact ND1-CG 3.25Å; H219-D254 IonicContact ND1-OD1 3.65Å; H219-D254 PolarHBondContact ND1-OD1 3.34Å; H219-D254 IonicContact ND1-OD2 2.71Å; H219-D254 PolarHBondContact ND1-OD2 2.74Å; H219-D254 VanDerWaalsContact ND1-OD2 3.1Å; R227-D254 IonicContact NH2-OD2 2.75Å; R227-D254 PolarHBondContact NH2-OD2 3.23Å; D254-L256 PolarHBondContact O-N 2.79Å
255	P	96.3	Very high	95.6	Very high	7 Å²	7	62.3 Å²	62.3	5%	0.045	30%	0.303	C	S	.	.			trans	-56.6	140.5	178.3	-19.2	30.5	0	0	0	111.7	K216 I252 E257 F258 R259	K216-P255 HydrophobicContact CB-CG 3.91Å; K216-P255 HydrophobicContact CD-CG 4.21Å; K216-P255 HydrophobicContact CG-CG 4.04Å; I252-P255 HydrophobicContact CB-CG 4.07Å; I252-P255 HydrophobicContact CG2-CB 4.34Å; I252-P255 HydrophobicContact CG2-CG 3.84Å; P255-E257 VanDerWaalsContact CB-CD 3.47Å; P255-E257 HydrophobicContact CB-CG 4.5Å; P255-E257 WeakPolarHBondContact CB-OE1 3.49Å; P255-E257 VanDerWaalsContact CB-OE2 3.31Å; P255-E257 WeakPolarHBondContact CB-OE2 3.41Å; P255-E257 PolarHBondContact O-N 2.71Å; P255-E257 VanDerWaalsContact O-N 3.16Å; P255-F258 HydrophobicContact CB-CD2 4.16Å; P255-F258 HydrophobicContact CG-CD2 4.31Å; P255-F258 PolarHBondContact O-N 2.8Å; P255-R259 PolarHBondContact O-N 2.91Å; P255-R259 VanDerWaalsContact O-N 3.12Å
256	L	94.1	Very high	95.3	Very high	106 Å²	106	63.3 Å²	63.3	56%	0.555	31%	0.307	S	S	*	.	H	α-helix	trans	-56.8	-36.7	-170.6	-71.4	177.9	0	0	0	112.9	D254 F258 R259 H260	D254-L256 PolarHBondContact O-N 2.79Å; L256-F258 VanDerWaalsContact C-N 3.3Å; L256-F258 PolarHBondContact O-N 2.9Å; L256-R259 PolarHBondContact O-N 3.46Å; L256-H260 VanDerWaalsContact O-CB 3.29Å; L256-H260 WeakPolarHBondContact O-CB 3.5Å; L256-H260 PolarHBondContact O-N 3.1Å; L256-H260 PolarHBondContact O-ND1 3.38Å
257	E	94.4	Very high	94.9	Very high	78 Å²	78	60.7 Å²	60.7	36%	0.364	30%	0.303	S	S	.	.	H	α-helix	trans	-60.8	-37.3	178.9	63.5	-84.3	-158.9	0	0	112.7	M112 K216 P255 Y261	M112-E257 HydrophobicContact CE-CB 4.12Å; M112-E257 HydrophobicContact CE-CG 4.11Å; K216-E257 IonicContact NZ-OE1 3.24Å; K216-E257 PolarHBondContact NZ-OE1 3.11Å; P255-E257 VanDerWaalsContact CB-CD 3.47Å; P255-E257 HydrophobicContact CB-CG 4.5Å; P255-E257 WeakPolarHBondContact CB-OE1 3.49Å; P255-E257 VanDerWaalsContact CB-OE2 3.31Å; P255-E257 WeakPolarHBondContact CB-OE2 3.41Å; P255-E257 PolarHBondContact O-N 2.71Å; P255-E257 VanDerWaalsContact O-N 3.16Å; E257-Y261 WeakPolarHBondContact O-CB 3.13Å; E257-Y261 PolarHBondContact O-N 3.28Å; E257-Y261 VanDerWaalsContact O-N 3.14Å
258	F	95.1	Very high	94.4	Very high	1 Å²	1	63.4 Å²	63.4	0%	0.004	33%	0.33	C	S	.	.	H	α-helix	trans	-78.5	-38.8	176.5	-72.1	-82.2	0	0	0	111.4	Y100 I108 M112 V182 K216 V218 P255 L256 Y261 Q262	Y100-F258 HydrophobicContact CE1-CZ 4.2Å; I108-F258 HydrophobicContact CG2-CD1 3.44Å; I108-F258 VanDerWaalsContact CG2-CD1 3.44Å; I108-F258 HydrophobicContact CG2-CE1 3.78Å; M112-F258 HydrophobicContact CE-CD1 4.2Å; M112-F258 HydrophobicContact CE-CE1 4.09Å; M112-F258 HydrophobicContact CE-CE2 4.39Å; M112-F258 HydrophobicContact CE-CG 4.46Å; M112-F258 HydrophobicContact CE-CZ 4.17Å; M112-F258 HydrophobicContact SD-CD1 3.22Å; M112-F258 WeakPolarHBondContact SD-CD1 3.34Å; M112-F258 HydrophobicContact SD-CE1 3.29Å; M112-F258 WeakPolarHBondContact SD-CE1 3.34Å; M112-F258 HydrophobicContact SD-CG 3.93Å; M112-F258 HydrophobicContact SD-CZ 3.98Å; V182-F258 HydrophobicContact CG1-CD1 4.29Å; V182-F258 HydrophobicContact CG1-CE1 3.8Å; V182-F258 HydrophobicContact CG1-CZ 4.05Å; V182-F258 HydrophobicContact CG2-CE1 4.03Å; V182-F258 HydrophobicContact CG2-CE2 4.41Å; V182-F258 HydrophobicContact CG2-CZ 3.6Å; K216-F258 HydrophobicContact CB-CE2 4.16Å; K216-F258 HydrophobicContact CD-CD2 4.15Å; K216-F258 HydrophobicContact CD-CE2 3.4Å; K216-F258 HydrophobicContact CD-CZ 4.25Å; K216-F258 HydrophobicContact CG-CE2 4.41Å; V218-F258 HydrophobicContact CG1-CB 4.18Å; V218-F258 HydrophobicContact CG2-CB 3.68Å; V218-F258 HydrophobicContact CG2-CD1 3.76Å; V218-F258 HydrophobicContact CG2-CD2 4.08Å; V218-F258 HydrophobicContact CG2-CE1 4.46Å; V218-F258 HydrophobicContact CG2-CG 3.53Å; P255-F258 HydrophobicContact CB-CD2 4.16Å; P255-F258 HydrophobicContact CG-CD2 4.31Å; P255-F258 PolarHBondContact O-N 2.8Å; L256-F258 VanDerWaalsContact C-N 3.3Å; L256-F258 PolarHBondContact O-N 2.9Å; F258-Y261 PolarHBondContact O-N 3.43Å; F258-Q262 VanDerWaalsContact O-CG 3.3Å; F258-Q262 WeakPolarHBondContact O-CG 3.39Å; F258-Q262 PolarHBondContact O-N 2.72Å
259	R	92.9	Very high	93.9	Very high	83 Å²	83	63 Å²	63	31%	0.313	32%	0.322	S	S	.	.	H	α-helix	trans	-62.3	-46.6	175.1	-176	177.1	175	-179.9	-1.4	111.4	P255 L256 Q262 C263 L271	P255-R259 PolarHBondContact O-N 2.91Å; P255-R259 VanDerWaalsContact O-N 3.12Å; L256-R259 PolarHBondContact O-N 3.46Å; R259-Q262 PolarHBondContact O-N 3.16Å; R259-C263 PolarHBondContact O-N 2.56Å; R259-C263 PolarHBondContact O-SG 2.7Å; R259-L271 PolarHBondContact NE-O 3.43Å; R259-L271 PolarHBondContact NH2-O 3.05Å
260	H	93.7	Very high	93.2	Very high	86 Å²	86	68.6 Å²	68.6	40%	0.398	35%	0.349	S	S	.	.	H	α-helix	trans	-62.9	-43.7	177.6	-67.5	169	0	0	0	111.6	L256 Q262 C263 I264 F274	L256-H260 VanDerWaalsContact O-CB 3.29Å; L256-H260 WeakPolarHBondContact O-CB 3.5Å; L256-H260 PolarHBondContact O-N 3.1Å; L256-H260 PolarHBondContact O-ND1 3.38Å; H260-Q262 VanDerWaalsContact C-N 3.35Å; H260-Q262 PolarHBondContact O-N 3.43Å; H260-C263 PolarHBondContact O-N 3.49Å; H260-C263 VanDerWaalsContact O-N 3.13Å; H260-I264 WeakPolarHBondContact O-CG1 3.47Å; H260-I264 PolarHBondContact O-N 3.15Å; H260-F274 AromaticContact CD2-CZ 3.75Å
261	Y	94.7	Very high	92.5	Very high	17 Å²	17	65.2 Å²	65.2	7%	0.067	34%	0.341	C	S	.	.	H	α-helix	trans	-56.3	-48.3	173.9	174	-94.2	0	0	0	111.7	I108 G111 M112 R115 L116 E257 F258 C263 I264 E265	I108-Y261 HydrophobicContact CG2-CD1 4.22Å; I108-Y261 HydrophobicContact CG2-CE1 4.5Å; G111-Y261 VanDerWaalsContact CA-OH 3.28Å; G111-Y261 WeakPolarHBondContact CA-OH 3.34Å; M112-Y261 HydrophobicContact CG-CD1 4.06Å; M112-Y261 HydrophobicContact CG-CD2 3.68Å; M112-Y261 HydrophobicContact CG-CE2 4.22Å; M112-Y261 HydrophobicContact CG-CG 3.6Å; M112-Y261 HydrophobicContact SD-CD1 4.4Å; M112-Y261 HydrophobicContact SD-CG 4.04Å; R115-Y261 PolarHBondContact NH1-OH 2.85Å; L116-Y261 HydrophobicContact CD1-CD2 3.73Å; L116-Y261 HydrophobicContact CD1-CE2 4.03Å; E257-Y261 WeakPolarHBondContact O-CB 3.13Å; E257-Y261 PolarHBondContact O-N 3.28Å; E257-Y261 VanDerWaalsContact O-N 3.14Å; F258-Y261 PolarHBondContact O-N 3.43Å; Y261-C263 VanDerWaalsContact C-N 3.26Å; Y261-C263 PolarHBondContact O-N 2.81Å; Y261-I264 PolarHBondContact O-N 3.36Å; Y261-I264 VanDerWaalsContact O-N 3.16Å; Y261-E265 HydrophobicContact CE1-CG 3.94Å; Y261-E265 HydrophobicContact CE2-CG 4.38Å; Y261-E265 PolarHBondContact O-N 2.84Å; Y261-E265 PolarHBondContact OH-OE1 3.48Å
262	Q	94.1	Very high	92.1	Very high	26 Å²	26	64.3 Å²	64.3	12%	0.121	34%	0.335	C	S	.	.	H	α-helix	trans	-61.6	-35	177.4	-68.7	-177	95.5	0	0	112.5	I108 H219 L221 F258 R259 H260 E265 N266	I108-Q262 HydrophobicContact CD1-CG 4.16Å; H219-Q262 PolarHBondContact O-NE2 3.43Å; H219-Q262 PolarHBondContact O-OE1 2.94Å; L221-Q262 HydrophobicContact CD1-CB 3.53Å; L221-Q262 HydrophobicContact CD2-CB 4.34Å; L221-Q262 HydrophobicContact CG-CB 3.85Å; F258-Q262 VanDerWaalsContact O-CG 3.3Å; F258-Q262 WeakPolarHBondContact O-CG 3.39Å; F258-Q262 PolarHBondContact O-N 2.72Å; R259-Q262 PolarHBondContact O-N 3.16Å; H260-Q262 VanDerWaalsContact C-N 3.35Å; H260-Q262 PolarHBondContact O-N 3.43Å; Q262-E265 PolarHBondContact O-N 3.32Å; Q262-N266 PolarHBondContact O-N 3.13Å
263	C	93.7	Very high	91.4	Very high	9 Å²	9	68 Å²	68	6%	0.061	35%	0.351	C	S	.	.	H	α-helix	trans	-72.8	-27.1	176.5	-68.8	0	0	0	0	114.2	R259 H260 Y261 N266 P267 C272 F274	R259-C263 PolarHBondContact O-N 2.56Å; R259-C263 PolarHBondContact O-SG 2.7Å; H260-C263 PolarHBondContact O-N 3.49Å; H260-C263 VanDerWaalsContact O-N 3.13Å; Y261-C263 VanDerWaalsContact C-N 3.26Å; Y261-C263 PolarHBondContact O-N 2.81Å; C263-N266 CarbonylContact O-C 3.46Å; C263-P267 WeakPolarHBondContact O-CA 3.01Å; C263-P267 WeakPolarHBondContact O-CB 3.36Å; C263-P267 WeakPolarHBondContact O-CD 3.22Å; C263-C272 WeakPolarHBondContact CA-SG 3.35Å; C263-C272 HydrophobicContact CB-CB 3.6Å; C263-C272 WeakPolarHBondContact CB-SG 3.45Å; C263-C272 WeakPolarHBondContact SG-CA 3.32Å; C263-C272 WeakPolarHBondContact SG-CB 3.18Å; C263-C272 CovalentContact SG-SG 2.03Å; C263-C272 PolarHBondContact SG-SG 3.26Å; C263-F274 HydrophobicContact CB-CE2 4.33Å; C263-F274 HydrophobicContact CB-CZ 4.35Å
264	I	92.3	Very high	90.4	Very high	127 Å²	127	69.8 Å²	69.8	65%	0.651	36%	0.356	S	S	*	.	H	α-helix	trans	-67.4	-42.6	171.3	-69.2	164.4	0	0	0	109.9	H260 Y261	H260-I264 WeakPolarHBondContact O-CG1 3.47Å; H260-I264 PolarHBondContact O-N 3.15Å; Y261-I264 PolarHBondContact O-N 3.36Å; Y261-I264 VanDerWaalsContact O-N 3.16Å
265	E	90.7	Very high	89	Confident	123 Å²	123	72.6 Å²	72.6	58%	0.575	38%	0.38	S	S	*	.	H	α-helix	trans	-68.7	-34.6	178.4	-66.6	-77.7	126.9	0	0	112.3	Y261 Q262	Y261-E265 HydrophobicContact CE1-CG 3.94Å; Y261-E265 HydrophobicContact CE2-CG 4.38Å; Y261-E265 PolarHBondContact O-N 2.84Å; Y261-E265 PolarHBondContact OH-OE1 3.48Å; Q262-E265 PolarHBondContact O-N 3.32Å
266	N	89.6	Confident	87.3	Confident	68 Å²	68	76.3 Å²	76.3	36%	0.364	41%	0.411	S	S	.	.			trans	-142.5	78.4	-179.5	-160	-29.4	0	0	0	112.7	Q262 C263 G268 K269	Q262-N266 PolarHBondContact O-N 3.13Å; C263-N266 CarbonylContact O-C 3.46Å; N266-G268 PolarHBondContact O-N 3.32Å; N266-K269 HydrophobicContact CB-CG 4.11Å; N266-K269 WeakPolarHBondContact ND2-CE 3.28Å; N266-K269 PolarHBondContact O-N 3.01Å
267	P	89.6	Confident	85.3	Confident	89 Å²	89	76.2 Å²	76.2	58%	0.578	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-18.2	-174.3	25.7	-34.8	0	0	0	113.7	C263 K269	C263-P267 WeakPolarHBondContact O-CA 3.01Å; C263-P267 WeakPolarHBondContact O-CB 3.36Å; C263-P267 WeakPolarHBondContact O-CD 3.22Å; P267-K269 PolarHBondContact O-N 3.37Å
268	G	88.7	Confident	83	Confident	57 Å²	57	78 Å²	78	59%	0.588	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-9.5	-179.1	0	0	0	0	0	114.7	N266	N266-G268 PolarHBondContact O-N 3.32Å
269	K	87.3	Confident	80.9	Confident	54 Å²	54	87 Å²	87	24%	0.235	47%	0.469	C	S	.	.	S	Bend	trans	-70	144.6	-177.6	-64.8	-63.3	-179.9	-175.1	0	112.1	L221 E222 N266 P267 L271 C272 Q273	L221-K269 HydrophobicContact CB-CB 4.22Å; L221-K269 HydrophobicContact CB-CG 4.09Å; L221-K269 HydrophobicContact CD1-CB 4.18Å; L221-K269 HydrophobicContact CD1-CG 4.17Å; E222-K269 VanDerWaalsContact CD-NZ 3.3Å; E222-K269 HydrophobicContact CG-CD 4.3Å; E222-K269 WeakPolarHBondContact OE1-CE 3.01Å; E222-K269 IonicContact OE1-NZ 2.73Å; E222-K269 PolarHBondContact OE1-NZ 3.23Å; N266-K269 HydrophobicContact CB-CG 4.11Å; N266-K269 WeakPolarHBondContact ND2-CE 3.28Å; N266-K269 PolarHBondContact O-N 3.01Å; P267-K269 PolarHBondContact O-N 3.37Å; K269-L271 VanDerWaalsContact C-N 3.26Å; K269-L271 PolarHBondContact O-N 3.49Å; K269-C272 HydrophobicContact CB-CB 4.38Å; K269-C272 CarbonylContact O-C 3.45Å; K269-C272 WeakPolarHBondContact O-CA 3.18Å; K269-C272 VanDerWaalsContact O-CB 3.32Å; K269-C272 WeakPolarHBondContact O-CB 3.42Å; K269-C272 PolarHBondContact O-N 3.19Å; K269-Q273 PolarHBondContact O-N 3.17Å
270	Q	84.9	Confident	78.8	Confident	174 Å²	174	86.1 Å²	86.1	81%	0.813	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-55.9	-40.7	179.6	-173.4	-179.1	9.4	0	0	112.2	C272 Q273	Q270-C272 PolarHBondContact O-N 2.96Å; Q270-Q273 WeakPolarHBondContact O-CB 3.3Å; Q270-Q273 PolarHBondContact O-N 2.94Å; Q270-Q273 VanDerWaalsContact O-N 3.11Å
271	L	83.6	Confident	76.8	Confident	69 Å²	69	87.7 Å²	87.7	36%	0.361	49%	0.488	S	S	.	.	G	3₁₀ helix	trans	-68.9	-9.7	176.9	-68.3	176.6	0	0	0	114	L221 R259 K269	L221-L271 HydrophobicContact CD2-CB 3.97Å; L221-L271 HydrophobicContact CD2-CD1 4.13Å; R259-L271 PolarHBondContact NE-O 3.43Å; R259-L271 PolarHBondContact NH2-O 3.05Å; K269-L271 VanDerWaalsContact C-N 3.26Å; K269-L271 PolarHBondContact O-N 3.49Å
272	C	89.4	Confident	74.9	Confident	10 Å²	10	90.9 Å²	90.9	7%	0.068	51%	0.509	C	S	.	.	G	3₁₀ helix	trans	-104.1	-4.8	175.1	-58.7	0	0	0	0	113.3	L221 C263 K269 Q270 F274	L221-C272 WeakPolarHBondContact CD1-SG 3.45Å; C263-C272 WeakPolarHBondContact CA-SG 3.35Å; C263-C272 HydrophobicContact CB-CB 3.6Å; C263-C272 WeakPolarHBondContact CB-SG 3.45Å; C263-C272 WeakPolarHBondContact SG-CA 3.32Å; C263-C272 WeakPolarHBondContact SG-CB 3.18Å; C263-C272 CovalentContact SG-SG 2.03Å; C263-C272 PolarHBondContact SG-SG 3.26Å; K269-C272 HydrophobicContact CB-CB 4.38Å; K269-C272 CarbonylContact O-C 3.45Å; K269-C272 WeakPolarHBondContact O-CA 3.18Å; K269-C272 VanDerWaalsContact O-CB 3.32Å; K269-C272 WeakPolarHBondContact O-CB 3.42Å; K269-C272 PolarHBondContact O-N 3.19Å; Q270-C272 PolarHBondContact O-N 2.96Å; C272-F274 WeakPolarHBondContact O-CD2 3.22Å; C272-F274 PolarHBondContact O-N 2.81Å
273	Q	84	Confident	72.9	Confident	127 Å²	127	94.1 Å²	94.1	59%	0.593	52%	0.524	S	S	*	.			trans	-73.8	72.2	163.3	-55.8	-62.2	-32	0	0	107.2	K269 Q270 S275	K269-Q273 PolarHBondContact O-N 3.17Å; Q270-Q273 WeakPolarHBondContact O-CB 3.3Å; Q270-Q273 PolarHBondContact O-N 2.94Å; Q270-Q273 VanDerWaalsContact O-N 3.11Å; Q273-S275 PolarHBondContact O-N 3.42Å
274	F	75.2	Confident	70.9	Confident	106 Å²	106	97.8 Å²	97.8	47%	0.465	55%	0.546	S	S	.	.			trans	-50	136.9	161.8	-55.1	-72.9	0	0	0	105.8	H260 C263 C272 A276	H260-F274 AromaticContact CD2-CZ 3.75Å; C263-F274 HydrophobicContact CB-CE2 4.33Å; C263-F274 HydrophobicContact CB-CZ 4.35Å; C272-F274 WeakPolarHBondContact O-CD2 3.22Å; C272-F274 PolarHBondContact O-N 2.81Å; F274-A276 PolarHBondContact O-N 3.06Å
275	S	64.5	Low	69	Low	108 Å²	108	96.8 Å²	96.8	76%	0.755	54%	0.541	S	S	*	.			trans	-46	111.9	169.9	50.9	0	0	0	0	105.5	Q273 S277	Q273-S275 PolarHBondContact O-N 3.42Å; S275-S277 VanDerWaalsContact C-N 3.28Å; S275-S277 PolarHBondContact O-N 3.13Å
276	A	59.9	Low	67.4	Low	85 Å²	85	96.1 Å²	96.1	70%	0.702	54%	0.541	S	S	*	.			trans	-48.3	115	161.6	0	0	0	0	0	101.2	F274 T278	F274-A276 PolarHBondContact O-N 3.06Å; A276-T278 VanDerWaalsContact C-N 3.3Å; A276-T278 WeakPolarHBondContact O-CA 3.29Å; A276-T278 PolarHBondContact O-N 3.07Å
277	S	52.3	Low	65.8	Low	104 Å²	104	98.1 Å²	98.1	73%	0.727	55%	0.55	S	S	*	*			trans	-42.2	114.9	171.1	43.9	0	0	0	0	102.5	S275 R279	S275-S277 VanDerWaalsContact C-N 3.28Å; S275-S277 PolarHBondContact O-N 3.13Å; S277-R279 PolarHBondContact O-N 2.64Å
278	T	47.5	Very low	64.2	Low	115 Å²	115	98.7 Å²	98.7	71%	0.706	55%	0.548	S	S	*	.			trans	-54.5	105.2	-173.9	-53.2	0	0	0	0	102.1	A276 S280	A276-T278 VanDerWaalsContact C-N 3.3Å; A276-T278 WeakPolarHBondContact O-CA 3.29Å; A276-T278 PolarHBondContact O-N 3.07Å; T278-S280 WeakPolarHBondContact O-CA 3.45Å; T278-S280 PolarHBondContact O-N 3.12Å
279	R	50.8	Low	62.8	Low	190 Å²	190	102.1 Å²	102.1	72%	0.717	55%	0.547	S	S	*	.			trans	-69.2	93	177	-157.8	-178.1	-173.6	165.1	6.9	98.4	S277 N281 E283	S277-R279 PolarHBondContact O-N 2.64Å; R279-N281 PolarHBondContact O-N 3.08Å; R279-E283 WeakPolarHBondContact CD-OE2 3.38Å; R279-E283 IonicContact CZ-OE2 2.79Å; R279-E283 IonicContact NE-OE2 3.21Å; R279-E283 PolarHBondContact NE-OE2 3.38Å; R279-E283 IonicContact NH2-OE2 3.5Å
280	S	48.2	Very low	61.3	Low	65 Å²	65	103.2 Å²	103.2	46%	0.455	56%	0.56	S	S	.	*			trans	-48.5	134.4	-157.5	177	0	0	0	0	105.9	T278 V282 E283	T278-S280 WeakPolarHBondContact O-CA 3.45Å; T278-S280 PolarHBondContact O-N 3.12Å; S280-V282 CarbonylContact O-C 3.56Å; S280-V282 WeakPolarHBondContact O-CA 3.46Å; S280-V282 PolarHBondContact O-N 3.36Å; S280-V282 WeakPolarHBondContact OG-CG2 3.3Å; S280-E283 PolarHBondContact O-N 3.32Å
281	N	50.8	Low	60.1	Low	119 Å²	119	99.8 Å²	99.8	64%	0.636	55%	0.546	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.2	-6.4	177.6	-73.5	-32.1	0	0	0	112.7	R279 E283 T284 L285	R279-N281 PolarHBondContact O-N 3.08Å; N281-E283 VanDerWaalsContact C-N 3.3Å; N281-E283 PolarHBondContact O-N 3.45Å; N281-T284 PolarHBondContact O-N 2.88Å; N281-L285 PolarHBondContact O-N 2.83Å
282	V	54.9	Low	59.2	Low	84 Å²	84	100.9 Å²	100.9	51%	0.509	56%	0.556	S	S	.	*	H	α-helix	trans	-47.6	-42.5	160.1	179.8	0	0	0	0	113.2	S280 L285 L286	S280-V282 CarbonylContact O-C 3.56Å; S280-V282 WeakPolarHBondContact O-CA 3.46Å; S280-V282 PolarHBondContact O-N 3.36Å; S280-V282 WeakPolarHBondContact OG-CG2 3.3Å; V282-L285 PolarHBondContact O-N 3.46Å; V282-L286 HydrophobicContact CG1-CD1 3.77Å; V282-L286 HydrophobicContact CG1-CG 4.36Å; V282-L286 WeakPolarHBondContact O-CB 3.31Å; V282-L286 WeakPolarHBondContact O-CG 3.46Å; V282-L286 PolarHBondContact O-N 3.05Å
283	E	52	Low	58	Low	94 Å²	94	104.3 Å²	104.3	44%	0.439	57%	0.573	S	S	.	*	H	α-helix	trans	-70.4	-38.2	179.2	-80.9	-172.9	177.7	0	0	112.4	R279 S280 N281 L286 I287	R279-E283 WeakPolarHBondContact CD-OE2 3.38Å; R279-E283 IonicContact CZ-OE2 2.79Å; R279-E283 IonicContact NE-OE2 3.21Å; R279-E283 PolarHBondContact NE-OE2 3.38Å; R279-E283 IonicContact NH2-OE2 3.5Å; S280-E283 PolarHBondContact O-N 3.32Å; N281-E283 VanDerWaalsContact C-N 3.3Å; N281-E283 PolarHBondContact O-N 3.45Å; E283-L286 PolarHBondContact O-N 3.26Å; E283-I287 VanDerWaalsContact O-CG1 3.3Å; E283-I287 WeakPolarHBondContact O-CG1 3.27Å; E283-I287 PolarHBondContact O-N 3.46Å; E283-I287 VanDerWaalsContact O-N 3.17Å
284	T	52.4	Low	57.1	Low	86 Å²	86	102.5 Å²	102.5	53%	0.528	57%	0.573	S	S	.	*	H	α-helix	trans	-70.8	-33.9	177.3	-36.2	0	0	0	0	111.8	N281 L288	N281-T284 PolarHBondContact O-N 2.88Å; T284-L288 PolarHBondContact O-N 3.25Å
285	L	52.4	Low	56.5	Low	105 Å²	105	103.1 Å²	103.1	55%	0.55	58%	0.581	S	S	.	*	H	α-helix	trans	-66.4	-41.1	171.9	-125.3	84.5	0	0	0	111.3	N281 V282 I287 L288 F289	N281-L285 PolarHBondContact O-N 2.83Å; V282-L285 PolarHBondContact O-N 3.46Å; L285-I287 VanDerWaalsContact C-N 3.28Å; L285-I287 PolarHBondContact O-N 3.38Å; L285-L288 PolarHBondContact O-N 2.94Å; L285-F289 HydrophobicContact CD2-CE2 4.11Å; L285-F289 HydrophobicContact CG-CE2 4.45Å; L285-F289 WeakPolarHBondContact O-CD2 2.99Å; L285-F289 PolarHBondContact O-N 3.09Å
286	L	57.5	Low	56.4	Low	109 Å²	109	101.6 Å²	101.6	57%	0.571	57%	0.567	S	S	*	*	H	α-helix	trans	-68.3	-21.6	-179.7	-75.7	169.9	0	0	0	113.9	V282 E283 P290	V282-L286 HydrophobicContact CG1-CD1 3.77Å; V282-L286 HydrophobicContact CG1-CG 4.36Å; V282-L286 WeakPolarHBondContact O-CB 3.31Å; V282-L286 WeakPolarHBondContact O-CG 3.46Å; V282-L286 PolarHBondContact O-N 3.05Å; E283-L286 PolarHBondContact O-N 3.26Å; L286-P290 WeakPolarHBondContact O-CD 3.49Å; L286-P290 WeakPolarHBondContact O-CG 3.34Å
287	I	56.9	Low	56.5	Low	110 Å²	110	103.7 Å²	103.7	56%	0.564	56%	0.56	S	S	*	*	H	α-helix	trans	-82.5	-27	174.4	-61.6	162.8	0	0	0	111.5	E283 L285 P290	E283-I287 VanDerWaalsContact O-CG1 3.3Å; E283-I287 WeakPolarHBondContact O-CG1 3.27Å; E283-I287 PolarHBondContact O-N 3.46Å; E283-I287 VanDerWaalsContact O-N 3.17Å; L285-I287 VanDerWaalsContact C-N 3.28Å; L285-I287 PolarHBondContact O-N 3.38Å; I287-P290 WeakPolarHBondContact O-CD 3.4Å
288	L	55.7	Low	56.9	Low	102 Å²	102	107.5 Å²	107.5	53%	0.534	56%	0.56	S	S	.	*	H	α-helix	trans	-79.1	-32.3	178.4	-70.8	170.3	0	0	0	113.1	T284 L285 L291 V292	T284-L288 PolarHBondContact O-N 3.25Å; L285-L288 PolarHBondContact O-N 2.94Å; L288-L291 PolarHBondContact O-N 3.41Å; L288-V292 WeakPolarHBondContact O-CG2 3.31Å; L288-V292 PolarHBondContact O-N 2.05Å
289	F	57.4	Low	57.7	Low	129 Å²	129	107 Å²	107	57%	0.566	56%	0.557	S	S	*	*	H	α-helix	trans	-59.3	-47.5	178.8	-93	-80.4	0	0	0	114.3	L285 L291 V292 I293	L285-F289 HydrophobicContact CD2-CE2 4.11Å; L285-F289 HydrophobicContact CG-CE2 4.45Å; L285-F289 WeakPolarHBondContact O-CD2 2.99Å; L285-F289 PolarHBondContact O-N 3.09Å; F289-L291 PolarHBondContact O-N 3.33Å; F289-V292 PolarHBondContact O-N 3.49Å; F289-I293 WeakPolarHBondContact O-CD1 3.27Å; F289-I293 VanDerWaalsContact O-CG1 3.23Å; F289-I293 WeakPolarHBondContact O-CG1 3.29Å; F289-I293 PolarHBondContact O-N 3.14Å; F289-I293 VanDerWaalsContact O-N 3.14Å
290	P	57.1	Low	58.3	Low	76 Å²	76	101.9 Å²	101.9	49%	0.494	55%	0.55	S	S	.	*	H	α-helix	trans	-67	-33.6	178.1	-4.6	8.9	0	0	0	113.2	L286 I287 I293 C294	L286-P290 WeakPolarHBondContact O-CD 3.49Å; L286-P290 WeakPolarHBondContact O-CG 3.34Å; I287-P290 WeakPolarHBondContact O-CD 3.4Å; P290-I293 PolarHBondContact O-N 3.42Å; P290-C294 WeakPolarHBondContact O-CB 3.08Å; P290-C294 PolarHBondContact O-N 3.28Å
291	L	60.5	Low	58.7	Low	102 Å²	102	106.7 Å²	106.7	53%	0.534	57%	0.568	S	S	.	*	H	α-helix	trans	-65.8	-40.7	178.7	-93.6	158.7	0	0	0	111.9	L288 F289 L295	L288-L291 PolarHBondContact O-N 3.41Å; F289-L291 PolarHBondContact O-N 3.33Å; L291-L295 WeakPolarHBondContact O-CG 3.5Å; L291-L295 PolarHBondContact O-N 3.32Å; L291-L295 VanDerWaalsContact O-N 3.14Å
292	V	64.4	Low	58.8	Low	92 Å²	92	110.3 Å²	110.3	56%	0.558	59%	0.587	S	S	*	*	H	α-helix	trans	-67.2	-42.5	175.1	177.1	0	0	0	0	110.8	L288 F289 C294 L295 T296	L288-V292 WeakPolarHBondContact O-CG2 3.31Å; L288-V292 PolarHBondContact O-N 2.05Å; F289-V292 PolarHBondContact O-N 3.49Å; V292-C294 PolarHBondContact O-N 3.03Å; V292-L295 PolarHBondContact O-N 2.77Å; V292-T296 WeakPolarHBondContact O-CG2 3.38Å; V292-T296 PolarHBondContact O-N 2.7Å; V292-T296 VanDerWaalsContact O-N 3.07Å; V292-T296 PolarHBondContact O-OG1 3.29Å
293	I	63.6	Low	59	Low	83 Å²	83	111.6 Å²	111.6	43%	0.426	59%	0.591	S	S	.	*	H	α-helix	trans	-62.6	-45	178.1	-67.4	168.4	0	0	0	110.8	F289 P290 L295 T296 F297	F289-I293 WeakPolarHBondContact O-CD1 3.27Å; F289-I293 VanDerWaalsContact O-CG1 3.23Å; F289-I293 WeakPolarHBondContact O-CG1 3.29Å; F289-I293 PolarHBondContact O-N 3.14Å; F289-I293 VanDerWaalsContact O-N 3.14Å; P290-I293 PolarHBondContact O-N 3.42Å; I293-L295 VanDerWaalsContact C-N 3.35Å; I293-L295 PolarHBondContact O-N 3.41Å; I293-T296 PolarHBondContact O-N 3.23Å; I293-T296 PolarHBondContact O-OG1 2.94Å; I293-F297 HydrophobicContact CG2-CD2 3.56Å; I293-F297 HydrophobicContact CG2-CE2 3.3Å; I293-F297 WeakPolarHBondContact O-CD2 3.4Å; I293-F297 PolarHBondContact O-N 2.68Å; I293-F297 VanDerWaalsContact O-N 3.11Å
294	C	64	Low	59.3	Low	88 Å²	88	112.5 Å²	112.5	60%	0.595	60%	0.599	S	S	*	*	H	α-helix	trans	-59.5	-42.4	176.7	-113.6	0	0	0	0	112.6	P290 V292 F297 Y298	P290-C294 WeakPolarHBondContact O-CB 3.08Å; P290-C294 PolarHBondContact O-N 3.28Å; V292-C294 PolarHBondContact O-N 3.03Å; C294-F297 PolarHBondContact O-N 3.48Å; C294-Y298 PolarHBondContact O-N 3.11Å; C294-Y298 VanDerWaalsContact O-N 3.1Å
295	L	63.1	Low	59.7	Low	120 Å²	120	114 Å²	114	63%	0.628	60%	0.602	S	S	*	*	H	α-helix	trans	-67.4	-37	179.1	-72.1	168.6	0	0	0	112.1	L291 V292 I293 Y298 T299	L291-L295 WeakPolarHBondContact O-CG 3.5Å; L291-L295 PolarHBondContact O-N 3.32Å; L291-L295 VanDerWaalsContact O-N 3.14Å; V292-L295 PolarHBondContact O-N 2.77Å; I293-L295 VanDerWaalsContact C-N 3.35Å; I293-L295 PolarHBondContact O-N 3.41Å; L295-Y298 PolarHBondContact O-N 3.22Å; L295-T299 PolarHBondContact O-N 3.08Å; L295-T299 PolarHBondContact O-OG1 3.32Å
296	T	63.9	Low	60.2	Low	75 Å²	75	114.5 Å²	114.5	46%	0.46	61%	0.606	S	S	.	*	H	α-helix	trans	-68.6	-36.3	177	55.2	0	0	0	0	113.4	V292 I293 T299 S300	V292-T296 WeakPolarHBondContact O-CG2 3.38Å; V292-T296 PolarHBondContact O-N 2.7Å; V292-T296 VanDerWaalsContact O-N 3.07Å; V292-T296 PolarHBondContact O-OG1 3.29Å; I293-T296 PolarHBondContact O-N 3.23Å; I293-T296 PolarHBondContact O-OG1 2.94Å; T296-T299 PolarHBondContact O-N 3.48Å; T296-T299 PolarHBondContact O-OG1 2.89Å; T296-S300 PolarHBondContact O-N 3.1Å
297	F	60.8	Low	60.3	Low	129 Å²	129	114.9 Å²	114.9	57%	0.566	61%	0.608	S	S	*	*	H	α-helix	trans	-72.9	-32.5	176.3	-76.7	-63.5	0	0	0	112.8	I293 C294 T299 S300 M301	I293-F297 HydrophobicContact CG2-CD2 3.56Å; I293-F297 HydrophobicContact CG2-CE2 3.3Å; I293-F297 WeakPolarHBondContact O-CD2 3.4Å; I293-F297 PolarHBondContact O-N 2.68Å; I293-F297 VanDerWaalsContact O-N 3.11Å; C294-F297 PolarHBondContact O-N 3.48Å; F297-T299 VanDerWaalsContact C-N 3.28Å; F297-T299 PolarHBondContact O-N 3.3Å; F297-S300 PolarHBondContact O-N 3.35Å; F297-S300 PolarHBondContact O-OG 2.91Å; F297-M301 PolarHBondContact O-N 2.69Å
298	Y	61.7	Low	60.5	Low	184 Å²	184	115.2 Å²	115.2	72%	0.722	61%	0.611	S	S	*	*	H	α-helix	trans	-66.1	-32.7	175.5	-130	-90.3	0	0	0	112.2	C294 L295	C294-Y298 PolarHBondContact O-N 3.11Å; C294-Y298 VanDerWaalsContact O-N 3.1Å; L295-Y298 PolarHBondContact O-N 3.22Å
299	T	63.3	Low	60.9	Low	106 Å²	106	116.1 Å²	116.1	65%	0.65	62%	0.616	S	S	*	*	H	α-helix	trans	-78.6	-17.7	175.8	49.1	0	0	0	0	114.4	L295 T296 F297	L295-T299 PolarHBondContact O-N 3.08Å; L295-T299 PolarHBondContact O-OG1 3.32Å; T296-T299 PolarHBondContact O-N 3.48Å; T296-T299 PolarHBondContact O-OG1 2.89Å; F297-T299 VanDerWaalsContact C-N 3.28Å; F297-T299 PolarHBondContact O-N 3.3Å
300	S	63.1	Low	61.2	Low	82 Å²	82	115.2 Å²	115.2	57%	0.573	62%	0.62	S	S	*	*	H	α-helix	trans	-93.4	-6.5	179.1	73.7	0	0	0	0	114.2	T296 F297	T296-S300 PolarHBondContact O-N 3.1Å; F297-S300 PolarHBondContact O-N 3.35Å; F297-S300 PolarHBondContact O-OG 2.91Å
301	M	57.7	Low	61.5	Low	166 Å²	166	118.4 Å²	118.4	82%	0.818	63%	0.631	S	S	*	*			trans	-106.5	1.8	179.7	-75	-167.6	74.5	0	0	114.3	F297	F297-M301 PolarHBondContact O-N 2.69Å
302	N	51.8	Low	61.6	Low	194 Å²	194	119.9 Å²	119.9	100%	1.037	64%	0.639	S	S	*	*			trans	-111.5	0	165.5	-80.2	-24.7	0	0	0	109.5

Retrieved 302 of 302 residues in 473.9 ms (Link to these results)

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