A0A5K4F549_SCHMA Loading...

tRNA (guanine(26)-N(2))-dimethyltransferase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F549, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 598 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	43	Very low	41.3	Very low	211 Å²	211	147.8 Å²	147.8	100%	1.039	75%	0.745	S	S	*	*				0	-19.5	0	-79.7	-174	88.5	0	0	114.5	L3	M1-L3 PolarHBondContact O-N 2.77Å
2	T	45.2	Very low	40.8	Very low	126 Å²	126	147.8 Å²	147.8	77%	0.773	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.1	-15.9	-173	-6.9	0	0	0	0	115.6
3	L	44.5	Very low	40.3	Very low	154 Å²	154	149.5 Å²	149.5	81%	0.806	74%	0.744	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.3	-25.6	178.4	-118.5	87.3	0	0	0	114	M1 L5	M1-L3 PolarHBondContact O-N 2.77Å; L3-L5 VanDerWaalsContact C-N 3.33Å; L3-L5 PolarHBondContact O-N 2.85Å
4	V	47.2	Very low	39.9	Very low	107 Å²	107	149.6 Å²	149.6	65%	0.648	75%	0.747	S	S	*	*	H	α-helix	trans	-75	-25.1	-176	-178.8	0	0	0	0	111.9	K6	V4-K6 PolarHBondContact O-N 2.86Å
5	L	43	Very low	39.4	Very low	122 Å²	122	144.8 Å²	144.8	64%	0.639	73%	0.733	S	S	*	*	H	α-helix	trans	-75.3	-17.4	179.2	-89.1	131.5	0	0	0	114.5	L3	L3-L5 VanDerWaalsContact C-N 3.33Å; L3-L5 PolarHBondContact O-N 2.85Å
6	K	41.1	Very low	39	Very low	173 Å²	173	141.7 Å²	141.7	75%	0.752	73%	0.727	S	S	*	*	H	α-helix	trans	-80.2	-27.9	178.2	-81.3	-174.1	175.2	-179.2	0	113.1	V4	V4-K6 PolarHBondContact O-N 2.86Å
7	T	41.4	Very low	38.5	Very low	95 Å²	95	142 Å²	142	58%	0.583	73%	0.731	S	S	*	*	H	α-helix	trans	-78.4	-28.8	-178.7	-28.9	0	0	0	0	112.5	R9 L10	T7-R9 VanDerWaalsContact C-N 3.28Å; T7-R9 PolarHBondContact O-N 3.36Å; T7-L10 PolarHBondContact O-N 3.12Å
8	V	40.4	Very low	38.5	Very low	97 Å²	97	140.3 Å²	140.3	59%	0.588	73%	0.727	S	S	*	*	H	α-helix	trans	-70.6	-23.9	178.2	-179.1	0	0	0	0	112.3
9	R	36.2	Very low	38.4	Very low	213 Å²	213	144.7 Å²	144.7	80%	0.804	73%	0.734	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	-11.7	178.4	-75.8	-171.6	177.6	-175	-0	114.9	T7	T7-R9 VanDerWaalsContact C-N 3.28Å; T7-R9 PolarHBondContact O-N 3.36Å
10	L	37	Very low	38.4	Very low	151 Å²	151	146.6 Å²	146.6	79%	0.791	74%	0.742	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-11.8	179.4	-129	82.5	0	0	0	114	T7	T7-L10 PolarHBondContact O-N 3.12Å
11	F	35.3	Very low	39.2	Very low	177 Å²	177	141.7 Å²	141.7	78%	0.776	72%	0.724	S	S	*	*	S	Bend	trans	-102	2.5	-178.6	-83.6	-79.6	0	0	0	115.2
12	Q	35	Very low	39.9	Very low	148 Å²	148	135.7 Å²	135.7	69%	0.692	70%	0.702	S	S	*	*	S	Bend	trans	-97.7	8.2	-176.8	-88.3	-174.3	-27.8	0	0	116.3
13	H	34.4	Very low	40.9	Very low	169 Å²	169	133.4 Å²	133.4	78%	0.782	69%	0.688	S	S	*	*			trans	-134.8	29.7	177.6	-96.5	-67.8	0	0	0	116	S15	H13-S15 PolarHBondContact ND1-OG 3.45Å; H13-S15 PolarHBondContact O-N 3.36Å
14	I	34.4	Very low	42.9	Very low	152 Å²	152	128.6 Å²	128.6	78%	0.779	67%	0.668	S	S	*	*			trans	-88	72.1	143.9	-52.6	177.5	0	0	0	105.7	C16	I14-C16 PolarHBondContact O-N 3.04Å
15	S	32.9	Very low	45	Very low	77 Å²	77	128.2 Å²	128.2	54%	0.538	66%	0.657	S	S	.	*			trans	-59.6	88.1	154.8	-44	0	0	0	0	104.5	H13 N17	H13-S15 PolarHBondContact ND1-OG 3.45Å; H13-S15 PolarHBondContact O-N 3.36Å; S15-N17 PolarHBondContact O-N 3.43Å
16	C	32.5	Very low	47.4	Very low	95 Å²	95	124.7 Å²	124.7	64%	0.642	64%	0.639	S	S	*	*			trans	-56.5	102	165.7	-174	0	0	0	0	103.5	I14 V18	I14-C16 PolarHBondContact O-N 3.04Å; C16-V18 HydrophobicContact CB-CG2 4.29Å; C16-V18 PolarHBondContact O-N 2.99Å
17	N	31.8	Very low	49.9	Very low	147 Å²	147	123.5 Å²	123.5	79%	0.786	63%	0.634	S	S	*	*			trans	-60.3	76.7	160	-84.7	-31.6	0	0	0	105.4	S15 R19	S15-N17 PolarHBondContact O-N 3.43Å; N17-R19 PolarHBondContact O-N 3.18Å
18	V	38	Very low	52.4	Low	111 Å²	111	119.1 Å²	119.1	67%	0.673	61%	0.607	S	S	*	*			trans	-63.7	85.2	152.3	-176.4	0	0	0	0	102.2	C16 M20	C16-V18 HydrophobicContact CB-CG2 4.29Å; C16-V18 PolarHBondContact O-N 2.99Å; V18-M20 VanDerWaalsContact C-N 3.28Å; V18-M20 PolarHBondContact O-N 3.3Å
19	R	36	Very low	55	Low	224 Å²	224	115.4 Å²	115.4	85%	0.845	59%	0.588	S	S	*	*			trans	-48.1	109.8	158.8	-75.4	-177.5	174.2	-173.9	-1.9	103.5	N17 A21	N17-R19 PolarHBondContact O-N 3.18Å; R19-A21 VanDerWaalsContact C-N 3.26Å; R19-A21 PolarHBondContact O-N 2.86Å
20	M	39.6	Very low	57.8	Low	183 Å²	183	107.9 Å²	107.9	90%	0.901	57%	0.567	S	S	*	*			trans	-50.6	104.8	165.3	-76.8	-102.6	-137.7	0	0	104.2	V18 S22	V18-M20 VanDerWaalsContact C-N 3.28Å; V18-M20 PolarHBondContact O-N 3.3Å; M20-S22 PolarHBondContact O-N 3.01Å; M20-S22 VanDerWaalsContact O-N 3.11Å
21	A	54	Low	60.6	Low	43 Å²	43	100.7 Å²	100.7	36%	0.355	53%	0.529	S	S	.	.			trans	-53.4	124.5	178.2	0	0	0	0	0	105.8	R19 T23	R19-A21 VanDerWaalsContact C-N 3.26Å; R19-A21 PolarHBondContact O-N 2.86Å; A21-T23 PolarHBondContact O-N 3.47Å; A21-T23 PolarHBondContact O-OG1 3.33Å
22	S	57.9	Low	63.5	Low	85 Å²	85	95.8 Å²	95.8	59%	0.594	51%	0.509	S	S	*	.			trans	-58.1	112.5	-179.7	56.5	0	0	0	0	106.6	M20 S24	M20-S22 PolarHBondContact O-N 3.01Å; M20-S22 VanDerWaalsContact O-N 3.11Å; S22-S24 PolarHBondContact O-N 3.45Å
23	T	66.4	Low	66.3	Low	78 Å²	78	88.8 Å²	88.8	48%	0.479	48%	0.476	S	S	.	.			trans	-79.5	99.4	-173	-59.8	0	0	0	0	107	A21 F25 M34	A21-T23 PolarHBondContact O-N 3.47Å; A21-T23 PolarHBondContact O-OG1 3.33Å; T23-F25 HydrophobicContact CG2-CE2 3.97Å; T23-F25 HydrophobicContact CG2-CZ 4.43Å; T23-M34 HydrophobicContact CG2-CG 3.21Å; T23-M34 HydrophobicContact CG2-SD 3.32Å; T23-M34 WeakPolarHBondContact CG2-SD 3.34Å
24	S	86.6	Confident	69.1	Low	54 Å²	54	82.1 Å²	82.1	38%	0.378	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	136.9	175	73.2	0	0	0	0	109.8	S22 L35	S22-S24 PolarHBondContact O-N 3.45Å; S24-L35 PolarHBondContact O-N 3.05Å; S24-L35 PolarHBondContact OG-O 3.34Å
25	F	92.2	Very high	71.7	Confident	98 Å²	98	75.2 Å²	75.2	43%	0.43	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	142.5	169.3	-75.2	-93.2	0	0	0	109	T23 E32 V33 M34 H130	T23-F25 HydrophobicContact CG2-CE2 3.97Å; T23-F25 HydrophobicContact CG2-CZ 4.43Å; F25-E32 HydrophobicContact CB-CG 4.2Å; F25-E32 HydrophobicContact CD1-CG 4.04Å; F25-V33 WeakPolarHBondContact CA-O 3.31Å; F25-M34 HydrophobicContact CD1-CB 4.31Å; F25-M34 HydrophobicContact CE1-CB 3.92Å; F25-M34 HydrophobicContact CE1-CG 4.35Å; F25-M34 HydrophobicContact CZ-CB 4.32Å; F25-M34 HydrophobicContact CZ-CG 4.27Å; F25-H130 AromaticContact CD1-NE2 3.99Å; F25-H130 AromaticContact CE1-CE1 3.53Å; F25-H130 AromaticContact CE1-ND1 3.88Å; F25-H130 AromaticContact CE1-NE2 3.68Å
26	I	92.8	Very high	74.2	Confident	48 Å²	48	73.4 Å²	73.4	25%	0.246	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	136	173.3	-45.4	-166.3	0	0	0	108.5	E32 V33 L35 Y41	I26-E32 CarbonylContact O-C 3.58Å; I26-E32 WeakPolarHBondContact O-CA 2.91Å; I26-V33 PolarHBondContact N-O 3.33Å; I26-V33 PolarHBondContact O-N 2.99Å; I26-L35 HydrophobicContact CB-CD1 4.34Å; I26-L35 HydrophobicContact CD1-CD1 3.25Å; I26-L35 HydrophobicContact CD1-CG 4.43Å; I26-L35 HydrophobicContact CG1-CD1 3.66Å; I26-L35 HydrophobicContact CG1-CG 4.44Å; I26-Y41 HydrophobicContact CD1-CD1 3.64Å; I26-Y41 HydrophobicContact CD1-CE1 3.3Å; I26-Y41 HydrophobicContact CD1-CE2 4.5Å; I26-Y41 HydrophobicContact CD1-CG 4.38Å
27	K	93.9	Very high	76.2	Confident	149 Å²	149	74.2 Å²	74.2	65%	0.648	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	127.4	176.5	-171.1	172.9	-177	172.6	0	110.4	A31	K27-A31 CarbonylContact C-O 3.41Å; K27-A31 VanDerWaalsContact CA-O 3.31Å; K27-A31 WeakPolarHBondContact CA-O 3.31Å
28	E	93.8	Very high	78.1	Confident	3 Å²	3	70.7 Å²	70.7	1%	0.014	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	125.5	170.3	-74.9	-172.4	-159.2	0	0	109.6	C30 A31 Y41 E46 R49 I96 R100	E28-C30 PolarHBondContact O-N 3.05Å; E28-A31 PolarHBondContact N-O 3.47Å; E28-A31 PolarHBondContact O-N 3.47Å; E28-Y41 VanDerWaalsContact OE1-CE2 3.31Å; E28-Y41 WeakPolarHBondContact OE1-CE2 3.44Å; E28-Y41 PolarHBondContact OE1-OH 3.37Å; E28-E46 HydrophobicContact CG-CG 4.26Å; E28-R49 VanDerWaalsContact CD-NE 3.27Å; E28-R49 IonicContact OE1-CZ 3.41Å; E28-R49 IonicContact OE1-NE 3.96Å; E28-R49 PolarHBondContact OE1-NE 3.23Å; E28-R49 IonicContact OE1-NH2 3.37Å; E28-R49 PolarHBondContact OE1-NH2 3.32Å; E28-R49 WeakPolarHBondContact OE2-CD 3.46Å; E28-R49 IonicContact OE2-CZ 3.47Å; E28-R49 IonicContact OE2-NE 3.85Å; E28-R49 PolarHBondContact OE2-NE 3.36Å; E28-R49 IonicContact OE2-NH2 2.69Å; E28-I96 HydrophobicContact CB-CD1 4.21Å; E28-I96 HydrophobicContact CG-CD1 4.06Å; E28-R100 IonicContact OE2-NH1 2.96Å; E28-R100 PolarHBondContact OE2-NH1 3.41Å
29	G	93.9	Very high	79.8	Confident	18 Å²	18	67.9 Å²	67.9	19%	0.186	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.6	-123.9	-173	0	0	0	0	0	111.3	N391	G29-N391 WeakPolarHBondContact CA-O 3.34Å
30	C	94.8	Very high	81.7	Confident	55 Å²	55	59.7 Å²	59.7	37%	0.372	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-13.9	177.6	-68.6	0	0	0	0	113.5	E28 L103 E104 N391	E28-C30 PolarHBondContact O-N 3.05Å; C30-L103 HydrophobicContact CB-CB 3.91Å; C30-L103 HydrophobicContact CB-CD1 4.03Å; C30-L103 WeakPolarHBondContact O-CD1 3.26Å; C30-E104 HydrophobicContact CB-CG 3.83Å; C30-E104 PolarHBondContact N-OE1 3.22Å; C30-N391 PolarHBondContact SG-ND2 3.38Å
31	A	95.7	Very high	83.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	137.4	-176	0	0	0	0	0	111.9	K27 E28 V99 R100 L103	K27-A31 CarbonylContact C-O 3.41Å; K27-A31 VanDerWaalsContact CA-O 3.31Å; K27-A31 WeakPolarHBondContact CA-O 3.31Å; E28-A31 PolarHBondContact N-O 3.47Å; E28-A31 PolarHBondContact O-N 3.47Å; A31-V99 HydrophobicContact CB-CB 4.32Å; A31-V99 HydrophobicContact CB-CG1 3.62Å; A31-R100 HydrophobicContact CB-CB 4.5Å; A31-R100 HydrophobicContact CB-CG 3.35Å; A31-L103 HydrophobicContact CB-CD1 4.12Å
32	E	96.2	Very high	85.4	Confident	75 Å²	75	50.5 Å²	50.5	35%	0.35	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	117.2	166.1	-173.9	179.5	-103.7	0	0	108.6	F25 I26 H130 N131	F25-E32 HydrophobicContact CB-CG 4.2Å; F25-E32 HydrophobicContact CD1-CG 4.04Å; I26-E32 CarbonylContact O-C 3.58Å; I26-E32 WeakPolarHBondContact O-CA 2.91Å; E32-H130 PolarHBondContact O-CD2 3.28Å; E32-H130 IonicContact OE2-CD2 2.98Å; E32-H130 IonicContact OE2-CE1 3.96Å; E32-H130 IonicContact OE2-NE2 3.82Å; E32-H130 PolarHBondContact OE2-NE2 2.88Å; E32-N131 PolarHBondContact N-OD1 3.03Å; E32-N131 PolarHBondContact O-ND2 2.81Å; E32-N131 PolarHBondContact O-OD1 3.03Å
33	V	95.2	Very high	86.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	140.8	-175.4	-64.3	0	0	0	0	111.5	F25 I26 L35 I96 N127	F25-V33 WeakPolarHBondContact CA-O 3.31Å; I26-V33 PolarHBondContact N-O 3.33Å; I26-V33 PolarHBondContact O-N 2.99Å; V33-L35 HydrophobicContact CG2-CG 4.31Å; V33-I96 HydrophobicContact CG1-CB 4.15Å; V33-I96 HydrophobicContact CG1-CG1 4.04Å; V33-I96 HydrophobicContact CG2-CB 4.17Å; V33-I96 HydrophobicContact CG2-CD1 3.74Å; V33-I96 HydrophobicContact CG2-CG1 3.93Å; V33-N127 HydrophobicContact CB-CB 4.49Å; V33-N127 HydrophobicContact CG1-CB 4.15Å
34	M	93.6	Very high	87.9	Confident	29 Å²	29	45 Å²	45	14%	0.143	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	132.2	169	-166.8	179.1	66	0	0	109.4	T23 F25 P36 L123 K126 N127	T23-M34 HydrophobicContact CG2-CG 3.21Å; T23-M34 HydrophobicContact CG2-SD 3.32Å; T23-M34 WeakPolarHBondContact CG2-SD 3.34Å; F25-M34 HydrophobicContact CD1-CB 4.31Å; F25-M34 HydrophobicContact CE1-CB 3.92Å; F25-M34 HydrophobicContact CE1-CG 4.35Å; F25-M34 HydrophobicContact CZ-CB 4.32Å; F25-M34 HydrophobicContact CZ-CG 4.27Å; M34-P36 HydrophobicContact CE-CG 4.18Å; M34-L123 HydrophobicContact CB-CD1 4.39Å; M34-L123 HydrophobicContact CE-CD1 3.44Å; M34-L123 VanDerWaalsContact CE-CD1 3.44Å; M34-K126 HydrophobicContact CE-CB 4.11Å; M34-K126 HydrophobicContact CE-CD 3.48Å; M34-K126 VanDerWaalsContact CE-CD 3.48Å; M34-K126 HydrophobicContact CE-CG 4.45Å; M34-N127 VanDerWaalsContact CB-OD1 3.29Å; M34-N127 WeakPolarHBondContact CB-OD1 3.39Å; M34-N127 PolarHBondContact N-OD1 2.87Å; M34-N127 PolarHBondContact O-ND2 3.38Å
35	L	88.4	Confident	88.2	Confident	8 Å²	8	42.9 Å²	42.9	4%	0.042	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	96.3	172.9	-67.2	178.7	0	0	0	110.1	S24 I26 V33 V39 Y41	S24-L35 PolarHBondContact O-N 3.05Å; S24-L35 PolarHBondContact OG-O 3.34Å; I26-L35 HydrophobicContact CB-CD1 4.34Å; I26-L35 HydrophobicContact CD1-CD1 3.25Å; I26-L35 HydrophobicContact CD1-CG 4.43Å; I26-L35 HydrophobicContact CG1-CD1 3.66Å; I26-L35 HydrophobicContact CG1-CG 4.44Å; V33-L35 HydrophobicContact CG2-CG 4.31Å; L35-V39 HydrophobicContact CD2-CG1 4Å; L35-Y41 HydrophobicContact CD1-CD1 3.71Å; L35-Y41 HydrophobicContact CD1-CD2 3.73Å; L35-Y41 HydrophobicContact CD1-CE1 4.34Å; L35-Y41 HydrophobicContact CD1-CE2 4.34Å; L35-Y41 HydrophobicContact CD1-CG 3.37Å
36	P	84.3	Confident	88.3	Confident	38 Å²	38	40.8 Å²	40.8	25%	0.247	23%	0.233	C	C	.	.			trans	-60.8	154.9	167.2	-21.5	31.4	0	0	0	112.4	M34 G38 V39 L123	M34-P36 HydrophobicContact CE-CG 4.18Å; P36-G38 PolarHBondContact O-N 3.02Å; P36-V39 HydrophobicContact CB-CG2 4.2Å; P36-V39 HydrophobicContact CG-CG2 4.36Å; P36-V39 WeakPolarHBondContact O-CG2 3.38Å; P36-V39 PolarHBondContact O-N 3.47Å; P36-L123 HydrophobicContact CG-CD1 4.01Å
37	D	76	Confident	88.5	Confident	112 Å²	112	38.5 Å²	38.5	60%	0.599	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.9	131.7	172.5	-67.5	-38.5	0	0	0	111.6
38	G	70.5	Confident	88.6	Confident	74 Å²	74	31.4 Å²	31.4	76%	0.763	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	92	-5.2	177.4	0	0	0	0	0	115.9	P36	P36-G38 PolarHBondContact O-N 3.02Å
39	V	73.5	Confident	88.8	Confident	52 Å²	52	31.6 Å²	31.6	32%	0.315	19%	0.191	S	C	.	.			trans	-76.3	141.8	173.8	176.6	0	0	0	0	110.8	L35 P36 Y41 L123	L35-V39 HydrophobicContact CD2-CG1 4Å; P36-V39 HydrophobicContact CB-CG2 4.2Å; P36-V39 HydrophobicContact CG-CG2 4.36Å; P36-V39 WeakPolarHBondContact O-CG2 3.38Å; P36-V39 PolarHBondContact O-N 3.47Å; V39-Y41 PolarHBondContact O-N 3.31Å; V39-L123 HydrophobicContact CB-CD2 4.23Å; V39-L123 HydrophobicContact CG1-CD2 3.57Å; V39-L123 HydrophobicContact CG2-CD2 3.71Å
40	F	76.1	Confident	88.9	Confident	51 Å²	51	30.8 Å²	30.8	22%	0.224	18%	0.182	C	C	.	.			trans	-70.3	113.5	176	-168.7	-101.7	0	0	0	111.1	F166 K588 P591	F40-F166 HydrophobicContact CE2-CD2 4.03Å; F40-F166 HydrophobicContact CE2-CE2 4.28Å; F40-F166 HydrophobicContact CZ-CD2 4.08Å; F40-K588 HydrophobicContact CE2-CB 3.93Å; F40-P591 HydrophobicContact CB-CG 3.62Å; F40-P591 HydrophobicContact CD2-CG 3.96Å; F40-P591 HydrophobicContact CG-CG 4.16Å
41	Y	84.6	Confident	89.1	Confident	28 Å²	28	28.2 Å²	28.2	11%	0.11	17%	0.165	C	C	.	.			trans	-146.9	130.3	169	169.4	-99	0	0	0	109.4	I26 E28 L35 V39 P43 I96 K588	I26-Y41 HydrophobicContact CD1-CD1 3.64Å; I26-Y41 HydrophobicContact CD1-CE1 3.3Å; I26-Y41 HydrophobicContact CD1-CE2 4.5Å; I26-Y41 HydrophobicContact CD1-CG 4.38Å; E28-Y41 VanDerWaalsContact OE1-CE2 3.31Å; E28-Y41 WeakPolarHBondContact OE1-CE2 3.44Å; E28-Y41 PolarHBondContact OE1-OH 3.37Å; L35-Y41 HydrophobicContact CD1-CD1 3.71Å; L35-Y41 HydrophobicContact CD1-CD2 3.73Å; L35-Y41 HydrophobicContact CD1-CE1 4.34Å; L35-Y41 HydrophobicContact CD1-CE2 4.34Å; L35-Y41 HydrophobicContact CD1-CG 3.37Å; V39-Y41 PolarHBondContact O-N 3.31Å; Y41-P43 HydrophobicContact CE1-CB 3.96Å; Y41-P43 HydrophobicContact CE1-CG 4.39Å; Y41-I96 HydrophobicContact CE2-CD1 4.02Å; Y41-K588 VanDerWaalsContact O-CD 3.26Å; Y41-K588 WeakPolarHBondContact O-CD 3.37Å; Y41-K588 VanDerWaalsContact O-CE 3.29Å; Y41-K588 WeakPolarHBondContact O-CE 3.46Å; Y41-K588 PolarHBondContact O-NZ 2.95Å
42	N	87.7	Confident	89.2	Confident	5 Å²	5	28.2 Å²	28.2	3%	0.027	17%	0.165	C	C	.	.			trans	-118.5	113.2	175	-166.1	-7.7	0	0	0	110.4	V44 Q45 R49 F251 G586 K588	N42-V44 PolarHBondContact O-N 3.37Å; N42-V44 WeakPolarHBondContact OD1-CB 3.06Å; N42-V44 WeakPolarHBondContact OD1-CG2 3.34Å; N42-V44 PolarHBondContact OD1-N 3.4Å; N42-Q45 HydrophobicContact CB-CB 4.42Å; N42-Q45 HydrophobicContact CB-CG 4.14Å; N42-Q45 PolarHBondContact O-N 2.95Å; N42-Q45 VanDerWaalsContact O-N 3.1Å; N42-R49 PolarHBondContact O-NH1 2.9Å; N42-R49 PolarHBondContact O-NH2 2.83Å; N42-F251 VanDerWaalsContact ND2-CZ 3.28Å; N42-F251 WeakPolarHBondContact ND2-CZ 3.45Å; N42-G586 PolarHBondContact ND2-O 3.18Å; N42-K588 HydrophobicContact CB-CD 4.24Å; N42-K588 HydrophobicContact CB-CG 4.41Å
43	P	88	Confident	89.3	Confident	42 Å²	42	24.6 Å²	24.6	27%	0.273	15%	0.148	S	C	.	.	G	3₁₀ helix	trans	-62.2	-30.9	178.6	24.5	-33.4	0	0	0	112.2	Y41 Q45 E46	Y41-P43 HydrophobicContact CE1-CB 3.96Å; Y41-P43 HydrophobicContact CE1-CG 4.39Å; P43-Q45 PolarHBondContact O-N 3.03Å; P43-Q45 VanDerWaalsContact O-N 3.08Å; P43-E46 VanDerWaalsContact O-CB 3.3Å; P43-E46 WeakPolarHBondContact O-CB 3.4Å; P43-E46 PolarHBondContact O-N 3.49Å
44	V	88.5	Confident	89.4	Confident	5 Å²	5	24.8 Å²	24.8	3%	0.03	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	-58.8	-27.1	176.2	-177.4	0	0	0	0	112.9	N42 E46 F251 W585	N42-V44 PolarHBondContact O-N 3.37Å; N42-V44 WeakPolarHBondContact OD1-CB 3.06Å; N42-V44 WeakPolarHBondContact OD1-CG2 3.34Å; N42-V44 PolarHBondContact OD1-N 3.4Å; V44-E46 PolarHBondContact O-N 2.81Å; V44-F251 HydrophobicContact CB-CE1 4.02Å; V44-F251 HydrophobicContact CB-CZ 4.36Å; V44-F251 HydrophobicContact CG1-CD1 4.5Å; V44-F251 HydrophobicContact CG1-CE1 3.52Å; V44-F251 HydrophobicContact CG1-CZ 4.2Å; V44-W585 HydrophobicContact CB-CD2 4.2Å; V44-W585 HydrophobicContact CB-CE3 4.4Å; V44-W585 HydrophobicContact CB-CH2 4.37Å; V44-W585 HydrophobicContact CB-CZ2 4.19Å; V44-W585 HydrophobicContact CB-CZ3 4.46Å; V44-W585 HydrophobicContact CG1-CD2 3.76Å; V44-W585 HydrophobicContact CG1-CE3 4.4Å; V44-W585 HydrophobicContact CG1-CG 4.15Å; V44-W585 HydrophobicContact CG1-CH2 4.2Å; V44-W585 HydrophobicContact CG1-CZ2 3.54Å; V44-W585 VanDerWaalsContact CG1-NE1 3.33Å; V44-W585 HydrophobicContact CG2-CD2 3.51Å; V44-W585 HydrophobicContact CG2-CE3 3.48Å; V44-W585 VanDerWaalsContact CG2-CE3 3.48Å; V44-W585 HydrophobicContact CG2-CG 4.01Å; V44-W585 HydrophobicContact CG2-CH2 4.22Å; V44-W585 HydrophobicContact CG2-CZ2 4.27Å; V44-W585 HydrophobicContact CG2-CZ3 3.82Å
45	Q	92.8	Very high	89.6	Confident	10 Å²	10	23.4 Å²	23.4	5%	0.047	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-82.4	6.2	179	-70.7	-173.3	-17.4	0	0	113.8	N42 P43 F47 N48 R49 F251 Y252	N42-Q45 HydrophobicContact CB-CB 4.42Å; N42-Q45 HydrophobicContact CB-CG 4.14Å; N42-Q45 PolarHBondContact O-N 2.95Å; N42-Q45 VanDerWaalsContact O-N 3.1Å; P43-Q45 PolarHBondContact O-N 3.03Å; P43-Q45 VanDerWaalsContact O-N 3.08Å; Q45-F47 PolarHBondContact O-N 3.45Å; Q45-N48 HydrophobicContact CB-CB 4.37Å; Q45-N48 WeakPolarHBondContact O-CA 3.5Å; Q45-N48 VanDerWaalsContact O-CB 3.28Å; Q45-N48 WeakPolarHBondContact O-CB 3.41Å; Q45-N48 PolarHBondContact O-N 3.04Å; Q45-R49 VanDerWaalsContact C-CZ 3.44Å; Q45-R49 VanDerWaalsContact CB-NH1 3.3Å; Q45-R49 PolarHBondContact O-N 2.9Å; Q45-R49 VanDerWaalsContact O-N 3.09Å; Q45-R49 PolarHBondContact O-NH1 3.04Å; Q45-F251 HydrophobicContact CG-CE2 4.46Å; Q45-F251 HydrophobicContact CG-CZ 4.05Å; Q45-Y252 HydrophobicContact CG-CE1 4.43Å
46	E	94.8	Very high	90.1	Very high	54 Å²	54	23 Å²	23	25%	0.252	14%	0.14	S	C	.	.	H	α-helix	trans	-55.6	-41.1	172.5	-177.2	-176.2	178.2	0	0	110.2	E28 P43 V44 N48 R49 D50 T394	E28-E46 HydrophobicContact CG-CG 4.26Å; P43-E46 VanDerWaalsContact O-CB 3.3Å; P43-E46 WeakPolarHBondContact O-CB 3.4Å; P43-E46 PolarHBondContact O-N 3.49Å; V44-E46 PolarHBondContact O-N 2.81Å; E46-N48 VanDerWaalsContact C-N 3.29Å; E46-N48 PolarHBondContact O-N 3.44Å; E46-R49 PolarHBondContact O-N 3.28Å; E46-D50 PolarHBondContact O-N 3.04Å; E46-T394 HydrophobicContact CB-CG2 4.41Å; E46-T394 HydrophobicContact CG-CG2 4.16Å
47	F	95.4	Very high	90.7	Very high	1 Å²	1	22 Å²	22	0%	0.004	13%	0.133	C	C	.	.	H	α-helix	trans	-57.1	-40.5	173.5	176.8	-99	0	0	0	112.9	Q45 R49 L51 L247 V249 Y252 T394 R397 I398 M401	Q45-F47 PolarHBondContact O-N 3.45Å; F47-R49 VanDerWaalsContact C-N 3.32Å; F47-R49 PolarHBondContact O-N 3.38Å; F47-L51 HydrophobicContact CE1-CD2 3.99Å; F47-L51 HydrophobicContact CZ-CD2 4.16Å; F47-L51 WeakPolarHBondContact O-CB 3.23Å; F47-L51 PolarHBondContact O-N 3.17Å; F47-L247 HydrophobicContact CE1-CD1 4.45Å; F47-L247 HydrophobicContact CZ-CD1 4.37Å; F47-V249 HydrophobicContact CD1-CG1 3.63Å; F47-V249 HydrophobicContact CD1-CG2 4.38Å; F47-V249 HydrophobicContact CE1-CB 4.43Å; F47-V249 HydrophobicContact CE1-CG1 3.75Å; F47-V249 HydrophobicContact CE1-CG2 3.81Å; F47-Y252 WeakPolarHBondContact CD1-OH 3.34Å; F47-T394 WeakPolarHBondContact CA-OG1 3.23Å; F47-T394 HydrophobicContact CB-CG2 4.06Å; F47-R397 HydrophobicContact CD2-CB 3.99Å; F47-R397 HydrophobicContact CD2-CG 3.71Å; F47-R397 HydrophobicContact CE2-CB 4Å; F47-R397 HydrophobicContact CE2-CG 3.62Å; F47-R397 HydrophobicContact CZ-CG 4.41Å; F47-I398 HydrophobicContact CD2-CG1 3.97Å; F47-I398 HydrophobicContact CE2-CB 4.33Å; F47-I398 HydrophobicContact CE2-CG1 3.58Å; F47-M401 HydrophobicContact CE2-CG 4.36Å; F47-M401 HydrophobicContact CZ-CB 4.08Å; F47-M401 HydrophobicContact CZ-CG 3.87Å
48	N	97.1	Very high	91.8	Very high	0 Å²	0	17 Å²	17	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63.4	-42.7	177.2	-165.2	8.4	0	0	0	110.6	Q45 E46 T52 T189 Y252 R254	Q45-N48 HydrophobicContact CB-CB 4.37Å; Q45-N48 WeakPolarHBondContact O-CA 3.5Å; Q45-N48 VanDerWaalsContact O-CB 3.28Å; Q45-N48 WeakPolarHBondContact O-CB 3.41Å; Q45-N48 PolarHBondContact O-N 3.04Å; E46-N48 VanDerWaalsContact C-N 3.29Å; E46-N48 PolarHBondContact O-N 3.44Å; N48-T52 WeakPolarHBondContact O-CB 3.5Å; N48-T52 PolarHBondContact O-N 2.98Å; N48-T52 PolarHBondContact O-OG1 2.91Å; N48-T189 PolarHBondContact ND2-OG1 3.33Å; N48-Y252 HydrophobicContact CB-CE2 3.85Å; N48-Y252 WeakPolarHBondContact CB-OH 3.5Å; N48-Y252 PolarHBondContact N-OH 3.19Å; N48-R254 WeakPolarHBondContact OD1-CD 3.41Å; N48-R254 WeakPolarHBondContact OD1-CG 3.46Å; N48-R254 PolarHBondContact OD1-NE 3.18Å; N48-R254 VanDerWaalsContact OD1-NE 3.16Å
49	R	97.1	Very high	93.1	Very high	7 Å²	7	13.4 Å²	13.4	3%	0.026	7%	0.069	C	C	.	.	H	α-helix	trans	-67.2	-52	179.7	-67.9	-179.5	-72.9	-87.1	3.2	111	E28 N42 Q45 E46 F47 L51 T52 I53	E28-R49 VanDerWaalsContact CD-NE 3.27Å; E28-R49 IonicContact OE1-CZ 3.41Å; E28-R49 IonicContact OE1-NE 3.96Å; E28-R49 PolarHBondContact OE1-NE 3.23Å; E28-R49 IonicContact OE1-NH2 3.37Å; E28-R49 PolarHBondContact OE1-NH2 3.32Å; E28-R49 WeakPolarHBondContact OE2-CD 3.46Å; E28-R49 IonicContact OE2-CZ 3.47Å; E28-R49 IonicContact OE2-NE 3.85Å; E28-R49 PolarHBondContact OE2-NE 3.36Å; E28-R49 IonicContact OE2-NH2 2.69Å; N42-R49 PolarHBondContact O-NH1 2.9Å; N42-R49 PolarHBondContact O-NH2 2.83Å; Q45-R49 VanDerWaalsContact C-CZ 3.44Å; Q45-R49 VanDerWaalsContact CB-NH1 3.3Å; Q45-R49 PolarHBondContact O-N 2.9Å; Q45-R49 VanDerWaalsContact O-N 3.09Å; Q45-R49 PolarHBondContact O-NH1 3.04Å; E46-R49 PolarHBondContact O-N 3.28Å; F47-R49 VanDerWaalsContact C-N 3.32Å; F47-R49 PolarHBondContact O-N 3.38Å; R49-L51 PolarHBondContact O-N 2.98Å; R49-T52 WeakPolarHBondContact O-CB 3.35Å; R49-T52 PolarHBondContact O-N 2.97Å; R49-T52 VanDerWaalsContact O-N 3.08Å; R49-I53 WeakPolarHBondContact O-CG1 3.5Å; R49-I53 PolarHBondContact O-N 2.8Å
50	D	97.1	Very high	94.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.061	C	C	.	.	H	α-helix	trans	-56.8	-47.5	176.6	-71.7	-13	0	0	0	111.9	E46 T52 I53 A54 R100 H392 G393 T394 I398	E46-D50 PolarHBondContact O-N 3.04Å; D50-T52 PolarHBondContact O-N 3.1Å; D50-I53 PolarHBondContact O-N 3.05Å; D50-A54 WeakPolarHBondContact O-CB 3.45Å; D50-A54 PolarHBondContact O-N 3.46Å; D50-R100 IonicContact OD1-CZ 3.62Å; D50-R100 IonicContact OD1-NH1 3.54Å; D50-R100 PolarHBondContact OD1-NH1 2.86Å; D50-R100 IonicContact OD1-NH2 3.75Å; D50-R100 PolarHBondContact OD1-NH2 3.45Å; D50-H392 HydrophobicContact CB-CB 3.95Å; D50-H392 IonicContact OD1-CD2 3.02Å; D50-G393 PolarHBondContact OD2-N 3.07Å; D50-T394 WeakPolarHBondContact CB-OG1 3.37Å; D50-T394 WeakPolarHBondContact OD2-CB 2.97Å; D50-T394 PolarHBondContact OD2-N 3.23Å; D50-T394 PolarHBondContact OD2-OG1 3.39Å; D50-I398 HydrophobicContact CB-CD1 3.66Å
51	L	97.9	Very high	95.1	Very high	1 Å²	1	13.3 Å²	13.3	1%	0.005	7%	0.068	C	C	.	.	H	α-helix	trans	-60.1	-38.3	178.2	-180	64.1	0	0	0	111.3	F47 R49 A54 V55 L245 L247 R254 F256 F339 I398	F47-L51 HydrophobicContact CE1-CD2 3.99Å; F47-L51 HydrophobicContact CZ-CD2 4.16Å; F47-L51 WeakPolarHBondContact O-CB 3.23Å; F47-L51 PolarHBondContact O-N 3.17Å; R49-L51 PolarHBondContact O-N 2.98Å; L51-A54 PolarHBondContact O-N 3.24Å; L51-V55 HydrophobicContact CD1-CG2 4.05Å; L51-V55 HydrophobicContact CG-CG2 4.36Å; L51-V55 WeakPolarHBondContact O-CB 3.44Å; L51-V55 VanDerWaalsContact O-CG2 3.28Å; L51-V55 WeakPolarHBondContact O-CG2 3.46Å; L51-V55 PolarHBondContact O-N 3.04Å; L51-L245 HydrophobicContact CD1-CD2 4.06Å; L51-L245 HydrophobicContact CD2-CD2 4.5Å; L51-L247 HydrophobicContact CD2-CD1 3.68Å; L51-R254 HydrophobicContact CD2-CG 4.43Å; L51-F256 HydrophobicContact CD2-CE2 3.79Å; L51-F256 HydrophobicContact CD2-CZ 4.28Å; L51-F256 HydrophobicContact CG-CE2 3.9Å; L51-F256 HydrophobicContact CG-CZ 4.03Å; L51-F339 HydrophobicContact CD1-CZ 4.3Å; L51-I398 HydrophobicContact CD1-CG2 3.99Å
52	T	98.3	Very high	95.5	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-64.1	-47.6	177	-57.2	0	0	0	0	111.5	N48 R49 D50 A54 V55 V56 R254 F256	N48-T52 WeakPolarHBondContact O-CB 3.5Å; N48-T52 PolarHBondContact O-N 2.98Å; N48-T52 PolarHBondContact O-OG1 2.91Å; R49-T52 WeakPolarHBondContact O-CB 3.35Å; R49-T52 PolarHBondContact O-N 2.97Å; R49-T52 VanDerWaalsContact O-N 3.08Å; D50-T52 PolarHBondContact O-N 3.1Å; T52-A54 VanDerWaalsContact C-N 3.32Å; T52-A54 PolarHBondContact O-N 3.32Å; T52-V55 PolarHBondContact O-N 3.49Å; T52-V56 HydrophobicContact CG2-CG2 4.13Å; T52-V56 WeakPolarHBondContact O-CB 3.4Å; T52-V56 WeakPolarHBondContact O-CG2 3.29Å; T52-V56 PolarHBondContact O-N 3.39Å; T52-R254 VanDerWaalsContact CG2-NH2 3.28Å; T52-R254 PolarHBondContact OG1-NH2 3.01Å; T52-F256 HydrophobicContact CG2-CE1 4.46Å
53	I	98	Very high	95.8	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-59	-45.9	177.3	-60.1	-49	0	0	0	110.8	R49 D50 V56 N57 R100 M101 E104 V105	R49-I53 WeakPolarHBondContact O-CG1 3.5Å; R49-I53 PolarHBondContact O-N 2.8Å; D50-I53 PolarHBondContact O-N 3.05Å; I53-V56 PolarHBondContact O-N 3.42Å; I53-N57 WeakPolarHBondContact O-CB 3.39Å; I53-N57 PolarHBondContact O-N 3.31Å; I53-N57 PolarHBondContact O-ND2 3.02Å; I53-R100 HydrophobicContact CD1-CB 3.86Å; I53-R100 HydrophobicContact CG1-CB 4.18Å; I53-M101 HydrophobicContact CD1-CB 4.23Å; I53-M101 HydrophobicContact CD1-CG 3.45Å; I53-M101 VanDerWaalsContact CD1-CG 3.45Å; I53-E104 HydrophobicContact CG2-CB 3.57Å; I53-V105 HydrophobicContact CD1-CG2 4.29Å; I53-V105 HydrophobicContact CG2-CG2 4.22Å
54	A	97.6	Very high	96	Very high	3 Å²	3	17 Å²	17	3%	0.025	8%	0.079	C	C	.	.	H	α-helix	trans	-61.3	-47.9	178.8	0	0	0	0	0	112	D50 L51 T52 N57 Q58 F339	D50-A54 WeakPolarHBondContact O-CB 3.45Å; D50-A54 PolarHBondContact O-N 3.46Å; L51-A54 PolarHBondContact O-N 3.24Å; T52-A54 VanDerWaalsContact C-N 3.32Å; T52-A54 PolarHBondContact O-N 3.32Å; A54-N57 PolarHBondContact O-N 3.39Å; A54-Q58 PolarHBondContact O-N 3.37Å; A54-Q58 VanDerWaalsContact O-N 3.08Å; A54-F339 HydrophobicContact CB-CE2 3.75Å; A54-F339 HydrophobicContact CB-CZ 3.85Å
55	V	98.5	Very high	96.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.3	-39.1	-179.8	170.4	0	0	0	0	111.8	L51 T52 Q58 F59 L185 L245 F256 F335 F339	L51-V55 HydrophobicContact CD1-CG2 4.05Å; L51-V55 HydrophobicContact CG-CG2 4.36Å; L51-V55 WeakPolarHBondContact O-CB 3.44Å; L51-V55 VanDerWaalsContact O-CG2 3.28Å; L51-V55 WeakPolarHBondContact O-CG2 3.46Å; L51-V55 PolarHBondContact O-N 3.04Å; T52-V55 PolarHBondContact O-N 3.49Å; V55-Q58 PolarHBondContact O-N 3Å; V55-F59 WeakPolarHBondContact O-CB 3.3Å; V55-F59 PolarHBondContact O-N 3.39Å; V55-L185 HydrophobicContact CG1-CD2 4.32Å; V55-L245 HydrophobicContact CG2-CD2 4.37Å; V55-F256 HydrophobicContact CB-CD1 4.12Å; V55-F256 HydrophobicContact CB-CE1 3.95Å; V55-F256 HydrophobicContact CB-CG 4.48Å; V55-F256 HydrophobicContact CB-CZ 4.18Å; V55-F256 HydrophobicContact CG1-CB 4.17Å; V55-F256 HydrophobicContact CG1-CD1 3.52Å; V55-F256 HydrophobicContact CG1-CD2 4.36Å; V55-F256 HydrophobicContact CG1-CE1 3.89Å; V55-F256 HydrophobicContact CG1-CG 3.77Å; V55-F256 HydrophobicContact CG1-CZ 4.44Å; V55-F256 HydrophobicContact CG2-CD2 4.29Å; V55-F256 HydrophobicContact CG2-CE1 4.35Å; V55-F256 HydrophobicContact CG2-CE2 4.08Å; V55-F256 HydrophobicContact CG2-CZ 4.1Å; V55-F335 HydrophobicContact CG1-CE1 4.5Å; V55-F335 HydrophobicContact CG1-CZ 4.08Å; V55-F339 HydrophobicContact CG2-CE2 4.21Å; V55-F339 HydrophobicContact CG2-CZ 4.06Å
56	V	98.4	Very high	96.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-67.1	-40.1	177.9	174.5	0	0	0	0	111.1	T52 I53 Q58 F59 G60 L85 I87 V105 V160 L185	T52-V56 HydrophobicContact CG2-CG2 4.13Å; T52-V56 WeakPolarHBondContact O-CB 3.4Å; T52-V56 WeakPolarHBondContact O-CG2 3.29Å; T52-V56 PolarHBondContact O-N 3.39Å; I53-V56 PolarHBondContact O-N 3.42Å; V56-Q58 VanDerWaalsContact C-N 3.32Å; V56-Q58 PolarHBondContact O-N 3.03Å; V56-F59 PolarHBondContact O-N 2.85Å; V56-G60 PolarHBondContact O-N 2.99Å; V56-L85 HydrophobicContact CG1-CD1 4.25Å; V56-I87 HydrophobicContact CG1-CD1 4.26Å; V56-V105 HydrophobicContact CB-CG2 4.18Å; V56-V105 HydrophobicContact CG1-CB 4.45Å; V56-V105 HydrophobicContact CG1-CG1 3.7Å; V56-V105 HydrophobicContact CG1-CG2 3.88Å; V56-V160 HydrophobicContact CG1-CG2 4.34Å; V56-V160 HydrophobicContact CG2-CG1 4.14Å; V56-L185 HydrophobicContact CG2-CD2 4.05Å
57	N	97.4	Very high	95.7	Very high	16 Å²	16	21.8 Å²	21.8	9%	0.086	10%	0.099	C	C	.	.	H	α-helix	trans	-59.1	-44.1	171.6	-92.1	-51.7	0	0	0	111.7	I53 A54 G60 K61 E104 V105 S106	I53-N57 WeakPolarHBondContact O-CB 3.39Å; I53-N57 PolarHBondContact O-N 3.31Å; I53-N57 PolarHBondContact O-ND2 3.02Å; A54-N57 PolarHBondContact O-N 3.39Å; N57-G60 PolarHBondContact O-N 2.82Å; N57-K61 PolarHBondContact O-N 3.1Å; N57-E104 PolarHBondContact ND2-O 3.18Å; N57-V105 WeakPolarHBondContact OD1-CA 3.44Å; N57-S106 PolarHBondContact OD1-N 3.22Å; N57-S106 PolarHBondContact OD1-OG 3.3Å
58	Q	97.7	Very high	95.4	Very high	7 Å²	7	25.2 Å²	25.2	3%	0.033	12%	0.117	C	C	.	.	H	α-helix	trans	-64.4	-42.9	177.2	-166.3	62.5	14.1	0	0	112.4	A54 V55 V56 G60 K61 L62 F335 F339 D342	A54-Q58 PolarHBondContact O-N 3.37Å; A54-Q58 VanDerWaalsContact O-N 3.08Å; V55-Q58 PolarHBondContact O-N 3Å; V56-Q58 VanDerWaalsContact C-N 3.32Å; V56-Q58 PolarHBondContact O-N 3.03Å; Q58-G60 VanDerWaalsContact C-N 3.3Å; Q58-G60 PolarHBondContact O-N 3.27Å; Q58-K61 PolarHBondContact O-N 3.36Å; Q58-L62 PolarHBondContact O-N 2.83Å; Q58-F335 HydrophobicContact CB-CE2 4.1Å; Q58-F335 HydrophobicContact CB-CZ 3.96Å; Q58-F335 HydrophobicContact CG-CD2 4.45Å; Q58-F335 HydrophobicContact CG-CE2 3.66Å; Q58-F335 HydrophobicContact CG-CZ 3.83Å; Q58-F339 HydrophobicContact CB-CD2 3.87Å; Q58-F339 HydrophobicContact CG-CB 4.13Å; Q58-F339 HydrophobicContact CG-CD2 4.02Å; Q58-D342 VanDerWaalsContact CD-OD2 3.27Å; Q58-D342 PolarHBondContact NE2-OD2 3.17Å; Q58-D342 PolarHBondContact OE1-OD2 3.24Å
59	F	97.9	Very high	95	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-60	-40	173.5	167.2	-95.6	0	0	0	111.8	V55 V56 K61 L62 H63 L85 D159 V160 L185	V55-F59 WeakPolarHBondContact O-CB 3.3Å; V55-F59 PolarHBondContact O-N 3.39Å; V56-F59 PolarHBondContact O-N 2.85Å; F59-K61 VanDerWaalsContact C-N 3.32Å; F59-K61 PolarHBondContact O-N 3.34Å; F59-L62 PolarHBondContact O-N 3.22Å; F59-H63 HydrophobicContact CE1-CB 4.24Å; F59-H63 HydrophobicContact CZ-CB 4.19Å; F59-H63 VanDerWaalsContact O-CB 3.23Å; F59-H63 WeakPolarHBondContact O-CB 3.46Å; F59-H63 PolarHBondContact O-N 3.43Å; F59-L85 HydrophobicContact CD1-CD1 4.41Å; F59-L85 HydrophobicContact CD1-CD2 4.49Å; F59-L85 HydrophobicContact CE1-CD2 4Å; F59-D159 HydrophobicContact CE1-CB 4.42Å; F59-V160 HydrophobicContact CD1-CG2 3.86Å; F59-V160 HydrophobicContact CE1-CG2 3.62Å; F59-V160 HydrophobicContact CZ-CG2 4.5Å; F59-L185 HydrophobicContact CB-CD2 3.84Å; F59-L185 HydrophobicContact CD1-CB 4.15Å; F59-L185 HydrophobicContact CD1-CD2 4.23Å; F59-L185 HydrophobicContact CD2-CB 3.69Å; F59-L185 HydrophobicContact CD2-CD1 4.4Å; F59-L185 HydrophobicContact CD2-CD2 4.29Å; F59-L185 HydrophobicContact CD2-CG 4.35Å; F59-L185 HydrophobicContact CE1-CB 4.12Å; F59-L185 HydrophobicContact CE2-CB 3.6Å; F59-L185 HydrophobicContact CG-CB 3.95Å; F59-L185 HydrophobicContact CG-CD2 3.87Å; F59-L185 HydrophobicContact CG-CG 4.41Å; F59-L185 HydrophobicContact CZ-CB 3.86Å
60	G	96.4	Very high	94.4	Very high	13 Å²	13	33.9 Å²	33.9	13%	0.134	16%	0.158	C	C	.	.	H	α-helix	trans	-58.2	-42	176.7	0	0	0	0	0	112.7	V56 N57 Q58 R64	V56-G60 PolarHBondContact O-N 2.99Å; N57-G60 PolarHBondContact O-N 2.82Å; Q58-G60 VanDerWaalsContact C-N 3.3Å; Q58-G60 PolarHBondContact O-N 3.27Å; G60-R64 WeakPolarHBondContact O-CB 3.5Å; G60-R64 PolarHBondContact O-N 2.88Å
61	K	95.1	Very high	93.6	Very high	88 Å²	88	36.9 Å²	36.9	38%	0.383	17%	0.173	S	C	.	.	H	α-helix	trans	-63.3	-49.8	173.5	-64.8	177.5	-178.3	176.1	0	111.7	N57 Q58 F59 H63 R64 R65 D342	N57-K61 PolarHBondContact O-N 3.1Å; Q58-K61 PolarHBondContact O-N 3.36Å; F59-K61 VanDerWaalsContact C-N 3.32Å; F59-K61 PolarHBondContact O-N 3.34Å; K61-H63 PolarHBondContact O-N 3.13Å; K61-R64 PolarHBondContact O-N 3.04Å; K61-R65 PolarHBondContact O-N 3.02Å; K61-D342 WeakPolarHBondContact CD-OD2 3.24Å; K61-D342 IonicContact NZ-OD1 2.81Å; K61-D342 PolarHBondContact NZ-OD1 2.93Å; K61-D342 IonicContact NZ-OD2 3.41Å; K61-D342 PolarHBondContact NZ-OD2 2.9Å
62	L	94.9	Very high	92.7	Very high	22 Å²	22	43.9 Å²	43.9	12%	0.115	20%	0.203	C	C	.	.	H	α-helix	trans	-57.9	-49.5	178.5	174.6	61.9	0	0	0	111.3	Q58 F59 R64 R65 E66 F335	Q58-L62 PolarHBondContact O-N 2.83Å; F59-L62 PolarHBondContact O-N 3.22Å; L62-R64 PolarHBondContact O-N 2.72Å; L62-R65 WeakPolarHBondContact O-CB 3.22Å; L62-R65 PolarHBondContact O-N 2.96Å; L62-E66 HydrophobicContact CD1-CG 4.32Å; L62-E66 WeakPolarHBondContact O-CG 3.37Å; L62-E66 PolarHBondContact O-N 2.76Å; L62-F335 HydrophobicContact CD2-CD2 4.45Å
63	H	92.7	Very high	91.8	Very high	37 Å²	37	50.4 Å²	50.4	17%	0.171	24%	0.238	C	C	.	.	H	α-helix	trans	-62.7	-41.9	-178.2	-173.2	71.9	0	0	0	112	F59 K61 E66 A67 D159	F59-H63 HydrophobicContact CE1-CB 4.24Å; F59-H63 HydrophobicContact CZ-CB 4.19Å; F59-H63 VanDerWaalsContact O-CB 3.23Å; F59-H63 WeakPolarHBondContact O-CB 3.46Å; F59-H63 PolarHBondContact O-N 3.43Å; K61-H63 PolarHBondContact O-N 3.13Å; H63-E66 PolarHBondContact O-N 3.07Å; H63-A67 WeakPolarHBondContact O-CB 3.3Å; H63-A67 PolarHBondContact O-N 3.22Å; H63-D159 IonicContact NE2-OD1 2.83Å
64	R	91.7	Very high	90.7	Very high	94 Å²	94	56.9 Å²	56.9	36%	0.355	27%	0.267	S	S	.	.	H	α-helix	trans	-61.4	-43.9	174.1	-179.9	176.9	-71.9	-164.9	-3.6	111.6	G60 K61 L62 A67 I68 P82 N107	G60-R64 WeakPolarHBondContact O-CB 3.5Å; G60-R64 PolarHBondContact O-N 2.88Å; K61-R64 PolarHBondContact O-N 3.04Å; L62-R64 PolarHBondContact O-N 2.72Å; R64-A67 PolarHBondContact O-N 3.07Å; R64-I68 HydrophobicContact CG-CD1 4.01Å; R64-I68 VanDerWaalsContact O-CG1 3.31Å; R64-I68 WeakPolarHBondContact O-CG1 3.27Å; R64-I68 PolarHBondContact O-N 2.91Å; R64-P82 HydrophobicContact CB-CG 4.49Å; R64-P82 HydrophobicContact CG-CG 3.92Å; R64-N107 PolarHBondContact NH2-ND2 3.12Å
65	R	91.9	Very high	89.2	Confident	116 Å²	116	65 Å²	65	44%	0.438	31%	0.306	S	S	.	.	H	α-helix	trans	-60.6	-46.1	176.6	-179.4	170	64.2	84.5	-11.9	111.6	K61 L62 A67 I68 L69 E338	K61-R65 PolarHBondContact O-N 3.02Å; L62-R65 WeakPolarHBondContact O-CB 3.22Å; L62-R65 PolarHBondContact O-N 2.96Å; R65-A67 VanDerWaalsContact C-N 3.34Å; R65-A67 PolarHBondContact O-N 3.39Å; R65-I68 PolarHBondContact O-N 3.28Å; R65-L69 HydrophobicContact CG-CD1 4.34Å; R65-L69 WeakPolarHBondContact O-CG 3.41Å; R65-L69 PolarHBondContact O-N 2.87Å; R65-E338 IonicContact NH2-OE1 3.48Å
66	E	91.9	Very high	87.1	Confident	35 Å²	35	72.7 Å²	72.7	16%	0.164	35%	0.347	C	S	.	.	H	α-helix	trans	-62	-39.4	176.6	-68.9	172.6	149.6	0	0	112.6	L62 H63 L69 K70 R258	L62-E66 HydrophobicContact CD1-CG 4.32Å; L62-E66 WeakPolarHBondContact O-CG 3.37Å; L62-E66 PolarHBondContact O-N 2.76Å; H63-E66 PolarHBondContact O-N 3.07Å; E66-L69 PolarHBondContact O-N 2.77Å; E66-K70 WeakPolarHBondContact O-CG 3.45Å; E66-K70 PolarHBondContact O-N 3.33Å; E66-R258 VanDerWaalsContact CD-NH2 3.27Å; E66-R258 IonicContact OE1-CZ 2.82Å; E66-R258 IonicContact OE1-NH1 3.03Å; E66-R258 IonicContact OE1-NH2 2.7Å; E66-R258 PolarHBondContact OE1-NH2 2.85Å; E66-R258 IonicContact OE2-CZ 3.19Å; E66-R258 IonicContact OE2-NH1 3.69Å; E66-R258 PolarHBondContact OE2-NH1 2.75Å; E66-R258 VanDerWaalsContact OE2-NH1 3.12Å; E66-R258 IonicContact OE2-NH2 2.69Å; E66-R258 PolarHBondContact OE2-NH2 2.77Å
67	A	87.7	Confident	85	Confident	18 Å²	18	79.9 Å²	79.9	15%	0.149	38%	0.381	C	S	.	.	H	α-helix	trans	-64.2	-44.6	176.5	0	0	0	0	0	111.7	H63 R64 R65 L69 K70 M71 P82	H63-A67 WeakPolarHBondContact O-CB 3.3Å; H63-A67 PolarHBondContact O-N 3.22Å; R64-A67 PolarHBondContact O-N 3.07Å; R65-A67 VanDerWaalsContact C-N 3.34Å; R65-A67 PolarHBondContact O-N 3.39Å; A67-L69 PolarHBondContact O-N 2.83Å; A67-K70 PolarHBondContact O-N 3.43Å; A67-M71 VanDerWaalsContact O-CG 3.31Å; A67-M71 WeakPolarHBondContact O-CG 3.38Å; A67-M71 PolarHBondContact O-N 3.08Å; A67-P82 HydrophobicContact CB-CB 3.87Å; A67-P82 HydrophobicContact CB-CG 4.16Å
68	I	87.8	Confident	82.8	Confident	72 Å²	72	85.3 Å²	85.3	37%	0.369	42%	0.415	S	S	.	.	H	α-helix	trans	-61.3	-43.1	176.8	-68.2	164.8	0	0	0	111.1	R64 R65 M71 K72	R64-I68 HydrophobicContact CG-CD1 4.01Å; R64-I68 VanDerWaalsContact O-CG1 3.31Å; R64-I68 WeakPolarHBondContact O-CG1 3.27Å; R64-I68 PolarHBondContact O-N 2.91Å; R65-I68 PolarHBondContact O-N 3.28Å; I68-M71 PolarHBondContact O-N 3.11Å; I68-K72 HydrophobicContact CG2-CD 4.48Å; I68-K72 WeakPolarHBondContact O-CG 3.48Å; I68-K72 PolarHBondContact O-N 3.26Å
69	L	88.2	Confident	80.4	Confident	84 Å²	84	89.6 Å²	89.6	44%	0.44	44%	0.443	S	S	.	.	H	α-helix	trans	-63.2	-45.1	177.7	-69.6	172.3	0	0	0	111.7	R65 E66 A67 M71 K72 D73	R65-L69 HydrophobicContact CG-CD1 4.34Å; R65-L69 WeakPolarHBondContact O-CG 3.41Å; R65-L69 PolarHBondContact O-N 2.87Å; E66-L69 PolarHBondContact O-N 2.77Å; A67-L69 PolarHBondContact O-N 2.83Å; L69-M71 VanDerWaalsContact C-N 3.27Å; L69-M71 PolarHBondContact O-N 2.84Å; L69-K72 PolarHBondContact O-N 3.46Å; L69-D73 PolarHBondContact O-N 2.85Å; L69-D73 VanDerWaalsContact O-N 3.12Å
70	K	84.8	Confident	78.3	Confident	105 Å²	105	94.7 Å²	94.7	46%	0.457	47%	0.47	S	S	.	.	H	α-helix	trans	-62.4	-32.3	175.9	-73	171.5	-177.5	169.1	0	113.2	E66 A67 K74	E66-K70 WeakPolarHBondContact O-CG 3.45Å; E66-K70 PolarHBondContact O-N 3.33Å; A67-K70 PolarHBondContact O-N 3.43Å; K70-K74 PolarHBondContact O-N 2.85Å
71	M	80	Confident	76.3	Confident	63 Å²	63	101 Å²	101	31%	0.31	49%	0.494	S	S	.	.	H	α-helix	trans	-71.5	-41.8	174.7	-72.2	170.2	-171.8	0	0	111.5	A67 I68 L69 D73 K74 P79 D80	A67-M71 VanDerWaalsContact O-CG 3.31Å; A67-M71 WeakPolarHBondContact O-CG 3.38Å; A67-M71 PolarHBondContact O-N 3.08Å; I68-M71 PolarHBondContact O-N 3.11Å; L69-M71 VanDerWaalsContact C-N 3.27Å; L69-M71 PolarHBondContact O-N 2.84Å; M71-D73 VanDerWaalsContact C-N 3.26Å; M71-D73 PolarHBondContact O-N 2.99Å; M71-K74 CarbonylContact O-C 3.54Å; M71-K74 PolarHBondContact O-N 2.87Å; M71-K74 VanDerWaalsContact O-O 3.09Å; M71-P79 HydrophobicContact SD-CB 4.2Å; M71-D80 WeakPolarHBondContact CE-O 3.33Å
72	K	81.1	Confident	74.8	Confident	148 Å²	148	97.6 Å²	97.6	64%	0.643	48%	0.481	S	S	*	.	H	α-helix	trans	-60.1	-36.9	176	-74	-178.8	177.2	-172.8	0	112.4	I68 L69 K74	I68-K72 HydrophobicContact CG2-CD 4.48Å; I68-K72 WeakPolarHBondContact O-CG 3.48Å; I68-K72 PolarHBondContact O-N 3.26Å; L69-K72 PolarHBondContact O-N 3.46Å; K72-K74 VanDerWaalsContact C-N 3.27Å; K72-K74 PolarHBondContact O-N 3.23Å
73	D	78.7	Confident	74	Confident	137 Å²	137	104.8 Å²	104.8	73%	0.733	51%	0.507	S	S	*	.	H	α-helix	trans	-68.1	-27.6	175.6	-68.9	-16.1	0	0	0	112.6	L69 M71 M75	L69-D73 PolarHBondContact O-N 2.85Å; L69-D73 VanDerWaalsContact O-N 3.12Å; M71-D73 VanDerWaalsContact C-N 3.26Å; M71-D73 PolarHBondContact O-N 2.99Å; D73-M75 PolarHBondContact O-N 3.45Å
74	K	74.5	Confident	73.9	Confident	137 Å²	137	103.6 Å²	103.6	60%	0.596	51%	0.505	S	S	*	.	S	Bend	trans	-94.7	75.3	175.8	-68	-177	174.8	-167.3	0	109.7	K70 M71 K72 N76	K70-K74 PolarHBondContact O-N 2.85Å; M71-K74 CarbonylContact O-C 3.54Å; M71-K74 PolarHBondContact O-N 2.87Å; M71-K74 VanDerWaalsContact O-O 3.09Å; K72-K74 VanDerWaalsContact C-N 3.27Å; K72-K74 PolarHBondContact O-N 3.23Å; K74-N76 PolarHBondContact O-N 3.01Å
75	M	65.6	Low	74.2	Confident	172 Å²	172	99.3 Å²	99.3	85%	0.847	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.9	-8	-170.2	-77.5	-163.2	152.1	0	0	118.5	D73	D73-M75 PolarHBondContact O-N 3.45Å
76	N	55.5	Low	74.4	Confident	163 Å²	163	95.6 Å²	95.6	87%	0.872	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.8	15.2	-166.1	-78.5	-15.8	0	0	0	116.9	K74	K74-N76 PolarHBondContact O-N 3.01Å
77	E	53.4	Low	74.8	Confident	150 Å²	150	93.9 Å²	93.9	70%	0.701	47%	0.468	S	S	*	.	S	Bend	trans	-114.4	136	173.5	-71.2	179.9	178.1	0	0	111.4
78	T	51.6	Low	75.3	Confident	131 Å²	131	93 Å²	93	80%	0.804	46%	0.461	S	S	*	.			trans	-53.3	133.3	170.2	49.3	0	0	0	0	109.2	D80	T78-D80 PolarHBondContact O-N 2.7Å
79	P	47.9	Very low	75.8	Confident	97 Å²	97	89.8 Å²	89.8	63%	0.63	44%	0.444	S	S	*	.			trans	-65.2	101.7	-174.8	24.1	-31.5	0	0	0	109.9	M71 F81	M71-P79 HydrophobicContact SD-CB 4.2Å; P79-F81 PolarHBondContact O-N 2.97Å
80	D	53.5	Low	76.3	Confident	106 Å²	106	85.9 Å²	85.9	57%	0.567	42%	0.424	S	S	*	.			trans	-67.6	88.4	163.1	-164.3	20.9	0	0	0	105.5	M71 T78 R83	M71-D80 WeakPolarHBondContact CE-O 3.33Å; T78-D80 PolarHBondContact O-N 2.7Å; D80-R83 IonicContact OD2-NE 3.49Å; D80-R83 IonicContact OD2-NH2 3.6Å
81	F	54.4	Low	76.9	Confident	145 Å²	145	83 Å²	83	64%	0.636	41%	0.413	S	S	*	.			trans	-43.2	131.7	-176.3	-135.9	-91.9	0	0	0	108.7	P79 R83	P79-F81 PolarHBondContact O-N 2.97Å; F81-R83 PolarHBondContact O-N 3.49Å
82	P	62.4	Low	77.7	Confident	17 Å²	17	80.1 Å²	80.1	11%	0.11	40%	0.399	C	S	.	.			trans	-54.4	115	-171.2	16.9	-28.2	0	0	0	109.1	R64 A67	R64-P82 HydrophobicContact CB-CG 4.49Å; R64-P82 HydrophobicContact CG-CG 3.92Å; A67-P82 HydrophobicContact CB-CB 3.87Å; A67-P82 HydrophobicContact CB-CG 4.16Å
83	R	78.1	Confident	78.4	Confident	174 Å²	174	74.3 Å²	74.3	66%	0.657	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-47.7	150.8	178.1	-65.9	-176.8	-172.9	179.7	2.2	108.9	D80 F81	D80-R83 IonicContact OD2-NE 3.49Å; D80-R83 IonicContact OD2-NH2 3.6Å; F81-R83 PolarHBondContact O-N 3.49Å
84	G	91.6	Very high	79.1	Confident	12 Å²	12	68 Å²	68	12%	0.124	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-53.1	157	172	0	0	0	0	0	111.7	K86 N107 S109	G84-K86 PolarHBondContact O-N 3.35Å; G84-N107 CarbonylContact C-O 3.33Å; G84-N107 WeakPolarHBondContact CA-O 3.16Å; G84-S109 WeakPolarHBondContact O-CB 3.49Å; G84-S109 PolarHBondContact O-OG 3.32Å
85	L	96.9	Very high	80.2	Confident	4 Å²	4	61.5 Å²	61.5	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	128.4	-179.1	-61.1	178.5	0	0	0	110.3	V56 F59 I87 V105 N107 V108 S109 S110 D159	V56-L85 HydrophobicContact CG1-CD1 4.25Å; F59-L85 HydrophobicContact CD1-CD1 4.41Å; F59-L85 HydrophobicContact CD1-CD2 4.49Å; F59-L85 HydrophobicContact CE1-CD2 4Å; L85-I87 HydrophobicContact CB-CD1 4.25Å; L85-I87 HydrophobicContact CB-CG1 4.06Å; L85-V105 HydrophobicContact CD1-CG1 4.28Å; L85-N107 PolarHBondContact N-O 3.18Å; L85-V108 WeakPolarHBondContact O-CG1 3.44Å; L85-S109 PolarHBondContact O-N 2.91Å; L85-S109 PolarHBondContact O-OG 2.96Å; L85-S110 PolarHBondContact O-N 2.85Å; L85-D159 HydrophobicContact CD2-CB 3.99Å
86	K	97.6	Very high	81.7	Confident	37 Å²	37	53.8 Å²	53.8	16%	0.161	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	117.9	167	-167.4	-172	179.8	-177.6	0	108.9	G84 S110 E156 F158 D159 V160	G84-K86 PolarHBondContact O-N 3.35Å; K86-S110 WeakPolarHBondContact CA-O 3.48Å; K86-E156 PolarHBondContact NZ-O 3.48Å; K86-F158 HydrophobicContact CD-CD1 3.93Å; K86-F158 HydrophobicContact CD-CE1 4.18Å; K86-F158 HydrophobicContact CG-CD1 3.76Å; K86-F158 HydrophobicContact CG-CE1 4.2Å; K86-D159 PolarHBondContact N-OD2 2.83Å; K86-D159 PolarHBondContact O-N 2.61Å; K86-V160 PolarHBondContact O-N 2.91Å
87	I	98.8	Very high	83.7	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.6	-171.7	-52.1	-176.5	0	0	0	110.7	V56 L85 M101 V108 S110 I111 I112 V160	V56-I87 HydrophobicContact CG1-CD1 4.26Å; L85-I87 HydrophobicContact CB-CD1 4.25Å; L85-I87 HydrophobicContact CB-CG1 4.06Å; I87-M101 HydrophobicContact CD1-SD 4.32Å; I87-M101 HydrophobicContact CG2-CE 3.82Å; I87-M101 HydrophobicContact CG2-SD 3.83Å; I87-V108 HydrophobicContact CD1-CG1 4.19Å; I87-V108 HydrophobicContact CD1-CG2 4.02Å; I87-S110 PolarHBondContact N-O 2.78Å; I87-I111 HydrophobicContact CB-CG1 4.08Å; I87-I111 CarbonylContact O-C 3.29Å; I87-I111 WeakPolarHBondContact O-CA 3.4Å; I87-I112 PolarHBondContact O-N 2.91Å; I87-V160 CarbonylContact C-O 3.28Å; I87-V160 WeakPolarHBondContact CA-O 3.23Å; I87-V160 HydrophobicContact CB-CB 4.37Å; I87-V160 HydrophobicContact CG1-CB 4.02Å; I87-V160 HydrophobicContact CG1-CG2 4.25Å; I87-V160 HydrophobicContact CG2-CB 4.06Å; I87-V160 HydrophobicContact CG2-CG1 4.25Å
88	L	98.9	Very high	85.8	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125	168.2	173.7	63.5	0	0	0	109.8	A90 I112 L147 M148 F158 V160 V161 D162	L88-A90 HydrophobicContact CD2-CB 4.24Å; L88-A90 HydrophobicContact CG-CB 4.2Å; L88-I112 HydrophobicContact CD1-CB 3.92Å; L88-I112 HydrophobicContact CD1-CG2 3.81Å; L88-L147 HydrophobicContact CD1-CD2 3.8Å; L88-M148 HydrophobicContact CD2-CG 3.56Å; L88-M148 HydrophobicContact CD2-SD 4.38Å; L88-F158 HydrophobicContact CB-CD1 3.68Å; L88-F158 HydrophobicContact CB-CD2 3.94Å; L88-F158 HydrophobicContact CB-CE1 3.72Å; L88-F158 HydrophobicContact CB-CE2 3.96Å; L88-F158 HydrophobicContact CB-CG 3.81Å; L88-F158 HydrophobicContact CB-CZ 3.86Å; L88-F158 HydrophobicContact CD1-CZ 4.29Å; L88-F158 HydrophobicContact CD2-CD2 4.12Å; L88-F158 HydrophobicContact CD2-CE2 3.74Å; L88-F158 HydrophobicContact CD2-CZ 4.14Å; L88-F158 HydrophobicContact CG-CE2 4.34Å; L88-F158 HydrophobicContact CG-CZ 4.32Å; L88-V160 PolarHBondContact N-O 2.94Å; L88-V161 HydrophobicContact CB-CG2 4.26Å; L88-V161 HydrophobicContact CD2-CG1 4.24Å; L88-V161 HydrophobicContact CD2-CG2 4.48Å; L88-V161 WeakPolarHBondContact O-CA 3.11Å; L88-D162 PolarHBondContact O-N 3.41Å
89	E	98.7	Very high	88	Confident	4 Å²	4	32.9 Å²	32.9	2%	0.019	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	104.6	158.3	-175.1	178.9	-168.5	0	0	107.7	A92 R97 S98 M101 I112 N114	E89-A92 HydrophobicContact CB-CB 4.39Å; E89-A92 HydrophobicContact CG-CB 3.85Å; E89-R97 WeakPolarHBondContact OE1-CB 3.36Å; E89-R97 IonicContact OE1-NH1 2.77Å; E89-S98 WeakPolarHBondContact CB-OG 3.33Å; E89-S98 WeakPolarHBondContact OE2-CA 3.33Å; E89-S98 WeakPolarHBondContact OE2-CB 3.31Å; E89-S98 PolarHBondContact OE2-N 2.97Å; E89-S98 PolarHBondContact OE2-OG 3.12Å; E89-M101 HydrophobicContact CB-CE 4.31Å; E89-I112 PolarHBondContact N-O 3.04Å; E89-N114 PolarHBondContact O-N 2.97Å
90	A	98.6	Very high	90.4	Very high	1 Å²	1	28.3 Å²	28.3	1%	0.008	14%	0.137	C	C	.	.	S	Bend	trans	-77.7	-24.7	-167.2	0	0	0	0	0	113.8	L88 N114 A144 D162 I163	L88-A90 HydrophobicContact CD2-CB 4.24Å; L88-A90 HydrophobicContact CG-CB 4.2Å; A90-N114 CarbonylContact C-O 3.51Å; A90-N114 PolarHBondContact O-ND2 3.49Å; A90-A144 HydrophobicContact CB-CB 4.09Å; A90-D162 PolarHBondContact N-O 3.04Å; A90-D162 VanDerWaalsContact N-O 3.09Å; A90-I163 HydrophobicContact CB-CD1 3.71Å
91	L	97.8	Very high	92.5	Very high	44 Å²	44	23.3 Å²	23.3	23%	0.23	11%	0.111	C	C	.	.	S	Bend	trans	-134.1	77	-179.9	-54.1	105.5	0	0	0	109.8	N114 A144 I163 P165 F172	L91-N114 WeakPolarHBondContact CA-O 3.35Å; L91-A144 HydrophobicContact CG-CB 4.31Å; L91-I163 HydrophobicContact CD1-CG2 4.42Å; L91-P165 HydrophobicContact CD1-CB 4.2Å; L91-P165 HydrophobicContact CD2-CB 3.9Å; L91-F172 HydrophobicContact CD2-CE1 4.32Å; L91-F172 HydrophobicContact CD2-CE2 4.41Å; L91-F172 HydrophobicContact CD2-CZ 3.94Å
92	A	96.9	Very high	94.6	Very high	3 Å²	3	17 Å²	17	3%	0.025	9%	0.086	C	C	.	.			trans	-85.3	-20.8	-162.4	0	0	0	0	0	115.3	E89 S94 G95 A113 N114 I124	E89-A92 HydrophobicContact CB-CB 4.39Å; E89-A92 HydrophobicContact CG-CB 3.85Å; A92-S94 PolarHBondContact O-N 3.32Å; A92-G95 PolarHBondContact O-N 3.42Å; A92-A113 HydrophobicContact CB-CB 4.07Å; A92-N114 WeakPolarHBondContact CB-O 3.17Å; A92-N114 PolarHBondContact N-O 2.92Å; A92-I124 HydrophobicContact CB-CD1 3.7Å
93	A	94.6	Very high	96.3	Very high	27 Å²	27	19.4 Å²	19.4	22%	0.223	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.9	-99.3	-177.1	0	0	0	0	0	113.5	D115 I124	A93-D115 VanDerWaalsContact CA-OD2 3.26Å; A93-D115 WeakPolarHBondContact CA-OD2 3.39Å; A93-D115 PolarHBondContact N-OD2 3.19Å; A93-I124 WeakPolarHBondContact O-CD1 3.24Å; A93-I124 VanDerWaalsContact O-CG1 3.3Å; A93-I124 WeakPolarHBondContact O-CG1 3.49Å
94	S	95	Very high	97.2	Very high	4 Å²	4	11.6 Å²	11.6	3%	0.028	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-12.7	176.7	65	0	0	0	0	114	A92 I96 N127	A92-S94 PolarHBondContact O-N 3.32Å; S94-I96 VanDerWaalsContact C-N 3.28Å; S94-I96 PolarHBondContact O-N 3.33Å; S94-I96 PolarHBondContact OG-N 2.79Å; S94-N127 PolarHBondContact O-ND2 2.94Å
95	G	96.6	Very high	97.4	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	7%	0.065	C	C	.	.			trans	77.8	9.5	-175.8	0	0	0	0	0	113.8	A92 R97 S98 V99	A92-G95 PolarHBondContact O-N 3.42Å; G95-R97 VanDerWaalsContact C-N 3.27Å; G95-R97 PolarHBondContact O-N 3.47Å; G95-S98 WeakPolarHBondContact O-CB 3.4Å; G95-S98 PolarHBondContact O-N 2.8Å; G95-S98 VanDerWaalsContact O-N 3.15Å; G95-V99 WeakPolarHBondContact O-CG2 3.5Å; G95-V99 PolarHBondContact O-N 3.35Å
96	I	96.9	Very high	97.2	Very high	10 Å²	10	14.7 Å²	14.7	5%	0.051	9%	0.088	C	C	.	.	H	α-helix	trans	-56.4	-39.8	-176.5	-170.3	174.4	0	0	0	112.2	E28 V33 Y41 S94 R100	E28-I96 HydrophobicContact CB-CD1 4.21Å; E28-I96 HydrophobicContact CG-CD1 4.06Å; V33-I96 HydrophobicContact CG1-CB 4.15Å; V33-I96 HydrophobicContact CG1-CG1 4.04Å; V33-I96 HydrophobicContact CG2-CB 4.17Å; V33-I96 HydrophobicContact CG2-CD1 3.74Å; V33-I96 HydrophobicContact CG2-CG1 3.93Å; Y41-I96 HydrophobicContact CE2-CD1 4.02Å; S94-I96 VanDerWaalsContact C-N 3.28Å; S94-I96 PolarHBondContact O-N 3.33Å; S94-I96 PolarHBondContact OG-N 2.79Å; I96-R100 WeakPolarHBondContact O-CB 3.43Å; I96-R100 VanDerWaalsContact O-CG 3.23Å; I96-R100 WeakPolarHBondContact O-CG 3.48Å; I96-R100 PolarHBondContact O-N 3.27Å
97	R	97.2	Very high	97	Very high	6 Å²	6	16.3 Å²	16.3	2%	0.023	10%	0.098	C	C	.	.	H	α-helix	trans	-70.6	-43.1	178.4	-173.9	-178	-71.4	122.8	8.7	111.1	E89 G95 V99 R100 M101 D162 D164	E89-R97 WeakPolarHBondContact OE1-CB 3.36Å; E89-R97 IonicContact OE1-NH1 2.77Å; G95-R97 VanDerWaalsContact C-N 3.27Å; G95-R97 PolarHBondContact O-N 3.47Å; R97-V99 PolarHBondContact O-N 2.87Å; R97-R100 PolarHBondContact O-N 3.48Å; R97-M101 HydrophobicContact CG-CE 4.1Å; R97-M101 HydrophobicContact CG-CG 4.46Å; R97-M101 HydrophobicContact CG-SD 4.38Å; R97-M101 WeakPolarHBondContact O-CB 3.41Å; R97-M101 VanDerWaalsContact O-CG 3.3Å; R97-M101 WeakPolarHBondContact O-CG 3.19Å; R97-M101 PolarHBondContact O-N 2.97Å; R97-D162 WeakPolarHBondContact CD-OD2 3.35Å; R97-D162 IonicContact CZ-OD2 3.25Å; R97-D162 IonicContact NE-OD2 2.76Å; R97-D162 IonicContact NH1-OD2 2.85Å; R97-D162 PolarHBondContact NH1-OD2 3.23Å; R97-D164 IonicContact CZ-OD2 3.64Å; R97-D164 VanDerWaalsContact NH1-CB 3.27Å; R97-D164 IonicContact NH1-OD2 3.95Å; R97-D164 PolarHBondContact NH1-OD2 2.87Å; R97-D164 IonicContact NH2-OD2 3.57Å; R97-D164 PolarHBondContact NH2-OD2 3.39Å
98	S	98.5	Very high	96.9	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-56.4	-46.3	172	-75.6	0	0	0	0	113.1	E89 G95 M101 A102 I111 A113	E89-S98 WeakPolarHBondContact CB-OG 3.33Å; E89-S98 WeakPolarHBondContact OE2-CA 3.33Å; E89-S98 WeakPolarHBondContact OE2-CB 3.31Å; E89-S98 PolarHBondContact OE2-N 2.97Å; E89-S98 PolarHBondContact OE2-OG 3.12Å; G95-S98 WeakPolarHBondContact O-CB 3.4Å; G95-S98 PolarHBondContact O-N 2.8Å; G95-S98 VanDerWaalsContact O-N 3.15Å; S98-M101 PolarHBondContact O-N 2.9Å; S98-A102 PolarHBondContact O-N 2.95Å; S98-I111 WeakPolarHBondContact O-CD1 3.34Å; S98-I111 WeakPolarHBondContact OG-CG2 3.31Å; S98-A113 WeakPolarHBondContact OG-CB 3.49Å
99	V	98.3	Very high	96.8	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-62.4	-46	177.1	173.6	0	0	0	0	110.5	A31 G95 R97 M101 A102 L103 N127 V128 N131 V133	A31-V99 HydrophobicContact CB-CB 4.32Å; A31-V99 HydrophobicContact CB-CG1 3.62Å; G95-V99 WeakPolarHBondContact O-CG2 3.5Å; G95-V99 PolarHBondContact O-N 3.35Å; R97-V99 PolarHBondContact O-N 2.87Å; V99-M101 PolarHBondContact O-N 2.68Å; V99-A102 WeakPolarHBondContact O-CB 3.35Å; V99-A102 PolarHBondContact O-N 2.73Å; V99-L103 HydrophobicContact CG1-CD1 3.87Å; V99-L103 HydrophobicContact CG1-CG 4.49Å; V99-L103 WeakPolarHBondContact O-CG 3.29Å; V99-L103 PolarHBondContact O-N 2.81Å; V99-N127 HydrophobicContact CG2-CB 4.4Å; V99-V128 HydrophobicContact CG2-CG2 4.37Å; V99-N131 HydrophobicContact CG1-CB 3.6Å; V99-V133 HydrophobicContact CG1-CG2 4.38Å; V99-V133 HydrophobicContact CG2-CG2 4.27Å
100	R	97.8	Very high	96.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-62.4	-41.5	176.1	-71.9	-171.4	67.7	-169.2	-7.1	112.5	E28 A31 D50 I53 I96 R97 A102 L103 E104	E28-R100 IonicContact OE2-NH1 2.96Å; E28-R100 PolarHBondContact OE2-NH1 3.41Å; A31-R100 HydrophobicContact CB-CB 4.5Å; A31-R100 HydrophobicContact CB-CG 3.35Å; D50-R100 IonicContact OD1-CZ 3.62Å; D50-R100 IonicContact OD1-NH1 3.54Å; D50-R100 PolarHBondContact OD1-NH1 2.86Å; D50-R100 IonicContact OD1-NH2 3.75Å; D50-R100 PolarHBondContact OD1-NH2 3.45Å; I53-R100 HydrophobicContact CD1-CB 3.86Å; I53-R100 HydrophobicContact CG1-CB 4.18Å; I96-R100 WeakPolarHBondContact O-CB 3.43Å; I96-R100 VanDerWaalsContact O-CG 3.23Å; I96-R100 WeakPolarHBondContact O-CG 3.48Å; I96-R100 PolarHBondContact O-N 3.27Å; R97-R100 PolarHBondContact O-N 3.48Å; R100-A102 VanDerWaalsContact C-N 3.3Å; R100-A102 PolarHBondContact O-N 3.22Å; R100-L103 PolarHBondContact O-N 3.49Å; R100-E104 WeakPolarHBondContact CG-OE1 3.45Å; R100-E104 IonicContact CZ-OE1 2.91Å; R100-E104 IonicContact CZ-OE2 2.77Å; R100-E104 IonicContact NE-OE1 3.98Å; R100-E104 PolarHBondContact NE-OE1 3.5Å; R100-E104 IonicContact NE-OE2 2.89Å; R100-E104 PolarHBondContact NE-OE2 3.31Å; R100-E104 IonicContact NH2-OE1 2.99Å; R100-E104 IonicContact NH2-OE2 3.81Å; R100-E104 PolarHBondContact NH2-OE2 3.08Å; R100-E104 WeakPolarHBondContact O-CA 3.42Å; R100-E104 WeakPolarHBondContact O-CB 3.46Å; R100-E104 WeakPolarHBondContact O-CG 3.47Å; R100-E104 PolarHBondContact O-N 3.22Å
101	M	98.1	Very high	96.7	Very high	1 Å²	1	21.6 Å²	21.6	1%	0.005	14%	0.135	C	C	.	.	H	α-helix	trans	-60.7	-40.8	174.5	-73.1	-174.7	-61.1	0	0	111.4	I53 I87 E89 R97 S98 V99 L103 V105 I111	I53-M101 HydrophobicContact CD1-CB 4.23Å; I53-M101 HydrophobicContact CD1-CG 3.45Å; I53-M101 VanDerWaalsContact CD1-CG 3.45Å; I87-M101 HydrophobicContact CD1-SD 4.32Å; I87-M101 HydrophobicContact CG2-CE 3.82Å; I87-M101 HydrophobicContact CG2-SD 3.83Å; E89-M101 HydrophobicContact CB-CE 4.31Å; R97-M101 HydrophobicContact CG-CE 4.1Å; R97-M101 HydrophobicContact CG-CG 4.46Å; R97-M101 HydrophobicContact CG-SD 4.38Å; R97-M101 WeakPolarHBondContact O-CB 3.41Å; R97-M101 VanDerWaalsContact O-CG 3.3Å; R97-M101 WeakPolarHBondContact O-CG 3.19Å; R97-M101 PolarHBondContact O-N 2.97Å; S98-M101 PolarHBondContact O-N 2.9Å; V99-M101 PolarHBondContact O-N 2.68Å; M101-L103 VanDerWaalsContact C-N 3.34Å; M101-L103 PolarHBondContact O-N 2.96Å; M101-V105 HydrophobicContact CB-CG2 4.26Å; M101-V105 HydrophobicContact CG-CG2 4.25Å; M101-V105 VanDerWaalsContact O-CB 3.24Å; M101-V105 WeakPolarHBondContact O-CB 3.4Å; M101-V105 PolarHBondContact O-N 3.08Å; M101-V105 VanDerWaalsContact O-N 3.1Å; M101-I111 HydrophobicContact CB-CD1 3.81Å; M101-I111 HydrophobicContact CE-CG2 4.47Å
102	A	98.1	Very high	96.8	Very high	14 Å²	14	20.4 Å²	20.4	12%	0.116	13%	0.128	C	C	.	.	H	α-helix	trans	-64.9	-35.6	177	0	0	0	0	0	113.3	S98 V99 R100 I111 V133 I136 V137	S98-A102 PolarHBondContact O-N 2.95Å; V99-A102 WeakPolarHBondContact O-CB 3.35Å; V99-A102 PolarHBondContact O-N 2.73Å; R100-A102 VanDerWaalsContact C-N 3.3Å; R100-A102 PolarHBondContact O-N 3.22Å; A102-I111 HydrophobicContact CB-CD1 3.81Å; A102-V133 HydrophobicContact CB-CB 3.76Å; A102-V133 HydrophobicContact CB-CG1 3.75Å; A102-V133 HydrophobicContact CB-CG2 4.25Å; A102-I136 HydrophobicContact CB-CG2 4.35Å; A102-V137 HydrophobicContact CB-CG2 3.62Å
103	L	97.3	Very high	96.9	Very high	66 Å²	66	20.2 Å²	20.2	35%	0.346	13%	0.127	S	C	.	.	H	α-helix	trans	-87.6	-34.1	-176.9	-66.5	173.3	0	0	0	113.7	C30 A31 V99 R100 M101 N131 V133	C30-L103 HydrophobicContact CB-CB 3.91Å; C30-L103 HydrophobicContact CB-CD1 4.03Å; C30-L103 WeakPolarHBondContact O-CD1 3.26Å; A31-L103 HydrophobicContact CB-CD1 4.12Å; V99-L103 HydrophobicContact CG1-CD1 3.87Å; V99-L103 HydrophobicContact CG1-CG 4.49Å; V99-L103 WeakPolarHBondContact O-CG 3.29Å; V99-L103 PolarHBondContact O-N 2.81Å; R100-L103 PolarHBondContact O-N 3.49Å; M101-L103 VanDerWaalsContact C-N 3.34Å; M101-L103 PolarHBondContact O-N 2.96Å; L103-N131 HydrophobicContact CD1-CB 4.33Å; L103-V133 HydrophobicContact CD2-CG1 3.48Å; L103-V133 VanDerWaalsContact CD2-CG1 3.48Å; L103-V133 HydrophobicContact CG-CG1 3.83Å
104	E	96.8	Very high	97.1	Very high	11 Å²	11	19 Å²	19	5%	0.051	12%	0.116	C	C	.	.	H	α-helix	trans	-114.2	-18.9	-164.6	-59	170.5	-145.5	0	0	113.3	C30 I53 N57 R100 H392	C30-E104 HydrophobicContact CB-CG 3.83Å; C30-E104 PolarHBondContact N-OE1 3.22Å; I53-E104 HydrophobicContact CG2-CB 3.57Å; N57-E104 PolarHBondContact ND2-O 3.18Å; R100-E104 WeakPolarHBondContact CG-OE1 3.45Å; R100-E104 IonicContact CZ-OE1 2.91Å; R100-E104 IonicContact CZ-OE2 2.77Å; R100-E104 IonicContact NE-OE1 3.98Å; R100-E104 PolarHBondContact NE-OE1 3.5Å; R100-E104 IonicContact NE-OE2 2.89Å; R100-E104 PolarHBondContact NE-OE2 3.31Å; R100-E104 IonicContact NH2-OE1 2.99Å; R100-E104 IonicContact NH2-OE2 3.81Å; R100-E104 PolarHBondContact NH2-OE2 3.08Å; R100-E104 WeakPolarHBondContact O-CA 3.42Å; R100-E104 WeakPolarHBondContact O-CB 3.46Å; R100-E104 WeakPolarHBondContact O-CG 3.47Å; R100-E104 PolarHBondContact O-N 3.22Å; E104-H392 IonicContact OE2-CD2 3.94Å; E104-H392 IonicContact OE2-NE2 3.73Å
105	V	96.4	Very high	97.2	Very high	10 Å²	10	20.1 Å²	20.1	6%	0.061	12%	0.122	C	C	.	.	S	Bend	trans	-90.8	125.6	176.2	178.2	0	0	0	0	110.3	I53 V56 N57 L85 M101 V108	I53-V105 HydrophobicContact CD1-CG2 4.29Å; I53-V105 HydrophobicContact CG2-CG2 4.22Å; V56-V105 HydrophobicContact CB-CG2 4.18Å; V56-V105 HydrophobicContact CG1-CB 4.45Å; V56-V105 HydrophobicContact CG1-CG1 3.7Å; V56-V105 HydrophobicContact CG1-CG2 3.88Å; N57-V105 WeakPolarHBondContact OD1-CA 3.44Å; L85-V105 HydrophobicContact CD1-CG1 4.28Å; M101-V105 HydrophobicContact CB-CG2 4.26Å; M101-V105 HydrophobicContact CG-CG2 4.25Å; M101-V105 VanDerWaalsContact O-CB 3.24Å; M101-V105 WeakPolarHBondContact O-CB 3.4Å; M101-V105 PolarHBondContact O-N 3.08Å; M101-V105 VanDerWaalsContact O-N 3.1Å; V105-V108 HydrophobicContact CB-CG2 3.72Å; V105-V108 HydrophobicContact CG1-CG2 3.57Å
106	S	92.2	Very high	97.2	Very high	71 Å²	71	24.9 Å²	24.9	50%	0.497	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	141	176.9	62.1	0	0	0	0	112.3	N57	N57-S106 PolarHBondContact OD1-N 3.22Å; N57-S106 PolarHBondContact OD1-OG 3.3Å
107	N	92.9	Very high	97.1	Very high	71 Å²	71	26 Å²	26	38%	0.38	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	48.8	173	-167.2	52.3	0	0	0	114.5	R64 G84 L85	R64-N107 PolarHBondContact NH2-ND2 3.12Å; G84-N107 CarbonylContact C-O 3.33Å; G84-N107 WeakPolarHBondContact CA-O 3.16Å; L85-N107 PolarHBondContact N-O 3.18Å
108	V	97	Very high	97	Very high	21 Å²	21	29.5 Å²	29.5	13%	0.127	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	131.1	169.7	179.3	0	0	0	0	109.5	L85 I87 V105 I111 I136	L85-V108 WeakPolarHBondContact O-CG1 3.44Å; I87-V108 HydrophobicContact CD1-CG1 4.19Å; I87-V108 HydrophobicContact CD1-CG2 4.02Å; V105-V108 HydrophobicContact CB-CG2 3.72Å; V105-V108 HydrophobicContact CG1-CG2 3.57Å; V108-I111 HydrophobicContact CG1-CD1 3.88Å; V108-I111 HydrophobicContact CG1-CG1 3.62Å; V108-I136 HydrophobicContact CB-CG2 4.34Å; V108-I136 HydrophobicContact CG1-CG2 3.68Å
109	S	96.5	Very high	96.8	Very high	56 Å²	56	35.3 Å²	35.3	39%	0.392	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-42.4	174.7	64.4	0	0	0	0	112.2	G84 L85	G84-S109 WeakPolarHBondContact O-CB 3.49Å; G84-S109 PolarHBondContact O-OG 3.32Å; L85-S109 PolarHBondContact O-N 2.91Å; L85-S109 PolarHBondContact O-OG 2.96Å
110	S	98.2	Very high	96.7	Very high	39 Å²	39	36.1 Å²	36.1	27%	0.273	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	148.7	-177.6	52.2	0	0	0	0	111.4	L85 K86 I87 I136	L85-S110 PolarHBondContact O-N 2.85Å; K86-S110 WeakPolarHBondContact CA-O 3.48Å; I87-S110 PolarHBondContact N-O 2.78Å; S110-I136 CarbonylContact C-O 3.54Å; S110-I136 WeakPolarHBondContact CA-O 3.41Å
111	I	98.8	Very high	96.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	132.5	176.1	-61.1	165.2	0	0	0	107.8	I87 S98 M101 A102 V108 I136 V137 S138	I87-I111 HydrophobicContact CB-CG1 4.08Å; I87-I111 CarbonylContact O-C 3.29Å; I87-I111 WeakPolarHBondContact O-CA 3.4Å; S98-I111 WeakPolarHBondContact O-CD1 3.34Å; S98-I111 WeakPolarHBondContact OG-CG2 3.31Å; M101-I111 HydrophobicContact CB-CD1 3.81Å; M101-I111 HydrophobicContact CE-CG2 4.47Å; A102-I111 HydrophobicContact CB-CD1 3.81Å; V108-I111 HydrophobicContact CG1-CD1 3.88Å; V108-I111 HydrophobicContact CG1-CG1 3.62Å; I111-I136 HydrophobicContact CD1-CG2 4.06Å; I111-I136 HydrophobicContact CG1-CG2 4.15Å; I111-I136 PolarHBondContact N-O 3.23Å; I111-V137 HydrophobicContact CB-CG1 4.49Å; I111-V137 HydrophobicContact CB-CG2 4.21Å; I111-V137 HydrophobicContact CD1-CG2 4.09Å; I111-V137 HydrophobicContact CG2-CG1 4.4Å; I111-S138 PolarHBondContact O-N 3.2Å; I111-S138 PolarHBondContact O-OG 3.04Å; I111-S138 VanDerWaalsContact O-OG 3.11Å
112	I	98.7	Very high	96.5	Very high	18 Å²	18	38.5 Å²	38.5	9%	0.092	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	116.7	164.9	-63.6	-177.6	0	0	0	107.9	I87 L88 E89 S138 V140 L147 F158	I87-I112 PolarHBondContact O-N 2.91Å; L88-I112 HydrophobicContact CD1-CB 3.92Å; L88-I112 HydrophobicContact CD1-CG2 3.81Å; E89-I112 PolarHBondContact N-O 3.04Å; I112-S138 WeakPolarHBondContact CA-O 3.36Å; I112-V140 HydrophobicContact CG2-CB 4.24Å; I112-V140 HydrophobicContact CG2-CG2 3.74Å; I112-L147 HydrophobicContact CG2-CD2 4.05Å; I112-F158 HydrophobicContact CB-CE1 4.47Å; I112-F158 HydrophobicContact CD1-CE1 3.86Å; I112-F158 HydrophobicContact CD1-CZ 3.9Å; I112-F158 HydrophobicContact CG1-CE1 4.26Å
113	A	98.7	Very high	96.5	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	105.8	171.8	0	0	0	0	0	108.8	A92 S98 I124 V137 S138 T139 V140	A92-A113 HydrophobicContact CB-CB 4.07Å; S98-A113 WeakPolarHBondContact OG-CB 3.49Å; A113-I124 HydrophobicContact CB-CG2 3.79Å; A113-V137 HydrophobicContact CB-CG1 4.07Å; A113-S138 PolarHBondContact N-O 3.32Å; A113-T139 WeakPolarHBondContact O-CA 3.48Å; A113-V140 PolarHBondContact O-N 3.15Å
114	N	98.6	Very high	96.5	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	140.4	-177	179.8	74.7	0	0	0	111.9	E89 A90 L91 A92 V140 G142 L147	E89-N114 PolarHBondContact O-N 2.97Å; A90-N114 CarbonylContact C-O 3.51Å; A90-N114 PolarHBondContact O-ND2 3.49Å; L91-N114 WeakPolarHBondContact CA-O 3.35Å; A92-N114 WeakPolarHBondContact CB-O 3.17Å; A92-N114 PolarHBondContact N-O 2.92Å; N114-V140 WeakPolarHBondContact CA-O 3.39Å; N114-V140 HydrophobicContact CB-CB 4.48Å; N114-V140 WeakPolarHBondContact OD1-CG1 3.28Å; N114-V140 PolarHBondContact OD1-O 3.46Å; N114-G142 PolarHBondContact ND2-O 2.52Å; N114-G142 PolarHBondContact OD1-N 2.68Å; N114-G142 PolarHBondContact OD1-O 3.25Å; N114-L147 HydrophobicContact CB-CD2 3.43Å; N114-L147 VanDerWaalsContact CB-CD2 3.43Å; N114-L147 VanDerWaalsContact CG-CD2 3.44Å
115	D	97.6	Very high	96.5	Very high	27 Å²	27	39.1 Å²	39.1	14%	0.144	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157.1	164.3	-156.7	-76.5	0	0	0	110.5	A93 S117 A120 V121 I124 V140 C141 G142	A93-D115 VanDerWaalsContact CA-OD2 3.26Å; A93-D115 WeakPolarHBondContact CA-OD2 3.39Å; A93-D115 PolarHBondContact N-OD2 3.19Å; D115-S117 PolarHBondContact OD1-N 3.02Å; D115-A120 HydrophobicContact CB-CB 3.96Å; D115-V121 HydrophobicContact CB-CG2 4.05Å; D115-I124 HydrophobicContact CB-CD1 4.27Å; D115-V140 PolarHBondContact N-O 2.84Å; D115-C141 WeakPolarHBondContact O-CA 3.42Å; D115-G142 PolarHBondContact O-N 3.29Å
116	L	96.5	Very high	96.6	Very high	101 Å²	101	44.7 Å²	44.7	53%	0.529	25%	0.254	S	S	.	.	S	Bend	trans	-78.2	-29.2	177	-174.7	66.4	0	0	0	111.7	P118 D143	L116-P118 WeakPolarHBondContact O-CD 3.38Å; L116-D143 HydrophobicContact CD1-CB 4.36Å
117	S	94.9	Very high	96.9	Very high	33 Å²	33	41.3 Å²	41.3	23%	0.231	23%	0.231	C	C	.	.			trans	-84.6	123.3	-177.8	163.2	0	0	0	0	111.3	D115 E119 A120 V121	D115-S117 PolarHBondContact OD1-N 3.02Å; S117-E119 PolarHBondContact O-N 2.83Å; S117-E119 PolarHBondContact OG-N 3.25Å; S117-E119 PolarHBondContact OG-OE2 2.76Å; S117-A120 WeakPolarHBondContact O-CB 3.2Å; S117-A120 PolarHBondContact O-N 3.46Å; S117-A120 VanDerWaalsContact O-N 3.12Å; S117-A120 PolarHBondContact OG-N 3.44Å; S117-A120 VanDerWaalsContact OG-N 3.15Å; S117-V121 WeakPolarHBondContact O-CG2 3.33Å; S117-V121 PolarHBondContact O-N 3.1Å
118	P	96.2	Very high	97.2	Very high	79 Å²	79	38.3 Å²	38.3	51%	0.513	22%	0.215	S	C	.	.	H	α-helix	trans	-57.1	-35	172.4	-25.6	34.9	0	0	0	113.1	L116 V121 A122	L116-P118 WeakPolarHBondContact O-CD 3.38Å; P118-V121 PolarHBondContact O-N 3.13Å; P118-A122 WeakPolarHBondContact O-CB 3.41Å; P118-A122 PolarHBondContact O-N 2.85Å
119	E	94.1	Very high	97.2	Very high	123 Å²	123	42.1 Å²	42.1	58%	0.575	24%	0.238	S	C	*	.	H	α-helix	trans	-67.1	-40.7	176.7	-57.8	82.2	178.8	0	0	112.2	S117 A122 L123	S117-E119 PolarHBondContact O-N 2.83Å; S117-E119 PolarHBondContact OG-N 3.25Å; S117-E119 PolarHBondContact OG-OE2 2.76Å; E119-A122 PolarHBondContact O-N 2.86Å; E119-L123 PolarHBondContact O-N 2.81Å
120	A	94.5	Very high	97.3	Very high	16 Å²	16	43.3 Å²	43.3	13%	0.132	24%	0.237	C	C	.	.	H	α-helix	trans	-63	-45.3	173.4	0	0	0	0	0	110.6	D115 S117 A122 L123 I124	D115-A120 HydrophobicContact CB-CB 3.96Å; S117-A120 WeakPolarHBondContact O-CB 3.2Å; S117-A120 PolarHBondContact O-N 3.46Å; S117-A120 VanDerWaalsContact O-N 3.12Å; S117-A120 PolarHBondContact OG-N 3.44Å; S117-A120 VanDerWaalsContact OG-N 3.15Å; A120-A122 PolarHBondContact O-N 2.86Å; A120-L123 WeakPolarHBondContact O-CA 3.44Å; A120-L123 WeakPolarHBondContact O-CB 3.4Å; A120-L123 PolarHBondContact O-N 3.26Å; A120-I124 VanDerWaalsContact O-CG1 3.28Å; A120-I124 WeakPolarHBondContact O-CG1 3.3Å; A120-I124 PolarHBondContact O-N 3.32Å
121	V	96.9	Very high	97.3	Very high	10 Å²	10	42.4 Å²	42.4	6%	0.061	23%	0.229	C	C	.	.	H	α-helix	trans	-60.7	-44.6	176.8	173.7	0	0	0	0	112.3	D115 S117 P118 L123 I124 Q125 V140 C141	D115-V121 HydrophobicContact CB-CG2 4.05Å; S117-V121 WeakPolarHBondContact O-CG2 3.33Å; S117-V121 PolarHBondContact O-N 3.1Å; P118-V121 PolarHBondContact O-N 3.13Å; V121-L123 PolarHBondContact O-N 2.94Å; V121-I124 PolarHBondContact O-N 2.99Å; V121-Q125 WeakPolarHBondContact O-CG 3.26Å; V121-Q125 PolarHBondContact O-N 2.95Å; V121-V140 WeakPolarHBondContact CG2-O 3.49Å; V121-C141 HydrophobicContact CB-CB 4.34Å; V121-C141 HydrophobicContact CG1-CB 4.3Å; V121-C141 HydrophobicContact CG2-CB 3.8Å
122	A	96.7	Very high	97.2	Very high	41 Å²	41	49.2 Å²	49.2	34%	0.339	27%	0.266	S	S	.	.	H	α-helix	trans	-61.3	-35.1	174.8	0	0	0	0	0	112	P118 E119 A120 K126	P118-A122 WeakPolarHBondContact O-CB 3.41Å; P118-A122 PolarHBondContact O-N 2.85Å; E119-A122 PolarHBondContact O-N 2.86Å; A120-A122 PolarHBondContact O-N 2.86Å; A122-K126 WeakPolarHBondContact O-CG 3.49Å; A122-K126 PolarHBondContact O-N 2.92Å
123	L	96.5	Very high	97.2	Very high	10 Å²	10	48.7 Å²	48.7	5%	0.052	26%	0.263	C	S	.	.	H	α-helix	trans	-68.2	-44.3	173.9	180	62.7	0	0	0	112.2	M34 P36 V39 E119 A120 V121 Q125 K126 N127	M34-L123 HydrophobicContact CB-CD1 4.39Å; M34-L123 HydrophobicContact CE-CD1 3.44Å; M34-L123 VanDerWaalsContact CE-CD1 3.44Å; P36-L123 HydrophobicContact CG-CD1 4.01Å; V39-L123 HydrophobicContact CB-CD2 4.23Å; V39-L123 HydrophobicContact CG1-CD2 3.57Å; V39-L123 HydrophobicContact CG2-CD2 3.71Å; E119-L123 PolarHBondContact O-N 2.81Å; A120-L123 WeakPolarHBondContact O-CA 3.44Å; A120-L123 WeakPolarHBondContact O-CB 3.4Å; A120-L123 PolarHBondContact O-N 3.26Å; V121-L123 PolarHBondContact O-N 2.94Å; L123-Q125 VanDerWaalsContact C-N 3.28Å; L123-Q125 PolarHBondContact O-N 2.93Å; L123-K126 WeakPolarHBondContact O-CB 3.28Å; L123-K126 PolarHBondContact O-N 3.16Å; L123-N127 PolarHBondContact O-N 3.38Å
124	I	97.5	Very high	97.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-56	-47.1	175.4	-63.6	164.4	0	0	0	109.5	A92 A93 A113 D115 A120 V121 K126 N127 V128 T139	A92-I124 HydrophobicContact CB-CD1 3.7Å; A93-I124 WeakPolarHBondContact O-CD1 3.24Å; A93-I124 VanDerWaalsContact O-CG1 3.3Å; A93-I124 WeakPolarHBondContact O-CG1 3.49Å; A113-I124 HydrophobicContact CB-CG2 3.79Å; D115-I124 HydrophobicContact CB-CD1 4.27Å; A120-I124 VanDerWaalsContact O-CG1 3.28Å; A120-I124 WeakPolarHBondContact O-CG1 3.3Å; A120-I124 PolarHBondContact O-N 3.32Å; V121-I124 PolarHBondContact O-N 2.99Å; I124-K126 VanDerWaalsContact C-N 3.32Å; I124-K126 PolarHBondContact O-N 2.89Å; I124-N127 PolarHBondContact O-N 2.84Å; I124-N127 VanDerWaalsContact O-N 3.12Å; I124-V128 HydrophobicContact CG2-CG2 4.05Å; I124-V128 WeakPolarHBondContact O-CB 3.35Å; I124-V128 VanDerWaalsContact O-CG2 3.27Å; I124-V128 WeakPolarHBondContact O-CG2 3.46Å; I124-V128 PolarHBondContact O-N 2.84Å; I124-T139 HydrophobicContact CB-CG2 4.08Å; I124-T139 HydrophobicContact CG2-CG2 3.47Å; I124-T139 VanDerWaalsContact CG2-CG2 3.47Å
125	Q	98.3	Very high	97.1	Very high	94 Å²	94	56.3 Å²	56.3	44%	0.439	33%	0.325	S	S	.	.	H	α-helix	trans	-58.3	-41.7	178.7	-71.5	173.7	-12	0	0	112.8	V121 L123 V128 T129 T139	V121-Q125 WeakPolarHBondContact O-CG 3.26Å; V121-Q125 PolarHBondContact O-N 2.95Å; L123-Q125 VanDerWaalsContact C-N 3.28Å; L123-Q125 PolarHBondContact O-N 2.93Å; Q125-V128 PolarHBondContact O-N 3.45Å; Q125-T129 WeakPolarHBondContact O-CB 3.19Å; Q125-T129 PolarHBondContact O-N 3.5Å; Q125-T129 PolarHBondContact O-OG1 3.4Å; Q125-T139 HydrophobicContact CG-CG2 3.68Å; Q125-T139 WeakPolarHBondContact CG-OG1 3.21Å; Q125-T139 PolarHBondContact NE2-OG1 3.08Å
126	K	97.7	Very high	97.1	Very high	127 Å²	127	57.1 Å²	57.1	55%	0.552	33%	0.329	S	S	*	.	H	α-helix	trans	-63.4	-44.7	174.8	-70.2	177.2	-175.3	-178.4	0	111.5	M34 A122 L123 I124 T129 H130	M34-K126 HydrophobicContact CE-CB 4.11Å; M34-K126 HydrophobicContact CE-CD 3.48Å; M34-K126 VanDerWaalsContact CE-CD 3.48Å; M34-K126 HydrophobicContact CE-CG 4.45Å; A122-K126 WeakPolarHBondContact O-CG 3.49Å; A122-K126 PolarHBondContact O-N 2.92Å; L123-K126 WeakPolarHBondContact O-CB 3.28Å; L123-K126 PolarHBondContact O-N 3.16Å; I124-K126 VanDerWaalsContact C-N 3.32Å; I124-K126 PolarHBondContact O-N 2.89Å; K126-T129 PolarHBondContact O-N 3.4Å; K126-H130 WeakPolarHBondContact O-CB 3.4Å; K126-H130 PolarHBondContact O-N 2.9Å
127	N	98	Very high	97.2	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-66.2	-39.6	178.3	-72.8	-24.5	0	0	0	112.5	V33 M34 S94 V99 L123 I124 T129 H130 N131	V33-N127 HydrophobicContact CB-CB 4.49Å; V33-N127 HydrophobicContact CG1-CB 4.15Å; M34-N127 VanDerWaalsContact CB-OD1 3.29Å; M34-N127 WeakPolarHBondContact CB-OD1 3.39Å; M34-N127 PolarHBondContact N-OD1 2.87Å; M34-N127 PolarHBondContact O-ND2 3.38Å; S94-N127 PolarHBondContact O-ND2 2.94Å; V99-N127 HydrophobicContact CG2-CB 4.4Å; L123-N127 PolarHBondContact O-N 3.38Å; I124-N127 PolarHBondContact O-N 2.84Å; I124-N127 VanDerWaalsContact O-N 3.12Å; N127-T129 VanDerWaalsContact C-N 3.33Å; N127-H130 PolarHBondContact O-N 2.84Å; N127-N131 PolarHBondContact O-N 3.46Å; N127-N131 PolarHBondContact O-ND2 2.94Å
128	V	98.5	Very high	97.4	Very high	8 Å²	8	53.8 Å²	53.8	5%	0.048	31%	0.314	C	S	.	.	H	α-helix	trans	-61	-43.7	174.5	165.1	0	0	0	0	111.1	V99 I124 Q125 N132 V133 G134 V137	V99-V128 HydrophobicContact CG2-CG2 4.37Å; I124-V128 HydrophobicContact CG2-CG2 4.05Å; I124-V128 WeakPolarHBondContact O-CB 3.35Å; I124-V128 VanDerWaalsContact O-CG2 3.27Å; I124-V128 WeakPolarHBondContact O-CG2 3.46Å; I124-V128 PolarHBondContact O-N 2.84Å; Q125-V128 PolarHBondContact O-N 3.45Å; V128-N132 PolarHBondContact O-N 2.87Å; V128-V133 HydrophobicContact CB-CG2 4.34Å; V128-V133 HydrophobicContact CG1-CG2 4.15Å; V128-V133 HydrophobicContact CG2-CG2 4.38Å; V128-V133 PolarHBondContact O-N 2.93Å; V128-G134 VanDerWaalsContact CG1-CA 3.44Å; V128-V137 HydrophobicContact CG1-CB 4.14Å; V128-V137 HydrophobicContact CG2-CB 3.81Å; V128-V137 HydrophobicContact CG2-CG1 3.54Å
129	T	98.2	Very high	97.5	Very high	100 Å²	100	51.7 Å²	51.7	61%	0.613	30%	0.299	S	S	*	.	H	α-helix	trans	-66.5	-47.5	176.4	-53.9	0	0	0	0	111	Q125 K126 N127 N131 N132	Q125-T129 WeakPolarHBondContact O-CB 3.19Å; Q125-T129 PolarHBondContact O-N 3.5Å; Q125-T129 PolarHBondContact O-OG1 3.4Å; K126-T129 PolarHBondContact O-N 3.4Å; N127-T129 VanDerWaalsContact C-N 3.33Å; T129-N131 VanDerWaalsContact C-N 3.26Å; T129-N131 PolarHBondContact O-N 2.88Å; T129-N132 PolarHBondContact O-N 3.35Å
130	H	97.9	Very high	97.7	Very high	81 Å²	81	48 Å²	48	38%	0.375	29%	0.285	S	S	.	.	H	α-helix	trans	-57	-38	179.6	-175.5	79.2	0	0	0	112.9	F25 E32 K126 N127	F25-H130 AromaticContact CD1-NE2 3.99Å; F25-H130 AromaticContact CE1-CE1 3.53Å; F25-H130 AromaticContact CE1-ND1 3.88Å; F25-H130 AromaticContact CE1-NE2 3.68Å; E32-H130 PolarHBondContact O-CD2 3.28Å; E32-H130 IonicContact OE2-CD2 2.98Å; E32-H130 IonicContact OE2-CE1 3.96Å; E32-H130 IonicContact OE2-NE2 3.82Å; E32-H130 PolarHBondContact OE2-NE2 2.88Å; K126-H130 WeakPolarHBondContact O-CB 3.4Å; K126-H130 PolarHBondContact O-N 2.9Å; N127-H130 PolarHBondContact O-N 2.84Å
131	N	98.2	Very high	97.9	Very high	21 Å²	21	50.5 Å²	50.5	11%	0.112	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	2.8	179.5	-69.6	-93	0	0	0	113.6	E32 V99 L103 N127 T129 V133	E32-N131 PolarHBondContact N-OD1 3.03Å; E32-N131 PolarHBondContact O-ND2 2.81Å; E32-N131 PolarHBondContact O-OD1 3.03Å; V99-N131 HydrophobicContact CG1-CB 3.6Å; L103-N131 HydrophobicContact CD1-CB 4.33Å; N127-N131 PolarHBondContact O-N 3.46Å; N127-N131 PolarHBondContact O-ND2 2.94Å; T129-N131 VanDerWaalsContact C-N 3.26Å; T129-N131 PolarHBondContact O-N 2.88Å; N131-V133 VanDerWaalsContact C-N 3.29Å; N131-V133 HydrophobicContact CB-CG1 4.38Å; N131-V133 HydrophobicContact CB-CG2 4.21Å; N131-V133 PolarHBondContact O-N 3.43Å
132	N	98.2	Very high	97.9	Very high	142 Å²	142	51 Å²	51	76%	0.759	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.3	36.9	-178.7	-55.9	-63.3	0	0	0	114.2	V128 T129	V128-N132 PolarHBondContact O-N 2.87Å; T129-N132 PolarHBondContact O-N 3.35Å
133	V	98.3	Very high	98	Very high	7 Å²	7	52.1 Å²	52.1	4%	0.042	31%	0.308	C	S	.	.			trans	-108.3	13.7	-178.4	-64.8	0	0	0	0	113.9	V99 A102 L103 V128 N131 S135 I136 V137	V99-V133 HydrophobicContact CG1-CG2 4.38Å; V99-V133 HydrophobicContact CG2-CG2 4.27Å; A102-V133 HydrophobicContact CB-CB 3.76Å; A102-V133 HydrophobicContact CB-CG1 3.75Å; A102-V133 HydrophobicContact CB-CG2 4.25Å; L103-V133 HydrophobicContact CD2-CG1 3.48Å; L103-V133 VanDerWaalsContact CD2-CG1 3.48Å; L103-V133 HydrophobicContact CG-CG1 3.83Å; V128-V133 HydrophobicContact CB-CG2 4.34Å; V128-V133 HydrophobicContact CG1-CG2 4.15Å; V128-V133 HydrophobicContact CG2-CG2 4.38Å; V128-V133 PolarHBondContact O-N 2.93Å; N131-V133 VanDerWaalsContact C-N 3.29Å; N131-V133 HydrophobicContact CB-CG1 4.38Å; N131-V133 HydrophobicContact CB-CG2 4.21Å; N131-V133 PolarHBondContact O-N 3.43Å; V133-S135 PolarHBondContact O-N 3.47Å; V133-S135 VanDerWaalsContact O-N 3.17Å; V133-I136 PolarHBondContact O-N 2.97Å; V133-V137 HydrophobicContact CB-CG2 4.13Å; V133-V137 HydrophobicContact CG2-CB 4.45Å; V133-V137 HydrophobicContact CG2-CG2 3.84Å; V133-V137 PolarHBondContact O-N 3.02Å
134	G	97.9	Very high	98.1	Very high	51 Å²	51	52 Å²	52	53%	0.526	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-15.7	-178	0	0	0	0	0	115.4	V128 I136	V128-G134 VanDerWaalsContact CG1-CA 3.44Å; G134-I136 VanDerWaalsContact C-N 3.28Å
135	S	97.4	Very high	98.2	Very high	110 Å²	110	54 Å²	54	77%	0.769	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-18.8	172.2	54.6	0	0	0	0	113.3	V133	V133-S135 PolarHBondContact O-N 3.47Å; V133-S135 VanDerWaalsContact O-N 3.17Å
136	I	97.6	Very high	98.2	Very high	45 Å²	45	54.1 Å²	54.1	23%	0.231	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.6	-41	-177	-59.2	173.8	0	0	0	110.5	A102 V108 S110 I111 V133 G134	A102-I136 HydrophobicContact CB-CG2 4.35Å; V108-I136 HydrophobicContact CB-CG2 4.34Å; V108-I136 HydrophobicContact CG1-CG2 3.68Å; S110-I136 CarbonylContact C-O 3.54Å; S110-I136 WeakPolarHBondContact CA-O 3.41Å; I111-I136 HydrophobicContact CD1-CG2 4.06Å; I111-I136 HydrophobicContact CG1-CG2 4.15Å; I111-I136 PolarHBondContact N-O 3.23Å; V133-I136 PolarHBondContact O-N 2.97Å; G134-I136 VanDerWaalsContact C-N 3.28Å
137	V	98.6	Very high	98.2	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.042	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	120.7	-174.4	-170.8	0	0	0	0	110.7	A102 I111 A113 V128 V133	A102-V137 HydrophobicContact CB-CG2 3.62Å; I111-V137 HydrophobicContact CB-CG1 4.49Å; I111-V137 HydrophobicContact CB-CG2 4.21Å; I111-V137 HydrophobicContact CD1-CG2 4.09Å; I111-V137 HydrophobicContact CG2-CG1 4.4Å; A113-V137 HydrophobicContact CB-CG1 4.07Å; V128-V137 HydrophobicContact CG1-CB 4.14Å; V128-V137 HydrophobicContact CG2-CB 3.81Å; V128-V137 HydrophobicContact CG2-CG1 3.54Å; V133-V137 HydrophobicContact CB-CG2 4.13Å; V133-V137 HydrophobicContact CG2-CB 4.45Å; V133-V137 HydrophobicContact CG2-CG2 3.84Å; V133-V137 PolarHBondContact O-N 3.02Å
138	S	98.4	Very high	98.2	Very high	57 Å²	57	48.4 Å²	48.4	40%	0.399	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	148.1	170	61.1	0	0	0	0	110	I111 I112 A113	I111-S138 PolarHBondContact O-N 3.2Å; I111-S138 PolarHBondContact O-OG 3.04Å; I111-S138 VanDerWaalsContact O-OG 3.11Å; I112-S138 WeakPolarHBondContact CA-O 3.36Å; A113-S138 PolarHBondContact N-O 3.32Å
139	T	98.5	Very high	98.2	Very high	34 Å²	34	51.7 Å²	51.7	21%	0.209	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	140.1	-178.1	62.8	0	0	0	0	111.4	A113 I124 Q125	A113-T139 WeakPolarHBondContact O-CA 3.48Å; I124-T139 HydrophobicContact CB-CG2 4.08Å; I124-T139 HydrophobicContact CG2-CG2 3.47Å; I124-T139 VanDerWaalsContact CG2-CG2 3.47Å; Q125-T139 HydrophobicContact CG-CG2 3.68Å; Q125-T139 WeakPolarHBondContact CG-OG1 3.21Å; Q125-T139 PolarHBondContact NE2-OG1 3.08Å
140	V	98.3	Very high	98.2	Very high	47 Å²	47	52.6 Å²	52.6	29%	0.285	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	138.5	173.4	177.8	0	0	0	0	109.2	I112 A113 N114 D115 V121 L147	I112-V140 HydrophobicContact CG2-CB 4.24Å; I112-V140 HydrophobicContact CG2-CG2 3.74Å; A113-V140 PolarHBondContact O-N 3.15Å; N114-V140 WeakPolarHBondContact CA-O 3.39Å; N114-V140 HydrophobicContact CB-CB 4.48Å; N114-V140 WeakPolarHBondContact OD1-CG1 3.28Å; N114-V140 PolarHBondContact OD1-O 3.46Å; D115-V140 PolarHBondContact N-O 2.84Å; V121-V140 WeakPolarHBondContact CG2-O 3.49Å; V140-L147 HydrophobicContact CB-CD2 4.38Å; V140-L147 HydrophobicContact CG1-CD1 4.13Å; V140-L147 HydrophobicContact CG1-CD2 4.3Å
141	C	98.4	Very high	98.2	Very high	67 Å²	67	50 Å²	50	45%	0.453	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	106.4	171.3	-168.4	0	0	0	0	108.6	D115 V121	D115-C141 WeakPolarHBondContact O-CA 3.42Å; V121-C141 HydrophobicContact CB-CB 4.34Å; V121-C141 HydrophobicContact CG1-CB 4.3Å; V121-C141 HydrophobicContact CG2-CB 3.8Å
142	G	97.5	Very high	98.1	Very high	22 Å²	22	54.1 Å²	54.1	23%	0.227	31%	0.314	C	S	.	.	S	Bend	trans	-176.8	166.6	-176	0	0	0	0	0	114.4	N114 D115 A144	N114-G142 PolarHBondContact ND2-O 2.52Å; N114-G142 PolarHBondContact OD1-N 2.68Å; N114-G142 PolarHBondContact OD1-O 3.25Å; D115-G142 PolarHBondContact O-N 3.29Å; G142-A144 PolarHBondContact O-N 2.86Å
143	D	98.3	Very high	97.9	Very high	63 Å²	63	52.4 Å²	52.4	34%	0.337	31%	0.305	S	S	.	.			trans	-64.8	132	170.8	-174	-78.8	0	0	0	110.3	L116 V145 D146 L147	L116-D143 HydrophobicContact CD1-CB 4.36Å; D143-V145 VanDerWaalsContact C-N 3.29Å; D143-V145 PolarHBondContact O-N 3.07Å; D143-V145 WeakPolarHBondContact OD1-CA 3.3Å; D143-V145 WeakPolarHBondContact OD1-CB 3.33Å; D143-V145 PolarHBondContact OD1-N 3.44Å; D143-D146 HydrophobicContact CB-CB 4.2Å; D143-D146 PolarHBondContact O-N 2.92Å; D143-D146 PolarHBondContact OD1-N 3.5Å; D143-L147 WeakPolarHBondContact O-CB 3.47Å; D143-L147 PolarHBondContact O-N 3.34Å
144	A	98.5	Very high	97.6	Very high	7 Å²	7	58.2 Å²	58.2	6%	0.058	34%	0.335	C	S	.	.	H	α-helix	trans	-61.7	-36.5	-177.1	0	0	0	0	0	112.6	A90 L91 G142 M148 F172	A90-A144 HydrophobicContact CB-CB 4.09Å; L91-A144 HydrophobicContact CG-CB 4.31Å; G142-A144 PolarHBondContact O-N 2.86Å; A144-M148 HydrophobicContact CB-CE 4.42Å; A144-M148 WeakPolarHBondContact O-CB 3.44Å; A144-M148 VanDerWaalsContact O-CE 3.23Å; A144-M148 WeakPolarHBondContact O-CE 3.49Å; A144-M148 VanDerWaalsContact O-CG 3.25Å; A144-M148 WeakPolarHBondContact O-CG 3.44Å; A144-M148 PolarHBondContact O-N 3.2Å; A144-F172 HydrophobicContact CB-CD1 4.08Å; A144-F172 HydrophobicContact CB-CE1 4.01Å
145	V	98.6	Very high	97.2	Very high	42 Å²	42	65.1 Å²	65.1	26%	0.255	35%	0.35	S	S	.	.	H	α-helix	trans	-67.4	-46.9	178.4	-178.9	0	0	0	0	109.9	D143 M148 H149 F172 T175	D143-V145 VanDerWaalsContact C-N 3.29Å; D143-V145 PolarHBondContact O-N 3.07Å; D143-V145 WeakPolarHBondContact OD1-CA 3.3Å; D143-V145 WeakPolarHBondContact OD1-CB 3.33Å; D143-V145 PolarHBondContact OD1-N 3.44Å; V145-M148 PolarHBondContact O-N 3.44Å; V145-H149 VanDerWaalsContact O-CB 3.29Å; V145-H149 WeakPolarHBondContact O-CB 3.37Å; V145-H149 PolarHBondContact O-N 2.92Å; V145-F172 HydrophobicContact CG2-CD1 3.84Å; V145-F172 HydrophobicContact CG2-CE1 4.13Å; V145-T175 HydrophobicContact CG1-CG2 3.63Å
146	D	98.5	Very high	97.1	Very high	97 Å²	97	63.6 Å²	63.6	52%	0.519	33%	0.331	S	S	.	.	H	α-helix	trans	-62	-46.8	178.5	-72	-23.2	0	0	0	111.6	D143 M148 H149 Q150	D143-D146 HydrophobicContact CB-CB 4.2Å; D143-D146 PolarHBondContact O-N 2.92Å; D143-D146 PolarHBondContact OD1-N 3.5Å; D146-M148 PolarHBondContact O-N 3.1Å; D146-H149 PolarHBondContact O-N 3.4Å; D146-Q150 VanDerWaalsContact O-CG 3.29Å; D146-Q150 WeakPolarHBondContact O-CG 3.46Å; D146-Q150 PolarHBondContact O-N 3.22Å
147	L	98.6	Very high	97.1	Very high	9 Å²	9	64 Å²	64	5%	0.047	33%	0.329	C	S	.	.	H	α-helix	trans	-59.8	-47.3	178.1	178.8	63.6	0	0	0	111.8	L88 I112 N114 V140 D143 H149 Q150 H151	L88-L147 HydrophobicContact CD1-CD2 3.8Å; I112-L147 HydrophobicContact CG2-CD2 4.05Å; N114-L147 HydrophobicContact CB-CD2 3.43Å; N114-L147 VanDerWaalsContact CB-CD2 3.43Å; N114-L147 VanDerWaalsContact CG-CD2 3.44Å; V140-L147 HydrophobicContact CB-CD2 4.38Å; V140-L147 HydrophobicContact CG1-CD1 4.13Å; V140-L147 HydrophobicContact CG1-CD2 4.3Å; D143-L147 WeakPolarHBondContact O-CB 3.47Å; D143-L147 PolarHBondContact O-N 3.34Å; L147-H149 VanDerWaalsContact C-N 3.3Å; L147-H149 PolarHBondContact O-N 2.7Å; L147-Q150 PolarHBondContact O-N 2.81Å; L147-H151 VanDerWaalsContact CD1-CE1 3.48Å; L147-H151 WeakPolarHBondContact CD1-CE1 3.3Å; L147-H151 PolarHBondContact O-N 2.89Å; L147-H151 PolarHBondContact O-ND1 2.89Å
148	M	98.7	Very high	97.1	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-63.5	-39	176.7	-74.3	-172.4	-73.9	0	0	111.4	L88 A144 V145 D146 Q150 H151 V161 I163 F172 T175 A176 C179	L88-M148 HydrophobicContact CD2-CG 3.56Å; L88-M148 HydrophobicContact CD2-SD 4.38Å; A144-M148 HydrophobicContact CB-CE 4.42Å; A144-M148 WeakPolarHBondContact O-CB 3.44Å; A144-M148 VanDerWaalsContact O-CE 3.23Å; A144-M148 WeakPolarHBondContact O-CE 3.49Å; A144-M148 VanDerWaalsContact O-CG 3.25Å; A144-M148 WeakPolarHBondContact O-CG 3.44Å; A144-M148 PolarHBondContact O-N 3.2Å; V145-M148 PolarHBondContact O-N 3.44Å; D146-M148 PolarHBondContact O-N 3.1Å; M148-Q150 VanDerWaalsContact C-N 3.32Å; M148-Q150 PolarHBondContact O-N 3.5Å; M148-H151 PolarHBondContact O-N 3.35Å; M148-H151 VanDerWaalsContact O-N 3.15Å; M148-V161 HydrophobicContact SD-CG1 4.25Å; M148-I163 HydrophobicContact CE-CD1 4Å; M148-I163 HydrophobicContact SD-CD1 3.75Å; M148-F172 HydrophobicContact CE-CB 4.07Å; M148-F172 HydrophobicContact CE-CD1 4.29Å; M148-T175 VanDerWaalsContact CE-OG1 3.26Å; M148-T175 WeakPolarHBondContact CE-OG1 3.47Å; M148-A176 WeakPolarHBondContact SD-CA 3.44Å; M148-A176 HydrophobicContact SD-CB 3.73Å; M148-C179 HydrophobicContact CB-CB 4.33Å; M148-C179 WeakPolarHBondContact O-CB 3.25Å
149	H	97.7	Very high	97.1	Very high	77 Å²	77	61 Å²	61	36%	0.356	31%	0.309	S	S	.	.	H	α-helix	trans	-64.5	-37.2	178.6	-164.8	62.6	0	0	0	112	V145 D146 L147 H151 R152 T175	V145-H149 VanDerWaalsContact O-CB 3.29Å; V145-H149 WeakPolarHBondContact O-CB 3.37Å; V145-H149 PolarHBondContact O-N 2.92Å; D146-H149 PolarHBondContact O-N 3.4Å; L147-H149 VanDerWaalsContact C-N 3.3Å; L147-H149 PolarHBondContact O-N 2.7Å; H149-H151 VanDerWaalsContact C-N 3.26Å; H149-H151 PolarHBondContact O-N 3.03Å; H149-R152 PolarHBondContact CD2-NH1 3.15Å; H149-R152 PolarHBondContact NE2-NH1 3.17Å; H149-R152 WeakPolarHBondContact O-CD 3.46Å; H149-R152 VanDerWaalsContact O-CG 3.23Å; H149-R152 WeakPolarHBondContact O-CG 3.42Å; H149-R152 PolarHBondContact O-N 2.59Å; H149-R152 PolarHBondContact O-NH1 2.76Å; H149-T175 HydrophobicContact CB-CG2 4.39Å
150	Q	97.8	Very high	97.1	Very high	119 Å²	119	59.4 Å²	59.4	56%	0.556	30%	0.299	S	S	*	.	H	α-helix	trans	-62	-33.8	174	-69.5	164.5	14.7	0	0	111.9	D146 L147 M148 R152	D146-Q150 VanDerWaalsContact O-CG 3.29Å; D146-Q150 WeakPolarHBondContact O-CG 3.46Å; D146-Q150 PolarHBondContact O-N 3.22Å; L147-Q150 PolarHBondContact O-N 2.81Å; M148-Q150 VanDerWaalsContact C-N 3.32Å; M148-Q150 PolarHBondContact O-N 3.5Å; Q150-R152 VanDerWaalsContact C-N 3.33Å; Q150-R152 PolarHBondContact O-N 3.46Å
151	H	98.2	Very high	97.1	Very high	27 Å²	27	57.1 Å²	57.1	13%	0.125	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	23.6	-177.5	-70.1	79.6	0	0	0	114.8	L147 M148 H149 R157 F158 C179	L147-H151 VanDerWaalsContact CD1-CE1 3.48Å; L147-H151 WeakPolarHBondContact CD1-CE1 3.3Å; L147-H151 PolarHBondContact O-N 2.89Å; L147-H151 PolarHBondContact O-ND1 2.89Å; M148-H151 PolarHBondContact O-N 3.35Å; M148-H151 VanDerWaalsContact O-N 3.15Å; H149-H151 VanDerWaalsContact C-N 3.26Å; H149-H151 PolarHBondContact O-N 3.03Å; H151-R157 WeakPolarHBondContact O-CG 3.31Å; H151-F158 HydrophobicContact CB-CD2 4.31Å; H151-F158 HydrophobicContact CB-CE2 3.49Å; H151-F158 VanDerWaalsContact CB-CE2 3.49Å; H151-F158 HydrophobicContact CB-CZ 4.16Å; H151-F158 AromaticContact CD2-CE2 3.68Å; H151-F158 AromaticContact CD2-CZ 3.41Å; H151-F158 VanDerWaalsContact CD2-CZ 3.41Å; H151-F158 WeakPolarHBondContact CD2-CZ 3.19Å; H151-F158 AromaticContact CG-CE2 3.53Å; H151-F158 AromaticContact CG-CZ 3.67Å; H151-F158 AromaticContact NE2-CZ 3.81Å; H151-C179 HydrophobicContact CB-CB 4.18Å
152	R	95.8	Very high	97.1	Very high	106 Å²	106	54 Å²	54	40%	0.4	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-19.3	-178.9	69.8	-173.9	178.7	-97.2	12.1	114	H149 Q150 R157	H149-R152 PolarHBondContact CD2-NH1 3.15Å; H149-R152 PolarHBondContact NE2-NH1 3.17Å; H149-R152 WeakPolarHBondContact O-CD 3.46Å; H149-R152 VanDerWaalsContact O-CG 3.23Å; H149-R152 WeakPolarHBondContact O-CG 3.42Å; H149-R152 PolarHBondContact O-N 2.59Å; H149-R152 PolarHBondContact O-NH1 2.76Å; Q150-R152 VanDerWaalsContact C-N 3.33Å; Q150-R152 PolarHBondContact O-N 3.46Å; R152-R157 PolarHBondContact O-NE 2.62Å; R152-R157 PolarHBondContact O-NH2 3.2Å
153	L	95	Very high	97.2	Very high	107 Å²	107	53 Å²	53	56%	0.56	25%	0.253	S	S	*	.	S	Bend	trans	-68	139.6	179	-63	-179.4	0	0	0	110.5	K155 E156 R157	L153-K155 PolarHBondContact O-N 3.36Å; L153-E156 PolarHBondContact O-N 3.04Å; L153-R157 WeakPolarHBondContact O-CG 3.38Å; L153-R157 PolarHBondContact O-N 2.89Å
154	L	90.5	Very high	97.2	Very high	129 Å²	129	51.1 Å²	51.1	68%	0.675	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-37.3	-168.7	-175.8	63.2	0	0	0	114	E156	L154-E156 VanDerWaalsContact C-N 3.33Å
155	K	91.1	Very high	97.1	Very high	196 Å²	196	51.1 Å²	51.1	85%	0.852	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74	-21.5	-179.4	-65	-177.1	178.9	179.8	0	113.6	L153	L153-K155 PolarHBondContact O-N 3.36Å
156	E	94.9	Very high	96.6	Very high	78 Å²	78	53.8 Å²	53.8	36%	0.364	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-15	-173	-65	174.5	162.5	0	0	113	K86 L153 L154	K86-E156 PolarHBondContact NZ-O 3.48Å; L153-E156 PolarHBondContact O-N 3.04Å; L154-E156 VanDerWaalsContact C-N 3.33Å
157	R	97.4	Very high	96.4	Very high	53 Å²	53	49.8 Å²	49.8	20%	0.2	23%	0.233	C	C	.	.			trans	-57.7	149.3	-179	-71.1	174.6	-173	177.5	2	113.4	H151 R152 L153 Q178 C179 L180 R181	H151-R157 WeakPolarHBondContact O-CG 3.31Å; R152-R157 PolarHBondContact O-NE 2.62Å; R152-R157 PolarHBondContact O-NH2 3.2Å; L153-R157 WeakPolarHBondContact O-CG 3.38Å; L153-R157 PolarHBondContact O-N 2.89Å; R157-Q178 PolarHBondContact NE-O 2.89Å; R157-C179 CarbonylContact C-O 3.56Å; R157-C179 WeakPolarHBondContact CA-O 3.48Å; R157-C179 WeakPolarHBondContact CB-O 3.39Å; R157-C179 WeakPolarHBondContact CG-O 3.32Å; R157-L180 WeakPolarHBondContact CD-O 3.44Å; R157-R181 HydrophobicContact CB-CG 3.62Å; R157-R181 PolarHBondContact O-NE 3.46Å; R157-R181 VanDerWaalsContact O-NE 3.07Å
158	F	98.4	Very high	96.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	152.5	178.9	-57	-84.2	0	0	0	111.8	K86 L88 I112 H151 V161 C179 R181	K86-F158 HydrophobicContact CD-CD1 3.93Å; K86-F158 HydrophobicContact CD-CE1 4.18Å; K86-F158 HydrophobicContact CG-CD1 3.76Å; K86-F158 HydrophobicContact CG-CE1 4.2Å; L88-F158 HydrophobicContact CB-CD1 3.68Å; L88-F158 HydrophobicContact CB-CD2 3.94Å; L88-F158 HydrophobicContact CB-CE1 3.72Å; L88-F158 HydrophobicContact CB-CE2 3.96Å; L88-F158 HydrophobicContact CB-CG 3.81Å; L88-F158 HydrophobicContact CB-CZ 3.86Å; L88-F158 HydrophobicContact CD1-CZ 4.29Å; L88-F158 HydrophobicContact CD2-CD2 4.12Å; L88-F158 HydrophobicContact CD2-CE2 3.74Å; L88-F158 HydrophobicContact CD2-CZ 4.14Å; L88-F158 HydrophobicContact CG-CE2 4.34Å; L88-F158 HydrophobicContact CG-CZ 4.32Å; I112-F158 HydrophobicContact CB-CE1 4.47Å; I112-F158 HydrophobicContact CD1-CE1 3.86Å; I112-F158 HydrophobicContact CD1-CZ 3.9Å; I112-F158 HydrophobicContact CG1-CE1 4.26Å; H151-F158 HydrophobicContact CB-CD2 4.31Å; H151-F158 HydrophobicContact CB-CE2 3.49Å; H151-F158 VanDerWaalsContact CB-CE2 3.49Å; H151-F158 HydrophobicContact CB-CZ 4.16Å; H151-F158 AromaticContact CD2-CE2 3.68Å; H151-F158 AromaticContact CD2-CZ 3.41Å; H151-F158 VanDerWaalsContact CD2-CZ 3.41Å; H151-F158 WeakPolarHBondContact CD2-CZ 3.19Å; H151-F158 AromaticContact CG-CE2 3.53Å; H151-F158 AromaticContact CG-CZ 3.67Å; H151-F158 AromaticContact NE2-CZ 3.81Å; F158-V161 HydrophobicContact CB-CG2 3.78Å; F158-V161 HydrophobicContact CD2-CG2 4.11Å; F158-V161 HydrophobicContact CG-CG2 4.21Å; F158-C179 HydrophobicContact CD2-CB 4.25Å; F158-C179 PolarHBondContact N-O 2.86Å; F158-R181 WeakPolarHBondContact O-CB 3.49Å; F158-R181 WeakPolarHBondContact O-CG 3.32Å; F158-R181 PolarHBondContact O-N 3.14Å
159	D	98	Very high	96.3	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-33.8	168.6	-59.2	-67.1	0	0	0	111.1	F59 H63 L85 K86 R181 G184 L185	F59-D159 HydrophobicContact CE1-CB 4.42Å; H63-D159 IonicContact NE2-OD1 2.83Å; L85-D159 HydrophobicContact CD2-CB 3.99Å; K86-D159 PolarHBondContact N-OD2 2.83Å; K86-D159 PolarHBondContact O-N 2.61Å; D159-R181 WeakPolarHBondContact OD1-CD 3.48Å; D159-R181 IonicContact OD1-CZ 3.96Å; D159-R181 IonicContact OD1-NE 3.12Å; D159-R181 IonicContact OD1-NH1 2.72Å; D159-R181 PolarHBondContact OD1-NH1 2.87Å; D159-R181 IonicContact OD2-CZ 3.6Å; D159-R181 IonicContact OD2-NH1 3.38Å; D159-R181 PolarHBondContact OD2-NH1 3.17Å; D159-G184 CarbonylContact O-C 3.58Å; D159-G184 VanDerWaalsContact O-CA 3.26Å; D159-G184 WeakPolarHBondContact O-CA 3.39Å; D159-L185 PolarHBondContact O-N 3.28Å
160	V	98.8	Very high	96.3	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	133.3	178.4	-174.1	0	0	0	0	109.9	V56 F59 K86 I87 L88 L185	V56-V160 HydrophobicContact CG1-CG2 4.34Å; V56-V160 HydrophobicContact CG2-CG1 4.14Å; F59-V160 HydrophobicContact CD1-CG2 3.86Å; F59-V160 HydrophobicContact CE1-CG2 3.62Å; F59-V160 HydrophobicContact CZ-CG2 4.5Å; K86-V160 PolarHBondContact O-N 2.91Å; I87-V160 CarbonylContact C-O 3.28Å; I87-V160 WeakPolarHBondContact CA-O 3.23Å; I87-V160 HydrophobicContact CB-CB 4.37Å; I87-V160 HydrophobicContact CG1-CB 4.02Å; I87-V160 HydrophobicContact CG1-CG2 4.25Å; I87-V160 HydrophobicContact CG2-CB 4.06Å; I87-V160 HydrophobicContact CG2-CG1 4.25Å; L88-V160 PolarHBondContact N-O 2.94Å; V160-L185 VanDerWaalsContact CA-O 3.31Å; V160-L185 WeakPolarHBondContact CA-O 3.37Å; V160-L185 HydrophobicContact CG1-CB 4.36Å; V160-L185 HydrophobicContact CG1-CD2 4.18Å; V160-L185 HydrophobicContact CG1-CG 4.46Å; V160-L185 HydrophobicContact CG2-CB 4.22Å; V160-L185 HydrophobicContact CG2-CD2 4.48Å
161	V	98.9	Very high	96.4	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	125.6	171.8	175.1	0	0	0	0	108.5	L88 M148 F158 I163 A176 L180 L185 L186 C187	L88-V161 HydrophobicContact CB-CG2 4.26Å; L88-V161 HydrophobicContact CD2-CG1 4.24Å; L88-V161 HydrophobicContact CD2-CG2 4.48Å; L88-V161 WeakPolarHBondContact O-CA 3.11Å; M148-V161 HydrophobicContact SD-CG1 4.25Å; F158-V161 HydrophobicContact CB-CG2 3.78Å; F158-V161 HydrophobicContact CD2-CG2 4.11Å; F158-V161 HydrophobicContact CG-CG2 4.21Å; V161-I163 HydrophobicContact CG1-CD1 3.78Å; V161-I163 HydrophobicContact CG1-CG1 4.1Å; V161-A176 HydrophobicContact CG1-CB 4.24Å; V161-L180 HydrophobicContact CB-CD1 4.39Å; V161-L180 HydrophobicContact CB-CD2 3.98Å; V161-L180 HydrophobicContact CB-CG 4.12Å; V161-L180 HydrophobicContact CG2-CD1 4.46Å; V161-L180 HydrophobicContact CG2-CD2 3.57Å; V161-L180 HydrophobicContact CG2-CG 3.69Å; V161-L185 PolarHBondContact N-O 2.85Å; V161-L186 HydrophobicContact CB-CD1 4.1Å; V161-L186 HydrophobicContact CG1-CD1 4.07Å; V161-C187 PolarHBondContact O-N 3.45Å
162	D	98.9	Very high	96.4	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	122.2	174.6	-171.3	63.2	0	0	0	110.8	L88 A90 R97 C187 R254	L88-D162 PolarHBondContact O-N 3.41Å; A90-D162 PolarHBondContact N-O 3.04Å; A90-D162 VanDerWaalsContact N-O 3.09Å; R97-D162 WeakPolarHBondContact CD-OD2 3.35Å; R97-D162 IonicContact CZ-OD2 3.25Å; R97-D162 IonicContact NE-OD2 2.76Å; R97-D162 IonicContact NH1-OD2 2.85Å; R97-D162 PolarHBondContact NH1-OD2 3.23Å; D162-C187 WeakPolarHBondContact CA-O 3.41Å; D162-C187 HydrophobicContact CB-CB 4.45Å; D162-C187 VanDerWaalsContact OD1-CB 3.32Å; D162-C187 WeakPolarHBondContact OD1-CB 3.46Å; D162-R254 IonicContact OD1-CZ 3.05Å; D162-R254 IonicContact OD1-NH1 3.48Å; D162-R254 PolarHBondContact OD1-NH1 3.23Å; D162-R254 IonicContact OD1-NH2 2.76Å; D162-R254 PolarHBondContact OD1-NH2 2.88Å
163	I	98.7	Very high	96.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	101.4	177.6	-57.7	-55.9	0	0	0	107.7	A90 L91 M148 V161 P165 A169 F172 A176 L186 C187 V188 T189	A90-I163 HydrophobicContact CB-CD1 3.71Å; L91-I163 HydrophobicContact CD1-CG2 4.42Å; M148-I163 HydrophobicContact CE-CD1 4Å; M148-I163 HydrophobicContact SD-CD1 3.75Å; V161-I163 HydrophobicContact CG1-CD1 3.78Å; V161-I163 HydrophobicContact CG1-CG1 4.1Å; I163-P165 VanDerWaalsContact C-CD 3.46Å; I163-P165 HydrophobicContact CG2-CG 4.39Å; I163-A169 HydrophobicContact CG2-CB 4.22Å; I163-F172 HydrophobicContact CD1-CB 4.25Å; I163-F172 HydrophobicContact CG2-CB 3.72Å; I163-F172 HydrophobicContact CG2-CD2 4.09Å; I163-F172 HydrophobicContact CG2-CG 4.16Å; I163-A176 HydrophobicContact CD1-CB 4.09Å; I163-A176 HydrophobicContact CG1-CB 3.97Å; I163-L186 HydrophobicContact CG1-CD1 3.99Å; I163-C187 PolarHBondContact N-O 3.23Å; I163-V188 HydrophobicContact CB-CG2 4.47Å; I163-V188 CarbonylContact O-C 3.51Å; I163-V188 WeakPolarHBondContact O-CA 3.43Å; I163-T189 PolarHBondContact O-N 2.85Å
164	D	97.6	Very high	96.7	Very high	24 Å²	24	38.9 Å²	38.9	13%	0.128	20%	0.197	C	C	.	.			trans	-128.7	67.8	178.7	-171.5	17.3	0	0	0	112.3	R97 T189	R97-D164 IonicContact CZ-OD2 3.64Å; R97-D164 VanDerWaalsContact NH1-CB 3.27Å; R97-D164 IonicContact NH1-OD2 3.95Å; R97-D164 PolarHBondContact NH1-OD2 2.87Å; R97-D164 IonicContact NH2-OD2 3.57Å; R97-D164 PolarHBondContact NH2-OD2 3.39Å; D164-T189 WeakPolarHBondContact OD1-CB 3.45Å; D164-T189 WeakPolarHBondContact OD1-CG2 3.42Å; D164-T189 PolarHBondContact OD1-OG1 2.83Å
165	P	96.1	Very high	97.1	Very high	7 Å²	7	33.3 Å²	33.3	5%	0.045	17%	0.168	C	C	.	.			trans	-77.9	157.2	178.9	32.5	-35.6	0	0	0	112	L91 I163 G167 T168 A169 F172	L91-P165 HydrophobicContact CD1-CB 4.2Å; L91-P165 HydrophobicContact CD2-CB 3.9Å; I163-P165 VanDerWaalsContact C-CD 3.46Å; I163-P165 HydrophobicContact CG2-CG 4.39Å; P165-G167 PolarHBondContact O-N 2.76Å; P165-T168 VanDerWaalsContact CG-O 3.25Å; P165-T168 WeakPolarHBondContact CG-O 3.36Å; P165-A169 HydrophobicContact CG-CB 4.28Å; P165-F172 HydrophobicContact CB-CD2 4.19Å; P165-F172 HydrophobicContact CB-CE2 3.57Å; P165-F172 HydrophobicContact CB-CZ 4.32Å; P165-F172 HydrophobicContact CG-CD2 3.96Å; P165-F172 HydrophobicContact CG-CE2 3.8Å
166	F	89.5	Confident	97.4	Very high	98 Å²	98	24 Å²	24	43%	0.43	13%	0.127	S	C	.	.	S	Bend	trans	-65.5	118.5	160.3	-174.6	-89.2	0	0	0	110.2	F40 K588 K590	F40-F166 HydrophobicContact CE2-CD2 4.03Å; F40-F166 HydrophobicContact CE2-CE2 4.28Å; F40-F166 HydrophobicContact CZ-CD2 4.08Å; F166-K588 VanDerWaalsContact CE2-O 3.24Å; F166-K588 WeakPolarHBondContact CE2-O 3.5Å; F166-K590 HydrophobicContact CD1-CB 3.88Å; F166-K590 HydrophobicContact CD1-CD 4.2Å; F166-K590 HydrophobicContact CD1-CG 4.01Å; F166-K590 HydrophobicContact CD2-CB 4.47Å; F166-K590 HydrophobicContact CE1-CB 3.67Å; F166-K590 HydrophobicContact CE1-CG 4.3Å; F166-K590 HydrophobicContact CE2-CB 4.28Å; F166-K590 HydrophobicContact CG-CB 4.29Å; F166-K590 HydrophobicContact CG-CG 4.27Å; F166-K590 HydrophobicContact CZ-CB 3.89Å
167	G	94.1	Very high	97.6	Very high	14 Å²	14	20.3 Å²	20.3	14%	0.144	11%	0.11	C	C	.	.	S	Bend	trans	89.1	-118.5	179.5	0	0	0	0	0	112.4	P165 S190 T191 D192	P165-G167 PolarHBondContact O-N 2.76Å; G167-S190 PolarHBondContact O-OG 2.83Å; G167-T191 WeakPolarHBondContact CA-OG1 3.24Å; G167-T191 PolarHBondContact N-OG1 3.34Å; G167-T191 PolarHBondContact O-N 2.86Å; G167-D192 PolarHBondContact O-N 2.95Å
168	T	97.2	Very high	97.6	Very high	24 Å²	24	19.2 Å²	19.2	15%	0.147	11%	0.107	C	C	.	.			trans	-92.9	139.5	-169.6	-178.4	0	0	0	0	112.6	P165 S170 P171 D192 K207 Y208	P165-T168 VanDerWaalsContact CG-O 3.25Å; P165-T168 WeakPolarHBondContact CG-O 3.36Å; T168-S170 WeakPolarHBondContact OG1-CB 3.23Å; T168-S170 PolarHBondContact OG1-N 3.26Å; T168-S170 VanDerWaalsContact OG1-N 3.17Å; T168-P171 HydrophobicContact CG2-CG 4.48Å; T168-D192 WeakPolarHBondContact CB-OD2 3.32Å; T168-K207 HydrophobicContact CG2-CD 4.18Å; T168-Y208 PolarHBondContact OG1-OH 2.86Å
169	A	98.2	Very high	97.6	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.107	C	C	.	.			trans	-84.2	-13.1	170.7	0	0	0	0	0	114.6	I163 P165 P171 F172 L173 V188	I163-A169 HydrophobicContact CG2-CB 4.22Å; P165-A169 HydrophobicContact CG-CB 4.28Å; A169-P171 VanDerWaalsContact C-CD 3.5Å; A169-F172 PolarHBondContact O-N 2.99Å; A169-L173 HydrophobicContact CB-CD2 4.2Å; A169-L173 WeakPolarHBondContact O-CG 3.36Å; A169-V188 HydrophobicContact CB-CG1 3.37Å
170	S	98.3	Very high	97.6	Very high	28 Å²	28	19.2 Å²	19.2	20%	0.196	11%	0.107	C	C	.	.	H	α-helix	trans	-48.1	-48.4	-170.4	159.2	0	0	0	0	114.5	T168 F172 L173 K207	T168-S170 WeakPolarHBondContact OG1-CB 3.23Å; T168-S170 PolarHBondContact OG1-N 3.26Å; T168-S170 VanDerWaalsContact OG1-N 3.17Å; S170-F172 PolarHBondContact O-N 2.83Å; S170-F172 VanDerWaalsContact O-N 3.1Å; S170-L173 PolarHBondContact O-N 2.88Å; S170-K207 WeakPolarHBondContact CB-O 3.44Å; S170-K207 PolarHBondContact OG-O 2.81Å
171	P	98.2	Very high	97.5	Very high	76 Å²	76	22.4 Å²	22.4	49%	0.494	12%	0.119	S	C	.	.	H	α-helix	trans	-62	-23	-177.3	-25.4	36.1	0	0	0	115	T168 A169	T168-P171 HydrophobicContact CG2-CG 4.48Å; A169-P171 VanDerWaalsContact C-CD 3.5Å
172	F	98.8	Very high	97.4	Very high	30 Å²	30	25.9 Å²	25.9	13%	0.132	14%	0.138	C	C	.	.	H	α-helix	trans	-95.9	-15.9	-173.1	-50.8	-72.2	0	0	0	112.9	L91 A144 V145 M148 I163 P165 A169 S170 N174 T175 A176	L91-F172 HydrophobicContact CD2-CE1 4.32Å; L91-F172 HydrophobicContact CD2-CE2 4.41Å; L91-F172 HydrophobicContact CD2-CZ 3.94Å; A144-F172 HydrophobicContact CB-CD1 4.08Å; A144-F172 HydrophobicContact CB-CE1 4.01Å; V145-F172 HydrophobicContact CG2-CD1 3.84Å; V145-F172 HydrophobicContact CG2-CE1 4.13Å; M148-F172 HydrophobicContact CE-CB 4.07Å; M148-F172 HydrophobicContact CE-CD1 4.29Å; I163-F172 HydrophobicContact CD1-CB 4.25Å; I163-F172 HydrophobicContact CG2-CB 3.72Å; I163-F172 HydrophobicContact CG2-CD2 4.09Å; I163-F172 HydrophobicContact CG2-CG 4.16Å; P165-F172 HydrophobicContact CB-CD2 4.19Å; P165-F172 HydrophobicContact CB-CE2 3.57Å; P165-F172 HydrophobicContact CB-CZ 4.32Å; P165-F172 HydrophobicContact CG-CD2 3.96Å; P165-F172 HydrophobicContact CG-CE2 3.8Å; A169-F172 PolarHBondContact O-N 2.99Å; S170-F172 PolarHBondContact O-N 2.83Å; S170-F172 VanDerWaalsContact O-N 3.1Å; F172-N174 VanDerWaalsContact C-N 3.34Å; F172-N174 PolarHBondContact O-N 2.68Å; F172-T175 PolarHBondContact O-N 3.42Å; F172-T175 PolarHBondContact O-OG1 2.77Å; F172-A176 WeakPolarHBondContact O-CB 3.33Å; F172-A176 PolarHBondContact O-N 3.01Å
173	L	98.7	Very high	97.3	Very high	6 Å²	6	25.8 Å²	25.8	3%	0.031	14%	0.137	C	C	.	.	H	α-helix	trans	-60.8	-41.8	-171.1	-60.2	-176.9	0	0	0	112.2	A169 S170 V177 V188 L226 M230 A233	A169-L173 HydrophobicContact CB-CD2 4.2Å; A169-L173 WeakPolarHBondContact O-CG 3.36Å; S170-L173 PolarHBondContact O-N 2.88Å; L173-V177 WeakPolarHBondContact O-CG1 3.4Å; L173-V177 WeakPolarHBondContact O-CG2 3.29Å; L173-V177 PolarHBondContact O-N 3.46Å; L173-V188 HydrophobicContact CD2-CG1 4.2Å; L173-V188 HydrophobicContact CD2-CG2 4.22Å; L173-L226 HydrophobicContact CD1-CD1 4.3Å; L173-M230 HydrophobicContact CD1-CG 3.89Å; L173-M230 HydrophobicContact CD2-CG 3.9Å; L173-M230 HydrophobicContact CG-CG 4.45Å; L173-A233 HydrophobicContact CB-CB 4.03Å
174	N	98.2	Very high	97.3	Very high	52 Å²	52	25.9 Å²	25.9	28%	0.278	14%	0.138	S	C	.	.	H	α-helix	trans	-66.6	-43.6	-175.5	-166.7	-70.9	0	0	0	113.2	F172 V177 Q178 Q236 H237	F172-N174 VanDerWaalsContact C-N 3.34Å; F172-N174 PolarHBondContact O-N 2.68Å; N174-V177 WeakPolarHBondContact O-CG2 3.27Å; N174-Q178 WeakPolarHBondContact O-CG 3.49Å; N174-Q178 PolarHBondContact O-NE2 3.33Å; N174-Q178 PolarHBondContact OD1-NE2 2.93Å; N174-Q236 PolarHBondContact ND2-OE1 2.8Å; N174-H237 PolarHBondContact OD1-NE2 3.29Å
175	T	98.4	Very high	97.3	Very high	11 Å²	11	24.7 Å²	24.7	7%	0.067	13%	0.132	C	C	.	.	H	α-helix	trans	-78.3	-33.8	178.9	43.7	0	0	0	0	111.9	V145 M148 H149 F172 V177 Q178 C179	V145-T175 HydrophobicContact CG1-CG2 3.63Å; M148-T175 VanDerWaalsContact CE-OG1 3.26Å; M148-T175 WeakPolarHBondContact CE-OG1 3.47Å; H149-T175 HydrophobicContact CB-CG2 4.39Å; F172-T175 PolarHBondContact O-N 3.42Å; F172-T175 PolarHBondContact O-OG1 2.77Å; T175-V177 PolarHBondContact O-N 3.4Å; T175-Q178 WeakPolarHBondContact O-CB 3.47Å; T175-Q178 PolarHBondContact O-N 3.15Å; T175-Q178 VanDerWaalsContact O-N 3.08Å; T175-C179 PolarHBondContact O-N 2.79Å; T175-C179 VanDerWaalsContact O-N 3.14Å
176	A	98.8	Very high	97.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-59.5	-44.2	175.7	0	0	0	0	0	112.5	M148 V161 I163 F172 Q178 C179 L180 L186	M148-A176 WeakPolarHBondContact SD-CA 3.44Å; M148-A176 HydrophobicContact SD-CB 3.73Å; V161-A176 HydrophobicContact CG1-CB 4.24Å; I163-A176 HydrophobicContact CD1-CB 4.09Å; I163-A176 HydrophobicContact CG1-CB 3.97Å; F172-A176 WeakPolarHBondContact O-CB 3.33Å; F172-A176 PolarHBondContact O-N 3.01Å; A176-Q178 PolarHBondContact O-N 3.32Å; A176-C179 PolarHBondContact O-SG 3.02Å; A176-C179 VanDerWaalsContact O-SG 3.41Å; A176-L180 WeakPolarHBondContact O-CD1 3.49Å; A176-L180 WeakPolarHBondContact O-CG 3.47Å; A176-L180 PolarHBondContact O-N 3.44Å; A176-L186 HydrophobicContact CB-CD1 3.78Å; A176-L186 HydrophobicContact CB-CD2 4.36Å
177	V	98.6	Very high	97.9	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.006	11%	0.109	C	C	.	.	H	α-helix	trans	-66.2	-24.3	177	-63.3	0	0	0	0	112.7	L173 N174 T175 L186 A234 K239 V259	L173-V177 WeakPolarHBondContact O-CG1 3.4Å; L173-V177 WeakPolarHBondContact O-CG2 3.29Å; L173-V177 PolarHBondContact O-N 3.46Å; N174-V177 WeakPolarHBondContact O-CG2 3.27Å; T175-V177 PolarHBondContact O-N 3.4Å; V177-L186 HydrophobicContact CG1-CD2 4.05Å; V177-A234 HydrophobicContact CG1-CB 4.17Å; V177-K239 WeakPolarHBondContact O-CD 3.38Å; V177-K239 PolarHBondContact O-NZ 3.08Å; V177-V259 HydrophobicContact CB-CG1 4.32Å; V177-V259 HydrophobicContact CG1-CG1 4.45Å; V177-V259 HydrophobicContact CG1-CG2 4.4Å
178	Q	98	Very high	98.1	Very high	31 Å²	31	19.1 Å²	19.1	15%	0.145	10%	0.103	C	C	.	.	H	α-helix	trans	-79.9	-41.4	-179.4	-72.3	175.2	73.2	0	0	112.8	R157 N174 T175 A176 L180 H237	R157-Q178 PolarHBondContact NE-O 2.89Å; N174-Q178 WeakPolarHBondContact O-CG 3.49Å; N174-Q178 PolarHBondContact O-NE2 3.33Å; N174-Q178 PolarHBondContact OD1-NE2 2.93Å; T175-Q178 WeakPolarHBondContact O-CB 3.47Å; T175-Q178 PolarHBondContact O-N 3.15Å; T175-Q178 VanDerWaalsContact O-N 3.08Å; A176-Q178 PolarHBondContact O-N 3.32Å; Q178-L180 VanDerWaalsContact C-N 3.26Å; Q178-L180 PolarHBondContact O-N 3.45Å; Q178-H237 PolarHBondContact NE2-CE1 2.93Å; Q178-H237 PolarHBondContact NE2-NE2 3.06Å
179	C	98.3	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-80.9	-2.2	-178.5	71	0	0	0	0	114	M148 H151 R157 F158 T175 A176	M148-C179 HydrophobicContact CB-CB 4.33Å; M148-C179 WeakPolarHBondContact O-CB 3.25Å; H151-C179 HydrophobicContact CB-CB 4.18Å; R157-C179 CarbonylContact C-O 3.56Å; R157-C179 WeakPolarHBondContact CA-O 3.48Å; R157-C179 WeakPolarHBondContact CB-O 3.39Å; R157-C179 WeakPolarHBondContact CG-O 3.32Å; F158-C179 HydrophobicContact CD2-CB 4.25Å; F158-C179 PolarHBondContact N-O 2.86Å; T175-C179 PolarHBondContact O-N 2.79Å; T175-C179 VanDerWaalsContact O-N 3.14Å; A176-C179 PolarHBondContact O-SG 3.02Å; A176-C179 VanDerWaalsContact O-SG 3.41Å
180	L	98.3	Very high	98.2	Very high	0 Å²	0	18 Å²	18	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	137.9	171.6	-81.5	164.6	0	0	0	112.9	R157 V161 A176 Q178 L185 L186 K239 V259	R157-L180 WeakPolarHBondContact CD-O 3.44Å; V161-L180 HydrophobicContact CB-CD1 4.39Å; V161-L180 HydrophobicContact CB-CD2 3.98Å; V161-L180 HydrophobicContact CB-CG 4.12Å; V161-L180 HydrophobicContact CG2-CD1 4.46Å; V161-L180 HydrophobicContact CG2-CD2 3.57Å; V161-L180 HydrophobicContact CG2-CG 3.69Å; A176-L180 WeakPolarHBondContact O-CD1 3.49Å; A176-L180 WeakPolarHBondContact O-CG 3.47Å; A176-L180 PolarHBondContact O-N 3.44Å; Q178-L180 VanDerWaalsContact C-N 3.26Å; Q178-L180 PolarHBondContact O-N 3.45Å; L180-L185 WeakPolarHBondContact CD2-O 3.34Å; L180-L186 HydrophobicContact CD1-CB 3.53Å; L180-L186 HydrophobicContact CD1-CD1 4.08Å; L180-L186 HydrophobicContact CD1-CD2 4.37Å; L180-L186 HydrophobicContact CD1-CG 4.17Å; L180-K239 PolarHBondContact O-NZ 3.41Å; L180-V259 HydrophobicContact CD1-CB 4.39Å; L180-V259 HydrophobicContact CD1-CG2 3.88Å
181	R	96.7	Very high	98.1	Very high	67 Å²	67	18 Å²	18	25%	0.253	9%	0.094	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	160.7	166.9	-74.9	172.2	175.4	-174.6	2.4	111	R157 F158 D159 G183 G184	R157-R181 HydrophobicContact CB-CG 3.62Å; R157-R181 PolarHBondContact O-NE 3.46Å; R157-R181 VanDerWaalsContact O-NE 3.07Å; F158-R181 WeakPolarHBondContact O-CB 3.49Å; F158-R181 WeakPolarHBondContact O-CG 3.32Å; F158-R181 PolarHBondContact O-N 3.14Å; D159-R181 WeakPolarHBondContact OD1-CD 3.48Å; D159-R181 IonicContact OD1-CZ 3.96Å; D159-R181 IonicContact OD1-NE 3.12Å; D159-R181 IonicContact OD1-NH1 2.72Å; D159-R181 PolarHBondContact OD1-NH1 2.87Å; D159-R181 IonicContact OD2-CZ 3.6Å; D159-R181 IonicContact OD2-NH1 3.38Å; D159-R181 PolarHBondContact OD2-NH1 3.17Å; R181-G183 PolarHBondContact O-N 3.06Å; R181-G184 PolarHBondContact O-N 2.98Å
182	N	95.9	Very high	97.9	Very high	73 Å²	73	15.4 Å²	15.4	39%	0.39	8%	0.077	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	119.7	176.1	-178	45.1	0	0	0	110.2	G184 S261	N182-G184 VanDerWaalsContact C-N 3.34Å; N182-S261 PolarHBondContact OD1-N 3.41Å
183	G	97	Very high	97.7	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	77.3	19.6	-168.7	0	0	0	0	0	112.9	R181 R258 V259	R181-G183 PolarHBondContact O-N 3.06Å; G183-R258 PolarHBondContact O-NE 2.83Å; G183-R258 PolarHBondContact O-NH1 2.63Å; G183-R258 VanDerWaalsContact O-NH1 3.13Å; G183-R258 PolarHBondContact O-NH2 2.94Å; G183-R258 VanDerWaalsContact O-NH2 3.1Å; G183-V259 WeakPolarHBondContact CA-O 3.49Å; G183-V259 PolarHBondContact N-O 3.46Å
184	G	98.1	Very high	97.6	Very high	1 Å²	1	17.5 Å²	17.5	1%	0.01	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	158.6	172.9	0	0	0	0	0	112.1	D159 R181 N182 R258 V259	D159-G184 CarbonylContact O-C 3.58Å; D159-G184 VanDerWaalsContact O-CA 3.26Å; D159-G184 WeakPolarHBondContact O-CA 3.39Å; R181-G184 PolarHBondContact O-N 2.98Å; N182-G184 VanDerWaalsContact C-N 3.34Å; G184-R258 WeakPolarHBondContact O-CA 3.36Å; G184-V259 PolarHBondContact O-N 3.23Å
185	L	98.9	Very high	97.5	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	122	175.5	-177.8	67.3	0	0	0	110.6	V55 V56 F59 D159 V160 V161 L180 L244 F256	V55-L185 HydrophobicContact CG1-CD2 4.32Å; V56-L185 HydrophobicContact CG2-CD2 4.05Å; F59-L185 HydrophobicContact CB-CD2 3.84Å; F59-L185 HydrophobicContact CD1-CB 4.15Å; F59-L185 HydrophobicContact CD1-CD2 4.23Å; F59-L185 HydrophobicContact CD2-CB 3.69Å; F59-L185 HydrophobicContact CD2-CD1 4.4Å; F59-L185 HydrophobicContact CD2-CD2 4.29Å; F59-L185 HydrophobicContact CD2-CG 4.35Å; F59-L185 HydrophobicContact CE1-CB 4.12Å; F59-L185 HydrophobicContact CE2-CB 3.6Å; F59-L185 HydrophobicContact CG-CB 3.95Å; F59-L185 HydrophobicContact CG-CD2 3.87Å; F59-L185 HydrophobicContact CG-CG 4.41Å; F59-L185 HydrophobicContact CZ-CB 3.86Å; D159-L185 PolarHBondContact O-N 3.28Å; V160-L185 VanDerWaalsContact CA-O 3.31Å; V160-L185 WeakPolarHBondContact CA-O 3.37Å; V160-L185 HydrophobicContact CG1-CB 4.36Å; V160-L185 HydrophobicContact CG1-CD2 4.18Å; V160-L185 HydrophobicContact CG1-CG 4.46Å; V160-L185 HydrophobicContact CG2-CB 4.22Å; V160-L185 HydrophobicContact CG2-CD2 4.48Å; V161-L185 PolarHBondContact N-O 2.85Å; L180-L185 WeakPolarHBondContact CD2-O 3.34Å; L185-L244 HydrophobicContact CD1-CD1 3.93Å; L185-F256 HydrophobicContact CD1-CB 4.29Å
186	L	98.9	Very high	97.5	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.005	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.3	169	-176.4	52.9	0	0	0	109.3	V161 I163 A176 V177 L180 V188 M230 F256 V257 V259	V161-L186 HydrophobicContact CB-CD1 4.1Å; V161-L186 HydrophobicContact CG1-CD1 4.07Å; I163-L186 HydrophobicContact CG1-CD1 3.99Å; A176-L186 HydrophobicContact CB-CD1 3.78Å; A176-L186 HydrophobicContact CB-CD2 4.36Å; V177-L186 HydrophobicContact CG1-CD2 4.05Å; L180-L186 HydrophobicContact CD1-CB 3.53Å; L180-L186 HydrophobicContact CD1-CD1 4.08Å; L180-L186 HydrophobicContact CD1-CD2 4.37Å; L180-L186 HydrophobicContact CD1-CG 4.17Å; L186-V188 HydrophobicContact CD1-CG2 4.1Å; L186-V188 HydrophobicContact CD2-CG2 4.11Å; L186-V188 HydrophobicContact CG-CG2 3.73Å; L186-M230 HydrophobicContact CD2-CE 3.86Å; L186-M230 HydrophobicContact CG-CE 4.27Å; L186-F256 WeakPolarHBondContact O-CA 3.42Å; L186-V257 HydrophobicContact CB-CG2 3.83Å; L186-V257 HydrophobicContact CD2-CG2 4.37Å; L186-V257 HydrophobicContact CG-CG2 4.47Å; L186-V257 PolarHBondContact N-O 2.94Å; L186-V257 PolarHBondContact O-N 3.31Å; L186-V259 HydrophobicContact CB-CG2 4.07Å; L186-V259 HydrophobicContact CD2-CG2 4.43Å
187	C	98.9	Very high	97.4	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.2	175.2	-45.1	0	0	0	0	108.8	V161 D162 I163 V255 F256	V161-C187 PolarHBondContact O-N 3.45Å; D162-C187 WeakPolarHBondContact CA-O 3.41Å; D162-C187 HydrophobicContact CB-CB 4.45Å; D162-C187 VanDerWaalsContact OD1-CB 3.32Å; D162-C187 WeakPolarHBondContact OD1-CB 3.46Å; I163-C187 PolarHBondContact N-O 3.23Å; C187-V255 CarbonylContact C-O 3.56Å; C187-V255 WeakPolarHBondContact CA-O 3.36Å; C187-F256 HydrophobicContact CB-CD1 3.89Å; C187-F256 HydrophobicContact CB-CE1 3.97Å; C187-F256 VanDerWaalsContact SG-CD1 3.6Å
188	V	98.9	Very high	97.3	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.9	-176	-176.3	0	0	0	0	110.3	I163 A169 L173 L186 L226 M230 R254 V255	I163-V188 HydrophobicContact CB-CG2 4.47Å; I163-V188 CarbonylContact O-C 3.51Å; I163-V188 WeakPolarHBondContact O-CA 3.43Å; A169-V188 HydrophobicContact CB-CG1 3.37Å; L173-V188 HydrophobicContact CD2-CG1 4.2Å; L173-V188 HydrophobicContact CD2-CG2 4.22Å; L186-V188 HydrophobicContact CD1-CG2 4.1Å; L186-V188 HydrophobicContact CD2-CG2 4.11Å; L186-V188 HydrophobicContact CG-CG2 3.73Å; V188-L226 HydrophobicContact CG1-CD2 4.35Å; V188-M230 HydrophobicContact CB-CE 4.39Å; V188-M230 HydrophobicContact CB-SD 4.49Å; V188-M230 HydrophobicContact CG2-CE 3.61Å; V188-M230 HydrophobicContact CG2-SD 4.19Å; V188-R254 CarbonylContact O-C 3.44Å; V188-R254 WeakPolarHBondContact O-CA 3.16Å; V188-R254 WeakPolarHBondContact O-CD 3.38Å; V188-V255 PolarHBondContact N-O 3.48Å; V188-V255 PolarHBondContact O-N 3.4Å
189	T	98.6	Very high	97.3	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	140.8	163.9	-48.8	0	0	0	0	109.5	N48 I163 D164 Y252 I253 R254	N48-T189 PolarHBondContact ND2-OG1 3.33Å; I163-T189 PolarHBondContact O-N 2.85Å; D164-T189 WeakPolarHBondContact OD1-CB 3.45Å; D164-T189 WeakPolarHBondContact OD1-CG2 3.42Å; D164-T189 PolarHBondContact OD1-OG1 2.83Å; T189-Y252 HydrophobicContact CG2-CD2 3.85Å; T189-Y252 HydrophobicContact CG2-CG 4.31Å; T189-I253 CarbonylContact C-O 3.02Å; T189-I253 VanDerWaalsContact CA-O 3.27Å; T189-I253 WeakPolarHBondContact CA-O 3.26Å; T189-R254 PolarHBondContact OG1-NH1 3.43Å
190	S	97.9	Very high	97.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	125	167.7	-176	0	0	0	0	109.6	G167 L196 Y208 Y252 I253	G167-S190 PolarHBondContact O-OG 2.83Å; S190-L196 WeakPolarHBondContact OG-CD1 3.22Å; S190-Y208 PolarHBondContact OG-OH 2.94Å; S190-Y252 CarbonylContact O-C 3.5Å; S190-Y252 WeakPolarHBondContact O-CA 3.21Å; S190-Y252 WeakPolarHBondContact O-CB 3.36Å; S190-I253 PolarHBondContact N-O 3.08Å; S190-I253 PolarHBondContact O-N 2.99Å
191	T	95.9	Very high	97.2	Very high	28 Å²	28	21.8 Å²	21.8	17%	0.172	13%	0.132	C	C	.	.			trans	-97.1	6.5	174.3	76.2	0	0	0	0	111.9	G167 L193	G167-T191 WeakPolarHBondContact CA-OG1 3.24Å; G167-T191 PolarHBondContact N-OG1 3.34Å; G167-T191 PolarHBondContact O-N 2.86Å; T191-L193 PolarHBondContact O-N 3Å
192	D	93.4	Very high	97.2	Very high	23 Å²	23	21.5 Å²	21.5	12%	0.123	15%	0.149	C	C	.	.			trans	-82	48.9	-178.1	-164.7	17.2	0	0	0	112.9	G167 T168 A194 V195 L196 K207	G167-D192 PolarHBondContact O-N 2.95Å; T168-D192 WeakPolarHBondContact CB-OD2 3.32Å; D192-A194 PolarHBondContact O-N 3.47Å; D192-V195 PolarHBondContact O-N 2.97Å; D192-V195 WeakPolarHBondContact OD1-CG2 3.44Å; D192-V195 WeakPolarHBondContact OD2-CB 3.33Å; D192-V195 VanDerWaalsContact OD2-CG2 3.25Å; D192-V195 WeakPolarHBondContact OD2-CG2 3.12Å; D192-L196 PolarHBondContact O-N 3.2Å; D192-K207 IonicContact OD2-NZ 2.62Å; D192-K207 PolarHBondContact OD2-NZ 3.39Å
193	L	95.7	Very high	97.3	Very high	25 Å²	25	20.9 Å²	20.9	13%	0.131	15%	0.148	C	C	.	.	H	α-helix	trans	-63.8	-27.1	-178.1	-66.8	-169.6	0	0	0	112.8	T191 V195 C197 F251 I253	T191-L193 PolarHBondContact O-N 3Å; L193-V195 VanDerWaalsContact C-N 3.26Å; L193-V195 PolarHBondContact O-N 2.95Å; L193-C197 WeakPolarHBondContact O-CA 3.48Å; L193-C197 WeakPolarHBondContact O-CB 3.43Å; L193-C197 PolarHBondContact O-N 3.09Å; L193-F251 WeakPolarHBondContact CD1-O 3.21Å; L193-F251 WeakPolarHBondContact CG-O 3.17Å; L193-I253 HydrophobicContact CD2-CD1 3.68Å; L193-I253 HydrophobicContact CD2-CG1 3.83Å
194	A	95.7	Very high	97.4	Very high	55 Å²	55	20.9 Å²	20.9	46%	0.455	15%	0.148	S	C	.	.	H	α-helix	trans	-58.6	-42.3	175.3	0	0	0	0	0	111.3	D192 S199	D192-A194 PolarHBondContact O-N 3.47Å; A194-S199 WeakPolarHBondContact O-CA 3.48Å; A194-S199 WeakPolarHBondContact O-CB 3.28Å; A194-S199 PolarHBondContact O-N 3.37Å; A194-S199 PolarHBondContact O-OG 2.83Å
195	V	97.8	Very high	97.4	Very high	6 Å²	6	25 Å²	25	4%	0.036	17%	0.168	C	C	.	.	H	α-helix	trans	-76.3	-51.9	176.7	177.3	0	0	0	0	110.9	D192 L193 C197 G198 T203 S204 K207 Y208	D192-V195 PolarHBondContact O-N 2.97Å; D192-V195 WeakPolarHBondContact OD1-CG2 3.44Å; D192-V195 WeakPolarHBondContact OD2-CB 3.33Å; D192-V195 VanDerWaalsContact OD2-CG2 3.25Å; D192-V195 WeakPolarHBondContact OD2-CG2 3.12Å; L193-V195 VanDerWaalsContact C-N 3.26Å; L193-V195 PolarHBondContact O-N 2.95Å; V195-C197 VanDerWaalsContact C-N 3.31Å; V195-C197 PolarHBondContact O-N 2.68Å; V195-G198 PolarHBondContact O-N 2.81Å; V195-T203 HydrophobicContact CG1-CG2 4.02Å; V195-T203 HydrophobicContact CG2-CG2 3.61Å; V195-S204 VanDerWaalsContact CG1-CA 3.42Å; V195-K207 HydrophobicContact CG1-CD 4.36Å; V195-Y208 HydrophobicContact CG1-CD2 4.41Å; V195-Y208 HydrophobicContact CG1-CE2 4.01Å
196	L	97.8	Very high	97.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65	-31.2	-174.8	-72.6	171.6	0	0	0	113.2	S190 D192 Y208 A212 G222 I225 L226 I253	S190-L196 WeakPolarHBondContact OG-CD1 3.22Å; D192-L196 PolarHBondContact O-N 3.2Å; L196-Y208 HydrophobicContact CD2-CD1 4.4Å; L196-Y208 HydrophobicContact CD2-CD2 3.7Å; L196-Y208 HydrophobicContact CD2-CE1 4.13Å; L196-Y208 HydrophobicContact CD2-CE2 3.38Å; L196-Y208 HydrophobicContact CD2-CG 4.2Å; L196-Y208 HydrophobicContact CG-CE2 3.88Å; L196-A212 WeakPolarHBondContact O-CB 3.44Å; L196-G222 WeakPolarHBondContact O-CA 3.36Å; L196-I225 HydrophobicContact CD2-CB 4.24Å; L196-I225 HydrophobicContact CD2-CG2 3.77Å; L196-L226 HydrophobicContact CD2-CB 4.23Å; L196-I253 HydrophobicContact CB-CD1 4.4Å; L196-I253 HydrophobicContact CD1-CD1 3.85Å
197	C	96.9	Very high	97.3	Very high	12 Å²	12	31.5 Å²	31.5	8%	0.081	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.2	23.1	179	-57.6	0	0	0	0	112.7	L193 V195 S199 T218	L193-C197 WeakPolarHBondContact O-CA 3.48Å; L193-C197 WeakPolarHBondContact O-CB 3.43Å; L193-C197 PolarHBondContact O-N 3.09Å; V195-C197 VanDerWaalsContact C-N 3.31Å; V195-C197 PolarHBondContact O-N 2.68Å; C197-S199 PolarHBondContact O-N 2.79Å; C197-T218 VanDerWaalsContact C-OG1 3.23Å; C197-T218 VanDerWaalsContact CA-OG1 3.22Å; C197-T218 WeakPolarHBondContact CA-OG1 3.47Å; C197-T218 HydrophobicContact CB-CG2 3.85Å; C197-T218 VanDerWaalsContact CB-OG1 3.25Å; C197-T218 WeakPolarHBondContact CB-OG1 3.13Å; C197-T218 PolarHBondContact O-OG1 3.39Å
198	G	96.3	Very high	97.2	Very high	4 Å²	4	31.7 Å²	31.7	4%	0.041	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	23	164	0	0	0	0	0	116.7	V195 T200 A212	V195-G198 PolarHBondContact O-N 2.81Å; G198-T200 VanDerWaalsContact C-N 3.35Å; G198-A212 WeakPolarHBondContact CA-O 3.42Å
199	S	96.9	Very high	97.2	Very high	63 Å²	63	33.1 Å²	33.1	44%	0.441	23%	0.232	S	C	.	.	S	Bend	trans	-74.8	-27.1	171	-56.4	0	0	0	0	112.4	A194 C197	A194-S199 WeakPolarHBondContact O-CA 3.48Å; A194-S199 WeakPolarHBondContact O-CB 3.28Å; A194-S199 PolarHBondContact O-N 3.37Å; A194-S199 PolarHBondContact O-OG 2.83Å; C197-S199 PolarHBondContact O-N 2.79Å
200	T	97.3	Very high	97.2	Very high	58 Å²	58	33.1 Å²	33.1	36%	0.356	23%	0.232	S	C	.	.	S	Bend	trans	-133	77.5	175.9	51.6	0	0	0	0	111	G198 G202 T203 S204	G198-T200 VanDerWaalsContact C-N 3.35Å; T200-G202 VanDerWaalsContact C-N 3.32Å; T200-G202 PolarHBondContact O-N 2.88Å; T200-T203 WeakPolarHBondContact O-CB 3.42Å; T200-T203 PolarHBondContact O-N 3.19Å; T200-S204 PolarHBondContact O-N 3.16Å; T200-S204 VanDerWaalsContact O-N 3.11Å
201	P	97.4	Very high	97.1	Very high	42 Å²	42	36 Å²	36	27%	0.273	25%	0.246	S	C	.	.	H	α-helix	trans	-53.6	-41.4	-172.7	-28.4	35.4	0	0	0	114.8	T203 S204 M205 M211 A212 I213	P201-T203 VanDerWaalsContact C-N 3.35Å; P201-T203 PolarHBondContact O-N 2.72Å; P201-S204 WeakPolarHBondContact O-CB 3.3Å; P201-S204 PolarHBondContact O-N 3.37Å; P201-S204 VanDerWaalsContact O-N 3.17Å; P201-M205 PolarHBondContact O-N 3.47Å; P201-M211 HydrophobicContact CB-CG 3.59Å; P201-M211 HydrophobicContact CB-SD 3.93Å; P201-A212 WeakPolarHBondContact CA-O 3.47Å; P201-A212 VanDerWaalsContact CB-O 3.31Å; P201-A212 WeakPolarHBondContact CB-O 3.29Å; P201-A212 WeakPolarHBondContact CG-O 3.4Å; P201-I213 HydrophobicContact CB-CG2 4.44Å; P201-I213 HydrophobicContact CG-CG2 4.33Å
202	G	97.2	Very high	97.2	Very high	60 Å²	60	34.6 Å²	34.6	62%	0.619	24%	0.238	S	C	*	.	H	α-helix	trans	-63.2	-37.6	176.8	0	0	0	0	0	113.3	T200 S204 M205 G206	T200-G202 VanDerWaalsContact C-N 3.32Å; T200-G202 PolarHBondContact O-N 2.88Å; G202-S204 VanDerWaalsContact C-N 3.34Å; G202-M205 PolarHBondContact O-N 3.11Å; G202-G206 PolarHBondContact O-N 2.91Å; G202-G206 VanDerWaalsContact O-N 3.08Å
203	T	98.3	Very high	97.4	Very high	61 Å²	61	34.8 Å²	34.8	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-67.1	-36.4	174.2	-50.1	0	0	0	0	111.6	V195 T200 P201 G206 K207	V195-T203 HydrophobicContact CG1-CG2 4.02Å; V195-T203 HydrophobicContact CG2-CG2 3.61Å; T200-T203 WeakPolarHBondContact O-CB 3.42Å; T200-T203 PolarHBondContact O-N 3.19Å; P201-T203 VanDerWaalsContact C-N 3.35Å; P201-T203 PolarHBondContact O-N 2.72Å; T203-G206 PolarHBondContact O-N 3.44Å; T203-K207 HydrophobicContact CG2-CD 4.13Å; T203-K207 HydrophobicContact CG2-CG 4.31Å; T203-K207 WeakPolarHBondContact O-CB 3.46Å; T203-K207 WeakPolarHBondContact O-CG 3.39Å; T203-K207 PolarHBondContact O-N 2.94Å
204	S	98.3	Very high	97.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-61	-47	175	-177.1	0	0	0	0	110.9	V195 T200 P201 G202 G206 K207 Y208 G210 A212	V195-S204 VanDerWaalsContact CG1-CA 3.42Å; T200-S204 PolarHBondContact O-N 3.16Å; T200-S204 VanDerWaalsContact O-N 3.11Å; P201-S204 WeakPolarHBondContact O-CB 3.3Å; P201-S204 PolarHBondContact O-N 3.37Å; P201-S204 VanDerWaalsContact O-N 3.17Å; G202-S204 VanDerWaalsContact C-N 3.34Å; S204-G206 PolarHBondContact O-N 2.73Å; S204-K207 PolarHBondContact O-N 3.16Å; S204-Y208 PolarHBondContact O-N 2.69Å; S204-G210 CarbonylContact C-O 3.58Å; S204-G210 WeakPolarHBondContact CB-O 3.5Å; S204-G210 VanDerWaalsContact O-O 3.09Å; S204-G210 PolarHBondContact OG-O 2.81Å; S204-A212 PolarHBondContact OG-N 3.12Å; S204-A212 VanDerWaalsContact OG-N 3.15Å
205	M	98	Very high	97.3	Very high	86 Å²	86	39.6 Å²	39.6	42%	0.424	25%	0.25	S	C	.	.	H	α-helix	trans	-58.5	-49.1	177.2	-177.7	58.8	88	0	0	111.3	P201 G202 K207 G209 G210 M211	P201-M205 PolarHBondContact O-N 3.47Å; G202-M205 PolarHBondContact O-N 3.11Å; M205-K207 PolarHBondContact O-N 2.64Å; M205-G209 WeakPolarHBondContact O-CA 3.38Å; M205-G209 PolarHBondContact O-N 2.89Å; M205-G210 WeakPolarHBondContact CA-O 3.36Å; M205-G210 PolarHBondContact N-O 3.41Å; M205-M211 HydrophobicContact CE-CB 4.03Å
206	G	97.9	Very high	97.1	Very high	71 Å²	71	39.9 Å²	39.9	73%	0.732	25%	0.254	S	S	*	.	H	α-helix	trans	-64.2	-35	-179.5	0	0	0	0	0	114.5	G202 T203 S204	G202-G206 PolarHBondContact O-N 2.91Å; G202-G206 VanDerWaalsContact O-N 3.08Å; T203-G206 PolarHBondContact O-N 3.44Å; S204-G206 PolarHBondContact O-N 2.73Å
207	K	98	Very high	97	Very high	68 Å²	68	40.1 Å²	40.1	30%	0.296	26%	0.256	S	S	.	.	H	α-helix	trans	-85.3	-37.1	-177.8	-71.4	-170.5	-173.7	179.8	0	114.1	T168 S170 D192 V195 T203 S204 M205	T168-K207 HydrophobicContact CG2-CD 4.18Å; S170-K207 WeakPolarHBondContact CB-O 3.44Å; S170-K207 PolarHBondContact OG-O 2.81Å; D192-K207 IonicContact OD2-NZ 2.62Å; D192-K207 PolarHBondContact OD2-NZ 3.39Å; V195-K207 HydrophobicContact CG1-CD 4.36Å; T203-K207 HydrophobicContact CG2-CD 4.13Å; T203-K207 HydrophobicContact CG2-CG 4.31Å; T203-K207 WeakPolarHBondContact O-CB 3.46Å; T203-K207 WeakPolarHBondContact O-CG 3.39Å; T203-K207 PolarHBondContact O-N 2.94Å; S204-K207 PolarHBondContact O-N 3.16Å; M205-K207 PolarHBondContact O-N 2.64Å
208	Y	98.2	Very high	97	Very high	4 Å²	4	40.7 Å²	40.7	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-124.6	2	-167.6	-56.6	-77.2	0	0	0	113.9	T168 S190 V195 L196 S204 G210 I225 L226 N228 G229	T168-Y208 PolarHBondContact OG1-OH 2.86Å; S190-Y208 PolarHBondContact OG-OH 2.94Å; V195-Y208 HydrophobicContact CG1-CD2 4.41Å; V195-Y208 HydrophobicContact CG1-CE2 4.01Å; L196-Y208 HydrophobicContact CD2-CD1 4.4Å; L196-Y208 HydrophobicContact CD2-CD2 3.7Å; L196-Y208 HydrophobicContact CD2-CE1 4.13Å; L196-Y208 HydrophobicContact CD2-CE2 3.38Å; L196-Y208 HydrophobicContact CD2-CG 4.2Å; L196-Y208 HydrophobicContact CG-CE2 3.88Å; S204-Y208 PolarHBondContact O-N 2.69Å; Y208-G210 PolarHBondContact O-N 2.82Å; Y208-I225 HydrophobicContact CD2-CG2 3.98Å; Y208-I225 HydrophobicContact CG-CG2 3.93Å; Y208-L226 HydrophobicContact CD1-CD1 4.13Å; Y208-L226 HydrophobicContact CE1-CD1 3.69Å; Y208-N228 PolarHBondContact O-ND2 3.43Å; Y208-N228 VanDerWaalsContact O-ND2 3.13Å; Y208-G229 WeakPolarHBondContact O-CA 3.47Å
209	G	97.6	Very high	97	Very high	30 Å²	30	43.1 Å²	43.1	31%	0.309	27%	0.269	S	S	.	.	S	Bend	trans	66.8	22.4	-177.1	0	0	0	0	0	113.4	M205 N228 P324	M205-G209 WeakPolarHBondContact O-CA 3.38Å; M205-G209 PolarHBondContact O-N 2.89Å; G209-N228 PolarHBondContact O-ND2 2.98Å; G209-P324 WeakPolarHBondContact O-CD 3.25Å; G209-P324 WeakPolarHBondContact O-CG 3.48Å
210	G	97.9	Very high	97.1	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	25%	0.248	C	C	.	.	S	Bend	trans	-152.2	138.5	179	0	0	0	0	0	111.5	S204 M205 Y208	S204-G210 CarbonylContact C-O 3.58Å; S204-G210 WeakPolarHBondContact CB-O 3.5Å; S204-G210 VanDerWaalsContact O-O 3.09Å; S204-G210 PolarHBondContact OG-O 2.81Å; M205-G210 WeakPolarHBondContact CA-O 3.36Å; M205-G210 PolarHBondContact N-O 3.41Å; Y208-G210 PolarHBondContact O-N 2.82Å
211	M	97.8	Very high	97.1	Very high	59 Å²	59	37.3 Å²	37.3	29%	0.291	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-89.1	114	179.1	-173.2	173.9	67	0	0	110.7	P201 M205 I213 V321 F322 G323	P201-M211 HydrophobicContact CB-CG 3.59Å; P201-M211 HydrophobicContact CB-SD 3.93Å; M205-M211 HydrophobicContact CE-CB 4.03Å; M211-I213 HydrophobicContact CE-CG2 4.27Å; M211-I213 HydrophobicContact CG-CG2 4.34Å; M211-V321 WeakPolarHBondContact CE-O 3.41Å; M211-F322 HydrophobicContact CE-CB 4.4Å; M211-F322 WeakPolarHBondContact O-CB 3.44Å; M211-G323 PolarHBondContact N-O 2.98Å; M211-G323 PolarHBondContact O-N 3.18Å
212	A	97.8	Very high	97.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	22%	0.218	C	C	.	.			trans	-83.8	141.8	165.6	0	0	0	0	0	110.6	L196 G198 P201 S204 V221 I225	L196-A212 WeakPolarHBondContact O-CB 3.44Å; G198-A212 WeakPolarHBondContact CA-O 3.42Å; P201-A212 WeakPolarHBondContact CA-O 3.47Å; P201-A212 VanDerWaalsContact CB-O 3.31Å; P201-A212 WeakPolarHBondContact CB-O 3.29Å; P201-A212 WeakPolarHBondContact CG-O 3.4Å; S204-A212 PolarHBondContact OG-N 3.12Å; S204-A212 VanDerWaalsContact OG-N 3.15Å; A212-V221 HydrophobicContact CB-CG1 4.24Å; A212-I225 HydrophobicContact CB-CG1 4.21Å
213	I	96.8	Very high	97.2	Very high	26 Å²	26	32.5 Å²	32.5	13%	0.133	19%	0.189	C	C	.	.			trans	-127.8	161.6	170	67.4	173.2	0	0	0	109.7	P201 M211 T215 I278 H320 F322	P201-I213 HydrophobicContact CB-CG2 4.44Å; P201-I213 HydrophobicContact CG-CG2 4.33Å; M211-I213 HydrophobicContact CE-CG2 4.27Å; M211-I213 HydrophobicContact CG-CG2 4.34Å; I213-T215 HydrophobicContact CD1-CG2 4.27Å; I213-T215 HydrophobicContact CG1-CG2 3.73Å; I213-T215 PolarHBondContact O-N 3.15Å; I213-T215 VanDerWaalsContact O-N 3.16Å; I213-I278 HydrophobicContact CD1-CG2 3.89Å; I213-H320 HydrophobicContact CD1-CB 3.82Å; I213-F322 HydrophobicContact CB-CB 4.4Å; I213-F322 HydrophobicContact CD1-CB 3.88Å; I213-F322 HydrophobicContact CD1-CD1 3.71Å; I213-F322 HydrophobicContact CD1-CG 4.05Å; I213-F322 HydrophobicContact CG1-CB 3.75Å; I213-F322 HydrophobicContact CG1-CD1 3.88Å; I213-F322 HydrophobicContact CG1-CG 3.83Å; I213-F322 HydrophobicContact CG2-CB 3.94Å
214	K	94.9	Very high	97.2	Very high	160 Å²	160	29.7 Å²	29.7	70%	0.696	17%	0.171	S	C	*	.			trans	-66.3	115.2	174.4	-66.2	-175.5	-179	177.8	0	109.9
215	T	94	Very high	97.3	Very high	21 Å²	21	29.7 Å²	29.7	13%	0.129	17%	0.171	C	C	.	.			trans	-130.8	173.5	175.3	65.4	0	0	0	0	110	I213 S217 T218 I278 F322	I213-T215 HydrophobicContact CD1-CG2 4.27Å; I213-T215 HydrophobicContact CG1-CG2 3.73Å; I213-T215 PolarHBondContact O-N 3.15Å; I213-T215 VanDerWaalsContact O-N 3.16Å; T215-S217 PolarHBondContact O-N 3.32Å; T215-S217 PolarHBondContact OG1-N 2.83Å; T215-T218 PolarHBondContact OG1-N 3.26Å; T215-I278 HydrophobicContact CG2-CD1 3.71Å; T215-I278 HydrophobicContact CG2-CG2 4.36Å; T215-F322 HydrophobicContact CG2-CE1 4.2Å; T215-F322 HydrophobicContact CG2-CZ 4.38Å
216	G	93.3	Very high	97.3	Very high	12 Å²	12	25.6 Å²	25.6	12%	0.124	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-34.3	168.8	0	0	0	0	0	112.7	T218 I417 Q420	G216-T218 PolarHBondContact O-N 3.22Å; G216-I417 WeakPolarHBondContact O-CG1 3.4Å; G216-Q420 VanDerWaalsContact CA-OE1 3.25Å
217	S	96.8	Very high	97.3	Very high	6 Å²	6	22.2 Å²	22.2	4%	0.042	12%	0.116	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	30.2	-175.7	-10.8	0	0	0	0	113.3	T215 H219 E220 V221 Y415	T215-S217 PolarHBondContact O-N 3.32Å; T215-S217 PolarHBondContact OG1-N 2.83Å; S217-H219 VanDerWaalsContact C-N 3.25Å; S217-H219 PolarHBondContact O-N 3.01Å; S217-H219 VanDerWaalsContact O-N 3.1Å; S217-E220 PolarHBondContact O-N 2.66Å; S217-V221 WeakPolarHBondContact O-CG2 3.17Å; S217-V221 PolarHBondContact O-N 2.91Å; S217-Y415 VanDerWaalsContact CA-CE2 3.47Å; S217-Y415 WeakPolarHBondContact CB-O 3.43Å; S217-Y415 PolarHBondContact OG-O 3.48Å
218	T	96.4	Very high	97.4	Very high	23 Å²	23	19 Å²	19	14%	0.141	10%	0.102	C	C	.	.	H	α-helix	trans	-56.8	-35.4	-166.6	-156.2	0	0	0	0	114.2	C197 T215 G216 V221 G222	C197-T218 VanDerWaalsContact C-OG1 3.23Å; C197-T218 VanDerWaalsContact CA-OG1 3.22Å; C197-T218 WeakPolarHBondContact CA-OG1 3.47Å; C197-T218 HydrophobicContact CB-CG2 3.85Å; C197-T218 VanDerWaalsContact CB-OG1 3.25Å; C197-T218 WeakPolarHBondContact CB-OG1 3.13Å; C197-T218 PolarHBondContact O-OG1 3.39Å; T215-T218 PolarHBondContact OG1-N 3.26Å; G216-T218 PolarHBondContact O-N 3.22Å; T218-V221 PolarHBondContact O-N 3.44Å; T218-G222 PolarHBondContact O-N 2.88Å
219	H	97.1	Very high	97.4	Very high	55 Å²	55	19.1 Å²	19.1	26%	0.255	11%	0.105	S	C	.	.	H	α-helix	trans	-68.8	-40.7	178.4	-67.3	-75.8	0	0	0	112.3	S217 G222 L223 S248 A451	S217-H219 VanDerWaalsContact C-N 3.25Å; S217-H219 PolarHBondContact O-N 3.01Å; S217-H219 VanDerWaalsContact O-N 3.1Å; H219-G222 PolarHBondContact O-N 3.42Å; H219-L223 PolarHBondContact O-N 3.06Å; H219-L223 VanDerWaalsContact O-N 3.08Å; H219-S248 PolarHBondContact ND1-OG 3.32Å; H219-A451 HydrophobicContact CB-CB 3.96Å
220	E	97.8	Very high	97.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-71.4	-38.1	173.1	177.3	160.6	-159.6	0	0	112.1	S217 G222 L223 R224 L330 L414 Y415 K457	S217-E220 PolarHBondContact O-N 2.66Å; E220-G222 VanDerWaalsContact C-N 3.26Å; E220-G222 PolarHBondContact O-N 3.49Å; E220-L223 WeakPolarHBondContact O-CB 3.32Å; E220-L223 PolarHBondContact O-N 3.09Å; E220-R224 HydrophobicContact CG-CG 4.42Å; E220-R224 VanDerWaalsContact O-CG 3.31Å; E220-R224 WeakPolarHBondContact O-CG 3.23Å; E220-R224 PolarHBondContact O-N 3.46Å; E220-R224 IonicContact OE1-CZ 3.51Å; E220-R224 IonicContact OE1-NE 2.93Å; E220-R224 PolarHBondContact OE1-NE 3.39Å; E220-R224 IonicContact OE1-NH2 2.89Å; E220-R224 PolarHBondContact OE1-NH2 3.03Å; E220-L330 HydrophobicContact CG-CD1 4.07Å; E220-L330 WeakPolarHBondContact OE1-CD1 3.04Å; E220-L414 HydrophobicContact CG-CD2 4.16Å; E220-Y415 HydrophobicContact CB-CD1 4.2Å; E220-Y415 HydrophobicContact CB-CE1 3.61Å; E220-Y415 WeakPolarHBondContact OE2-CD1 3.29Å; E220-Y415 WeakPolarHBondContact OE2-CE1 3.4Å; E220-K457 VanDerWaalsContact CD-NZ 3.3Å; E220-K457 WeakPolarHBondContact OE1-CE 3.46Å; E220-K457 IonicContact OE1-NZ 3.08Å; E220-K457 PolarHBondContact OE1-NZ 2.9Å; E220-K457 WeakPolarHBondContact OE2-CE 3.41Å; E220-K457 IonicContact OE2-NZ 2.76Å; E220-K457 PolarHBondContact OE2-NZ 3.46Å; E220-K457 VanDerWaalsContact OE2-NZ 3.15Å
221	V	98.2	Very high	97.5	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-56.9	-43.8	170.6	172.1	0	0	0	0	110.2	A212 S217 T218 L223 R224 I225 F322 L414	A212-V221 HydrophobicContact CB-CG1 4.24Å; S217-V221 WeakPolarHBondContact O-CG2 3.17Å; S217-V221 PolarHBondContact O-N 2.91Å; T218-V221 PolarHBondContact O-N 3.44Å; V221-L223 PolarHBondContact O-N 3.3Å; V221-R224 PolarHBondContact O-N 3.31Å; V221-I225 HydrophobicContact CG1-CG1 4.13Å; V221-I225 WeakPolarHBondContact O-CB 3.49Å; V221-I225 VanDerWaalsContact O-CG1 3.23Å; V221-I225 WeakPolarHBondContact O-CG1 3.26Å; V221-I225 PolarHBondContact O-N 3.12Å; V221-F322 HydrophobicContact CG1-CD2 4.19Å; V221-F322 HydrophobicContact CG1-CE2 3.82Å; V221-F322 HydrophobicContact CG2-CE2 3.81Å; V221-F322 HydrophobicContact CG2-CZ 4.08Å; V221-L414 HydrophobicContact CG2-CD2 3.85Å
222	G	98.2	Very high	97.5	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.4	-43.5	176	0	0	0	0	0	113.6	L196 T218 H219 E220 R224 I225 L226	L196-G222 WeakPolarHBondContact O-CA 3.36Å; T218-G222 PolarHBondContact O-N 2.88Å; H219-G222 PolarHBondContact O-N 3.42Å; E220-G222 VanDerWaalsContact C-N 3.26Å; E220-G222 PolarHBondContact O-N 3.49Å; G222-R224 VanDerWaalsContact C-N 3.32Å; G222-R224 PolarHBondContact O-N 3.49Å; G222-I225 PolarHBondContact O-N 3.22Å; G222-L226 PolarHBondContact O-N 3.2Å
223	L	98.7	Very high	97.5	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-57.9	-45.9	173	-73.4	166.1	0	0	0	111.5	H219 E220 V221 L226 L227 S246 I253 V255 L330	H219-L223 PolarHBondContact O-N 3.06Å; H219-L223 VanDerWaalsContact O-N 3.08Å; E220-L223 WeakPolarHBondContact O-CB 3.32Å; E220-L223 PolarHBondContact O-N 3.09Å; V221-L223 PolarHBondContact O-N 3.3Å; L223-L226 PolarHBondContact O-N 2.97Å; L223-L227 WeakPolarHBondContact O-CG 3.37Å; L223-L227 PolarHBondContact O-N 2.9Å; L223-S246 WeakPolarHBondContact CD1-O 3.29Å; L223-I253 HydrophobicContact CD2-CB 4.22Å; L223-I253 HydrophobicContact CD2-CD1 4.31Å; L223-I253 HydrophobicContact CD2-CG1 3.88Å; L223-I253 HydrophobicContact CD2-CG2 3.44Å; L223-I253 VanDerWaalsContact CD2-CG2 3.44Å; L223-I253 HydrophobicContact CG-CD1 4.29Å; L223-I253 HydrophobicContact CG-CG1 4.21Å; L223-V255 HydrophobicContact CD2-CG2 4.1Å; L223-L330 HydrophobicContact CB-CD2 4.2Å; L223-L330 HydrophobicContact CD1-CD1 4.32Å
224	R	98.6	Very high	97.6	Very high	3 Å²	3	17.4 Å²	17.4	1%	0.011	9%	0.091	C	C	.	.	H	α-helix	trans	-72.3	-31.6	-177.2	-66.5	177.7	177.3	-73.9	-6.2	113.5	E220 V221 G222 N228 I325 W326 G328 L330 P413	E220-R224 HydrophobicContact CG-CG 4.42Å; E220-R224 VanDerWaalsContact O-CG 3.31Å; E220-R224 WeakPolarHBondContact O-CG 3.23Å; E220-R224 PolarHBondContact O-N 3.46Å; E220-R224 IonicContact OE1-CZ 3.51Å; E220-R224 IonicContact OE1-NE 2.93Å; E220-R224 PolarHBondContact OE1-NE 3.39Å; E220-R224 IonicContact OE1-NH2 2.89Å; E220-R224 PolarHBondContact OE1-NH2 3.03Å; V221-R224 PolarHBondContact O-N 3.31Å; G222-R224 VanDerWaalsContact C-N 3.32Å; G222-R224 PolarHBondContact O-N 3.49Å; R224-N228 VanDerWaalsContact O-CB 3.27Å; R224-N228 WeakPolarHBondContact O-CB 3.2Å; R224-N228 PolarHBondContact O-N 3.39Å; R224-I325 HydrophobicContact CB-CB 3.91Å; R224-I325 HydrophobicContact CB-CD1 4.32Å; R224-I325 HydrophobicContact CB-CG1 4.44Å; R224-W326 HydrophobicContact CB-CB 4.3Å; R224-W326 WeakPolarHBondContact CB-O 3.24Å; R224-W326 VanDerWaalsContact CD-O 3.24Å; R224-W326 WeakPolarHBondContact CD-O 3.26Å; R224-W326 VanDerWaalsContact CG-O 3.25Å; R224-W326 WeakPolarHBondContact CG-O 3.33Å; R224-W326 PolarHBondContact NH1-O 2.7Å; R224-W326 VanDerWaalsContact O-CB 3.31Å; R224-W326 WeakPolarHBondContact O-CB 3.43Å; R224-W326 PolarHBondContact O-N 2.87Å; R224-G328 PolarHBondContact NH1-O 3.38Å; R224-L330 HydrophobicContact CG-CD2 3.81Å; R224-P413 PolarHBondContact NE-O 3.28Å; R224-P413 VanDerWaalsContact NH2-CA 3.27Å; R224-P413 PolarHBondContact NH2-O 3.46Å
225	I	98.6	Very high	97.7	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-67.7	-42.5	172	-70.7	-78.1	0	0	0	110.4	L196 Y208 A212 V221 G222 N228 G229 I325	L196-I225 HydrophobicContact CD2-CB 4.24Å; L196-I225 HydrophobicContact CD2-CG2 3.77Å; Y208-I225 HydrophobicContact CD2-CG2 3.98Å; Y208-I225 HydrophobicContact CG-CG2 3.93Å; A212-I225 HydrophobicContact CB-CG1 4.21Å; V221-I225 HydrophobicContact CG1-CG1 4.13Å; V221-I225 WeakPolarHBondContact O-CB 3.49Å; V221-I225 VanDerWaalsContact O-CG1 3.23Å; V221-I225 WeakPolarHBondContact O-CG1 3.26Å; V221-I225 PolarHBondContact O-N 3.12Å; G222-I225 PolarHBondContact O-N 3.22Å; I225-N228 WeakPolarHBondContact O-CB 3.27Å; I225-N228 PolarHBondContact O-N 3.05Å; I225-G229 PolarHBondContact O-N 3.38Å; I225-I325 HydrophobicContact CD1-CG2 3.69Å; I225-I325 HydrophobicContact CG1-CG2 4.02Å
226	L	98.8	Very high	97.9	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-62.7	-47.8	175.1	179.2	60.4	0	0	0	111.1	L173 V188 L196 Y208 G222 L223 N228 G229 M230 I253 V255	L173-L226 HydrophobicContact CD1-CD1 4.3Å; V188-L226 HydrophobicContact CG1-CD2 4.35Å; L196-L226 HydrophobicContact CD2-CB 4.23Å; Y208-L226 HydrophobicContact CD1-CD1 4.13Å; Y208-L226 HydrophobicContact CE1-CD1 3.69Å; G222-L226 PolarHBondContact O-N 3.2Å; L223-L226 PolarHBondContact O-N 2.97Å; L226-N228 VanDerWaalsContact C-N 3.3Å; L226-N228 PolarHBondContact O-N 2.95Å; L226-G229 PolarHBondContact O-N 3.19Å; L226-G229 VanDerWaalsContact O-N 3.16Å; L226-M230 HydrophobicContact CD1-CG 4.35Å; L226-M230 HydrophobicContact CD1-SD 4.39Å; L226-M230 HydrophobicContact CG-CG 4.45Å; L226-M230 HydrophobicContact CG-SD 4Å; L226-M230 VanDerWaalsContact O-CG 3.29Å; L226-M230 WeakPolarHBondContact O-CG 3.48Å; L226-M230 PolarHBondContact O-N 3.08Å; L226-I253 HydrophobicContact CD2-CG2 3.53Å; L226-V255 HydrophobicContact CD2-CG2 3.9Å
227	L	98.8	Very high	98.1	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-60.5	-38.1	176.2	-73.8	173.6	0	0	0	112.6	L223 M230 Q231 I241 P243 V255 V257 W326 L330	L223-L227 WeakPolarHBondContact O-CG 3.37Å; L223-L227 PolarHBondContact O-N 2.9Å; L227-M230 HydrophobicContact CD2-SD 4.37Å; L227-M230 PolarHBondContact O-N 2.97Å; L227-Q231 WeakPolarHBondContact O-CB 3.39Å; L227-Q231 PolarHBondContact O-N 3.32Å; L227-I241 HydrophobicContact CB-CD1 4.47Å; L227-I241 HydrophobicContact CD2-CD1 3.95Å; L227-I241 WeakPolarHBondContact O-CD1 3.37Å; L227-P243 HydrophobicContact CD1-CG 4.22Å; L227-P243 HydrophobicContact CD2-CB 4.27Å; L227-P243 HydrophobicContact CD2-CG 3.85Å; L227-V255 HydrophobicContact CD2-CG1 3.63Å; L227-V257 HydrophobicContact CD2-CG1 3.9Å; L227-W326 HydrophobicContact CB-CB 3.67Å; L227-W326 HydrophobicContact CB-CD2 4.3Å; L227-W326 HydrophobicContact CB-CG 3.77Å; L227-W326 HydrophobicContact CD1-CG 4.17Å; L227-L330 HydrophobicContact CD1-CD2 3.62Å
228	N	98.5	Very high	98.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-57.5	-52.2	171.9	178.6	85.6	0	0	0	110.8	Y208 G209 R224 I225 L226 M230 Q231 L232 H273	Y208-N228 PolarHBondContact O-ND2 3.43Å; Y208-N228 VanDerWaalsContact O-ND2 3.13Å; G209-N228 PolarHBondContact O-ND2 2.98Å; R224-N228 VanDerWaalsContact O-CB 3.27Å; R224-N228 WeakPolarHBondContact O-CB 3.2Å; R224-N228 PolarHBondContact O-N 3.39Å; I225-N228 WeakPolarHBondContact O-CB 3.27Å; I225-N228 PolarHBondContact O-N 3.05Å; L226-N228 VanDerWaalsContact C-N 3.3Å; L226-N228 PolarHBondContact O-N 2.95Å; N228-M230 VanDerWaalsContact C-N 3.34Å; N228-M230 PolarHBondContact O-N 3.06Å; N228-Q231 PolarHBondContact O-N 3.3Å; N228-L232 WeakPolarHBondContact ND2-CD1 3.47Å; N228-L232 VanDerWaalsContact O-CG 3.32Å; N228-L232 WeakPolarHBondContact O-CG 3.49Å; N228-L232 PolarHBondContact O-N 3.39Å; N228-H273 PolarHBondContact OD1-CE1 3.03Å; N228-H273 VanDerWaalsContact OD1-CE1 3.26Å; N228-H273 PolarHBondContact OD1-ND1 2.58Å
229	G	98.5	Very high	98.2	Very high	7 Å²	7	19.1 Å²	19.1	7%	0.072	10%	0.102	C	C	.	.	H	α-helix	trans	-60.8	-40	177.9	0	0	0	0	0	113.2	Y208 I225 L226 L232 A233	Y208-G229 WeakPolarHBondContact O-CA 3.47Å; I225-G229 PolarHBondContact O-N 3.38Å; L226-G229 PolarHBondContact O-N 3.19Å; L226-G229 VanDerWaalsContact O-N 3.16Å; G229-L232 PolarHBondContact O-N 3.09Å; G229-A233 WeakPolarHBondContact O-CB 3.3Å; G229-A233 PolarHBondContact O-N 2.89Å
230	M	98.8	Very high	98.2	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-63.9	-44.3	175.4	-69.3	174.2	72.5	0	0	112	L173 L186 V188 L226 L227 N228 A233 A234 I241 V255 V257	L173-M230 HydrophobicContact CD1-CG 3.89Å; L173-M230 HydrophobicContact CD2-CG 3.9Å; L173-M230 HydrophobicContact CG-CG 4.45Å; L186-M230 HydrophobicContact CD2-CE 3.86Å; L186-M230 HydrophobicContact CG-CE 4.27Å; V188-M230 HydrophobicContact CB-CE 4.39Å; V188-M230 HydrophobicContact CB-SD 4.49Å; V188-M230 HydrophobicContact CG2-CE 3.61Å; V188-M230 HydrophobicContact CG2-SD 4.19Å; L226-M230 HydrophobicContact CD1-CG 4.35Å; L226-M230 HydrophobicContact CD1-SD 4.39Å; L226-M230 HydrophobicContact CG-CG 4.45Å; L226-M230 HydrophobicContact CG-SD 4Å; L226-M230 VanDerWaalsContact O-CG 3.29Å; L226-M230 WeakPolarHBondContact O-CG 3.48Å; L226-M230 PolarHBondContact O-N 3.08Å; L227-M230 HydrophobicContact CD2-SD 4.37Å; L227-M230 PolarHBondContact O-N 2.97Å; N228-M230 VanDerWaalsContact C-N 3.34Å; N228-M230 PolarHBondContact O-N 3.06Å; M230-A233 PolarHBondContact O-N 3.1Å; M230-A234 WeakPolarHBondContact O-CB 3.39Å; M230-A234 PolarHBondContact O-N 2.8Å; M230-I241 HydrophobicContact CB-CD1 3.98Å; M230-V255 HydrophobicContact CE-CG1 4.3Å; M230-V255 HydrophobicContact SD-CG1 4.11Å; M230-V257 HydrophobicContact CE-CB 4.3Å; M230-V257 HydrophobicContact CE-CG1 3.77Å; M230-V257 HydrophobicContact CE-CG2 3.45Å; M230-V257 VanDerWaalsContact CE-CG2 3.45Å
231	Q	98.5	Very high	98.2	Very high	1 Å²	1	17.7 Å²	17.7	1%	0.005	10%	0.096	C	C	.	.	H	α-helix	trans	-65	-43.2	176.6	179.4	56.6	77.8	0	0	110.9	L227 N228 A233 A234 S235 K239 I241 I269 H273 W326	L227-Q231 WeakPolarHBondContact O-CB 3.39Å; L227-Q231 PolarHBondContact O-N 3.32Å; N228-Q231 PolarHBondContact O-N 3.3Å; Q231-A233 VanDerWaalsContact C-N 3.35Å; Q231-A233 PolarHBondContact O-N 3.36Å; Q231-A234 PolarHBondContact O-N 3.42Å; Q231-S235 PolarHBondContact NE2-OG 3.11Å; Q231-S235 WeakPolarHBondContact O-CB 3.26Å; Q231-S235 PolarHBondContact O-N 3.45Å; Q231-S235 PolarHBondContact O-OG 3.38Å; Q231-K239 PolarHBondContact NE2-O 3.01Å; Q231-I241 HydrophobicContact CB-CD1 3.88Å; Q231-I241 HydrophobicContact CB-CG1 3.96Å; Q231-I241 VanDerWaalsContact OE1-N 3.07Å; Q231-I269 HydrophobicContact CG-CB 4.45Å; Q231-I269 HydrophobicContact CG-CG2 4.33Å; Q231-H273 WeakPolarHBondContact CG-NE2 3.44Å; Q231-W326 HydrophobicContact CB-CE3 4.25Å; Q231-W326 HydrophobicContact CB-CZ3 4.09Å; Q231-W326 HydrophobicContact CG-CE3 4.43Å; Q231-W326 HydrophobicContact CG-CZ3 3.95Å
232	L	98.1	Very high	98.2	Very high	67 Å²	67	21.2 Å²	21.2	35%	0.351	11%	0.113	S	C	.	.	H	α-helix	trans	-60.9	-43.7	177.2	-69.7	177.2	0	0	0	111.8	N228 G229 A234 S235 Q236	N228-L232 WeakPolarHBondContact ND2-CD1 3.47Å; N228-L232 VanDerWaalsContact O-CG 3.32Å; N228-L232 WeakPolarHBondContact O-CG 3.49Å; N228-L232 PolarHBondContact O-N 3.39Å; G229-L232 PolarHBondContact O-N 3.09Å; L232-A234 PolarHBondContact O-N 2.68Å; L232-S235 PolarHBondContact O-N 3.47Å; L232-Q236 PolarHBondContact O-N 2.86Å
233	A	98.5	Very high	98.3	Very high	10 Å²	10	21.7 Å²	21.7	8%	0.083	12%	0.116	C	C	.	.	H	α-helix	trans	-60.3	-43.3	174.3	0	0	0	0	0	112.1	L173 G229 M230 Q231 H237	L173-A233 HydrophobicContact CB-CB 4.03Å; G229-A233 WeakPolarHBondContact O-CB 3.3Å; G229-A233 PolarHBondContact O-N 2.89Å; M230-A233 PolarHBondContact O-N 3.1Å; Q231-A233 VanDerWaalsContact C-N 3.35Å; Q231-A233 PolarHBondContact O-N 3.36Å; A233-H237 PolarHBondContact O-CD2 2.87Å
234	A	98.6	Very high	98.3	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-65.2	-42.6	176.7	0	0	0	0	0	112.7	V177 M230 Q231 L232 Q236 H237 K239 I241	V177-A234 HydrophobicContact CG1-CB 4.17Å; M230-A234 WeakPolarHBondContact O-CB 3.39Å; M230-A234 PolarHBondContact O-N 2.8Å; Q231-A234 PolarHBondContact O-N 3.42Å; L232-A234 PolarHBondContact O-N 2.68Å; A234-Q236 VanDerWaalsContact C-N 3.29Å; A234-Q236 PolarHBondContact O-N 2.76Å; A234-H237 PolarHBondContact O-N 3.43Å; A234-K239 CarbonylContact C-O 3.59Å; A234-K239 HydrophobicContact CB-CB 4.03Å; A234-K239 WeakPolarHBondContact O-CB 3.44Å; A234-K239 PolarHBondContact O-N 3.02Å; A234-I241 HydrophobicContact CB-CG2 3.93Å
235	S	97.7	Very high	98.3	Very high	21 Å²	21	21.7 Å²	21.7	15%	0.147	12%	0.116	C	C	.	.	H	α-helix	trans	-60.9	-35.6	-175.7	-65.1	0	0	0	0	113.1	Q231 L232 H237 G238 K239 I269	Q231-S235 PolarHBondContact NE2-OG 3.11Å; Q231-S235 WeakPolarHBondContact O-CB 3.26Å; Q231-S235 PolarHBondContact O-N 3.45Å; Q231-S235 PolarHBondContact O-OG 3.38Å; L232-S235 PolarHBondContact O-N 3.47Å; S235-H237 PolarHBondContact O-N 3.26Å; S235-G238 PolarHBondContact O-N 3.3Å; S235-K239 WeakPolarHBondContact CA-O 3.42Å; S235-K239 PolarHBondContact N-O 3.08Å; S235-I269 WeakPolarHBondContact OG-CD1 3.42Å
236	Q	97.2	Very high	98.3	Very high	139 Å²	139	21.7 Å²	21.7	65%	0.65	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-20.8	176.1	-70.9	177.6	-9	0	0	113.1	N174 L232 A234	N174-Q236 PolarHBondContact ND2-OE1 2.8Å; L232-Q236 PolarHBondContact O-N 2.86Å; A234-Q236 VanDerWaalsContact C-N 3.29Å; A234-Q236 PolarHBondContact O-N 2.76Å
237	H	97.5	Very high	98.3	Very high	71 Å²	71	21.7 Å²	21.7	33%	0.329	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.3	17.7	-179	-59.3	-70.3	0	0	0	112.9	N174 Q178 A233 A234 S235 K239	N174-H237 PolarHBondContact OD1-NE2 3.29Å; Q178-H237 PolarHBondContact NE2-CE1 2.93Å; Q178-H237 PolarHBondContact NE2-NE2 3.06Å; A233-H237 PolarHBondContact O-CD2 2.87Å; A234-H237 PolarHBondContact O-N 3.43Å; S235-H237 PolarHBondContact O-N 3.26Å; H237-K239 VanDerWaalsContact C-N 3.27Å; H237-K239 HydrophobicContact CB-CG 4.32Å; H237-K239 PolarHBondContact O-N 2.76Å
238	G	97.2	Very high	98.2	Very high	19 Å²	19	22.2 Å²	22.2	20%	0.196	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	25.6	-177.5	0	0	0	0	0	113.4	S235 S262	S235-G238 PolarHBondContact O-N 3.3Å; G238-S262 CarbonylContact O-C 3.51Å; G238-S262 VanDerWaalsContact O-C 3.28Å; G238-S262 PolarHBondContact O-N 2.69Å
239	K	98.2	Very high	98.1	Very high	9 Å²	9	22.3 Å²	22.3	4%	0.039	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	153.9	-177.4	-54	-172.3	-177.7	-175	0	112.3	V177 L180 Q231 A234 S235 H237 V259 W260 V266	V177-K239 WeakPolarHBondContact O-CD 3.38Å; V177-K239 PolarHBondContact O-NZ 3.08Å; L180-K239 PolarHBondContact O-NZ 3.41Å; Q231-K239 PolarHBondContact NE2-O 3.01Å; A234-K239 CarbonylContact C-O 3.59Å; A234-K239 HydrophobicContact CB-CB 4.03Å; A234-K239 WeakPolarHBondContact O-CB 3.44Å; A234-K239 PolarHBondContact O-N 3.02Å; S235-K239 WeakPolarHBondContact CA-O 3.42Å; S235-K239 PolarHBondContact N-O 3.08Å; H237-K239 VanDerWaalsContact C-N 3.27Å; H237-K239 HydrophobicContact CB-CG 4.32Å; H237-K239 PolarHBondContact O-N 2.76Å; K239-V259 HydrophobicContact CB-CG1 3.96Å; K239-V259 HydrophobicContact CD-CG1 3.74Å; K239-V259 HydrophobicContact CG-CG1 4.44Å; K239-W260 CarbonylContact C-O 3.55Å; K239-W260 WeakPolarHBondContact CA-O 3.28Å; K239-W260 WeakPolarHBondContact CB-O 3.26Å; K239-V266 WeakPolarHBondContact O-CG2 3.03Å
240	V	97.5	Very high	97.8	Very high	20 Å²	20	24.5 Å²	24.5	12%	0.121	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	149.8	173	-63.5	0	0	0	0	110.8	W260 V266 I269	V240-W260 HydrophobicContact CG2-CB 3.99Å; V240-W260 PolarHBondContact N-O 2.98Å; V240-W260 PolarHBondContact O-N 2.82Å; V240-V266 HydrophobicContact CG1-CB 4.48Å; V240-V266 HydrophobicContact CG1-CG2 3.74Å; V240-I269 HydrophobicContact CG1-CG2 3.99Å
241	I	98.6	Very high	97.5	Very high	4 Å²	4	25.5 Å²	25.5	2%	0.021	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	148.1	173.8	67.6	171.2	0	0	0	110.6	L227 M230 Q231 A234 V257 R258 W326	L227-I241 HydrophobicContact CB-CD1 4.47Å; L227-I241 HydrophobicContact CD2-CD1 3.95Å; L227-I241 WeakPolarHBondContact O-CD1 3.37Å; M230-I241 HydrophobicContact CB-CD1 3.98Å; Q231-I241 HydrophobicContact CB-CD1 3.88Å; Q231-I241 HydrophobicContact CB-CG1 3.96Å; Q231-I241 VanDerWaalsContact OE1-N 3.07Å; A234-I241 HydrophobicContact CB-CG2 3.93Å; I241-V257 HydrophobicContact CB-CB 4.23Å; I241-V257 HydrophobicContact CB-CG2 4.17Å; I241-V257 HydrophobicContact CD1-CG1 4.45Å; I241-V257 HydrophobicContact CG2-CG2 4.13Å; I241-R258 CarbonylContact C-O 3.59Å; I241-R258 WeakPolarHBondContact CA-O 3.47Å; I241-W326 HydrophobicContact CD1-CZ3 4.37Å; I241-W326 HydrophobicContact CG1-CH2 4.1Å; I241-W326 HydrophobicContact CG1-CZ3 4.1Å
242	E	98	Very high	97.4	Very high	74 Å²	74	25.5 Å²	25.5	35%	0.346	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	104.9	168.6	173.5	-165	-178.5	0	0	107.9	L244 V257 R258 W260	E242-L244 PolarHBondContact O-N 3.4Å; E242-V257 CarbonylContact O-C 3.52Å; E242-V257 VanDerWaalsContact O-CA 3.27Å; E242-V257 WeakPolarHBondContact O-CA 3.33Å; E242-R258 HydrophobicContact CB-CB 4.17Å; E242-R258 PolarHBondContact N-O 3.36Å; E242-R258 PolarHBondContact O-N 2.75Å; E242-W260 PolarHBondContact OE2-NE1 3.34Å
243	P	98.7	Very high	97.4	Very high	11 Å²	11	22.3 Å²	22.3	7%	0.071	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	122.6	176.3	-23	35.4	0	0	0	112.1	L227 V257 W326 L330 H331 S332	L227-P243 HydrophobicContact CD1-CG 4.22Å; L227-P243 HydrophobicContact CD2-CB 4.27Å; L227-P243 HydrophobicContact CD2-CG 3.85Å; P243-V257 HydrophobicContact CB-CG1 4.38Å; P243-V257 HydrophobicContact CG-CG1 4.43Å; P243-W326 HydrophobicContact CG-CZ2 3.8Å; P243-L330 WeakPolarHBondContact CB-O 3.15Å; P243-H331 CarbonylContact O-C 3.58Å; P243-S332 PolarHBondContact O-N 3.04Å
244	L	98.8	Very high	97.4	Very high	2 Å²	2	21.9 Å²	21.9	1%	0.01	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	-47.1	173.4	-61.6	-174.7	0	0	0	110.9	L185 E242 F256 R258 H331 S332 F335	L185-L244 HydrophobicContact CD1-CD1 3.93Å; E242-L244 PolarHBondContact O-N 3.4Å; L244-F256 HydrophobicContact CB-CB 4.45Å; L244-F256 PolarHBondContact N-O 3.05Å; L244-R258 HydrophobicContact CD1-CG 3.78Å; L244-R258 HydrophobicContact CD2-CG 3.97Å; L244-R258 HydrophobicContact CG-CG 3.96Å; L244-H331 WeakPolarHBondContact O-CA 2.99Å; L244-H331 WeakPolarHBondContact O-CB 3.27Å; L244-S332 PolarHBondContact O-N 3.04Å; L244-F335 HydrophobicContact CB-CD1 3.87Å; L244-F335 HydrophobicContact CB-CE1 4.15Å; L244-F335 HydrophobicContact CB-CG 4.12Å; L244-F335 HydrophobicContact CD1-CD2 3.96Å; L244-F335 HydrophobicContact CD1-CE1 4.46Å; L244-F335 HydrophobicContact CD1-CE2 3.88Å; L244-F335 HydrophobicContact CD1-CG 4.3Å; L244-F335 HydrophobicContact CD1-CZ 4.14Å; L244-F335 HydrophobicContact CD2-CB 4.1Å; L244-F335 HydrophobicContact CD2-CD2 4.19Å; L244-F335 HydrophobicContact CD2-CG 4.05Å; L244-F335 HydrophobicContact CG-CD2 4.49Å; L244-F335 HydrophobicContact CG-CG 4.4Å
245	L	98.9	Very high	97.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	134.1	-179.1	178	55.6	0	0	0	109.8	L51 V55 L247 V255 F256 L336 A405	L51-L245 HydrophobicContact CD1-CD2 4.06Å; L51-L245 HydrophobicContact CD2-CD2 4.5Å; V55-L245 HydrophobicContact CG2-CD2 4.37Å; L245-L247 HydrophobicContact CD1-CD1 4.22Å; L245-L247 HydrophobicContact CD1-CD2 3.56Å; L245-L247 HydrophobicContact CD1-CG 3.73Å; L245-L247 HydrophobicContact CD2-CD1 4.18Å; L245-L247 HydrophobicContact CD2-CG 4.42Å; L245-L247 HydrophobicContact CG-CD1 4.26Å; L245-L247 HydrophobicContact CG-CD2 4.34Å; L245-L247 HydrophobicContact CG-CG 3.95Å; L245-V255 CarbonylContact O-C 3.59Å; L245-V255 WeakPolarHBondContact O-CA 3.3Å; L245-F256 HydrophobicContact CB-CD2 4.1Å; L245-F256 HydrophobicContact CD2-CD2 4.42Å; L245-F256 HydrophobicContact CG-CD2 4.36Å; L245-F256 PolarHBondContact N-O 3.33Å; L245-F256 PolarHBondContact O-N 3.01Å; L245-L336 HydrophobicContact CB-CD2 4.49Å; L245-L336 HydrophobicContact CD1-CD2 4.03Å; L245-L336 HydrophobicContact CD2-CD2 4.34Å; L245-A405 HydrophobicContact CD1-CB 3.94Å
246	S	98.8	Very high	97.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	90.3	-172.2	-56.5	0	0	0	0	110.8	L223 R254 L330 H331 H450	L223-S246 WeakPolarHBondContact CD1-O 3.29Å; S246-R254 CarbonylContact C-O 3.56Å; S246-L330 VanDerWaalsContact CB-O 3.27Å; S246-L330 WeakPolarHBondContact CB-O 3.39Å; S246-L330 PolarHBondContact OG-O 3.16Å; S246-H331 PolarHBondContact N-CE1 3.29Å; S246-H331 PolarHBondContact N-ND1 3.31Å; S246-H331 PolarHBondContact O-CE1 3.1Å; S246-H450 PolarHBondContact O-CE1 3.36Å; S246-H450 VanDerWaalsContact O-CE1 3.27Å; S246-H450 PolarHBondContact O-NE2 3.03Å
247	L	98.6	Very high	97.6	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	135.2	-171.3	-59.8	-179.2	0	0	0	112.8	F47 L51 L245 V249 I253 R254 M401 A405 H450	F47-L247 HydrophobicContact CE1-CD1 4.45Å; F47-L247 HydrophobicContact CZ-CD1 4.37Å; L51-L247 HydrophobicContact CD2-CD1 3.68Å; L245-L247 HydrophobicContact CD1-CD1 4.22Å; L245-L247 HydrophobicContact CD1-CD2 3.56Å; L245-L247 HydrophobicContact CD1-CG 3.73Å; L245-L247 HydrophobicContact CD2-CD1 4.18Å; L245-L247 HydrophobicContact CD2-CG 4.42Å; L245-L247 HydrophobicContact CG-CD1 4.26Å; L245-L247 HydrophobicContact CG-CD2 4.34Å; L245-L247 HydrophobicContact CG-CG 3.95Å; L247-V249 HydrophobicContact CB-CG2 3.55Å; L247-V249 HydrophobicContact CD1-CG2 4.43Å; L247-I253 CarbonylContact O-C 3.55Å; L247-I253 WeakPolarHBondContact O-CA 3.42Å; L247-R254 PolarHBondContact N-O 3.3Å; L247-R254 PolarHBondContact O-N 3.27Å; L247-M401 HydrophobicContact CD1-CB 4.27Å; L247-M401 HydrophobicContact CD1-CE 4.39Å; L247-M401 HydrophobicContact CD2-CE 4.21Å; L247-A405 HydrophobicContact CD2-CB 4.07Å; L247-H450 WeakPolarHBondContact CA-NE2 3.42Å; L247-H450 HydrophobicContact CD2-CB 4.45Å
248	S	97.5	Very high	97.6	Very high	11 Å²	11	11 Å²	11	8%	0.077	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	122.6	155.9	-169.7	0	0	0	0	108.5	H219 H450	H219-S248 PolarHBondContact ND1-OG 3.32Å; S248-H450 PolarHBondContact N-NE2 3.09Å
249	V	95.6	Very high	97.7	Very high	2 Å²	2	10.1 Å²	10.1	1%	0.012	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	115.8	-171.1	-171.4	0	0	0	0	109.4	F47 L247 F251 Y252	F47-V249 HydrophobicContact CD1-CG1 3.63Å; F47-V249 HydrophobicContact CD1-CG2 4.38Å; F47-V249 HydrophobicContact CE1-CB 4.43Å; F47-V249 HydrophobicContact CE1-CG1 3.75Å; F47-V249 HydrophobicContact CE1-CG2 3.81Å; L247-V249 HydrophobicContact CB-CG2 3.55Å; L247-V249 HydrophobicContact CD1-CG2 4.43Å; V249-F251 PolarHBondContact O-N 3.39Å; V249-Y252 HydrophobicContact CB-CD2 4.38Å; V249-Y252 HydrophobicContact CB-CE1 4.08Å; V249-Y252 HydrophobicContact CB-CE2 3.86Å; V249-Y252 HydrophobicContact CG1-CE1 4.03Å; V249-Y252 HydrophobicContact CG1-CE2 4.35Å; V249-Y252 WeakPolarHBondContact CG1-OH 3.49Å; V249-Y252 HydrophobicContact CG2-CE2 4.29Å; V249-Y252 PolarHBondContact N-O 2.82Å; V249-Y252 WeakPolarHBondContact O-CD1 3.39Å; V249-Y252 WeakPolarHBondContact O-CE1 3.41Å; V249-Y252 PolarHBondContact O-N 3.23Å; V249-Y252 VanDerWaalsContact O-O 3.05Å
250	D	92.4	Very high	97.7	Very high	54 Å²	54	12.5 Å²	12.5	29%	0.289	6%	0.061	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-91.4	178	-54.5	-33.5	0	0	0	112.5	R397 W585	D250-R397 IonicContact OD1-CZ 3.61Å; D250-R397 IonicContact OD1-NH1 2.68Å; D250-R397 IonicContact OD1-NH2 2.97Å; D250-R397 PolarHBondContact OD1-NH2 3.26Å; D250-R397 IonicContact OD2-CZ 3.45Å; D250-R397 IonicContact OD2-NH1 3.75Å; D250-R397 PolarHBondContact OD2-NH1 2.87Å; D250-R397 IonicContact OD2-NH2 3.65Å; D250-R397 PolarHBondContact OD2-NH2 2.68Å; D250-W585 PolarHBondContact OD2-NE1 3.03Å
251	F	92.8	Very high	97.7	Very high	21 Å²	21	14.1 Å²	14.1	9%	0.092	7%	0.073	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.5	11.9	-177.7	58.1	-94.7	0	0	0	113.7	N42 V44 Q45 L193 V249 G586 P587	N42-F251 VanDerWaalsContact ND2-CZ 3.28Å; N42-F251 WeakPolarHBondContact ND2-CZ 3.45Å; V44-F251 HydrophobicContact CB-CE1 4.02Å; V44-F251 HydrophobicContact CB-CZ 4.36Å; V44-F251 HydrophobicContact CG1-CD1 4.5Å; V44-F251 HydrophobicContact CG1-CE1 3.52Å; V44-F251 HydrophobicContact CG1-CZ 4.2Å; Q45-F251 HydrophobicContact CG-CE2 4.46Å; Q45-F251 HydrophobicContact CG-CZ 4.05Å; L193-F251 WeakPolarHBondContact CD1-O 3.21Å; L193-F251 WeakPolarHBondContact CG-O 3.17Å; V249-F251 PolarHBondContact O-N 3.39Å; F251-G586 VanDerWaalsContact CD1-C 3.46Å; F251-G586 VanDerWaalsContact CD1-CA 3.48Å; F251-G586 WeakPolarHBondContact CE1-O 3.37Å; F251-P587 HydrophobicContact CB-CG 4.3Å; F251-P587 HydrophobicContact CD2-CB 3.67Å; F251-P587 HydrophobicContact CD2-CG 4.24Å; F251-P587 HydrophobicContact CE2-CB 4.05Å; F251-P587 HydrophobicContact CG-CB 4.18Å; F251-P587 HydrophobicContact CG-CG 4.28Å
252	Y	96.8	Very high	97.5	Very high	1 Å²	1	15 Å²	15	0%	0.004	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	166.4	179.7	64.3	-84.6	0	0	0	112	Q45 F47 N48 T189 S190 V249 R254	Q45-Y252 HydrophobicContact CG-CE1 4.43Å; F47-Y252 WeakPolarHBondContact CD1-OH 3.34Å; N48-Y252 HydrophobicContact CB-CE2 3.85Å; N48-Y252 WeakPolarHBondContact CB-OH 3.5Å; N48-Y252 PolarHBondContact N-OH 3.19Å; T189-Y252 HydrophobicContact CG2-CD2 3.85Å; T189-Y252 HydrophobicContact CG2-CG 4.31Å; S190-Y252 CarbonylContact O-C 3.5Å; S190-Y252 WeakPolarHBondContact O-CA 3.21Å; S190-Y252 WeakPolarHBondContact O-CB 3.36Å; V249-Y252 HydrophobicContact CB-CD2 4.38Å; V249-Y252 HydrophobicContact CB-CE1 4.08Å; V249-Y252 HydrophobicContact CB-CE2 3.86Å; V249-Y252 HydrophobicContact CG1-CE1 4.03Å; V249-Y252 HydrophobicContact CG1-CE2 4.35Å; V249-Y252 WeakPolarHBondContact CG1-OH 3.49Å; V249-Y252 HydrophobicContact CG2-CE2 4.29Å; V249-Y252 PolarHBondContact N-O 2.82Å; V249-Y252 WeakPolarHBondContact O-CD1 3.39Å; V249-Y252 WeakPolarHBondContact O-CE1 3.41Å; V249-Y252 PolarHBondContact O-N 3.23Å; V249-Y252 VanDerWaalsContact O-O 3.05Å; Y252-R254 HydrophobicContact CD2-CB 4.27Å; Y252-R254 HydrophobicContact CE2-CB 4.09Å
253	I	98.3	Very high	97.3	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	137	169.1	-81.6	162.6	0	0	0	107.7	T189 S190 L193 L196 L223 L226 L247 V255	T189-I253 CarbonylContact C-O 3.02Å; T189-I253 VanDerWaalsContact CA-O 3.27Å; T189-I253 WeakPolarHBondContact CA-O 3.26Å; S190-I253 PolarHBondContact N-O 3.08Å; S190-I253 PolarHBondContact O-N 2.99Å; L193-I253 HydrophobicContact CD2-CD1 3.68Å; L193-I253 HydrophobicContact CD2-CG1 3.83Å; L196-I253 HydrophobicContact CB-CD1 4.4Å; L196-I253 HydrophobicContact CD1-CD1 3.85Å; L223-I253 HydrophobicContact CD2-CB 4.22Å; L223-I253 HydrophobicContact CD2-CD1 4.31Å; L223-I253 HydrophobicContact CD2-CG1 3.88Å; L223-I253 HydrophobicContact CD2-CG2 3.44Å; L223-I253 VanDerWaalsContact CD2-CG2 3.44Å; L223-I253 HydrophobicContact CG-CD1 4.29Å; L223-I253 HydrophobicContact CG-CG1 4.21Å; L226-I253 HydrophobicContact CD2-CG2 3.53Å; L247-I253 CarbonylContact O-C 3.55Å; L247-I253 WeakPolarHBondContact O-CA 3.42Å; I253-V255 HydrophobicContact CG2-CG2 3.69Å
254	R	98.6	Very high	96.9	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	118.1	173.9	-178.2	58.7	168.7	179.4	-0.6	110.2	N48 L51 T52 D162 V188 T189 S246 L247 Y252 F256	N48-R254 WeakPolarHBondContact OD1-CD 3.41Å; N48-R254 WeakPolarHBondContact OD1-CG 3.46Å; N48-R254 PolarHBondContact OD1-NE 3.18Å; N48-R254 VanDerWaalsContact OD1-NE 3.16Å; L51-R254 HydrophobicContact CD2-CG 4.43Å; T52-R254 VanDerWaalsContact CG2-NH2 3.28Å; T52-R254 PolarHBondContact OG1-NH2 3.01Å; D162-R254 IonicContact OD1-CZ 3.05Å; D162-R254 IonicContact OD1-NH1 3.48Å; D162-R254 PolarHBondContact OD1-NH1 3.23Å; D162-R254 IonicContact OD1-NH2 2.76Å; D162-R254 PolarHBondContact OD1-NH2 2.88Å; V188-R254 CarbonylContact O-C 3.44Å; V188-R254 WeakPolarHBondContact O-CA 3.16Å; V188-R254 WeakPolarHBondContact O-CD 3.38Å; T189-R254 PolarHBondContact OG1-NH1 3.43Å; S246-R254 CarbonylContact C-O 3.56Å; L247-R254 PolarHBondContact N-O 3.3Å; L247-R254 PolarHBondContact O-N 3.27Å; Y252-R254 HydrophobicContact CD2-CB 4.27Å; Y252-R254 HydrophobicContact CE2-CB 4.09Å; R254-F256 HydrophobicContact CG-CD2 4.36Å; R254-F256 HydrophobicContact CG-CE2 3.56Å; R254-F256 HydrophobicContact CG-CZ 3.78Å; R254-F256 VanDerWaalsContact NE-CZ 3.3Å
255	V	98.9	Very high	96.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	136.2	-177.5	178.1	0	0	0	0	110.1	C187 V188 L223 L226 L227 M230 L245 I253 V257	C187-V255 CarbonylContact C-O 3.56Å; C187-V255 WeakPolarHBondContact CA-O 3.36Å; V188-V255 PolarHBondContact N-O 3.48Å; V188-V255 PolarHBondContact O-N 3.4Å; L223-V255 HydrophobicContact CD2-CG2 4.1Å; L226-V255 HydrophobicContact CD2-CG2 3.9Å; L227-V255 HydrophobicContact CD2-CG1 3.63Å; M230-V255 HydrophobicContact CE-CG1 4.3Å; M230-V255 HydrophobicContact SD-CG1 4.11Å; L245-V255 CarbonylContact O-C 3.59Å; L245-V255 WeakPolarHBondContact O-CA 3.3Å; I253-V255 HydrophobicContact CG2-CG2 3.69Å; V255-V257 HydrophobicContact CG1-CG1 3.55Å
256	F	98.9	Very high	96.4	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	116.3	172.9	-59.2	-86.9	0	0	0	108.3	L51 T52 V55 L185 L186 C187 L244 L245 R254	L51-F256 HydrophobicContact CD2-CE2 3.79Å; L51-F256 HydrophobicContact CD2-CZ 4.28Å; L51-F256 HydrophobicContact CG-CE2 3.9Å; L51-F256 HydrophobicContact CG-CZ 4.03Å; T52-F256 HydrophobicContact CG2-CE1 4.46Å; V55-F256 HydrophobicContact CB-CD1 4.12Å; V55-F256 HydrophobicContact CB-CE1 3.95Å; V55-F256 HydrophobicContact CB-CG 4.48Å; V55-F256 HydrophobicContact CB-CZ 4.18Å; V55-F256 HydrophobicContact CG1-CB 4.17Å; V55-F256 HydrophobicContact CG1-CD1 3.52Å; V55-F256 HydrophobicContact CG1-CD2 4.36Å; V55-F256 HydrophobicContact CG1-CE1 3.89Å; V55-F256 HydrophobicContact CG1-CG 3.77Å; V55-F256 HydrophobicContact CG1-CZ 4.44Å; V55-F256 HydrophobicContact CG2-CD2 4.29Å; V55-F256 HydrophobicContact CG2-CE1 4.35Å; V55-F256 HydrophobicContact CG2-CE2 4.08Å; V55-F256 HydrophobicContact CG2-CZ 4.1Å; L185-F256 HydrophobicContact CD1-CB 4.29Å; L186-F256 WeakPolarHBondContact O-CA 3.42Å; C187-F256 HydrophobicContact CB-CD1 3.89Å; C187-F256 HydrophobicContact CB-CE1 3.97Å; C187-F256 VanDerWaalsContact SG-CD1 3.6Å; L244-F256 HydrophobicContact CB-CB 4.45Å; L244-F256 PolarHBondContact N-O 3.05Å; L245-F256 HydrophobicContact CB-CD2 4.1Å; L245-F256 HydrophobicContact CD2-CD2 4.42Å; L245-F256 HydrophobicContact CG-CD2 4.36Å; L245-F256 PolarHBondContact N-O 3.33Å; L245-F256 PolarHBondContact O-N 3.01Å; R254-F256 HydrophobicContact CG-CD2 4.36Å; R254-F256 HydrophobicContact CG-CE2 3.56Å; R254-F256 HydrophobicContact CG-CZ 3.78Å; R254-F256 VanDerWaalsContact NE-CZ 3.3Å
257	V	98.9	Very high	96	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	146.3	176.7	-50	0	0	0	0	111.5	L186 L227 M230 I241 E242 P243 V255 V259	L186-V257 HydrophobicContact CB-CG2 3.83Å; L186-V257 HydrophobicContact CD2-CG2 4.37Å; L186-V257 HydrophobicContact CG-CG2 4.47Å; L186-V257 PolarHBondContact N-O 2.94Å; L186-V257 PolarHBondContact O-N 3.31Å; L227-V257 HydrophobicContact CD2-CG1 3.9Å; M230-V257 HydrophobicContact CE-CB 4.3Å; M230-V257 HydrophobicContact CE-CG1 3.77Å; M230-V257 HydrophobicContact CE-CG2 3.45Å; M230-V257 VanDerWaalsContact CE-CG2 3.45Å; I241-V257 HydrophobicContact CB-CB 4.23Å; I241-V257 HydrophobicContact CB-CG2 4.17Å; I241-V257 HydrophobicContact CD1-CG1 4.45Å; I241-V257 HydrophobicContact CG2-CG2 4.13Å; E242-V257 CarbonylContact O-C 3.52Å; E242-V257 VanDerWaalsContact O-CA 3.27Å; E242-V257 WeakPolarHBondContact O-CA 3.33Å; P243-V257 HydrophobicContact CB-CG1 4.38Å; P243-V257 HydrophobicContact CG-CG1 4.43Å; V255-V257 HydrophobicContact CG1-CG1 3.55Å; V257-V259 HydrophobicContact CG2-CG2 4.1Å
258	R	98.7	Very high	95.7	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.008	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	141.3	161.9	-64.9	-83.9	-63.8	-148.1	-2.3	108.9	E66 G183 G184 I241 E242 L244	E66-R258 VanDerWaalsContact CD-NH2 3.27Å; E66-R258 IonicContact OE1-CZ 2.82Å; E66-R258 IonicContact OE1-NH1 3.03Å; E66-R258 IonicContact OE1-NH2 2.7Å; E66-R258 PolarHBondContact OE1-NH2 2.85Å; E66-R258 IonicContact OE2-CZ 3.19Å; E66-R258 IonicContact OE2-NH1 3.69Å; E66-R258 PolarHBondContact OE2-NH1 2.75Å; E66-R258 VanDerWaalsContact OE2-NH1 3.12Å; E66-R258 IonicContact OE2-NH2 2.69Å; E66-R258 PolarHBondContact OE2-NH2 2.77Å; G183-R258 PolarHBondContact O-NE 2.83Å; G183-R258 PolarHBondContact O-NH1 2.63Å; G183-R258 VanDerWaalsContact O-NH1 3.13Å; G183-R258 PolarHBondContact O-NH2 2.94Å; G183-R258 VanDerWaalsContact O-NH2 3.1Å; G184-R258 WeakPolarHBondContact O-CA 3.36Å; I241-R258 CarbonylContact C-O 3.59Å; I241-R258 WeakPolarHBondContact CA-O 3.47Å; E242-R258 HydrophobicContact CB-CB 4.17Å; E242-R258 PolarHBondContact N-O 3.36Å; E242-R258 PolarHBondContact O-N 2.75Å; L244-R258 HydrophobicContact CD1-CG 3.78Å; L244-R258 HydrophobicContact CD2-CG 3.97Å; L244-R258 HydrophobicContact CG-CG 3.96Å
259	V	98.6	Very high	95.4	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.006	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	116.9	177.2	-174.4	0	0	0	0	110	V177 L180 G183 G184 L186 K239 V257	V177-V259 HydrophobicContact CB-CG1 4.32Å; V177-V259 HydrophobicContact CG1-CG1 4.45Å; V177-V259 HydrophobicContact CG1-CG2 4.4Å; L180-V259 HydrophobicContact CD1-CB 4.39Å; L180-V259 HydrophobicContact CD1-CG2 3.88Å; G183-V259 WeakPolarHBondContact CA-O 3.49Å; G183-V259 PolarHBondContact N-O 3.46Å; G184-V259 PolarHBondContact O-N 3.23Å; L186-V259 HydrophobicContact CB-CG2 4.07Å; L186-V259 HydrophobicContact CD2-CG2 4.43Å; K239-V259 HydrophobicContact CB-CG1 3.96Å; K239-V259 HydrophobicContact CD-CG1 3.74Å; K239-V259 HydrophobicContact CG-CG1 4.44Å; V257-V259 HydrophobicContact CG2-CG2 4.1Å
260	W	97.8	Very high	95.3	Very high	60 Å²	60	33 Å²	33	23%	0.227	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.2	-174.7	-63.5	102.9	0	0	0	111.5	K239 V240 E242 S262	K239-W260 CarbonylContact C-O 3.55Å; K239-W260 WeakPolarHBondContact CA-O 3.28Å; K239-W260 WeakPolarHBondContact CB-O 3.26Å; V240-W260 HydrophobicContact CG2-CB 3.99Å; V240-W260 PolarHBondContact N-O 2.98Å; V240-W260 PolarHBondContact O-N 2.82Å; E242-W260 PolarHBondContact OE2-NE1 3.34Å; W260-S262 PolarHBondContact O-N 3.37Å
261	S	96.7	Very high	95.4	Very high	53 Å²	53	31.8 Å²	31.8	37%	0.371	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	105.7	169.5	-55.4	0	0	0	0	108.7	N182	N182-S261 PolarHBondContact OD1-N 3.41Å
262	S	95.2	Very high	95.5	Very high	23 Å²	23	35 Å²	35	16%	0.161	20%	0.196	C	C	.	.			trans	-153.1	82.2	-179.6	-176.2	0	0	0	0	109.8	G238 W260 I264 S265 V266	G238-S262 CarbonylContact O-C 3.51Å; G238-S262 VanDerWaalsContact O-C 3.28Å; G238-S262 PolarHBondContact O-N 2.69Å; W260-S262 PolarHBondContact O-N 3.37Å; S262-I264 PolarHBondContact O-N 2.84Å; S262-I264 VanDerWaalsContact O-N 3.08Å; S262-S265 PolarHBondContact O-N 3.49Å; S262-S265 WeakPolarHBondContact OG-CB 3.43Å; S262-S265 PolarHBondContact OG-N 2.79Å; S262-S265 PolarHBondContact OG-OG 2.81Å; S262-V266 WeakPolarHBondContact O-CG2 3.29Å; S262-V266 PolarHBondContact O-N 2.93Å
263	P	93.9	Very high	95.5	Very high	88 Å²	88	35.4 Å²	35.4	57%	0.571	20%	0.198	S	C	*	.	H	α-helix	trans	-55.6	-28.5	177.8	-27.1	35.5	0	0	0	113.1
264	I	91	Very high	95.4	Very high	93 Å²	93	35.4 Å²	35.4	48%	0.477	20%	0.198	S	C	.	.	H	α-helix	trans	-71.6	-47.4	176.3	-47.5	176.8	0	0	0	110.4	S262 V266 K267 K298	S262-I264 PolarHBondContact O-N 2.84Å; S262-I264 VanDerWaalsContact O-N 3.08Å; I264-V266 PolarHBondContact O-N 2.98Å; I264-K267 WeakPolarHBondContact O-CB 3.21Å; I264-K267 PolarHBondContact O-N 2.82Å; I264-K267 VanDerWaalsContact O-N 3.08Å; I264-K298 HydrophobicContact CB-CD 3.99Å; I264-K298 HydrophobicContact CG2-CB 3.49Å; I264-K298 VanDerWaalsContact CG2-CB 3.49Å; I264-K298 HydrophobicContact CG2-CD 3.56Å; I264-K298 HydrophobicContact CG2-CG 4.16Å
265	S	92.2	Very high	95.4	Very high	34 Å²	34	37.5 Å²	37.5	24%	0.238	21%	0.209	C	C	.	.	H	α-helix	trans	-65	-26.6	178.2	-60.8	0	0	0	0	112.8	S262 K267 A268	S262-S265 PolarHBondContact O-N 3.49Å; S262-S265 WeakPolarHBondContact OG-CB 3.43Å; S262-S265 PolarHBondContact OG-N 2.79Å; S262-S265 PolarHBondContact OG-OG 2.81Å; S265-K267 PolarHBondContact O-N 3.25Å; S265-A268 PolarHBondContact O-N 3.31Å
266	V	93.5	Very high	95.3	Very high	29 Å²	29	37.5 Å²	37.5	18%	0.176	21%	0.209	C	C	.	.	H	α-helix	trans	-58	-34.3	172.9	172.5	0	0	0	0	111.4	K239 V240 S262 I264 A268 I269	K239-V266 WeakPolarHBondContact O-CG2 3.03Å; V240-V266 HydrophobicContact CG1-CB 4.48Å; V240-V266 HydrophobicContact CG1-CG2 3.74Å; S262-V266 WeakPolarHBondContact O-CG2 3.29Å; S262-V266 PolarHBondContact O-N 2.93Å; I264-V266 PolarHBondContact O-N 2.98Å; V266-A268 PolarHBondContact O-N 3.1Å; V266-I269 HydrophobicContact CG1-CD1 4.4Å; V266-I269 VanDerWaalsContact O-CG1 3.25Å; V266-I269 WeakPolarHBondContact O-CG1 3.44Å; V266-I269 WeakPolarHBondContact O-CG2 3.25Å; V266-I269 PolarHBondContact O-N 3.4Å
267	K	91.5	Very high	95.3	Very high	150 Å²	150	40.2 Å²	40.2	65%	0.652	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-17.4	177.5	-58.3	-178.7	-179.5	-176.2	0	113.3	I264 S265	I264-K267 WeakPolarHBondContact O-CB 3.21Å; I264-K267 PolarHBondContact O-N 2.82Å; I264-K267 VanDerWaalsContact O-N 3.08Å; S265-K267 PolarHBondContact O-N 3.25Å
268	A	91.3	Very high	95.2	Very high	24 Å²	24	41.1 Å²	41.1	20%	0.198	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	0.1	-180	0	0	0	0	0	114	S265 V266 A270 A271 V300	S265-A268 PolarHBondContact O-N 3.31Å; V266-A268 PolarHBondContact O-N 3.1Å; A268-A270 PolarHBondContact O-N 2.76Å; A268-A271 PolarHBondContact O-N 3.34Å; A268-V300 VanDerWaalsContact CA-CG2 3.48Å; A268-V300 HydrophobicContact CB-CG2 3.86Å
269	I	92.9	Very high	95.1	Very high	26 Å²	26	41 Å²	41	13%	0.133	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-67.3	-24.7	-174.8	69.9	-174.8	0	0	0	112.6	Q231 S235 V240 V266 A271 K272 H273	Q231-I269 HydrophobicContact CG-CB 4.45Å; Q231-I269 HydrophobicContact CG-CG2 4.33Å; S235-I269 WeakPolarHBondContact OG-CD1 3.42Å; V240-I269 HydrophobicContact CG1-CG2 3.99Å; V266-I269 HydrophobicContact CG1-CD1 4.4Å; V266-I269 VanDerWaalsContact O-CG1 3.25Å; V266-I269 WeakPolarHBondContact O-CG1 3.44Å; V266-I269 WeakPolarHBondContact O-CG2 3.25Å; V266-I269 PolarHBondContact O-N 3.4Å; I269-A271 PolarHBondContact O-N 3.19Å; I269-K272 WeakPolarHBondContact O-CA 3.42Å; I269-K272 WeakPolarHBondContact O-CB 3.4Å; I269-K272 PolarHBondContact O-N 3.27Å; I269-H273 PolarHBondContact O-CD2 3.06Å; I269-H273 PolarHBondContact O-N 2.82Å
270	A	93.4	Very high	94.9	Very high	33 Å²	33	44.2 Å²	44.2	27%	0.273	25%	0.245	S	C	.	.	G	3₁₀ helix	trans	-56.4	-27.2	-179.7	0	0	0	0	0	112.7	A268 K272 H273 F290 G291 V300	A268-A270 PolarHBondContact O-N 2.76Å; A270-K272 PolarHBondContact O-N 3.22Å; A270-H273 PolarHBondContact O-N 2.92Å; A270-H273 VanDerWaalsContact O-O 3.08Å; A270-F290 HydrophobicContact CB-CB 4.3Å; A270-F290 PolarHBondContact O-N 2.73Å; A270-G291 PolarHBondContact O-N 3.11Å; A270-V300 HydrophobicContact CB-CG1 3.97Å
271	A	93.1	Very high	94.8	Very high	29 Å²	29	41.9 Å²	41.9	24%	0.24	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-74.6	-9.5	173	0	0	0	0	0	114.6	A268 I269 G291 V300 I327	A268-A271 PolarHBondContact O-N 3.34Å; I269-A271 PolarHBondContact O-N 3.19Å; A271-G291 WeakPolarHBondContact CA-O 2.95Å; A271-G291 WeakPolarHBondContact CB-O 3.49Å; A271-V300 HydrophobicContact CB-CG1 4.44Å; A271-V300 HydrophobicContact CB-CG2 3.91Å; A271-I327 WeakPolarHBondContact O-CD1 3.46Å
272	K	94.9	Very high	94.8	Very high	88 Å²	88	39.4 Å²	39.4	38%	0.383	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-109.1	4.7	176	-59.5	-171.6	-177.4	-180	0	113.1	I269 A270 W326 I327	I269-K272 WeakPolarHBondContact O-CA 3.42Å; I269-K272 WeakPolarHBondContact O-CB 3.4Å; I269-K272 PolarHBondContact O-N 3.27Å; A270-K272 PolarHBondContact O-N 3.22Å; K272-W326 HydrophobicContact CB-CE3 4.06Å; K272-W326 HydrophobicContact CB-CH2 4.27Å; K272-W326 HydrophobicContact CB-CZ3 3.9Å; K272-W326 HydrophobicContact CD-CH2 3.4Å; K272-W326 VanDerWaalsContact CD-CH2 3.4Å; K272-W326 HydrophobicContact CD-CZ2 3.9Å; K272-W326 HydrophobicContact CD-CZ3 3.82Å; K272-W326 HydrophobicContact CG-CH2 4.47Å; K272-W326 CarbonylContact O-C 3.59Å; K272-W326 WeakPolarHBondContact O-CA 3.41Å; K272-I327 VanDerWaalsContact C-CG1 3.42Å; K272-I327 WeakPolarHBondContact O-CG1 3.38Å; K272-I327 PolarHBondContact O-N 3.2Å
273	H	96.9	Very high	94.9	Very high	10 Å²	10	39.9 Å²	39.9	5%	0.046	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.7	173.2	-66.5	-84.8	0	0	0	109.5	N228 Q231 I269 A270 F290 I325	N228-H273 PolarHBondContact OD1-CE1 3.03Å; N228-H273 VanDerWaalsContact OD1-CE1 3.26Å; N228-H273 PolarHBondContact OD1-ND1 2.58Å; Q231-H273 WeakPolarHBondContact CG-NE2 3.44Å; I269-H273 PolarHBondContact O-CD2 3.06Å; I269-H273 PolarHBondContact O-N 2.82Å; A270-H273 PolarHBondContact O-N 2.92Å; A270-H273 VanDerWaalsContact O-O 3.08Å; H273-F290 HydrophobicContact CB-CD2 3.78Å; H273-F290 HydrophobicContact CB-CE2 4.26Å; H273-F290 PolarHBondContact O-N 3.36Å; H273-I325 WeakPolarHBondContact CA-O 3.44Å
274	G	97.3	Very high	95	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	153.5	179	0	0	0	0	0	113.8	Q288 P324 I325	G274-Q288 CarbonylContact C-O 3.28Å; G274-Q288 WeakPolarHBondContact CA-O 3.2Å; G274-P324 CarbonylContact O-C 3.2Å; G274-P324 VanDerWaalsContact O-CA 3.26Å; G274-P324 WeakPolarHBondContact O-CA 3.31Å; G274-I325 PolarHBondContact N-O 3.07Å; G274-I325 VanDerWaalsContact N-O 3.09Å; G274-I325 PolarHBondContact O-N 2.88Å
275	I	97.7	Very high	95.3	Very high	45 Å²	45	32.9 Å²	32.9	23%	0.231	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	143.8	171.3	-65.3	176.2	0	0	0	108.4	Y277 I287 Q288 F290 V321	I275-Y277 HydrophobicContact CG2-CE2 4.3Å; I275-I287 WeakPolarHBondContact O-CA 3.28Å; I275-Q288 PolarHBondContact N-O 3.27Å; I275-Q288 PolarHBondContact O-N 2.79Å; I275-F290 HydrophobicContact CD1-CE1 3.52Å; I275-F290 HydrophobicContact CD1-CZ 3.68Å; I275-F290 HydrophobicContact CG1-CE1 3.73Å; I275-F290 HydrophobicContact CG1-CZ 3.6Å; I275-V321 HydrophobicContact CG2-CG1 3.36Å
276	C	97.7	Very high	95.5	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	138.9	-179	-61	0	0	0	0	111.4	H286 V321 F322 I325	C276-H286 CarbonylContact C-O 3.59Å; C276-H286 WeakPolarHBondContact CA-O 3.26Å; C276-V321 WeakPolarHBondContact O-CA 3.37Å; C276-F322 HydrophobicContact CB-CD1 3.66Å; C276-F322 HydrophobicContact CB-CD2 4.15Å; C276-F322 HydrophobicContact CB-CE1 3.21Å; C276-F322 HydrophobicContact CB-CE2 3.73Å; C276-F322 HydrophobicContact CB-CG 4.12Å; C276-F322 HydrophobicContact CB-CZ 3.24Å; C276-F322 PolarHBondContact N-O 2.89Å; C276-F322 PolarHBondContact O-N 2.77Å; C276-I325 WeakPolarHBondContact SG-CD1 3.35Å
277	Y	97.6	Very high	95.6	Very high	57 Å²	57	33.9 Å²	33.9	22%	0.224	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	124.5	171.2	-62	-99.6	0	0	0	107.3	I275 Y285 H286 Q288 P307 I308 F319 H320 V321	I275-Y277 HydrophobicContact CG2-CE2 4.3Å; Y277-Y285 CarbonylContact O-C 3.57Å; Y277-Y285 WeakPolarHBondContact O-CA 3.41Å; Y277-H286 PolarHBondContact N-O 3.38Å; Y277-H286 PolarHBondContact O-N 3.41Å; Y277-Q288 HydrophobicContact CE2-CB 4.03Å; Y277-P307 HydrophobicContact CD2-CG 4.08Å; Y277-P307 HydrophobicContact CE2-CG 4.12Å; Y277-I308 HydrophobicContact CG-CG2 4.43Å; Y277-F319 HydrophobicContact CD1-CB 4.34Å; Y277-H320 CarbonylContact C-O 3.59Å; Y277-H320 WeakPolarHBondContact CA-O 3.29Å; Y277-V321 HydrophobicContact CD1-CG2 3.83Å; Y277-V321 HydrophobicContact CE1-CG2 3.8Å
278	I	96.5	Very high	95.9	Very high	18 Å²	18	27.9 Å²	27.9	9%	0.092	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	131	178.3	-169.9	169.9	0	0	0	111.6	I213 T215 P280 A284 F319 H320 F322	I213-I278 HydrophobicContact CD1-CG2 3.89Å; T215-I278 HydrophobicContact CG2-CD1 3.71Å; T215-I278 HydrophobicContact CG2-CG2 4.36Å; I278-P280 WeakPolarHBondContact O-CD 3.48Å; I278-A284 CarbonylContact C-O 3.6Å; I278-A284 WeakPolarHBondContact CA-O 3.49Å; I278-F319 VanDerWaalsContact C-CD1 3.47Å; I278-F319 WeakPolarHBondContact O-CA 3.5Å; I278-H320 HydrophobicContact CG2-CB 4.02Å; I278-H320 PolarHBondContact N-O 2.99Å; I278-H320 PolarHBondContact O-N 3.44Å; I278-F322 HydrophobicContact CB-CE1 4.16Å; I278-F322 HydrophobicContact CG2-CD1 4.06Å; I278-F322 HydrophobicContact CG2-CE1 3.93Å
279	C	97	Very high	96.1	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.			trans	-83.2	118.4	-179.5	-177.2	0	0	0	0	109.7	G281 L283 A284 C312 C315 F319	C279-G281 PolarHBondContact O-N 3.23Å; C279-G281 PolarHBondContact SG-N 3.03Å; C279-L283 WeakPolarHBondContact O-CA 3.33Å; C279-L283 PolarHBondContact O-N 3.2Å; C279-A284 HydrophobicContact CB-CB 3.96Å; C279-A284 WeakPolarHBondContact CB-O 3.25Å; C279-A284 PolarHBondContact N-O 2.91Å; C279-C312 HydrophobicContact CB-CB 4.25Å; C279-C315 PolarHBondContact SG-SG 3.3Å; C279-F319 HydrophobicContact CB-CD1 3.96Å; C279-F319 HydrophobicContact CB-CE1 3.72Å; C279-F319 HydrophobicContact CB-CZ 4.48Å
280	P	94.9	Very high	96.2	Very high	69 Å²	69	32 Å²	32	45%	0.448	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.7	177	30.4	-34.6	0	0	0	113.1	I278 K318	I278-P280 WeakPolarHBondContact O-CD 3.48Å; P280-K318 WeakPolarHBondContact CD-O 3.44Å
281	G	95.8	Very high	96.2	Very high	11 Å²	11	30.6 Å²	30.6	11%	0.113	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.9	-62.7	179.5	0	0	0	0	0	112.8	C279	C279-G281 PolarHBondContact O-N 3.23Å; C279-G281 PolarHBondContact SG-N 3.03Å
282	C	96.5	Very high	96	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	-2.6	-174	65.2	0	0	0	0	114.7	A284 C312 C315 H462 L466 L548	C282-A284 PolarHBondContact O-N 2.72Å; C282-A284 VanDerWaalsContact SG-CB 3.55Å; C282-C312 PolarHBondContact SG-SG 3.25Å; C282-C315 HydrophobicContact CB-CB 4.19Å; C282-H462 PolarHBondContact O-CE1 2.89Å; C282-H462 PolarHBondContact O-NE2 3.23Å; C282-L466 HydrophobicContact CB-CD1 4.5Å; C282-L548 HydrophobicContact CB-CD1 3.93Å; C282-L548 HydrophobicContact CB-CD2 4.27Å
283	L	96.8	Very high	95.2	Very high	33 Å²	33	32.7 Å²	32.7	17%	0.173	18%	0.177	C	C	.	.			trans	69.5	10.6	-178.1	-42.9	173.7	0	0	0	114.6	C279 Y285 Y416 Q420 L421 V424	C279-L283 WeakPolarHBondContact O-CA 3.33Å; C279-L283 PolarHBondContact O-N 3.2Å; L283-Y285 PolarHBondContact O-N 2.71Å; L283-Y416 WeakPolarHBondContact O-CE1 3.12Å; L283-Q420 HydrophobicContact CD1-CB 3.48Å; L283-Q420 VanDerWaalsContact CD1-CB 3.48Å; L283-L421 HydrophobicContact CB-CD2 4.44Å; L283-L421 HydrophobicContact CD1-CD2 4.22Å; L283-L421 HydrophobicContact CD1-CG 4.48Å; L283-V424 HydrophobicContact CD1-CG2 4.16Å; L283-V424 HydrophobicContact CG-CG2 4.22Å
284	A	96.6	Very high	93.8	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.008	19%	0.192	C	C	.	.			trans	-52	136.1	166.4	0	0	0	0	0	110	I278 C279 C282 H462	I278-A284 CarbonylContact C-O 3.6Å; I278-A284 WeakPolarHBondContact CA-O 3.49Å; C279-A284 HydrophobicContact CB-CB 3.96Å; C279-A284 WeakPolarHBondContact CB-O 3.25Å; C279-A284 PolarHBondContact N-O 2.91Å; C282-A284 PolarHBondContact O-N 2.72Å; C282-A284 VanDerWaalsContact SG-CB 3.55Å; A284-H462 WeakPolarHBondContact CA-NE2 3.48Å; A284-H462 WeakPolarHBondContact CB-CD2 3.45Å; A284-H462 PolarHBondContact N-CE1 3.49Å; A284-H462 PolarHBondContact N-NE2 3.07Å
285	Y	96.5	Very high	91.7	Very high	33 Å²	33	42 Å²	42	13%	0.129	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	150	172.5	75.1	-94.6	0	0	0	110.8	Y277 L283 I287 L414 Y416	Y277-Y285 CarbonylContact O-C 3.57Å; Y277-Y285 WeakPolarHBondContact O-CA 3.41Å; L283-Y285 PolarHBondContact O-N 2.71Å; Y285-I287 HydrophobicContact CD2-CG1 4.22Å; Y285-I287 HydrophobicContact CE2-CD1 4.2Å; Y285-I287 HydrophobicContact CE2-CG1 4.34Å; Y285-L414 HydrophobicContact CD2-CB 4.49Å; Y285-L414 HydrophobicContact CD2-CD1 3.98Å; Y285-L414 HydrophobicContact CE1-CB 4.1Å; Y285-L414 HydrophobicContact CE2-CB 3.96Å; Y285-L414 HydrophobicContact CE2-CD1 4.16Å; Y285-L414 HydrophobicContact CE2-CG 4.41Å; Y285-L414 HydrophobicContact CG-CD1 4.37Å; Y285-L414 PolarHBondContact OH-O 3.48Å; Y285-Y416 HydrophobicContact CD1-CD1 4.45Å; Y285-Y416 AromaticContact CD1-CE1 3.68Å; Y285-Y416 HydrophobicContact CD1-CE1 3.68Å; Y285-Y416 AromaticContact CD1-CZ 3.88Å; Y285-Y416 HydrophobicContact CE1-CD1 4.41Å; Y285-Y416 AromaticContact CE1-CE1 3.72Å; Y285-Y416 HydrophobicContact CE1-CE1 3.72Å; Y285-Y416 HydrophobicContact CE1-CE2 4.06Å; Y285-Y416 AromaticContact CE1-CZ 3.52Å
286	H	96.8	Very high	89.8	Confident	50 Å²	50	47.6 Å²	47.6	23%	0.231	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	145.7	176.4	-56.3	-90.4	0	0	0	108.7	C276 Y277 P307 F319	C276-H286 CarbonylContact C-O 3.59Å; C276-H286 WeakPolarHBondContact CA-O 3.26Å; Y277-H286 PolarHBondContact N-O 3.38Å; Y277-H286 PolarHBondContact O-N 3.41Å; H286-P307 HydrophobicContact CB-CB 4.42Å; H286-P307 HydrophobicContact CB-CG 4.15Å; H286-F319 AromaticContact CD2-CE1 3.73Å; H286-F319 AromaticContact CD2-CZ 3.89Å; H286-F319 AromaticContact NE2-CZ 3.98Å
287	I	97	Very high	87.5	Confident	34 Å²	34	50.1 Å²	50.1	17%	0.174	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.8	-179.8	-58.6	-179.1	0	0	0	107.4	I275 Y285 P289 I327 P413	I275-I287 WeakPolarHBondContact O-CA 3.28Å; Y285-I287 HydrophobicContact CD2-CG1 4.22Å; Y285-I287 HydrophobicContact CE2-CD1 4.2Å; Y285-I287 HydrophobicContact CE2-CG1 4.34Å; I287-P289 WeakPolarHBondContact O-CD 3.46Å; I287-I327 HydrophobicContact CG2-CB 4.47Å; I287-I327 HydrophobicContact CG2-CD1 4.4Å; I287-I327 HydrophobicContact CG2-CG2 3.62Å; I287-P413 HydrophobicContact CD1-CB 3.6Å; I287-P413 HydrophobicContact CD1-CG 3.72Å
288	Q	96.8	Very high	86	Confident	25 Å²	25	52.6 Å²	52.6	12%	0.117	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	103.1	169.7	177.9	62.9	64.1	0	0	108.2	G274 I275 Y277 H304 P307	G274-Q288 CarbonylContact C-O 3.28Å; G274-Q288 WeakPolarHBondContact CA-O 3.2Å; I275-Q288 PolarHBondContact N-O 3.27Å; I275-Q288 PolarHBondContact O-N 2.79Å; Y277-Q288 HydrophobicContact CE2-CB 4.03Å; Q288-H304 PolarHBondContact NE2-O 2.69Å; Q288-H304 PolarHBondContact OE1-O 3.39Å; Q288-P307 HydrophobicContact CB-CG 4.12Å
289	P	96.1	Very high	84.7	Confident	42 Å²	42	55.6 Å²	55.6	27%	0.273	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	150.8	166.7	-20.2	33	0	0	0	110.5	I287 A303 I327	I287-P289 WeakPolarHBondContact O-CD 3.46Å; P289-A303 HydrophobicContact CB-CB 4.49Å; P289-A303 VanDerWaalsContact O-CB 3.29Å; P289-A303 WeakPolarHBondContact O-CB 3.19Å; P289-I327 HydrophobicContact CB-CD1 3.79Å; P289-I327 HydrophobicContact CG-CD1 3.83Å
290	F	95.2	Very high	83.9	Confident	95 Å²	95	56.8 Å²	56.8	42%	0.417	32%	0.321	S	S	.	.	S	Bend	trans	-78.7	-25.1	171.9	-71.6	-46.1	0	0	0	113.2	A270 H273 I275 A303 P324	A270-F290 HydrophobicContact CB-CB 4.3Å; A270-F290 PolarHBondContact O-N 2.73Å; H273-F290 HydrophobicContact CB-CD2 3.78Å; H273-F290 HydrophobicContact CB-CE2 4.26Å; H273-F290 PolarHBondContact O-N 3.36Å; I275-F290 HydrophobicContact CD1-CE1 3.52Å; I275-F290 HydrophobicContact CD1-CZ 3.68Å; I275-F290 HydrophobicContact CG1-CE1 3.73Å; I275-F290 HydrophobicContact CG1-CZ 3.6Å; F290-A303 PolarHBondContact O-N 2.74Å; F290-P324 HydrophobicContact CE2-CB 3.63Å; F290-P324 HydrophobicContact CE2-CG 4.21Å; F290-P324 HydrophobicContact CZ-CB 4.05Å
291	G	93.2	Very high	83.6	Confident	2 Å²	2	57 Å²	57	2%	0.021	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	162.5	178.1	0	0	0	0	0	114.1	A270 A271 T301	A270-G291 PolarHBondContact O-N 3.11Å; A271-G291 WeakPolarHBondContact CA-O 2.95Å; A271-G291 WeakPolarHBondContact CB-O 3.49Å; G291-T301 CarbonylContact C-O 3.54Å; G291-T301 WeakPolarHBondContact CA-O 3.39Å
292	E	88.2	Confident	83.5	Confident	89 Å²	89	60.5 Å²	60.5	42%	0.416	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.2	176.4	-71.6	169.9	-150.5	0	0	109.8	V294 V300 T301 A303 H304	E292-V294 PolarHBondContact O-N 3.21Å; E292-V300 VanDerWaalsContact O-CA 3.28Å; E292-V300 WeakPolarHBondContact O-CA 3.21Å; E292-V300 WeakPolarHBondContact O-CG1 3.13Å; E292-T301 PolarHBondContact N-O 3.46Å; E292-T301 PolarHBondContact O-N 3.37Å; E292-A303 HydrophobicContact CG-CB 3.9Å; E292-A303 WeakPolarHBondContact OE1-CA 3.48Å; E292-H304 PolarHBondContact OE1-N 3.42Å; E292-H304 VanDerWaalsContact OE1-N 3.17Å
293	A	77.5	Confident	83.3	Confident	73 Å²	73	61.5 Å²	61.5	60%	0.603	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.7	123.6	175.4	0	0	0	0	0	109.9	V300	A293-V300 HydrophobicContact CB-CG2 4.36Å
294	V	68.6	Low	83.1	Confident	61 Å²	61	67.6 Å²	67.6	37%	0.37	39%	0.385	S	S	.	.			trans	-86.2	121	177.9	-175.1	0	0	0	0	108.9	E292 T296 S297 V299 T301	E292-V294 PolarHBondContact O-N 3.21Å; V294-T296 PolarHBondContact O-N 3.38Å; V294-S297 WeakPolarHBondContact O-CB 3.34Å; V294-S297 PolarHBondContact O-N 3.26Å; V294-S297 PolarHBondContact O-OG 2.88Å; V294-V299 PolarHBondContact N-O 2.84Å; V294-T301 HydrophobicContact CG2-CG2 3.67Å
295	N	53.5	Low	82.9	Confident	145 Å²	145	70.2 Å²	70.2	78%	0.775	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	15	90.3	169.4	-74.1	-15.5	0	0	0	115.2	S297	N295-S297 PolarHBondContact O-N 3.27Å
296	T	56.7	Low	82.7	Confident	162 Å²	162	73.2 Å²	73.2	99%	0.994	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	-6.6	176	58	0	0	0	0	117.2	V294	V294-T296 PolarHBondContact O-N 3.38Å
297	S	50.9	Low	82.6	Confident	52 Å²	52	73.2 Å²	73.2	36%	0.364	44%	0.44	S	S	.	.			trans	-84.3	141.2	-176.7	74.4	0	0	0	0	110.3	V294 N295 V299	V294-S297 WeakPolarHBondContact O-CB 3.34Å; V294-S297 PolarHBondContact O-N 3.26Å; V294-S297 PolarHBondContact O-OG 2.88Å; N295-S297 PolarHBondContact O-N 3.27Å; S297-V299 PolarHBondContact O-N 2.87Å
298	K	65.3	Low	82.4	Confident	109 Å²	109	72.9 Å²	72.9	47%	0.474	44%	0.438	S	S	.	.	S	Bend	trans	-72.6	30.6	173.9	-62.1	174.4	179.8	175.1	0	111.7	I264	I264-K298 HydrophobicContact CB-CD 3.99Å; I264-K298 HydrophobicContact CG2-CB 3.49Å; I264-K298 VanDerWaalsContact CG2-CB 3.49Å; I264-K298 HydrophobicContact CG2-CD 3.56Å; I264-K298 HydrophobicContact CG2-CG 4.16Å
299	V	68.3	Low	82.3	Confident	81 Å²	81	73.6 Å²	73.6	49%	0.491	45%	0.452	S	S	.	.			trans	-128.5	139.5	-177.3	-177.1	0	0	0	0	107.9	V294 S297	V294-V299 PolarHBondContact N-O 2.84Å; S297-V299 PolarHBondContact O-N 2.87Å
300	V	81.2	Confident	82	Confident	26 Å²	26	77.2 Å²	77.2	16%	0.158	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136	-175	162.9	0	0	0	0	108.9	A268 A270 A271 E292 A293	A268-V300 VanDerWaalsContact CA-CG2 3.48Å; A268-V300 HydrophobicContact CB-CG2 3.86Å; A270-V300 HydrophobicContact CB-CG1 3.97Å; A271-V300 HydrophobicContact CB-CG1 4.44Å; A271-V300 HydrophobicContact CB-CG2 3.91Å; E292-V300 VanDerWaalsContact O-CA 3.28Å; E292-V300 WeakPolarHBondContact O-CA 3.21Å; E292-V300 WeakPolarHBondContact O-CG1 3.13Å; A293-V300 HydrophobicContact CB-CG2 4.36Å
301	T	88.8	Confident	82	Confident	72 Å²	72	77.8 Å²	77.8	44%	0.442	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	161.7	168.5	48.1	0	0	0	0	110	G291 E292 V294 A303	G291-T301 CarbonylContact C-O 3.54Å; G291-T301 WeakPolarHBondContact CA-O 3.39Å; E292-T301 PolarHBondContact N-O 3.46Å; E292-T301 PolarHBondContact O-N 3.37Å; V294-T301 HydrophobicContact CG2-CG2 3.67Å; T301-A303 PolarHBondContact O-N 3.21Å
302	A	92.3	Very high	82.1	Confident	85 Å²	85	77.8 Å²	77.8	70%	0.702	48%	0.48	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.1	135.3	170.2	0	0	0	0	0	109.8
303	A	93.3	Very high	82.4	Confident	22 Å²	22	78.1 Å²	78.1	18%	0.182	48%	0.483	C	S	.	.	P	Polyproline II helix	trans	-74.4	149.5	177.3	0	0	0	0	0	111	P289 F290 E292 T301	P289-A303 HydrophobicContact CB-CB 4.49Å; P289-A303 VanDerWaalsContact O-CB 3.29Å; P289-A303 WeakPolarHBondContact O-CB 3.19Å; F290-A303 PolarHBondContact O-N 2.74Å; E292-A303 HydrophobicContact CG-CB 3.9Å; E292-A303 WeakPolarHBondContact OE1-CA 3.48Å; T301-A303 PolarHBondContact O-N 3.21Å
304	H	93.4	Very high	83.2	Confident	161 Å²	161	75.2 Å²	75.2	75%	0.745	46%	0.457	S	S	*	.	P	Polyproline II helix	trans	-75.4	145.5	171.9	-70.7	-82.9	0	0	0	111.1	Q288 E292	Q288-H304 PolarHBondContact NE2-O 2.69Å; Q288-H304 PolarHBondContact OE1-O 3.39Å; E292-H304 PolarHBondContact OE1-N 3.42Å; E292-H304 VanDerWaalsContact OE1-N 3.17Å
305	G	91.6	Very high	84.5	Confident	56 Å²	56	72.7 Å²	72.7	58%	0.577	44%	0.442	S	S	*	.			trans	-160.6	178.4	178.5	0	0	0	0	0	112.6
306	P	92.9	Very high	86.5	Confident	95 Å²	95	66.5 Å²	66.5	62%	0.617	41%	0.413	S	S	*	.			cis	-75.3	160.8	-3.7	32.7	-36.1	0	0	0	112.6	I308	P306-I308 PolarHBondContact O-N 3.49Å
307	P	93.6	Very high	88.4	Confident	51 Å²	51	59 Å²	59	33%	0.331	37%	0.367	S	S	.	.	S	Bend	trans	-79.1	-10.4	-179	34.8	-32.9	0	0	0	112.4	Y277 H286 Q288	Y277-P307 HydrophobicContact CD2-CG 4.08Å; Y277-P307 HydrophobicContact CE2-CG 4.12Å; H286-P307 HydrophobicContact CB-CB 4.42Å; H286-P307 HydrophobicContact CB-CG 4.15Å; Q288-P307 HydrophobicContact CB-CG 4.12Å
308	I	93.8	Very high	90.5	Very high	26 Å²	26	64.4 Å²	64.4	13%	0.133	38%	0.384	C	S	.	.	S	Bend	trans	-154.4	157.4	-176.6	-162	59.3	0	0	0	110.3	Y277 P306 I313 F319	Y277-I308 HydrophobicContact CG-CG2 4.43Å; P306-I308 PolarHBondContact O-N 3.49Å; I308-I313 HydrophobicContact CD1-CG2 4.16Å; I308-F319 HydrophobicContact CG1-CE2 3.75Å; I308-F319 HydrophobicContact CG1-CZ 3.84Å; I308-F319 HydrophobicContact CG2-CD2 4.26Å; I308-F319 HydrophobicContact CG2-CE2 3.93Å; I308-F319 HydrophobicContact CG2-CZ 4.26Å
309	G	93.3	Very high	92	Very high	40 Å²	40	60.6 Å²	60.6	41%	0.412	37%	0.367	S	S	.	.			trans	-74.8	-176.3	173.3	0	0	0	0	0	114.1	Q311	G309-Q311 PolarHBondContact O-N 2.98Å
310	P	89.7	Confident	93.3	Very high	119 Å²	119	61.8 Å²	61.8	77%	0.773	37%	0.367	S	S	*	.	S	Bend	trans	-67.5	-17.5	-175.2	27.4	-35.7	0	0	0	114.3
311	Q	95	Very high	94.1	Very high	107 Å²	107	63.9 Å²	63.9	50%	0.5	38%	0.38	S	S	.	.	B	Isolated β-bridge	trans	-129.4	148.3	-179.8	-65.1	179.9	9.3	0	0	110.6	G309 I313	G309-Q311 PolarHBondContact O-N 2.98Å; Q311-I313 PolarHBondContact O-N 2.9Å
312	C	96.4	Very high	94.5	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.014	36%	0.359	C	S	.	.			trans	-65.3	124	176.2	-179.8	0	0	0	0	110.7	C279 C282 E314 G316 S317 F319	C279-C312 HydrophobicContact CB-CB 4.25Å; C282-C312 PolarHBondContact SG-SG 3.25Å; C312-E314 PolarHBondContact O-N 2.87Å; C312-E314 PolarHBondContact SG-N 3.44Å; C312-G316 WeakPolarHBondContact O-CA 3.43Å; C312-G316 PolarHBondContact O-N 3.32Å; C312-S317 WeakPolarHBondContact CB-O 3.32Å; C312-S317 PolarHBondContact N-O 3.44Å; C312-F319 VanDerWaalsContact CA-CE2 3.41Å; C312-F319 HydrophobicContact CB-CE1 4.3Å; C312-F319 HydrophobicContact CB-CE2 3.8Å; C312-F319 HydrophobicContact CB-CZ 3.59Å; C312-F319 VanDerWaalsContact N-CE2 3.35Å
313	I	94.4	Very high	94.8	Very high	96 Å²	96	56.8 Å²	56.8	49%	0.492	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-27.5	178.6	59.3	169.7	0	0	0	112.5	I308 Q311 R551	I308-I313 HydrophobicContact CD1-CG2 4.16Å; Q311-I313 PolarHBondContact O-N 2.9Å; I313-R551 PolarHBondContact O-NH2 3.33Å
314	E	95.1	Very high	95	Very high	11 Å²	11	57 Å²	57	5%	0.051	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-51.6	-177.8	-55.8	-58.5	131.8	0	0	112.4	C312 L466 L548 R551	C312-E314 PolarHBondContact O-N 2.87Å; C312-E314 PolarHBondContact SG-N 3.44Å; E314-L466 HydrophobicContact CB-CD1 3.9Å; E314-L466 HydrophobicContact CG-CD1 3.81Å; E314-L466 WeakPolarHBondContact OE2-CD1 3.37Å; E314-L548 HydrophobicContact CB-CD2 4.07Å; E314-R551 IonicContact OE1-NH1 3.21Å; E314-R551 PolarHBondContact OE1-NH1 2.97Å; E314-R551 VanDerWaalsContact OE1-NH1 3.08Å; E314-R551 IonicContact OE2-CZ 2.61Å; E314-R551 IonicContact OE2-NH1 2.68Å; E314-R551 PolarHBondContact OE2-NH1 3.18Å
315	C	95.8	Very high	95.3	Very high	8 Å²	8	49.4 Å²	49.4	5%	0.054	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.5	-5.4	-171.6	73.3	0	0	0	0	115.6	C279 C282 S317 V544 R547 L548	C279-C315 PolarHBondContact SG-SG 3.3Å; C282-C315 HydrophobicContact CB-CB 4.19Å; C315-S317 VanDerWaalsContact C-N 3.29Å; C315-S317 PolarHBondContact O-N 2.69Å; C315-S317 PolarHBondContact SG-OG 2.98Å; C315-V544 HydrophobicContact CB-CB 4.33Å; C315-V544 HydrophobicContact CB-CG1 3.78Å; C315-V544 HydrophobicContact CB-CG2 4.11Å; C315-R547 WeakPolarHBondContact O-CD 3.34Å; C315-L548 HydrophobicContact CB-CD2 4.16Å; C315-L548 HydrophobicContact CB-CG 4.35Å
316	G	95.3	Very high	95.6	Very high	16 Å²	16	46.8 Å²	46.8	17%	0.165	27%	0.266	C	S	.	.			trans	79.9	-2.9	-180	0	0	0	0	0	115.7	C312	C312-G316 WeakPolarHBondContact O-CA 3.43Å; C312-G316 PolarHBondContact O-N 3.32Å
317	S	96.5	Very high	95.8	Very high	4 Å²	4	43.5 Å²	43.5	3%	0.028	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-69.8	150.8	178.8	-51.6	0	0	0	0	111.6	C312 C315 H540	C312-S317 WeakPolarHBondContact CB-O 3.32Å; C312-S317 PolarHBondContact N-O 3.44Å; C315-S317 VanDerWaalsContact C-N 3.29Å; C315-S317 PolarHBondContact O-N 2.69Å; C315-S317 PolarHBondContact SG-OG 2.98Å; S317-H540 PolarHBondContact OG-CE1 3.41Å; S317-H540 PolarHBondContact OG-NE2 3.04Å
318	K	95.5	Very high	95.9	Very high	166 Å²	166	41.5 Å²	41.5	72%	0.722	23%	0.231	S	C	*	.	B	Isolated β-bridge	trans	-71.9	144.9	171.9	-63.8	-179.8	-179.4	177.6	0	110.6	P280	P280-K318 WeakPolarHBondContact CD-O 3.44Å
319	F	96.3	Very high	96.1	Very high	29 Å²	29	43.1 Å²	43.1	13%	0.127	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-82.7	145.2	178.7	-69	-89.4	0	0	0	112.1	Y277 I278 C279 H286 I308 C312	Y277-F319 HydrophobicContact CD1-CB 4.34Å; I278-F319 VanDerWaalsContact C-CD1 3.47Å; I278-F319 WeakPolarHBondContact O-CA 3.5Å; C279-F319 HydrophobicContact CB-CD1 3.96Å; C279-F319 HydrophobicContact CB-CE1 3.72Å; C279-F319 HydrophobicContact CB-CZ 4.48Å; H286-F319 AromaticContact CD2-CE1 3.73Å; H286-F319 AromaticContact CD2-CZ 3.89Å; H286-F319 AromaticContact NE2-CZ 3.98Å; I308-F319 HydrophobicContact CG1-CE2 3.75Å; I308-F319 HydrophobicContact CG1-CZ 3.84Å; I308-F319 HydrophobicContact CG2-CD2 4.26Å; I308-F319 HydrophobicContact CG2-CE2 3.93Å; I308-F319 HydrophobicContact CG2-CZ 4.26Å; C312-F319 VanDerWaalsContact CA-CE2 3.41Å; C312-F319 HydrophobicContact CB-CE1 4.3Å; C312-F319 HydrophobicContact CB-CE2 3.8Å; C312-F319 HydrophobicContact CB-CZ 3.59Å; C312-F319 VanDerWaalsContact N-CE2 3.35Å
320	H	96	Very high	96.3	Very high	106 Å²	106	41.5 Å²	41.5	49%	0.491	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	146.8	158.4	-66.6	-59.1	0	0	0	109.8	I213 Y277 I278	I213-H320 HydrophobicContact CD1-CB 3.82Å; Y277-H320 CarbonylContact C-O 3.59Å; Y277-H320 WeakPolarHBondContact CA-O 3.29Å; I278-H320 HydrophobicContact CG2-CB 4.02Å; I278-H320 PolarHBondContact N-O 2.99Å; I278-H320 PolarHBondContact O-N 3.44Å
321	V	96.7	Very high	96.7	Very high	69 Å²	69	36.6 Å²	36.6	42%	0.418	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	136.3	178.5	-176.2	0	0	0	0	109.4	M211 I275 C276 Y277	M211-V321 WeakPolarHBondContact CE-O 3.41Å; I275-V321 HydrophobicContact CG2-CG1 3.36Å; C276-V321 WeakPolarHBondContact O-CA 3.37Å; Y277-V321 HydrophobicContact CD1-CG2 3.83Å; Y277-V321 HydrophobicContact CE1-CG2 3.8Å
322	F	97.9	Very high	96.9	Very high	3 Å²	3	32.6 Å²	32.6	1%	0.013	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	171.6	176.4	75.8	-86.9	0	0	0	112.1	M211 I213 T215 V221 C276 I278 I325 L414	M211-F322 HydrophobicContact CE-CB 4.4Å; M211-F322 WeakPolarHBondContact O-CB 3.44Å; I213-F322 HydrophobicContact CB-CB 4.4Å; I213-F322 HydrophobicContact CD1-CB 3.88Å; I213-F322 HydrophobicContact CD1-CD1 3.71Å; I213-F322 HydrophobicContact CD1-CG 4.05Å; I213-F322 HydrophobicContact CG1-CB 3.75Å; I213-F322 HydrophobicContact CG1-CD1 3.88Å; I213-F322 HydrophobicContact CG1-CG 3.83Å; I213-F322 HydrophobicContact CG2-CB 3.94Å; T215-F322 HydrophobicContact CG2-CE1 4.2Å; T215-F322 HydrophobicContact CG2-CZ 4.38Å; V221-F322 HydrophobicContact CG1-CD2 4.19Å; V221-F322 HydrophobicContact CG1-CE2 3.82Å; V221-F322 HydrophobicContact CG2-CE2 3.81Å; V221-F322 HydrophobicContact CG2-CZ 4.08Å; C276-F322 HydrophobicContact CB-CD1 3.66Å; C276-F322 HydrophobicContact CB-CD2 4.15Å; C276-F322 HydrophobicContact CB-CE1 3.21Å; C276-F322 HydrophobicContact CB-CE2 3.73Å; C276-F322 HydrophobicContact CB-CG 4.12Å; C276-F322 HydrophobicContact CB-CZ 3.24Å; C276-F322 PolarHBondContact N-O 2.89Å; C276-F322 PolarHBondContact O-N 2.77Å; I278-F322 HydrophobicContact CB-CE1 4.16Å; I278-F322 HydrophobicContact CG2-CD1 4.06Å; I278-F322 HydrophobicContact CG2-CE1 3.93Å; F322-I325 HydrophobicContact CD2-CG2 4.26Å; F322-I325 HydrophobicContact CE2-CD1 4.46Å; F322-I325 HydrophobicContact CE2-CG2 4.11Å; F322-L414 HydrophobicContact CZ-CD1 4.22Å
323	G	98.2	Very high	96.9	Very high	6 Å²	6	36.6 Å²	36.6	6%	0.062	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	104.1	-161.2	-172.7	0	0	0	0	0	113.4	M211	M211-G323 PolarHBondContact N-O 2.98Å; M211-G323 PolarHBondContact O-N 3.18Å
324	P	98.2	Very high	97	Very high	27 Å²	27	36.8 Å²	36.8	18%	0.175	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-64.4	148.1	-0.6	28	-36.1	0	0	0	112.7	G209 G274 F290	G209-P324 WeakPolarHBondContact O-CD 3.25Å; G209-P324 WeakPolarHBondContact O-CG 3.48Å; G274-P324 CarbonylContact O-C 3.2Å; G274-P324 VanDerWaalsContact O-CA 3.26Å; G274-P324 WeakPolarHBondContact O-CA 3.31Å; F290-P324 HydrophobicContact CE2-CB 3.63Å; F290-P324 HydrophobicContact CE2-CG 4.21Å; F290-P324 HydrophobicContact CZ-CB 4.05Å
325	I	98.5	Very high	97.1	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	159.2	174.9	72.1	173.7	0	0	0	110.3	R224 I225 H273 G274 C276 F322 I327 L414	R224-I325 HydrophobicContact CB-CB 3.91Å; R224-I325 HydrophobicContact CB-CD1 4.32Å; R224-I325 HydrophobicContact CB-CG1 4.44Å; I225-I325 HydrophobicContact CD1-CG2 3.69Å; I225-I325 HydrophobicContact CG1-CG2 4.02Å; H273-I325 WeakPolarHBondContact CA-O 3.44Å; G274-I325 PolarHBondContact N-O 3.07Å; G274-I325 VanDerWaalsContact N-O 3.09Å; G274-I325 PolarHBondContact O-N 2.88Å; C276-I325 WeakPolarHBondContact SG-CD1 3.35Å; F322-I325 HydrophobicContact CD2-CG2 4.26Å; F322-I325 HydrophobicContact CE2-CD1 4.46Å; F322-I325 HydrophobicContact CE2-CG2 4.11Å; I325-I327 HydrophobicContact CD1-CG2 4.42Å; I325-I327 HydrophobicContact CG1-CG2 3.84Å; I325-I327 PolarHBondContact O-N 2.83Å; I325-L414 HydrophobicContact CD1-CD2 4.44Å
326	W	98.5	Very high	97.2	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	117	165.8	174.8	-94.1	0	0	0	110.3	R224 L227 Q231 I241 P243 K272 G328 P329	R224-W326 HydrophobicContact CB-CB 4.3Å; R224-W326 WeakPolarHBondContact CB-O 3.24Å; R224-W326 VanDerWaalsContact CD-O 3.24Å; R224-W326 WeakPolarHBondContact CD-O 3.26Å; R224-W326 VanDerWaalsContact CG-O 3.25Å; R224-W326 WeakPolarHBondContact CG-O 3.33Å; R224-W326 PolarHBondContact NH1-O 2.7Å; R224-W326 VanDerWaalsContact O-CB 3.31Å; R224-W326 WeakPolarHBondContact O-CB 3.43Å; R224-W326 PolarHBondContact O-N 2.87Å; L227-W326 HydrophobicContact CB-CB 3.67Å; L227-W326 HydrophobicContact CB-CD2 4.3Å; L227-W326 HydrophobicContact CB-CG 3.77Å; L227-W326 HydrophobicContact CD1-CG 4.17Å; Q231-W326 HydrophobicContact CB-CE3 4.25Å; Q231-W326 HydrophobicContact CB-CZ3 4.09Å; Q231-W326 HydrophobicContact CG-CE3 4.43Å; Q231-W326 HydrophobicContact CG-CZ3 3.95Å; I241-W326 HydrophobicContact CD1-CZ3 4.37Å; I241-W326 HydrophobicContact CG1-CH2 4.1Å; I241-W326 HydrophobicContact CG1-CZ3 4.1Å; P243-W326 HydrophobicContact CG-CZ2 3.8Å; K272-W326 HydrophobicContact CB-CE3 4.06Å; K272-W326 HydrophobicContact CB-CH2 4.27Å; K272-W326 HydrophobicContact CB-CZ3 3.9Å; K272-W326 HydrophobicContact CD-CH2 3.4Å; K272-W326 VanDerWaalsContact CD-CH2 3.4Å; K272-W326 HydrophobicContact CD-CZ2 3.9Å; K272-W326 HydrophobicContact CD-CZ3 3.82Å; K272-W326 HydrophobicContact CG-CH2 4.47Å; K272-W326 CarbonylContact O-C 3.59Å; K272-W326 WeakPolarHBondContact O-CA 3.41Å; W326-G328 PolarHBondContact NE1-O 2.88Å; W326-P329 PolarHBondContact NE1-O 2.95Å
327	I	97.5	Very high	97.4	Very high	26 Å²	26	38.9 Å²	38.9	13%	0.133	20%	0.201	C	C	.	.			trans	-101.2	-2.5	-179.6	62.7	168	0	0	0	112.9	A271 K272 I287 P289 I325	A271-I327 WeakPolarHBondContact O-CD1 3.46Å; K272-I327 VanDerWaalsContact C-CG1 3.42Å; K272-I327 WeakPolarHBondContact O-CG1 3.38Å; K272-I327 PolarHBondContact O-N 3.2Å; I287-I327 HydrophobicContact CG2-CB 4.47Å; I287-I327 HydrophobicContact CG2-CD1 4.4Å; I287-I327 HydrophobicContact CG2-CG2 3.62Å; P289-I327 HydrophobicContact CB-CD1 3.79Å; P289-I327 HydrophobicContact CG-CD1 3.83Å; I325-I327 HydrophobicContact CD1-CG2 4.42Å; I325-I327 HydrophobicContact CG1-CG2 3.84Å; I325-I327 PolarHBondContact O-N 2.83Å
328	G	95.9	Very high	97.4	Very high	9 Å²	9	41.6 Å²	41.6	9%	0.093	21%	0.213	C	C	.	.	S	Bend	trans	-72.6	-178.5	172.2	0	0	0	0	0	113.4	R224 W326	R224-G328 PolarHBondContact NH1-O 3.38Å; W326-G328 PolarHBondContact NE1-O 2.88Å
329	P	97.1	Very high	97.5	Very high	60 Å²	60	33.9 Å²	33.9	39%	0.39	18%	0.18	S	C	.	.			trans	-59.3	142.5	175.9	-24.4	34.7	0	0	0	112.2	W326	W326-P329 PolarHBondContact NE1-O 2.95Å
330	L	98.3	Very high	97.6	Very high	6 Å²	6	32.5 Å²	32.5	3%	0.031	17%	0.174	C	C	.	.	S	Bend	trans	-79.1	-25.4	172.7	-69.8	-178.8	0	0	0	112.5	E220 L223 R224 L227 P243 S246	E220-L330 HydrophobicContact CG-CD1 4.07Å; E220-L330 WeakPolarHBondContact OE1-CD1 3.04Å; L223-L330 HydrophobicContact CB-CD2 4.2Å; L223-L330 HydrophobicContact CD1-CD1 4.32Å; R224-L330 HydrophobicContact CG-CD2 3.81Å; L227-L330 HydrophobicContact CD1-CD2 3.62Å; P243-L330 WeakPolarHBondContact CB-O 3.15Å; S246-L330 VanDerWaalsContact CB-O 3.27Å; S246-L330 WeakPolarHBondContact CB-O 3.39Å; S246-L330 PolarHBondContact OG-O 3.16Å
331	H	98.2	Very high	97.6	Very high	17 Å²	17	29.2 Å²	29.2	8%	0.079	16%	0.163	C	C	.	.	S	Bend	trans	-141	156.3	-172.2	-39.9	-44.4	0	0	0	110	P243 L244 S246 L336 A405 H450	P243-H331 CarbonylContact O-C 3.58Å; L244-H331 WeakPolarHBondContact O-CA 2.99Å; L244-H331 WeakPolarHBondContact O-CB 3.27Å; S246-H331 PolarHBondContact N-CE1 3.29Å; S246-H331 PolarHBondContact N-ND1 3.31Å; S246-H331 PolarHBondContact O-CE1 3.1Å; H331-L336 HydrophobicContact CB-CD1 3.67Å; H331-L336 HydrophobicContact CB-CG 4.48Å; H331-A405 PolarHBondContact CD2-O 3.39Å; H331-H450 AromaticContact CE1-CE1 3.96Å; H331-H450 AromaticContact NE2-CE1 3.85Å; H331-H450 AromaticContact NE2-ND1 3.74Å
332	S	98	Very high	97.6	Very high	22 Å²	22	28.4 Å²	28.4	15%	0.154	16%	0.156	C	C	.	.			trans	-94.3	113.5	170.6	170.7	0	0	0	0	109.3	P243 L244 T334 F335 L336	P243-S332 PolarHBondContact O-N 3.04Å; L244-S332 PolarHBondContact O-N 3.04Å; S332-T334 VanDerWaalsContact C-N 3.29Å; S332-T334 PolarHBondContact O-N 3.25Å; S332-F335 PolarHBondContact O-N 2.79Å; S332-F335 PolarHBondContact OG-N 3.17Å; S332-L336 WeakPolarHBondContact O-CB 3.44Å; S332-L336 WeakPolarHBondContact O-CG 3.39Å; S332-L336 PolarHBondContact O-N 3.27Å
333	R	96.3	Very high	97.4	Very high	87 Å²	87	28.6 Å²	28.6	33%	0.328	16%	0.157	S	C	.	.	H	α-helix	trans	-60.3	-39	178.1	-81.7	-171.1	168.2	-155.5	-4.9	112.2	L336 H337 Y406 E408	R333-L336 PolarHBondContact O-N 3.05Å; R333-H337 WeakPolarHBondContact O-CB 3.21Å; R333-H337 PolarHBondContact O-N 2.74Å; R333-Y406 HydrophobicContact CB-CE2 4.35Å; R333-Y406 HydrophobicContact CG-CD2 4.45Å; R333-Y406 HydrophobicContact CG-CE2 4.49Å; R333-E408 PolarHBondContact NH2-O 2.76Å
334	T	96.5	Very high	97.2	Very high	100 Å²	100	29 Å²	29	61%	0.613	16%	0.162	S	C	*	.	H	α-helix	trans	-63.6	-46.8	177.1	-49.5	0	0	0	0	111.1	S332 L336 H337 E338	S332-T334 VanDerWaalsContact C-N 3.29Å; S332-T334 PolarHBondContact O-N 3.25Å; T334-L336 PolarHBondContact O-N 2.85Å; T334-H337 PolarHBondContact O-N 3.35Å; T334-E338 PolarHBondContact O-N 3.37Å; T334-E338 VanDerWaalsContact O-N 3.16Å
335	F	98.3	Very high	97	Very high	7 Å²	7	28.4 Å²	28.4	3%	0.031	16%	0.156	C	C	.	.	H	α-helix	trans	-61.3	-46.3	175.8	178.6	-94.8	0	0	0	111.5	V55 Q58 L62 L244 S332 H337 E338 F339	V55-F335 HydrophobicContact CG1-CE1 4.5Å; V55-F335 HydrophobicContact CG1-CZ 4.08Å; Q58-F335 HydrophobicContact CB-CE2 4.1Å; Q58-F335 HydrophobicContact CB-CZ 3.96Å; Q58-F335 HydrophobicContact CG-CD2 4.45Å; Q58-F335 HydrophobicContact CG-CE2 3.66Å; Q58-F335 HydrophobicContact CG-CZ 3.83Å; L62-F335 HydrophobicContact CD2-CD2 4.45Å; L244-F335 HydrophobicContact CB-CD1 3.87Å; L244-F335 HydrophobicContact CB-CE1 4.15Å; L244-F335 HydrophobicContact CB-CG 4.12Å; L244-F335 HydrophobicContact CD1-CD2 3.96Å; L244-F335 HydrophobicContact CD1-CE1 4.46Å; L244-F335 HydrophobicContact CD1-CE2 3.88Å; L244-F335 HydrophobicContact CD1-CG 4.3Å; L244-F335 HydrophobicContact CD1-CZ 4.14Å; L244-F335 HydrophobicContact CD2-CB 4.1Å; L244-F335 HydrophobicContact CD2-CD2 4.19Å; L244-F335 HydrophobicContact CD2-CG 4.05Å; L244-F335 HydrophobicContact CG-CD2 4.49Å; L244-F335 HydrophobicContact CG-CG 4.4Å; S332-F335 PolarHBondContact O-N 2.79Å; S332-F335 PolarHBondContact OG-N 3.17Å; F335-H337 VanDerWaalsContact C-N 3.34Å; F335-H337 PolarHBondContact O-N 3.48Å; F335-E338 PolarHBondContact O-N 2.89Å; F335-F339 HydrophobicContact CE1-CB 4.26Å; F335-F339 HydrophobicContact CE1-CG 4.42Å; F335-F339 WeakPolarHBondContact O-CB 3.28Å; F335-F339 PolarHBondContact O-N 2.91Å
336	L	98.3	Very high	96.8	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-64.6	-36.2	179.8	-75.3	-178.6	0	0	0	112.9	L245 H331 S332 R333 T334 F339 L340 A402 A405 Y406	L245-L336 HydrophobicContact CB-CD2 4.49Å; L245-L336 HydrophobicContact CD1-CD2 4.03Å; L245-L336 HydrophobicContact CD2-CD2 4.34Å; H331-L336 HydrophobicContact CB-CD1 3.67Å; H331-L336 HydrophobicContact CB-CG 4.48Å; S332-L336 WeakPolarHBondContact O-CB 3.44Å; S332-L336 WeakPolarHBondContact O-CG 3.39Å; S332-L336 PolarHBondContact O-N 3.27Å; R333-L336 PolarHBondContact O-N 3.05Å; T334-L336 PolarHBondContact O-N 2.85Å; L336-F339 HydrophobicContact CD2-CD1 4.29Å; L336-F339 PolarHBondContact O-N 3.24Å; L336-L340 VanDerWaalsContact O-CB 3.24Å; L336-L340 WeakPolarHBondContact O-CB 3.37Å; L336-L340 WeakPolarHBondContact O-CD1 3.44Å; L336-L340 VanDerWaalsContact O-CG 3.26Å; L336-L340 WeakPolarHBondContact O-CG 3.47Å; L336-L340 PolarHBondContact O-N 3.11Å; L336-A402 HydrophobicContact CD2-CB 4.39Å; L336-A405 HydrophobicContact CD1-CB 4.1Å; L336-Y406 HydrophobicContact CB-CD2 3.95Å
337	H	97.8	Very high	96.6	Very high	72 Å²	72	32.7 Å²	32.7	33%	0.333	18%	0.184	S	C	.	.	H	α-helix	trans	-62.1	-51.2	174.9	-177.6	-76.4	0	0	0	111.4	R333 T334 F335 S341 Y406	R333-H337 WeakPolarHBondContact O-CB 3.21Å; R333-H337 PolarHBondContact O-N 2.74Å; T334-H337 PolarHBondContact O-N 3.35Å; F335-H337 VanDerWaalsContact C-N 3.34Å; F335-H337 PolarHBondContact O-N 3.48Å; H337-S341 VanDerWaalsContact O-CB 3.29Å; H337-S341 WeakPolarHBondContact O-CB 3.38Å; H337-S341 PolarHBondContact O-N 2.9Å; H337-S341 PolarHBondContact O-OG 3.27Å; H337-Y406 HydrophobicContact CB-CE2 4.06Å
338	E	97.4	Very high	96	Very high	61 Å²	61	36.6 Å²	36.6	29%	0.285	20%	0.2	S	C	.	.	H	α-helix	trans	-61.2	-45.1	176.4	-68.2	-178.5	-172.5	0	0	111.2	R65 T334 F335 S341 D342	R65-E338 IonicContact NH2-OE1 3.48Å; T334-E338 PolarHBondContact O-N 3.37Å; T334-E338 VanDerWaalsContact O-N 3.16Å; F335-E338 PolarHBondContact O-N 2.89Å; E338-S341 PolarHBondContact O-N 3.15Å; E338-D342 WeakPolarHBondContact O-CB 3.32Å; E338-D342 PolarHBondContact O-N 2.71Å
339	F	98	Very high	94.7	Very high	3 Å²	3	42.4 Å²	42.4	1%	0.013	23%	0.229	C	C	.	.	H	α-helix	trans	-57.6	-52.8	178.6	178.7	-120.3	0	0	0	112	L51 A54 V55 Q58 F335 L336 S341 D342 L343 I398 A402	L51-F339 HydrophobicContact CD1-CZ 4.3Å; A54-F339 HydrophobicContact CB-CE2 3.75Å; A54-F339 HydrophobicContact CB-CZ 3.85Å; V55-F339 HydrophobicContact CG2-CE2 4.21Å; V55-F339 HydrophobicContact CG2-CZ 4.06Å; Q58-F339 HydrophobicContact CB-CD2 3.87Å; Q58-F339 HydrophobicContact CG-CB 4.13Å; Q58-F339 HydrophobicContact CG-CD2 4.02Å; F335-F339 HydrophobicContact CE1-CB 4.26Å; F335-F339 HydrophobicContact CE1-CG 4.42Å; F335-F339 WeakPolarHBondContact O-CB 3.28Å; F335-F339 PolarHBondContact O-N 2.91Å; L336-F339 HydrophobicContact CD2-CD1 4.29Å; L336-F339 PolarHBondContact O-N 3.24Å; F339-S341 PolarHBondContact O-N 2.71Å; F339-D342 PolarHBondContact O-N 3.05Å; F339-L343 HydrophobicContact CD1-CD1 4.16Å; F339-L343 HydrophobicContact CD2-CD1 4.4Å; F339-L343 HydrophobicContact CE1-CD1 3.7Å; F339-L343 HydrophobicContact CE2-CD1 3.97Å; F339-L343 HydrophobicContact CE2-CD2 4.48Å; F339-L343 HydrophobicContact CE2-CG 4.3Å; F339-L343 HydrophobicContact CZ-CD1 3.61Å; F339-L343 HydrophobicContact CZ-CG 4.43Å; F339-L343 VanDerWaalsContact O-CG 3.3Å; F339-L343 WeakPolarHBondContact O-CG 3.46Å; F339-L343 PolarHBondContact O-N 2.72Å; F339-I398 HydrophobicContact CE1-CG2 4.15Å; F339-I398 HydrophobicContact CZ-CG2 3.99Å; F339-A402 HydrophobicContact CD1-CB 4.17Å; F339-A402 HydrophobicContact CE1-CB 3.93Å
340	L	97.6	Very high	92.8	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-65.4	-38.8	179.9	-74.5	167.5	0	0	0	111.8	L336 D342 L343 G344 Y345 P347 A402 Y406	L336-L340 VanDerWaalsContact O-CB 3.24Å; L336-L340 WeakPolarHBondContact O-CB 3.37Å; L336-L340 WeakPolarHBondContact O-CD1 3.44Å; L336-L340 VanDerWaalsContact O-CG 3.26Å; L336-L340 WeakPolarHBondContact O-CG 3.47Å; L336-L340 PolarHBondContact O-N 3.11Å; L340-D342 PolarHBondContact O-N 2.9Å; L340-L343 CarbonylContact O-C 3.48Å; L340-L343 PolarHBondContact O-N 3.15Å; L340-G344 PolarHBondContact O-N 3.33Å; L340-Y345 CarbonylContact C-O 3.55Å; L340-Y345 VanDerWaalsContact C-O 3.28Å; L340-Y345 VanDerWaalsContact CB-O 3.3Å; L340-Y345 WeakPolarHBondContact CB-O 3.48Å; L340-Y345 CarbonylContact O-C 3.56Å; L340-Y345 VanDerWaalsContact O-C 3.29Å; L340-Y345 WeakPolarHBondContact O-CA 3.25Å; L340-Y345 PolarHBondContact O-N 2.9Å; L340-P347 HydrophobicContact CB-CG 3.84Å; L340-P347 HydrophobicContact CD1-CG 3.6Å; L340-P347 HydrophobicContact CG-CG 4.37Å; L340-A402 HydrophobicContact CD2-CB 3.78Å; L340-A402 HydrophobicContact CG-CB 4.3Å; L340-Y406 HydrophobicContact CD1-CG 4.34Å
341	S	97	Very high	90.3	Very high	38 Å²	38	48.1 Å²	48.1	27%	0.266	26%	0.258	S	S	.	.	H	α-helix	trans	-60.5	-44.8	174.6	-58.5	0	0	0	0	111.9	H337 E338 F339 L343 G344	H337-S341 VanDerWaalsContact O-CB 3.29Å; H337-S341 WeakPolarHBondContact O-CB 3.38Å; H337-S341 PolarHBondContact O-N 2.9Å; H337-S341 PolarHBondContact O-OG 3.27Å; E338-S341 PolarHBondContact O-N 3.15Å; F339-S341 PolarHBondContact O-N 2.71Å; S341-L343 VanDerWaalsContact C-N 3.28Å; S341-L343 PolarHBondContact O-N 2.7Å; S341-G344 WeakPolarHBondContact O-CA 3.5Å; S341-G344 PolarHBondContact O-N 2.89Å
342	D	95.3	Very high	87.7	Confident	51 Å²	51	49.7 Å²	49.7	27%	0.273	27%	0.267	S	S	.	.	H	α-helix	trans	-68.8	-25.5	177.8	-86.5	-37.4	0	0	0	113.6	Q58 K61 E338 F339 L340 G344 N386 N389	Q58-D342 VanDerWaalsContact CD-OD2 3.27Å; Q58-D342 PolarHBondContact NE2-OD2 3.17Å; Q58-D342 PolarHBondContact OE1-OD2 3.24Å; K61-D342 WeakPolarHBondContact CD-OD2 3.24Å; K61-D342 IonicContact NZ-OD1 2.81Å; K61-D342 PolarHBondContact NZ-OD1 2.93Å; K61-D342 IonicContact NZ-OD2 3.41Å; K61-D342 PolarHBondContact NZ-OD2 2.9Å; E338-D342 WeakPolarHBondContact O-CB 3.32Å; E338-D342 PolarHBondContact O-N 2.71Å; F339-D342 PolarHBondContact O-N 3.05Å; L340-D342 PolarHBondContact O-N 2.9Å; D342-G344 PolarHBondContact O-N 2.83Å; D342-N386 PolarHBondContact O-ND2 3.1Å; D342-N389 PolarHBondContact O-ND2 2.84Å
343	L	94.9	Very high	84.5	Confident	8 Å²	8	52.4 Å²	52.4	4%	0.042	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-0.3	168.1	-63.7	178.7	0	0	0	112.8	F339 L340 S341 N389 F395 I398 I399	F339-L343 HydrophobicContact CD1-CD1 4.16Å; F339-L343 HydrophobicContact CD2-CD1 4.4Å; F339-L343 HydrophobicContact CE1-CD1 3.7Å; F339-L343 HydrophobicContact CE2-CD1 3.97Å; F339-L343 HydrophobicContact CE2-CD2 4.48Å; F339-L343 HydrophobicContact CE2-CG 4.3Å; F339-L343 HydrophobicContact CZ-CD1 3.61Å; F339-L343 HydrophobicContact CZ-CG 4.43Å; F339-L343 VanDerWaalsContact O-CG 3.3Å; F339-L343 WeakPolarHBondContact O-CG 3.46Å; F339-L343 PolarHBondContact O-N 2.72Å; L340-L343 CarbonylContact O-C 3.48Å; L340-L343 PolarHBondContact O-N 3.15Å; S341-L343 VanDerWaalsContact C-N 3.28Å; S341-L343 PolarHBondContact O-N 2.7Å; L343-N389 HydrophobicContact CD2-CB 4.33Å; L343-F395 HydrophobicContact CB-CE2 4.32Å; L343-F395 HydrophobicContact CD2-CE2 3.98Å; L343-F395 WeakPolarHBondContact O-CZ 3.24Å; L343-I398 HydrophobicContact CD1-CG2 3.84Å; L343-I399 HydrophobicContact CB-CG1 4.35Å; L343-I399 HydrophobicContact CD1-CG1 4.33Å
344	G	94.2	Very high	81.2	Confident	15 Å²	15	54.4 Å²	54.4	16%	0.155	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.5	18.8	178.9	0	0	0	0	0	114.4	L340 S341 D342	L340-G344 PolarHBondContact O-N 3.33Å; S341-G344 WeakPolarHBondContact O-CA 3.5Å; S341-G344 PolarHBondContact O-N 2.89Å; D342-G344 PolarHBondContact O-N 2.83Å
345	Y	94.1	Very high	77.9	Confident	13 Å²	13	55.7 Å²	55.7	5%	0.051	33%	0.334	C	S	.	.			trans	-131.7	72.8	175.5	-171.9	-97.5	0	0	0	110.3	L340 P347 I399 T403 D572 L574	L340-Y345 CarbonylContact C-O 3.55Å; L340-Y345 VanDerWaalsContact C-O 3.28Å; L340-Y345 VanDerWaalsContact CB-O 3.3Å; L340-Y345 WeakPolarHBondContact CB-O 3.48Å; L340-Y345 CarbonylContact O-C 3.56Å; L340-Y345 VanDerWaalsContact O-C 3.29Å; L340-Y345 WeakPolarHBondContact O-CA 3.25Å; L340-Y345 PolarHBondContact O-N 2.9Å; Y345-P347 WeakPolarHBondContact O-CD 3.27Å; Y345-I399 HydrophobicContact CD1-CG2 3.9Å; Y345-I399 HydrophobicContact CD2-CG2 4.39Å; Y345-I399 HydrophobicContact CG-CG2 3.79Å; Y345-T403 HydrophobicContact CE1-CG2 3.74Å; Y345-T403 WeakPolarHBondContact CE1-OG1 3.41Å; Y345-D572 PolarHBondContact OH-OD2 2.86Å; Y345-L574 HydrophobicContact CE1-CD1 3.79Å; Y345-L574 HydrophobicContact CE2-CD1 4.36Å; Y345-L574 HydrophobicContact CE2-CD2 4.19Å
346	P	94.6	Very high	74.4	Confident	80 Å²	80	60.1 Å²	60.1	52%	0.519	37%	0.366	S	S	.	.	P	Polyproline II helix	trans	-60.3	125.3	177	26	-33.5	0	0	0	110	K348	P346-K348 PolarHBondContact O-N 2.88Å
347	P	92.5	Very high	70.7	Confident	12 Å²	12	65.2 Å²	65.2	8%	0.078	40%	0.4	C	S	.	.	P	Polyproline II helix	trans	-62.4	136.8	-179	-23.9	35	0	0	0	111.9	L340 Y345 Y406	L340-P347 HydrophobicContact CB-CG 3.84Å; L340-P347 HydrophobicContact CD1-CG 3.6Å; L340-P347 HydrophobicContact CG-CG 4.37Å; Y345-P347 WeakPolarHBondContact O-CD 3.27Å; P347-Y406 HydrophobicContact CB-CD1 3.63Å; P347-Y406 HydrophobicContact CB-CE1 3.24Å; P347-Y406 HydrophobicContact CB-CE2 4.34Å; P347-Y406 HydrophobicContact CB-CG 4.32Å; P347-Y406 HydrophobicContact CG-CD1 4.07Å; P347-Y406 HydrophobicContact CG-CD2 4.4Å; P347-Y406 HydrophobicContact CG-CE1 3.99Å; P347-Y406 HydrophobicContact CG-CE2 4.32Å; P347-Y406 HydrophobicContact CG-CG 4.27Å
348	K	86.6	Confident	67.3	Low	108 Å²	108	70.4 Å²	70.4	47%	0.47	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-69.9	136.7	171.5	-64.3	168.8	-176.7	160.8	0	108.8	P346 V350 P568 D572	P346-K348 PolarHBondContact O-N 2.88Å; K348-V350 PolarHBondContact O-N 3.24Å; K348-P568 HydrophobicContact CD-CB 4.3Å; K348-D572 IonicContact NZ-OD1 2.71Å; K348-D572 PolarHBondContact NZ-OD1 2.86Å; K348-D572 IonicContact NZ-OD2 3.92Å; K348-D572 PolarHBondContact NZ-OD2 3.42Å
349	N	67.9	Low	63.6	Low	131 Å²	131	75.3 Å²	75.3	70%	0.701	46%	0.458	S	S	*	.			trans	-61.2	112.8	171.3	-90.4	-25.9	0	0	0	108.9	N351	N349-N351 PolarHBondContact O-N 3.45Å; N349-N351 VanDerWaalsContact O-N 3.16Å
350	V	58.1	Low	59.9	Low	54 Å²	54	78.6 Å²	78.6	33%	0.327	49%	0.492	S	S	.	.			trans	-74.2	103.3	165.5	-172.6	0	0	0	0	104.9	K348 N352 P568	K348-V350 PolarHBondContact O-N 3.24Å; V350-N352 VanDerWaalsContact CG1-OD1 3.3Å; V350-N352 WeakPolarHBondContact CG1-OD1 3.39Å; V350-N352 PolarHBondContact O-N 3.05Å; V350-P568 HydrophobicContact CG2-CG 4.14Å
351	N	44.4	Very low	56.2	Low	131 Å²	131	87.9 Å²	87.9	70%	0.701	54%	0.536	S	S	*	.			trans	-61.5	83.2	172.8	-77.9	-15.4	0	0	0	108.9	N349 G353 L564	N349-N351 PolarHBondContact O-N 3.45Å; N349-N351 VanDerWaalsContact O-N 3.16Å; N351-G353 PolarHBondContact O-N 3.47Å; N351-L564 WeakPolarHBondContact O-CD1 3.41Å
352	N	43.5	Very low	52.5	Low	50 Å²	50	93.2 Å²	93.2	27%	0.267	56%	0.561	S	S	.	*			trans	-76	74.8	171.6	-79.5	-3.1	0	0	0	108.4	V350 T354	V350-N352 VanDerWaalsContact CG1-OD1 3.3Å; V350-N352 WeakPolarHBondContact CG1-OD1 3.39Å; V350-N352 PolarHBondContact O-N 3.05Å; N352-T354 PolarHBondContact O-N 2.76Å; N352-T354 PolarHBondContact O-OG1 3.02Å
353	G	32.1	Very low	49	Very low	80 Å²	80	100 Å²	100	83%	0.825	59%	0.591	S	S	*	*	S	Bend	trans	50.6	3.6	157	0	0	0	0	0	120.1	N351	N351-G353 PolarHBondContact O-N 3.47Å
354	T	27	Very low	45.4	Very low	129 Å²	129	105 Å²	105	79%	0.791	63%	0.626	S	S	*	*			trans	-113.7	64.7	-174.5	39.4	0	0	0	0	108.8	N352 S356	N352-T354 PolarHBondContact O-N 2.76Å; N352-T354 PolarHBondContact O-OG1 3.02Å; T354-S356 VanDerWaalsContact C-N 3.3Å; T354-S356 PolarHBondContact O-N 2.58Å
355	S	26.4	Very low	42	Very low	127 Å²	127	109.5 Å²	109.5	89%	0.888	66%	0.655	S	S	*	*			trans	-77.3	88	155.6	-179.8	0	0	0	0	107.5
356	S	24.5	Very low	38.5	Very low	100 Å²	100	113.8 Å²	113.8	70%	0.699	69%	0.687	S	S	*	*	S	Bend	trans	-178.7	121.7	160.7	169.9	0	0	0	0	108	T354	T354-S356 VanDerWaalsContact C-N 3.3Å; T354-S356 PolarHBondContact O-N 2.58Å
357	C	21.7	Very low	35	Very low	107 Å²	107	116.2 Å²	116.2	72%	0.723	70%	0.701	S	S	*	*	S	Bend	trans	93.9	47.8	171.3	-46.7	0	0	0	0	118
358	L	25.9	Very low	31.4	Very low	181 Å²	181	123.8 Å²	123.8	95%	0.948	74%	0.735	S	S	*	*			trans	-136.6	82.5	139.5	-76.7	176.6	0	0	0	108
359	N	20.3	Very low	28.4	Very low	164 Å²	164	126.7 Å²	126.7	88%	0.877	76%	0.755	S	S	*	*			trans	-77.8	141.9	168.1	-80.8	-20.1	0	0	0	110
360	G	20	Very low	26.2	Very low	71 Å²	71	127.3 Å²	127.3	73%	0.732	76%	0.758	S	S	*	*			trans	85.7	124.3	167.6	0	0	0	0	0	112.5
361	E	20.3	Very low	24.3	Very low	196 Å²	196	131.4 Å²	131.4	92%	0.916	78%	0.784	S	S	*	*			cis	-158	150	31.5	-88.5	170.9	166.3	0	0	110.8
362	N	18.5	Very low	23.2	Very low	150 Å²	150	130.5 Å²	130.5	80%	0.802	79%	0.787	S	S	*	*			trans	-61.7	135.3	178.2	-63.3	-47.8	0	0	0	112
363	H	21.8	Very low	22.1	Very low	194 Å²	194	135.3 Å²	135.3	90%	0.898	82%	0.819	S	S	*	*			trans	-144.2	102.3	134.9	-94.2	-63.7	0	0	0	110.1
364	S	18.3	Very low	21.7	Very low	111 Å²	111	134.8 Å²	134.8	78%	0.776	81%	0.814	S	S	*	*			trans	-56.1	126	161.1	49.1	0	0	0	0	111.5
365	S	24.4	Very low	21.5	Very low	110 Å²	110	134.8 Å²	134.8	77%	0.769	82%	0.819	S	S	*	*			trans	-141.9	103.9	140.7	62.3	0	0	0	0	108	T367	S365-T367 PolarHBondContact O-N 3.35Å
366	S	19.7	Very low	21.4	Very low	104 Å²	104	135.3 Å²	135.3	73%	0.727	81%	0.812	S	S	*	*			trans	-52.2	123.3	172.6	177.3	0	0	0	0	111.5
367	T	21.2	Very low	21.4	Very low	131 Å²	131	140.4 Å²	140.4	80%	0.804	82%	0.821	S	S	*	*			trans	-136.7	98.7	148.3	-29.8	0	0	0	0	107.2	S365 L369	S365-T367 PolarHBondContact O-N 3.35Å; T367-L369 PolarHBondContact O-N 3.42Å
368	Q	17.7	Very low	21.6	Very low	170 Å²	170	140.4 Å²	140.4	79%	0.794	82%	0.823	S	S	*	*			trans	-53.8	123	163.5	-72.9	172.6	-25	0	0	108
369	L	22.8	Very low	21.7	Very low	169 Å²	169	141.1 Å²	141.1	89%	0.885	82%	0.818	S	S	*	*			trans	-122.9	116.2	161.4	-157.6	79.1	0	0	0	107.4	T367	T367-L369 PolarHBondContact O-N 3.42Å
370	D	21.5	Very low	22.3	Very low	144 Å²	144	137.1 Å²	137.1	77%	0.77	80%	0.799	S	S	*	*			trans	-57.3	142.3	-172	-74.2	-47.9	0	0	0	113.7	S372	D370-S372 PolarHBondContact O-N 3.26Å
371	T	18.9	Very low	22.7	Very low	141 Å²	141	142.2 Å²	142.2	87%	0.865	80%	0.804	S	S	*	*			trans	-65.3	111.9	167.3	46.3	0	0	0	0	110.5
372	S	21.8	Very low	23.6	Very low	111 Å²	111	135.5 Å²	135.5	78%	0.776	78%	0.776	S	S	*	*			trans	-133.1	110.3	155.7	57.8	0	0	0	0	109.8	D370 G374	D370-S372 PolarHBondContact O-N 3.26Å; S372-G374 PolarHBondContact O-N 3.48Å
373	T	20.3	Very low	24.3	Very low	152 Å²	152	132.4 Å²	132.4	93%	0.933	77%	0.766	S	S	*	*			trans	-42	118.4	167.8	45.3	0	0	0	0	112.9
374	G	23	Very low	24.8	Very low	69 Å²	69	127.3 Å²	127.3	71%	0.711	75%	0.748	S	S	*	*			trans	-154.4	92.4	170.8	0	0	0	0	0	108.8	S372 D376	S372-G374 PolarHBondContact O-N 3.48Å; G374-D376 VanDerWaalsContact C-N 3.28Å; G374-D376 PolarHBondContact O-N 3.21Å
375	S	22.7	Very low	25.6	Very low	128 Å²	128	130.5 Å²	130.5	90%	0.895	75%	0.751	S	S	*	*			trans	-65.1	86.7	171	52.6	0	0	0	0	109.4
376	D	23.6	Very low	26.6	Very low	139 Å²	139	128.6 Å²	128.6	74%	0.743	73%	0.732	S	S	*	*			trans	-138.8	123.2	164.5	-135.8	-14.1	0	0	0	109	G374 S378	G374-D376 VanDerWaalsContact C-N 3.28Å; G374-D376 PolarHBondContact O-N 3.21Å; D376-S378 PolarHBondContact O-N 3.25Å; D376-S378 PolarHBondContact O-OG 2.68Å
377	K	25.1	Very low	27.7	Very low	206 Å²	206	130.6 Å²	130.6	90%	0.896	73%	0.734	S	S	*	*			trans	-66.2	78.1	-178.2	-71.6	176.7	178.1	174.1	0	108.5	K379	K377-K379 PolarHBondContact O-N 3.38Å
378	S	25	Very low	29.2	Very low	108 Å²	108	127.9 Å²	127.9	76%	0.755	72%	0.717	S	S	*	*			trans	-66.7	104.9	-178.7	-75.5	0	0	0	0	108.7	D376 V380	D376-S378 PolarHBondContact O-N 3.25Å; D376-S378 PolarHBondContact O-OG 2.68Å; S378-V380 PolarHBondContact O-N 2.76Å
379	K	28.7	Very low	31	Very low	195 Å²	195	120.5 Å²	120.5	85%	0.848	68%	0.683	S	S	*	*			trans	-49.5	121.3	163.3	-73	174.3	177.7	170.1	0	107.5	K377 H381	K377-K379 PolarHBondContact O-N 3.38Å; K379-H381 PolarHBondContact O-N 2.83Å
380	V	33.9	Very low	32.5	Very low	80 Å²	80	118.7 Å²	118.7	49%	0.485	67%	0.668	S	S	.	*			trans	-52	110.1	178.7	176.9	0	0	0	0	109.3	S378 V382	S378-V380 PolarHBondContact O-N 2.76Å; V380-V382 PolarHBondContact O-N 2.89Å
381	H	28	Very low	34.8	Very low	179 Å²	179	115.4 Å²	115.4	83%	0.829	65%	0.65	S	S	*	*			trans	-73.9	103.6	170	-119	-85	0	0	0	107.2	K379 S383	K379-H381 PolarHBondContact O-N 2.83Å; H381-S383 PolarHBondContact O-N 3.46Å; H381-S383 VanDerWaalsContact O-N 3.1Å
382	V	38.2	Very low	37.8	Very low	54 Å²	54	109 Å²	109	33%	0.327	61%	0.611	S	S	.	*			trans	-59.1	114.2	172.7	176.5	0	0	0	0	108.4	V380 T384 F395	V380-V382 PolarHBondContact O-N 2.89Å; V382-T384 PolarHBondContact O-OG1 3.22Å; V382-F395 HydrophobicContact CG1-CE1 4.47Å
383	S	33	Very low	40.9	Very low	85 Å²	85	106.6 Å²	106.6	59%	0.594	60%	0.604	S	S	*	*			trans	-62.7	136.9	-177.2	52.1	0	0	0	0	111.9	H381 H385	H381-S383 PolarHBondContact O-N 3.46Å; H381-S383 VanDerWaalsContact O-N 3.1Å; S383-H385 PolarHBondContact O-N 3.25Å
384	T	32.6	Very low	44.3	Very low	87 Å²	87	100.5 Å²	100.5	53%	0.534	57%	0.566	S	S	.	*			trans	-105.6	61.6	-148.5	-41.9	0	0	0	0	114	V382	V382-T384 PolarHBondContact O-OG1 3.22Å
385	H	36.3	Very low	47.7	Very low	178 Å²	178	99.1 Å²	99.1	82%	0.824	54%	0.541	S	S	*	.			trans	-113.8	-8.1	-175.5	-94.9	-71.5	0	0	0	118.7	S383	S383-H385 PolarHBondContact O-N 3.25Å
386	N	44.1	Very low	51.1	Low	71 Å²	71	100.8 Å²	100.8	38%	0.38	53%	0.532	S	S	.	.			trans	-116.2	101.6	177.6	-74.1	-31.1	0	0	0	112.1	D342 T388 N389	D342-N386 PolarHBondContact O-ND2 3.1Å; N386-T388 PolarHBondContact O-N 3.29Å; N386-N389 PolarHBondContact O-N 3.28Å
387	L	43	Very low	54.5	Low	146 Å²	146	95 Å²	95	76%	0.764	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-27.7	-178.6	-166.9	67.2	0	0	0	113.1
388	T	52.1	Low	57.9	Low	74 Å²	74	85.2 Å²	85.2	45%	0.454	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-36.7	-178.9	53.3	0	0	0	0	113.1	N386 K390	N386-T388 PolarHBondContact O-N 3.29Å; T388-K390 VanDerWaalsContact C-N 3.31Å; T388-K390 PolarHBondContact O-N 3.01Å
389	N	55.4	Low	61.4	Low	14 Å²	14	80.5 Å²	80.5	8%	0.075	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-74.7	-20.1	-175.3	-70.7	-29.1	0	0	0	113.5	D342 L343 N386 N391 H392 F395	D342-N389 PolarHBondContact O-ND2 2.84Å; L343-N389 HydrophobicContact CD2-CB 4.33Å; N386-N389 PolarHBondContact O-N 3.28Å; N389-N391 PolarHBondContact O-N 2.69Å; N389-H392 PolarHBondContact O-N 3Å; N389-H392 PolarHBondContact O-ND1 3.07Å; N389-F395 HydrophobicContact CB-CD2 4.41Å; N389-F395 HydrophobicContact CB-CE2 3.85Å; N389-F395 WeakPolarHBondContact O-CD2 3.47Å
390	K	54.2	Low	64.6	Low	132 Å²	132	71.2 Å²	71.2	57%	0.574	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-69.2	-15.9	179.4	-75.4	-172	177.1	-178.5	0	113.7	T388 H392	T388-K390 VanDerWaalsContact C-N 3.31Å; T388-K390 PolarHBondContact O-N 3.01Å; K390-H392 VanDerWaalsContact C-N 3.32Å
391	N	70.9	Confident	67.6	Low	74 Å²	74	67.8 Å²	67.8	40%	0.396	36%	0.361	S	S	.	.	G	3₁₀ helix	trans	-83.6	-7.8	-177.6	-67.6	-12.2	0	0	0	113.3	G29 C30 N389 G393	G29-N391 WeakPolarHBondContact CA-O 3.34Å; C30-N391 PolarHBondContact SG-ND2 3.38Å; N389-N391 PolarHBondContact O-N 2.69Å; N391-G393 PolarHBondContact O-N 2.87Å
392	H	81.7	Confident	70.9	Confident	7 Å²	7	59.2 Å²	59.2	3%	0.032	32%	0.322	C	S	.	.			trans	-74.8	112.4	176	-58.1	145.4	0	0	0	110.5	D50 E104 N389 K390 T394 F395 I398	D50-H392 HydrophobicContact CB-CB 3.95Å; D50-H392 IonicContact OD1-CD2 3.02Å; E104-H392 IonicContact OE2-CD2 3.94Å; E104-H392 IonicContact OE2-NE2 3.73Å; N389-H392 PolarHBondContact O-N 3Å; N389-H392 PolarHBondContact O-ND1 3.07Å; K390-H392 VanDerWaalsContact C-N 3.32Å; H392-T394 PolarHBondContact O-N 3.42Å; H392-T394 VanDerWaalsContact O-N 3.08Å; H392-F395 HydrophobicContact CB-CB 4.14Å; H392-F395 WeakPolarHBondContact O-CB 3.4Å; H392-F395 PolarHBondContact O-N 2.93Å; H392-F395 VanDerWaalsContact O-N 3.08Å; H392-I398 HydrophobicContact CB-CD1 4.4Å
393	G	86.1	Confident	73.7	Confident	61 Å²	61	56.8 Å²	56.8	63%	0.629	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.7	176.1	0	0	0	0	0	112.6	D50 N391	D50-G393 PolarHBondContact OD2-N 3.07Å; N391-G393 PolarHBondContact O-N 2.87Å
394	T	93.3	Very high	76.8	Confident	24 Å²	24	52.7 Å²	52.7	15%	0.147	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	17.6	-179.3	70.1	0	0	0	0	114.5	E46 F47 D50 H392 K396 R397 I398	E46-T394 HydrophobicContact CB-CG2 4.41Å; E46-T394 HydrophobicContact CG-CG2 4.16Å; F47-T394 WeakPolarHBondContact CA-OG1 3.23Å; F47-T394 HydrophobicContact CB-CG2 4.06Å; D50-T394 WeakPolarHBondContact CB-OG1 3.37Å; D50-T394 WeakPolarHBondContact OD2-CB 2.97Å; D50-T394 PolarHBondContact OD2-N 3.23Å; D50-T394 PolarHBondContact OD2-OG1 3.39Å; H392-T394 PolarHBondContact O-N 3.42Å; H392-T394 VanDerWaalsContact O-N 3.08Å; T394-K396 VanDerWaalsContact C-N 3.33Å; T394-K396 PolarHBondContact O-N 3.1Å; T394-K396 VanDerWaalsContact O-N 3.15Å; T394-R397 WeakPolarHBondContact O-CA 3.35Å; T394-R397 VanDerWaalsContact O-CB 3.3Å; T394-R397 WeakPolarHBondContact O-CB 3.31Å; T394-R397 PolarHBondContact O-N 3.5Å; T394-I398 PolarHBondContact O-N 3.42Å
395	F	94.1	Very high	79.9	Confident	40 Å²	40	48.7 Å²	48.7	18%	0.175	25%	0.254	C	S	.	.	H	α-helix	trans	-47.8	-47	-175.5	-176.2	-108.4	0	0	0	114.7	L343 V382 N389 H392 R397 I398 I399	L343-F395 HydrophobicContact CB-CE2 4.32Å; L343-F395 HydrophobicContact CD2-CE2 3.98Å; L343-F395 WeakPolarHBondContact O-CZ 3.24Å; V382-F395 HydrophobicContact CG1-CE1 4.47Å; N389-F395 HydrophobicContact CB-CD2 4.41Å; N389-F395 HydrophobicContact CB-CE2 3.85Å; N389-F395 WeakPolarHBondContact O-CD2 3.47Å; H392-F395 HydrophobicContact CB-CB 4.14Å; H392-F395 WeakPolarHBondContact O-CB 3.4Å; H392-F395 PolarHBondContact O-N 2.93Å; H392-F395 VanDerWaalsContact O-N 3.08Å; F395-R397 VanDerWaalsContact C-N 3.29Å; F395-R397 PolarHBondContact O-N 3.39Å; F395-I398 WeakPolarHBondContact O-CB 3.18Å; F395-I398 PolarHBondContact O-N 2.75Å; F395-I398 VanDerWaalsContact O-N 3.17Å; F395-I399 HydrophobicContact CD1-CD1 4.03Å; F395-I399 HydrophobicContact CE1-CD1 3.42Å; F395-I399 VanDerWaalsContact CE1-CD1 3.42Å; F395-I399 HydrophobicContact CE1-CG1 4.46Å; F395-I399 HydrophobicContact CE2-CD1 4.21Å; F395-I399 HydrophobicContact CZ-CD1 3.54Å; F395-I399 HydrophobicContact CZ-CG1 4.37Å; F395-I399 PolarHBondContact O-N 3.13Å; F395-I399 VanDerWaalsContact O-N 3.1Å
396	K	94.1	Very high	82.8	Confident	162 Å²	162	41.4 Å²	41.4	70%	0.704	22%	0.22	S	C	*	.	H	α-helix	trans	-61.8	-36.9	178.2	-67.4	-177.4	-179.6	177	0	112.6	T394 G400 V575	T394-K396 VanDerWaalsContact C-N 3.33Å; T394-K396 PolarHBondContact O-N 3.1Å; T394-K396 VanDerWaalsContact O-N 3.15Å; K396-G400 PolarHBondContact O-N 3.41Å; K396-V575 HydrophobicContact CB-CG2 4.18Å
397	R	95.1	Very high	85.3	Confident	19 Å²	19	38.9 Å²	38.9	7%	0.072	21%	0.206	C	C	.	.	H	α-helix	trans	-69.6	-37.3	177.2	-171.3	-179.3	177.8	179.6	6.7	110.7	F47 D250 T394 F395 G400 M401 Q578	F47-R397 HydrophobicContact CD2-CB 3.99Å; F47-R397 HydrophobicContact CD2-CG 3.71Å; F47-R397 HydrophobicContact CE2-CB 4Å; F47-R397 HydrophobicContact CE2-CG 3.62Å; F47-R397 HydrophobicContact CZ-CG 4.41Å; D250-R397 IonicContact OD1-CZ 3.61Å; D250-R397 IonicContact OD1-NH1 2.68Å; D250-R397 IonicContact OD1-NH2 2.97Å; D250-R397 PolarHBondContact OD1-NH2 3.26Å; D250-R397 IonicContact OD2-CZ 3.45Å; D250-R397 IonicContact OD2-NH1 3.75Å; D250-R397 PolarHBondContact OD2-NH1 2.87Å; D250-R397 IonicContact OD2-NH2 3.65Å; D250-R397 PolarHBondContact OD2-NH2 2.68Å; T394-R397 WeakPolarHBondContact O-CA 3.35Å; T394-R397 VanDerWaalsContact O-CB 3.3Å; T394-R397 WeakPolarHBondContact O-CB 3.31Å; T394-R397 PolarHBondContact O-N 3.5Å; F395-R397 VanDerWaalsContact C-N 3.29Å; F395-R397 PolarHBondContact O-N 3.39Å; R397-G400 PolarHBondContact O-N 3.34Å; R397-M401 HydrophobicContact CG-CG 4.22Å; R397-M401 WeakPolarHBondContact O-CB 3.25Å; R397-M401 VanDerWaalsContact O-CG 3.29Å; R397-M401 WeakPolarHBondContact O-CG 3.37Å; R397-M401 PolarHBondContact O-N 3.07Å; R397-Q578 HydrophobicContact CG-CB 4.49Å
398	I	96.7	Very high	87.9	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-62.3	-51.7	176.7	-65.4	170.4	0	0	0	110.3	F47 D50 L51 F339 L343 H392 T394 F395 G400 M401 A402	F47-I398 HydrophobicContact CD2-CG1 3.97Å; F47-I398 HydrophobicContact CE2-CB 4.33Å; F47-I398 HydrophobicContact CE2-CG1 3.58Å; D50-I398 HydrophobicContact CB-CD1 3.66Å; L51-I398 HydrophobicContact CD1-CG2 3.99Å; F339-I398 HydrophobicContact CE1-CG2 4.15Å; F339-I398 HydrophobicContact CZ-CG2 3.99Å; L343-I398 HydrophobicContact CD1-CG2 3.84Å; H392-I398 HydrophobicContact CB-CD1 4.4Å; T394-I398 PolarHBondContact O-N 3.42Å; F395-I398 WeakPolarHBondContact O-CB 3.18Å; F395-I398 PolarHBondContact O-N 2.75Å; F395-I398 VanDerWaalsContact O-N 3.17Å; I398-G400 VanDerWaalsContact C-N 3.33Å; I398-G400 PolarHBondContact O-N 3.47Å; I398-M401 PolarHBondContact O-N 2.9Å; I398-A402 VanDerWaalsContact O-CB 3.24Å; I398-A402 WeakPolarHBondContact O-CB 3.5Å; I398-A402 PolarHBondContact O-N 3Å
399	I	96.7	Very high	90.1	Very high	8 Å²	8	29 Å²	29	4%	0.041	15%	0.15	C	C	.	.	H	α-helix	trans	-57.4	-48.5	177.4	-67.7	176.9	0	0	0	110.1	L343 Y345 F395 T403 L574	L343-I399 HydrophobicContact CB-CG1 4.35Å; L343-I399 HydrophobicContact CD1-CG1 4.33Å; Y345-I399 HydrophobicContact CD1-CG2 3.9Å; Y345-I399 HydrophobicContact CD2-CG2 4.39Å; Y345-I399 HydrophobicContact CG-CG2 3.79Å; F395-I399 HydrophobicContact CD1-CD1 4.03Å; F395-I399 HydrophobicContact CE1-CD1 3.42Å; F395-I399 VanDerWaalsContact CE1-CD1 3.42Å; F395-I399 HydrophobicContact CE1-CG1 4.46Å; F395-I399 HydrophobicContact CE2-CD1 4.21Å; F395-I399 HydrophobicContact CZ-CD1 3.54Å; F395-I399 HydrophobicContact CZ-CG1 4.37Å; F395-I399 PolarHBondContact O-N 3.13Å; F395-I399 VanDerWaalsContact O-N 3.1Å; I399-T403 VanDerWaalsContact O-CB 3.22Å; I399-T403 WeakPolarHBondContact O-CB 3.39Å; I399-T403 PolarHBondContact O-N 3.34Å; I399-T403 PolarHBondContact O-OG1 3.11Å; I399-L574 HydrophobicContact CG2-CD1 4.19Å; I399-L574 HydrophobicContact CG2-CD2 4.16Å
400	G	96.5	Very high	92	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.1	-51.9	-179.9	0	0	0	0	0	113.3	K396 R397 I398 T403 V404 V575	K396-G400 PolarHBondContact O-N 3.41Å; R397-G400 PolarHBondContact O-N 3.34Å; I398-G400 VanDerWaalsContact C-N 3.33Å; I398-G400 PolarHBondContact O-N 3.47Å; G400-T403 PolarHBondContact O-N 2.63Å; G400-V404 VanDerWaalsContact O-CG2 3.32Å; G400-V404 WeakPolarHBondContact O-CG2 3.42Å; G400-V404 PolarHBondContact O-N 2.78Å; G400-V575 WeakPolarHBondContact CA-O 3.27Å
401	M	97.1	Very high	93.9	Very high	8 Å²	8	28.8 Å²	28.8	4%	0.039	16%	0.158	C	C	.	.	H	α-helix	trans	-63.4	-45.4	-179.9	-72.9	-66	-55	0	0	112.6	F47 L247 R397 I398 T403 V404 A405 H450	F47-M401 HydrophobicContact CE2-CG 4.36Å; F47-M401 HydrophobicContact CZ-CB 4.08Å; F47-M401 HydrophobicContact CZ-CG 3.87Å; L247-M401 HydrophobicContact CD1-CB 4.27Å; L247-M401 HydrophobicContact CD1-CE 4.39Å; L247-M401 HydrophobicContact CD2-CE 4.21Å; R397-M401 HydrophobicContact CG-CG 4.22Å; R397-M401 WeakPolarHBondContact O-CB 3.25Å; R397-M401 VanDerWaalsContact O-CG 3.29Å; R397-M401 WeakPolarHBondContact O-CG 3.37Å; R397-M401 PolarHBondContact O-N 3.07Å; I398-M401 PolarHBondContact O-N 2.9Å; M401-T403 VanDerWaalsContact C-N 3.34Å; M401-V404 PolarHBondContact O-N 3.46Å; M401-A405 WeakPolarHBondContact O-CB 3.46Å; M401-A405 PolarHBondContact O-N 3.44Å; M401-H450 HydrophobicContact CE-CB 3.99Å
402	A	97.8	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-68.5	-33.5	179.6	0	0	0	0	0	112.1	L336 F339 L340 I398 A405 Y406	L336-A402 HydrophobicContact CD2-CB 4.39Å; F339-A402 HydrophobicContact CD1-CB 4.17Å; F339-A402 HydrophobicContact CE1-CB 3.93Å; L340-A402 HydrophobicContact CD2-CB 3.78Å; L340-A402 HydrophobicContact CG-CB 4.3Å; I398-A402 VanDerWaalsContact O-CB 3.24Å; I398-A402 WeakPolarHBondContact O-CB 3.5Å; I398-A402 PolarHBondContact O-N 3Å; A402-A405 PolarHBondContact O-N 3.34Å; A402-Y406 WeakPolarHBondContact O-CB 3.49Å; A402-Y406 PolarHBondContact O-N 2.85Å
403	T	97.6	Very high	95.8	Very high	2 Å²	2	26.5 Å²	26.5	1%	0.012	15%	0.148	C	C	.	.	H	α-helix	trans	-67.5	-44.5	174	-56.2	0	0	0	0	111	Y345 I399 G400 M401 A405 Y406 E407 L574	Y345-T403 HydrophobicContact CE1-CG2 3.74Å; Y345-T403 WeakPolarHBondContact CE1-OG1 3.41Å; I399-T403 VanDerWaalsContact O-CB 3.22Å; I399-T403 WeakPolarHBondContact O-CB 3.39Å; I399-T403 PolarHBondContact O-N 3.34Å; I399-T403 PolarHBondContact O-OG1 3.11Å; G400-T403 PolarHBondContact O-N 2.63Å; M401-T403 VanDerWaalsContact C-N 3.34Å; T403-A405 VanDerWaalsContact C-N 3.29Å; T403-A405 PolarHBondContact O-N 2.66Å; T403-Y406 WeakPolarHBondContact O-CB 3.34Å; T403-Y406 PolarHBondContact O-N 3.44Å; T403-Y406 VanDerWaalsContact O-N 3.11Å; T403-E407 HydrophobicContact CG2-CG 4.44Å; T403-E407 WeakPolarHBondContact O-CG 3.01Å; T403-E407 PolarHBondContact O-N 3.45Å; T403-L574 HydrophobicContact CG2-CD1 3.81Å
404	V	97.3	Very high	96.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-61.7	-41.2	175.8	178.1	0	0	0	0	110.8	G400 M401 Y406 E407 E408 H450 R576	G400-V404 VanDerWaalsContact O-CG2 3.32Å; G400-V404 WeakPolarHBondContact O-CG2 3.42Å; G400-V404 PolarHBondContact O-N 2.78Å; M401-V404 PolarHBondContact O-N 3.46Å; V404-Y406 VanDerWaalsContact C-N 3.32Å; V404-Y406 PolarHBondContact O-N 3.19Å; V404-E407 PolarHBondContact O-N 3.48Å; V404-E408 VanDerWaalsContact O-CG 3.26Å; V404-E408 WeakPolarHBondContact O-CG 3.22Å; V404-E408 PolarHBondContact O-N 3.38Å; V404-H450 HydrophobicContact CB-CB 4.26Å; V404-H450 VanDerWaalsContact CG1-CA 3.5Å; V404-H450 HydrophobicContact CG1-CB 3.84Å; V404-R576 HydrophobicContact CG2-CB 3.71Å; V404-R576 HydrophobicContact CG2-CG 3.58Å
405	A	98	Very high	96.5	Very high	3 Å²	3	22.5 Å²	22.5	3%	0.025	11%	0.111	C	C	.	.	H	α-helix	trans	-61.1	-38.4	173.8	0	0	0	0	0	112.6	L245 L247 H331 L336 M401 A402 T403 E408	L245-A405 HydrophobicContact CD1-CB 3.94Å; L247-A405 HydrophobicContact CD2-CB 4.07Å; H331-A405 PolarHBondContact CD2-O 3.39Å; L336-A405 HydrophobicContact CD1-CB 4.1Å; M401-A405 WeakPolarHBondContact O-CB 3.46Å; M401-A405 PolarHBondContact O-N 3.44Å; A402-A405 PolarHBondContact O-N 3.34Å; T403-A405 VanDerWaalsContact C-N 3.29Å; T403-A405 PolarHBondContact O-N 2.66Å; A405-E408 PolarHBondContact O-N 2.88Å
406	Y	97.7	Very high	96.7	Very high	24 Å²	24	21.4 Å²	21.4	9%	0.094	11%	0.106	C	C	.	.	H	α-helix	trans	-66.8	-40.3	175.8	174	-95.8	0	0	0	112.5	R333 L336 H337 L340 P347 A402 T403 V404 E408	R333-Y406 HydrophobicContact CB-CE2 4.35Å; R333-Y406 HydrophobicContact CG-CD2 4.45Å; R333-Y406 HydrophobicContact CG-CE2 4.49Å; L336-Y406 HydrophobicContact CB-CD2 3.95Å; H337-Y406 HydrophobicContact CB-CE2 4.06Å; L340-Y406 HydrophobicContact CD1-CG 4.34Å; P347-Y406 HydrophobicContact CB-CD1 3.63Å; P347-Y406 HydrophobicContact CB-CE1 3.24Å; P347-Y406 HydrophobicContact CB-CE2 4.34Å; P347-Y406 HydrophobicContact CB-CG 4.32Å; P347-Y406 HydrophobicContact CG-CD1 4.07Å; P347-Y406 HydrophobicContact CG-CD2 4.4Å; P347-Y406 HydrophobicContact CG-CE1 3.99Å; P347-Y406 HydrophobicContact CG-CE2 4.32Å; P347-Y406 HydrophobicContact CG-CG 4.27Å; A402-Y406 WeakPolarHBondContact O-CB 3.49Å; A402-Y406 PolarHBondContact O-N 2.85Å; T403-Y406 WeakPolarHBondContact O-CB 3.34Å; T403-Y406 PolarHBondContact O-N 3.44Å; T403-Y406 VanDerWaalsContact O-N 3.11Å; V404-Y406 VanDerWaalsContact C-N 3.32Å; V404-Y406 PolarHBondContact O-N 3.19Å; Y406-E408 PolarHBondContact O-N 2.96Å
407	E	96.7	Very high	96.8	Very high	19 Å²	19	14.1 Å²	14.1	9%	0.089	8%	0.075	C	C	.	.	H	α-helix	trans	-69.8	-18.2	179.5	-72.1	174.9	164.4	0	0	113.3	T403 V404 S447 P568 S569	T403-E407 HydrophobicContact CG2-CG 4.44Å; T403-E407 WeakPolarHBondContact O-CG 3.01Å; T403-E407 PolarHBondContact O-N 3.45Å; V404-E407 PolarHBondContact O-N 3.48Å; E407-S447 WeakPolarHBondContact O-CB 3.46Å; E407-P568 WeakPolarHBondContact OE1-CD 3.38Å; E407-S569 VanDerWaalsContact CD-OG 3.28Å; E407-S569 WeakPolarHBondContact OE1-CB 3.25Å; E407-S569 PolarHBondContact OE1-N 3.21Å; E407-S569 PolarHBondContact OE1-OG 3.08Å; E407-S569 VanDerWaalsContact OE2-CB 3.3Å; E407-S569 WeakPolarHBondContact OE2-CB 3.17Å; E407-S569 PolarHBondContact OE2-OG 3.37Å
408	E	96.9	Very high	96.9	Very high	7 Å²	7	14 Å²	14	3%	0.033	8%	0.076	C	C	.	.	S	Bend	trans	-60.2	143.9	178.7	-58.1	-163	179.1	0	0	112.4	R333 V404 A405 Y406 P410 S447 S449 H450 K457	R333-E408 PolarHBondContact NH2-O 2.76Å; V404-E408 VanDerWaalsContact O-CG 3.26Å; V404-E408 WeakPolarHBondContact O-CG 3.22Å; V404-E408 PolarHBondContact O-N 3.38Å; A405-E408 PolarHBondContact O-N 2.88Å; Y406-E408 PolarHBondContact O-N 2.96Å; E408-P410 WeakPolarHBondContact O-CD 3.28Å; E408-S447 WeakPolarHBondContact CA-OG 3.37Å; E408-S449 WeakPolarHBondContact OE1-CA 3.31Å; E408-S449 WeakPolarHBondContact OE1-CB 3.43Å; E408-S449 PolarHBondContact OE1-OG 3.19Å; E408-H450 IonicContact OE1-CE1 3.7Å; E408-H450 IonicContact OE1-CG 2.86Å; E408-H450 PolarHBondContact OE1-N 3.04Å; E408-H450 IonicContact OE1-ND1 3.15Å; E408-H450 PolarHBondContact OE1-ND1 3.39Å; E408-K457 IonicContact OE2-NZ 3.61Å; E408-K457 PolarHBondContact OE2-NZ 2.87Å
409	L	97.6	Very high	96.9	Very high	4 Å²	4	16.8 Å²	16.8	2%	0.021	9%	0.091	C	C	.	.			trans	-64.3	117.7	168.5	-62.1	179.6	0	0	0	109.7	D411 V412 R445 S447 K457	L409-D411 VanDerWaalsContact C-N 3.31Å; L409-D411 PolarHBondContact O-N 2.78Å; L409-V412 HydrophobicContact CB-CB 3.96Å; L409-V412 HydrophobicContact CB-CG2 3.9Å; L409-V412 HydrophobicContact CD1-CB 4.38Å; L409-V412 HydrophobicContact CD1-CG2 3.79Å; L409-R445 HydrophobicContact CD1-CB 3.91Å; L409-R445 HydrophobicContact CD2-CB 3.81Å; L409-S447 PolarHBondContact N-OG 3.34Å; L409-S447 VanDerWaalsContact N-OG 3.11Å; L409-K457 HydrophobicContact CD1-CB 4.47Å
410	P	95.5	Very high	96.9	Very high	47 Å²	47	19.9 Å²	19.9	31%	0.305	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-22.8	-171.8	30.4	-35.4	0	0	0	113.1	E408	E408-P410 WeakPolarHBondContact O-CD 3.28Å
411	D	94.6	Very high	96.9	Very high	95 Å²	95	19.9 Å²	19.9	51%	0.508	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	2.3	-174.2	60.8	-52.5	0	0	0	113.6	L409 P413 R445	L409-D411 VanDerWaalsContact C-N 3.31Å; L409-D411 PolarHBondContact O-N 2.78Å; D411-P413 WeakPolarHBondContact O-CD 3.42Å; D411-R445 VanDerWaalsContact CG-NH2 3.35Å; D411-R445 IonicContact OD1-CZ 3.11Å; D411-R445 IonicContact OD1-NH1 3.22Å; D411-R445 PolarHBondContact OD1-NH1 3.07Å; D411-R445 IonicContact OD1-NH2 2.7Å; D411-R445 PolarHBondContact OD1-NH2 2.85Å; D411-R445 IonicContact OD2-CZ 2.74Å; D411-R445 IonicContact OD2-NH1 2.71Å; D411-R445 PolarHBondContact OD2-NH1 2.69Å; D411-R445 IonicContact OD2-NH2 3.15Å; D411-R445 PolarHBondContact OD2-NH2 3.19Å
412	V	97.1	Very high	96.9	Very high	9 Å²	9	19.6 Å²	19.6	6%	0.055	10%	0.104	C	C	.	.			trans	-106.4	106	173.9	178.2	0	0	0	0	109.2	L409 L414 K457 T458 D459	L409-V412 HydrophobicContact CB-CB 3.96Å; L409-V412 HydrophobicContact CB-CG2 3.9Å; L409-V412 HydrophobicContact CD1-CB 4.38Å; L409-V412 HydrophobicContact CD1-CG2 3.79Å; V412-L414 PolarHBondContact O-N 3.06Å; V412-K457 HydrophobicContact CG1-CB 4.37Å; V412-T458 WeakPolarHBondContact CG1-O 3.11Å; V412-D459 HydrophobicContact CG2-CB 4.16Å
413	P	94.7	Very high	96.9	Very high	24 Å²	24	23.4 Å²	23.4	16%	0.156	13%	0.131	C	C	.	.			trans	-73.8	-24.3	-167.4	-24.8	36.8	0	0	0	116.6	R224 I287 D411	R224-P413 PolarHBondContact NE-O 3.28Å; R224-P413 VanDerWaalsContact NH2-CA 3.27Å; R224-P413 PolarHBondContact NH2-O 3.46Å; I287-P413 HydrophobicContact CD1-CB 3.6Å; I287-P413 HydrophobicContact CD1-CG 3.72Å; D411-P413 WeakPolarHBondContact O-CD 3.42Å
414	L	97.4	Very high	96.8	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.01	14%	0.135	C	C	.	.			trans	-135.6	153.6	-177.7	-61	172.4	0	0	0	110.5	E220 V221 Y285 F322 I325 V412	E220-L414 HydrophobicContact CG-CD2 4.16Å; V221-L414 HydrophobicContact CG2-CD2 3.85Å; Y285-L414 HydrophobicContact CD2-CB 4.49Å; Y285-L414 HydrophobicContact CD2-CD1 3.98Å; Y285-L414 HydrophobicContact CE1-CB 4.1Å; Y285-L414 HydrophobicContact CE2-CB 3.96Å; Y285-L414 HydrophobicContact CE2-CD1 4.16Å; Y285-L414 HydrophobicContact CE2-CG 4.41Å; Y285-L414 HydrophobicContact CG-CD1 4.37Å; Y285-L414 PolarHBondContact OH-O 3.48Å; F322-L414 HydrophobicContact CZ-CD1 4.22Å; I325-L414 HydrophobicContact CD1-CD2 4.44Å; V412-L414 PolarHBondContact O-N 3.06Å
415	Y	97.5	Very high	96.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-103.2	157.1	171.5	58.7	-103.5	0	0	0	112.6	S217 E220 I417 S449 A451 D452 L456	S217-Y415 VanDerWaalsContact CA-CE2 3.47Å; S217-Y415 WeakPolarHBondContact CB-O 3.43Å; S217-Y415 PolarHBondContact OG-O 3.48Å; E220-Y415 HydrophobicContact CB-CD1 4.2Å; E220-Y415 HydrophobicContact CB-CE1 3.61Å; E220-Y415 WeakPolarHBondContact OE2-CD1 3.29Å; E220-Y415 WeakPolarHBondContact OE2-CE1 3.4Å; Y415-I417 HydrophobicContact CD2-CD1 3.88Å; Y415-I417 HydrophobicContact CD2-CG1 4.33Å; Y415-I417 HydrophobicContact CE2-CD1 3.45Å; Y415-I417 VanDerWaalsContact CE2-CD1 3.45Å; Y415-I417 HydrophobicContact CE2-CG1 4.01Å; Y415-S449 VanDerWaalsContact CD1-CB 3.44Å; Y415-A451 HydrophobicContact CE1-CB 3.93Å; Y415-D452 HydrophobicContact CE2-CB 4.18Å; Y415-L456 CarbonylContact C-O 3.47Å; Y415-L456 WeakPolarHBondContact CA-O 3.39Å; Y415-L456 WeakPolarHBondContact CB-O 3.36Å
416	Y	97.8	Very high	96.4	Very high	16 Å²	16	26.8 Å²	26.8	6%	0.063	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	157.8	161.8	-56.1	-79.5	0	0	0	111	L283 Y285 L421 S455 L456 T458 H462 V465	L283-Y416 WeakPolarHBondContact O-CE1 3.12Å; Y285-Y416 HydrophobicContact CD1-CD1 4.45Å; Y285-Y416 AromaticContact CD1-CE1 3.68Å; Y285-Y416 HydrophobicContact CD1-CE1 3.68Å; Y285-Y416 AromaticContact CD1-CZ 3.88Å; Y285-Y416 HydrophobicContact CE1-CD1 4.41Å; Y285-Y416 AromaticContact CE1-CE1 3.72Å; Y285-Y416 HydrophobicContact CE1-CE1 3.72Å; Y285-Y416 HydrophobicContact CE1-CE2 4.06Å; Y285-Y416 AromaticContact CE1-CZ 3.52Å; Y416-L421 HydrophobicContact CD1-CD1 4.42Å; Y416-L421 HydrophobicContact CD1-CD2 4.43Å; Y416-L421 HydrophobicContact CG-CD1 4.01Å; Y416-S455 CarbonylContact O-C 3.57Å; Y416-S455 VanDerWaalsContact O-CA 3.31Å; Y416-S455 WeakPolarHBondContact O-CA 3.35Å; Y416-L456 PolarHBondContact N-O 2.81Å; Y416-L456 PolarHBondContact O-N 3.44Å; Y416-T458 HydrophobicContact CE2-CG2 4.37Å; Y416-H462 AromaticContact CE1-CE1 3.73Å; Y416-H462 AromaticContact CE1-ND1 3.3Å; Y416-H462 VanDerWaalsContact CE1-ND1 3.3Å; Y416-H462 WeakPolarHBondContact CE1-ND1 3.26Å; Y416-H462 AromaticContact CZ-ND1 3.39Å; Y416-H462 PolarHBondContact OH-ND1 2.86Å; Y416-H462 VanDerWaalsContact OH-ND1 3.15Å; Y416-V465 HydrophobicContact CD2-CG1 4.44Å; Y416-V465 HydrophobicContact CE2-CG2 4.13Å
417	I	97.3	Very high	96.2	Very high	10 Å²	10	27.1 Å²	27.1	5%	0.051	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	120.3	164.9	-65.6	-63.4	0	0	0	108.7	G216 Y415 D419 Q420 L421 D452 N454	G216-I417 WeakPolarHBondContact O-CG1 3.4Å; Y415-I417 HydrophobicContact CD2-CD1 3.88Å; Y415-I417 HydrophobicContact CD2-CG1 4.33Å; Y415-I417 HydrophobicContact CE2-CD1 3.45Å; Y415-I417 VanDerWaalsContact CE2-CD1 3.45Å; Y415-I417 HydrophobicContact CE2-CG1 4.01Å; I417-D419 HydrophobicContact CG2-CB 4.08Å; I417-D419 PolarHBondContact O-N 2.84Å; I417-Q420 HydrophobicContact CB-CB 4.23Å; I417-Q420 HydrophobicContact CB-CG 3.93Å; I417-Q420 HydrophobicContact CG2-CB 4.34Å; I417-Q420 HydrophobicContact CG2-CG 3.81Å; I417-Q420 PolarHBondContact O-N 3.44Å; I417-Q420 VanDerWaalsContact O-N 3.1Å; I417-L421 PolarHBondContact O-N 2.88Å; I417-L421 VanDerWaalsContact O-N 3.09Å; I417-D452 HydrophobicContact CD1-CB 3.87Å; I417-N454 WeakPolarHBondContact CA-O 3.49Å; I417-N454 HydrophobicContact CG2-CB 4.41Å
418	T	97.4	Very high	96.2	Very high	16 Å²	16	29.4 Å²	29.4	10%	0.098	18%	0.182	C	C	.	.	H	α-helix	trans	-59.1	-35.4	-175.8	52.2	0	0	0	0	112.7	Q420 L421 A422 L435 N454 L456	T418-Q420 VanDerWaalsContact C-N 3.33Å; T418-Q420 PolarHBondContact O-N 3.03Å; T418-L421 PolarHBondContact O-N 3.18Å; T418-A422 WeakPolarHBondContact O-CB 3.33Å; T418-A422 PolarHBondContact O-N 3.1Å; T418-L435 HydrophobicContact CG2-CD2 3.68Å; T418-N454 PolarHBondContact N-O 3.4Å; T418-N454 PolarHBondContact OG1-O 2.81Å; T418-L456 HydrophobicContact CG2-CB 4.13Å
419	D	96.2	Very high	96.1	Very high	58 Å²	58	33.2 Å²	33.2	31%	0.31	20%	0.202	S	C	.	.	H	α-helix	trans	-67.8	-37	180	-55.6	3.5	0	0	0	111.6	I417 S423 I429 N454	I417-D419 HydrophobicContact CG2-CB 4.08Å; I417-D419 PolarHBondContact O-N 2.84Å; D419-S423 VanDerWaalsContact O-CB 3.31Å; D419-S423 WeakPolarHBondContact O-CB 3.48Å; D419-S423 PolarHBondContact O-N 3.3Å; D419-I429 HydrophobicContact CB-CD1 4.09Å; D419-I429 WeakPolarHBondContact OD1-CD1 3.38Å; D419-N454 VanDerWaalsContact CG-ND2 3.31Å; D419-N454 PolarHBondContact OD1-ND2 3.01Å; D419-N454 PolarHBondContact OD2-ND2 3.44Å
420	Q	96.6	Very high	96	Very high	74 Å²	74	33.3 Å²	33.3	35%	0.346	20%	0.203	S	C	.	.	H	α-helix	trans	-72	-41.7	178	-62.3	-178.3	9.8	0	0	110.2	G216 L283 I417 T418 S423 V424	G216-Q420 VanDerWaalsContact CA-OE1 3.25Å; L283-Q420 HydrophobicContact CD1-CB 3.48Å; L283-Q420 VanDerWaalsContact CD1-CB 3.48Å; I417-Q420 HydrophobicContact CB-CB 4.23Å; I417-Q420 HydrophobicContact CB-CG 3.93Å; I417-Q420 HydrophobicContact CG2-CB 4.34Å; I417-Q420 HydrophobicContact CG2-CG 3.81Å; I417-Q420 PolarHBondContact O-N 3.44Å; I417-Q420 VanDerWaalsContact O-N 3.1Å; T418-Q420 VanDerWaalsContact C-N 3.33Å; T418-Q420 PolarHBondContact O-N 3.03Å; Q420-S423 WeakPolarHBondContact O-CB 3.44Å; Q420-S423 PolarHBondContact O-N 3.29Å; Q420-V424 WeakPolarHBondContact O-CG2 3.44Å; Q420-V424 PolarHBondContact O-N 3Å
421	L	97.2	Very high	96	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-60.4	-46.6	172.9	-71.8	173.3	0	0	0	111.7	L283 Y416 I417 T418 S423 V424 F425 V465 F469	L283-L421 HydrophobicContact CB-CD2 4.44Å; L283-L421 HydrophobicContact CD1-CD2 4.22Å; L283-L421 HydrophobicContact CD1-CG 4.48Å; Y416-L421 HydrophobicContact CD1-CD1 4.42Å; Y416-L421 HydrophobicContact CD1-CD2 4.43Å; Y416-L421 HydrophobicContact CG-CD1 4.01Å; I417-L421 PolarHBondContact O-N 2.88Å; I417-L421 VanDerWaalsContact O-N 3.09Å; T418-L421 PolarHBondContact O-N 3.18Å; L421-S423 VanDerWaalsContact C-N 3.28Å; L421-S423 PolarHBondContact O-N 3.29Å; L421-V424 WeakPolarHBondContact O-CB 3.47Å; L421-V424 PolarHBondContact O-N 2.91Å; L421-F425 WeakPolarHBondContact O-CD2 3.43Å; L421-F425 PolarHBondContact O-N 2.77Å; L421-V465 HydrophobicContact CD1-CG1 3.78Å; L421-F469 HydrophobicContact CB-CD1 4.06Å; L421-F469 HydrophobicContact CB-CD2 4.25Å; L421-F469 HydrophobicContact CB-CE1 3.61Å; L421-F469 HydrophobicContact CB-CE2 3.83Å; L421-F469 HydrophobicContact CB-CG 4.36Å; L421-F469 HydrophobicContact CB-CZ 3.48Å; L421-F469 VanDerWaalsContact CB-CZ 3.48Å; L421-F469 HydrophobicContact CD1-CD2 4.32Å; L421-F469 HydrophobicContact CD1-CE2 3.57Å; L421-F469 HydrophobicContact CD1-CZ 3.8Å; L421-F469 HydrophobicContact CG-CE2 4.33Å; L421-F469 HydrophobicContact CG-CZ 4.31Å
422	A	97	Very high	96.1	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.008	21%	0.205	C	C	.	.	H	α-helix	trans	-59.9	-39.3	175.3	0	0	0	0	0	112	T418 V424 F425 G426 C427 I429 F469	T418-A422 WeakPolarHBondContact O-CB 3.33Å; T418-A422 PolarHBondContact O-N 3.1Å; A422-V424 PolarHBondContact O-N 3.08Å; A422-F425 CarbonylContact O-C 3.56Å; A422-F425 PolarHBondContact O-N 2.84Å; A422-G426 PolarHBondContact O-N 3.22Å; A422-C427 PolarHBondContact O-N 3.36Å; A422-C427 VanDerWaalsContact O-N 3.13Å; A422-I429 HydrophobicContact CB-CB 4.5Å; A422-I429 HydrophobicContact CB-CG1 3.89Å; A422-F469 HydrophobicContact CB-CD1 4.35Å; A422-F469 HydrophobicContact CB-CE1 4.02Å
423	S	96.2	Very high	96	Very high	80 Å²	80	36.5 Å²	36.5	56%	0.559	21%	0.21	S	C	*	.	H	α-helix	trans	-62.8	-37.8	176.2	-176.3	0	0	0	0	112.9	D419 Q420 L421 F425 G426 R545	D419-S423 VanDerWaalsContact O-CB 3.31Å; D419-S423 WeakPolarHBondContact O-CB 3.48Å; D419-S423 PolarHBondContact O-N 3.3Å; Q420-S423 WeakPolarHBondContact O-CB 3.44Å; Q420-S423 PolarHBondContact O-N 3.29Å; L421-S423 VanDerWaalsContact C-N 3.28Å; L421-S423 PolarHBondContact O-N 3.29Å; S423-F425 VanDerWaalsContact C-N 3.27Å; S423-F425 PolarHBondContact O-N 3.16Å; S423-G426 PolarHBondContact O-N 3.43Å; S423-G426 VanDerWaalsContact O-N 3.12Å; S423-R545 PolarHBondContact O-NH2 2.88Å
424	V	95.8	Very high	96.2	Very high	17 Å²	17	37 Å²	37	10%	0.103	21%	0.211	C	C	.	.	H	α-helix	trans	-55.9	-44.1	173.8	171.6	0	0	0	0	110.3	L283 Q420 L421 A422 V544 R545 L548	L283-V424 HydrophobicContact CD1-CG2 4.16Å; L283-V424 HydrophobicContact CG-CG2 4.22Å; Q420-V424 WeakPolarHBondContact O-CG2 3.44Å; Q420-V424 PolarHBondContact O-N 3Å; L421-V424 WeakPolarHBondContact O-CB 3.47Å; L421-V424 PolarHBondContact O-N 2.91Å; A422-V424 PolarHBondContact O-N 3.08Å; V424-V544 HydrophobicContact CG1-CG1 4.41Å; V424-R545 PolarHBondContact O-NE 3.47Å; V424-R545 PolarHBondContact O-NH2 3.37Å; V424-L548 HydrophobicContact CG1-CD1 3.34Å
425	F	95.2	Very high	96.2	Very high	6 Å²	6	37 Å²	37	3%	0.026	21%	0.211	C	C	.	.	H	α-helix	trans	-82	-18.1	177.2	-70.1	-80.7	0	0	0	114.5	L421 A422 S423 L466 F469 R470 R545 L548 R549	L421-F425 WeakPolarHBondContact O-CD2 3.43Å; L421-F425 PolarHBondContact O-N 2.77Å; A422-F425 CarbonylContact O-C 3.56Å; A422-F425 PolarHBondContact O-N 2.84Å; S423-F425 VanDerWaalsContact C-N 3.27Å; S423-F425 PolarHBondContact O-N 3.16Å; F425-L466 HydrophobicContact CE2-CD2 3.71Å; F425-L466 HydrophobicContact CZ-CB 4.13Å; F425-L466 HydrophobicContact CZ-CD2 3.82Å; F425-F469 HydrophobicContact CD2-CB 3.56Å; F425-F469 HydrophobicContact CD2-CG 4.3Å; F425-F469 HydrophobicContact CE2-CB 3.51Å; F425-F469 HydrophobicContact CE2-CG 4.37Å; F425-F469 HydrophobicContact CG-CB 4.36Å; F425-F469 HydrophobicContact CZ-CB 4.29Å; F425-R470 HydrophobicContact CD1-CG 4.23Å; F425-R470 HydrophobicContact CE1-CG 3.43Å; F425-R470 VanDerWaalsContact CE1-CG 3.43Å; F425-R470 HydrophobicContact CZ-CG 3.91Å; F425-R545 VanDerWaalsContact C-NE 3.28Å; F425-R545 VanDerWaalsContact O-CD 3.29Å; F425-R545 WeakPolarHBondContact O-CD 3.35Å; F425-R545 PolarHBondContact O-NE 3.34Å; F425-L548 HydrophobicContact CE1-CB 3.8Å; F425-L548 HydrophobicContact CE1-CD1 4.46Å; F425-L548 HydrophobicContact CZ-CB 4.19Å; F425-L548 HydrophobicContact CZ-CD1 4.25Å; F425-R549 HydrophobicContact CD1-CG 4.22Å
426	G	92.9	Very high	96.2	Very high	54 Å²	54	37.3 Å²	37.3	56%	0.557	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	30.3	-175	0	0	0	0	0	112.9	A422 S423	A422-G426 PolarHBondContact O-N 3.22Å; S423-G426 PolarHBondContact O-N 3.43Å; S423-G426 VanDerWaalsContact O-N 3.12Å
427	C	93.5	Very high	96.2	Very high	30 Å²	30	36.6 Å²	36.6	20%	0.203	21%	0.21	C	C	.	.			trans	-110.4	175	-179.7	69.2	0	0	0	0	112.1	A422 C473	A422-C427 PolarHBondContact O-N 3.36Å; A422-C427 VanDerWaalsContact O-N 3.13Å; C427-C473 WeakPolarHBondContact CB-SG 3.41Å; C427-C473 VanDerWaalsContact SG-SG 3.63Å
428	T	95.5	Very high	96.3	Very high	68 Å²	68	36.1 Å²	36.1	42%	0.417	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-73.1	158.3	168.6	63.4	0	0	0	0	110.5	H472 I476	T428-H472 PolarHBondContact O-CD2 3.22Å; T428-H472 PolarHBondContact O-NE2 3.36Å; T428-I476 WeakPolarHBondContact OG1-CD1 3.48Å
429	I	96	Very high	96.4	Very high	86 Å²	86	35.4 Å²	35.4	44%	0.441	20%	0.203	S	C	.	.	P	Polyproline II helix	trans	-74.3	128	-179.5	-58.1	155.6	0	0	0	108.7	D419 A422	D419-I429 HydrophobicContact CB-CD1 4.09Å; D419-I429 WeakPolarHBondContact OD1-CD1 3.38Å; A422-I429 HydrophobicContact CB-CB 4.5Å; A422-I429 HydrophobicContact CB-CG1 3.89Å
430	P	95.2	Very high	96.5	Very high	6 Å²	6	33.8 Å²	33.8	4%	0.039	19%	0.194	C	C	.	.	P	Polyproline II helix	trans	-59.8	144.2	172	-15.4	24.8	0	0	0	111.2	Q432 L435 F469 H472	P430-Q432 PolarHBondContact O-N 2.89Å; P430-L435 HydrophobicContact CB-CB 4.29Å; P430-F469 HydrophobicContact CG-CD1 4.13Å; P430-F469 HydrophobicContact CG-CE1 3.86Å; P430-F469 HydrophobicContact CG-CZ 4.24Å; P430-H472 HydrophobicContact CG-CB 4.19Å
431	K	95.3	Very high	96.5	Very high	144 Å²	144	32.7 Å²	32.7	63%	0.626	19%	0.191	S	C	*	.	P	Polyproline II helix	trans	-60	139.8	170.2	-67.4	-179.5	-179.1	176.3	0	108.8	D434 L435	K431-D434 HydrophobicContact CB-CB 4.45Å; K431-D434 WeakPolarHBondContact O-CB 3.49Å; K431-D434 PolarHBondContact O-N 3.03Å; K431-L435 PolarHBondContact O-N 2.86Å
432	Q	95.4	Very high	96.6	Very high	51 Å²	51	33.5 Å²	33.5	24%	0.238	20%	0.197	C	C	.	.	H	α-helix	trans	-54.4	-47.9	-180	-175.2	-154.9	-53.3	0	0	112.5	P430 D434 L435 Y436	P430-Q432 PolarHBondContact O-N 2.89Å; Q432-D434 VanDerWaalsContact C-N 3.33Å; Q432-D434 PolarHBondContact O-N 3.31Å; Q432-L435 PolarHBondContact O-N 2.93Å; Q432-Y436 HydrophobicContact CG-CD1 3.82Å; Q432-Y436 HydrophobicContact CG-CE1 3.54Å; Q432-Y436 HydrophobicContact CG-CE2 4.28Å; Q432-Y436 HydrophobicContact CG-CG 4.31Å; Q432-Y436 WeakPolarHBondContact O-CB 3.34Å; Q432-Y436 WeakPolarHBondContact O-CD1 3.18Å; Q432-Y436 PolarHBondContact O-N 3.08Å
433	P	96.5	Very high	96.6	Very high	23 Å²	23	40.7 Å²	40.7	15%	0.149	24%	0.235	C	C	.	.	H	α-helix	trans	-40.4	-52	166.6	-42.9	44.7	0	0	0	116.3	S437 R561 A565 E566	P433-S437 WeakPolarHBondContact O-CB 3.46Å; P433-S437 PolarHBondContact O-N 3.24Å; P433-S437 PolarHBondContact O-OG 2.94Å; P433-R561 VanDerWaalsContact CA-NH1 3.33Å; P433-A565 WeakPolarHBondContact O-CB 3.45Å; P433-E566 HydrophobicContact CG-CG 4.32Å
434	D	97.5	Very high	96.7	Very high	34 Å²	34	39.9 Å²	39.9	18%	0.182	22%	0.22	C	C	.	.	H	α-helix	trans	-66.6	-48.2	-177.8	-70.4	32.3	0	0	0	110.2	K431 Q432 Y436 S437 C438 R475 F559	K431-D434 HydrophobicContact CB-CB 4.45Å; K431-D434 WeakPolarHBondContact O-CB 3.49Å; K431-D434 PolarHBondContact O-N 3.03Å; Q432-D434 VanDerWaalsContact C-N 3.33Å; Q432-D434 PolarHBondContact O-N 3.31Å; D434-Y436 VanDerWaalsContact C-N 3.34Å; D434-Y436 PolarHBondContact O-N 3.04Å; D434-S437 PolarHBondContact O-N 3.17Å; D434-C438 PolarHBondContact O-N 2.99Å; D434-R475 IonicContact OD2-CZ 3.16Å; D434-R475 IonicContact OD2-NH1 2.6Å; D434-R475 PolarHBondContact OD2-NH1 3.21Å; D434-R475 VanDerWaalsContact OD2-NH1 3.08Å; D434-R475 IonicContact OD2-NH2 3.62Å; D434-R475 PolarHBondContact OD2-NH2 2.95Å; D434-F559 HydrophobicContact CB-CD1 3.79Å; D434-F559 HydrophobicContact CB-CE1 4.22Å; D434-F559 VanDerWaalsContact O-CD1 3.28Å; D434-F559 WeakPolarHBondContact O-CD1 3.2Å
435	L	97.7	Very high	96.9	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.016	23%	0.227	C	C	.	.	H	α-helix	trans	-64.7	-39.3	-178.1	-173.7	57.1	0	0	0	112.2	T418 P430 K431 Q432 C438 L439 L456 C468 F469	T418-L435 HydrophobicContact CG2-CD2 3.68Å; P430-L435 HydrophobicContact CB-CB 4.29Å; K431-L435 PolarHBondContact O-N 2.86Å; Q432-L435 PolarHBondContact O-N 2.93Å; L435-C438 WeakPolarHBondContact O-CB 3.49Å; L435-C438 PolarHBondContact O-N 2.81Å; L435-L439 PolarHBondContact O-N 2.89Å; L435-L456 HydrophobicContact CD2-CD1 4.11Å; L435-L456 HydrophobicContact CD2-CD2 3.92Å; L435-L456 HydrophobicContact CG-CD1 4.31Å; L435-L456 HydrophobicContact CG-CD2 4.39Å; L435-C468 HydrophobicContact CD1-CB 3.89Å; L435-F469 HydrophobicContact CD1-CE2 3.98Å; L435-F469 HydrophobicContact CD2-CE2 4.09Å; L435-F469 HydrophobicContact CD2-CZ 4.04Å
436	Y	98.2	Very high	97	Very high	7 Å²	7	42.9 Å²	42.9	3%	0.027	23%	0.232	C	C	.	.	H	α-helix	trans	-67.5	-40.9	176.1	-80.1	28.3	0	0	0	110.4	Q432 D434 C438 L439 L440 V446 S447 C448 L456 A565	Q432-Y436 HydrophobicContact CG-CD1 3.82Å; Q432-Y436 HydrophobicContact CG-CE1 3.54Å; Q432-Y436 HydrophobicContact CG-CE2 4.28Å; Q432-Y436 HydrophobicContact CG-CG 4.31Å; Q432-Y436 WeakPolarHBondContact O-CB 3.34Å; Q432-Y436 WeakPolarHBondContact O-CD1 3.18Å; Q432-Y436 PolarHBondContact O-N 3.08Å; D434-Y436 VanDerWaalsContact C-N 3.34Å; D434-Y436 PolarHBondContact O-N 3.04Å; Y436-C438 VanDerWaalsContact C-N 3.32Å; Y436-C438 PolarHBondContact O-N 3.48Å; Y436-L439 PolarHBondContact O-N 2.75Å; Y436-L440 WeakPolarHBondContact O-CB 3.22Å; Y436-L440 WeakPolarHBondContact O-CD1 3.42Å; Y436-L440 WeakPolarHBondContact O-CG 3.08Å; Y436-L440 PolarHBondContact O-N 3.24Å; Y436-V446 HydrophobicContact CD1-CG1 4.35Å; Y436-V446 HydrophobicContact CD1-CG2 3.67Å; Y436-V446 HydrophobicContact CD2-CG1 3.87Å; Y436-V446 HydrophobicContact CD2-CG2 4.33Å; Y436-V446 HydrophobicContact CE1-CG2 3.61Å; Y436-V446 HydrophobicContact CE2-CG1 4.37Å; Y436-V446 HydrophobicContact CE2-CG2 4.29Å; Y436-V446 HydrophobicContact CG-CG1 3.85Å; Y436-V446 HydrophobicContact CG-CG2 4.04Å; Y436-S447 VanDerWaalsContact OH-C 3.25Å; Y436-S447 PolarHBondContact OH-O 3.19Å; Y436-C448 WeakPolarHBondContact OH-CA 3.39Å; Y436-C448 PolarHBondContact OH-N 3.17Å; Y436-L456 HydrophobicContact CD1-CD1 4.08Å; Y436-L456 HydrophobicContact CE1-CD1 3.67Å; Y436-A565 WeakPolarHBondContact CD2-O 3.27Å
437	S	98.6	Very high	97.2	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.007	21%	0.209	C	C	.	.	H	α-helix	trans	-60.7	-41.8	174.8	-54.7	0	0	0	0	111.6	P433 D434 L439 L440 N441 T560 H562 A565	P433-S437 WeakPolarHBondContact O-CB 3.46Å; P433-S437 PolarHBondContact O-N 3.24Å; P433-S437 PolarHBondContact O-OG 2.94Å; D434-S437 PolarHBondContact O-N 3.17Å; S437-L439 VanDerWaalsContact C-N 3.29Å; S437-L439 PolarHBondContact O-N 3.09Å; S437-L440 PolarHBondContact O-N 2.97Å; S437-N441 VanDerWaalsContact O-CB 3.25Å; S437-N441 WeakPolarHBondContact O-CB 3.12Å; S437-N441 PolarHBondContact O-N 3.17Å; S437-N441 PolarHBondContact O-ND2 2.97Å; S437-N441 VanDerWaalsContact O-ND2 3.08Å; S437-T560 WeakPolarHBondContact CB-O 3.04Å; S437-H562 PolarHBondContact OG-N 3.03Å; S437-A565 VanDerWaalsContact OG-CB 3.26Å; S437-A565 WeakPolarHBondContact OG-CB 3.35Å
438	C	98.5	Very high	97.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-52.3	-45.5	174.2	-171.5	0	0	0	0	112.9	D434 L435 Y436 C468 S558 F559	D434-C438 PolarHBondContact O-N 2.99Å; L435-C438 WeakPolarHBondContact O-CB 3.49Å; L435-C438 PolarHBondContact O-N 2.81Å; Y436-C438 VanDerWaalsContact C-N 3.32Å; Y436-C438 PolarHBondContact O-N 3.48Å; C438-C468 HydrophobicContact CB-CB 4.12Å; C438-C468 WeakPolarHBondContact CB-SG 3.43Å; C438-C468 WeakPolarHBondContact SG-CB 3.25Å; C438-C468 CovalentContact SG-SG 2.06Å; C438-C468 PolarHBondContact SG-SG 2.92Å; C438-S558 VanDerWaalsContact CA-O 3.22Å; C438-S558 WeakPolarHBondContact CA-O 3.3Å; C438-S558 PolarHBondContact N-O 2.92Å; C438-F559 HydrophobicContact CB-CD1 4.03Å; C438-F559 HydrophobicContact CB-CE1 3.77Å; C438-F559 HydrophobicContact CB-CZ 4.22Å
439	L	98.6	Very high	97.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.18	C	C	.	.	H	α-helix	trans	-76	-46.4	-178.9	-66.6	164.3	0	0	0	111.9	L435 Y436 S437 A442 N443 Y444 V446 L456 T458 A460 F464	L435-L439 PolarHBondContact O-N 2.89Å; Y436-L439 PolarHBondContact O-N 2.75Å; S437-L439 VanDerWaalsContact C-N 3.29Å; S437-L439 PolarHBondContact O-N 3.09Å; L439-A442 CarbonylContact O-C 3.47Å; L439-A442 PolarHBondContact O-N 3.01Å; L439-N443 PolarHBondContact O-N 3.48Å; L439-Y444 WeakPolarHBondContact O-CB 3.43Å; L439-Y444 PolarHBondContact O-N 3.41Å; L439-V446 HydrophobicContact CB-CB 4.36Å; L439-V446 HydrophobicContact CD1-CB 4.01Å; L439-V446 HydrophobicContact CD1-CG2 3.66Å; L439-L456 HydrophobicContact CD1-CD1 3.82Å; L439-L456 HydrophobicContact CD1-CD2 4.28Å; L439-L456 HydrophobicContact CD1-CG 4.38Å; L439-T458 HydrophobicContact CD1-CG2 4.44Å; L439-T458 HydrophobicContact CD2-CG2 4.43Å; L439-A460 HydrophobicContact CD2-CB 3.68Å; L439-F464 HydrophobicContact CD2-CD1 3.93Å; L439-F464 HydrophobicContact CD2-CE1 4.06Å
440	L	98.3	Very high	97.4	Very high	24 Å²	24	32.3 Å²	32.3	13%	0.126	16%	0.16	C	C	.	.	H	α-helix	trans	-66.3	-39.6	-176.3	-69.8	164	0	0	0	112.4	Y436 S437 A442 N443 V446 H562 L564 A565	Y436-L440 WeakPolarHBondContact O-CB 3.22Å; Y436-L440 WeakPolarHBondContact O-CD1 3.42Å; Y436-L440 WeakPolarHBondContact O-CG 3.08Å; Y436-L440 PolarHBondContact O-N 3.24Å; S437-L440 PolarHBondContact O-N 2.97Å; L440-A442 PolarHBondContact O-N 2.86Å; L440-N443 WeakPolarHBondContact O-CA 3.39Å; L440-N443 PolarHBondContact O-N 2.71Å; L440-V446 HydrophobicContact CD1-CG1 4.03Å; L440-V446 HydrophobicContact CD2-CG1 3.96Å; L440-V446 HydrophobicContact CG-CG1 3.78Å; L440-H562 HydrophobicContact CB-CB 4.09Å; L440-H562 HydrophobicContact CD1-CB 4.26Å; L440-L564 HydrophobicContact CD1-CB 4.13Å; L440-A565 HydrophobicContact CD1-CB 4.22Å
441	N	98.4	Very high	97.5	Very high	51 Å²	51	32.7 Å²	32.7	27%	0.273	16%	0.164	S	C	.	.	H	α-helix	trans	-64.1	-24.2	176.8	-70.2	-26.2	0	0	0	112.7	S437 N443 S558 T560 H562	S437-N441 VanDerWaalsContact O-CB 3.25Å; S437-N441 WeakPolarHBondContact O-CB 3.12Å; S437-N441 PolarHBondContact O-N 3.17Å; S437-N441 PolarHBondContact O-ND2 2.97Å; S437-N441 VanDerWaalsContact O-ND2 3.08Å; N441-N443 VanDerWaalsContact C-N 3.29Å; N441-S558 PolarHBondContact ND2-O 3.41Å; N441-T560 PolarHBondContact ND2-O 3.36Å; N441-H562 PolarHBondContact OD1-CD2 3.4Å
442	A	98.2	Very high	97.5	Very high	17 Å²	17	28 Å²	28	14%	0.14	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	14.7	172.6	0	0	0	0	0	112.9	L439 L440 Y444 F464	L439-A442 CarbonylContact O-C 3.47Å; L439-A442 PolarHBondContact O-N 3.01Å; L440-A442 PolarHBondContact O-N 2.86Å; A442-Y444 HydrophobicContact CB-CD2 3.76Å; A442-Y444 HydrophobicContact CB-CE2 3.87Å; A442-Y444 PolarHBondContact O-N 3.08Å; A442-F464 HydrophobicContact CB-CE1 3.79Å; A442-F464 HydrophobicContact CB-CE2 3.97Å; A442-F464 HydrophobicContact CB-CZ 3.29Å
443	N	97.8	Very high	97.4	Very high	151 Å²	151	32 Å²	32	81%	0.807	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	19	-179.8	-58.2	-53.1	0	0	0	115.4	L439 L440 N441	L439-N443 PolarHBondContact O-N 3.48Å; L440-N443 WeakPolarHBondContact O-CA 3.39Å; L440-N443 PolarHBondContact O-N 2.71Å; N441-N443 VanDerWaalsContact C-N 3.29Å
444	Y	98.5	Very high	97.3	Very high	63 Å²	63	33.2 Å²	33.2	25%	0.247	17%	0.167	C	C	.	.			trans	-83.7	149.8	170.2	-63.1	-66.3	0	0	0	111.1	L439 A442 A460 P461 F464	L439-Y444 WeakPolarHBondContact O-CB 3.43Å; L439-Y444 PolarHBondContact O-N 3.41Å; A442-Y444 HydrophobicContact CB-CD2 3.76Å; A442-Y444 HydrophobicContact CB-CE2 3.87Å; A442-Y444 PolarHBondContact O-N 3.08Å; Y444-A460 VanDerWaalsContact CD1-CA 3.41Å; Y444-A460 HydrophobicContact CD1-CB 3.76Å; Y444-A460 HydrophobicContact CD2-CB 3.68Å; Y444-A460 HydrophobicContact CE1-CB 4.16Å; Y444-A460 HydrophobicContact CE2-CB 4.1Å; Y444-A460 HydrophobicContact CG-CB 3.5Å; Y444-A460 VanDerWaalsContact CG-CB 3.5Å; Y444-P461 VanDerWaalsContact CE1-CD 3.46Å; Y444-P461 VanDerWaalsContact CZ-CD 3.44Å; Y444-P461 WeakPolarHBondContact OH-CD 3.39Å; Y444-F464 AromaticContact CD2-CD1 3.72Å; Y444-F464 HydrophobicContact CD2-CD1 3.72Å; Y444-F464 AromaticContact CD2-CE1 3.78Å; Y444-F464 HydrophobicContact CD2-CE1 3.78Å; Y444-F464 HydrophobicContact CD2-CG 4.32Å; Y444-F464 HydrophobicContact CD2-CZ 4.42Å; Y444-F464 HydrophobicContact CE2-CB 4.33Å; Y444-F464 AromaticContact CE2-CD1 3.55Å; Y444-F464 HydrophobicContact CE2-CD1 3.55Å; Y444-F464 HydrophobicContact CE2-CD2 4.03Å; Y444-F464 AromaticContact CE2-CE1 3.82Å; Y444-F464 HydrophobicContact CE2-CE1 3.82Å; Y444-F464 HydrophobicContact CE2-CE2 4.27Å; Y444-F464 AromaticContact CE2-CG 3.67Å; Y444-F464 HydrophobicContact CE2-CG 3.67Å; Y444-F464 HydrophobicContact CE2-CZ 4.18Å
445	R	98	Very high	97.3	Very high	64 Å²	64	31.8 Å²	31.8	24%	0.242	16%	0.16	C	C	.	.			trans	-83.6	147.6	171.8	-62	-178.9	-62.5	149.5	11.9	109.6	L409 D411 T458 D459	L409-R445 HydrophobicContact CD1-CB 3.91Å; L409-R445 HydrophobicContact CD2-CB 3.81Å; D411-R445 VanDerWaalsContact CG-NH2 3.35Å; D411-R445 IonicContact OD1-CZ 3.11Å; D411-R445 IonicContact OD1-NH1 3.22Å; D411-R445 PolarHBondContact OD1-NH1 3.07Å; D411-R445 IonicContact OD1-NH2 2.7Å; D411-R445 PolarHBondContact OD1-NH2 2.85Å; D411-R445 IonicContact OD2-CZ 2.74Å; D411-R445 IonicContact OD2-NH1 2.71Å; D411-R445 PolarHBondContact OD2-NH1 2.69Å; D411-R445 IonicContact OD2-NH2 3.15Å; D411-R445 PolarHBondContact OD2-NH2 3.19Å; R445-T458 WeakPolarHBondContact O-CA 3.11Å; R445-T458 VanDerWaalsContact O-CB 3.28Å; R445-T458 WeakPolarHBondContact O-CB 3.47Å; R445-T458 PolarHBondContact O-OG1 3.38Å; R445-D459 IonicContact CZ-OD2 3.71Å; R445-D459 PolarHBondContact N-OD1 3.2Å; R445-D459 IonicContact NE-OD2 2.69Å; R445-D459 PolarHBondContact NE-OD2 3.11Å; R445-D459 IonicContact NH2-OD2 2.7Å; R445-D459 PolarHBondContact NH2-OD2 2.06Å; R445-D459 PolarHBondContact O-N 3.44Å
446	V	98.2	Very high	97.3	Very high	23 Å²	23	31.7 Å²	31.7	14%	0.139	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	142.9	178	64.1	0	0	0	0	110.6	Y436 L439 L440 L456 K457	Y436-V446 HydrophobicContact CD1-CG1 4.35Å; Y436-V446 HydrophobicContact CD1-CG2 3.67Å; Y436-V446 HydrophobicContact CD2-CG1 3.87Å; Y436-V446 HydrophobicContact CD2-CG2 4.33Å; Y436-V446 HydrophobicContact CE1-CG2 3.61Å; Y436-V446 HydrophobicContact CE2-CG1 4.37Å; Y436-V446 HydrophobicContact CE2-CG2 4.29Å; Y436-V446 HydrophobicContact CG-CG1 3.85Å; Y436-V446 HydrophobicContact CG-CG2 4.04Å; L439-V446 HydrophobicContact CB-CB 4.36Å; L439-V446 HydrophobicContact CD1-CB 4.01Å; L439-V446 HydrophobicContact CD1-CG2 3.66Å; L440-V446 HydrophobicContact CD1-CG1 4.03Å; L440-V446 HydrophobicContact CD2-CG1 3.96Å; L440-V446 HydrophobicContact CG-CG1 3.78Å; V446-L456 HydrophobicContact CG2-CD1 3.5Å; V446-L456 VanDerWaalsContact CG2-CD1 3.5Å; V446-K457 CarbonylContact C-O 3.59Å; V446-K457 VanDerWaalsContact CA-O 3.26Å; V446-K457 WeakPolarHBondContact CA-O 3.17Å; V446-K457 WeakPolarHBondContact CG2-O 3.32Å
447	S	97.4	Very high	97.3	Very high	8 Å²	8	31.5 Å²	31.5	6%	0.056	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	167.8	167.7	77.3	0	0	0	0	110.6	E407 E408 L409 Y436 K457	E407-S447 WeakPolarHBondContact O-CB 3.46Å; E408-S447 WeakPolarHBondContact CA-OG 3.37Å; L409-S447 PolarHBondContact N-OG 3.34Å; L409-S447 VanDerWaalsContact N-OG 3.11Å; Y436-S447 VanDerWaalsContact OH-C 3.25Å; Y436-S447 PolarHBondContact OH-O 3.19Å; S447-K457 PolarHBondContact N-O 3.15Å; S447-K457 PolarHBondContact O-N 3.36Å; S447-K457 WeakPolarHBondContact OG-CB 3.4Å
448	C	95.7	Very high	97.3	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.02	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	179.2	159.6	56.3	0	0	0	0	109.9	Y436 R576	Y436-C448 WeakPolarHBondContact OH-CA 3.39Å; Y436-C448 PolarHBondContact OH-N 3.17Å; C448-R576 PolarHBondContact SG-NH2 3.11Å
449	S	96.9	Very high	97.3	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	144.9	161.4	-178.8	0	0	0	0	110.7	E408 Y415 A451 D452 S455 Y577	E408-S449 WeakPolarHBondContact OE1-CA 3.31Å; E408-S449 WeakPolarHBondContact OE1-CB 3.43Å; E408-S449 PolarHBondContact OE1-OG 3.19Å; Y415-S449 VanDerWaalsContact CD1-CB 3.44Å; S449-A451 PolarHBondContact O-N 3.01Å; S449-A451 PolarHBondContact OG-N 3.18Å; S449-D452 PolarHBondContact O-N 2.91Å; S449-S455 WeakPolarHBondContact CA-OG 3.48Å; S449-S455 PolarHBondContact N-OG 3.03Å; S449-S455 PolarHBondContact O-OG 2.95Å; S449-Y577 PolarHBondContact O-OH 3.12Å
450	H	97	Very high	97.3	Very high	4 Å²	4	35 Å²	35	2%	0.019	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.4	171.8	76.8	-86.6	0	0	0	112	S246 L247 S248 H331 M401 V404 E408	S246-H450 PolarHBondContact O-CE1 3.36Å; S246-H450 VanDerWaalsContact O-CE1 3.27Å; S246-H450 PolarHBondContact O-NE2 3.03Å; L247-H450 WeakPolarHBondContact CA-NE2 3.42Å; L247-H450 HydrophobicContact CD2-CB 4.45Å; S248-H450 PolarHBondContact N-NE2 3.09Å; H331-H450 AromaticContact CE1-CE1 3.96Å; H331-H450 AromaticContact NE2-CE1 3.85Å; H331-H450 AromaticContact NE2-ND1 3.74Å; M401-H450 HydrophobicContact CE-CB 3.99Å; V404-H450 HydrophobicContact CB-CB 4.26Å; V404-H450 VanDerWaalsContact CG1-CA 3.5Å; V404-H450 HydrophobicContact CG1-CB 3.84Å; E408-H450 IonicContact OE1-CE1 3.7Å; E408-H450 IonicContact OE1-CG 2.86Å; E408-H450 PolarHBondContact OE1-N 3.04Å; E408-H450 IonicContact OE1-ND1 3.15Å; E408-H450 PolarHBondContact OE1-ND1 3.39Å
451	A	96.5	Very high	97.2	Very high	15 Å²	15	36.7 Å²	36.7	12%	0.124	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-21.9	-173.2	0	0	0	0	0	114	H219 Y415 S449	H219-A451 HydrophobicContact CB-CB 3.96Å; Y415-A451 HydrophobicContact CE1-CB 3.93Å; S449-A451 PolarHBondContact O-N 3.01Å; S449-A451 PolarHBondContact OG-N 3.18Å
452	D	95.1	Very high	97.1	Very high	46 Å²	46	35 Å²	35	25%	0.246	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	138.6	177.5	-163.1	-59.5	0	0	0	111.6	Y415 I417 S449 N454 S455 Y577	Y415-D452 HydrophobicContact CE2-CB 4.18Å; I417-D452 HydrophobicContact CD1-CB 3.87Å; S449-D452 PolarHBondContact O-N 2.91Å; D452-N454 VanDerWaalsContact C-N 3.31Å; D452-N454 PolarHBondContact O-N 3.13Å; D452-N454 PolarHBondContact OD1-N 3.4Å; D452-S455 VanDerWaalsContact O-CB 3.25Å; D452-S455 WeakPolarHBondContact O-CB 3.16Å; D452-S455 PolarHBondContact O-N 3.15Å; D452-S455 PolarHBondContact O-OG 2.57Å; D452-Y577 PolarHBondContact O-OH 3.3Å
453	K	93.8	Very high	97.1	Very high	135 Å²	135	36.2 Å²	36.2	59%	0.587	19%	0.189	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	-26.1	-179.7	64.4	172.2	-174	179.6	0	114.5	S455 Y577	K453-S455 VanDerWaalsContact C-N 3.32Å; K453-Y577 VanDerWaalsContact CA-CZ 3.49Å; K453-Y577 HydrophobicContact CB-CD1 4.05Å; K453-Y577 HydrophobicContact CB-CD2 3.71Å; K453-Y577 HydrophobicContact CB-CE1 4.17Å; K453-Y577 HydrophobicContact CB-CE2 3.86Å; K453-Y577 HydrophobicContact CB-CG 3.82Å
454	N	95	Very high	97.1	Very high	47 Å²	47	29.1 Å²	29.1	25%	0.251	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	20	-179	-67	-11.9	0	0	0	111	I417 T418 D419 D452	I417-N454 WeakPolarHBondContact CA-O 3.49Å; I417-N454 HydrophobicContact CG2-CB 4.41Å; T418-N454 PolarHBondContact N-O 3.4Å; T418-N454 PolarHBondContact OG1-O 2.81Å; D419-N454 VanDerWaalsContact CG-ND2 3.31Å; D419-N454 PolarHBondContact OD1-ND2 3.01Å; D419-N454 PolarHBondContact OD2-ND2 3.44Å; D452-N454 VanDerWaalsContact C-N 3.31Å; D452-N454 PolarHBondContact O-N 3.13Å; D452-N454 PolarHBondContact OD1-N 3.4Å
455	S	97.1	Very high	97.1	Very high	5 Å²	5	26.1 Å²	26.1	4%	0.035	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	146.1	179.1	58.8	0	0	0	0	112.8	Y416 S449 D452 K453	Y416-S455 CarbonylContact O-C 3.57Å; Y416-S455 VanDerWaalsContact O-CA 3.31Å; Y416-S455 WeakPolarHBondContact O-CA 3.35Å; S449-S455 WeakPolarHBondContact CA-OG 3.48Å; S449-S455 PolarHBondContact N-OG 3.03Å; S449-S455 PolarHBondContact O-OG 2.95Å; D452-S455 VanDerWaalsContact O-CB 3.25Å; D452-S455 WeakPolarHBondContact O-CB 3.16Å; D452-S455 PolarHBondContact O-N 3.15Å; D452-S455 PolarHBondContact O-OG 2.57Å; K453-S455 VanDerWaalsContact C-N 3.32Å
456	L	97.7	Very high	97.1	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	105.9	174.4	-178.8	76.2	0	0	0	109.3	Y415 Y416 T418 L435 Y436 L439 V446 V465	Y415-L456 CarbonylContact C-O 3.47Å; Y415-L456 WeakPolarHBondContact CA-O 3.39Å; Y415-L456 WeakPolarHBondContact CB-O 3.36Å; Y416-L456 PolarHBondContact N-O 2.81Å; Y416-L456 PolarHBondContact O-N 3.44Å; T418-L456 HydrophobicContact CG2-CB 4.13Å; L435-L456 HydrophobicContact CD2-CD1 4.11Å; L435-L456 HydrophobicContact CD2-CD2 3.92Å; L435-L456 HydrophobicContact CG-CD1 4.31Å; L435-L456 HydrophobicContact CG-CD2 4.39Å; Y436-L456 HydrophobicContact CD1-CD1 4.08Å; Y436-L456 HydrophobicContact CE1-CD1 3.67Å; L439-L456 HydrophobicContact CD1-CD1 3.82Å; L439-L456 HydrophobicContact CD1-CD2 4.28Å; L439-L456 HydrophobicContact CD1-CG 4.38Å; V446-L456 HydrophobicContact CG2-CD1 3.5Å; V446-L456 VanDerWaalsContact CG2-CD1 3.5Å; L456-V465 HydrophobicContact CD2-CG1 4.35Å
457	K	98	Very high	97.1	Very high	2 Å²	2	22.4 Å²	22.4	1%	0.009	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	134.5	166.6	-69.8	-169	168.9	-171.4	0	109	E220 E408 L409 V412 V446 S447	E220-K457 VanDerWaalsContact CD-NZ 3.3Å; E220-K457 WeakPolarHBondContact OE1-CE 3.46Å; E220-K457 IonicContact OE1-NZ 3.08Å; E220-K457 PolarHBondContact OE1-NZ 2.9Å; E220-K457 WeakPolarHBondContact OE2-CE 3.41Å; E220-K457 IonicContact OE2-NZ 2.76Å; E220-K457 PolarHBondContact OE2-NZ 3.46Å; E220-K457 VanDerWaalsContact OE2-NZ 3.15Å; E408-K457 IonicContact OE2-NZ 3.61Å; E408-K457 PolarHBondContact OE2-NZ 2.87Å; L409-K457 HydrophobicContact CD1-CB 4.47Å; V412-K457 HydrophobicContact CG1-CB 4.37Å; V446-K457 CarbonylContact C-O 3.59Å; V446-K457 VanDerWaalsContact CA-O 3.26Å; V446-K457 WeakPolarHBondContact CA-O 3.17Å; V446-K457 WeakPolarHBondContact CG2-O 3.32Å; S447-K457 PolarHBondContact N-O 3.15Å; S447-K457 PolarHBondContact O-N 3.36Å; S447-K457 WeakPolarHBondContact OG-CB 3.4Å
458	T	98.4	Very high	97.1	Very high	6 Å²	6	22 Å²	22	4%	0.037	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	152.4	175.9	-176.8	0	0	0	0	110.3	V412 Y416 L439 R445 A460 V465	V412-T458 WeakPolarHBondContact CG1-O 3.11Å; Y416-T458 HydrophobicContact CE2-CG2 4.37Å; L439-T458 HydrophobicContact CD1-CG2 4.44Å; L439-T458 HydrophobicContact CD2-CG2 4.43Å; R445-T458 WeakPolarHBondContact O-CA 3.11Å; R445-T458 VanDerWaalsContact O-CB 3.28Å; R445-T458 WeakPolarHBondContact O-CB 3.47Å; R445-T458 PolarHBondContact O-OG1 3.38Å; T458-A460 VanDerWaalsContact C-N 3.31Å; T458-A460 HydrophobicContact CG2-CB 3.99Å; T458-A460 WeakPolarHBondContact OG1-CB 3.29Å; T458-A460 PolarHBondContact OG1-N 3.09Å; T458-A460 VanDerWaalsContact OG1-N 3.11Å; T458-V465 HydrophobicContact CG2-CG2 3.81Å
459	D	98.1	Very high	97.2	Very high	63 Å²	63	21.9 Å²	21.9	34%	0.337	12%	0.12	S	C	.	.			trans	-89	1.9	168.8	58.2	4.4	0	0	0	112.9	V412 R445	V412-D459 HydrophobicContact CG2-CB 4.16Å; R445-D459 IonicContact CZ-OD2 3.71Å; R445-D459 PolarHBondContact N-OD1 3.2Å; R445-D459 IonicContact NE-OD2 2.69Å; R445-D459 PolarHBondContact NE-OD2 3.11Å; R445-D459 IonicContact NH2-OD2 2.7Å; R445-D459 PolarHBondContact NH2-OD2 2.06Å; R445-D459 PolarHBondContact O-N 3.44Å
460	A	98.3	Very high	97.2	Very high	8 Å²	8	22.3 Å²	22.3	7%	0.066	12%	0.122	C	C	.	.	S	Bend	trans	-61	141.3	172.9	0	0	0	0	0	111.6	L439 Y444 T458 F464 V465	L439-A460 HydrophobicContact CD2-CB 3.68Å; Y444-A460 VanDerWaalsContact CD1-CA 3.41Å; Y444-A460 HydrophobicContact CD1-CB 3.76Å; Y444-A460 HydrophobicContact CD2-CB 3.68Å; Y444-A460 HydrophobicContact CE1-CB 4.16Å; Y444-A460 HydrophobicContact CE2-CB 4.1Å; Y444-A460 HydrophobicContact CG-CB 3.5Å; Y444-A460 VanDerWaalsContact CG-CB 3.5Å; T458-A460 VanDerWaalsContact C-N 3.31Å; T458-A460 HydrophobicContact CG2-CB 3.99Å; T458-A460 WeakPolarHBondContact OG1-CB 3.29Å; T458-A460 PolarHBondContact OG1-N 3.09Å; T458-A460 VanDerWaalsContact OG1-N 3.11Å; A460-F464 HydrophobicContact CB-CB 4.49Å; A460-F464 HydrophobicContact CB-CD1 4.14Å; A460-V465 HydrophobicContact CB-CG2 4.24Å
461	P	97	Very high	97.2	Very high	59 Å²	59	23.2 Å²	23.2	38%	0.383	13%	0.129	S	C	.	.			trans	-61.3	146	171.6	27.7	-33	0	0	0	109.6	Y444 S463 F464 V465	Y444-P461 VanDerWaalsContact CE1-CD 3.46Å; Y444-P461 VanDerWaalsContact CZ-CD 3.44Å; Y444-P461 WeakPolarHBondContact OH-CD 3.39Å; P461-S463 PolarHBondContact O-N 3.1Å; P461-S463 VanDerWaalsContact O-N 3.13Å; P461-F464 HydrophobicContact CG-CB 3.92Å; P461-F464 WeakPolarHBondContact O-CB 3.14Å; P461-F464 PolarHBondContact O-N 3.24Å; P461-V465 PolarHBondContact O-N 2.97Å
462	H	96.9	Very high	97.2	Very high	16 Å²	16	23.2 Å²	23.2	7%	0.074	13%	0.126	C	C	.	.	H	α-helix	trans	-59.2	-32.3	-175.1	-175.3	69.9	0	0	0	112.9	C282 A284 Y416 F464 V465 L466	C282-H462 PolarHBondContact O-CE1 2.89Å; C282-H462 PolarHBondContact O-NE2 3.23Å; A284-H462 WeakPolarHBondContact CA-NE2 3.48Å; A284-H462 WeakPolarHBondContact CB-CD2 3.45Å; A284-H462 PolarHBondContact N-CE1 3.49Å; A284-H462 PolarHBondContact N-NE2 3.07Å; Y416-H462 AromaticContact CE1-CE1 3.73Å; Y416-H462 AromaticContact CE1-ND1 3.3Å; Y416-H462 VanDerWaalsContact CE1-ND1 3.3Å; Y416-H462 WeakPolarHBondContact CE1-ND1 3.26Å; Y416-H462 AromaticContact CZ-ND1 3.39Å; Y416-H462 PolarHBondContact OH-ND1 2.86Å; Y416-H462 VanDerWaalsContact OH-ND1 3.15Å; H462-F464 VanDerWaalsContact C-N 3.28Å; H462-F464 PolarHBondContact O-N 3.16Å; H462-V465 WeakPolarHBondContact O-CB 3.44Å; H462-V465 PolarHBondContact O-N 2.88Å; H462-L466 WeakPolarHBondContact NE2-CD1 3.43Å; H462-L466 WeakPolarHBondContact O-CG 3.4Å; H462-L466 PolarHBondContact O-N 2.88Å
463	S	97	Very high	97.2	Very high	42 Å²	42	21.8 Å²	21.8	29%	0.294	12%	0.119	S	C	.	.	H	α-helix	trans	-54.8	-42.3	172.4	51.6	0	0	0	0	112.5	P461 L466 D467 R470	P461-S463 PolarHBondContact O-N 3.1Å; P461-S463 VanDerWaalsContact O-N 3.13Å; S463-L466 CarbonylContact O-C 3.54Å; S463-L466 WeakPolarHBondContact O-CB 3.44Å; S463-L466 PolarHBondContact O-N 3.43Å; S463-D467 PolarHBondContact O-N 2.62Å; S463-D467 VanDerWaalsContact O-OD2 3.09Å; S463-R470 PolarHBondContact O-NH2 3.16Å
464	F	98.4	Very high	97.2	Very high	1 Å²	1	18.2 Å²	18.2	0%	0.004	11%	0.107	C	C	.	.	H	α-helix	trans	-70.8	-38.1	177.4	-168.9	-93.4	0	0	0	112.1	L439 A442 Y444 A460 P461 H462 L466 D467 C468 N554 S556 V557	L439-F464 HydrophobicContact CD2-CD1 3.93Å; L439-F464 HydrophobicContact CD2-CE1 4.06Å; A442-F464 HydrophobicContact CB-CE1 3.79Å; A442-F464 HydrophobicContact CB-CE2 3.97Å; A442-F464 HydrophobicContact CB-CZ 3.29Å; Y444-F464 AromaticContact CD2-CD1 3.72Å; Y444-F464 HydrophobicContact CD2-CD1 3.72Å; Y444-F464 AromaticContact CD2-CE1 3.78Å; Y444-F464 HydrophobicContact CD2-CE1 3.78Å; Y444-F464 HydrophobicContact CD2-CG 4.32Å; Y444-F464 HydrophobicContact CD2-CZ 4.42Å; Y444-F464 HydrophobicContact CE2-CB 4.33Å; Y444-F464 AromaticContact CE2-CD1 3.55Å; Y444-F464 HydrophobicContact CE2-CD1 3.55Å; Y444-F464 HydrophobicContact CE2-CD2 4.03Å; Y444-F464 AromaticContact CE2-CE1 3.82Å; Y444-F464 HydrophobicContact CE2-CE1 3.82Å; Y444-F464 HydrophobicContact CE2-CE2 4.27Å; Y444-F464 AromaticContact CE2-CG 3.67Å; Y444-F464 HydrophobicContact CE2-CG 3.67Å; Y444-F464 HydrophobicContact CE2-CZ 4.18Å; A460-F464 HydrophobicContact CB-CB 4.49Å; A460-F464 HydrophobicContact CB-CD1 4.14Å; P461-F464 HydrophobicContact CG-CB 3.92Å; P461-F464 WeakPolarHBondContact O-CB 3.14Å; P461-F464 PolarHBondContact O-N 3.24Å; H462-F464 VanDerWaalsContact C-N 3.28Å; H462-F464 PolarHBondContact O-N 3.16Å; F464-L466 VanDerWaalsContact C-N 3.27Å; F464-L466 PolarHBondContact O-N 3.3Å; F464-D467 WeakPolarHBondContact CA-OD2 3.48Å; F464-D467 WeakPolarHBondContact O-CB 3.44Å; F464-D467 PolarHBondContact O-N 2.83Å; F464-D467 VanDerWaalsContact O-N 3.09Å; F464-C468 PolarHBondContact O-N 2.84Å; F464-N554 HydrophobicContact CD2-CB 4.01Å; F464-N554 HydrophobicContact CE2-CB 4.12Å; F464-S556 VanDerWaalsContact CE2-OG 3.27Å; F464-S556 WeakPolarHBondContact CE2-OG 3.43Å; F464-V557 HydrophobicContact CD2-CG2 4.45Å; F464-V557 HydrophobicContact CE2-CG2 3.69Å; F464-V557 HydrophobicContact CZ-CG2 3.83Å
465	V	98.2	Very high	97.1	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.006	11%	0.107	C	C	.	.	H	α-helix	trans	-57.5	-45.3	170.9	178.8	0	0	0	0	110	Y416 L421 L456 T458 A460 P461 H462 D467 C468 F469	Y416-V465 HydrophobicContact CD2-CG1 4.44Å; Y416-V465 HydrophobicContact CE2-CG2 4.13Å; L421-V465 HydrophobicContact CD1-CG1 3.78Å; L456-V465 HydrophobicContact CD2-CG1 4.35Å; T458-V465 HydrophobicContact CG2-CG2 3.81Å; A460-V465 HydrophobicContact CB-CG2 4.24Å; P461-V465 PolarHBondContact O-N 2.97Å; H462-V465 WeakPolarHBondContact O-CB 3.44Å; H462-V465 PolarHBondContact O-N 2.88Å; V465-D467 VanDerWaalsContact C-N 3.33Å; V465-D467 PolarHBondContact O-N 3.44Å; V465-C468 PolarHBondContact O-N 3.28Å; V465-F469 HydrophobicContact CG1-CE2 4.42Å; V465-F469 WeakPolarHBondContact O-CD2 3.31Å; V465-F469 PolarHBondContact O-N 3.35Å
466	L	97.9	Very high	96.9	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.1	-34	175.2	-64.1	172.3	0	0	0	112.6	C282 E314 F425 H462 S463 F464 F469 R470 L548	C282-L466 HydrophobicContact CB-CD1 4.5Å; E314-L466 HydrophobicContact CB-CD1 3.9Å; E314-L466 HydrophobicContact CG-CD1 3.81Å; E314-L466 WeakPolarHBondContact OE2-CD1 3.37Å; F425-L466 HydrophobicContact CE2-CD2 3.71Å; F425-L466 HydrophobicContact CZ-CB 4.13Å; F425-L466 HydrophobicContact CZ-CD2 3.82Å; H462-L466 WeakPolarHBondContact NE2-CD1 3.43Å; H462-L466 WeakPolarHBondContact O-CG 3.4Å; H462-L466 PolarHBondContact O-N 2.88Å; S463-L466 CarbonylContact O-C 3.54Å; S463-L466 WeakPolarHBondContact O-CB 3.44Å; S463-L466 PolarHBondContact O-N 3.43Å; F464-L466 VanDerWaalsContact C-N 3.27Å; F464-L466 PolarHBondContact O-N 3.3Å; L466-F469 PolarHBondContact O-N 2.88Å; L466-R470 WeakPolarHBondContact O-CG 3.31Å; L466-R470 PolarHBondContact O-N 2.76Å; L466-R470 PolarHBondContact O-NE 2.88Å; L466-L548 HydrophobicContact CD1-CD2 3.89Å
467	D	98.1	Very high	96.5	Very high	8 Å²	8	26 Å²	26	4%	0.043	14%	0.137	C	C	.	.	H	α-helix	trans	-61.3	-44.1	173.7	-72.8	-52	0	0	0	111.7	S463 F464 V465 F469 R470 S471 I553 N554 V557	S463-D467 PolarHBondContact O-N 2.62Å; S463-D467 VanDerWaalsContact O-OD2 3.09Å; F464-D467 WeakPolarHBondContact CA-OD2 3.48Å; F464-D467 WeakPolarHBondContact O-CB 3.44Å; F464-D467 PolarHBondContact O-N 2.83Å; F464-D467 VanDerWaalsContact O-N 3.09Å; V465-D467 VanDerWaalsContact C-N 3.33Å; V465-D467 PolarHBondContact O-N 3.44Å; D467-F469 VanDerWaalsContact C-N 3.31Å; D467-F469 PolarHBondContact O-N 2.99Å; D467-R470 PolarHBondContact O-N 3.2Å; D467-R470 IonicContact OD1-CZ 3.08Å; D467-R470 IonicContact OD1-NE 3.77Å; D467-R470 IonicContact OD1-NH1 2.64Å; D467-R470 PolarHBondContact OD1-NH1 2.6Å; D467-R470 IonicContact OD1-NH2 3.77Å; D467-R470 PolarHBondContact OD1-NH2 2.94Å; D467-R470 IonicContact OD2-NH2 3.69Å; D467-S471 WeakPolarHBondContact O-CB 3.41Å; D467-S471 PolarHBondContact O-N 3.2Å; D467-I553 HydrophobicContact CB-CG2 4.32Å; D467-I553 VanDerWaalsContact OD1-CA 3.31Å; D467-I553 WeakPolarHBondContact OD1-CA 3.37Å; D467-N554 HydrophobicContact CB-CB 4.39Å; D467-N554 PolarHBondContact OD1-N 2.87Å; D467-N554 WeakPolarHBondContact OD2-CB 3.4Å; D467-V557 HydrophobicContact CB-CG2 3.75Å
468	C	98.2	Very high	96.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-57.6	-43.5	175.7	-72	0	0	0	0	111.4	L435 C438 F464 V465 H472 F559	L435-C468 HydrophobicContact CD1-CB 3.89Å; C438-C468 HydrophobicContact CB-CB 4.12Å; C438-C468 WeakPolarHBondContact CB-SG 3.43Å; C438-C468 WeakPolarHBondContact SG-CB 3.25Å; C438-C468 CovalentContact SG-SG 2.06Å; C438-C468 PolarHBondContact SG-SG 2.92Å; F464-C468 PolarHBondContact O-N 2.84Å; V465-C468 PolarHBondContact O-N 3.28Å; C468-H472 WeakPolarHBondContact O-CB 3.45Å; C468-H472 PolarHBondContact O-N 3.16Å; C468-F559 WeakPolarHBondContact O-CZ 3.21Å
469	F	97.7	Very high	95.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-71.7	-34.2	178.6	-79.5	-100	0	0	0	113	L421 A422 F425 P430 L435 V465 L466 D467 H472 C473	L421-F469 HydrophobicContact CB-CD1 4.06Å; L421-F469 HydrophobicContact CB-CD2 4.25Å; L421-F469 HydrophobicContact CB-CE1 3.61Å; L421-F469 HydrophobicContact CB-CE2 3.83Å; L421-F469 HydrophobicContact CB-CG 4.36Å; L421-F469 HydrophobicContact CB-CZ 3.48Å; L421-F469 VanDerWaalsContact CB-CZ 3.48Å; L421-F469 HydrophobicContact CD1-CD2 4.32Å; L421-F469 HydrophobicContact CD1-CE2 3.57Å; L421-F469 HydrophobicContact CD1-CZ 3.8Å; L421-F469 HydrophobicContact CG-CE2 4.33Å; L421-F469 HydrophobicContact CG-CZ 4.31Å; A422-F469 HydrophobicContact CB-CD1 4.35Å; A422-F469 HydrophobicContact CB-CE1 4.02Å; F425-F469 HydrophobicContact CD2-CB 3.56Å; F425-F469 HydrophobicContact CD2-CG 4.3Å; F425-F469 HydrophobicContact CE2-CB 3.51Å; F425-F469 HydrophobicContact CE2-CG 4.37Å; F425-F469 HydrophobicContact CG-CB 4.36Å; F425-F469 HydrophobicContact CZ-CB 4.29Å; P430-F469 HydrophobicContact CG-CD1 4.13Å; P430-F469 HydrophobicContact CG-CE1 3.86Å; P430-F469 HydrophobicContact CG-CZ 4.24Å; L435-F469 HydrophobicContact CD1-CE2 3.98Å; L435-F469 HydrophobicContact CD2-CE2 4.09Å; L435-F469 HydrophobicContact CD2-CZ 4.04Å; V465-F469 HydrophobicContact CG1-CE2 4.42Å; V465-F469 WeakPolarHBondContact O-CD2 3.31Å; V465-F469 PolarHBondContact O-N 3.35Å; L466-F469 PolarHBondContact O-N 2.88Å; D467-F469 VanDerWaalsContact C-N 3.31Å; D467-F469 PolarHBondContact O-N 2.99Å; F469-H472 PolarHBondContact O-N 3.33Å; F469-C473 PolarHBondContact O-N 3.24Å; F469-C473 PolarHBondContact O-SG 3.23Å
470	R	96.3	Very high	95.1	Very high	10 Å²	10	38.2 Å²	38.2	4%	0.038	19%	0.193	C	C	.	.	H	α-helix	trans	-62.2	-50.9	172.2	-78.6	177.5	-91.9	161.6	-2.3	111.7	F425 S463 L466 D467 H472 C473 D474 L548 R551 P552 I553	F425-R470 HydrophobicContact CD1-CG 4.23Å; F425-R470 HydrophobicContact CE1-CG 3.43Å; F425-R470 VanDerWaalsContact CE1-CG 3.43Å; F425-R470 HydrophobicContact CZ-CG 3.91Å; S463-R470 PolarHBondContact O-NH2 3.16Å; L466-R470 WeakPolarHBondContact O-CG 3.31Å; L466-R470 PolarHBondContact O-N 2.76Å; L466-R470 PolarHBondContact O-NE 2.88Å; D467-R470 PolarHBondContact O-N 3.2Å; D467-R470 IonicContact OD1-CZ 3.08Å; D467-R470 IonicContact OD1-NE 3.77Å; D467-R470 IonicContact OD1-NH1 2.64Å; D467-R470 PolarHBondContact OD1-NH1 2.6Å; D467-R470 IonicContact OD1-NH2 3.77Å; D467-R470 PolarHBondContact OD1-NH2 2.94Å; D467-R470 IonicContact OD2-NH2 3.69Å; R470-H472 VanDerWaalsContact C-N 3.25Å; R470-H472 PolarHBondContact O-N 2.89Å; R470-C473 WeakPolarHBondContact O-CA 3.32Å; R470-C473 VanDerWaalsContact O-CB 3.27Å; R470-C473 WeakPolarHBondContact O-CB 3.42Å; R470-C473 PolarHBondContact O-N 3.25Å; R470-D474 PolarHBondContact O-N 3.38Å; R470-D474 VanDerWaalsContact O-N 3.08Å; R470-L548 WeakPolarHBondContact CD-O 3.48Å; R470-R551 VanDerWaalsContact NH1-C 3.34Å; R470-R551 PolarHBondContact NH1-O 3.19Å; R470-P552 PolarHBondContact NH1-O 3.18Å; R470-I553 HydrophobicContact CB-CD1 3.97Å; R470-I553 HydrophobicContact CB-CG1 3.96Å
471	S	96.8	Very high	94.6	Very high	23 Å²	23	43.2 Å²	43.2	16%	0.161	22%	0.215	C	C	.	.	H	α-helix	trans	-61.3	-35.8	178.2	-177	0	0	0	0	111.8	D467 D474 R475 F559	D467-S471 WeakPolarHBondContact O-CB 3.41Å; D467-S471 PolarHBondContact O-N 3.2Å; S471-D474 PolarHBondContact O-N 3.42Å; S471-R475 WeakPolarHBondContact O-CG 3.21Å; S471-R475 PolarHBondContact O-N 3.33Å; S471-F559 WeakPolarHBondContact OG-CE2 3.44Å
472	H	96.9	Very high	93.9	Very high	15 Å²	15	48.3 Å²	48.3	7%	0.069	23%	0.227	C	C	.	.	H	α-helix	trans	-63	-40.5	171.4	-179.5	69.8	0	0	0	113.3	T428 P430 C468 F469 R470 D474 R475 I476 F559	T428-H472 PolarHBondContact O-CD2 3.22Å; T428-H472 PolarHBondContact O-NE2 3.36Å; P430-H472 HydrophobicContact CG-CB 4.19Å; C468-H472 WeakPolarHBondContact O-CB 3.45Å; C468-H472 PolarHBondContact O-N 3.16Å; F469-H472 PolarHBondContact O-N 3.33Å; R470-H472 VanDerWaalsContact C-N 3.25Å; R470-H472 PolarHBondContact O-N 2.89Å; H472-D474 VanDerWaalsContact C-N 3.29Å; H472-D474 PolarHBondContact O-N 3.38Å; H472-R475 PolarHBondContact O-N 3.39Å; H472-I476 VanDerWaalsContact NE2-CD1 3.35Å; H472-I476 WeakPolarHBondContact NE2-CD1 3.4Å; H472-I476 WeakPolarHBondContact O-CG1 3.35Å; H472-I476 PolarHBondContact O-N 3.32Å; H472-I476 VanDerWaalsContact O-N 3.1Å; H472-F559 HydrophobicContact CB-CZ 4.16Å
473	C	94.6	Very high	92.6	Very high	15 Å²	15	52 Å²	52	10%	0.101	25%	0.251	C	S	.	.	H	α-helix	trans	-59.6	-42.3	173.6	-64.2	0	0	0	0	111.7	C427 F469 R470 I476 K477	C427-C473 WeakPolarHBondContact CB-SG 3.41Å; C427-C473 VanDerWaalsContact SG-SG 3.63Å; F469-C473 PolarHBondContact O-N 3.24Å; F469-C473 PolarHBondContact O-SG 3.23Å; R470-C473 WeakPolarHBondContact O-CA 3.32Å; R470-C473 VanDerWaalsContact O-CB 3.27Å; R470-C473 WeakPolarHBondContact O-CB 3.42Å; R470-C473 PolarHBondContact O-N 3.25Å; C473-I476 PolarHBondContact O-N 3.45Å; C473-K477 PolarHBondContact O-N 3.38Å
474	D	94	Very high	91.4	Very high	61 Å²	61	57.1 Å²	57.1	33%	0.326	28%	0.276	S	S	.	.	H	α-helix	trans	-68.4	-41.6	180	-66.2	-18.4	0	0	0	111.2	R470 S471 H472 I476 K477 H478 I553	R470-D474 PolarHBondContact O-N 3.38Å; R470-D474 VanDerWaalsContact O-N 3.08Å; S471-D474 PolarHBondContact O-N 3.42Å; H472-D474 VanDerWaalsContact C-N 3.29Å; H472-D474 PolarHBondContact O-N 3.38Å; D474-I476 VanDerWaalsContact C-N 3.32Å; D474-I476 PolarHBondContact O-N 2.99Å; D474-K477 PolarHBondContact O-N 3.47Å; D474-H478 PolarHBondContact O-CD2 3.25Å; D474-H478 PolarHBondContact O-N 2.98Å; D474-I553 VanDerWaalsContact OD2-CD1 3.3Å; D474-I553 WeakPolarHBondContact OD2-CD1 3.3Å
475	R	93.9	Very high	89.3	Confident	71 Å²	71	63.3 Å²	63.3	27%	0.268	31%	0.308	S	S	.	.	H	α-helix	trans	-54.1	-45.6	171.8	-74.7	172.8	68	-152.7	0.2	112	D434 S471 H472 K479 F559	D434-R475 IonicContact OD2-CZ 3.16Å; D434-R475 IonicContact OD2-NH1 2.6Å; D434-R475 PolarHBondContact OD2-NH1 3.21Å; D434-R475 VanDerWaalsContact OD2-NH1 3.08Å; D434-R475 IonicContact OD2-NH2 3.62Å; D434-R475 PolarHBondContact OD2-NH2 2.95Å; S471-R475 WeakPolarHBondContact O-CG 3.21Å; S471-R475 PolarHBondContact O-N 3.33Å; H472-R475 PolarHBondContact O-N 3.39Å; R475-K479 WeakPolarHBondContact O-CG 3.4Å; R475-K479 PolarHBondContact O-N 3.17Å; R475-K479 VanDerWaalsContact O-N 3.1Å; R475-F559 VanDerWaalsContact CD-CD2 3.47Å
476	I	92	Very high	87	Confident	42 Å²	42	69.2 Å²	69.2	22%	0.215	34%	0.336	C	S	.	.	H	α-helix	trans	-65.8	-44.8	178.4	-66.8	161.5	0	0	0	111.1	T428 H472 C473 D474 H478 K479 I480	T428-I476 WeakPolarHBondContact OG1-CD1 3.48Å; H472-I476 VanDerWaalsContact NE2-CD1 3.35Å; H472-I476 WeakPolarHBondContact NE2-CD1 3.4Å; H472-I476 WeakPolarHBondContact O-CG1 3.35Å; H472-I476 PolarHBondContact O-N 3.32Å; H472-I476 VanDerWaalsContact O-N 3.1Å; C473-I476 PolarHBondContact O-N 3.45Å; D474-I476 VanDerWaalsContact C-N 3.32Å; D474-I476 PolarHBondContact O-N 2.99Å; I476-H478 VanDerWaalsContact C-N 3.31Å; I476-H478 PolarHBondContact O-N 2.93Å; I476-K479 PolarHBondContact O-N 3.35Å; I476-I480 HydrophobicContact CG2-CD1 3.9Å; I476-I480 WeakPolarHBondContact O-CG1 3.27Å; I476-I480 PolarHBondContact O-N 3.26Å; I476-I480 VanDerWaalsContact O-N 3.07Å
477	K	90.9	Very high	84.2	Confident	102 Å²	102	74 Å²	74	44%	0.443	37%	0.37	S	S	.	.	H	α-helix	trans	-59.2	-45.3	179.2	-175.6	-178.4	170.4	-171.2	0	110.8	C473 D474 K479 I480 E481	C473-K477 PolarHBondContact O-N 3.38Å; D474-K477 PolarHBondContact O-N 3.47Å; K477-K479 PolarHBondContact O-N 3.23Å; K477-I480 PolarHBondContact O-N 3.08Å; K477-E481 WeakPolarHBondContact CE-OE1 3.4Å; K477-E481 HydrophobicContact CG-CG 4.48Å; K477-E481 IonicContact NZ-OE1 2.81Å; K477-E481 WeakPolarHBondContact O-CG 3.37Å; K477-E481 PolarHBondContact O-N 3.01Å
478	H	89.3	Confident	81.1	Confident	110 Å²	110	81.2 Å²	81.2	51%	0.509	41%	0.408	S	S	.	.	H	α-helix	trans	-61.2	-39.6	175.8	-75.5	-57.6	0	0	0	113	D474 I476 I480 E481 R482	D474-H478 PolarHBondContact O-CD2 3.25Å; D474-H478 PolarHBondContact O-N 2.98Å; I476-H478 VanDerWaalsContact C-N 3.31Å; I476-H478 PolarHBondContact O-N 2.93Å; H478-I480 VanDerWaalsContact C-N 3.32Å; H478-I480 PolarHBondContact O-N 3.15Å; H478-E481 PolarHBondContact O-N 3.04Å; H478-R482 PolarHBondContact O-N 3.43Å
479	K	87.9	Confident	78.2	Confident	93 Å²	93	88.1 Å²	88.1	40%	0.404	45%	0.445	S	S	.	.	H	α-helix	trans	-64.2	-33.9	175.3	-73.5	177.1	-171.4	-107.4	0	113.2	R475 I476 K477 E486	R475-K479 WeakPolarHBondContact O-CG 3.4Å; R475-K479 PolarHBondContact O-N 3.17Å; R475-K479 VanDerWaalsContact O-N 3.1Å; I476-K479 PolarHBondContact O-N 3.35Å; K477-K479 PolarHBondContact O-N 3.23Å; K479-E486 VanDerWaalsContact NZ-CD 3.31Å; K479-E486 IonicContact NZ-OE1 2.94Å; K479-E486 PolarHBondContact NZ-OE1 3.35Å; K479-E486 VanDerWaalsContact NZ-OE1 3.16Å; K479-E486 IonicContact NZ-OE2 2.84Å; K479-E486 PolarHBondContact NZ-OE2 3.1Å
480	I	87.4	Confident	74.9	Confident	125 Å²	125	97.3 Å²	97.3	64%	0.641	49%	0.488	S	S	*	.	H	α-helix	trans	-74.9	-39.9	177	-65.4	168.4	0	0	0	111	I476 K477 H478	I476-I480 HydrophobicContact CG2-CD1 3.9Å; I476-I480 WeakPolarHBondContact O-CG1 3.27Å; I476-I480 PolarHBondContact O-N 3.26Å; I476-I480 VanDerWaalsContact O-N 3.07Å; K477-I480 PolarHBondContact O-N 3.08Å; H478-I480 VanDerWaalsContact C-N 3.32Å; H478-I480 PolarHBondContact O-N 3.15Å
481	E	87.9	Confident	71.7	Confident	114 Å²	114	100.1 Å²	100.1	53%	0.533	52%	0.519	S	S	.	.	H	α-helix	trans	-79.6	-23.6	-177.7	-70	175.7	172.8	0	0	113.2	K477 H478	K477-E481 WeakPolarHBondContact CE-OE1 3.4Å; K477-E481 HydrophobicContact CG-CG 4.48Å; K477-E481 IonicContact NZ-OE1 2.81Å; K477-E481 WeakPolarHBondContact O-CG 3.37Å; K477-E481 PolarHBondContact O-N 3.01Å; H478-E481 PolarHBondContact O-N 3.04Å
482	R	81.4	Confident	68.4	Low	166 Å²	166	106.4 Å²	106.4	63%	0.626	55%	0.551	S	S	*	*			trans	-141	74.6	-176.5	-62.8	-176.2	179.9	-171.6	-1.5	111.7	H478 D484	H478-R482 PolarHBondContact O-N 3.43Å; R482-D484 VanDerWaalsContact C-N 3.28Å; R482-D484 PolarHBondContact O-N 2.96Å
483	P	70.7	Confident	65.1	Low	92 Å²	92	110.3 Å²	110.3	60%	0.597	58%	0.58	S	S	*	*	G	3₁₀ helix	trans	-65.4	-28.6	179.7	23.9	-31.5	0	0	0	113.6	L485	P483-L485 PolarHBondContact O-N 3.02Å
484	D	71.6	Confident	61.9	Low	151 Å²	151	117.8 Å²	117.8	81%	0.807	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-86.1	5.9	-165.7	-50.8	-40.6	0	0	0	115.8	R482	R482-D484 VanDerWaalsContact C-N 3.28Å; R482-D484 PolarHBondContact O-N 2.96Å
485	L	54.5	Low	58.6	Low	130 Å²	130	121 Å²	121	68%	0.681	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-114.1	2.6	-170.7	-76.9	168.7	0	0	0	116.3	P483	P483-L485 PolarHBondContact O-N 3.02Å
486	E	48.2	Very low	55.4	Low	126 Å²	126	127.3 Å²	127.3	59%	0.589	67%	0.668	S	S	*	*			trans	-103.3	90.3	165.6	-81.6	-177.8	179.8	0	0	110	K479	K479-E486 VanDerWaalsContact NZ-CD 3.31Å; K479-E486 IonicContact NZ-OE1 2.94Å; K479-E486 PolarHBondContact NZ-OE1 3.35Å; K479-E486 VanDerWaalsContact NZ-OE1 3.16Å; K479-E486 IonicContact NZ-OE2 2.84Å; K479-E486 PolarHBondContact NZ-OE2 3.1Å
487	S	40.6	Very low	52.4	Low	101 Å²	101	131.2 Å²	131.2	71%	0.706	69%	0.688	S	S	*	*			trans	-102.5	132.1	153.5	50.9	0	0	0	0	107.4
488	N	32.4	Very low	49.3	Very low	158 Å²	158	133.8 Å²	133.8	85%	0.845	71%	0.707	S	S	*	*			trans	90.9	45.6	176	-50.1	-22.4	0	0	0	118.8
489	D	37.3	Very low	46.7	Very low	146 Å²	146	133.1 Å²	133.1	78%	0.781	71%	0.71	S	S	*	*			trans	-115.7	108.8	153.7	-134.9	0.5	0	0	0	109.1
490	E	29.3	Very low	43.8	Very low	193 Å²	193	133.1 Å²	133.1	90%	0.902	73%	0.728	S	S	*	*			trans	-66.7	130.9	-173.2	-65.4	-177.1	153.2	0	0	112
491	G	28.2	Very low	41	Very low	68 Å²	68	132 Å²	132	70%	0.701	73%	0.731	S	S	*	*	S	Bend	trans	83.3	76.8	148.3	0	0	0	0	0	118.3
492	N	27.3	Very low	38	Very low	156 Å²	156	135.5 Å²	135.5	83%	0.834	75%	0.745	S	S	*	*				173.3	123.8	110.8	-102.4	-18.1	0	0	0	110.3
493	S	27.7	Very low	35.6	Very low	96 Å²	96	133.9 Å²	133.9	67%	0.671	75%	0.753	S	S	*	*			trans	-69.4	162.2	-179.4	56.3	0	0	0	0	113.5
494	E	26.6	Very low	33.8	Very low	172 Å²	172	133.4 Å²	133.4	80%	0.804	75%	0.752	S	S	*	*			trans	78.5	87.6	156.7	-67.1	167.7	-144.5	0	0	118.3
495	T	26.3	Very low	31.9	Very low	129 Å²	129	131.3 Å²	131.3	79%	0.791	74%	0.744	S	S	*	*				-163.3	104.1	122.5	8.1	0	0	0	0	109.5	I497	T495-I497 PolarHBondContact O-N 3.38Å; T495-I497 VanDerWaalsContact O-N 3.16Å
496	E	25.6	Very low	30.7	Very low	203 Å²	203	135.8 Å²	135.8	95%	0.949	75%	0.752	S	S	*	*			trans	-63.2	109.3	167.2	-73.5	-178.7	154.5	0	0	109.3
497	I	30.1	Very low	30	Very low	124 Å²	124	134 Å²	134	64%	0.636	75%	0.753	S	S	*	*			trans	-99.8	100.1	176.6	-46.7	-175.9	0	0	0	109.5	T495 V499	T495-I497 PolarHBondContact O-N 3.38Å; T495-I497 VanDerWaalsContact O-N 3.16Å; I497-V499 HydrophobicContact CB-CG2 4.07Å; I497-V499 HydrophobicContact CG2-CG2 3.23Å; I497-V499 PolarHBondContact O-N 3.39Å
498	N	24.3	Very low	29.6	Very low	157 Å²	157	138.8 Å²	138.8	84%	0.84	76%	0.756	S	S	*	*			trans	-70.4	84.4	167.2	-118.7	-38.7	0	0	0	110.1
499	V	34.5	Very low	29.6	Very low	95 Å²	95	142.2 Å²	142.2	58%	0.576	76%	0.757	S	S	*	*			trans	-91.5	-15.5	-178.6	-173.2	0	0	0	0	113.7	I497 S501	I497-V499 HydrophobicContact CB-CG2 4.07Å; I497-V499 HydrophobicContact CG2-CG2 3.23Å; I497-V499 PolarHBondContact O-N 3.39Å; V499-S501 VanDerWaalsContact C-N 3.34Å; V499-S501 PolarHBondContact O-N 3.19Å
500	A	28.3	Very low	29.3	Very low	94 Å²	94	146 Å²	146	78%	0.777	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	-16.7	-167.2	0	0	0	0	0	116
501	S	28.1	Very low	29.5	Very low	102 Å²	102	141.4 Å²	141.4	71%	0.713	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.7	10.8	-163.6	-53.5	0	0	0	0	117.8	V499	V499-S501 VanDerWaalsContact C-N 3.34Å; V499-S501 PolarHBondContact O-N 3.19Å
502	K	24.9	Very low	29.8	Very low	186 Å²	186	149 Å²	149	81%	0.809	76%	0.757	S	S	*	*			trans	-112.6	12.1	-178.7	-81.9	-176.9	179.9	170.6	0	116.9	S504	K502-S504 PolarHBondContact O-N 3.1Å
503	V	31.3	Very low	30	Very low	132 Å²	132	152.7 Å²	152.7	80%	0.8	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.4	-15.6	-179.9	-178.6	0	0	0	0	113.6
504	S	32.8	Very low	30.1	Very low	83 Å²	83	157.5 Å²	157.5	58%	0.58	77%	0.768	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	-11.2	-173.9	80.5	0	0	0	0	117.1	K502 S507	K502-S504 PolarHBondContact O-N 3.1Å; S504-S507 PolarHBondContact O-OG 3.43Å
505	V	32.2	Very low	30.2	Very low	106 Å²	106	156.9 Å²	156.9	64%	0.642	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96	-25.7	-173.2	-175.3	0	0	0	0	113.4	S507 R508	V505-S507 PolarHBondContact O-N 2.91Å; V505-R508 PolarHBondContact O-N 3.34Å
506	R	28.1	Very low	30.2	Very low	225 Å²	225	159.8 Å²	159.8	85%	0.849	77%	0.769	S	S	*	*	H	α-helix	trans	-76.7	-22.6	-173.1	-129.1	171.5	-176.1	156.8	-0.4	113.8	R508	R506-R508 VanDerWaalsContact C-N 3.33Å; R506-R508 PolarHBondContact O-N 3.44Å
507	S	33.8	Very low	30.5	Very low	87 Å²	87	154.8 Å²	154.8	61%	0.608	76%	0.762	S	S	*	*	H	α-helix	trans	-68.4	-27.2	176.4	45.5	0	0	0	0	113.2	S504 V505	S504-S507 PolarHBondContact O-OG 3.43Å; V505-S507 PolarHBondContact O-N 2.91Å
508	R	32.8	Very low	30.3	Very low	203 Å²	203	157 Å²	157	77%	0.766	78%	0.775	S	S	*	*	H	α-helix	trans	-75.5	-25.5	-179.5	-76.5	-178.3	172.7	143	-2.4	114.8	V505 R506	V505-R508 PolarHBondContact O-N 3.34Å; R506-R508 VanDerWaalsContact C-N 3.33Å; R506-R508 PolarHBondContact O-N 3.44Å
509	R	31.4	Very low	30.5	Very low	230 Å²	230	152.8 Å²	152.8	87%	0.868	77%	0.77	S	S	*	*	H	α-helix	trans	-80.1	-22.1	-177.3	-96	-178.4	174.8	160.2	-1.2	114.7
510	R	32.4	Very low	29.9	Very low	225 Å²	225	155.4 Å²	155.4	85%	0.849	78%	0.78	S	S	*	*	H	α-helix	trans	-80.6	-24.4	177.8	-94.5	-178.7	171.6	170.2	-2.8	113.7	R512	R510-R512 VanDerWaalsContact C-N 3.31Å; R510-R512 PolarHBondContact O-N 3.19Å
511	S	33.7	Very low	29.8	Very low	96 Å²	96	158.7 Å²	158.7	67%	0.671	78%	0.784	S	S	*	*	G	3₁₀ helix	trans	-71.7	-20.3	-178.2	-162.9	0	0	0	0	114.4
512	R	32.7	Very low	29.4	Very low	229 Å²	229	162.7 Å²	162.7	86%	0.864	79%	0.792	S	S	*	*	G	3₁₀ helix	trans	-88.7	-7.2	-176.3	-85.9	-174	168.9	168.7	-2.6	115.5	R510	R510-R512 VanDerWaalsContact C-N 3.31Å; R510-R512 PolarHBondContact O-N 3.19Å
513	R	31.7	Very low	29.5	Very low	232 Å²	232	161 Å²	161	88%	0.875	79%	0.79	S	S	*	*	G	3₁₀ helix	trans	-106.8	8.2	-174	-143.9	176.6	-178.7	167.8	0.4	114.5
514	K	31.5	Very low	29.2	Very low	197 Å²	197	159.9 Å²	159.9	86%	0.857	79%	0.788	S	S	*	*	S	Bend	trans	-112.4	7	-178.7	-134	-174	-178.6	-168.5	0	114.4
515	Q	27.5	Very low	28.8	Very low	159 Å²	159	160.5 Å²	160.5	74%	0.743	79%	0.792	S	S	*	*	S	Bend	trans	-98.2	131.3	160.1	-68.4	177.1	-11.5	0	0	105.7
516	H	27.2	Very low	28.4	Very low	191 Å²	191	162.8 Å²	162.8	88%	0.884	80%	0.801	S	S	*	*	S	Bend	trans	89.6	68.9	-167	-53.1	-71.5	0	0	0	115.5
517	A	32.2	Very low	28.3	Very low	97 Å²	97	161.1 Å²	161.1	80%	0.802	81%	0.805	S	S	*	*			trans	-164	62.4	140.3	0	0	0	0	0	108.6
518	D	25.2	Very low	27.8	Very low	170 Å²	170	166.5 Å²	166.5	91%	0.909	82%	0.82	S	S	*	*			trans	-84.2	114.2	163.3	-74.3	-32.4	0	0	0	107.2
519	G	27.2	Very low	27.7	Very low	70 Å²	70	165.9 Å²	165.9	72%	0.722	83%	0.826	S	S	*	*			trans	-159.3	88.7	-179.5	0	0	0	0	0	108.1
520	N	23	Very low	27.4	Very low	149 Å²	149	161.2 Å²	161.2	80%	0.797	82%	0.823	S	S	*	*			trans	-44.2	130.5	-176.2	-65.1	-15.6	0	0	0	113.6
521	L	25.5	Very low	27.2	Very low	163 Å²	163	158.3 Å²	158.3	85%	0.853	83%	0.825	S	S	*	*			trans	-142.1	110.5	147.9	-139.3	90.4	0	0	0	108.1
522	E	20.4	Very low	27.3	Very low	187 Å²	187	161.6 Å²	161.6	87%	0.874	83%	0.833	S	S	*	*			trans	-72.7	120.5	177.1	-66.7	172.2	165.9	0	0	109.5
523	I	26.5	Very low	27.4	Very low	150 Å²	150	159 Å²	159	77%	0.769	83%	0.83	S	S	*	*			trans	-133.4	127.6	156.5	-62.2	-178.2	0	0	0	106.9
524	S	25.4	Very low	27.6	Very low	108 Å²	108	153 Å²	153	76%	0.755	82%	0.824	S	S	*	*			trans	-57.1	143.1	-171.4	50.3	0	0	0	0	114.3
525	S	23.2	Very low	28.3	Very low	97 Å²	97	151.7 Å²	151.7	68%	0.678	83%	0.827	S	S	*	*			trans	-49.5	139.5	161.7	50.8	0	0	0	0	112
526	D	24.1	Very low	29.7	Very low	153 Å²	153	148.5 Å²	148.5	82%	0.818	82%	0.822	S	S	*	*			trans	173	86.7	133.5	-80	-12.6	0	0	0	108.4
527	M	27	Very low	31.7	Very low	190 Å²	190	148 Å²	148	94%	0.936	83%	0.826	S	S	*	*			trans	-157.9	106.4	155.3	-111	-177.8	-151	0	0	108.3	E529	M527-E529 PolarHBondContact O-N 3.1Å; M527-E529 VanDerWaalsContact O-N 3.12Å
528	E	23.2	Very low	34.1	Very low	201 Å²	201	145.9 Å²	145.9	94%	0.939	80%	0.803	S	S	*	*			trans	-62.6	103.5	173.6	-71.2	175.6	139.9	0	0	109.8	T530	E528-T530 PolarHBondContact O-N 2.87Å
529	E	30.4	Very low	37.2	Very low	190 Å²	190	140.6 Å²	140.6	89%	0.888	78%	0.779	S	S	*	*			trans	-80	112.8	162	-98.6	-178.1	165.3	0	0	108.6	M527 N531	M527-E529 PolarHBondContact O-N 3.1Å; M527-E529 VanDerWaalsContact O-N 3.12Å; E529-N531 PolarHBondContact O-N 3.44Å
530	T	26.3	Very low	40.2	Very low	131 Å²	131	142.8 Å²	142.8	80%	0.804	77%	0.771	S	S	*	*			trans	-53.1	126	173.3	43	0	0	0	0	112	E528 I532	E528-T530 PolarHBondContact O-N 2.87Å; T530-I532 PolarHBondContact O-N 3.37Å; T530-I532 VanDerWaalsContact O-N 3.17Å
531	N	26.5	Very low	43.5	Very low	164 Å²	164	138.8 Å²	138.8	88%	0.877	75%	0.754	S	S	*	*			trans	-43.2	108.3	173.7	-74.8	-46.8	0	0	0	113.4	E529	E529-N531 PolarHBondContact O-N 3.44Å
532	I	37.6	Very low	46.7	Very low	165 Å²	165	135.2 Å²	135.2	85%	0.846	73%	0.733	S	S	*	*			trans	-103.6	113.8	151.3	-62.9	177.1	0	0	0	106.4	T530 S534	T530-I532 PolarHBondContact O-N 3.37Å; T530-I532 VanDerWaalsContact O-N 3.17Å; I532-S534 PolarHBondContact O-N 3.07Å
533	E	34.3	Very low	50.2	Low	174 Å²	174	129.8 Å²	129.8	81%	0.813	71%	0.713	S	S	*	*			trans	-51.9	121.8	177.9	-67.3	176.5	151.3	0	0	112.4
534	S	35.9	Very low	53.5	Low	107 Å²	107	122.9 Å²	122.9	75%	0.748	68%	0.678	S	S	*	*	S	Bend	trans	38.2	130.8	135.7	48.9	0	0	0	0	121.8	I532	I532-S534 PolarHBondContact O-N 3.07Å
535	N	45.4	Very low	56.9	Low	169 Å²	169	121 Å²	121	90%	0.904	65%	0.654	S	S	*	*			trans	83.7	63.6	161.4	-75.4	-11.4	0	0	0	119.6
536	S	56.3	Low	60.3	Low	92 Å²	92	121.1 Å²	121.1	64%	0.643	65%	0.646	S	S	*	*			trans	-152	114.1	139.4	79.2	0	0	0	0	111.8	V538	S536-V538 PolarHBondContact O-N 3.44Å
537	N	69.6	Low	63.6	Low	180 Å²	180	119 Å²	119	96%	0.963	63%	0.627	S	S	*	*			trans	-72.9	42.7	169.4	-85.1	-27.2	0	0	0	111.1
538	V	82.6	Confident	66.9	Low	54 Å²	54	110 Å²	110	33%	0.327	58%	0.582	S	S	.	*			trans	-89.5	117.3	-176	179.1	0	0	0	0	107.7	S536 Q542 T543 I546	S536-V538 PolarHBondContact O-N 3.44Å; V538-Q542 HydrophobicContact CG1-CB 3.41Å; V538-Q542 VanDerWaalsContact CG1-CB 3.41Å; V538-T543 WeakPolarHBondContact CG1-OG1 3.36Å; V538-I546 HydrophobicContact CG1-CD1 4.36Å
539	S	90.4	Very high	70.2	Confident	59 Å²	59	106.9 Å²	106.9	41%	0.413	56%	0.562	S	S	.	*			trans	-61.6	152	175.8	64.6	0	0	0	0	111.1	S541 Q542 T543	S539-S541 PolarHBondContact O-N 3.37Å; S539-S541 VanDerWaalsContact O-N 3.07Å; S539-Q542 WeakPolarHBondContact O-CA 3.31Å; S539-Q542 WeakPolarHBondContact O-CB 3.4Å; S539-Q542 PolarHBondContact O-N 3.33Å; S539-Q542 WeakPolarHBondContact OG-CG 3.43Å; S539-Q542 PolarHBondContact OG-N 3.08Å; S539-Q542 PolarHBondContact OG-OE1 2.64Å; S539-T543 PolarHBondContact O-N 3.19Å; S539-T543 PolarHBondContact O-OG1 3.45Å
540	H	90.7	Very high	73.1	Confident	116 Å²	116	102.9 Å²	102.9	54%	0.537	55%	0.551	S	S	.	*	H	α-helix	trans	-49.1	-40.4	176.4	-177.3	72.1	0	0	0	113	S317 Q542 T543 V544	S317-H540 PolarHBondContact OG-CE1 3.41Å; S317-H540 PolarHBondContact OG-NE2 3.04Å; H540-Q542 PolarHBondContact O-N 3.38Å; H540-T543 PolarHBondContact O-N 3.49Å; H540-V544 WeakPolarHBondContact O-CG2 3.45Å; H540-V544 PolarHBondContact O-N 2.85Å
541	S	92.1	Very high	76.2	Confident	65 Å²	65	100.5 Å²	100.5	46%	0.455	53%	0.527	S	S	.	.	H	α-helix	trans	-64	-36.7	177.3	176.3	0	0	0	0	113.1	S539 R545	S539-S541 PolarHBondContact O-N 3.37Å; S539-S541 VanDerWaalsContact O-N 3.07Å; S541-R545 WeakPolarHBondContact O-CB 3.09Å; S541-R545 PolarHBondContact O-N 2.99Å
542	Q	93.4	Very high	79.3	Confident	87 Å²	87	98.3 Å²	98.3	41%	0.407	52%	0.522	S	S	.	.	H	α-helix	trans	-70.1	-40.9	174.6	-73.4	165.2	-52	0	0	111.2	V538 S539 H540 V544 R545 I546	V538-Q542 HydrophobicContact CG1-CB 3.41Å; V538-Q542 VanDerWaalsContact CG1-CB 3.41Å; S539-Q542 WeakPolarHBondContact O-CA 3.31Å; S539-Q542 WeakPolarHBondContact O-CB 3.4Å; S539-Q542 PolarHBondContact O-N 3.33Å; S539-Q542 WeakPolarHBondContact OG-CG 3.43Å; S539-Q542 PolarHBondContact OG-N 3.08Å; S539-Q542 PolarHBondContact OG-OE1 2.64Å; H540-Q542 PolarHBondContact O-N 3.38Å; Q542-V544 PolarHBondContact O-N 2.81Å; Q542-R545 PolarHBondContact O-N 3.46Å; Q542-I546 VanDerWaalsContact O-CG1 3.27Å; Q542-I546 WeakPolarHBondContact O-CG1 3.41Å; Q542-I546 PolarHBondContact O-N 3.38Å
543	T	94	Very high	82.1	Confident	74 Å²	74	93.2 Å²	93.2	45%	0.454	50%	0.495	S	S	.	.	H	α-helix	trans	-59.3	-46.9	175.2	-53.1	0	0	0	0	111.4	V538 S539 H540 R545 I546 R547	V538-T543 WeakPolarHBondContact CG1-OG1 3.36Å; S539-T543 PolarHBondContact O-N 3.19Å; S539-T543 PolarHBondContact O-OG1 3.45Å; H540-T543 PolarHBondContact O-N 3.49Å; T543-R545 PolarHBondContact O-N 3.28Å; T543-I546 PolarHBondContact O-N 2.91Å; T543-R547 WeakPolarHBondContact O-CB 3.3Å; T543-R547 PolarHBondContact O-N 3.4Å
544	V	95.7	Very high	85.1	Confident	4 Å²	4	87.6 Å²	87.6	2%	0.024	47%	0.471	C	S	.	.	H	α-helix	trans	-56.4	-50.8	173.8	164.7	0	0	0	0	110.5	C315 V424 H540 Q542 I546 R547 L548	C315-V544 HydrophobicContact CB-CB 4.33Å; C315-V544 HydrophobicContact CB-CG1 3.78Å; C315-V544 HydrophobicContact CB-CG2 4.11Å; V424-V544 HydrophobicContact CG1-CG1 4.41Å; H540-V544 WeakPolarHBondContact O-CG2 3.45Å; H540-V544 PolarHBondContact O-N 2.85Å; Q542-V544 PolarHBondContact O-N 2.81Å; V544-I546 PolarHBondContact O-N 3.44Å; V544-R547 PolarHBondContact O-N 2.83Å; V544-L548 HydrophobicContact CG1-CD1 3.87Å; V544-L548 HydrophobicContact CG1-CG 4.34Å; V544-L548 VanDerWaalsContact O-CG 3.3Å; V544-L548 WeakPolarHBondContact O-CG 3.32Å; V544-L548 PolarHBondContact O-N 3.12Å
545	R	95.7	Very high	87.9	Confident	68 Å²	68	88.7 Å²	88.7	26%	0.257	48%	0.476	S	S	.	.	H	α-helix	trans	-60.5	-44	-179	-176.7	178.9	-66.1	143.5	-3.2	112.6	S423 V424 F425 S541 Q542 T543 L548 R549	S423-R545 PolarHBondContact O-NH2 2.88Å; V424-R545 PolarHBondContact O-NE 3.47Å; V424-R545 PolarHBondContact O-NH2 3.37Å; F425-R545 VanDerWaalsContact C-NE 3.28Å; F425-R545 VanDerWaalsContact O-CD 3.29Å; F425-R545 WeakPolarHBondContact O-CD 3.35Å; F425-R545 PolarHBondContact O-NE 3.34Å; S541-R545 WeakPolarHBondContact O-CB 3.09Å; S541-R545 PolarHBondContact O-N 2.99Å; Q542-R545 PolarHBondContact O-N 3.46Å; T543-R545 PolarHBondContact O-N 3.28Å; R545-L548 PolarHBondContact O-N 3.25Å; R545-R549 WeakPolarHBondContact O-CG 3.48Å; R545-R549 PolarHBondContact O-N 3.46Å
546	I	94.1	Very high	90.3	Very high	101 Å²	101	83.1 Å²	83.1	52%	0.518	45%	0.45	S	S	.	.	H	α-helix	trans	-59.4	-51	177.7	-70	163.5	0	0	0	109.4	V538 Q542 T543 V544 L548 R549 T550	V538-I546 HydrophobicContact CG1-CD1 4.36Å; Q542-I546 VanDerWaalsContact O-CG1 3.27Å; Q542-I546 WeakPolarHBondContact O-CG1 3.41Å; Q542-I546 PolarHBondContact O-N 3.38Å; T543-I546 PolarHBondContact O-N 2.91Å; V544-I546 PolarHBondContact O-N 3.44Å; I546-L548 VanDerWaalsContact C-N 3.31Å; I546-L548 PolarHBondContact O-N 3.2Å; I546-R549 PolarHBondContact O-N 3.13Å; I546-T550 WeakPolarHBondContact O-CG2 3.5Å; I546-T550 PolarHBondContact O-N 3.47Å; I546-T550 VanDerWaalsContact O-N 3.16Å; I546-T550 PolarHBondContact O-OG1 2.82Å
547	R	94.6	Very high	92.3	Very high	108 Å²	108	79.8 Å²	79.8	41%	0.408	43%	0.425	S	S	.	.	H	α-helix	trans	-60.9	-37.7	-179.8	-178.7	170	171.9	161.9	5.2	113.3	C315 T543 V544 T550	C315-R547 WeakPolarHBondContact O-CD 3.34Å; T543-R547 WeakPolarHBondContact O-CB 3.3Å; T543-R547 PolarHBondContact O-N 3.4Å; V544-R547 PolarHBondContact O-N 2.83Å; R547-T550 PolarHBondContact O-OG1 3.02Å
548	L	95.7	Very high	93.7	Very high	1 Å²	1	73 Å²	73	1%	0.005	39%	0.393	C	S	.	.	H	α-helix	trans	-68	-42.6	176.6	-69.3	178.1	0	0	0	111.4	C282 E314 C315 V424 F425 L466 R470 V544 R545 I546 T550 R551	C282-L548 HydrophobicContact CB-CD1 3.93Å; C282-L548 HydrophobicContact CB-CD2 4.27Å; E314-L548 HydrophobicContact CB-CD2 4.07Å; C315-L548 HydrophobicContact CB-CD2 4.16Å; C315-L548 HydrophobicContact CB-CG 4.35Å; V424-L548 HydrophobicContact CG1-CD1 3.34Å; F425-L548 HydrophobicContact CE1-CB 3.8Å; F425-L548 HydrophobicContact CE1-CD1 4.46Å; F425-L548 HydrophobicContact CZ-CB 4.19Å; F425-L548 HydrophobicContact CZ-CD1 4.25Å; L466-L548 HydrophobicContact CD1-CD2 3.89Å; R470-L548 WeakPolarHBondContact CD-O 3.48Å; V544-L548 HydrophobicContact CG1-CD1 3.87Å; V544-L548 HydrophobicContact CG1-CG 4.34Å; V544-L548 VanDerWaalsContact O-CG 3.3Å; V544-L548 WeakPolarHBondContact O-CG 3.32Å; V544-L548 PolarHBondContact O-N 3.12Å; R545-L548 PolarHBondContact O-N 3.25Å; I546-L548 VanDerWaalsContact C-N 3.31Å; I546-L548 PolarHBondContact O-N 3.2Å; L548-T550 VanDerWaalsContact C-N 3.32Å; L548-T550 PolarHBondContact O-N 3.35Å; L548-R551 PolarHBondContact O-N 2.84Å
549	R	93.5	Very high	94.4	Very high	135 Å²	135	71.9 Å²	71.9	51%	0.509	38%	0.383	S	S	.	.	H	α-helix	trans	-70.1	-22.5	-178.6	-71.7	-174.7	74.4	178.4	6	114.4	F425 R545 I546 R551	F425-R549 HydrophobicContact CD1-CG 4.22Å; R545-R549 WeakPolarHBondContact O-CG 3.48Å; R545-R549 PolarHBondContact O-N 3.46Å; I546-R549 PolarHBondContact O-N 3.13Å; R549-R551 VanDerWaalsContact C-N 3.33Å
550	T	91	Very high	94.7	Very high	106 Å²	106	73.9 Å²	73.9	65%	0.65	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-9.7	179.6	54.4	0	0	0	0	113.9	I546 R547 L548	I546-T550 WeakPolarHBondContact O-CG2 3.5Å; I546-T550 PolarHBondContact O-N 3.47Å; I546-T550 VanDerWaalsContact O-N 3.16Å; I546-T550 PolarHBondContact O-OG1 2.82Å; R547-T550 PolarHBondContact O-OG1 3.02Å; L548-T550 VanDerWaalsContact C-N 3.32Å; L548-T550 PolarHBondContact O-N 3.35Å
551	R	90.7	Very high	95	Very high	81 Å²	81	74.3 Å²	74.3	31%	0.306	39%	0.39	S	S	.	.	S	Bend	trans	-76.1	139.9	178.9	-75.4	-172.2	150.4	-156	-10.3	111.7	I313 E314 R470 L548 R549	I313-R551 PolarHBondContact O-NH2 3.33Å; E314-R551 IonicContact OE1-NH1 3.21Å; E314-R551 PolarHBondContact OE1-NH1 2.97Å; E314-R551 VanDerWaalsContact OE1-NH1 3.08Å; E314-R551 IonicContact OE2-CZ 2.61Å; E314-R551 IonicContact OE2-NH1 2.68Å; E314-R551 PolarHBondContact OE2-NH1 3.18Å; R470-R551 VanDerWaalsContact NH1-C 3.34Å; R470-R551 PolarHBondContact NH1-O 3.19Å; L548-R551 PolarHBondContact O-N 2.84Å; R549-R551 VanDerWaalsContact C-N 3.33Å
552	P	92.3	Very high	95.3	Very high	118 Å²	118	73.2 Å²	73.2	77%	0.766	38%	0.378	S	S	*	.	P	Polyproline II helix	trans	-62.1	142.5	175.9	27.6	-34.7	0	0	0	110.9	R470	R470-P552 PolarHBondContact NH1-O 3.18Å
553	I	95.8	Very high	95.4	Very high	58 Å²	58	74.8 Å²	74.8	30%	0.297	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-80.5	134.2	177.5	-63.5	173	0	0	0	108.8	D467 R470 D474 V557	D467-I553 HydrophobicContact CB-CG2 4.32Å; D467-I553 VanDerWaalsContact OD1-CA 3.31Å; D467-I553 WeakPolarHBondContact OD1-CA 3.37Å; R470-I553 HydrophobicContact CB-CD1 3.97Å; R470-I553 HydrophobicContact CB-CG1 3.96Å; D474-I553 VanDerWaalsContact OD2-CD1 3.3Å; D474-I553 WeakPolarHBondContact OD2-CD1 3.3Å; I553-V557 HydrophobicContact CG2-CB 4.16Å; I553-V557 HydrophobicContact CG2-CG2 4.04Å
554	N	96.5	Very high	95.4	Very high	57 Å²	57	74.9 Å²	74.9	31%	0.305	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-58.7	127.1	173	-173.1	-40.9	0	0	0	110.9	F464 D467 S556 V557	F464-N554 HydrophobicContact CD2-CB 4.01Å; F464-N554 HydrophobicContact CE2-CB 4.12Å; D467-N554 HydrophobicContact CB-CB 4.39Å; D467-N554 PolarHBondContact OD1-N 2.87Å; D467-N554 WeakPolarHBondContact OD2-CB 3.4Å; N554-S556 PolarHBondContact O-N 2.9Å; N554-S556 VanDerWaalsContact O-N 3.12Å; N554-S556 PolarHBondContact OD1-N 3.41Å; N554-S556 PolarHBondContact OD1-OG 3.26Å; N554-V557 HydrophobicContact CB-CG2 4.43Å; N554-V557 WeakPolarHBondContact O-CB 3.41Å; N554-V557 WeakPolarHBondContact O-CG2 3.29Å; N554-V557 PolarHBondContact O-N 2.97Å; N554-V557 VanDerWaalsContact O-N 3.11Å
555	P	95.9	Very high	95.4	Very high	130 Å²	130	74.7 Å²	74.7	84%	0.844	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-16.8	-176.4	26.3	-36.3	0	0	0	114.6	V557	P555-V557 PolarHBondContact O-N 2.77Å
556	S	96.6	Very high	95.4	Very high	51 Å²	51	74 Å²	74	36%	0.357	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-3.3	176.3	75.2	0	0	0	0	113.8	F464 N554 S558	F464-S556 VanDerWaalsContact CE2-OG 3.27Å; F464-S556 WeakPolarHBondContact CE2-OG 3.43Å; N554-S556 PolarHBondContact O-N 2.9Å; N554-S556 VanDerWaalsContact O-N 3.12Å; N554-S556 PolarHBondContact OD1-N 3.41Å; N554-S556 PolarHBondContact OD1-OG 3.26Å; S556-S558 PolarHBondContact O-N 3.33Å
557	V	97.7	Very high	95.3	Very high	22 Å²	22	70 Å²	70	13%	0.133	37%	0.371	C	S	.	.			trans	-64.9	116.9	174.6	168.5	0	0	0	0	109.8	F464 D467 I553 N554 P555 F559	F464-V557 HydrophobicContact CD2-CG2 4.45Å; F464-V557 HydrophobicContact CE2-CG2 3.69Å; F464-V557 HydrophobicContact CZ-CG2 3.83Å; D467-V557 HydrophobicContact CB-CG2 3.75Å; I553-V557 HydrophobicContact CG2-CB 4.16Å; I553-V557 HydrophobicContact CG2-CG2 4.04Å; N554-V557 HydrophobicContact CB-CG2 4.43Å; N554-V557 WeakPolarHBondContact O-CB 3.41Å; N554-V557 WeakPolarHBondContact O-CG2 3.29Å; N554-V557 PolarHBondContact O-N 2.97Å; N554-V557 VanDerWaalsContact O-N 3.11Å; P555-V557 PolarHBondContact O-N 2.77Å; V557-F559 HydrophobicContact CG1-CD2 4.46Å; V557-F559 HydrophobicContact CG1-CE2 4.05Å
558	S	97.9	Very high	95.2	Very high	39 Å²	39	66.2 Å²	66.2	27%	0.273	36%	0.361	S	S	.	.			trans	-140.8	126.2	177.7	174.4	0	0	0	0	111.6	C438 N441 S556 T560	C438-S558 VanDerWaalsContact CA-O 3.22Å; C438-S558 WeakPolarHBondContact CA-O 3.3Å; C438-S558 PolarHBondContact N-O 2.92Å; N441-S558 PolarHBondContact ND2-O 3.41Å; S556-S558 PolarHBondContact O-N 3.33Å; S558-T560 PolarHBondContact OG-N 3.04Å; S558-T560 PolarHBondContact OG-OG1 3.16Å
559	F	97.4	Very high	95.1	Very high	30 Å²	30	66.1 Å²	66.1	13%	0.132	36%	0.361	C	S	.	.			trans	-91.5	7	176.5	-72.3	-79.7	0	0	0	114	D434 C438 C468 S471 H472 R475 V557 R561	D434-F559 HydrophobicContact CB-CD1 3.79Å; D434-F559 HydrophobicContact CB-CE1 4.22Å; D434-F559 VanDerWaalsContact O-CD1 3.28Å; D434-F559 WeakPolarHBondContact O-CD1 3.2Å; C438-F559 HydrophobicContact CB-CD1 4.03Å; C438-F559 HydrophobicContact CB-CE1 3.77Å; C438-F559 HydrophobicContact CB-CZ 4.22Å; C468-F559 WeakPolarHBondContact O-CZ 3.21Å; S471-F559 WeakPolarHBondContact OG-CE2 3.44Å; H472-F559 HydrophobicContact CB-CZ 4.16Å; R475-F559 VanDerWaalsContact CD-CD2 3.47Å; V557-F559 HydrophobicContact CG1-CD2 4.46Å; V557-F559 HydrophobicContact CG1-CE2 4.05Å; F559-R561 PolarHBondContact O-N 3.17Å
560	T	97.6	Very high	95.1	Very high	101 Å²	101	63.2 Å²	63.2	62%	0.62	35%	0.352	S	S	*	.	S	Bend	trans	-54.4	127.9	174.1	-56.4	0	0	0	0	109.8	S437 N441 S558 H562	S437-T560 WeakPolarHBondContact CB-O 3.04Å; N441-T560 PolarHBondContact ND2-O 3.36Å; S558-T560 PolarHBondContact OG-N 3.04Å; S558-T560 PolarHBondContact OG-OG1 3.16Å; T560-H562 PolarHBondContact O-N 3.47Å; T560-H562 VanDerWaalsContact O-N 3.1Å
561	R	97.7	Very high	95.2	Very high	124 Å²	124	62.9 Å²	62.9	47%	0.468	35%	0.346	S	S	.	.	P	Polyproline II helix	trans	-56.1	117.3	-172.1	-176.2	62.2	162.6	144.9	2.6	111.7	P433 F559 E566	P433-R561 VanDerWaalsContact CA-NH1 3.33Å; F559-R561 PolarHBondContact O-N 3.17Å; R561-E566 IonicContact NH2-OE1 3.47Å; R561-E566 IonicContact NH2-OE2 2.79Å; R561-E566 PolarHBondContact NH2-OE2 2.88Å
562	H	97.7	Very high	95.4	Very high	43 Å²	43	61 Å²	61	20%	0.199	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-89	139.4	177.4	-169.9	-86.8	0	0	0	111.2	S437 L440 N441 T560 L564 A565	S437-H562 PolarHBondContact OG-N 3.03Å; L440-H562 HydrophobicContact CB-CB 4.09Å; L440-H562 HydrophobicContact CD1-CB 4.26Å; N441-H562 PolarHBondContact OD1-CD2 3.4Å; T560-H562 PolarHBondContact O-N 3.47Å; T560-H562 VanDerWaalsContact O-N 3.1Å; H562-L564 VanDerWaalsContact C-N 3.25Å; H562-L564 PolarHBondContact ND1-N 3.04Å; H562-L564 VanDerWaalsContact ND1-N 3.11Å; H562-L564 PolarHBondContact O-N 2.94Å; H562-A565 HydrophobicContact CB-CB 4.24Å; H562-A565 WeakPolarHBondContact O-CB 3.47Å; H562-A565 PolarHBondContact O-N 3.34Å
563	P	94.9	Very high	95.5	Very high	119 Å²	119	58.3 Å²	58.3	77%	0.773	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.5	-178.3	-26.9	34.7	0	0	0	114.7
564	L	94.8	Very high	95.4	Very high	76 Å²	76	57.4 Å²	57.4	40%	0.398	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	8	179.1	-56.2	179.4	0	0	0	114.1	N351 L440 H562 E566	N351-L564 WeakPolarHBondContact O-CD1 3.41Å; L440-L564 HydrophobicContact CD1-CB 4.13Å; H562-L564 VanDerWaalsContact C-N 3.25Å; H562-L564 PolarHBondContact ND1-N 3.04Å; H562-L564 VanDerWaalsContact ND1-N 3.11Å; H562-L564 PolarHBondContact O-N 2.94Å; L564-E566 PolarHBondContact O-N 3.28Å
565	A	95.9	Very high	95.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	33%	0.33	C	S	.	.	S	Bend	trans	-72.8	-6.9	-176.1	0	0	0	0	0	114.2	P433 Y436 S437 L440 H562	P433-A565 WeakPolarHBondContact O-CB 3.45Å; Y436-A565 WeakPolarHBondContact CD2-O 3.27Å; S437-A565 VanDerWaalsContact OG-CB 3.26Å; S437-A565 WeakPolarHBondContact OG-CB 3.35Å; L440-A565 HydrophobicContact CD1-CB 4.22Å; H562-A565 HydrophobicContact CB-CB 4.24Å; H562-A565 WeakPolarHBondContact O-CB 3.47Å; H562-A565 PolarHBondContact O-N 3.34Å
566	E	94.4	Very high	95.1	Very high	53 Å²	53	51.8 Å²	51.8	25%	0.248	29%	0.294	C	S	.	.	S	Bend	trans	-118.6	125.5	165.6	-72.8	-174.1	134.7	0	0	111.2	P433 R561 L564 K570 N571	P433-E566 HydrophobicContact CG-CG 4.32Å; R561-E566 IonicContact NH2-OE1 3.47Å; R561-E566 IonicContact NH2-OE2 2.79Å; R561-E566 PolarHBondContact NH2-OE2 2.88Å; L564-E566 PolarHBondContact O-N 3.28Å; E566-K570 HydrophobicContact CB-CD 4.49Å; E566-K570 HydrophobicContact CG-CD 4.22Å; E566-K570 WeakPolarHBondContact OE1-CE 3.42Å; E566-K570 IonicContact OE1-NZ 3.27Å; E566-K570 PolarHBondContact OE1-NZ 3.4Å; E566-N571 WeakPolarHBondContact CB-OD1 3.37Å; E566-N571 PolarHBondContact O-ND2 3.04Å
567	P	93	Very high	94.9	Very high	17 Å²	17	52.5 Å²	52.5	11%	0.11	29%	0.29	C	S	.	.			trans	-70.1	151.1	-178.4	28.1	-33.3	0	0	0	111.2	S569 K570 N571	P567-S569 VanDerWaalsContact C-N 3.26Å; P567-S569 PolarHBondContact O-N 3.01Å; P567-K570 HydrophobicContact CG-CB 3.94Å; P567-K570 WeakPolarHBondContact O-CB 3.41Å; P567-K570 PolarHBondContact O-N 3.22Å; P567-N571 PolarHBondContact O-N 2.94Å
568	P	92.4	Very high	94.4	Very high	29 Å²	29	55.1 Å²	55.1	19%	0.188	30%	0.3	C	S	.	.	H	α-helix	trans	-50.2	-42.4	178.5	-28.8	35.5	0	0	0	114.2	K348 V350 E407 K570 N571 D572	K348-P568 HydrophobicContact CD-CB 4.3Å; V350-P568 HydrophobicContact CG2-CG 4.14Å; E407-P568 WeakPolarHBondContact OE1-CD 3.38Å; P568-K570 PolarHBondContact O-N 3.45Å; P568-N571 PolarHBondContact O-N 3.4Å; P568-N571 VanDerWaalsContact O-N 3.12Å; P568-D572 WeakPolarHBondContact O-CB 2.79Å; P568-D572 PolarHBondContact O-N 3.42Å
569	S	93.8	Very high	93.8	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-57.9	-32.3	178.2	65	0	0	0	0	113.6	E407 P567 L574 R576	E407-S569 VanDerWaalsContact CD-OG 3.28Å; E407-S569 WeakPolarHBondContact OE1-CB 3.25Å; E407-S569 PolarHBondContact OE1-N 3.21Å; E407-S569 PolarHBondContact OE1-OG 3.08Å; E407-S569 VanDerWaalsContact OE2-CB 3.3Å; E407-S569 WeakPolarHBondContact OE2-CB 3.17Å; E407-S569 PolarHBondContact OE2-OG 3.37Å; P567-S569 VanDerWaalsContact C-N 3.26Å; P567-S569 PolarHBondContact O-N 3.01Å; S569-L574 WeakPolarHBondContact O-CB 3.48Å; S569-L574 PolarHBondContact O-N 3.48Å; S569-R576 WeakPolarHBondContact OG-CD 3.42Å; S569-R576 PolarHBondContact OG-NE 3.48Å
570	K	93	Very high	93	Very high	74 Å²	74	63 Å²	63	32%	0.322	34%	0.339	S	S	.	.	H	α-helix	trans	-76.6	-44.5	176.9	-170.1	-174.5	-179.3	-163.9	0	110.7	E566 P567 P568 D572 G573	E566-K570 HydrophobicContact CB-CD 4.49Å; E566-K570 HydrophobicContact CG-CD 4.22Å; E566-K570 WeakPolarHBondContact OE1-CE 3.42Å; E566-K570 IonicContact OE1-NZ 3.27Å; E566-K570 PolarHBondContact OE1-NZ 3.4Å; P567-K570 HydrophobicContact CG-CB 3.94Å; P567-K570 WeakPolarHBondContact O-CB 3.41Å; P567-K570 PolarHBondContact O-N 3.22Å; P568-K570 PolarHBondContact O-N 3.45Å; K570-D572 VanDerWaalsContact C-N 3.28Å; K570-D572 PolarHBondContact O-N 3.07Å; K570-G573 PolarHBondContact O-N 3.48Å; K570-G573 VanDerWaalsContact O-N 3.09Å
571	N	93.7	Very high	92	Very high	99 Å²	99	62 Å²	62	53%	0.529	34%	0.335	S	S	.	.	H	α-helix	trans	-63.3	-36.3	179.5	-65.7	-17.2	0	0	0	111.8	E566 P567 P568 G573	E566-N571 WeakPolarHBondContact CB-OD1 3.37Å; E566-N571 PolarHBondContact O-ND2 3.04Å; P567-N571 PolarHBondContact O-N 2.94Å; P568-N571 PolarHBondContact O-N 3.4Å; P568-N571 VanDerWaalsContact O-N 3.12Å; N571-G573 PolarHBondContact O-N 3.28Å
572	D	94.5	Very high	91.1	Very high	40 Å²	40	61.6 Å²	61.6	21%	0.214	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	-1.4	177.9	-65.4	-12	0	0	0	112.9	Y345 K348 P568 K570 L574	Y345-D572 PolarHBondContact OH-OD2 2.86Å; K348-D572 IonicContact NZ-OD1 2.71Å; K348-D572 PolarHBondContact NZ-OD1 2.86Å; K348-D572 IonicContact NZ-OD2 3.92Å; K348-D572 PolarHBondContact NZ-OD2 3.42Å; P568-D572 WeakPolarHBondContact O-CB 2.79Å; P568-D572 PolarHBondContact O-N 3.42Å; K570-D572 VanDerWaalsContact C-N 3.28Å; K570-D572 PolarHBondContact O-N 3.07Å; D572-L574 HydrophobicContact CB-CD2 4.49Å; D572-L574 HydrophobicContact CB-CG 4.32Å; D572-L574 PolarHBondContact O-N 3.46Å
573	G	93.6	Very high	90.2	Very high	63 Å²	63	68.2 Å²	68.2	65%	0.649	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.3	30	176.1	0	0	0	0	0	114.4	K570 N571	K570-G573 PolarHBondContact O-N 3.48Å; K570-G573 VanDerWaalsContact O-N 3.09Å; N571-G573 PolarHBondContact O-N 3.28Å
574	L	94.6	Very high	89.3	Confident	38 Å²	38	73.1 Å²	73.1	20%	0.199	37%	0.371	C	S	.	.			trans	-67.2	155	-179.1	-60.2	-173.4	0	0	0	112.5	Y345 I399 T403 S569 D572 R576	Y345-L574 HydrophobicContact CE1-CD1 3.79Å; Y345-L574 HydrophobicContact CE2-CD1 4.36Å; Y345-L574 HydrophobicContact CE2-CD2 4.19Å; I399-L574 HydrophobicContact CG2-CD1 4.19Å; I399-L574 HydrophobicContact CG2-CD2 4.16Å; T403-L574 HydrophobicContact CG2-CD1 3.81Å; S569-L574 WeakPolarHBondContact O-CB 3.48Å; S569-L574 PolarHBondContact O-N 3.48Å; D572-L574 HydrophobicContact CB-CD2 4.49Å; D572-L574 HydrophobicContact CB-CG 4.32Å; D572-L574 PolarHBondContact O-N 3.46Å; L574-R576 VanDerWaalsContact C-N 3.26Å; L574-R576 HydrophobicContact CB-CG 4.38Å; L574-R576 PolarHBondContact O-N 3.37Å
575	V	93.5	Very high	88.3	Confident	45 Å²	45	71.7 Å²	71.7	27%	0.273	36%	0.36	S	S	.	.			trans	-76.1	78.6	173.5	-174.8	0	0	0	0	109.7	K396 G400 Q578	K396-V575 HydrophobicContact CB-CG2 4.18Å; G400-V575 WeakPolarHBondContact CA-O 3.27Å; V575-Q578 HydrophobicContact CG1-CB 4.26Å; V575-Q578 VanDerWaalsContact CG1-OE1 3.3Å
576	R	93	Very high	87.6	Confident	25 Å²	25	72.4 Å²	72.4	9%	0.094	37%	0.368	C	S	.	.	S	Bend	trans	-74.2	-39.4	-176.8	-63.1	172.6	71.2	-142.1	-1.8	112.8	V404 C448 S569 L574	V404-R576 HydrophobicContact CG2-CB 3.71Å; V404-R576 HydrophobicContact CG2-CG 3.58Å; C448-R576 PolarHBondContact SG-NH2 3.11Å; S569-R576 WeakPolarHBondContact OG-CD 3.42Å; S569-R576 PolarHBondContact OG-NE 3.48Å; L574-R576 VanDerWaalsContact C-N 3.26Å; L574-R576 HydrophobicContact CB-CG 4.38Å; L574-R576 PolarHBondContact O-N 3.37Å
577	Y	91.5	Very high	86.9	Confident	66 Å²	66	74 Å²	74	26%	0.259	38%	0.382	S	S	.	.	S	Bend	trans	-140.1	102.8	179.5	-52.4	-80.5	0	0	0	108.8	S449 D452 K453 I579	S449-Y577 PolarHBondContact O-OH 3.12Å; D452-Y577 PolarHBondContact O-OH 3.3Å; K453-Y577 VanDerWaalsContact CA-CZ 3.49Å; K453-Y577 HydrophobicContact CB-CD1 4.05Å; K453-Y577 HydrophobicContact CB-CD2 3.71Å; K453-Y577 HydrophobicContact CB-CE1 4.17Å; K453-Y577 HydrophobicContact CB-CE2 3.86Å; K453-Y577 HydrophobicContact CB-CG 3.82Å; Y577-I579 PolarHBondContact O-N 3.5Å
578	Q	88	Confident	86.2	Confident	77 Å²	77	77.9 Å²	77.9	36%	0.36	40%	0.397	S	S	.	.			trans	-67.8	130.7	-177.7	179.9	62.1	52.5	0	0	110.5	R397 V575	R397-Q578 HydrophobicContact CG-CB 4.49Å; V575-Q578 HydrophobicContact CG1-CB 4.26Å; V575-Q578 VanDerWaalsContact CG1-OE1 3.3Å
579	I	84.6	Confident	85.6	Confident	143 Å²	143	81.3 Å²	81.3	73%	0.733	42%	0.422	S	S	*	.			trans	-76.8	133.8	168.6	-60.4	172.8	0	0	0	107.7	Y577 P581	Y577-I579 PolarHBondContact O-N 3.5Å; I579-P581 WeakPolarHBondContact O-CD 3.46Å
580	N	81.3	Confident	84.6	Confident	90 Å²	90	87.6 Å²	87.6	48%	0.481	45%	0.45	S	S	.	.			trans	-52.3	113.3	176.9	-67.7	-2	0	0	0	110.2	W585	N580-W585 HydrophobicContact CB-CB 3.9Å; N580-W585 HydrophobicContact CB-CG 3.93Å; N580-W585 VanDerWaalsContact CG-CD1 3.44Å
581	P	76.8	Confident	83.4	Confident	82 Å²	82	86.8 Å²	86.8	53%	0.532	45%	0.452	S	S	.	.			trans	-78.4	-21.8	-175	30.5	-34.8	0	0	0	113	I579 W585	I579-P581 WeakPolarHBondContact O-CD 3.46Å; P581-W585 HydrophobicContact CG-CD2 4.25Å; P581-W585 HydrophobicContact CG-CE3 3.7Å; P581-W585 HydrophobicContact CG-CH2 3.44Å; P581-W585 VanDerWaalsContact CG-CH2 3.44Å; P581-W585 HydrophobicContact CG-CZ2 3.99Å; P581-W585 HydrophobicContact CG-CZ3 3.29Å
582	E	78.1	Confident	82.2	Confident	115 Å²	115	91.9 Å²	91.9	54%	0.537	47%	0.469	S	S	.	.	S	Bend	trans	-125.6	161.4	-174.9	-55.2	179.5	169.9	0	0	113.3	W585	E582-W585 HydrophobicContact CB-CE3 3.98Å; E582-W585 HydrophobicContact CB-CZ3 4.47Å; E582-W585 HydrophobicContact CG-CE3 4.18Å; E582-W585 HydrophobicContact CG-CZ3 4.17Å
583	K	78.3	Confident	80.5	Confident	182 Å²	182	96.5 Å²	96.5	79%	0.791	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	145.4	168.5	-66.3	-178.7	-178.8	176.5	0	109.6	W585	K583-W585 PolarHBondContact O-N 3.41Å
584	Y	76.3	Confident	78.8	Confident	221 Å²	221	102.3 Å²	102.3	87%	0.867	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	28.2	-179.1	-43.4	-75.1	0	0	0	114.3	G586	Y584-G586 VanDerWaalsContact C-N 3.35Å; Y584-G586 PolarHBondContact O-N 3.46Å
585	W	74.9	Confident	76.4	Confident	47 Å²	47	110.2 Å²	110.2	18%	0.178	53%	0.531	C	S	.	.			trans	-63.7	88.4	172.5	-166.4	-91.7	0	0	0	111	V44 D250 N580 P581 E582 K583	V44-W585 HydrophobicContact CB-CD2 4.2Å; V44-W585 HydrophobicContact CB-CE3 4.4Å; V44-W585 HydrophobicContact CB-CH2 4.37Å; V44-W585 HydrophobicContact CB-CZ2 4.19Å; V44-W585 HydrophobicContact CB-CZ3 4.46Å; V44-W585 HydrophobicContact CG1-CD2 3.76Å; V44-W585 HydrophobicContact CG1-CE3 4.4Å; V44-W585 HydrophobicContact CG1-CG 4.15Å; V44-W585 HydrophobicContact CG1-CH2 4.2Å; V44-W585 HydrophobicContact CG1-CZ2 3.54Å; V44-W585 VanDerWaalsContact CG1-NE1 3.33Å; V44-W585 HydrophobicContact CG2-CD2 3.51Å; V44-W585 HydrophobicContact CG2-CE3 3.48Å; V44-W585 VanDerWaalsContact CG2-CE3 3.48Å; V44-W585 HydrophobicContact CG2-CG 4.01Å; V44-W585 HydrophobicContact CG2-CH2 4.22Å; V44-W585 HydrophobicContact CG2-CZ2 4.27Å; V44-W585 HydrophobicContact CG2-CZ3 3.82Å; D250-W585 PolarHBondContact OD2-NE1 3.03Å; N580-W585 HydrophobicContact CB-CB 3.9Å; N580-W585 HydrophobicContact CB-CG 3.93Å; N580-W585 VanDerWaalsContact CG-CD1 3.44Å; P581-W585 HydrophobicContact CG-CD2 4.25Å; P581-W585 HydrophobicContact CG-CE3 3.7Å; P581-W585 HydrophobicContact CG-CH2 3.44Å; P581-W585 VanDerWaalsContact CG-CH2 3.44Å; P581-W585 HydrophobicContact CG-CZ2 3.99Å; P581-W585 HydrophobicContact CG-CZ3 3.29Å; E582-W585 HydrophobicContact CB-CE3 3.98Å; E582-W585 HydrophobicContact CB-CZ3 4.47Å; E582-W585 HydrophobicContact CG-CE3 4.18Å; E582-W585 HydrophobicContact CG-CZ3 4.17Å; K583-W585 PolarHBondContact O-N 3.41Å
586	G	80.7	Confident	74.2	Confident	15 Å²	15	113.5 Å²	113.5	16%	0.155	55%	0.552	C	S	.	*	S	Bend	trans	-170.1	-175.5	-169.5	0	0	0	0	0	114	N42 F251 Y584	N42-G586 PolarHBondContact ND2-O 3.18Å; F251-G586 VanDerWaalsContact CD1-C 3.46Å; F251-G586 VanDerWaalsContact CD1-CA 3.48Å; F251-G586 WeakPolarHBondContact CE1-O 3.37Å; Y584-G586 VanDerWaalsContact C-N 3.35Å; Y584-G586 PolarHBondContact O-N 3.46Å
587	P	79.2	Confident	71.7	Confident	86 Å²	86	117.4 Å²	117.4	56%	0.558	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-67.4	137	175.8	28.3	-30.9	0	0	0	110.1	F251	F251-P587 HydrophobicContact CB-CG 4.3Å; F251-P587 HydrophobicContact CD2-CB 3.67Å; F251-P587 HydrophobicContact CD2-CG 4.24Å; F251-P587 HydrophobicContact CE2-CB 4.05Å; F251-P587 HydrophobicContact CG-CB 4.18Å; F251-P587 HydrophobicContact CG-CG 4.28Å
588	K	79.2	Confident	69.3	Low	98 Å²	98	123.8 Å²	123.8	43%	0.426	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-80.4	163.8	169.9	-70.4	-169.2	176.2	-173.9	0	110.6	F40 Y41 N42 F166	F40-K588 HydrophobicContact CE2-CB 3.93Å; Y41-K588 VanDerWaalsContact O-CD 3.26Å; Y41-K588 WeakPolarHBondContact O-CD 3.37Å; Y41-K588 VanDerWaalsContact O-CE 3.29Å; Y41-K588 WeakPolarHBondContact O-CE 3.46Å; Y41-K588 PolarHBondContact O-NZ 2.95Å; N42-K588 HydrophobicContact CB-CD 4.24Å; N42-K588 HydrophobicContact CB-CG 4.41Å; F166-K588 VanDerWaalsContact CE2-O 3.24Å; F166-K588 WeakPolarHBondContact CE2-O 3.5Å
589	S	78.3	Confident	68.3	Low	102 Å²	102	126.2 Å²	126.2	71%	0.713	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-71.1	151	173	49.4	0	0	0	0	111.5
590	K	73.6	Confident	67.5	Low	132 Å²	132	125.3 Å²	125.3	57%	0.574	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-57.7	137.2	171.3	-169.7	179.2	176.1	177.4	0	109.3	F166 K592	F166-K590 HydrophobicContact CD1-CB 3.88Å; F166-K590 HydrophobicContact CD1-CD 4.2Å; F166-K590 HydrophobicContact CD1-CG 4.01Å; F166-K590 HydrophobicContact CD2-CB 4.47Å; F166-K590 HydrophobicContact CE1-CB 3.67Å; F166-K590 HydrophobicContact CE1-CG 4.3Å; F166-K590 HydrophobicContact CE2-CB 4.28Å; F166-K590 HydrophobicContact CG-CB 4.29Å; F166-K590 HydrophobicContact CG-CG 4.27Å; F166-K590 HydrophobicContact CZ-CB 3.89Å; K590-K592 PolarHBondContact O-N 3.12Å
591	P	67.6	Low	66.7	Low	56 Å²	56	127.2 Å²	127.2	36%	0.364	65%	0.651	S	S	.	*	P	Polyproline II helix	trans	-56.5	137.7	170.3	-23.7	34.2	0	0	0	110.8	F40 M593	F40-P591 HydrophobicContact CB-CG 3.62Å; F40-P591 HydrophobicContact CD2-CG 3.96Å; F40-P591 HydrophobicContact CG-CG 4.16Å; P591-M593 PolarHBondContact O-N 3.48Å
592	K	68.4	Low	66.1	Low	207 Å²	207	129.9 Å²	129.9	90%	0.9	66%	0.658	S	S	*	*			trans	-72.1	112.4	169.7	-68.6	-176.2	179.9	179.6	0	107.5	K590 K594	K590-K592 PolarHBondContact O-N 3.12Å; K592-K594 PolarHBondContact O-N 2.84Å
593	M	59.8	Low	65.4	Low	137 Å²	137	130.8 Å²	130.8	68%	0.675	67%	0.665	S	S	*	*			trans	-61.8	126.1	165.2	-72.4	176.9	75.2	0	0	107.5	P591 K595	P591-M593 PolarHBondContact O-N 3.48Å; M593-K595 PolarHBondContact O-N 3.4Å
594	K	56.9	Low	64.5	Low	184 Å²	184	127.4 Å²	127.4	80%	0.8	66%	0.657	S	S	*	*			trans	-60.2	125.7	161.5	-73.2	-178.6	-179.8	175.6	0	105.3	K592 T596	K592-K594 PolarHBondContact O-N 2.84Å; K594-T596 PolarHBondContact O-N 3.17Å
595	K	44.2	Very low	63.7	Low	204 Å²	204	120.7 Å²	120.7	89%	0.887	64%	0.642	S	S	*	*			trans	-57.3	109	168.4	-74.7	-175.6	176.6	-176.7	0	105.8	M593 S597	M593-K595 PolarHBondContact O-N 3.4Å; K595-S597 PolarHBondContact O-N 3.35Å; K595-S597 VanDerWaalsContact O-N 3.15Å
596	T	47	Very low	62.8	Low	115 Å²	115	126.4 Å²	126.4	71%	0.706	68%	0.677	S	S	*	*			trans	-64.3	111.6	159.9	45.9	0	0	0	0	104.6	K594	K594-T596 PolarHBondContact O-N 3.17Å
597	S	41.9	Very low	61.3	Low	107 Å²	107	135.7 Å²	135.7	75%	0.748	72%	0.721	S	S	*	*			trans	-52.2	131.4	163	-46	0	0	0	0	106.7	K595	K595-S597 PolarHBondContact O-N 3.35Å; K595-S597 VanDerWaalsContact O-N 3.15Å
598	P	39.8	Very low	59.7	Low	200 Å²	200	140.2 Å²	140.2	100%	1.299	74%	0.736	S	S	*	*			trans	-57.4	0	-178.6	24.1	-33.2	0	0	0	112.6

Retrieved 598 of 598 residues in 125.6 ms (Link to these results)

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