A0A087X4W2_POEFO Loading...

Spliceosome-associated protein CWC27 homolog

AlphaFold DB , UniProt , Accession A0A087X4W2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 473 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	47.8	Very low	78.1	Confident	231 Å²	231	111.7 Å²	111.7	100%	1.138	58%	0.578	S	S	*	*				0	114.2	0	-69.5	-161.6	-97	0	0	107.6	N3	M1-N3 PolarHBondContact O-N 2.93Å
2	S	55.2	Low	79.4	Confident	107 Å²	107	105.4 Å²	105.4	75%	0.748	55%	0.551	S	S	*	*			trans	-72.5	114.8	179.4	38.7	0	0	0	0	109.4	I4	S2-I4 PolarHBondContact O-N 3.34Å
3	N	69.9	Low	80.5	Confident	123 Å²	123	97.8 Å²	97.8	66%	0.658	51%	0.514	S	S	*	.			trans	-77.6	63.1	177.6	-77.2	-26.9	0	0	0	111.1	M1 Y5	M1-N3 PolarHBondContact O-N 2.93Å; N3-Y5 HydrophobicContact CB-CE2 4.04Å
4	I	80.9	Confident	81.6	Confident	136 Å²	136	95.3 Å²	95.3	70%	0.697	50%	0.497	S	S	*	.			trans	-99.2	97.3	170.9	-60.6	170.3	0	0	0	107.4	S2 I6	S2-I4 PolarHBondContact O-N 3.34Å; I4-I6 HydrophobicContact CG2-CG1 4.37Å; I4-I6 PolarHBondContact O-N 3.18Å
5	Y	74.9	Confident	82.6	Confident	185 Å²	185	88.9 Å²	88.9	73%	0.725	46%	0.464	S	S	*	.			trans	-83.5	103.4	176.8	-66.4	-82	0	0	0	110.1	N3 Q7	N3-Y5 HydrophobicContact CB-CE2 4.04Å; Y5-Q7 PolarHBondContact O-N 3.09Å
6	I	79.1	Confident	83.5	Confident	123 Å²	123	84.3 Å²	84.3	63%	0.631	44%	0.439	S	S	*	.			trans	-81.1	104.5	169.4	-59	174	0	0	0	107.5	I4 E8	I4-I6 HydrophobicContact CG2-CG1 4.37Å; I4-I6 PolarHBondContact O-N 3.18Å; I6-E8 VanDerWaalsContact C-N 3.25Å; I6-E8 HydrophobicContact CG2-CB 4.03Å; I6-E8 HydrophobicContact CG2-CG 4.41Å; I6-E8 PolarHBondContact O-N 2.97Å
7	Q	82	Confident	84.3	Confident	139 Å²	139	79.3 Å²	79.3	65%	0.65	41%	0.413	S	S	*	.			trans	-80.7	-1.3	180	-66.6	-172.7	-12.9	0	0	113.6	Y5 R90	Y5-Q7 PolarHBondContact O-N 3.09Å; Q7-R90 PolarHBondContact O-NE 3.18Å; Q7-R90 PolarHBondContact O-NH2 2.87Å
8	E	88.9	Confident	85	Confident	40 Å²	40	78.1 Å²	78.1	19%	0.187	40%	0.404	C	S	.	.	S	Bend	trans	-72.2	145.7	178.3	-65.7	174.6	-175.8	0	0	111.2	I6 W29 R90 R95 K132	I6-E8 VanDerWaalsContact C-N 3.25Å; I6-E8 HydrophobicContact CG2-CB 4.03Å; I6-E8 HydrophobicContact CG2-CG 4.41Å; I6-E8 PolarHBondContact O-N 2.97Å; E8-W29 HydrophobicContact CB-CZ2 4.23Å; E8-W29 HydrophobicContact CG-CZ2 4.34Å; E8-R90 PolarHBondContact O-NH2 3.25Å; E8-R95 VanDerWaalsContact CD-NH2 3.28Å; E8-R95 IonicContact OE1-CZ 3.08Å; E8-R95 VanDerWaalsContact OE1-CZ 3.3Å; E8-R95 IonicContact OE1-NE 3.94Å; E8-R95 PolarHBondContact OE1-NE 3.27Å; E8-R95 IonicContact OE1-NH2 3.3Å; E8-R95 PolarHBondContact OE1-NH2 3.07Å; E8-R95 IonicContact OE2-CZ 3.33Å; E8-R95 IonicContact OE2-NH2 3.82Å; E8-R95 PolarHBondContact OE2-NH2 3.47Å; E8-K132 IonicContact OE2-NZ 2.68Å; E8-K132 PolarHBondContact OE2-NZ 3.49Å
9	P	92.9	Very high	85.5	Confident	4 Å²	4	74.4 Å²	74.4	3%	0.026	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-68.1	157.9	171.1	28.2	-30.9	0	0	0	111.4	W29 E32 L91	P9-W29 PolarHBondContact O-NE1 2.82Å; P9-E32 WeakPolarHBondContact CB-OE1 3.24Å; P9-E32 HydrophobicContact CG-CG 3.96Å; P9-E32 WeakPolarHBondContact CG-OE1 3.11Å; P9-L91 HydrophobicContact CG-CD2 4Å
10	P	93.4	Very high	86	Confident	97 Å²	97	73.9 Å²	73.9	63%	0.63	39%	0.386	S	S	*	.	P	Polyproline II helix	trans	-64.2	141.7	175.8	28.6	-34.7	0	0	0	110.8
11	T	94.6	Very high	86.3	Confident	44 Å²	44	70.5 Å²	70.5	27%	0.27	37%	0.369	S	S	.	.	P	Polyproline II helix	trans	-80.7	154.4	176	40.9	0	0	0	0	111.1	E27 L28 W29 K132	T11-E27 HydrophobicContact CG2-CB 3.74Å; T11-E27 PolarHBondContact OG1-OE2 2.91Å; T11-L28 CarbonylContact C-O 3.53Å; T11-L28 WeakPolarHBondContact CA-O 3.34Å; T11-L28 WeakPolarHBondContact CB-O 3.4Å; T11-W29 HydrophobicContact CG2-CD2 4.21Å; T11-W29 HydrophobicContact CG2-CG 4.15Å; T11-W29 HydrophobicContact CG2-CZ2 4.38Å; T11-K132 HydrophobicContact CG2-CD 4.44Å; T11-K132 VanDerWaalsContact CG2-CE 3.5Å; T11-K132 HydrophobicContact CG2-CG 4.3Å
12	S	93.6	Very high	88.6	Confident	36 Å²	36	60.5 Å²	60.5	25%	0.252	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-147.2	104.8	179.4	171	0	0	0	0	108.1	L28 S30	S12-L28 CarbonylContact C-O 3.51Å; S12-L28 PolarHBondContact N-O 2.76Å; S12-S30 WeakPolarHBondContact CB-OG 3.35Å; S12-S30 WeakPolarHBondContact O-CB 3.34Å; S12-S30 PolarHBondContact O-OG 3.04Å; S12-S30 PolarHBondContact OG-OG 2.98Å; S12-S30 VanDerWaalsContact OG-OG 3.06Å
13	G	93.8	Very high	90.5	Very high	7 Å²	7	60.4 Å²	60.4	7%	0.072	31%	0.313	C	S	.	.			trans	114.4	141.6	-173.1	0	0	0	0	0	112.5	E27 L28 H168	G13-E27 WeakPolarHBondContact O-CA 3.4Å; G13-L28 PolarHBondContact O-N 3.39Å; G13-H168 VanDerWaalsContact CA-O 3.31Å; G13-H168 WeakPolarHBondContact CA-O 3.23Å
14	K	95.9	Very high	91.8	Very high	62 Å²	62	54.5 Å²	54.5	27%	0.27	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	132.4	178.9	-166.3	179.3	178.5	-174.3	0	111	D25 I26 L167 H168	K14-D25 WeakPolarHBondContact CE-OD2 3.43Å; K14-D25 IonicContact NZ-OD2 2.78Å; K14-D25 PolarHBondContact NZ-OD2 3.48Å; K14-I26 CarbonylContact C-O 3.6Å; K14-I26 WeakPolarHBondContact CA-O 3.39Å; K14-L167 HydrophobicContact CB-CB 4.31Å; K14-L167 HydrophobicContact CD-CD1 3.88Å; K14-L167 HydrophobicContact CG-CB 4.43Å; K14-L167 HydrophobicContact CG-CD1 4.11Å; K14-L167 PolarHBondContact O-N 3.1Å; K14-H168 HydrophobicContact CB-CB 4.2Å; K14-H168 PolarHBondContact N-O 3.19Å; K14-H168 PolarHBondContact O-N 3.49Å
15	V	96.6	Very high	92.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	134.7	179.1	179	0	0	0	0	109.2	L17 I26 L28 F40 V41 C44 E165 V166	V15-L17 HydrophobicContact CG1-CD2 4.18Å; V15-I26 PolarHBondContact N-O 3.06Å; V15-I26 PolarHBondContact O-N 2.88Å; V15-L28 HydrophobicContact CG2-CD1 3.9Å; V15-F40 HydrophobicContact CB-CE1 3.95Å; V15-F40 HydrophobicContact CG1-CE1 3.89Å; V15-F40 HydrophobicContact CG1-CZ 4.42Å; V15-F40 HydrophobicContact CG2-CD1 4.32Å; V15-F40 HydrophobicContact CG2-CE1 4.01Å; V15-V41 HydrophobicContact CG2-CG2 4.3Å; V15-C44 HydrophobicContact CG1-CB 4.39Å; V15-E165 CarbonylContact C-O 3.52Å; V15-V166 HydrophobicContact CG2-CG1 4.44Å; V15-V166 HydrophobicContact CG2-CG2 4.33Å
16	L	96.4	Very high	93.6	Very high	14 Å²	14	40.6 Å²	40.6	7%	0.073	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	119.7	175.9	170.1	63.5	0	0	0	109.4	K18 E23 D25 E165 L167	L16-K18 HydrophobicContact CD2-CG 4.44Å; L16-K18 HydrophobicContact CG-CG 4.31Å; L16-E23 HydrophobicContact CD1-CB 3.82Å; L16-E23 HydrophobicContact CD1-CG 4.27Å; L16-D25 WeakPolarHBondContact CD1-OD1 3.48Å; L16-E165 HydrophobicContact CB-CB 4.38Å; L16-E165 PolarHBondContact N-O 3.32Å; L16-E165 PolarHBondContact O-N 2.84Å; L16-L167 HydrophobicContact CB-CD1 3.94Å; L16-L167 HydrophobicContact CB-CD2 4.34Å; L16-L167 HydrophobicContact CB-CG 3.96Å
17	L	96.6	Very high	94.4	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	115.7	170.6	-60.9	-174.4	0	0	0	109.8	V15 T19 I24 I26 F40 F113 F115 I161 A164	V15-L17 HydrophobicContact CG1-CD2 4.18Å; L17-T19 HydrophobicContact CB-CG2 4.36Å; L17-T19 PolarHBondContact O-N 2.78Å; L17-I24 HydrophobicContact CB-CB 4.42Å; L17-I24 PolarHBondContact N-O 3.46Å; L17-I24 PolarHBondContact O-N 2.95Å; L17-I26 HydrophobicContact CD1-CD1 3.51Å; L17-I26 HydrophobicContact CG-CD1 3.93Å; L17-F40 HydrophobicContact CD1-CZ 4.36Å; L17-F40 HydrophobicContact CD2-CZ 4.4Å; L17-F113 HydrophobicContact CD1-CZ 4.21Å; L17-F115 HydrophobicContact CD1-CZ 4.28Å; L17-I161 HydrophobicContact CD1-CD1 4.37Å; L17-A164 HydrophobicContact CD2-CB 3.55Å
18	K	96.5	Very high	95.1	Very high	58 Å²	58	30.7 Å²	30.7	25%	0.252	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	103.3	173.4	-64.7	-175.6	178.2	159.2	0	108.5	L16 E23 R162 T163 E165	L16-K18 HydrophobicContact CD2-CG 4.44Å; L16-K18 HydrophobicContact CG-CG 4.31Å; K18-E23 HydrophobicContact CG-CG 4.3Å; K18-R162 WeakPolarHBondContact O-CA 3.3Å; K18-R162 WeakPolarHBondContact O-CB 3.38Å; K18-R162 PolarHBondContact O-N 2.94Å; K18-T163 PolarHBondContact N-O 3.39Å; K18-T163 PolarHBondContact O-N 2.91Å; K18-E165 WeakPolarHBondContact CE-OE2 3.21Å; K18-E165 IonicContact NZ-OE1 3.87Å; K18-E165 PolarHBondContact NZ-OE1 3.32Å; K18-E165 IonicContact NZ-OE2 2.68Å; K18-E165 PolarHBondContact NZ-OE2 3.25Å
19	T	96.1	Very high	95.5	Very high	8 Å²	8	28.9 Å²	28.9	5%	0.049	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	170.8	-179.9	75.1	0	0	0	0	111.7	L17 A21 G22 I24 F54 K160 I161	L17-T19 HydrophobicContact CB-CG2 4.36Å; L17-T19 PolarHBondContact O-N 2.78Å; T19-A21 PolarHBondContact O-N 2.88Å; T19-A21 PolarHBondContact OG1-N 3.01Å; T19-G22 WeakPolarHBondContact CA-O 3.38Å; T19-G22 PolarHBondContact N-O 3.3Å; T19-G22 PolarHBondContact O-N 3.13Å; T19-G22 PolarHBondContact OG1-N 3.03Å; T19-G22 PolarHBondContact OG1-O 3.39Å; T19-I24 HydrophobicContact CG2-CD1 4.05Å; T19-F54 HydrophobicContact CG2-CE2 4.15Å; T19-F54 HydrophobicContact CG2-CZ 4.34Å; T19-K160 CarbonylContact C-O 3.54Å; T19-K160 WeakPolarHBondContact CA-O 3.33Å; T19-I161 HydrophobicContact CG2-CG1 4.27Å
20	T	95.1	Very high	95.6	Very high	63 Å²	63	29.2 Å²	29.2	39%	0.387	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-19	173	53.5	0	0	0	0	113.8	H159 K160	T20-H159 WeakPolarHBondContact OG1-CA 3.49Å; T20-H159 WeakPolarHBondContact OG1-CB 3.29Å; T20-H159 PolarHBondContact OG1-ND1 3.34Å; T20-K160 HydrophobicContact CG2-CB 4.32Å; T20-K160 PolarHBondContact N-O 3.05Å; T20-K160 PolarHBondContact OG1-N 2.95Å
21	A	92.6	Very high	95.6	Very high	3 Å²	3	32.2 Å²	32.2	3%	0.025	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	-15	175.7	0	0	0	0	0	113.4	T19 R143 L144	T19-A21 PolarHBondContact O-N 2.88Å; T19-A21 PolarHBondContact OG1-N 3.01Å; A21-R143 HydrophobicContact CB-CB 4.3Å; A21-R143 HydrophobicContact CB-CG 4.24Å; A21-L144 HydrophobicContact CB-CD2 3.42Å; A21-L144 VanDerWaalsContact CB-CD2 3.42Å; A21-L144 HydrophobicContact CB-CG 3.79Å
22	G	94.8	Very high	95.6	Very high	22 Å²	22	32.1 Å²	32.1	23%	0.227	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.2	-173.8	-177.8	0	0	0	0	0	112.4	T19	T19-G22 WeakPolarHBondContact CA-O 3.38Å; T19-G22 PolarHBondContact N-O 3.3Å; T19-G22 PolarHBondContact O-N 3.13Å; T19-G22 PolarHBondContact OG1-N 3.03Å; T19-G22 PolarHBondContact OG1-O 3.39Å
23	E	96	Very high	95.7	Very high	104 Å²	104	30.4 Å²	30.4	49%	0.486	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	132.4	178.5	-68.6	-172.9	171.9	0	0	110.4	L16 K18 T137 N140	L16-E23 HydrophobicContact CD1-CB 3.82Å; L16-E23 HydrophobicContact CD1-CG 4.27Å; K18-E23 HydrophobicContact CG-CG 4.3Å; E23-T137 WeakPolarHBondContact O-CB 3.36Å; E23-T137 WeakPolarHBondContact O-CG2 3.37Å; E23-N140 PolarHBondContact N-ND2 2.91Å; E23-N140 PolarHBondContact O-ND2 3.27Å
24	I	96.9	Very high	95.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	112.5	179.7	-57.7	179	0	0	0	108.4	L17 T19 I26 F115 V133 N140 L144	L17-I24 HydrophobicContact CB-CB 4.42Å; L17-I24 PolarHBondContact N-O 3.46Å; L17-I24 PolarHBondContact O-N 2.95Å; T19-I24 HydrophobicContact CG2-CD1 4.05Å; I24-I26 HydrophobicContact CG2-CG1 4.13Å; I24-F115 HydrophobicContact CG2-CE1 4.43Å; I24-F115 HydrophobicContact CG2-CZ 4.44Å; I24-V133 HydrophobicContact CG2-CG1 3.84Å; I24-V133 HydrophobicContact CG2-CG2 4.01Å; I24-N140 HydrophobicContact CG1-CB 4.16Å; I24-L144 HydrophobicContact CD1-CD1 3.48Å; I24-L144 VanDerWaalsContact CD1-CD1 3.48Å; I24-L144 HydrophobicContact CD1-CG 4.45Å
25	D	96.6	Very high	95.6	Very high	29 Å²	29	33.7 Å²	33.7	16%	0.155	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	121.1	176.8	-89.9	-8.5	0	0	0	109.5	K14 L16 V133 T134 T137	K14-D25 WeakPolarHBondContact CE-OD2 3.43Å; K14-D25 IonicContact NZ-OD2 2.78Å; K14-D25 PolarHBondContact NZ-OD2 3.48Å; L16-D25 WeakPolarHBondContact CD1-OD1 3.48Å; D25-V133 WeakPolarHBondContact O-CA 3.4Å; D25-T134 HydrophobicContact CB-CG2 3.85Å; D25-T134 WeakPolarHBondContact CB-OG1 3.46Å; D25-T134 PolarHBondContact O-N 3.46Å; D25-T134 PolarHBondContact O-OG1 3.21Å; D25-T137 HydrophobicContact CB-CG2 3.91Å; D25-T137 PolarHBondContact N-OG1 3.46Å; D25-T137 VanDerWaalsContact N-OG1 3.12Å
26	I	97.3	Very high	95.6	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	120.5	-179.4	-56.3	174.5	0	0	0	108.8	K14 V15 L17 I24 L28 F40 V99 F115 K132	K14-I26 CarbonylContact C-O 3.6Å; K14-I26 WeakPolarHBondContact CA-O 3.39Å; V15-I26 PolarHBondContact N-O 3.06Å; V15-I26 PolarHBondContact O-N 2.88Å; L17-I26 HydrophobicContact CD1-CD1 3.51Å; L17-I26 HydrophobicContact CG-CD1 3.93Å; I24-I26 HydrophobicContact CG2-CG1 4.13Å; I26-L28 HydrophobicContact CG2-CD2 3.78Å; I26-F40 HydrophobicContact CD1-CE1 4.45Å; I26-F40 HydrophobicContact CD1-CZ 3.98Å; I26-V99 HydrophobicContact CD1-CG2 4.41Å; I26-V99 HydrophobicContact CG1-CG2 4.44Å; I26-V99 HydrophobicContact CG2-CG2 3.88Å; I26-F115 HydrophobicContact CD1-CE1 3.88Å; I26-F115 HydrophobicContact CD1-CZ 3.96Å; I26-F115 HydrophobicContact CG1-CE1 4.37Å; I26-K132 CarbonylContact C-O 3.46Å; I26-K132 WeakPolarHBondContact CA-O 3.32Å
27	E	96.6	Very high	95.5	Very high	54 Å²	54	33 Å²	33	25%	0.252	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	137.6	167.1	-65.6	-179.2	179.5	0	0	110.3	T11 G13 G131 K132 T134	T11-E27 HydrophobicContact CG2-CB 3.74Å; T11-E27 PolarHBondContact OG1-OE2 2.91Å; G13-E27 WeakPolarHBondContact O-CA 3.4Å; E27-G131 CarbonylContact O-C 3.58Å; E27-G131 WeakPolarHBondContact O-CA 3.34Å; E27-K132 HydrophobicContact CB-CG 4.23Å; E27-K132 PolarHBondContact N-O 3.2Å; E27-K132 PolarHBondContact O-N 3.41Å; E27-K132 VanDerWaalsContact OE2-CE 3.23Å; E27-K132 WeakPolarHBondContact OE2-CE 3.43Å; E27-T134 HydrophobicContact CG-CG2 3.76Å
28	L	96.8	Very high	95.5	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	147.5	-172.6	-57.5	176.8	0	0	0	111.8	T11 S12 G13 V15 I26 F40 V41 F130	T11-L28 CarbonylContact C-O 3.53Å; T11-L28 WeakPolarHBondContact CA-O 3.34Å; T11-L28 WeakPolarHBondContact CB-O 3.4Å; S12-L28 CarbonylContact C-O 3.51Å; S12-L28 PolarHBondContact N-O 2.76Å; G13-L28 PolarHBondContact O-N 3.39Å; V15-L28 HydrophobicContact CG2-CD1 3.9Å; I26-L28 HydrophobicContact CG2-CD2 3.78Å; L28-F40 HydrophobicContact CD1-CD1 4.25Å; L28-F40 HydrophobicContact CD2-CD1 3.98Å; L28-F40 HydrophobicContact CD2-CE1 4.25Å; L28-V41 HydrophobicContact CD1-CG2 3.51Å; L28-F130 WeakPolarHBondContact CA-O 3.2Å; L28-F130 HydrophobicContact CD2-CD2 3.75Å; L28-F130 HydrophobicContact CD2-CE2 3.83Å
29	W	96.8	Very high	95.4	Very high	2 Å²	2	33.8 Å²	33.8	1%	0.008	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-99.7	70.6	170.8	-74.3	-63.4	0	0	0	110.2	E8 P9 T11 K31 E32 A33 C37 L91 L98 I129 F130 G131 K132	E8-W29 HydrophobicContact CB-CZ2 4.23Å; E8-W29 HydrophobicContact CG-CZ2 4.34Å; P9-W29 PolarHBondContact O-NE1 2.82Å; T11-W29 HydrophobicContact CG2-CD2 4.21Å; T11-W29 HydrophobicContact CG2-CG 4.15Å; T11-W29 HydrophobicContact CG2-CZ2 4.38Å; W29-K31 PolarHBondContact O-N 2.78Å; W29-E32 HydrophobicContact CB-CB 4.27Å; W29-E32 WeakPolarHBondContact CB-OE2 3.02Å; W29-E32 PolarHBondContact O-N 3.31Å; W29-A33 PolarHBondContact O-N 3.45Å; W29-C37 VanDerWaalsContact C-SG 3.54Å; W29-C37 PolarHBondContact O-SG 3.31Å; W29-L91 HydrophobicContact CB-CD1 4.34Å; W29-L91 HydrophobicContact CD2-CD1 4.18Å; W29-L91 HydrophobicContact CD2-CD2 3.64Å; W29-L91 HydrophobicContact CE3-CD1 4.07Å; W29-L91 HydrophobicContact CE3-CD2 3.75Å; W29-L91 HydrophobicContact CG-CD1 4.32Å; W29-L91 HydrophobicContact CG-CD2 4.26Å; W29-L91 HydrophobicContact CH2-CD2 3.86Å; W29-L91 HydrophobicContact CZ2-CD2 3.75Å; W29-L91 HydrophobicContact CZ3-CD2 3.87Å; W29-L98 HydrophobicContact CH2-CD2 3.79Å; W29-L98 HydrophobicContact CZ3-CD2 4.13Å; W29-I129 HydrophobicContact CE3-CG2 3.92Å; W29-I129 HydrophobicContact CZ3-CG2 3.5Å; W29-I129 VanDerWaalsContact CZ3-CG2 3.5Å; W29-F130 PolarHBondContact N-O 3.08Å; W29-G131 VanDerWaalsContact CZ3-C 3.41Å; W29-G131 VanDerWaalsContact CZ3-O 3.26Å; W29-G131 WeakPolarHBondContact CZ3-O 3.28Å; W29-K132 HydrophobicContact CH2-CB 3.76Å; W29-K132 HydrophobicContact CH2-CD 3.95Å; W29-K132 HydrophobicContact CH2-CG 3.95Å; W29-K132 HydrophobicContact CZ2-CB 4.39Å; W29-K132 HydrophobicContact CZ2-CD 3.77Å; W29-K132 HydrophobicContact CZ2-CG 4.08Å; W29-K132 HydrophobicContact CZ3-CB 4.16Å
30	S	94.6	Very high	95.4	Very high	11 Å²	11	33.4 Å²	33.4	8%	0.077	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.3	-176.5	49.3	0	0	0	0	114.5	S12 P34	S12-S30 WeakPolarHBondContact CB-OG 3.35Å; S12-S30 WeakPolarHBondContact O-CB 3.34Å; S12-S30 PolarHBondContact O-OG 3.04Å; S12-S30 PolarHBondContact OG-OG 2.98Å; S12-S30 VanDerWaalsContact OG-OG 3.06Å; S30-P34 VanDerWaalsContact O-CA 3.31Å; S30-P34 WeakPolarHBondContact O-CA 3.29Å; S30-P34 WeakPolarHBondContact O-CB 3.33Å
31	K	94.3	Very high	95.4	Very high	160 Å²	160	30.4 Å²	30.4	70%	0.696	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-42	176.7	-68	-178	179.6	177.7	0	111.9	W29	W29-K31 PolarHBondContact O-N 2.78Å
32	E	93.9	Very high	95.5	Very high	42 Å²	42	31.1 Å²	31.1	20%	0.196	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-38.8	-177	-65	71.1	-161.3	0	0	112.3	P9 W29 P34 H88 L91	P9-E32 WeakPolarHBondContact CB-OE1 3.24Å; P9-E32 HydrophobicContact CG-CG 3.96Å; P9-E32 WeakPolarHBondContact CG-OE1 3.11Å; W29-E32 HydrophobicContact CB-CB 4.27Å; W29-E32 WeakPolarHBondContact CB-OE2 3.02Å; W29-E32 PolarHBondContact O-N 3.31Å; E32-P34 VanDerWaalsContact C-CD 3.48Å; E32-P34 WeakPolarHBondContact O-CD 3.28Å; E32-H88 HydrophobicContact CB-CB 4.34Å; E32-H88 HydrophobicContact CG-CB 4.48Å; E32-L91 HydrophobicContact CB-CD1 3.8Å; E32-L91 HydrophobicContact CG-CD1 4.2Å
33	A	95	Very high	95.5	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-126.8	64.7	-178.3	0	0	0	0	0	111.8	W29 K35 A36 C37 E86 T128 F130	W29-A33 PolarHBondContact O-N 3.45Å; A33-K35 PolarHBondContact O-N 2.93Å; A33-A36 HydrophobicContact CB-CB 4.29Å; A33-C37 WeakPolarHBondContact O-CB 3.25Å; A33-C37 PolarHBondContact O-N 2.9Å; A33-C37 PolarHBondContact O-SG 3.3Å; A33-E86 VanDerWaalsContact CA-OE2 3.26Å; A33-E86 WeakPolarHBondContact CA-OE2 3.17Å; A33-E86 HydrophobicContact CB-CB 4.49Å; A33-T128 HydrophobicContact CB-CG2 4.14Å; A33-F130 HydrophobicContact CB-CB 3.9Å
34	P	94.6	Very high	95.4	Very high	52 Å²	52	25.3 Å²	25.3	34%	0.338	12%	0.118	S	C	.	.	H	α-helix	trans	-64	-37.5	-172.4	25.6	-34.9	0	0	0	113.3	S30 E32 R38 E86	S30-P34 VanDerWaalsContact O-CA 3.31Å; S30-P34 WeakPolarHBondContact O-CA 3.29Å; S30-P34 WeakPolarHBondContact O-CB 3.33Å; E32-P34 VanDerWaalsContact C-CD 3.48Å; E32-P34 WeakPolarHBondContact O-CD 3.28Å; P34-R38 WeakPolarHBondContact O-CB 3.44Å; P34-R38 PolarHBondContact O-N 2.88Å; P34-E86 WeakPolarHBondContact CD-OE2 3.38Å
35	K	94.4	Very high	95.1	Very high	85 Å²	85	29.5 Å²	29.5	37%	0.37	14%	0.139	S	C	.	.	H	α-helix	trans	-73.6	-42.3	-177.9	-69.9	-173.6	178.9	-170.3	0	111.6	A33 N39 Y79 F83 K84 E86	A33-K35 PolarHBondContact O-N 2.93Å; K35-N39 VanDerWaalsContact O-CB 3.31Å; K35-N39 WeakPolarHBondContact O-CB 3.32Å; K35-N39 PolarHBondContact O-N 2.93Å; K35-Y79 PolarHBondContact O-OH 3.21Å; K35-F83 HydrophobicContact CB-CD2 4.12Å; K35-F83 HydrophobicContact CB-CE2 4.47Å; K35-K84 HydrophobicContact CD-CD 4.37Å; K35-K84 HydrophobicContact CD-CG 3.96Å; K35-E86 WeakPolarHBondContact CB-OE1 3.33Å; K35-E86 VanDerWaalsContact CG-OE1 3.32Å; K35-E86 WeakPolarHBondContact CG-OE1 3.45Å; K35-E86 PolarHBondContact N-OE2 3.4Å
36	A	95.6	Very high	94.9	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.4	-46.4	176.6	0	0	0	0	0	111.2	A33 R38 N39 F40 F83 M101 T128 F130	A33-A36 HydrophobicContact CB-CB 4.29Å; A36-R38 PolarHBondContact O-N 2.89Å; A36-N39 PolarHBondContact O-N 3.07Å; A36-F40 WeakPolarHBondContact O-CB 3.43Å; A36-F40 PolarHBondContact O-N 3.45Å; A36-F83 HydrophobicContact CB-CE2 3.95Å; A36-F83 HydrophobicContact CB-CZ 4.13Å; A36-M101 HydrophobicContact CB-CG 4.09Å; A36-T128 HydrophobicContact CB-CG2 3.86Å; A36-F130 HydrophobicContact CB-CB 3.7Å; A36-F130 HydrophobicContact CB-CD1 4.41Å; A36-F130 HydrophobicContact CB-CG 4.14Å
37	C	95.6	Very high	94.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-62.6	-43.3	177.9	-67.2	0	0	0	0	111.9	W29 A33 F40 V41 F130 F171	W29-C37 VanDerWaalsContact C-SG 3.54Å; W29-C37 PolarHBondContact O-SG 3.31Å; A33-C37 WeakPolarHBondContact O-CB 3.25Å; A33-C37 PolarHBondContact O-N 2.9Å; A33-C37 PolarHBondContact O-SG 3.3Å; C37-F40 PolarHBondContact O-N 2.95Å; C37-V41 WeakPolarHBondContact O-CB 3.28Å; C37-V41 VanDerWaalsContact O-CG2 3.3Å; C37-V41 WeakPolarHBondContact O-CG2 3.2Å; C37-V41 PolarHBondContact O-N 3.34Å; C37-F130 PolarHBondContact SG-O 3.3Å; C37-F130 VanDerWaalsContact SG-O 3.42Å; C37-F171 HydrophobicContact CB-CE2 4.04Å; C37-F171 HydrophobicContact CB-CZ 4.44Å
38	R	94.9	Very high	94.5	Very high	74 Å²	74	29.9 Å²	29.9	28%	0.279	15%	0.145	S	C	.	.	H	α-helix	trans	-62.7	-44.8	177.4	-177.4	172.2	-178	150.2	8	111.9	P34 A36 Q42 I78 F171 D173 I174	P34-R38 WeakPolarHBondContact O-CB 3.44Å; P34-R38 PolarHBondContact O-N 2.88Å; A36-R38 PolarHBondContact O-N 2.89Å; R38-Q42 VanDerWaalsContact O-CB 3.3Å; R38-Q42 WeakPolarHBondContact O-CB 3.18Å; R38-Q42 PolarHBondContact O-N 3.05Å; R38-I78 HydrophobicContact CG-CD1 4.17Å; R38-F171 HydrophobicContact CB-CD2 4.45Å; R38-F171 HydrophobicContact CB-CE2 4.15Å; R38-F171 HydrophobicContact CB-CZ 4.41Å; R38-D173 IonicContact CZ-OD1 3.6Å; R38-D173 IonicContact CZ-OD2 3.1Å; R38-D173 IonicContact NH1-OD1 3.56Å; R38-D173 IonicContact NH1-OD2 2.73Å; R38-D173 PolarHBondContact NH1-OD2 2.91Å; R38-D173 IonicContact NH2-OD1 3.51Å; R38-D173 IonicContact NH2-OD2 2.74Å; R38-D173 PolarHBondContact NH2-OD2 2.92Å; R38-I174 HydrophobicContact CG-CD1 4.07Å; R38-I174 HydrophobicContact CG-CG1 4.26Å
39	N	95.2	Very high	94.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.1	-48.8	174.7	-179.8	63.5	0	0	0	111.2	K35 A36 L43 S77 I78 Y79 F83 G110	K35-N39 VanDerWaalsContact O-CB 3.31Å; K35-N39 WeakPolarHBondContact O-CB 3.32Å; K35-N39 PolarHBondContact O-N 2.93Å; A36-N39 PolarHBondContact O-N 3.07Å; N39-L43 WeakPolarHBondContact O-CB 3.28Å; N39-L43 VanDerWaalsContact O-CG 3.22Å; N39-L43 WeakPolarHBondContact O-CG 3.34Å; N39-L43 PolarHBondContact O-N 2.91Å; N39-S77 WeakPolarHBondContact OD1-CA 3.48Å; N39-I78 HydrophobicContact CB-CD1 4.37Å; N39-I78 HydrophobicContact CB-CG1 4.21Å; N39-I78 WeakPolarHBondContact OD1-CG1 3.15Å; N39-I78 PolarHBondContact OD1-N 2.94Å; N39-Y79 HydrophobicContact CB-CE2 4.27Å; N39-F83 HydrophobicContact CB-CE1 4.11Å; N39-F83 HydrophobicContact CB-CZ 4.39Å; N39-F83 WeakPolarHBondContact ND2-CE1 3.26Å; N39-G110 PolarHBondContact ND2-O 2.79Å
40	F	95.8	Very high	94.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.4	-51.1	-179.4	-175.4	-105.2	0	0	0	112.6	V15 L17 I26 L28 A36 C37 Q42 L43 C44 Y49 F113 F130	V15-F40 HydrophobicContact CB-CE1 3.95Å; V15-F40 HydrophobicContact CG1-CE1 3.89Å; V15-F40 HydrophobicContact CG1-CZ 4.42Å; V15-F40 HydrophobicContact CG2-CD1 4.32Å; V15-F40 HydrophobicContact CG2-CE1 4.01Å; L17-F40 HydrophobicContact CD1-CZ 4.36Å; L17-F40 HydrophobicContact CD2-CZ 4.4Å; I26-F40 HydrophobicContact CD1-CE1 4.45Å; I26-F40 HydrophobicContact CD1-CZ 3.98Å; L28-F40 HydrophobicContact CD1-CD1 4.25Å; L28-F40 HydrophobicContact CD2-CD1 3.98Å; L28-F40 HydrophobicContact CD2-CE1 4.25Å; A36-F40 WeakPolarHBondContact O-CB 3.43Å; A36-F40 PolarHBondContact O-N 3.45Å; C37-F40 PolarHBondContact O-N 2.95Å; F40-Q42 VanDerWaalsContact C-N 3.34Å; F40-Q42 PolarHBondContact O-N 2.98Å; F40-L43 PolarHBondContact O-N 3.49Å; F40-C44 PolarHBondContact O-N 3.31Å; F40-C44 PolarHBondContact O-SG 2.94Å; F40-Y49 AromaticContact CD2-CE2 3.78Å; F40-Y49 HydrophobicContact CD2-CE2 3.78Å; F40-Y49 HydrophobicContact CE2-CD2 4.46Å; F40-Y49 AromaticContact CE2-CE2 3.81Å; F40-Y49 HydrophobicContact CE2-CE2 3.81Å; F40-F113 HydrophobicContact CD2-CD1 4.47Å; F40-F113 HydrophobicContact CE2-CD1 4.13Å; F40-F113 AromaticContact CE2-CE1 3.91Å; F40-F113 HydrophobicContact CE2-CE1 3.91Å; F40-F113 HydrophobicContact CE2-CZ 4.21Å; F40-F130 HydrophobicContact CB-CE2 3.99Å; F40-F130 HydrophobicContact CB-CZ 4.49Å; F40-F130 AromaticContact CD1-CE2 3.94Å; F40-F130 HydrophobicContact CD1-CE2 3.94Å; F40-F130 AromaticContact CD2-CE2 3.98Å; F40-F130 HydrophobicContact CD2-CE2 3.98Å; F40-F130 AromaticContact CD2-CZ 3.95Å; F40-F130 HydrophobicContact CD2-CZ 3.95Å; F40-F130 HydrophobicContact CE1-CE2 4.41Å; F40-F130 HydrophobicContact CE2-CE2 4.47Å; F40-F130 HydrophobicContact CE2-CZ 4.35Å; F40-F130 AromaticContact CG-CE2 3.69Å; F40-F130 HydrophobicContact CG-CE2 3.69Å; F40-F130 HydrophobicContact CG-CZ 4.13Å
41	V	95.1	Very high	94.2	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-59.5	-45.4	179.8	171.6	0	0	0	0	110.9	V15 L28 C37 C44 M45 V166 I174	V15-V41 HydrophobicContact CG2-CG2 4.3Å; L28-V41 HydrophobicContact CD1-CG2 3.51Å; C37-V41 WeakPolarHBondContact O-CB 3.28Å; C37-V41 VanDerWaalsContact O-CG2 3.3Å; C37-V41 WeakPolarHBondContact O-CG2 3.2Å; C37-V41 PolarHBondContact O-N 3.34Å; V41-C44 WeakPolarHBondContact O-CB 3.46Å; V41-C44 PolarHBondContact O-N 2.89Å; V41-M45 HydrophobicContact CG1-SD 4.14Å; V41-M45 WeakPolarHBondContact O-CG 3.44Å; V41-M45 PolarHBondContact O-N 3.35Å; V41-V166 HydrophobicContact CG1-CG1 4.12Å; V41-V166 HydrophobicContact CG1-CG2 4.18Å; V41-I174 HydrophobicContact CB-CD1 4.09Å; V41-I174 HydrophobicContact CG1-CD1 3.76Å
42	Q	94.4	Very high	94.2	Very high	19 Å²	19	27.2 Å²	27.2	9%	0.089	15%	0.149	C	C	.	.	H	α-helix	trans	-65.7	-41.6	179.6	-175.7	174.6	-26.1	0	0	112.1	R38 F40 C44 M45 E46 I78 I174	R38-Q42 VanDerWaalsContact O-CB 3.3Å; R38-Q42 WeakPolarHBondContact O-CB 3.18Å; R38-Q42 PolarHBondContact O-N 3.05Å; F40-Q42 VanDerWaalsContact C-N 3.34Å; F40-Q42 PolarHBondContact O-N 2.98Å; Q42-C44 VanDerWaalsContact C-N 3.3Å; Q42-C44 PolarHBondContact O-N 3.21Å; Q42-M45 PolarHBondContact O-N 3.5Å; Q42-E46 HydrophobicContact CG-CG 4.46Å; Q42-E46 PolarHBondContact NE2-OE1 3.41Å; Q42-E46 WeakPolarHBondContact O-CB 3.45Å; Q42-E46 WeakPolarHBondContact O-CG 3.47Å; Q42-E46 PolarHBondContact O-N 3.39Å; Q42-I78 HydrophobicContact CB-CD1 4.12Å; Q42-I78 HydrophobicContact CB-CG2 3.93Å; Q42-I78 HydrophobicContact CG-CD1 4.45Å; Q42-I78 HydrophobicContact CG-CG2 3.86Å; Q42-I174 HydrophobicContact CB-CG2 3.67Å; Q42-I174 HydrophobicContact CG-CG2 3.76Å
43	L	94.3	Very high	94.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-35.3	175.4	-71	173.5	0	0	0	112.2	N39 F40 E46 G47 Y48 Y49 I78	N39-L43 WeakPolarHBondContact O-CB 3.28Å; N39-L43 VanDerWaalsContact O-CG 3.22Å; N39-L43 WeakPolarHBondContact O-CG 3.34Å; N39-L43 PolarHBondContact O-N 2.91Å; F40-L43 PolarHBondContact O-N 3.49Å; L43-E46 PolarHBondContact O-N 3.33Å; L43-G47 PolarHBondContact O-N 3.38Å; L43-Y48 HydrophobicContact CD1-CD1 4.49Å; L43-Y48 HydrophobicContact CD2-CD1 3.99Å; L43-Y48 HydrophobicContact CD2-CD2 4.03Å; L43-Y48 HydrophobicContact CD2-CE1 4.49Å; L43-Y48 HydrophobicContact CD2-CG 3.71Å; L43-Y48 VanDerWaalsContact O-CB 3.29Å; L43-Y48 WeakPolarHBondContact O-CB 3.22Å; L43-Y48 PolarHBondContact O-N 3.26Å; L43-Y49 HydrophobicContact CB-CD2 4.24Å; L43-Y49 HydrophobicContact CB-CE2 3.62Å; L43-Y49 HydrophobicContact CD1-CE2 4.35Å; L43-Y49 WeakPolarHBondContact CD1-OH 3.38Å; L43-I78 HydrophobicContact CD2-CG2 3.81Å; L43-I78 HydrophobicContact CG-CG2 3.79Å
44	C	94	Very high	94.3	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.02	15%	0.146	C	C	.	.	H	α-helix	trans	-63.6	-45.8	171.6	-67.7	0	0	0	0	111.7	V15 F40 V41 Q42 E46 G47 A164 V166	V15-C44 HydrophobicContact CG1-CB 4.39Å; F40-C44 PolarHBondContact O-N 3.31Å; F40-C44 PolarHBondContact O-SG 2.94Å; V41-C44 WeakPolarHBondContact O-CB 3.46Å; V41-C44 PolarHBondContact O-N 2.89Å; Q42-C44 VanDerWaalsContact C-N 3.3Å; Q42-C44 PolarHBondContact O-N 3.21Å; C44-E46 VanDerWaalsContact C-N 3.29Å; C44-E46 PolarHBondContact O-N 3.03Å; C44-G47 PolarHBondContact O-N 3.45Å; C44-G47 VanDerWaalsContact O-N 3.11Å; C44-A164 HydrophobicContact CB-CB 3.9Å; C44-V166 HydrophobicContact CB-CG2 3.93Å
45	M	92	Very high	94.3	Very high	89 Å²	89	24.7 Å²	24.7	44%	0.438	13%	0.133	S	C	.	.	H	α-helix	trans	-65.7	-31	177.3	-65.5	176	80.9	0	0	113.1	V41 Q42 G47 V166 I174 P176	V41-M45 HydrophobicContact CG1-SD 4.14Å; V41-M45 WeakPolarHBondContact O-CG 3.44Å; V41-M45 PolarHBondContact O-N 3.35Å; Q42-M45 PolarHBondContact O-N 3.5Å; M45-G47 PolarHBondContact O-N 2.96Å; M45-V166 HydrophobicContact CG-CG2 3.81Å; M45-I174 HydrophobicContact SD-CB 4.47Å; M45-I174 HydrophobicContact SD-CG2 3.84Å; M45-P176 HydrophobicContact CB-CB 4.39Å; M45-P176 HydrophobicContact CB-CG 3.8Å; M45-P176 HydrophobicContact CE-CG 3.91Å; M45-P176 HydrophobicContact SD-CG 4.39Å
46	E	91.3	Very high	94.3	Very high	18 Å²	18	24.9 Å²	24.9	8%	0.084	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-6.6	175.4	-73.1	177.1	-172.2	0	0	113	Q42 L43 C44 Y48 P176 R177 T179	Q42-E46 HydrophobicContact CG-CG 4.46Å; Q42-E46 PolarHBondContact NE2-OE1 3.41Å; Q42-E46 WeakPolarHBondContact O-CB 3.45Å; Q42-E46 WeakPolarHBondContact O-CG 3.47Å; Q42-E46 PolarHBondContact O-N 3.39Å; L43-E46 PolarHBondContact O-N 3.33Å; C44-E46 VanDerWaalsContact C-N 3.29Å; C44-E46 PolarHBondContact O-N 3.03Å; E46-Y48 PolarHBondContact O-N 3.37Å; E46-P176 HydrophobicContact CG-CB 3.95Å; E46-R177 VanDerWaalsContact OE1-CB 3.27Å; E46-R177 WeakPolarHBondContact OE1-CB 3.16Å; E46-R177 WeakPolarHBondContact OE1-CG 3.49Å; E46-R177 IonicContact OE1-CZ 3.75Å; E46-R177 PolarHBondContact OE1-N 3.42Å; E46-R177 IonicContact OE1-NE 2.91Å; E46-R177 PolarHBondContact OE1-NE 2.92Å; E46-R177 IonicContact OE1-NH2 3.69Å; E46-R177 IonicContact OE2-CZ 3.6Å; E46-R177 IonicContact OE2-NE 3.4Å; E46-R177 PolarHBondContact OE2-NE 3.5Å; E46-R177 IonicContact OE2-NH2 2.89Å; E46-R177 PolarHBondContact OE2-NH2 2.9Å; E46-T179 HydrophobicContact CB-CG2 4.06Å
47	G	91.8	Very high	94.2	Very high	26 Å²	26	25.1 Å²	25.1	27%	0.268	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.6	23.3	-172.4	0	0	0	0	0	112.6	L43 C44 M45 Y49 D50	L43-G47 PolarHBondContact O-N 3.38Å; C44-G47 PolarHBondContact O-N 3.45Å; C44-G47 VanDerWaalsContact O-N 3.11Å; M45-G47 PolarHBondContact O-N 2.96Å; G47-Y49 VanDerWaalsContact C-N 3.27Å; G47-Y49 PolarHBondContact O-N 2.84Å; G47-D50 WeakPolarHBondContact CA-OD2 3.46Å; G47-D50 WeakPolarHBondContact O-CB 3.48Å; G47-D50 PolarHBondContact O-N 3.2Å
48	Y	93.8	Very high	94.1	Very high	47 Å²	47	26.7 Å²	26.7	18%	0.184	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-34.2	-174.6	-176.6	-93	0	0	0	112.3	L43 E46 D50 P68 E76	L43-Y48 HydrophobicContact CD1-CD1 4.49Å; L43-Y48 HydrophobicContact CD2-CD1 3.99Å; L43-Y48 HydrophobicContact CD2-CD2 4.03Å; L43-Y48 HydrophobicContact CD2-CE1 4.49Å; L43-Y48 HydrophobicContact CD2-CG 3.71Å; L43-Y48 VanDerWaalsContact O-CB 3.29Å; L43-Y48 WeakPolarHBondContact O-CB 3.22Å; L43-Y48 PolarHBondContact O-N 3.26Å; E46-Y48 PolarHBondContact O-N 3.37Å; Y48-D50 VanDerWaalsContact C-N 3.29Å; Y48-P68 HydrophobicContact CE1-CB 4.46Å; Y48-P68 HydrophobicContact CE1-CG 4.09Å; Y48-P68 HydrophobicContact CE2-CG 4.42Å; Y48-P68 WeakPolarHBondContact OH-CD 3.48Å; Y48-P68 VanDerWaalsContact OH-CG 3.29Å; Y48-P68 WeakPolarHBondContact OH-CG 3.32Å; Y48-E76 PolarHBondContact OH-N 3.2Å
49	Y	95.3	Very high	93.9	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-3.8	179.9	-63.9	-54.6	0	0	0	113.8	F40 L43 G47 G51 T52 S111 F113 I161	F40-Y49 AromaticContact CD2-CE2 3.78Å; F40-Y49 HydrophobicContact CD2-CE2 3.78Å; F40-Y49 HydrophobicContact CE2-CD2 4.46Å; F40-Y49 AromaticContact CE2-CE2 3.81Å; F40-Y49 HydrophobicContact CE2-CE2 3.81Å; L43-Y49 HydrophobicContact CB-CD2 4.24Å; L43-Y49 HydrophobicContact CB-CE2 3.62Å; L43-Y49 HydrophobicContact CD1-CE2 4.35Å; L43-Y49 WeakPolarHBondContact CD1-OH 3.38Å; G47-Y49 VanDerWaalsContact C-N 3.27Å; G47-Y49 PolarHBondContact O-N 2.84Å; Y49-G51 PolarHBondContact O-N 3.4Å; Y49-T52 WeakPolarHBondContact O-CB 3.34Å; Y49-T52 WeakPolarHBondContact O-CG2 3.44Å; Y49-T52 PolarHBondContact O-N 2.88Å; Y49-T52 VanDerWaalsContact O-N 3.1Å; Y49-T52 PolarHBondContact O-OG1 3.1Å; Y49-S111 WeakPolarHBondContact CE1-O 3.26Å; Y49-S111 PolarHBondContact OH-O 3.03Å; Y49-F113 HydrophobicContact CD1-CE1 4.11Å; Y49-F113 HydrophobicContact CE1-CD1 4.14Å; Y49-F113 AromaticContact CE1-CE1 3.72Å; Y49-F113 HydrophobicContact CE1-CE1 3.72Å; Y49-F113 HydrophobicContact CE2-CE1 4.3Å; Y49-F113 AromaticContact CZ-CE1 3.81Å; Y49-I161 WeakPolarHBondContact O-CB 3.28Å
50	D	93.9	Very high	93.6	Very high	65 Å²	65	34.1 Å²	34.1	35%	0.348	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	124.2	-177.8	-62.9	-8.7	0	0	0	110.8	G47 Y48 T52 T163 A164	G47-D50 WeakPolarHBondContact CA-OD2 3.46Å; G47-D50 WeakPolarHBondContact O-CB 3.48Å; G47-D50 PolarHBondContact O-N 3.2Å; Y48-D50 VanDerWaalsContact C-N 3.29Å; D50-T52 PolarHBondContact O-N 3.1Å; D50-T163 WeakPolarHBondContact OD1-CA 3.11Å; D50-A164 PolarHBondContact OD1-N 2.91Å
51	G	92.3	Very high	93.4	Very high	45 Å²	45	36.2 Å²	36.2	46%	0.464	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	2.1	-176	0	0	0	0	0	115.1	Y49 I161	Y49-G51 PolarHBondContact O-N 3.4Å; G51-I161 VanDerWaalsContact CA-O 3.24Å; G51-I161 WeakPolarHBondContact CA-O 3.41Å; G51-I161 PolarHBondContact N-O 3.25Å
52	T	95.2	Very high	93.4	Very high	7 Å²	7	36.7 Å²	36.7	4%	0.043	20%	0.195	C	C	.	.			trans	-71.3	147.9	178.6	63.5	0	0	0	0	111.7	Y49 D50 P68 K160 I161	Y49-T52 WeakPolarHBondContact O-CB 3.34Å; Y49-T52 WeakPolarHBondContact O-CG2 3.44Å; Y49-T52 PolarHBondContact O-N 2.88Å; Y49-T52 VanDerWaalsContact O-N 3.1Å; Y49-T52 PolarHBondContact O-OG1 3.1Å; D50-T52 PolarHBondContact O-N 3.1Å; T52-P68 HydrophobicContact CG2-CB 4.47Å; T52-K160 CarbonylContact O-C 3.54Å; T52-K160 WeakPolarHBondContact O-CA 3.31Å; T52-K160 WeakPolarHBondContact O-CB 3.42Å; T52-I161 PolarHBondContact O-N 2.97Å
53	I	95.3	Very high	93.5	Very high	23 Å²	23	35.8 Å²	35.8	12%	0.118	19%	0.191	C	C	.	.	B	Isolated β-bridge	trans	-104.7	153.7	-175.3	73.6	174	0	0	0	111.5	H55 P158 H159 K160	I53-H55 HydrophobicContact CD1-CB 4.25Å; I53-H55 HydrophobicContact CG1-CB 4.15Å; I53-H55 PolarHBondContact O-N 3.44Å; I53-P158 HydrophobicContact CB-CB 4.21Å; I53-P158 HydrophobicContact CB-CG 4.43Å; I53-P158 HydrophobicContact CD1-CB 4.34Å; I53-P158 HydrophobicContact CD1-CG 4.07Å; I53-H159 WeakPolarHBondContact CA-O 3.36Å; I53-K160 HydrophobicContact CB-CG 4.48Å; I53-K160 HydrophobicContact CG2-CD 3.76Å; I53-K160 HydrophobicContact CG2-CG 3.75Å
54	F	95.6	Very high	93.5	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.018	20%	0.196	C	C	.	.			trans	-83.1	100.9	162.7	-62.4	-72.6	0	0	0	108.5	T19 I63 Q64 F115 L144 P158 H159 I161	T19-F54 HydrophobicContact CG2-CE2 4.15Å; T19-F54 HydrophobicContact CG2-CZ 4.34Å; F54-I63 HydrophobicContact CB-CG2 4.07Å; F54-I63 HydrophobicContact CD1-CG2 3.68Å; F54-I63 HydrophobicContact CE1-CG2 4.39Å; F54-I63 HydrophobicContact CG-CG2 3.97Å; F54-Q64 WeakPolarHBondContact CA-O 3.27Å; F54-F115 HydrophobicContact CE1-CD2 4.25Å; F54-F115 AromaticContact CE1-CE2 3.8Å; F54-F115 HydrophobicContact CE1-CE2 3.8Å; F54-F115 HydrophobicContact CZ-CE2 4.08Å; F54-L144 HydrophobicContact CD2-CD1 4.34Å; F54-L144 HydrophobicContact CD2-CD2 3.97Å; F54-L144 HydrophobicContact CE2-CD1 3.82Å; F54-L144 HydrophobicContact CE2-CD2 3.89Å; F54-L144 HydrophobicContact CZ-CD1 4.01Å; F54-P158 WeakPolarHBondContact O-CB 3.47Å; F54-H159 HydrophobicContact CD2-CB 3.88Å; F54-H159 PolarHBondContact N-O 3.22Å; F54-I161 HydrophobicContact CE2-CG1 4.03Å; F54-I161 HydrophobicContact CZ-CD1 4.05Å; F54-I161 HydrophobicContact CZ-CG1 3.82Å
55	H	93.9	Very high	93.6	Very high	13 Å²	13	36.6 Å²	36.6	6%	0.06	20%	0.195	C	C	.	.			trans	-88.7	-17.2	-169.5	60.6	-92	0	0	0	113.2	I53 Q64 G72 R154 P155	I53-H55 HydrophobicContact CD1-CB 4.25Å; I53-H55 HydrophobicContact CG1-CB 4.15Å; I53-H55 PolarHBondContact O-N 3.44Å; H55-Q64 PolarHBondContact N-O 3.07Å; H55-G72 VanDerWaalsContact CD2-CA 3.49Å; H55-G72 WeakPolarHBondContact CD2-CA 3.35Å; H55-G72 VanDerWaalsContact NE2-CA 3.31Å; H55-G72 WeakPolarHBondContact NE2-CA 3.46Å; H55-R154 WeakPolarHBondContact O-CA 3.22Å; H55-P155 WeakPolarHBondContact O-CD 3.49Å
56	R	94.6	Very high	93.6	Very high	89 Å²	89	32.4 Å²	32.4	34%	0.336	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	127.6	179.6	177.6	-170.9	-169.3	-169.8	3.1	110.5	V58 Q64 E153	R56-V58 HydrophobicContact CG-CG2 4.45Å; R56-Q64 HydrophobicContact CB-CB 4.15Å; R56-Q64 VanDerWaalsContact CD-OE1 3.3Å; R56-Q64 PolarHBondContact O-N 3.43Å; R56-E153 CarbonylContact C-O 3.57Å; R56-E153 VanDerWaalsContact CA-O 3.31Å; R56-E153 WeakPolarHBondContact CA-O 3.49Å; R56-E153 HydrophobicContact CG-CB 4.05Å; R56-E153 IonicContact CZ-OE2 3.5Å; R56-E153 IonicContact NE-OE2 2.79Å; R56-E153 PolarHBondContact NE-OE2 2.96Å; R56-E153 IonicContact NH2-OE1 3.16Å; R56-E153 IonicContact NH2-OE2 2.92Å; R56-E153 PolarHBondContact NH2-OE2 2.99Å
57	V	94.4	Very high	93.7	Very high	6 Å²	6	31.5 Å²	31.5	4%	0.036	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	119.8	178	174.8	0	0	0	0	108	I63 E153 P155	V57-I63 HydrophobicContact CG1-CG1 4.29Å; V57-I63 HydrophobicContact CG2-CG1 4.35Å; V57-I63 HydrophobicContact CG2-CG2 4.19Å; V57-E153 PolarHBondContact N-O 3.47Å; V57-P155 HydrophobicContact CB-CG 3.98Å; V57-P155 HydrophobicContact CG2-CG 3.49Å; V57-P155 VanDerWaalsContact CG2-CG 3.49Å
58	V	92.8	Very high	93.7	Very high	33 Å²	33	32.8 Å²	32.8	20%	0.2	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	112.4	172.9	-175	0	0	0	0	107	R56 D60 F61 I62 E153	R56-V58 HydrophobicContact CG-CG2 4.45Å; V58-D60 PolarHBondContact O-N 3.25Å; V58-F61 HydrophobicContact CB-CB 4.04Å; V58-F61 HydrophobicContact CB-CD1 4.36Å; V58-F61 HydrophobicContact CG1-CB 3.73Å; V58-F61 HydrophobicContact CG1-CD1 4.26Å; V58-F61 HydrophobicContact CG1-CG 4.44Å; V58-F61 PolarHBondContact O-N 3.28Å; V58-I62 HydrophobicContact CB-CG1 4.43Å; V58-I62 HydrophobicContact CG2-CG1 4.41Å; V58-I62 PolarHBondContact N-O 3.06Å; V58-I62 PolarHBondContact O-N 3.21Å; V58-I62 VanDerWaalsContact O-N 3.17Å; V58-E153 HydrophobicContact CG2-CB 4.37Å; V58-E153 HydrophobicContact CG2-CG 4.28Å; V58-E153 WeakPolarHBondContact CG2-OE2 3.42Å
59	Q	90.1	Very high	93.5	Very high	110 Å²	110	34.9 Å²	34.9	51%	0.514	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	135.4	-177.5	-164.1	66.2	17.6	0	0	110.5	F61 A145	Q59-F61 PolarHBondContact O-N 2.72Å; Q59-A145 PolarHBondContact OE1-O 3.45Å; Q59-A145 VanDerWaalsContact OE1-O 3.12Å
60	D	88.9	Confident	93.2	Very high	120 Å²	120	35 Å²	35	64%	0.642	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	3.3	-178.7	-56.6	-37.7	0	0	0	116.4	V58 G118	V58-D60 PolarHBondContact O-N 3.25Å; D60-G118 WeakPolarHBondContact O-CA 3.07Å; D60-G118 PolarHBondContact O-N 2.92Å
61	F	93.2	Very high	93	Very high	43 Å²	43	36 Å²	36	19%	0.189	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-80.2	-179.9	-169.6	-122.3	0	0	0	112	V58 Q59 L117 A120 E122 L123	V58-F61 HydrophobicContact CB-CB 4.04Å; V58-F61 HydrophobicContact CB-CD1 4.36Å; V58-F61 HydrophobicContact CG1-CB 3.73Å; V58-F61 HydrophobicContact CG1-CD1 4.26Å; V58-F61 HydrophobicContact CG1-CG 4.44Å; V58-F61 PolarHBondContact O-N 3.28Å; Q59-F61 PolarHBondContact O-N 2.72Å; F61-L117 PolarHBondContact O-N 3.14Å; F61-A120 HydrophobicContact CD2-CB 4.2Å; F61-A120 HydrophobicContact CE2-CB 3.61Å; F61-A120 HydrophobicContact CZ-CB 4.35Å; F61-E122 HydrophobicContact CE2-CG 4.29Å; F61-E122 WeakPolarHBondContact CE2-OE1 3.45Å; F61-E122 HydrophobicContact CZ-CG 4.25Å; F61-E122 WeakPolarHBondContact CZ-OE1 3.49Å; F61-L123 HydrophobicContact CE1-CD1 4.39Å; F61-L123 HydrophobicContact CE2-CD1 4.35Å; F61-L123 HydrophobicContact CZ-CD1 3.76Å; F61-L123 HydrophobicContact CZ-CD2 4.1Å; F61-L123 HydrophobicContact CZ-CG 3.94Å
62	I	95	Very high	92.7	Very high	10 Å²	10	34.9 Å²	34.9	5%	0.051	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	152.4	-174.5	67	178.7	0	0	0	113.6	V58 F114 F115 L123	V58-I62 HydrophobicContact CB-CG1 4.43Å; V58-I62 HydrophobicContact CG2-CG1 4.41Å; V58-I62 PolarHBondContact N-O 3.06Å; V58-I62 PolarHBondContact O-N 3.21Å; V58-I62 VanDerWaalsContact O-N 3.17Å; I62-F114 HydrophobicContact CB-CB 4.43Å; I62-F114 HydrophobicContact CB-CD2 3.98Å; I62-F114 HydrophobicContact CB-CG 4.48Å; I62-F114 HydrophobicContact CG2-CD2 3.59Å; I62-F114 HydrophobicContact CG2-CE2 3.88Å; I62-F114 HydrophobicContact CG2-CG 4.47Å; I62-F115 CarbonylContact C-O 3.59Å; I62-F115 VanDerWaalsContact CA-O 3.22Å; I62-F115 WeakPolarHBondContact CA-O 3.49Å; I62-L123 HydrophobicContact CG2-CD1 4.22Å
63	I	95.5	Very high	92.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	118	166.4	-61.8	178.7	0	0	0	107.7	F54 V57 F114 F115 L117 L141 L144 A145	F54-I63 HydrophobicContact CB-CG2 4.07Å; F54-I63 HydrophobicContact CD1-CG2 3.68Å; F54-I63 HydrophobicContact CE1-CG2 4.39Å; F54-I63 HydrophobicContact CG-CG2 3.97Å; V57-I63 HydrophobicContact CG1-CG1 4.29Å; V57-I63 HydrophobicContact CG2-CG1 4.35Å; V57-I63 HydrophobicContact CG2-CG2 4.19Å; I63-F114 CarbonylContact O-C 3.44Å; I63-F114 WeakPolarHBondContact O-CA 3.2Å; I63-F114 VanDerWaalsContact O-CB 3.28Å; I63-F114 WeakPolarHBondContact O-CB 3.44Å; I63-F115 HydrophobicContact CB-CB 4.44Å; I63-F115 PolarHBondContact N-O 2.98Å; I63-F115 PolarHBondContact O-N 3.15Å; I63-L117 HydrophobicContact CD1-CD1 4Å; I63-L117 HydrophobicContact CD1-CD2 3.76Å; I63-L117 HydrophobicContact CD1-CG 4.13Å; I63-L117 HydrophobicContact CG1-CD1 3.75Å; I63-L117 HydrophobicContact CG1-CD2 4.18Å; I63-L117 HydrophobicContact CG1-CG 3.98Å; I63-L141 HydrophobicContact CD1-CD1 4.1Å; I63-L144 HydrophobicContact CD1-CB 3.66Å; I63-A145 HydrophobicContact CD1-CB 3.96Å
64	Q	95.4	Very high	92	Very high	21 Å²	21	40.5 Å²	40.5	10%	0.098	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	136.6	-176.8	-176.2	179.3	-12.4	0	0	111.3	F54 H55 R56 A102 F114	F54-Q64 WeakPolarHBondContact CA-O 3.27Å; H55-Q64 PolarHBondContact N-O 3.07Å; R56-Q64 HydrophobicContact CB-CB 4.15Å; R56-Q64 VanDerWaalsContact CD-OE1 3.3Å; R56-Q64 PolarHBondContact O-N 3.43Å; Q64-A102 HydrophobicContact CG-CB 4.41Å; Q64-F114 HydrophobicContact CB-CB 4.07Å; Q64-F114 HydrophobicContact CG-CB 4.42Å
65	G	95.1	Very high	91.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	-164.5	-178.9	0	0	0	0	0	112	Q112 F113	G65-Q112 WeakPolarHBondContact O-CA 3.46Å; G65-F113 PolarHBondContact N-O 3.03Å; G65-F113 PolarHBondContact O-N 3.31Å; G65-F113 VanDerWaalsContact O-O 3.07Å
66	G	92.7	Very high	91.7	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.271	C	S	.	.			trans	80.5	15.8	178.7	0	0	0	0	0	115.1	S111	G66-S111 CarbonylContact O-C 3.37Å; G66-S111 PolarHBondContact O-OG 3.09Å
67	D	93.3	Very high	91.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-99.1	118.2	170	-179.9	11.4	0	0	0	110.1	T69 G70 T71 G72 G74 Q112	D67-T69 VanDerWaalsContact C-N 3.3Å; D67-T69 PolarHBondContact O-N 2.79Å; D67-T69 PolarHBondContact OD1-N 3.1Å; D67-T69 PolarHBondContact OD1-OG1 3.31Å; D67-T69 PolarHBondContact OD2-OG1 3.34Å; D67-G70 PolarHBondContact O-N 3.49Å; D67-G70 PolarHBondContact OD2-N 3.36Å; D67-G70 VanDerWaalsContact OD2-N 3.15Å; D67-T71 PolarHBondContact OD2-N 3.09Å; D67-T71 PolarHBondContact OD2-OG1 3.22Å; D67-G72 WeakPolarHBondContact OD2-CA 3.29Å; D67-G72 PolarHBondContact OD2-N 3.29Å; D67-G74 VanDerWaalsContact OD1-C 3.31Å; D67-G74 VanDerWaalsContact OD1-CA 3.28Å; D67-G74 WeakPolarHBondContact OD1-CA 3.43Å; D67-Q112 HydrophobicContact CB-CG 4.2Å
68	P	91	Very high	91.6	Very high	53 Å²	53	44.3 Å²	44.3	34%	0.344	26%	0.258	S	S	.	.	S	Bend	trans	-69.3	-23.5	176	32.8	-40.6	0	0	0	114.1	Y48 T52	Y48-P68 HydrophobicContact CE1-CB 4.46Å; Y48-P68 HydrophobicContact CE1-CG 4.09Å; Y48-P68 HydrophobicContact CE2-CG 4.42Å; Y48-P68 WeakPolarHBondContact OH-CD 3.48Å; Y48-P68 VanDerWaalsContact OH-CG 3.29Å; Y48-P68 WeakPolarHBondContact OH-CG 3.32Å; T52-P68 HydrophobicContact CG2-CB 4.47Å
69	T	90.8	Very high	91.6	Very high	90 Å²	90	46.9 Å²	46.9	55%	0.552	27%	0.265	S	S	*	.	S	Bend	trans	-85.2	-22.5	177.4	56	0	0	0	0	111.9	D67 T71	D67-T69 VanDerWaalsContact C-N 3.3Å; D67-T69 PolarHBondContact O-N 2.79Å; D67-T69 PolarHBondContact OD1-N 3.1Å; D67-T69 PolarHBondContact OD1-OG1 3.31Å; D67-T69 PolarHBondContact OD2-OG1 3.34Å; T69-T71 PolarHBondContact O-N 3.22Å; T69-T71 PolarHBondContact OG1-OG1 3.13Å
70	G	88.8	Confident	91.6	Very high	4 Å²	4	44.7 Å²	44.7	4%	0.041	27%	0.272	C	S	.	.	S	Bend	trans	67.5	21.7	-178.8	0	0	0	0	0	113.5	D67 R154	D67-G70 PolarHBondContact O-N 3.49Å; D67-G70 PolarHBondContact OD2-N 3.36Å; D67-G70 VanDerWaalsContact OD2-N 3.15Å; G70-R154 PolarHBondContact O-NH1 3.37Å
71	T	88.8	Confident	91.7	Very high	86 Å²	86	48 Å²	48	53%	0.528	28%	0.276	S	S	.	.	S	Bend	trans	-94.5	-22.2	177.1	53	0	0	0	0	111.7	D67 T69 T73	D67-T71 PolarHBondContact OD2-N 3.09Å; D67-T71 PolarHBondContact OD2-OG1 3.22Å; T69-T71 PolarHBondContact O-N 3.22Å; T69-T71 PolarHBondContact OG1-OG1 3.13Å; T71-T73 PolarHBondContact OG1-OG1 3.4Å; T71-T73 VanDerWaalsContact OG1-OG1 3.12Å
72	G	86.6	Confident	91.7	Very high	21 Å²	21	49.2 Å²	49.2	22%	0.216	29%	0.288	C	S	.	.	S	Bend	trans	90.6	-5.3	-175.1	0	0	0	0	0	114.2	H55 D67 Q112	H55-G72 VanDerWaalsContact CD2-CA 3.49Å; H55-G72 WeakPolarHBondContact CD2-CA 3.35Å; H55-G72 VanDerWaalsContact NE2-CA 3.31Å; H55-G72 WeakPolarHBondContact NE2-CA 3.46Å; D67-G72 WeakPolarHBondContact OD2-CA 3.29Å; D67-G72 PolarHBondContact OD2-N 3.29Å; G72-Q112 VanDerWaalsContact C-NE2 3.33Å; G72-Q112 PolarHBondContact O-NE2 3.49Å; G72-Q112 PolarHBondContact O-OE1 2.91Å
73	T	88.1	Confident	91.7	Very high	130 Å²	130	49.3 Å²	49.3	80%	0.798	29%	0.288	S	S	*	.	S	Bend	trans	-110.4	-10.4	179.2	52.3	0	0	0	0	113.3	T71	T71-T73 PolarHBondContact OG1-OG1 3.4Å; T71-T73 VanDerWaalsContact OG1-OG1 3.12Å
74	G	88.4	Confident	91.7	Very high	18 Å²	18	54 Å²	54	19%	0.186	31%	0.309	C	S	.	.			trans	-87.4	179.5	-178.2	0	0	0	0	0	113.3	D67 Q112	D67-G74 VanDerWaalsContact OD1-C 3.31Å; D67-G74 VanDerWaalsContact OD1-CA 3.28Å; D67-G74 WeakPolarHBondContact OD1-CA 3.43Å; G74-Q112 WeakPolarHBondContact O-CG 3.05Å; G74-Q112 PolarHBondContact O-NE2 2.82Å
75	G	89.6	Confident	91.6	Very high	28 Å²	28	53.8 Å²	53.8	29%	0.289	31%	0.308	S	S	.	.			trans	111.9	129.8	175.7	0	0	0	0	0	113.2	S111	G75-S111 WeakPolarHBondContact CA-OG 3.38Å
76	E	92.1	Very high	91.6	Very high	145 Å²	145	54.7 Å²	54.7	68%	0.678	31%	0.313	S	S	*	.			trans	-127.5	142.8	-176.3	-68.1	179	177.5	0	0	109.5	Y48 S111	Y48-E76 PolarHBondContact OH-N 3.2Å; E76-S111 WeakPolarHBondContact O-CB 3.43Å
77	S	94.6	Very high	91.6	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.021	33%	0.333	C	S	.	.			trans	-77.3	165.6	175	81.3	0	0	0	0	111.5	N39 Y79 G80 R81	N39-S77 WeakPolarHBondContact OD1-CA 3.48Å; S77-Y79 PolarHBondContact O-N 3.38Å; S77-Y79 PolarHBondContact OG-N 3.13Å; S77-Y79 VanDerWaalsContact OG-N 3.14Å; S77-G80 PolarHBondContact O-N 2.92Å; S77-R81 PolarHBondContact OG-O 2.84Å
78	I	93.6	Very high	91.6	Very high	16 Å²	16	62.6 Å²	62.6	8%	0.082	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-23.3	171.1	64.1	169.3	0	0	0	113.5	R38 N39 Q42 L43 G80 R177	R38-I78 HydrophobicContact CG-CD1 4.17Å; N39-I78 HydrophobicContact CB-CD1 4.37Å; N39-I78 HydrophobicContact CB-CG1 4.21Å; N39-I78 WeakPolarHBondContact OD1-CG1 3.15Å; N39-I78 PolarHBondContact OD1-N 2.94Å; Q42-I78 HydrophobicContact CB-CD1 4.12Å; Q42-I78 HydrophobicContact CB-CG2 3.93Å; Q42-I78 HydrophobicContact CG-CD1 4.45Å; Q42-I78 HydrophobicContact CG-CG2 3.86Å; L43-I78 HydrophobicContact CD2-CG2 3.81Å; L43-I78 HydrophobicContact CG-CG2 3.79Å; I78-G80 VanDerWaalsContact C-N 3.25Å; I78-G80 PolarHBondContact O-N 3.04Å; I78-R177 PolarHBondContact O-NH1 3.43Å
79	Y	92.1	Very high	91.6	Very high	86 Å²	86	64.7 Å²	64.7	34%	0.337	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-2	-175.7	-53.4	-64.6	0	0	0	113	K35 N39 S77 R81 F83	K35-Y79 PolarHBondContact O-OH 3.21Å; N39-Y79 HydrophobicContact CB-CE2 4.27Å; S77-Y79 PolarHBondContact O-N 3.38Å; S77-Y79 PolarHBondContact OG-N 3.13Å; S77-Y79 VanDerWaalsContact OG-N 3.14Å; Y79-R81 PolarHBondContact O-N 3.43Å; Y79-F83 HydrophobicContact CD2-CB 3.95Å; Y79-F83 HydrophobicContact CD2-CD1 4.07Å; Y79-F83 HydrophobicContact CD2-CG 4.21Å; Y79-F83 HydrophobicContact CE2-CB 4.25Å; Y79-F83 HydrophobicContact CE2-CD1 4.21Å; Y79-F83 HydrophobicContact CE2-CG 4.21Å
80	G	89.4	Confident	91.6	Very high	65 Å²	65	66.1 Å²	66.1	67%	0.67	36%	0.359	S	S	*	.	S	Bend	trans	71.1	3	-177	0	0	0	0	0	114.4	S77 I78	S77-G80 PolarHBondContact O-N 2.92Å; I78-G80 VanDerWaalsContact C-N 3.25Å; I78-G80 PolarHBondContact O-N 3.04Å
81	R	91.8	Very high	91.8	Very high	188 Å²	188	66.7 Å²	66.7	71%	0.709	36%	0.361	S	S	*	.	S	Bend	trans	-149.6	155.1	176.6	59	-179.3	173	-174.3	-2.3	110.2	S77 Y79	S77-R81 PolarHBondContact OG-O 2.84Å; Y79-R81 PolarHBondContact O-N 3.43Å
82	P	93.8	Very high	92.1	Very high	70 Å²	70	68.3 Å²	68.3	46%	0.455	36%	0.357	S	S	.	.			trans	-56.2	143.2	172.2	-21.6	32.2	0	0	0	111.3	D108 N109	P82-D108 WeakPolarHBondContact CG-OD1 3.48Å; P82-N109 VanDerWaalsContact CA-O 3.27Å; P82-N109 WeakPolarHBondContact CA-O 3.29Å
83	F	94.4	Very high	92.5	Very high	12 Å²	12	67.4 Å²	67.4	5%	0.053	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-110.7	160.2	-176.7	67.3	-90.9	0	0	0	112.7	K35 A36 N39 Y79 M101 H107 N109 G110	K35-F83 HydrophobicContact CB-CD2 4.12Å; K35-F83 HydrophobicContact CB-CE2 4.47Å; A36-F83 HydrophobicContact CB-CE2 3.95Å; A36-F83 HydrophobicContact CB-CZ 4.13Å; N39-F83 HydrophobicContact CB-CE1 4.11Å; N39-F83 HydrophobicContact CB-CZ 4.39Å; N39-F83 WeakPolarHBondContact ND2-CE1 3.26Å; Y79-F83 HydrophobicContact CD2-CB 3.95Å; Y79-F83 HydrophobicContact CD2-CD1 4.07Å; Y79-F83 HydrophobicContact CD2-CG 4.21Å; Y79-F83 HydrophobicContact CE2-CB 4.25Å; Y79-F83 HydrophobicContact CE2-CD1 4.21Å; Y79-F83 HydrophobicContact CE2-CG 4.21Å; F83-M101 HydrophobicContact CE1-CE 4.19Å; F83-M101 HydrophobicContact CZ-CE 3.94Å; F83-M101 HydrophobicContact CZ-CG 4.2Å; F83-M101 HydrophobicContact CZ-SD 4.42Å; F83-H107 CarbonylContact O-C 3.54Å; F83-N109 HydrophobicContact CD1-CB 3.82Å; F83-N109 WeakPolarHBondContact CD1-O 3.48Å; F83-N109 HydrophobicContact CD2-CB 3.84Å; F83-N109 HydrophobicContact CE1-CB 3.5Å; F83-N109 VanDerWaalsContact CE1-CB 3.5Å; F83-N109 WeakPolarHBondContact CE1-O 3.47Å; F83-N109 HydrophobicContact CE2-CB 3.51Å; F83-N109 HydrophobicContact CG-CB 3.99Å; F83-N109 HydrophobicContact CZ-CB 3.34Å; F83-N109 PolarHBondContact N-O 3.32Å; F83-N109 WeakPolarHBondContact O-CB 3.4Å; F83-N109 PolarHBondContact O-N 3.2Å; F83-N109 PolarHBondContact O-ND2 3.22Å; F83-G110 WeakPolarHBondContact CE1-O 3.47Å
84	K	94.8	Very high	92.6	Very high	98 Å²	98	64.9 Å²	64.9	43%	0.426	33%	0.328	S	S	.	.			trans	-60.4	144.1	-175.6	65.4	167.2	-166.9	169.6	0	112.8	K35 E86 H107 N109	K35-K84 HydrophobicContact CD-CD 4.37Å; K35-K84 HydrophobicContact CD-CG 3.96Å; K84-E86 VanDerWaalsContact CE-OE1 3.24Å; K84-E86 WeakPolarHBondContact CE-OE1 3.46Å; K84-E86 HydrophobicContact CG-CG 4.49Å; K84-E86 IonicContact NZ-OE1 3.81Å; K84-H107 WeakPolarHBondContact CA-ND1 3.48Å; K84-N109 PolarHBondContact O-ND2 3.1Å
85	D	94.4	Very high	92.8	Very high	16 Å²	16	68.6 Å²	68.6	9%	0.086	34%	0.337	C	S	.	.			trans	-63.5	144.9	164.9	-53.9	-53.2	0	0	0	112.4	F87 N103 H107 N109 T128	D85-F87 HydrophobicContact CB-CD2 4.47Å; D85-F87 HydrophobicContact CB-CE1 3.91Å; D85-F87 HydrophobicContact CB-CE2 3.67Å; D85-F87 HydrophobicContact CB-CZ 3.35Å; D85-N103 PolarHBondContact OD1-ND2 3.13Å; D85-N103 VanDerWaalsContact OD1-ND2 3.08Å; D85-H107 PolarHBondContact N-ND1 3.14Å; D85-H107 PolarHBondContact OD2-N 3.07Å; D85-H107 IonicContact OD2-ND1 3.94Å; D85-N109 PolarHBondContact N-ND2 2.9Å; D85-N109 PolarHBondContact OD1-ND2 2.86Å; D85-N109 PolarHBondContact OD1-OD1 3.13Å; D85-T128 VanDerWaalsContact CA-OG1 3.3Å; D85-T128 WeakPolarHBondContact CA-OG1 2.88Å
86	E	93.8	Very high	93	Very high	20 Å²	20	72.7 Å²	72.7	9%	0.093	34%	0.343	C	S	.	.			trans	-126.8	109	178.2	-60.6	-175.8	145.1	0	0	108.6	A33 P34 K35 K84 T128	A33-E86 VanDerWaalsContact CA-OE2 3.26Å; A33-E86 WeakPolarHBondContact CA-OE2 3.17Å; A33-E86 HydrophobicContact CB-CB 4.49Å; P34-E86 WeakPolarHBondContact CD-OE2 3.38Å; K35-E86 WeakPolarHBondContact CB-OE1 3.33Å; K35-E86 VanDerWaalsContact CG-OE1 3.32Å; K35-E86 WeakPolarHBondContact CG-OE1 3.45Å; K35-E86 PolarHBondContact N-OE2 3.4Å; K84-E86 VanDerWaalsContact CE-OE1 3.24Å; K84-E86 WeakPolarHBondContact CE-OE1 3.46Å; K84-E86 HydrophobicContact CG-CG 4.49Å; K84-E86 IonicContact NZ-OE1 3.81Å; E86-T128 HydrophobicContact CB-CG2 3.93Å; E86-T128 PolarHBondContact N-OG1 3.05Å; E86-T128 WeakPolarHBondContact O-CG2 3.47Å
87	F	93.6	Very high	93.1	Very high	98 Å²	98	65.9 Å²	65.9	43%	0.43	31%	0.312	S	S	.	.			trans	-108.6	140.8	-178	-54.1	-57.2	0	0	0	111.1	D85 N125	D85-F87 HydrophobicContact CB-CD2 4.47Å; D85-F87 HydrophobicContact CB-CE1 3.91Å; D85-F87 HydrophobicContact CB-CE2 3.67Å; D85-F87 HydrophobicContact CB-CZ 3.35Å; F87-N125 VanDerWaalsContact CE1-C 3.43Å; F87-N125 WeakPolarHBondContact CZ-O 3.32Å
88	H	92.4	Very high	93.2	Very high	68 Å²	68	65.9 Å²	65.9	32%	0.315	31%	0.311	S	S	.	.			trans	-133.9	132.5	174.9	-166.1	60.2	0	0	0	110.7	E32 R90 L91	E32-H88 HydrophobicContact CB-CB 4.34Å; E32-H88 HydrophobicContact CG-CB 4.48Å; H88-R90 PolarHBondContact O-N 3.48Å; H88-R90 VanDerWaalsContact O-N 3.15Å; H88-L91 HydrophobicContact CB-CB 4.29Å; H88-L91 HydrophobicContact CB-CD1 4.09Å; H88-L91 HydrophobicContact CB-CG 4.1Å; H88-L91 PolarHBondContact O-N 3.49Å
89	S	91.4	Very high	93.4	Very high	96 Å²	96	65.1 Å²	65.1	67%	0.671	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-27	-173.2	56.6	0	0	0	0	114.1
90	R	92	Very high	93.6	Very high	121 Å²	121	61 Å²	61	46%	0.457	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-20.4	176.6	-59.7	176.9	65	-178.1	-0.2	113.2	Q7 E8 H88	Q7-R90 PolarHBondContact O-NE 3.18Å; Q7-R90 PolarHBondContact O-NH2 2.87Å; E8-R90 PolarHBondContact O-NH2 3.25Å; H88-R90 PolarHBondContact O-N 3.48Å; H88-R90 VanDerWaalsContact O-N 3.15Å
91	L	93.2	Very high	93.9	Very high	15 Å²	15	57.9 Å²	57.9	8%	0.079	26%	0.26	C	S	.	.			trans	-94.7	106.2	178.3	-60.8	-178.7	0	0	0	108.5	P9 W29 E32 H88 I129	P9-L91 HydrophobicContact CG-CD2 4Å; W29-L91 HydrophobicContact CB-CD1 4.34Å; W29-L91 HydrophobicContact CD2-CD1 4.18Å; W29-L91 HydrophobicContact CD2-CD2 3.64Å; W29-L91 HydrophobicContact CE3-CD1 4.07Å; W29-L91 HydrophobicContact CE3-CD2 3.75Å; W29-L91 HydrophobicContact CG-CD1 4.32Å; W29-L91 HydrophobicContact CG-CD2 4.26Å; W29-L91 HydrophobicContact CH2-CD2 3.86Å; W29-L91 HydrophobicContact CZ2-CD2 3.75Å; W29-L91 HydrophobicContact CZ3-CD2 3.87Å; E32-L91 HydrophobicContact CB-CD1 3.8Å; E32-L91 HydrophobicContact CG-CD1 4.2Å; H88-L91 HydrophobicContact CB-CB 4.29Å; H88-L91 HydrophobicContact CB-CD1 4.09Å; H88-L91 HydrophobicContact CB-CG 4.1Å; H88-L91 PolarHBondContact O-N 3.49Å; L91-I129 HydrophobicContact CB-CB 4.22Å; L91-I129 HydrophobicContact CB-CD1 4.25Å; L91-I129 HydrophobicContact CB-CG2 4.35Å
92	R	93.7	Very high	94	Very high	121 Å²	121	49.5 Å²	49.5	46%	0.457	23%	0.23	S	C	.	.			trans	-137.8	153.2	-178.6	-67.6	-171.5	-70.7	165.9	-1.2	110.2	I94 L98	R92-I94 HydrophobicContact CB-CD1 3.85Å; R92-I94 HydrophobicContact CB-CG1 3.8Å; R92-I94 PolarHBondContact O-N 3.21Å; R92-L98 VanDerWaalsContact O-CD1 3.32Å; R92-L98 WeakPolarHBondContact O-CD1 3.41Å
93	F	94.6	Very high	94	Very high	1 Å²	1	47.7 Å²	47.7	0%	0.004	22%	0.217	C	C	.	.	S	Bend	trans	-78.3	55.7	-178.9	-66.2	-70.1	0	0	0	113.6	L98 A100 F114 T116 A120 L123 N124 H127 I129	F93-L98 HydrophobicContact CD1-CB 4.44Å; F93-L98 HydrophobicContact CD1-CD1 4.03Å; F93-A100 HydrophobicContact CE1-CB 3.68Å; F93-A100 HydrophobicContact CZ-CB 3.54Å; F93-F114 HydrophobicContact CE1-CE2 4.12Å; F93-F114 HydrophobicContact CE1-CZ 4.28Å; F93-F114 HydrophobicContact CZ-CE2 4.33Å; F93-F114 HydrophobicContact CZ-CZ 4.03Å; F93-T116 HydrophobicContact CD1-CG2 3.58Å; F93-T116 HydrophobicContact CE1-CG2 3.79Å; F93-A120 HydrophobicContact CB-CB 4.03Å; F93-A120 WeakPolarHBondContact CB-O 3.41Å; F93-A120 HydrophobicContact CG-CB 4.42Å; F93-A120 PolarHBondContact O-N 3.15Å; F93-A120 VanDerWaalsContact O-N 3.12Å; F93-L123 HydrophobicContact CD2-CB 3.65Å; F93-L123 HydrophobicContact CE2-CB 3.62Å; F93-L123 WeakPolarHBondContact CE2-O 3.37Å; F93-L123 HydrophobicContact CG-CB 4.41Å; F93-L123 HydrophobicContact CZ-CB 4.33Å; F93-N124 WeakPolarHBondContact CD2-OD1 3.46Å; F93-N124 PolarHBondContact N-OD1 3.23Å; F93-H127 HydrophobicContact CE2-CB 4.21Å; F93-H127 HydrophobicContact CZ-CB 4.03Å; F93-I129 HydrophobicContact CD1-CD1 3.86Å; F93-I129 HydrophobicContact CD1-CG1 4.14Å; F93-I129 HydrophobicContact CD2-CD1 3.92Å; F93-I129 HydrophobicContact CD2-CG1 4.41Å; F93-I129 HydrophobicContact CE1-CD1 3.76Å; F93-I129 HydrophobicContact CE1-CG1 3.5Å; F93-I129 HydrophobicContact CE2-CD1 3.78Å; F93-I129 HydrophobicContact CE2-CG1 3.78Å; F93-I129 HydrophobicContact CG-CD1 3.98Å; F93-I129 HydrophobicContact CZ-CD1 3.72Å; F93-I129 HydrophobicContact CZ-CG1 3.29Å
94	I	91.8	Very high	93.7	Very high	77 Å²	77	51.8 Å²	51.8	40%	0.395	25%	0.253	S	S	.	.			trans	-85.7	-19	-174.9	-57.3	164.8	0	0	0	111.9	R92 R119	R92-I94 HydrophobicContact CB-CD1 3.85Å; R92-I94 HydrophobicContact CB-CG1 3.8Å; R92-I94 PolarHBondContact O-N 3.21Å; I94-R119 WeakPolarHBondContact O-CD 3.39Å; I94-R119 VanDerWaalsContact O-CG 3.25Å; I94-R119 WeakPolarHBondContact O-CG 3.27Å; I94-R119 PolarHBondContact O-NE 3.35Å
95	R	91.8	Very high	93.3	Very high	97 Å²	97	48.8 Å²	48.8	37%	0.366	25%	0.25	S	C	.	.	S	Bend	trans	-146.5	163.6	-175.1	66.7	-176.7	-178	114.9	-4.2	111.5	E8 L98 T116	E8-R95 VanDerWaalsContact CD-NH2 3.28Å; E8-R95 IonicContact OE1-CZ 3.08Å; E8-R95 VanDerWaalsContact OE1-CZ 3.3Å; E8-R95 IonicContact OE1-NE 3.94Å; E8-R95 PolarHBondContact OE1-NE 3.27Å; E8-R95 IonicContact OE1-NH2 3.3Å; E8-R95 PolarHBondContact OE1-NH2 3.07Å; E8-R95 IonicContact OE2-CZ 3.33Å; E8-R95 IonicContact OE2-NH2 3.82Å; E8-R95 PolarHBondContact OE2-NH2 3.47Å; R95-L98 HydrophobicContact CG-CD1 4.5Å; R95-L98 HydrophobicContact CG-CG 4.44Å; R95-L98 WeakPolarHBondContact O-CD1 3.27Å; R95-T116 PolarHBondContact O-OG1 3.46Å
96	R	94.1	Very high	93	Very high	114 Å²	114	56.2 Å²	56.2	43%	0.43	28%	0.284	S	S	.	.	S	Bend	trans	-71	163.2	171.6	71.1	-177.6	179.5	-173.9	0.3	112.6	T116 L117 I138	R96-T116 CarbonylContact C-O 3.57Å; R96-T116 WeakPolarHBondContact CA-O 3.48Å; R96-L117 WeakPolarHBondContact CB-O 3.5Å; R96-I138 HydrophobicContact CG-CD1 4.21Å
97	G	94.5	Very high	92.7	Very high	1 Å²	1	60.4 Å²	60.4	1%	0.01	30%	0.303	C	S	.	.	S	Bend	trans	77.8	19.3	-179.9	0	0	0	0	0	114	T116 K132 V133	G97-T116 PolarHBondContact N-O 3.06Å; G97-T116 PolarHBondContact N-OG1 3.3Å; G97-K132 CarbonylContact O-C 3.59Å; G97-K132 WeakPolarHBondContact O-CA 3.21Å; G97-V133 PolarHBondContact O-N 2.96Å
98	L	96.1	Very high	92.7	Very high	3 Å²	3	59 Å²	59	2%	0.016	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	147.6	168.1	-60.3	172.9	0	0	0	109.8	W29 R92 F93 R95 F115 T116 K132	W29-L98 HydrophobicContact CH2-CD2 3.79Å; W29-L98 HydrophobicContact CZ3-CD2 4.13Å; R92-L98 VanDerWaalsContact O-CD1 3.32Å; R92-L98 WeakPolarHBondContact O-CD1 3.41Å; F93-L98 HydrophobicContact CD1-CB 4.44Å; F93-L98 HydrophobicContact CD1-CD1 4.03Å; R95-L98 HydrophobicContact CG-CD1 4.5Å; R95-L98 HydrophobicContact CG-CG 4.44Å; R95-L98 WeakPolarHBondContact O-CD1 3.27Å; L98-F115 WeakPolarHBondContact O-CA 3.49Å; L98-T116 HydrophobicContact CB-CG2 4.34Å; L98-T116 WeakPolarHBondContact CB-OG1 3.48Å; L98-T116 PolarHBondContact N-OG1 3.13Å; L98-T116 PolarHBondContact O-N 2.93Å; L98-T116 PolarHBondContact O-OG1 3.33Å; L98-K132 HydrophobicContact CD2-CB 4.13Å
99	V	96.8	Very high	92.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.3	177.9	-162.8	0	0	0	0	108.6	I26 F113 F114 F115 F130 G131 V133	I26-V99 HydrophobicContact CD1-CG2 4.41Å; I26-V99 HydrophobicContact CG1-CG2 4.44Å; I26-V99 HydrophobicContact CG2-CG2 3.88Å; V99-F113 HydrophobicContact CG1-CD2 3.98Å; V99-F114 WeakPolarHBondContact CA-O 3.4Å; V99-F115 HydrophobicContact CB-CD1 4.45Å; V99-F115 HydrophobicContact CB-CE1 4.46Å; V99-F115 HydrophobicContact CG1-CD1 4.3Å; V99-F115 HydrophobicContact CG1-CE1 4.09Å; V99-F115 HydrophobicContact CG2-CD1 3.7Å; V99-F115 HydrophobicContact CG2-CE1 3.59Å; V99-F130 HydrophobicContact CB-CE1 4.42Å; V99-F130 HydrophobicContact CB-CZ 4.22Å; V99-F130 HydrophobicContact CG1-CE1 3.78Å; V99-F130 HydrophobicContact CG1-CE2 4.09Å; V99-F130 HydrophobicContact CG1-CZ 3.42Å; V99-F130 VanDerWaalsContact CG1-CZ 3.42Å; V99-F130 PolarHBondContact O-N 3.39Å; V99-F130 VanDerWaalsContact O-N 3.09Å; V99-G131 PolarHBondContact N-O 3.1Å; V99-G131 PolarHBondContact O-N 2.99Å; V99-V133 HydrophobicContact CG2-CG2 4.08Å
100	A	96.8	Very high	92.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	156.6	-178.1	0	0	0	0	0	112.1	F93 F113 F114 H127 T128 I129	F93-A100 HydrophobicContact CE1-CB 3.68Å; F93-A100 HydrophobicContact CZ-CB 3.54Å; A100-F113 CarbonylContact O-C 3.45Å; A100-F113 VanDerWaalsContact O-CA 3.25Å; A100-F113 WeakPolarHBondContact O-CA 3.19Å; A100-F113 WeakPolarHBondContact O-CB 3.46Å; A100-F114 HydrophobicContact CB-CE1 3.87Å; A100-F114 HydrophobicContact CB-CE2 3.95Å; A100-F114 HydrophobicContact CB-CZ 3.55Å; A100-F114 PolarHBondContact N-O 2.89Å; A100-F114 PolarHBondContact O-N 3.5Å; A100-H127 HydrophobicContact CB-CB 4.39Å; A100-T128 CarbonylContact C-O 3.55Å; A100-T128 WeakPolarHBondContact CA-O 3.31Å; A100-T128 WeakPolarHBondContact CB-O 3.37Å; A100-I129 HydrophobicContact CB-CG1 4.23Å
101	M	96.3	Very high	93	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	133.9	177.1	-64.6	-57.1	-61	0	0	110.7	A36 F83 N109 G110 Q112 F113 F114 H127 T128 F130	A36-M101 HydrophobicContact CB-CG 4.09Å; F83-M101 HydrophobicContact CE1-CE 4.19Å; F83-M101 HydrophobicContact CZ-CE 3.94Å; F83-M101 HydrophobicContact CZ-CG 4.2Å; F83-M101 HydrophobicContact CZ-SD 4.42Å; M101-N109 HydrophobicContact CB-CB 4.39Å; M101-N109 WeakPolarHBondContact CB-OD1 3.42Å; M101-N109 HydrophobicContact CE-CB 4.46Å; M101-G110 WeakPolarHBondContact CE-O 3.33Å; M101-Q112 VanDerWaalsContact CE-O 3.28Å; M101-Q112 WeakPolarHBondContact CE-O 3.48Å; M101-F113 HydrophobicContact SD-CB 4.42Å; M101-F114 WeakPolarHBondContact O-CE1 3.45Å; M101-H127 PolarHBondContact O-ND1 2.96Å; M101-H127 VanDerWaalsContact O-ND1 3.1Å; M101-T128 PolarHBondContact N-O 2.97Å; M101-F130 HydrophobicContact CG-CD1 3.83Å; M101-F130 HydrophobicContact CG-CE1 4.02Å; M101-F130 HydrophobicContact SD-CD1 3.85Å; M101-F130 HydrophobicContact SD-CE1 3.5Å; M101-F130 VanDerWaalsContact SD-CE1 3.5Å; M101-F130 HydrophobicContact SD-CZ 4.24Å
102	A	94.7	Very high	93.1	Very high	11 Å²	11	46.5 Å²	46.5	9%	0.091	24%	0.24	C	C	.	.			trans	-79	135.6	169.2	0	0	0	0	0	109.2	Q64 Q112 F114	Q64-A102 HydrophobicContact CG-CB 4.41Å; A102-Q112 HydrophobicContact CB-CB 3.87Å; A102-Q112 PolarHBondContact N-O 3.48Å; A102-F114 HydrophobicContact CB-CD1 4.12Å
103	N	92.6	Very high	93.2	Very high	33 Å²	33	40.7 Å²	40.7	18%	0.176	22%	0.218	C	C	.	.			trans	-139.3	153.1	175	63.5	13	0	0	0	109.4	D85 G105 D108 K126 H127	D85-N103 PolarHBondContact OD1-ND2 3.13Å; D85-N103 VanDerWaalsContact OD1-ND2 3.08Å; N103-G105 PolarHBondContact ND2-O 2.88Å; N103-D108 HydrophobicContact CB-CB 4.42Å; N103-K126 PolarHBondContact ND2-O 3.1Å; N103-H127 PolarHBondContact OD1-CE1 3.27Å; N103-H127 PolarHBondContact OD1-ND1 2.91Å
104	A	87.7	Confident	93.3	Very high	97 Å²	97	40.9 Å²	40.9	80%	0.802	22%	0.219	S	C	*	.	S	Bend	trans	-98.5	-4.8	173.1	0	0	0	0	0	112.5
105	G	87.4	Confident	93.6	Very high	36 Å²	36	37.2 Å²	37.2	37%	0.371	20%	0.2	S	C	.	.	S	Bend	trans	-176.4	-171.3	-178.4	0	0	0	0	0	111.7	N103 H107	N103-G105 PolarHBondContact ND2-O 2.88Å; G105-H107 PolarHBondContact O-N 3.01Å
106	Q	87	Confident	93.8	Very high	172 Å²	172	32.6 Å²	32.6	80%	0.804	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	132.5	177.9	-71.1	178.1	-3.8	0	0	111	D108	Q106-D108 PolarHBondContact O-N 3.26Å
107	H	88.2	Confident	93.8	Very high	107 Å²	107	27.6 Å²	27.6	50%	0.495	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.6	28.4	176.3	-51.6	-54.3	0	0	0	115.1	F83 K84 D85 G105	F83-H107 CarbonylContact O-C 3.54Å; K84-H107 WeakPolarHBondContact CA-ND1 3.48Å; D85-H107 PolarHBondContact N-ND1 3.14Å; D85-H107 PolarHBondContact OD2-N 3.07Å; D85-H107 IonicContact OD2-ND1 3.94Å; G105-H107 PolarHBondContact O-N 3.01Å
108	D	92.6	Very high	93.7	Very high	69 Å²	69	28.5 Å²	28.5	37%	0.369	17%	0.173	S	C	.	.			trans	-105.9	39.4	-178.5	-167.7	40.3	0	0	0	112.8	P82 N103 Q106 G110	P82-D108 WeakPolarHBondContact CG-OD1 3.48Å; N103-D108 HydrophobicContact CB-CB 4.42Å; Q106-D108 PolarHBondContact O-N 3.26Å; D108-G110 PolarHBondContact O-N 3.23Å
109	N	94	Very high	93.6	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-81	123	179.4	-58.5	-75.4	0	0	0	110.8	P82 F83 K84 D85 M101	P82-N109 VanDerWaalsContact CA-O 3.27Å; P82-N109 WeakPolarHBondContact CA-O 3.29Å; F83-N109 HydrophobicContact CD1-CB 3.82Å; F83-N109 WeakPolarHBondContact CD1-O 3.48Å; F83-N109 HydrophobicContact CD2-CB 3.84Å; F83-N109 HydrophobicContact CE1-CB 3.5Å; F83-N109 VanDerWaalsContact CE1-CB 3.5Å; F83-N109 WeakPolarHBondContact CE1-O 3.47Å; F83-N109 HydrophobicContact CE2-CB 3.51Å; F83-N109 HydrophobicContact CG-CB 3.99Å; F83-N109 HydrophobicContact CZ-CB 3.34Å; F83-N109 PolarHBondContact N-O 3.32Å; F83-N109 WeakPolarHBondContact O-CB 3.4Å; F83-N109 PolarHBondContact O-N 3.2Å; F83-N109 PolarHBondContact O-ND2 3.22Å; K84-N109 PolarHBondContact O-ND2 3.1Å; D85-N109 PolarHBondContact N-ND2 2.9Å; D85-N109 PolarHBondContact OD1-ND2 2.86Å; D85-N109 PolarHBondContact OD1-OD1 3.13Å; M101-N109 HydrophobicContact CB-CB 4.39Å; M101-N109 WeakPolarHBondContact CB-OD1 3.42Å; M101-N109 HydrophobicContact CE-CB 4.46Å
110	G	93.3	Very high	93.4	Very high	13 Å²	13	36.1 Å²	36.1	13%	0.134	20%	0.202	C	C	.	.			trans	-108.7	-127.9	177.6	0	0	0	0	0	113.2	N39 F83 M101 D108	N39-G110 PolarHBondContact ND2-O 2.79Å; F83-G110 WeakPolarHBondContact CE1-O 3.47Å; M101-G110 WeakPolarHBondContact CE-O 3.33Å; D108-G110 PolarHBondContact O-N 3.23Å
111	S	95.2	Very high	93.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.222	C	C	.	.	S	Bend	trans	-98.6	-15.9	171.9	64.7	0	0	0	0	113.4	Y49 G66 G75 E76	Y49-S111 WeakPolarHBondContact CE1-O 3.26Å; Y49-S111 PolarHBondContact OH-O 3.03Å; G66-S111 CarbonylContact O-C 3.37Å; G66-S111 PolarHBondContact O-OG 3.09Å; G75-S111 WeakPolarHBondContact CA-OG 3.38Å; E76-S111 WeakPolarHBondContact O-CB 3.43Å
112	Q	95.8	Very high	93.1	Very high	24 Å²	24	45.5 Å²	45.5	11%	0.112	25%	0.248	C	C	.	.			trans	-74	139.1	-174	-62.5	-169.2	24.3	0	0	111.3	G65 D67 G72 G74 M101 A102	G65-Q112 WeakPolarHBondContact O-CA 3.46Å; D67-Q112 HydrophobicContact CB-CG 4.2Å; G72-Q112 VanDerWaalsContact C-NE2 3.33Å; G72-Q112 PolarHBondContact O-NE2 3.49Å; G72-Q112 PolarHBondContact O-OE1 2.91Å; G74-Q112 WeakPolarHBondContact O-CG 3.05Å; G74-Q112 PolarHBondContact O-NE2 2.82Å; M101-Q112 VanDerWaalsContact CE-O 3.28Å; M101-Q112 WeakPolarHBondContact CE-O 3.48Å; A102-Q112 HydrophobicContact CB-CB 3.87Å; A102-Q112 PolarHBondContact N-O 3.48Å
113	F	96.8	Very high	93	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	162.4	177.7	64.7	-90.7	0	0	0	109.8	L17 F40 Y49 G65 V99 A100 M101 F115 F130 I161	L17-F113 HydrophobicContact CD1-CZ 4.21Å; F40-F113 HydrophobicContact CD2-CD1 4.47Å; F40-F113 HydrophobicContact CE2-CD1 4.13Å; F40-F113 AromaticContact CE2-CE1 3.91Å; F40-F113 HydrophobicContact CE2-CE1 3.91Å; F40-F113 HydrophobicContact CE2-CZ 4.21Å; Y49-F113 HydrophobicContact CD1-CE1 4.11Å; Y49-F113 HydrophobicContact CE1-CD1 4.14Å; Y49-F113 AromaticContact CE1-CE1 3.72Å; Y49-F113 HydrophobicContact CE1-CE1 3.72Å; Y49-F113 HydrophobicContact CE2-CE1 4.3Å; Y49-F113 AromaticContact CZ-CE1 3.81Å; G65-F113 PolarHBondContact N-O 3.03Å; G65-F113 PolarHBondContact O-N 3.31Å; G65-F113 VanDerWaalsContact O-O 3.07Å; V99-F113 HydrophobicContact CG1-CD2 3.98Å; A100-F113 CarbonylContact O-C 3.45Å; A100-F113 VanDerWaalsContact O-CA 3.25Å; A100-F113 WeakPolarHBondContact O-CA 3.19Å; A100-F113 WeakPolarHBondContact O-CB 3.46Å; M101-F113 HydrophobicContact SD-CB 4.42Å; F113-F115 HydrophobicContact CD2-CE2 4.38Å; F113-F115 HydrophobicContact CD2-CZ 4.44Å; F113-F115 HydrophobicContact CE2-CD2 4.44Å; F113-F115 AromaticContact CE2-CE2 3.68Å; F113-F115 HydrophobicContact CE2-CE2 3.68Å; F113-F115 AromaticContact CE2-CZ 3.74Å; F113-F115 HydrophobicContact CE2-CZ 3.74Å; F113-F130 HydrophobicContact CB-CE1 4.14Å; F113-F130 HydrophobicContact CB-CZ 4.27Å; F113-I161 HydrophobicContact CZ-CD1 4.06Å
114	F	96.7	Very high	93	Very high	4 Å²	4	45.9 Å²	45.9	2%	0.018	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	153.2	175	65.7	-90.2	0	0	0	111.7	I62 I63 Q64 F93 V99 A100 M101 A102 T116 L123 H127	I62-F114 HydrophobicContact CB-CB 4.43Å; I62-F114 HydrophobicContact CB-CD2 3.98Å; I62-F114 HydrophobicContact CB-CG 4.48Å; I62-F114 HydrophobicContact CG2-CD2 3.59Å; I62-F114 HydrophobicContact CG2-CE2 3.88Å; I62-F114 HydrophobicContact CG2-CG 4.47Å; I63-F114 CarbonylContact O-C 3.44Å; I63-F114 WeakPolarHBondContact O-CA 3.2Å; I63-F114 VanDerWaalsContact O-CB 3.28Å; I63-F114 WeakPolarHBondContact O-CB 3.44Å; Q64-F114 HydrophobicContact CB-CB 4.07Å; Q64-F114 HydrophobicContact CG-CB 4.42Å; F93-F114 HydrophobicContact CE1-CE2 4.12Å; F93-F114 HydrophobicContact CE1-CZ 4.28Å; F93-F114 HydrophobicContact CZ-CE2 4.33Å; F93-F114 HydrophobicContact CZ-CZ 4.03Å; V99-F114 WeakPolarHBondContact CA-O 3.4Å; A100-F114 HydrophobicContact CB-CE1 3.87Å; A100-F114 HydrophobicContact CB-CE2 3.95Å; A100-F114 HydrophobicContact CB-CZ 3.55Å; A100-F114 PolarHBondContact N-O 2.89Å; A100-F114 PolarHBondContact O-N 3.5Å; M101-F114 WeakPolarHBondContact O-CE1 3.45Å; A102-F114 HydrophobicContact CB-CD1 4.12Å; F114-T116 HydrophobicContact CD2-CG2 4.3Å; F114-T116 HydrophobicContact CE2-CG2 3.96Å; F114-L123 HydrophobicContact CE2-CD1 3.82Å; F114-L123 HydrophobicContact CZ-CD1 3.82Å; F114-H127 HydrophobicContact CE1-CB 4.07Å; F114-H127 AromaticContact CE1-CG 3.79Å; F114-H127 AromaticContact CE1-ND1 3.71Å; F114-H127 HydrophobicContact CZ-CB 3.95Å; F114-H127 AromaticContact CZ-CG 3.85Å
115	F	96.8	Very high	93.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	141.5	168.5	-62.2	-75.5	0	0	0	109.7	L17 I24 I26 F54 I62 I63 L98 V99 F113 V133 L141	L17-F115 HydrophobicContact CD1-CZ 4.28Å; I24-F115 HydrophobicContact CG2-CE1 4.43Å; I24-F115 HydrophobicContact CG2-CZ 4.44Å; I26-F115 HydrophobicContact CD1-CE1 3.88Å; I26-F115 HydrophobicContact CD1-CZ 3.96Å; I26-F115 HydrophobicContact CG1-CE1 4.37Å; F54-F115 HydrophobicContact CE1-CD2 4.25Å; F54-F115 AromaticContact CE1-CE2 3.8Å; F54-F115 HydrophobicContact CE1-CE2 3.8Å; F54-F115 HydrophobicContact CZ-CE2 4.08Å; I62-F115 CarbonylContact C-O 3.59Å; I62-F115 VanDerWaalsContact CA-O 3.22Å; I62-F115 WeakPolarHBondContact CA-O 3.49Å; I63-F115 HydrophobicContact CB-CB 4.44Å; I63-F115 PolarHBondContact N-O 2.98Å; I63-F115 PolarHBondContact O-N 3.15Å; L98-F115 WeakPolarHBondContact O-CA 3.49Å; V99-F115 HydrophobicContact CB-CD1 4.45Å; V99-F115 HydrophobicContact CB-CE1 4.46Å; V99-F115 HydrophobicContact CG1-CD1 4.3Å; V99-F115 HydrophobicContact CG1-CE1 4.09Å; V99-F115 HydrophobicContact CG2-CD1 3.7Å; V99-F115 HydrophobicContact CG2-CE1 3.59Å; F113-F115 HydrophobicContact CD2-CE2 4.38Å; F113-F115 HydrophobicContact CD2-CZ 4.44Å; F113-F115 HydrophobicContact CE2-CD2 4.44Å; F113-F115 AromaticContact CE2-CE2 3.68Å; F113-F115 HydrophobicContact CE2-CE2 3.68Å; F113-F115 AromaticContact CE2-CZ 3.74Å; F113-F115 HydrophobicContact CE2-CZ 3.74Å; F115-V133 HydrophobicContact CD1-CG2 3.85Å; F115-V133 HydrophobicContact CE1-CG2 3.8Å; F115-L141 HydrophobicContact CB-CD1 3.44Å; F115-L141 VanDerWaalsContact CB-CD1 3.44Å; F115-L141 HydrophobicContact CB-CD2 3.96Å; F115-L141 HydrophobicContact CB-CG 4.31Å; F115-L141 HydrophobicContact CD1-CD1 4.01Å; F115-L141 HydrophobicContact CD1-CD2 4.31Å; F115-L141 HydrophobicContact CD2-CD1 3.63Å; F115-L141 HydrophobicContact CE2-CD1 4.34Å; F115-L141 HydrophobicContact CG-CD1 3.43Å; F115-L141 VanDerWaalsContact CG-CD1 3.43Å; F115-L141 HydrophobicContact CG-CD2 4.3Å
116	T	96.2	Very high	93.3	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	129.7	172.2	58.6	0	0	0	0	111.2	F93 R95 R96 G97 L98 F114	F93-T116 HydrophobicContact CD1-CG2 3.58Å; F93-T116 HydrophobicContact CE1-CG2 3.79Å; R95-T116 PolarHBondContact O-OG1 3.46Å; R96-T116 CarbonylContact C-O 3.57Å; R96-T116 WeakPolarHBondContact CA-O 3.48Å; G97-T116 PolarHBondContact N-O 3.06Å; G97-T116 PolarHBondContact N-OG1 3.3Å; L98-T116 HydrophobicContact CB-CG2 4.34Å; L98-T116 WeakPolarHBondContact CB-OG1 3.48Å; L98-T116 PolarHBondContact N-OG1 3.13Å; L98-T116 PolarHBondContact O-N 2.93Å; L98-T116 PolarHBondContact O-OG1 3.33Å; F114-T116 HydrophobicContact CD2-CG2 4.3Å; F114-T116 HydrophobicContact CE2-CG2 3.96Å
117	L	94.3	Very high	93.7	Very high	10 Å²	10	44.1 Å²	44.1	5%	0.052	22%	0.216	C	C	.	.	S	Bend	trans	-92.7	-22.7	174	-66.3	176.4	0	0	0	113.1	F61 I63 R96 L141 L142 A145	F61-L117 PolarHBondContact O-N 3.14Å; I63-L117 HydrophobicContact CD1-CD1 4Å; I63-L117 HydrophobicContact CD1-CD2 3.76Å; I63-L117 HydrophobicContact CD1-CG 4.13Å; I63-L117 HydrophobicContact CG1-CD1 3.75Å; I63-L117 HydrophobicContact CG1-CD2 4.18Å; I63-L117 HydrophobicContact CG1-CG 3.98Å; R96-L117 WeakPolarHBondContact CB-O 3.5Å; L117-L141 HydrophobicContact CD2-CG 4.26Å; L117-L142 HydrophobicContact CD2-CD2 4.17Å; L117-A145 HydrophobicContact CD1-CB 3.47Å; L117-A145 VanDerWaalsContact CD1-CB 3.47Å; L117-A145 HydrophobicContact CD2-CB 4.02Å; L117-A145 HydrophobicContact CG-CB 4.39Å
118	G	93	Very high	94	Very high	19 Å²	19	39 Å²	39	20%	0.196	19%	0.193	C	C	.	.	S	Bend	trans	-139.1	-158.8	-179.5	0	0	0	0	0	112.8	D60	D60-G118 WeakPolarHBondContact O-CA 3.07Å; D60-G118 PolarHBondContact O-N 2.92Å
119	R	93.9	Very high	94.2	Very high	162 Å²	162	36.1 Å²	36.1	61%	0.611	18%	0.177	S	C	*	.			trans	-83.7	129.2	172.5	-61.4	-169.4	53.7	179.6	-9.3	108.8	I94 D121	I94-R119 WeakPolarHBondContact O-CD 3.39Å; I94-R119 VanDerWaalsContact O-CG 3.25Å; I94-R119 WeakPolarHBondContact O-CG 3.27Å; I94-R119 PolarHBondContact O-NE 3.35Å; R119-D121 IonicContact CZ-OD2 3.97Å; R119-D121 IonicContact NE-OD2 3.86Å; R119-D121 IonicContact NH2-OD2 2.68Å; R119-D121 PolarHBondContact NH2-OD2 3.46Å
120	A	93.3	Very high	94.4	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.008	18%	0.177	C	C	.	.			trans	-129.4	60.3	-176.3	0	0	0	0	0	110.4	F61 F93 E122 L123	F61-A120 HydrophobicContact CD2-CB 4.2Å; F61-A120 HydrophobicContact CE2-CB 3.61Å; F61-A120 HydrophobicContact CZ-CB 4.35Å; F93-A120 HydrophobicContact CB-CB 4.03Å; F93-A120 WeakPolarHBondContact CB-O 3.41Å; F93-A120 HydrophobicContact CG-CB 4.42Å; F93-A120 PolarHBondContact O-N 3.15Å; F93-A120 VanDerWaalsContact O-N 3.12Å; A120-E122 PolarHBondContact O-N 3.19Å; A120-E122 VanDerWaalsContact O-N 3.11Å; A120-L123 HydrophobicContact CB-CB 4.41Å; A120-L123 HydrophobicContact CB-CD1 3.84Å; A120-L123 HydrophobicContact CB-CG 4.04Å; A120-L123 WeakPolarHBondContact O-CB 3.3Å; A120-L123 PolarHBondContact O-N 3.47Å
121	D	93.3	Very high	94.5	Very high	78 Å²	78	35.5 Å²	35.5	42%	0.417	17%	0.171	S	C	.	.	G	3₁₀ helix	trans	-63	-21.7	-173.4	-75.3	-37.9	0	0	0	113	R119 L123 N124	R119-D121 IonicContact CZ-OD2 3.97Å; R119-D121 IonicContact NE-OD2 3.86Å; R119-D121 IonicContact NH2-OD2 2.68Å; R119-D121 PolarHBondContact NH2-OD2 3.46Å; D121-L123 VanDerWaalsContact C-N 3.3Å; D121-L123 PolarHBondContact O-N 3.36Å; D121-N124 VanDerWaalsContact CA-ND2 3.33Å; D121-N124 WeakPolarHBondContact CA-ND2 3.29Å; D121-N124 WeakPolarHBondContact O-CB 3.4Å; D121-N124 PolarHBondContact O-N 3.18Å; D121-N124 PolarHBondContact O-ND2 3.19Å; D121-N124 PolarHBondContact OD1-ND2 3.33Å
122	E	92.3	Very high	94.5	Very high	119 Å²	119	37 Å²	37	56%	0.556	18%	0.178	S	C	*	.	G	3₁₀ helix	trans	-72.2	-18.2	176.4	63.8	-177.7	175.6	0	0	115	F61 A120 K126	F61-E122 HydrophobicContact CE2-CG 4.29Å; F61-E122 WeakPolarHBondContact CE2-OE1 3.45Å; F61-E122 HydrophobicContact CZ-CG 4.25Å; F61-E122 WeakPolarHBondContact CZ-OE1 3.49Å; A120-E122 PolarHBondContact O-N 3.19Å; A120-E122 VanDerWaalsContact O-N 3.11Å; E122-K126 WeakPolarHBondContact O-CD 3.26Å; E122-K126 WeakPolarHBondContact O-CE 3.31Å; E122-K126 PolarHBondContact O-NZ 3.24Å
123	L	92.5	Very high	94.6	Very high	18 Å²	18	36.1 Å²	36.1	9%	0.094	17%	0.173	C	C	.	.	G	3₁₀ helix	trans	-90.1	-8.2	178.8	-59.8	-172.2	0	0	0	112.1	F61 I62 F93 F114 A120 D121 N125 K126 H127	F61-L123 HydrophobicContact CE1-CD1 4.39Å; F61-L123 HydrophobicContact CE2-CD1 4.35Å; F61-L123 HydrophobicContact CZ-CD1 3.76Å; F61-L123 HydrophobicContact CZ-CD2 4.1Å; F61-L123 HydrophobicContact CZ-CG 3.94Å; I62-L123 HydrophobicContact CG2-CD1 4.22Å; F93-L123 HydrophobicContact CD2-CB 3.65Å; F93-L123 HydrophobicContact CE2-CB 3.62Å; F93-L123 WeakPolarHBondContact CE2-O 3.37Å; F93-L123 HydrophobicContact CG-CB 4.41Å; F93-L123 HydrophobicContact CZ-CB 4.33Å; F114-L123 HydrophobicContact CE2-CD1 3.82Å; F114-L123 HydrophobicContact CZ-CD1 3.82Å; A120-L123 HydrophobicContact CB-CB 4.41Å; A120-L123 HydrophobicContact CB-CD1 3.84Å; A120-L123 HydrophobicContact CB-CG 4.04Å; A120-L123 WeakPolarHBondContact O-CB 3.3Å; A120-L123 PolarHBondContact O-N 3.47Å; D121-L123 VanDerWaalsContact C-N 3.3Å; D121-L123 PolarHBondContact O-N 3.36Å; L123-N125 PolarHBondContact O-N 3.24Å; L123-K126 PolarHBondContact O-N 3.25Å; L123-K126 VanDerWaalsContact O-N 3.11Å; L123-H127 PolarHBondContact O-N 3.13Å
124	N	91.9	Very high	94.5	Very high	34 Å²	34	36.8 Å²	36.8	18%	0.182	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59	135.4	177.8	-71.1	-38.7	0	0	0	110.5	F93 D121 K126	F93-N124 WeakPolarHBondContact CD2-OD1 3.46Å; F93-N124 PolarHBondContact N-OD1 3.23Å; D121-N124 VanDerWaalsContact CA-ND2 3.33Å; D121-N124 WeakPolarHBondContact CA-ND2 3.29Å; D121-N124 WeakPolarHBondContact O-CB 3.4Å; D121-N124 PolarHBondContact O-N 3.18Å; D121-N124 PolarHBondContact O-ND2 3.19Å; D121-N124 PolarHBondContact OD1-ND2 3.33Å; N124-K126 PolarHBondContact O-N 3.11Å; N124-K126 VanDerWaalsContact O-N 3.16Å
125	N	89.9	Confident	94.2	Very high	123 Å²	123	39.1 Å²	39.1	66%	0.658	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.3	13.9	-176.4	-49.1	-44.5	0	0	0	115.3	F87 L123	F87-N125 VanDerWaalsContact CE1-C 3.43Å; F87-N125 WeakPolarHBondContact CZ-O 3.32Å; L123-N125 PolarHBondContact O-N 3.24Å
126	K	92.6	Very high	93.9	Very high	118 Å²	118	46.4 Å²	46.4	51%	0.513	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	-42.8	172.1	-63.9	178.8	-175	160.8	0	111.6	N103 E122 L123 N124	N103-K126 PolarHBondContact ND2-O 3.1Å; E122-K126 WeakPolarHBondContact O-CD 3.26Å; E122-K126 WeakPolarHBondContact O-CE 3.31Å; E122-K126 PolarHBondContact O-NZ 3.24Å; L123-K126 PolarHBondContact O-N 3.25Å; L123-K126 VanDerWaalsContact O-N 3.11Å; N124-K126 PolarHBondContact O-N 3.11Å; N124-K126 VanDerWaalsContact O-N 3.16Å
127	H	95.1	Very high	93.8	Very high	27 Å²	27	47.1 Å²	47.1	13%	0.125	25%	0.246	C	C	.	.	S	Bend	trans	-110.3	143.8	-178.4	-62	-81.6	0	0	0	112	F93 A100 M101 N103 F114 L123 I129	F93-H127 HydrophobicContact CE2-CB 4.21Å; F93-H127 HydrophobicContact CZ-CB 4.03Å; A100-H127 HydrophobicContact CB-CB 4.39Å; M101-H127 PolarHBondContact O-ND1 2.96Å; M101-H127 VanDerWaalsContact O-ND1 3.1Å; N103-H127 PolarHBondContact OD1-CE1 3.27Å; N103-H127 PolarHBondContact OD1-ND1 2.91Å; F114-H127 HydrophobicContact CE1-CB 4.07Å; F114-H127 AromaticContact CE1-CG 3.79Å; F114-H127 AromaticContact CE1-ND1 3.71Å; F114-H127 HydrophobicContact CZ-CB 3.95Å; F114-H127 AromaticContact CZ-CG 3.85Å; L123-H127 PolarHBondContact O-N 3.13Å; H127-I129 PolarHBondContact O-N 2.92Å
128	T	95.7	Very high	93.8	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	25%	0.249	C	C	.	.			trans	-79.5	112.2	177	-61.3	0	0	0	0	109.8	A33 A36 D85 E86 A100 M101	A33-T128 HydrophobicContact CB-CG2 4.14Å; A36-T128 HydrophobicContact CB-CG2 3.86Å; D85-T128 VanDerWaalsContact CA-OG1 3.3Å; D85-T128 WeakPolarHBondContact CA-OG1 2.88Å; E86-T128 HydrophobicContact CB-CG2 3.93Å; E86-T128 PolarHBondContact N-OG1 3.05Å; E86-T128 WeakPolarHBondContact O-CG2 3.47Å; A100-T128 CarbonylContact C-O 3.55Å; A100-T128 WeakPolarHBondContact CA-O 3.31Å; A100-T128 WeakPolarHBondContact CB-O 3.37Å; M101-T128 PolarHBondContact N-O 2.97Å
129	I	96.8	Very high	93.9	Very high	9 Å²	9	54.9 Å²	54.9	5%	0.046	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.5	170.9	-60.9	169.1	0	0	0	107.9	W29 L91 F93 A100 H127	W29-I129 HydrophobicContact CE3-CG2 3.92Å; W29-I129 HydrophobicContact CZ3-CG2 3.5Å; W29-I129 VanDerWaalsContact CZ3-CG2 3.5Å; L91-I129 HydrophobicContact CB-CB 4.22Å; L91-I129 HydrophobicContact CB-CD1 4.25Å; L91-I129 HydrophobicContact CB-CG2 4.35Å; F93-I129 HydrophobicContact CD1-CD1 3.86Å; F93-I129 HydrophobicContact CD1-CG1 4.14Å; F93-I129 HydrophobicContact CD2-CD1 3.92Å; F93-I129 HydrophobicContact CD2-CG1 4.41Å; F93-I129 HydrophobicContact CE1-CD1 3.76Å; F93-I129 HydrophobicContact CE1-CG1 3.5Å; F93-I129 HydrophobicContact CE2-CD1 3.78Å; F93-I129 HydrophobicContact CE2-CG1 3.78Å; F93-I129 HydrophobicContact CG-CD1 3.98Å; F93-I129 HydrophobicContact CZ-CD1 3.72Å; F93-I129 HydrophobicContact CZ-CG1 3.29Å; A100-I129 HydrophobicContact CB-CG1 4.23Å; H127-I129 PolarHBondContact O-N 2.92Å
130	F	96.8	Very high	93.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	-10.8	-176.7	72.6	-92.1	0	0	0	113.5	L28 W29 A33 A36 C37 F40 V99 M101 F113	L28-F130 WeakPolarHBondContact CA-O 3.2Å; L28-F130 HydrophobicContact CD2-CD2 3.75Å; L28-F130 HydrophobicContact CD2-CE2 3.83Å; W29-F130 PolarHBondContact N-O 3.08Å; A33-F130 HydrophobicContact CB-CB 3.9Å; A36-F130 HydrophobicContact CB-CB 3.7Å; A36-F130 HydrophobicContact CB-CD1 4.41Å; A36-F130 HydrophobicContact CB-CG 4.14Å; C37-F130 PolarHBondContact SG-O 3.3Å; C37-F130 VanDerWaalsContact SG-O 3.42Å; F40-F130 HydrophobicContact CB-CE2 3.99Å; F40-F130 HydrophobicContact CB-CZ 4.49Å; F40-F130 AromaticContact CD1-CE2 3.94Å; F40-F130 HydrophobicContact CD1-CE2 3.94Å; F40-F130 AromaticContact CD2-CE2 3.98Å; F40-F130 HydrophobicContact CD2-CE2 3.98Å; F40-F130 AromaticContact CD2-CZ 3.95Å; F40-F130 HydrophobicContact CD2-CZ 3.95Å; F40-F130 HydrophobicContact CE1-CE2 4.41Å; F40-F130 HydrophobicContact CE2-CE2 4.47Å; F40-F130 HydrophobicContact CE2-CZ 4.35Å; F40-F130 AromaticContact CG-CE2 3.69Å; F40-F130 HydrophobicContact CG-CE2 3.69Å; F40-F130 HydrophobicContact CG-CZ 4.13Å; V99-F130 HydrophobicContact CB-CE1 4.42Å; V99-F130 HydrophobicContact CB-CZ 4.22Å; V99-F130 HydrophobicContact CG1-CE1 3.78Å; V99-F130 HydrophobicContact CG1-CE2 4.09Å; V99-F130 HydrophobicContact CG1-CZ 3.42Å; V99-F130 VanDerWaalsContact CG1-CZ 3.42Å; V99-F130 PolarHBondContact O-N 3.39Å; V99-F130 VanDerWaalsContact O-N 3.09Å; M101-F130 HydrophobicContact CG-CD1 3.83Å; M101-F130 HydrophobicContact CG-CE1 4.02Å; M101-F130 HydrophobicContact SD-CD1 3.85Å; M101-F130 HydrophobicContact SD-CE1 3.5Å; M101-F130 VanDerWaalsContact SD-CE1 3.5Å; M101-F130 HydrophobicContact SD-CZ 4.24Å; F113-F130 HydrophobicContact CB-CE1 4.14Å; F113-F130 HydrophobicContact CB-CZ 4.27Å
131	G	96.3	Very high	93.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	176.4	177.2	0	0	0	0	0	114.5	E27 W29 V99	E27-G131 CarbonylContact O-C 3.58Å; E27-G131 WeakPolarHBondContact O-CA 3.34Å; W29-G131 VanDerWaalsContact CZ3-C 3.41Å; W29-G131 VanDerWaalsContact CZ3-O 3.26Å; W29-G131 WeakPolarHBondContact CZ3-O 3.28Å; V99-G131 PolarHBondContact N-O 3.1Å; V99-G131 PolarHBondContact O-N 2.99Å
132	K	95.8	Very high	93.8	Very high	32 Å²	32	47.5 Å²	47.5	14%	0.139	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	151	173.8	60.6	174.6	171.9	-171.8	0	110.7	E8 T11 I26 E27 W29 G97 L98	E8-K132 IonicContact OE2-NZ 2.68Å; E8-K132 PolarHBondContact OE2-NZ 3.49Å; T11-K132 HydrophobicContact CG2-CD 4.44Å; T11-K132 VanDerWaalsContact CG2-CE 3.5Å; T11-K132 HydrophobicContact CG2-CG 4.3Å; I26-K132 CarbonylContact C-O 3.46Å; I26-K132 WeakPolarHBondContact CA-O 3.32Å; E27-K132 HydrophobicContact CB-CG 4.23Å; E27-K132 PolarHBondContact N-O 3.2Å; E27-K132 PolarHBondContact O-N 3.41Å; E27-K132 VanDerWaalsContact OE2-CE 3.23Å; E27-K132 WeakPolarHBondContact OE2-CE 3.43Å; W29-K132 HydrophobicContact CH2-CB 3.76Å; W29-K132 HydrophobicContact CH2-CD 3.95Å; W29-K132 HydrophobicContact CH2-CG 3.95Å; W29-K132 HydrophobicContact CZ2-CB 4.39Å; W29-K132 HydrophobicContact CZ2-CD 3.77Å; W29-K132 HydrophobicContact CZ2-CG 4.08Å; W29-K132 HydrophobicContact CZ3-CB 4.16Å; G97-K132 CarbonylContact O-C 3.59Å; G97-K132 WeakPolarHBondContact O-CA 3.21Å; L98-K132 HydrophobicContact CD2-CB 4.13Å
133	V	96.4	Very high	93.9	Very high	4 Å²	4	48.6 Å²	48.6	2%	0.024	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	136.3	172.9	-178.1	0	0	0	0	109	I24 D25 G97 V99 F115 T137 L141	I24-V133 HydrophobicContact CG2-CG1 3.84Å; I24-V133 HydrophobicContact CG2-CG2 4.01Å; D25-V133 WeakPolarHBondContact O-CA 3.4Å; G97-V133 PolarHBondContact O-N 2.96Å; V99-V133 HydrophobicContact CG2-CG2 4.08Å; F115-V133 HydrophobicContact CD1-CG2 3.85Å; F115-V133 HydrophobicContact CE1-CG2 3.8Å; V133-T137 WeakPolarHBondContact CG1-OG1 3.43Å; V133-L141 HydrophobicContact CG2-CD2 4.25Å
134	T	95.1	Very high	93.8	Very high	15 Å²	15	47.8 Å²	47.8	9%	0.092	24%	0.239	C	C	.	.			trans	-65	149.6	175.3	57.4	0	0	0	0	111	D25 E27 D136 T137 I138	D25-T134 HydrophobicContact CB-CG2 3.85Å; D25-T134 WeakPolarHBondContact CB-OG1 3.46Å; D25-T134 PolarHBondContact O-N 3.46Å; D25-T134 PolarHBondContact O-OG1 3.21Å; E27-T134 HydrophobicContact CG-CG2 3.76Å; T134-D136 VanDerWaalsContact C-N 3.26Å; T134-D136 PolarHBondContact O-N 3.41Å; T134-T137 PolarHBondContact O-N 2.9Å; T134-T137 PolarHBondContact O-OG1 3.01Å; T134-T137 PolarHBondContact OG1-OG1 3.23Å; T134-I138 PolarHBondContact O-N 2.91Å
135	G	90	Very high	93.7	Very high	52 Å²	52	46.4 Å²	46.4	54%	0.536	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-54.7	-40.4	-177.2	0	0	0	0	0	113.7	T137 I138	G135-T137 VanDerWaalsContact C-N 3.28Å; G135-T137 PolarHBondContact O-N 2.94Å; G135-I138 VanDerWaalsContact O-CG2 3.26Å; G135-I138 WeakPolarHBondContact O-CG2 3.39Å; G135-I138 PolarHBondContact O-N 3.5Å
136	D	91.6	Very high	93.7	Very high	153 Å²	153	47.4 Å²	47.4	82%	0.818	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-66.8	-30.7	-174.5	-54.4	-15.8	0	0	0	112.6	T134	T134-D136 VanDerWaalsContact C-N 3.26Å; T134-D136 PolarHBondContact O-N 3.41Å
137	T	94.1	Very high	93.5	Very high	15 Å²	15	43.2 Å²	43.2	9%	0.092	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-100.2	3.2	-177.2	58.6	0	0	0	0	113.6	E23 D25 V133 T134 G135 Y139 N140	E23-T137 WeakPolarHBondContact O-CB 3.36Å; E23-T137 WeakPolarHBondContact O-CG2 3.37Å; D25-T137 HydrophobicContact CB-CG2 3.91Å; D25-T137 PolarHBondContact N-OG1 3.46Å; D25-T137 VanDerWaalsContact N-OG1 3.12Å; V133-T137 WeakPolarHBondContact CG1-OG1 3.43Å; T134-T137 PolarHBondContact O-N 2.9Å; T134-T137 PolarHBondContact O-OG1 3.01Å; T134-T137 PolarHBondContact OG1-OG1 3.23Å; G135-T137 VanDerWaalsContact C-N 3.28Å; G135-T137 PolarHBondContact O-N 2.94Å; T137-Y139 VanDerWaalsContact C-N 3.27Å; T137-Y139 PolarHBondContact O-N 3.07Å; T137-N140 PolarHBondContact O-N 3.25Å
138	I	94.1	Very high	93.3	Very high	24 Å²	24	49.3 Å²	49.3	12%	0.123	25%	0.245	C	C	.	.	H	α-helix	trans	-66.4	-28.3	-177	-149.5	166.3	0	0	0	113	R96 T134 G135 N140 L141 L142	R96-I138 HydrophobicContact CG-CD1 4.21Å; T134-I138 PolarHBondContact O-N 2.91Å; G135-I138 VanDerWaalsContact O-CG2 3.26Å; G135-I138 WeakPolarHBondContact O-CG2 3.39Å; G135-I138 PolarHBondContact O-N 3.5Å; I138-N140 VanDerWaalsContact C-N 3.32Å; I138-N140 PolarHBondContact O-N 3.34Å; I138-L141 WeakPolarHBondContact O-CB 3.25Å; I138-L141 PolarHBondContact O-N 3.45Å; I138-L142 PolarHBondContact O-N 3.28Å; I138-L142 VanDerWaalsContact O-N 3.16Å
139	Y	94.5	Very high	93.1	Very high	168 Å²	168	51.8 Å²	51.8	66%	0.659	26%	0.262	S	S	*	.	H	α-helix	trans	-66.9	-34.6	177.2	-68.9	-80.8	0	0	0	112.2	T137 L141 L142 R143	T137-Y139 VanDerWaalsContact C-N 3.27Å; T137-Y139 PolarHBondContact O-N 3.07Å; Y139-L141 VanDerWaalsContact C-N 3.25Å; Y139-L141 PolarHBondContact O-N 2.99Å; Y139-L142 PolarHBondContact O-N 3.48Å; Y139-R143 PolarHBondContact O-N 2.84Å
140	N	94.6	Very high	92.8	Very high	45 Å²	45	55.1 Å²	55.1	24%	0.241	28%	0.28	C	S	.	.	H	α-helix	trans	-66.8	-32.2	176.4	-63.4	-24.5	0	0	0	111.1	E23 I24 T137 I138 R143 L144	E23-N140 PolarHBondContact N-ND2 2.91Å; E23-N140 PolarHBondContact O-ND2 3.27Å; I24-N140 HydrophobicContact CG1-CB 4.16Å; T137-N140 PolarHBondContact O-N 3.25Å; I138-N140 VanDerWaalsContact C-N 3.32Å; I138-N140 PolarHBondContact O-N 3.34Å; N140-R143 PolarHBondContact O-N 3.23Å; N140-L144 PolarHBondContact O-N 2.9Å
141	L	92.6	Very high	92.3	Very high	2 Å²	2	60.2 Å²	60.2	1%	0.01	32%	0.322	C	S	.	.	H	α-helix	trans	-66.8	-43	171.6	174.6	65.1	0	0	0	111.9	I63 F115 L117 V133 I138 Y139 R143 L144	I63-L141 HydrophobicContact CD1-CD1 4.1Å; F115-L141 HydrophobicContact CB-CD1 3.44Å; F115-L141 VanDerWaalsContact CB-CD1 3.44Å; F115-L141 HydrophobicContact CB-CD2 3.96Å; F115-L141 HydrophobicContact CB-CG 4.31Å; F115-L141 HydrophobicContact CD1-CD1 4.01Å; F115-L141 HydrophobicContact CD1-CD2 4.31Å; F115-L141 HydrophobicContact CD2-CD1 3.63Å; F115-L141 HydrophobicContact CE2-CD1 4.34Å; F115-L141 HydrophobicContact CG-CD1 3.43Å; F115-L141 VanDerWaalsContact CG-CD1 3.43Å; F115-L141 HydrophobicContact CG-CD2 4.3Å; L117-L141 HydrophobicContact CD2-CG 4.26Å; V133-L141 HydrophobicContact CG2-CD2 4.25Å; I138-L141 WeakPolarHBondContact O-CB 3.25Å; I138-L141 PolarHBondContact O-N 3.45Å; Y139-L141 VanDerWaalsContact C-N 3.25Å; Y139-L141 PolarHBondContact O-N 2.99Å; L141-R143 VanDerWaalsContact C-N 3.27Å; L141-R143 PolarHBondContact O-N 2.92Å; L141-L144 HydrophobicContact CD1-CD1 4.15Å; L141-L144 VanDerWaalsContact O-CB 3.32Å; L141-L144 WeakPolarHBondContact O-CB 3.47Å; L141-L144 PolarHBondContact O-N 3.48Å; L141-L144 VanDerWaalsContact O-N 3.1Å
142	L	92.3	Very high	91.9	Very high	39 Å²	39	67 Å²	67	20%	0.204	36%	0.358	C	S	.	.	H	α-helix	trans	-63	-37.7	176.8	-65.8	174.9	0	0	0	111.4	L117 I138 Y139 L144 A145 E146	L117-L142 HydrophobicContact CD2-CD2 4.17Å; I138-L142 PolarHBondContact O-N 3.28Å; I138-L142 VanDerWaalsContact O-N 3.16Å; Y139-L142 PolarHBondContact O-N 3.48Å; L142-L144 PolarHBondContact O-N 2.88Å; L142-A145 WeakPolarHBondContact O-CA 3.38Å; L142-A145 WeakPolarHBondContact O-CB 3.42Å; L142-A145 PolarHBondContact O-N 3.2Å; L142-E146 PolarHBondContact O-N 3.39Å
143	R	92.5	Very high	91.6	Very high	142 Å²	142	69 Å²	69	54%	0.536	37%	0.368	S	S	.	.	H	α-helix	trans	-61.9	-29.2	174.2	-168.7	178.1	-177.5	177.1	5.5	113.2	A21 Y139 N140 L141 A145 E146	A21-R143 HydrophobicContact CB-CB 4.3Å; A21-R143 HydrophobicContact CB-CG 4.24Å; Y139-R143 PolarHBondContact O-N 2.84Å; N140-R143 PolarHBondContact O-N 3.23Å; L141-R143 VanDerWaalsContact C-N 3.27Å; L141-R143 PolarHBondContact O-N 2.92Å; R143-A145 PolarHBondContact O-N 2.88Å; R143-E146 PolarHBondContact O-N 3.49Å
144	L	90.6	Very high	91.4	Very high	2 Å²	2	73.8 Å²	73.8	1%	0.01	39%	0.385	C	S	.	.	H	α-helix	trans	-66.2	-25	172.2	-68.5	173.3	0	0	0	112.5	A21 I24 F54 I63 N140 L141 L142 H159	A21-L144 HydrophobicContact CB-CD2 3.42Å; A21-L144 VanDerWaalsContact CB-CD2 3.42Å; A21-L144 HydrophobicContact CB-CG 3.79Å; I24-L144 HydrophobicContact CD1-CD1 3.48Å; I24-L144 VanDerWaalsContact CD1-CD1 3.48Å; I24-L144 HydrophobicContact CD1-CG 4.45Å; F54-L144 HydrophobicContact CD2-CD1 4.34Å; F54-L144 HydrophobicContact CD2-CD2 3.97Å; F54-L144 HydrophobicContact CE2-CD1 3.82Å; F54-L144 HydrophobicContact CE2-CD2 3.89Å; F54-L144 HydrophobicContact CZ-CD1 4.01Å; I63-L144 HydrophobicContact CD1-CB 3.66Å; N140-L144 PolarHBondContact O-N 2.9Å; L141-L144 HydrophobicContact CD1-CD1 4.15Å; L141-L144 VanDerWaalsContact O-CB 3.32Å; L141-L144 WeakPolarHBondContact O-CB 3.47Å; L141-L144 PolarHBondContact O-N 3.48Å; L141-L144 VanDerWaalsContact O-N 3.1Å; L142-L144 PolarHBondContact O-N 2.88Å; L144-H159 HydrophobicContact CD2-CB 3.29Å; L144-H159 VanDerWaalsContact CD2-CG 3.45Å
145	A	89.7	Confident	91.3	Very high	4 Å²	4	73.2 Å²	73.2	3%	0.033	38%	0.382	C	S	.	.	H	α-helix	trans	-79	-25.5	177.4	0	0	0	0	0	112.6	Q59 I63 L117 L142 R143 V147	Q59-A145 PolarHBondContact OE1-O 3.45Å; Q59-A145 VanDerWaalsContact OE1-O 3.12Å; I63-A145 HydrophobicContact CD1-CB 3.96Å; L117-A145 HydrophobicContact CD1-CB 3.47Å; L117-A145 VanDerWaalsContact CD1-CB 3.47Å; L117-A145 HydrophobicContact CD2-CB 4.02Å; L117-A145 HydrophobicContact CG-CB 4.39Å; L142-A145 WeakPolarHBondContact O-CA 3.38Å; L142-A145 WeakPolarHBondContact O-CB 3.42Å; L142-A145 PolarHBondContact O-N 3.2Å; R143-A145 PolarHBondContact O-N 2.88Å; A145-V147 PolarHBondContact O-N 3.28Å
146	E	90.3	Very high	91.3	Very high	145 Å²	145	75.4 Å²	75.4	68%	0.678	38%	0.381	S	S	*	.			trans	-75.8	55.7	-175.6	-65.2	174.5	178.1	0	0	112.2	L142 R143	L142-E146 PolarHBondContact O-N 3.39Å; R143-E146 PolarHBondContact O-N 3.49Å
147	V	89.8	Confident	91.3	Very high	29 Å²	29	76.5 Å²	76.5	18%	0.176	38%	0.379	C	S	.	.	S	Bend	trans	-132.6	136.7	179.2	-167.9	0	0	0	0	110.7	A145 C149 P155 H159	A145-V147 PolarHBondContact O-N 3.28Å; V147-C149 PolarHBondContact O-N 2.81Å; V147-C149 PolarHBondContact O-SG 2.95Å; V147-P155 HydrophobicContact CB-CB 4.22Å; V147-P155 HydrophobicContact CG1-CB 3.72Å; V147-H159 VanDerWaalsContact CG2-CD2 3.49Å; V147-H159 WeakPolarHBondContact CG2-CD2 3.49Å; V147-H159 WeakPolarHBondContact CG2-NE2 3.39Å
148	E	90.5	Very high	91.2	Very high	155 Å²	155	77.4 Å²	77.4	72%	0.724	39%	0.385	S	S	*	.			trans	-63	125.8	172.4	-65	176.7	175	0	0	110.5	P155 L156	E148-P155 WeakPolarHBondContact O-CA 3.32Å; E148-L156 HydrophobicContact CB-CD1 4.08Å; E148-L156 PolarHBondContact O-N 3.33Å
149	C	90.8	Very high	91.2	Very high	53 Å²	53	78.1 Å²	78.1	36%	0.358	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-111.6	145.2	-176.3	-65	0	0	0	0	111.7	V147 R154	V147-C149 PolarHBondContact O-N 2.81Å; V147-C149 PolarHBondContact O-SG 2.95Å; C149-R154 WeakPolarHBondContact CA-O 3.42Å
150	D	89.8	Confident	91.2	Very high	79 Å²	79	75 Å²	75	42%	0.422	38%	0.377	S	S	.	.			trans	-76.4	175.3	173.7	-69.9	-29.7	0	0	0	112	N152 E153 R154 L156	D150-N152 PolarHBondContact O-N 3.26Å; D150-N152 VanDerWaalsContact O-N 3.08Å; D150-E153 PolarHBondContact O-N 3.03Å; D150-R154 PolarHBondContact N-O 2.99Å; D150-L156 WeakPolarHBondContact OD1-CD2 2.92Å
151	A	87.3	Confident	91.3	Very high	106 Å²	106	72.9 Å²	72.9	88%	0.876	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-22.8	176.3	0	0	0	0	0	114.4	E153	A151-E153 VanDerWaalsContact C-N 3.3Å
152	N	87.3	Confident	91.4	Very high	143 Å²	143	81 Å²	81	77%	0.765	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	20.1	176.4	-64.2	-33.4	0	0	0	112.7	D150 R154	D150-N152 PolarHBondContact O-N 3.26Å; D150-N152 VanDerWaalsContact O-N 3.08Å; N152-R154 PolarHBondContact O-N 3.12Å
153	E	89.9	Confident	91.6	Very high	73 Å²	73	81.7 Å²	81.7	34%	0.341	40%	0.402	S	S	.	.	S	Bend	trans	59.9	17.7	-178.2	-54.9	171.6	168.4	0	0	113.1	R56 V57 V58 D150 A151	R56-E153 CarbonylContact C-O 3.57Å; R56-E153 VanDerWaalsContact CA-O 3.31Å; R56-E153 WeakPolarHBondContact CA-O 3.49Å; R56-E153 HydrophobicContact CG-CB 4.05Å; R56-E153 IonicContact CZ-OE2 3.5Å; R56-E153 IonicContact NE-OE2 2.79Å; R56-E153 PolarHBondContact NE-OE2 2.96Å; R56-E153 IonicContact NH2-OE1 3.16Å; R56-E153 IonicContact NH2-OE2 2.92Å; R56-E153 PolarHBondContact NH2-OE2 2.99Å; V57-E153 PolarHBondContact N-O 3.47Å; V58-E153 HydrophobicContact CG2-CB 4.37Å; V58-E153 HydrophobicContact CG2-CG 4.28Å; V58-E153 WeakPolarHBondContact CG2-OE2 3.42Å; D150-E153 PolarHBondContact O-N 3.03Å; A151-E153 VanDerWaalsContact C-N 3.3Å
154	R	92.1	Very high	91.7	Very high	105 Å²	105	75.6 Å²	75.6	40%	0.396	38%	0.382	S	S	.	.			trans	-92.3	125.7	-179.6	-177.2	173.1	179.3	128.9	2.6	109.4	H55 G70 C149 D150 N152	H55-R154 WeakPolarHBondContact O-CA 3.22Å; G70-R154 PolarHBondContact O-NH1 3.37Å; C149-R154 WeakPolarHBondContact CA-O 3.42Å; D150-R154 PolarHBondContact N-O 2.99Å; N152-R154 PolarHBondContact O-N 3.12Å
155	P	92.5	Very high	91.9	Very high	4 Å²	4	79.2 Å²	79.2	3%	0.026	40%	0.399	C	S	.	.	B	Isolated β-bridge	trans	-64.4	137.6	176	-21.6	32.5	0	0	0	111.7	H55 V57 V147 E148 K157 P158	H55-P155 WeakPolarHBondContact O-CD 3.49Å; V57-P155 HydrophobicContact CB-CG 3.98Å; V57-P155 HydrophobicContact CG2-CG 3.49Å; V57-P155 VanDerWaalsContact CG2-CG 3.49Å; V147-P155 HydrophobicContact CB-CB 4.22Å; V147-P155 HydrophobicContact CG1-CB 3.72Å; E148-P155 WeakPolarHBondContact O-CA 3.32Å; P155-K157 VanDerWaalsContact C-N 3.26Å; P155-K157 PolarHBondContact O-N 3.25Å; P155-P158 HydrophobicContact CB-CB 4.25Å; P155-P158 WeakPolarHBondContact O-CD 3.06Å
156	L	91.4	Very high	92.1	Very high	98 Å²	98	81 Å²	81	51%	0.513	41%	0.41	S	S	.	.	S	Bend	trans	-59.9	-39.6	174.5	-77.2	172.5	0	0	0	111.7	E148 D150	E148-L156 HydrophobicContact CB-CD1 4.08Å; E148-L156 PolarHBondContact O-N 3.33Å; D150-L156 WeakPolarHBondContact OD1-CD2 2.92Å
157	K	91.7	Very high	92.3	Very high	176 Å²	176	78.5 Å²	78.5	77%	0.765	40%	0.401	S	S	*	.	S	Bend	trans	-124.4	82.1	176.7	-69.2	179.1	-176	168.7	0	109.3	P155 H159	P155-K157 VanDerWaalsContact C-N 3.26Å; P155-K157 PolarHBondContact O-N 3.25Å; K157-H159 PolarHBondContact O-N 2.96Å
158	P	90.9	Very high	92.5	Very high	34 Å²	34	82.2 Å²	82.2	22%	0.221	42%	0.415	C	S	.	.			trans	-69.8	135.1	-173.6	28.6	-34	0	0	0	111.1	I53 F54 P155	I53-P158 HydrophobicContact CB-CB 4.21Å; I53-P158 HydrophobicContact CB-CG 4.43Å; I53-P158 HydrophobicContact CD1-CB 4.34Å; I53-P158 HydrophobicContact CD1-CG 4.07Å; F54-P158 WeakPolarHBondContact O-CB 3.47Å; P155-P158 HydrophobicContact CB-CB 4.25Å; P155-P158 WeakPolarHBondContact O-CD 3.06Å
159	H	94.7	Very high	92.4	Very high	39 Å²	39	76.7 Å²	76.7	18%	0.181	39%	0.394	C	S	.	.			trans	-65.6	153.6	169.9	-72.9	-73.9	0	0	0	110.9	T20 I53 F54 L144 V147 K157	T20-H159 WeakPolarHBondContact OG1-CA 3.49Å; T20-H159 WeakPolarHBondContact OG1-CB 3.29Å; T20-H159 PolarHBondContact OG1-ND1 3.34Å; I53-H159 WeakPolarHBondContact CA-O 3.36Å; F54-H159 HydrophobicContact CD2-CB 3.88Å; F54-H159 PolarHBondContact N-O 3.22Å; L144-H159 HydrophobicContact CD2-CB 3.29Å; L144-H159 VanDerWaalsContact CD2-CG 3.45Å; V147-H159 VanDerWaalsContact CG2-CD2 3.49Å; V147-H159 WeakPolarHBondContact CG2-CD2 3.49Å; V147-H159 WeakPolarHBondContact CG2-NE2 3.39Å; K157-H159 PolarHBondContact O-N 2.96Å
160	K	95	Very high	92.3	Very high	101 Å²	101	75.8 Å²	75.8	44%	0.439	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-128	149	-177.4	-46.8	-162.8	178.3	-178.4	0	111.2	T19 T20 T52 I53	T19-K160 CarbonylContact C-O 3.54Å; T19-K160 WeakPolarHBondContact CA-O 3.33Å; T20-K160 HydrophobicContact CG2-CB 4.32Å; T20-K160 PolarHBondContact N-O 3.05Å; T20-K160 PolarHBondContact OG1-N 2.95Å; T52-K160 CarbonylContact O-C 3.54Å; T52-K160 WeakPolarHBondContact O-CA 3.31Å; T52-K160 WeakPolarHBondContact O-CB 3.42Å; I53-K160 HydrophobicContact CB-CG 4.48Å; I53-K160 HydrophobicContact CG2-CD 3.76Å; I53-K160 HydrophobicContact CG2-CG 3.75Å
161	I	96.4	Very high	92.3	Very high	1 Å²	1	74 Å²	74	1%	0.005	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	122.9	166.2	-56.2	177.4	0	0	0	106.7	L17 T19 Y49 G51 T52 F54 F113	L17-I161 HydrophobicContact CD1-CD1 4.37Å; T19-I161 HydrophobicContact CG2-CG1 4.27Å; Y49-I161 WeakPolarHBondContact O-CB 3.28Å; G51-I161 VanDerWaalsContact CA-O 3.24Å; G51-I161 WeakPolarHBondContact CA-O 3.41Å; G51-I161 PolarHBondContact N-O 3.25Å; T52-I161 PolarHBondContact O-N 2.97Å; F54-I161 HydrophobicContact CE2-CG1 4.03Å; F54-I161 HydrophobicContact CZ-CD1 4.05Å; F54-I161 HydrophobicContact CZ-CG1 3.82Å; F113-I161 HydrophobicContact CZ-CD1 4.06Å
162	R	94.9	Very high	92.4	Very high	173 Å²	173	76.9 Å²	76.9	65%	0.653	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.1	-56.2	177.1	-68.4	-176.9	166.6	-178.5	-2.4	110.1	K18	K18-R162 WeakPolarHBondContact O-CA 3.3Å; K18-R162 WeakPolarHBondContact O-CB 3.38Å; K18-R162 PolarHBondContact O-N 2.94Å
163	T	95.3	Very high	92.5	Very high	54 Å²	54	74.2 Å²	74.2	33%	0.331	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	150.8	179.1	58.5	0	0	0	0	110.1	K18 D50	K18-T163 PolarHBondContact N-O 3.39Å; K18-T163 PolarHBondContact O-N 2.91Å; D50-T163 WeakPolarHBondContact OD1-CA 3.11Å
164	A	95.1	Very high	92.4	Very high	14 Å²	14	71.4 Å²	71.4	12%	0.116	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.8	170.5	0	0	0	0	0	110.2	L17 C44 D50	L17-A164 HydrophobicContact CD2-CB 3.55Å; C44-A164 HydrophobicContact CB-CB 3.9Å; D50-A164 PolarHBondContact OD1-N 2.91Å
165	E	94.4	Very high	92.2	Very high	77 Å²	77	73.1 Å²	73.1	36%	0.36	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.8	-178.9	-73.5	169.8	-160.3	0	0	109.9	V15 L16 K18 L167	V15-E165 CarbonylContact C-O 3.52Å; L16-E165 HydrophobicContact CB-CB 4.38Å; L16-E165 PolarHBondContact N-O 3.32Å; L16-E165 PolarHBondContact O-N 2.84Å; K18-E165 WeakPolarHBondContact CE-OE2 3.21Å; K18-E165 IonicContact NZ-OE1 3.87Å; K18-E165 PolarHBondContact NZ-OE1 3.32Å; K18-E165 IonicContact NZ-OE2 2.68Å; K18-E165 PolarHBondContact NZ-OE2 3.25Å; E165-L167 PolarHBondContact O-N 3.16Å
166	V	94.9	Very high	91.9	Very high	43 Å²	43	75.5 Å²	75.5	26%	0.261	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	108.2	176	-178	0	0	0	0	108.5	V15 V41 C44 M45	V15-V166 HydrophobicContact CG2-CG1 4.44Å; V15-V166 HydrophobicContact CG2-CG2 4.33Å; V41-V166 HydrophobicContact CG1-CG1 4.12Å; V41-V166 HydrophobicContact CG1-CG2 4.18Å; C44-V166 HydrophobicContact CB-CG2 3.93Å; M45-V166 HydrophobicContact CG-CG2 3.81Å
167	L	94	Very high	91.6	Very high	92 Å²	92	75.9 Å²	75.9	48%	0.482	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	-40.7	-179.4	-63.9	179.8	0	0	0	111.8	K14 L16 E165	K14-L167 HydrophobicContact CB-CB 4.31Å; K14-L167 HydrophobicContact CD-CD1 3.88Å; K14-L167 HydrophobicContact CG-CB 4.43Å; K14-L167 HydrophobicContact CG-CD1 4.11Å; K14-L167 PolarHBondContact O-N 3.1Å; L16-L167 HydrophobicContact CB-CD1 3.94Å; L16-L167 HydrophobicContact CB-CD2 4.34Å; L16-L167 HydrophobicContact CB-CG 3.96Å; E165-L167 PolarHBondContact O-N 3.16Å
168	H	93.2	Very high	90.8	Very high	106 Å²	106	73.3 Å²	73.3	49%	0.491	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	112	177.8	180	61.7	0	0	0	109.5	G13 K14	G13-H168 VanDerWaalsContact CA-O 3.31Å; G13-H168 WeakPolarHBondContact CA-O 3.23Å; K14-H168 HydrophobicContact CB-CB 4.2Å; K14-H168 PolarHBondContact N-O 3.19Å; K14-H168 PolarHBondContact O-N 3.49Å
169	S	89.6	Confident	89.6	Confident	39 Å²	39	73.5 Å²	73.5	27%	0.273	37%	0.367	S	S	.	.			trans	-89.3	123.6	173.2	-173	0	0	0	0	109.8	F171	S169-F171 VanDerWaalsContact C-N 3.26Å; S169-F171 PolarHBondContact OG-N 2.99Å; S169-F171 PolarHBondContact OG-O 3.41Å
170	P	88	Confident	87.9	Confident	35 Å²	35	80 Å²	80	23%	0.227	39%	0.394	C	S	.	.	S	Bend	trans	-83.7	-2.5	173.1	34.5	-34.1	0	0	0	112.9
171	F	90.7	Very high	86.1	Confident	42 Å²	42	82 Å²	82	18%	0.184	40%	0.403	C	S	.	.			trans	-121.5	126.2	-177.7	-56.8	-73.1	0	0	0	109.9	C37 R38 S169 I174	C37-F171 HydrophobicContact CB-CE2 4.04Å; C37-F171 HydrophobicContact CB-CZ 4.44Å; R38-F171 HydrophobicContact CB-CD2 4.45Å; R38-F171 HydrophobicContact CB-CE2 4.15Å; R38-F171 HydrophobicContact CB-CZ 4.41Å; S169-F171 VanDerWaalsContact C-N 3.26Å; S169-F171 PolarHBondContact OG-N 2.99Å; S169-F171 PolarHBondContact OG-O 3.41Å; F171-I174 HydrophobicContact CB-CD1 3.58Å; F171-I174 HydrophobicContact CB-CG1 3.76Å; F171-I174 HydrophobicContact CD2-CD1 3.86Å; F171-I174 HydrophobicContact CG-CD1 4.06Å
172	D	87.9	Confident	84	Confident	166 Å²	166	84 Å²	84	89%	0.888	42%	0.417	S	S	*	.	S	Bend	trans	-90.8	-17	179.9	-59.9	-33.3	0	0	0	112.6
173	D	90.5	Very high	82	Confident	86 Å²	86	82 Å²	82	46%	0.46	41%	0.41	S	S	.	.			trans	-93.6	10.2	-172.2	72.1	-30	0	0	0	113.9	R38 I175	R38-D173 IonicContact CZ-OD1 3.6Å; R38-D173 IonicContact CZ-OD2 3.1Å; R38-D173 IonicContact NH1-OD1 3.56Å; R38-D173 IonicContact NH1-OD2 2.73Å; R38-D173 PolarHBondContact NH1-OD2 2.91Å; R38-D173 IonicContact NH2-OD1 3.51Å; R38-D173 IonicContact NH2-OD2 2.74Å; R38-D173 PolarHBondContact NH2-OD2 2.92Å; D173-I175 PolarHBondContact O-N 3.39Å
174	I	87.7	Confident	80	Confident	15 Å²	15	86.2 Å²	86.2	8%	0.077	42%	0.423	C	S	.	.			trans	-84.5	112.6	-179.8	-61.3	-179.9	0	0	0	109.4	R38 V41 Q42 M45 F171	R38-I174 HydrophobicContact CG-CD1 4.07Å; R38-I174 HydrophobicContact CG-CG1 4.26Å; V41-I174 HydrophobicContact CB-CD1 4.09Å; V41-I174 HydrophobicContact CG1-CD1 3.76Å; Q42-I174 HydrophobicContact CB-CG2 3.67Å; Q42-I174 HydrophobicContact CG-CG2 3.76Å; M45-I174 HydrophobicContact SD-CB 4.47Å; M45-I174 HydrophobicContact SD-CG2 3.84Å; F171-I174 HydrophobicContact CB-CD1 3.58Å; F171-I174 HydrophobicContact CB-CG1 3.76Å; F171-I174 HydrophobicContact CD2-CD1 3.86Å; F171-I174 HydrophobicContact CG-CD1 4.06Å
175	I	86.8	Confident	78.2	Confident	141 Å²	141	92 Å²	92	72%	0.723	45%	0.448	S	S	*	.			trans	-107.2	114.2	171.1	-58	173.4	0	0	0	107.8	D173	D173-I175 PolarHBondContact O-N 3.39Å
176	P	86.1	Confident	76.4	Confident	54 Å²	54	94.2 Å²	94.2	35%	0.351	46%	0.456	S	S	.	.			trans	-61.1	138.5	177.9	-23.5	34.4	0	0	0	111.8	M45 E46	M45-P176 HydrophobicContact CB-CB 4.39Å; M45-P176 HydrophobicContact CB-CG 3.8Å; M45-P176 HydrophobicContact CE-CG 3.91Å; M45-P176 HydrophobicContact SD-CG 4.39Å; E46-P176 HydrophobicContact CG-CB 3.95Å
177	R	85.1	Confident	74.5	Confident	106 Å²	106	96.4 Å²	96.4	40%	0.4	47%	0.467	S	S	.	.			trans	-75.7	143.9	172.9	-62.2	171.6	-64.6	172.8	10.6	109.9	E46 I78 T179	E46-R177 VanDerWaalsContact OE1-CB 3.27Å; E46-R177 WeakPolarHBondContact OE1-CB 3.16Å; E46-R177 WeakPolarHBondContact OE1-CG 3.49Å; E46-R177 IonicContact OE1-CZ 3.75Å; E46-R177 PolarHBondContact OE1-N 3.42Å; E46-R177 IonicContact OE1-NE 2.91Å; E46-R177 PolarHBondContact OE1-NE 2.92Å; E46-R177 IonicContact OE1-NH2 3.69Å; E46-R177 IonicContact OE2-CZ 3.6Å; E46-R177 IonicContact OE2-NE 3.4Å; E46-R177 PolarHBondContact OE2-NE 3.5Å; E46-R177 IonicContact OE2-NH2 2.89Å; E46-R177 PolarHBondContact OE2-NH2 2.9Å; I78-R177 PolarHBondContact O-NH1 3.43Å; R177-T179 PolarHBondContact O-N 3.29Å
178	E	75.6	Confident	72.9	Confident	121 Å²	121	98.9 Å²	98.9	57%	0.565	47%	0.474	S	S	*	.			trans	-69.1	104	169.2	-65.8	-168.6	162.6	0	0	109.9	R183	E178-R183 IonicContact OE2-CZ 3.27Å; E178-R183 VanDerWaalsContact OE2-CZ 3.27Å; E178-R183 IonicContact OE2-NE 2.97Å; E178-R183 PolarHBondContact OE2-NE 3.32Å; E178-R183 IonicContact OE2-NH2 2.72Å; E178-R183 PolarHBondContact OE2-NH2 3Å
179	T	65.4	Low	71.1	Confident	39 Å²	39	99.4 Å²	99.4	24%	0.239	48%	0.476	C	S	.	.			trans	-67.2	141.8	177.7	57.3	0	0	0	0	110.8	E46 R177 K181 S182 R183	E46-T179 HydrophobicContact CB-CG2 4.06Å; R177-T179 PolarHBondContact O-N 3.29Å; T179-K181 PolarHBondContact O-N 3.33Å; T179-S182 PolarHBondContact O-N 3.41Å; T179-S182 VanDerWaalsContact O-N 3.1Å; T179-S182 PolarHBondContact O-OG 2.8Å; T179-R183 PolarHBondContact O-N 3.12Å
180	K	58.4	Low	69.6	Low	174 Å²	174	103.9 Å²	103.9	76%	0.757	49%	0.493	S	S	*	.	H	α-helix	trans	-59.9	-19.3	177.7	-69.8	-179.7	-179.6	174.6	0	113.5	K184	K180-K184 WeakPolarHBondContact O-CB 3.33Å; K180-K184 WeakPolarHBondContact O-CG 3.49Å; K180-K184 PolarHBondContact O-N 3.44Å
181	K	57.1	Low	68.2	Low	145 Å²	145	106.4 Å²	106.4	63%	0.63	51%	0.507	S	S	*	.	H	α-helix	trans	-68.8	-45.4	174.5	-77.8	-177.4	179.3	175.6	0	111.3	T179 R183 K184 E185	T179-K181 PolarHBondContact O-N 3.33Å; K181-R183 VanDerWaalsContact C-N 3.32Å; K181-R183 PolarHBondContact O-N 2.94Å; K181-K184 PolarHBondContact O-N 3.31Å; K181-E185 WeakPolarHBondContact O-CB 3.37Å; K181-E185 WeakPolarHBondContact O-CG 3.49Å; K181-E185 PolarHBondContact O-N 3.36Å
182	S	54.2	Low	66.6	Low	42 Å²	42	112.7 Å²	112.7	29%	0.294	54%	0.535	S	S	.	.	H	α-helix	trans	-67.2	-33.9	176.1	62.5	0	0	0	0	111.9	T179 K186	T179-S182 PolarHBondContact O-N 3.41Å; T179-S182 VanDerWaalsContact O-N 3.1Å; T179-S182 PolarHBondContact O-OG 2.8Å; S182-K186 VanDerWaalsContact O-CB 3.31Å; S182-K186 WeakPolarHBondContact O-CB 3.19Å; S182-K186 VanDerWaalsContact O-CG 3.22Å; S182-K186 WeakPolarHBondContact O-CG 3.45Å; S182-K186 PolarHBondContact O-N 2.96Å
183	R	51.9	Low	65.1	Low	131 Å²	131	111.9 Å²	111.9	49%	0.494	52%	0.523	S	S	.	.	H	α-helix	trans	-64.6	-49.4	169.4	-70.3	-174.2	-178.8	175.8	-0.3	112.3	E178 T179 K181 E185 K186 D187	E178-R183 IonicContact OE2-CZ 3.27Å; E178-R183 VanDerWaalsContact OE2-CZ 3.27Å; E178-R183 IonicContact OE2-NE 2.97Å; E178-R183 PolarHBondContact OE2-NE 3.32Å; E178-R183 IonicContact OE2-NH2 2.72Å; E178-R183 PolarHBondContact OE2-NH2 3Å; T179-R183 PolarHBondContact O-N 3.12Å; K181-R183 VanDerWaalsContact C-N 3.32Å; K181-R183 PolarHBondContact O-N 2.94Å; R183-E185 VanDerWaalsContact C-N 3.29Å; R183-E185 PolarHBondContact O-N 2.99Å; R183-K186 PolarHBondContact O-N 3.48Å; R183-D187 WeakPolarHBondContact O-CB 3.33Å; R183-D187 PolarHBondContact O-N 3.15Å; R183-D187 VanDerWaalsContact O-OD2 3.14Å
184	K	53.2	Low	63.4	Low	142 Å²	142	112.2 Å²	112.2	62%	0.617	53%	0.533	S	S	*	.	H	α-helix	trans	-63	-31.9	177.3	-81.2	-176.5	178	-178.4	0	113.7	K180 K181 K188	K180-K184 WeakPolarHBondContact O-CB 3.33Å; K180-K184 WeakPolarHBondContact O-CG 3.49Å; K180-K184 PolarHBondContact O-N 3.44Å; K181-K184 PolarHBondContact O-N 3.31Å; K184-K188 VanDerWaalsContact O-CB 3.25Å; K184-K188 WeakPolarHBondContact O-CB 3.32Å; K184-K188 WeakPolarHBondContact O-CD 3.32Å; K184-K188 WeakPolarHBondContact O-CG 3.48Å; K184-K188 PolarHBondContact O-N 2.95Å
185	E	58	Low	61.7	Low	137 Å²	137	119.6 Å²	119.6	64%	0.64	57%	0.567	S	S	*	*	H	α-helix	trans	-73.5	-44.3	174.3	-76.5	178.6	174.1	0	0	111.3	K181 R183 K188 E189	K181-E185 WeakPolarHBondContact O-CB 3.37Å; K181-E185 WeakPolarHBondContact O-CG 3.49Å; K181-E185 PolarHBondContact O-N 3.36Å; R183-E185 VanDerWaalsContact C-N 3.29Å; R183-E185 PolarHBondContact O-N 2.99Å; E185-K188 PolarHBondContact O-N 2.94Å; E185-E189 WeakPolarHBondContact O-CB 3.5Å; E185-E189 PolarHBondContact O-N 3.12Å
186	K	55.2	Low	60.1	Low	122 Å²	122	117 Å²	117	53%	0.53	56%	0.561	S	S	.	*	H	α-helix	trans	-59.5	-46.5	171.6	-75	177.3	179.4	-175.5	0	112	S182 R183 K188 E189 E190	S182-K186 VanDerWaalsContact O-CB 3.31Å; S182-K186 WeakPolarHBondContact O-CB 3.19Å; S182-K186 VanDerWaalsContact O-CG 3.22Å; S182-K186 WeakPolarHBondContact O-CG 3.45Å; S182-K186 PolarHBondContact O-N 2.96Å; R183-K186 PolarHBondContact O-N 3.48Å; K186-K188 VanDerWaalsContact C-N 3.32Å; K186-K188 PolarHBondContact O-N 2.91Å; K186-E189 PolarHBondContact O-N 3.29Å; K186-E189 VanDerWaalsContact O-N 3.14Å; K186-E190 WeakPolarHBondContact O-CB 3.37Å; K186-E190 WeakPolarHBondContact O-CG 3.33Å; K186-E190 PolarHBondContact O-N 3.04Å
187	D	56.1	Low	58.6	Low	90 Å²	90	123.4 Å²	123.4	48%	0.481	58%	0.583	S	S	.	*	H	α-helix	trans	-62.6	-38.8	177.2	-62.1	-23.2	0	0	0	111	R183 V191	R183-D187 WeakPolarHBondContact O-CB 3.33Å; R183-D187 PolarHBondContact O-N 3.15Å; R183-D187 VanDerWaalsContact O-OD2 3.14Å; D187-V191 VanDerWaalsContact O-CB 3.3Å; D187-V191 WeakPolarHBondContact O-CB 3.21Å; D187-V191 WeakPolarHBondContact O-CG2 3.28Å; D187-V191 PolarHBondContact O-N 3.08Å
188	K	59.4	Low	56.9	Low	144 Å²	144	122.6 Å²	122.6	63%	0.626	60%	0.6	S	S	*	*	H	α-helix	trans	-70.5	-32.2	175	-79.4	174.9	-179.9	-174.7	0	112.9	K184 E185 K186 K192	K184-K188 VanDerWaalsContact O-CB 3.25Å; K184-K188 WeakPolarHBondContact O-CB 3.32Å; K184-K188 WeakPolarHBondContact O-CD 3.32Å; K184-K188 WeakPolarHBondContact O-CG 3.48Å; K184-K188 PolarHBondContact O-N 2.95Å; E185-K188 PolarHBondContact O-N 2.94Å; K186-K188 VanDerWaalsContact C-N 3.32Å; K186-K188 PolarHBondContact O-N 2.91Å; K188-K192 WeakPolarHBondContact O-CB 3.08Å; K188-K192 WeakPolarHBondContact O-CG 3.4Å; K188-K192 PolarHBondContact O-N 3.16Å; K188-K192 VanDerWaalsContact O-N 3.1Å
189	E	57	Low	56	Low	117 Å²	117	122.3 Å²	122.3	55%	0.547	61%	0.606	S	S	.	*	H	α-helix	trans	-74.6	-38.1	176.5	-140.1	-179.2	-179	0	0	111.4	E185 K186 K192 K193	E185-E189 WeakPolarHBondContact O-CB 3.5Å; E185-E189 PolarHBondContact O-N 3.12Å; K186-E189 PolarHBondContact O-N 3.29Å; K186-E189 VanDerWaalsContact O-N 3.14Å; E189-K192 PolarHBondContact O-N 3.07Å; E189-K193 WeakPolarHBondContact O-CG 3.33Å; E189-K193 PolarHBondContact O-N 3.26Å
190	E	58.1	Low	55.8	Low	132 Å²	132	127.3 Å²	127.3	62%	0.617	62%	0.624	S	S	*	*	H	α-helix	trans	-69.5	-39.4	173.5	-74	-171.8	175.8	0	0	112.3	K186 K192 K193 S194	K186-E190 WeakPolarHBondContact O-CB 3.37Å; K186-E190 WeakPolarHBondContact O-CG 3.33Å; K186-E190 PolarHBondContact O-N 3.04Å; E190-K192 VanDerWaalsContact C-N 3.31Å; E190-K192 PolarHBondContact O-N 3.07Å; E190-K193 PolarHBondContact O-N 3.43Å; E190-S194 PolarHBondContact O-N 3.48Å; E190-S194 PolarHBondContact O-OG 3.33Å; E190-S194 VanDerWaalsContact O-OG 3.13Å
191	V	58.3	Low	55.7	Low	88 Å²	88	124.9 Å²	124.9	53%	0.533	62%	0.62	S	S	.	*	H	α-helix	trans	-66.4	-32.1	172.8	172.2	0	0	0	0	111.8	D187 S194	D187-V191 VanDerWaalsContact O-CB 3.3Å; D187-V191 WeakPolarHBondContact O-CB 3.21Å; D187-V191 WeakPolarHBondContact O-CG2 3.28Å; D187-V191 PolarHBondContact O-N 3.08Å; V191-S194 PolarHBondContact O-OG 3.15Å
192	K	56.8	Low	55.7	Low	174 Å²	174	120.9 Å²	120.9	76%	0.757	60%	0.602	S	S	*	*	H	α-helix	trans	-74.7	-30.2	172.7	-79.4	-179.5	177.5	-175.7	0	113.2	K188 E189 E190	K188-K192 WeakPolarHBondContact O-CB 3.08Å; K188-K192 WeakPolarHBondContact O-CG 3.4Å; K188-K192 PolarHBondContact O-N 3.16Å; K188-K192 VanDerWaalsContact O-N 3.1Å; E189-K192 PolarHBondContact O-N 3.07Å; E190-K192 VanDerWaalsContact C-N 3.31Å; E190-K192 PolarHBondContact O-N 3.07Å
193	K	55.6	Low	56	Low	149 Å²	149	125.9 Å²	125.9	65%	0.648	63%	0.626	S	S	*	*	H	α-helix	trans	-76.8	-27.6	174.7	-80.5	175.3	178.2	168.1	0	113.1	E189 E190 S196	E189-K193 WeakPolarHBondContact O-CG 3.33Å; E189-K193 PolarHBondContact O-N 3.26Å; E190-K193 PolarHBondContact O-N 3.43Å; K193-S196 PolarHBondContact O-OG 3.28Å
194	S	55.2	Low	56.2	Low	94 Å²	94	127.1 Å²	127.1	66%	0.657	64%	0.642	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85	-6	179.6	61	0	0	0	0	115	E190 V191	E190-S194 PolarHBondContact O-N 3.48Å; E190-S194 PolarHBondContact O-OG 3.33Å; E190-S194 VanDerWaalsContact O-OG 3.13Å; V191-S194 PolarHBondContact O-OG 3.15Å
195	Q	52.4	Low	56.8	Low	169 Å²	169	126.3 Å²	126.3	79%	0.79	64%	0.643	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.5	13.1	173.4	-77.2	-161.5	-33.4	0	0	114.9
196	S	53.5	Low	56.9	Low	86 Å²	86	125.6 Å²	125.6	60%	0.601	65%	0.653	S	S	*	*			trans	-93.3	125	173	66.8	0	0	0	0	112.1	K193	K193-S196 PolarHBondContact O-OG 3.28Å
197	K	54.1	Low	56.9	Low	189 Å²	189	127.5 Å²	127.5	82%	0.822	66%	0.662	S	S	*	*			trans	92.3	63.9	170	-51.4	-175.8	-176.6	-174.8	0	116.1	T199	K197-T199 PolarHBondContact O-N 3.44Å
198	A	48.7	Very low	57.2	Low	90 Å²	90	123.3 Å²	123.3	74%	0.744	64%	0.641	S	S	*	*			trans	-69.9	103.3	142.9	0	0	0	0	0	107.2	K200	A198-K200 PolarHBondContact O-N 2.9Å
199	T	57.8	Low	57.4	Low	115 Å²	115	123.5 Å²	123.5	71%	0.706	64%	0.643	S	S	*	*			trans	-64.1	98.9	174.7	-34.8	0	0	0	0	108.1	K197 N201	K197-T199 PolarHBondContact O-N 3.44Å; T199-N201 PolarHBondContact O-N 3.02Å
200	K	60.1	Low	57.8	Low	143 Å²	143	124.1 Å²	124.1	62%	0.622	65%	0.647	S	S	*	*			trans	-79.2	103.2	171	-66.5	177.8	-173.5	172.2	0	106.4	A198 F202	A198-K200 PolarHBondContact O-N 2.9Å; K200-F202 HydrophobicContact CB-CD2 3.9Å; K200-F202 HydrophobicContact CB-CE2 3.48Å; K200-F202 VanDerWaalsContact CB-CE2 3.48Å; K200-F202 HydrophobicContact CB-CZ 3.87Å; K200-F202 HydrophobicContact CD-CE1 4.47Å; K200-F202 HydrophobicContact CD-CE2 3.88Å; K200-F202 HydrophobicContact CD-CZ 3.58Å; K200-F202 HydrophobicContact CG-CE2 4.36Å; K200-F202 HydrophobicContact CG-CZ 4.41Å; K200-F202 VanDerWaalsContact O-CD2 3.26Å; K200-F202 WeakPolarHBondContact O-CD2 3.34Å; K200-F202 PolarHBondContact O-N 3.03Å
201	N	58.1	Low	58.2	Low	124 Å²	124	119.7 Å²	119.7	66%	0.663	63%	0.633	S	S	*	*			trans	-73.8	93.3	172.9	-62.9	-34.7	0	0	0	108	T199 N203	T199-N201 PolarHBondContact O-N 3.02Å; N201-N203 PolarHBondContact O-N 3.25Å
202	F	56.3	Low	58.6	Low	60 Å²	60	120 Å²	120	26%	0.263	63%	0.628	S	S	.	*	G	3₁₀ helix	trans	-72.6	-14.5	-179.7	-74.9	-78.1	0	0	0	113.5	K200 L204 L205	K200-F202 HydrophobicContact CB-CD2 3.9Å; K200-F202 HydrophobicContact CB-CE2 3.48Å; K200-F202 VanDerWaalsContact CB-CE2 3.48Å; K200-F202 HydrophobicContact CB-CZ 3.87Å; K200-F202 HydrophobicContact CD-CE1 4.47Å; K200-F202 HydrophobicContact CD-CE2 3.88Å; K200-F202 HydrophobicContact CD-CZ 3.58Å; K200-F202 HydrophobicContact CG-CE2 4.36Å; K200-F202 HydrophobicContact CG-CZ 4.41Å; K200-F202 VanDerWaalsContact O-CD2 3.26Å; K200-F202 WeakPolarHBondContact O-CD2 3.34Å; K200-F202 PolarHBondContact O-N 3.03Å; F202-L204 PolarHBondContact O-N 2.68Å; F202-L205 PolarHBondContact O-N 3.27Å; F202-L205 VanDerWaalsContact O-N 3.16Å
203	N	59.3	Low	59	Low	147 Å²	147	117 Å²	117	79%	0.786	62%	0.617	S	S	*	*	G	3₁₀ helix	trans	-65.9	1.2	176.3	-93.6	7.1	0	0	0	116.3	N201	N201-N203 PolarHBondContact O-N 3.25Å
204	L	58.2	Low	59.4	Low	157 Å²	157	113.9 Å²	113.9	82%	0.822	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-94.5	-9	174.9	-126.7	127.4	0	0	0	113	F202	F202-L204 PolarHBondContact O-N 2.68Å
205	L	65.7	Low	60	Low	125 Å²	125	115 Å²	115	65%	0.654	60%	0.602	S	S	*	*	S	Bend	trans	-117.5	131.9	177	-69.8	165	0	0	0	108.4	F202 F207 G208	F202-L205 PolarHBondContact O-N 3.27Å; F202-L205 VanDerWaalsContact O-N 3.16Å; L205-F207 PolarHBondContact O-N 3.34Å; L205-G208 PolarHBondContact O-N 3.09Å
206	S	59	Low	61	Low	122 Å²	122	111.9 Å²	111.9	85%	0.853	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-0.3	177.8	-175.8	0	0	0	0	114.9
207	F	54.8	Low	61.5	Low	162 Å²	162	112.9 Å²	112.9	71%	0.711	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.8	10.8	178.7	-61.5	-77.2	0	0	0	112.4	L205	L205-F207 PolarHBondContact O-N 3.34Å
208	G	63.8	Low	62.2	Low	3 Å²	3	108.7 Å²	108.7	3%	0.031	57%	0.574	C	S	.	*	H	α-helix	trans	-72	-32.3	-175.1	0	0	0	0	0	114.4	L205 A211 E212	L205-G208 PolarHBondContact O-N 3.09Å; G208-A211 PolarHBondContact O-N 2.96Å; G208-E212 WeakPolarHBondContact O-CB 3.42Å; G208-E212 PolarHBondContact O-N 3.36Å
209	E	63.4	Low	63.4	Low	147 Å²	147	107.8 Å²	107.8	69%	0.687	56%	0.559	S	S	*	*	H	α-helix	trans	-69.4	-45.9	-175.5	-167.4	170.1	-176.5	0	0	111.8	A211 E212 E213	E209-A211 VanDerWaalsContact C-N 3.32Å; E209-A211 PolarHBondContact O-N 3.02Å; E209-E212 PolarHBondContact O-N 3.33Å; E209-E213 WeakPolarHBondContact O-CG 3.5Å; E209-E213 PolarHBondContact O-N 3.33Å
210	E	65.1	Low	64.1	Low	131 Å²	131	107.8 Å²	107.8	61%	0.612	55%	0.551	S	S	*	*	H	α-helix	trans	-64.3	-36.3	176.9	-170.8	178.4	-175.5	0	0	112	D214	E210-D214 WeakPolarHBondContact O-CB 3.34Å; E210-D214 PolarHBondContact O-N 2.79Å
211	A	65.4	Low	64.5	Low	39 Å²	39	104.3 Å²	104.3	32%	0.322	54%	0.542	S	S	.	.	H	α-helix	trans	-73.2	-30.4	177.9	0	0	0	0	0	113	G208 E209 E215	G208-A211 PolarHBondContact O-N 2.96Å; E209-A211 VanDerWaalsContact C-N 3.32Å; E209-A211 PolarHBondContact O-N 3.02Å; A211-E215 PolarHBondContact O-N 3.21Å; A211-E215 VanDerWaalsContact O-N 3.15Å
212	E	66.5	Low	65.1	Low	94 Å²	94	101.8 Å²	101.8	44%	0.439	53%	0.534	S	S	.	.	H	α-helix	trans	-72.3	-43.5	174.1	-170.8	165	-162.1	0	0	110.5	G208 E209 D214 E215 E216	G208-E212 WeakPolarHBondContact O-CB 3.42Å; G208-E212 PolarHBondContact O-N 3.36Å; E209-E212 PolarHBondContact O-N 3.33Å; E212-D214 VanDerWaalsContact C-N 3.34Å; E212-D214 PolarHBondContact O-N 3.12Å; E212-E215 PolarHBondContact O-N 3.21Å; E212-E216 WeakPolarHBondContact O-CG 3.43Å; E212-E216 PolarHBondContact O-N 2.77Å
213	E	65.6	Low	65.9	Low	112 Å²	112	105.6 Å²	105.6	52%	0.523	55%	0.552	S	S	.	*	H	α-helix	trans	-59.4	-42	173.4	-73.3	-176.6	165.8	0	0	112.3	E209 E216 M217	E209-E213 WeakPolarHBondContact O-CG 3.5Å; E209-E213 PolarHBondContact O-N 3.33Å; E213-E216 PolarHBondContact O-N 3.42Å; E213-M217 WeakPolarHBondContact O-CG 3.35Å; E213-M217 PolarHBondContact O-N 2.79Å
214	D	64.8	Low	66.3	Low	83 Å²	83	103.2 Å²	103.2	44%	0.444	54%	0.543	S	S	.	.	H	α-helix	trans	-66.1	-41	176.7	-85.5	-15.5	0	0	0	112.8	E210 E212 E216 M217 V218	E210-D214 WeakPolarHBondContact O-CB 3.34Å; E210-D214 PolarHBondContact O-N 2.79Å; E212-D214 VanDerWaalsContact C-N 3.34Å; E212-D214 PolarHBondContact O-N 3.12Å; D214-E216 VanDerWaalsContact C-N 3.34Å; D214-M217 PolarHBondContact O-N 3.49Å; D214-M217 WeakPolarHBondContact OD1-CE 3.33Å; D214-V218 VanDerWaalsContact O-CG2 3.26Å; D214-V218 WeakPolarHBondContact O-CG2 3.23Å; D214-V218 PolarHBondContact O-N 3.27Å
215	E	68.4	Low	66.5	Low	117 Å²	117	97.2 Å²	97.2	55%	0.547	51%	0.512	S	S	.	.	H	α-helix	trans	-66.4	-37.1	175	-78.8	-166.7	172.2	0	0	111.5	A211 E212 V218 T219	A211-E215 PolarHBondContact O-N 3.21Å; A211-E215 VanDerWaalsContact O-N 3.15Å; E212-E215 PolarHBondContact O-N 3.21Å; E215-V218 PolarHBondContact O-N 3.31Å; E215-T219 VanDerWaalsContact O-CG2 3.31Å; E215-T219 WeakPolarHBondContact O-CG2 3.38Å; E215-T219 PolarHBondContact O-N 3.33Å; E215-T219 PolarHBondContact O-OG1 2.85Å; E215-T219 VanDerWaalsContact O-OG1 3.05Å
216	E	71.6	Confident	66.2	Low	103 Å²	103	100 Å²	100	48%	0.481	52%	0.519	S	S	.	.	H	α-helix	trans	-64.1	-43.4	173	-73.9	-170.4	172.6	0	0	112	E212 E213 D214 V218 T219 Q220	E212-E216 WeakPolarHBondContact O-CG 3.43Å; E212-E216 PolarHBondContact O-N 2.77Å; E213-E216 PolarHBondContact O-N 3.42Å; D214-E216 VanDerWaalsContact C-N 3.34Å; E216-V218 PolarHBondContact O-N 3.2Å; E216-T219 WeakPolarHBondContact CA-OG1 3.37Å; E216-T219 PolarHBondContact O-N 3.29Å; E216-T219 PolarHBondContact O-OG1 3.3Å; E216-Q220 WeakPolarHBondContact O-CB 3.43Å; E216-Q220 VanDerWaalsContact O-CG 3.28Å; E216-Q220 WeakPolarHBondContact O-CG 3.25Å; E216-Q220 PolarHBondContact O-N 3.45Å
217	M	65.4	Low	66.4	Low	107 Å²	107	98.2 Å²	98.2	53%	0.527	52%	0.52	S	S	.	.	H	α-helix	trans	-62	-44.2	174.5	-76.3	-156.8	-72.9	0	0	112	E213 D214 T219 Q220 V221	E213-M217 WeakPolarHBondContact O-CG 3.35Å; E213-M217 PolarHBondContact O-N 2.79Å; D214-M217 PolarHBondContact O-N 3.49Å; D214-M217 WeakPolarHBondContact OD1-CE 3.33Å; M217-T219 VanDerWaalsContact C-N 3.32Å; M217-T219 PolarHBondContact O-N 3.3Å; M217-Q220 PolarHBondContact O-N 2.86Å; M217-V221 WeakPolarHBondContact O-CB 3.44Å; M217-V221 VanDerWaalsContact O-CG2 3.25Å; M217-V221 WeakPolarHBondContact O-CG2 3.38Å; M217-V221 PolarHBondContact O-N 3.41Å
218	V	68.9	Low	66.9	Low	102 Å²	102	97.2 Å²	97.2	62%	0.618	52%	0.515	S	S	*	.	H	α-helix	trans	-63.7	-39.3	178.5	170.8	0	0	0	0	111.4	D214 E215 E216 V221 S222	D214-V218 VanDerWaalsContact O-CG2 3.26Å; D214-V218 WeakPolarHBondContact O-CG2 3.23Å; D214-V218 PolarHBondContact O-N 3.27Å; E215-V218 PolarHBondContact O-N 3.31Å; E216-V218 PolarHBondContact O-N 3.2Å; V218-V221 PolarHBondContact O-N 3.37Å; V218-S222 WeakPolarHBondContact O-CB 3.48Å; V218-S222 PolarHBondContact O-N 2.82Å
219	T	73.8	Confident	66.6	Low	71 Å²	71	102.5 Å²	102.5	44%	0.436	55%	0.552	S	S	.	*	H	α-helix	trans	-68.3	-41.8	177.1	53.5	0	0	0	0	111.7	E215 E216 M217 S222 Q223	E215-T219 VanDerWaalsContact O-CG2 3.31Å; E215-T219 WeakPolarHBondContact O-CG2 3.38Å; E215-T219 PolarHBondContact O-N 3.33Å; E215-T219 PolarHBondContact O-OG1 2.85Å; E215-T219 VanDerWaalsContact O-OG1 3.05Å; E216-T219 WeakPolarHBondContact CA-OG1 3.37Å; E216-T219 PolarHBondContact O-N 3.29Å; E216-T219 PolarHBondContact O-OG1 3.3Å; M217-T219 VanDerWaalsContact C-N 3.32Å; M217-T219 PolarHBondContact O-N 3.3Å; T219-S222 PolarHBondContact O-N 3.37Å; T219-S222 PolarHBondContact O-OG 3.18Å; T219-Q223 WeakPolarHBondContact O-CG 3.46Å; T219-Q223 PolarHBondContact O-N 3.1Å
220	Q	72.6	Confident	66.5	Low	115 Å²	115	104.1 Å²	104.1	54%	0.537	56%	0.556	S	S	.	*	H	α-helix	trans	-62.2	-43.7	173.9	-70.2	178.4	31.6	0	0	112.2	E216 M217 S222 Q223 T224	E216-Q220 WeakPolarHBondContact O-CB 3.43Å; E216-Q220 VanDerWaalsContact O-CG 3.28Å; E216-Q220 WeakPolarHBondContact O-CG 3.25Å; E216-Q220 PolarHBondContact O-N 3.45Å; M217-Q220 PolarHBondContact O-N 2.86Å; Q220-S222 VanDerWaalsContact C-N 3.32Å; Q220-S222 PolarHBondContact O-N 3.39Å; Q220-Q223 PolarHBondContact O-N 3.47Å; Q220-T224 WeakPolarHBondContact O-CG2 3.33Å; Q220-T224 PolarHBondContact O-N 3.36Å; Q220-T224 PolarHBondContact O-OG1 2.88Å; Q220-T224 VanDerWaalsContact O-OG1 3.09Å
221	V	67.2	Low	66.2	Low	70 Å²	70	101.1 Å²	101.1	42%	0.424	55%	0.55	S	S	.	.	H	α-helix	trans	-62	-39.9	175.1	170.7	0	0	0	0	111.2	M217 V218 Q223 T224 L225	M217-V221 WeakPolarHBondContact O-CB 3.44Å; M217-V221 VanDerWaalsContact O-CG2 3.25Å; M217-V221 WeakPolarHBondContact O-CG2 3.38Å; M217-V221 PolarHBondContact O-N 3.41Å; V218-V221 PolarHBondContact O-N 3.37Å; V221-Q223 VanDerWaalsContact C-N 3.32Å; V221-Q223 PolarHBondContact O-N 2.99Å; V221-T224 WeakPolarHBondContact CA-OG1 3.45Å; V221-T224 PolarHBondContact O-N 3.12Å; V221-T224 PolarHBondContact O-OG1 3.17Å; V221-L225 HydrophobicContact CG1-CD1 3.54Å; V221-L225 WeakPolarHBondContact O-CB 3.49Å; V221-L225 WeakPolarHBondContact O-CD1 3.38Å; V221-L225 WeakPolarHBondContact O-CG 3.36Å; V221-L225 PolarHBondContact O-N 3.06Å; V221-L225 VanDerWaalsContact O-N 3.13Å
222	S	70.5	Confident	65.8	Low	71 Å²	71	104 Å²	104	50%	0.497	57%	0.568	S	S	.	*	H	α-helix	trans	-66.7	-32.7	176.9	79.9	0	0	0	0	113.1	V218 T219 Q220 K226	V218-S222 WeakPolarHBondContact O-CB 3.48Å; V218-S222 PolarHBondContact O-N 2.82Å; T219-S222 PolarHBondContact O-N 3.37Å; T219-S222 PolarHBondContact O-OG 3.18Å; Q220-S222 VanDerWaalsContact C-N 3.32Å; Q220-S222 PolarHBondContact O-N 3.39Å; S222-K226 PolarHBondContact O-N 2.98Å
223	Q	73	Confident	65.3	Low	139 Å²	139	106.9 Å²	106.9	65%	0.65	58%	0.581	S	S	*	*	H	α-helix	trans	-74.2	-44	176.5	-71.9	179.8	16.3	0	0	111.6	T219 Q220 V221 L225 K226	T219-Q223 WeakPolarHBondContact O-CG 3.46Å; T219-Q223 PolarHBondContact O-N 3.1Å; Q220-Q223 PolarHBondContact O-N 3.47Å; V221-Q223 VanDerWaalsContact C-N 3.32Å; V221-Q223 PolarHBondContact O-N 2.99Å; Q223-L225 VanDerWaalsContact C-N 3.28Å; Q223-L225 PolarHBondContact O-N 3.07Å; Q223-K226 WeakPolarHBondContact O-CB 3.34Å; Q223-K226 PolarHBondContact O-N 2.87Å
224	T	68.3	Low	65	Low	97 Å²	97	104.7 Å²	104.7	60%	0.595	57%	0.573	S	S	*	*	H	α-helix	trans	-67.4	-27.6	-179.8	53.4	0	0	0	0	113.3	Q220 V221	Q220-T224 WeakPolarHBondContact O-CG2 3.33Å; Q220-T224 PolarHBondContact O-N 3.36Å; Q220-T224 PolarHBondContact O-OG1 2.88Å; Q220-T224 VanDerWaalsContact O-OG1 3.09Å; V221-T224 WeakPolarHBondContact CA-OG1 3.45Å; V221-T224 PolarHBondContact O-N 3.12Å; V221-T224 PolarHBondContact O-OG1 3.17Å
225	L	62.8	Low	64.6	Low	32 Å²	32	106 Å²	106	17%	0.168	58%	0.579	C	S	.	*	T	Hydrogen-bonded Turn	trans	-94.3	5	178.4	-67.2	165.2	0	0	0	113.7	V221 Q223 G227 K228 L235	V221-L225 HydrophobicContact CG1-CD1 3.54Å; V221-L225 WeakPolarHBondContact O-CB 3.49Å; V221-L225 WeakPolarHBondContact O-CD1 3.38Å; V221-L225 WeakPolarHBondContact O-CG 3.36Å; V221-L225 PolarHBondContact O-N 3.06Å; V221-L225 VanDerWaalsContact O-N 3.13Å; Q223-L225 VanDerWaalsContact C-N 3.28Å; Q223-L225 PolarHBondContact O-N 3.07Å; L225-G227 PolarHBondContact O-N 3.38Å; L225-G227 VanDerWaalsContact O-N 3.08Å; L225-K228 PolarHBondContact O-N 2.91Å; L225-L235 HydrophobicContact CD1-CD2 4.06Å
226	K	60.3	Low	64	Low	184 Å²	184	105.3 Å²	105.3	80%	0.8	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.1	110.4	-179.6	-159.1	173	-176.1	-179.1	0	110.2	S222 Q223	S222-K226 PolarHBondContact O-N 2.98Å; Q223-K226 WeakPolarHBondContact O-CB 3.34Å; Q223-K226 PolarHBondContact O-N 2.87Å
227	G	62	Low	63.4	Low	84 Å²	84	107.7 Å²	107.7	87%	0.866	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	98.2	1.3	177.8	0	0	0	0	0	116	L225	L225-G227 PolarHBondContact O-N 3.38Å; L225-G227 VanDerWaalsContact O-N 3.08Å
228	K	65.6	Low	62.9	Low	140 Å²	140	109.9 Å²	109.9	61%	0.609	60%	0.601	S	S	*	*	S	Bend	trans	-110.7	134	175.6	-65.3	164.7	-176.5	169.1	0	109.9	L225 K230	L225-K228 PolarHBondContact O-N 2.91Å; K228-K230 PolarHBondContact O-N 2.83Å
229	S	56.5	Low	62.5	Low	115 Å²	115	108.5 Å²	108.5	80%	0.804	59%	0.591	S	S	*	*			trans	-67.2	122.7	177.8	51.5	0	0	0	0	110.3	S231	S229-S231 PolarHBondContact O-N 3.02Å; S229-S231 VanDerWaalsContact O-N 3.09Å
230	K	61.8	Low	62.1	Low	181 Å²	181	111.4 Å²	111.4	79%	0.787	61%	0.61	S	S	*	*			trans	-65	107.6	-178.1	-60.6	-178.2	179	-174.7	0	110.3	K228	K228-K230 PolarHBondContact O-N 2.83Å
231	S	59.9	Low	61.5	Low	68 Å²	68	116.9 Å²	116.9	48%	0.476	63%	0.626	S	S	.	*			trans	-99.6	135.7	163.9	178.4	0	0	0	0	108	S229 H233 D234	S229-S231 PolarHBondContact O-N 3.02Å; S229-S231 VanDerWaalsContact O-N 3.09Å; S231-H233 PolarHBondContact O-N 2.95Å; S231-D234 PolarHBondContact O-N 3.08Å
232	S	56.6	Low	61	Low	100 Å²	100	118.7 Å²	118.7	70%	0.699	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	-14	178.4	47.9	0	0	0	0	113.7	L236	S232-L236 WeakPolarHBondContact O-CD1 3.39Å
233	H	55.1	Low	60.6	Low	153 Å²	153	120.2 Å²	120.2	71%	0.708	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	-13.2	178.2	-130.9	59.1	0	0	0	114.5	S231	S231-H233 PolarHBondContact O-N 2.95Å
234	D	60.1	Low	59.8	Low	66 Å²	66	119.6 Å²	119.6	35%	0.353	65%	0.654	S	S	.	*	S	Bend	trans	-90.7	-7.9	-177.2	-152.4	29.8	0	0	0	112.8	S231 K237	S231-D234 PolarHBondContact O-N 3.08Å; D234-K237 WeakPolarHBondContact OD1-CE 3.15Å; D234-K237 IonicContact OD1-NZ 3.65Å; D234-K237 PolarHBondContact OD1-NZ 3.38Å; D234-K237 IonicContact OD2-NZ 3.86Å
235	L	55.7	Low	59.3	Low	112 Å²	112	120.2 Å²	120.2	59%	0.586	66%	0.658	S	S	*	*	S	Bend	trans	-95	0.2	179.1	-64.2	174.4	0	0	0	113.7	L225	L225-L235 HydrophobicContact CD1-CD2 4.06Å
236	L	57.4	Low	59	Low	102 Å²	102	123.9 Å²	123.9	53%	0.534	68%	0.684	S	S	.	*			trans	-113.1	36.7	-177.9	-76.2	103.8	0	0	0	112.8	S232 D238	S232-L236 WeakPolarHBondContact O-CD1 3.39Å; L236-D238 PolarHBondContact O-N 3.14Å
237	K	57	Low	58.6	Low	152 Å²	152	120.3 Å²	120.3	66%	0.661	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.3	-5.2	-178.9	-72.2	-178.8	-176.9	165.4	0	114.4	D234	D234-K237 WeakPolarHBondContact OD1-CE 3.15Å; D234-K237 IonicContact OD1-NZ 3.65Å; D234-K237 PolarHBondContact OD1-NZ 3.38Å; D234-K237 IonicContact OD2-NZ 3.86Å
238	D	55.7	Low	57.9	Low	153 Å²	153	122.1 Å²	122.1	82%	0.818	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	4.5	-174.8	-53.3	-41.2	0	0	0	113.9	L236 P240	L236-D238 PolarHBondContact O-N 3.14Å; D238-P240 WeakPolarHBondContact O-CD 3.26Å
239	D	61.1	Low	57	Low	74 Å²	74	125.4 Å²	125.4	40%	0.396	70%	0.697	S	S	.	*			trans	-100.9	106.6	178.4	-162.2	-11	0	0	0	111.8	R241 L242	D239-R241 PolarHBondContact O-N 3.21Å; D239-L242 HydrophobicContact CB-CD1 4.35Å; D239-L242 PolarHBondContact O-N 2.99Å
240	P	64.7	Low	56.4	Low	131 Å²	131	123.4 Å²	123.4	85%	0.851	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	5.1	-175.3	25.6	-33.3	0	0	0	114.9	D238	D238-P240 WeakPolarHBondContact O-CD 3.26Å
241	R	60.6	Low	55.3	Low	230 Å²	230	124.9 Å²	124.9	87%	0.868	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.5	-4.8	175.2	-77.6	-179	144.1	121.6	-3.7	114.8	D239	D239-R241 PolarHBondContact O-N 3.21Å
242	L	56.2	Low	54.2	Low	109 Å²	109	131.6 Å²	131.6	57%	0.571	72%	0.721	S	S	*	*			trans	-117.7	120.2	-173.4	-78.2	158.3	0	0	0	112	D239	D239-L242 HydrophobicContact CB-CD1 4.35Å; D239-L242 PolarHBondContact O-N 2.99Å
243	S	61.4	Low	53	Low	103 Å²	103	137.1 Å²	137.1	72%	0.72	73%	0.732	S	S	*	*			trans	-86.3	131.9	176.8	64.4	0	0	0	0	111.7	V245	S243-V245 PolarHBondContact O-N 3.37Å; S243-V245 VanDerWaalsContact O-N 3.13Å
244	S	57.3	Low	51.9	Low	125 Å²	125	134.1 Å²	134.1	87%	0.874	73%	0.734	S	S	*	*			trans	-78	16.6	-179.9	57.2	0	0	0	0	115.3
245	V	57.8	Low	50.5	Low	111 Å²	111	142.8 Å²	142.8	67%	0.673	76%	0.762	S	S	*	*	S	Bend	trans	-99.7	121.2	-177.9	-174	0	0	0	0	109.9	S243 A247	S243-V245 PolarHBondContact O-N 3.37Å; S243-V245 VanDerWaalsContact O-N 3.13Å; V245-A247 PolarHBondContact O-N 3.15Å
246	P	56.2	Low	49.4	Very low	109 Å²	109	145.8 Å²	145.8	71%	0.708	78%	0.778	S	S	*	*			trans	-68.6	132.2	178.1	25.4	-30.4	0	0	0	111.1	V248	P246-V248 PolarHBondContact O-N 3.03Å
247	A	53.1	Low	48.1	Very low	108 Å²	108	144.6 Å²	144.6	89%	0.893	79%	0.79	S	S	*	*	S	Bend	trans	-71.6	2.1	-170.8	0	0	0	0	0	116	V245	V245-A247 PolarHBondContact O-N 3.15Å
248	V	47	Very low	46.8	Very low	122 Å²	122	145.4 Å²	145.4	74%	0.739	80%	0.802	S	S	*	*			trans	-139.3	119.9	-176	-173.7	0	0	0	0	111.6	P246 G250	P246-V248 PolarHBondContact O-N 3.03Å; V248-G250 PolarHBondContact O-N 3.44Å
249	K	45.9	Very low	45.5	Very low	210 Å²	210	142.6 Å²	142.6	91%	0.913	80%	0.799	S	S	*	*			trans	-76.4	103.5	170.2	-71.4	-176.7	178.3	179	0	109.9
250	G	44.5	Very low	44	Very low	72 Å²	72	144.3 Å²	144.3	74%	0.742	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-70	127.2	173.8	0	0	0	0	0	112.6	V248	V248-G250 PolarHBondContact O-N 3.44Å
251	K	37.4	Very low	42.2	Very low	212 Å²	212	145.5 Å²	145.5	92%	0.922	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-66.3	129.8	177.2	-74.2	179.3	174.5	177.1	0	111.6
252	K	36.5	Very low	40.6	Very low	210 Å²	210	140 Å²	140	91%	0.913	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-65.3	136.1	169.4	-74.1	-179.6	175	177.6	0	111
253	K	32.3	Very low	39.3	Very low	216 Å²	216	138.2 Å²	138.2	94%	0.939	82%	0.821	S	S	*	*			trans	-128.1	142.6	156.9	-101.4	-171.7	177.7	-178.3	0	110.5
254	A	31.9	Very low	37.8	Very low	90 Å²	90	138.5 Å²	138.5	74%	0.744	82%	0.823	S	S	*	*			trans	-66.4	148.6	-156.1	0	0	0	0	0	116.7
255	R	31.7	Very low	36.5	Very low	247 Å²	247	141.1 Å²	141.1	93%	0.932	82%	0.822	S	S	*	*			trans	-131.7	124.5	140.6	-93	-174	171.5	-174.8	-3	108.7
256	L	31.6	Very low	35.2	Very low	176 Å²	176	140.1 Å²	140.1	92%	0.921	83%	0.825	S	S	*	*			trans	-66	143.2	167.3	-81.1	91.3	0	0	0	110.2
257	G	30.4	Very low	33.9	Very low	77 Å²	77	141.8 Å²	141.8	79%	0.794	83%	0.828	S	S	*	*			trans	-173.9	116.9	166.4	0	0	0	0	0	108.9
258	N	29.3	Very low	32.8	Very low	169 Å²	169	143.5 Å²	143.5	90%	0.904	82%	0.822	S	S	*	*			trans	-66.8	154.9	-168.8	-109	-6.3	0	0	0	115.2
259	A	29.5	Very low	31.9	Very low	93 Å²	93	141.1 Å²	141.1	77%	0.769	82%	0.822	S	S	*	*			trans	-2.5	147.9	152.7	0	0	0	0	0	119.5
260	S	28.9	Very low	31.4	Very low	111 Å²	111	138.6 Å²	138.6	78%	0.776	82%	0.819	S	S	*	*			cis	-171	140.1	41.3	51.2	0	0	0	0	114.4
261	N	27	Very low	30.7	Very low	155 Å²	155	141.8 Å²	141.8	83%	0.829	82%	0.819	S	S	*	*			trans	71.7	146.6	132.3	-149.5	34.2	0	0	0	125.4
262	S	27.6	Very low	30.9	Very low	115 Å²	115	141.1 Å²	141.1	80%	0.804	82%	0.819	S	S	*	*			trans	78.4	130.7	170.7	74.4	0	0	0	0	116.2
263	G	27.7	Very low	31	Very low	72 Å²	72	135.7 Å²	135.7	74%	0.742	81%	0.808	S	S	*	*			cis	163.8	132.8	6.4	0	0	0	0	0	102.7
264	S	30.6	Very low	31.8	Very low	109 Å²	109	130.5 Å²	130.5	76%	0.762	79%	0.79	S	S	*	*				169.4	135.6	73	47	0	0	0	0	109.8
265	E	29	Very low	32.8	Very low	180 Å²	180	130.4 Å²	130.4	84%	0.841	78%	0.784	S	S	*	*			trans	54.5	112.2	131.8	-54.9	-81.2	137.5	0	0	120.1
266	A	30.6	Very low	33.6	Very low	90 Å²	90	125.1 Å²	125.1	74%	0.744	77%	0.77	S	S	*	*				90.8	144.9	98.1	0	0	0	0	0	111
267	D	28.9	Very low	34.6	Very low	144 Å²	144	123.7 Å²	123.7	77%	0.77	76%	0.758	S	S	*	*			cis	-173.3	125.6	15.5	-160.2	40.7	0	0	0	103.3
268	D	31	Very low	35.8	Very low	143 Å²	143	126.2 Å²	126.2	77%	0.765	75%	0.748	S	S	*	*				96.9	143.3	95.1	-155	16.9	0	0	0	114.9
269	G	28.3	Very low	37.1	Very low	72 Å²	72	124.7 Å²	124.7	74%	0.742	74%	0.735	S	S	*	*			trans	146.6	90	176.4	0	0	0	0	0	116.3
270	D	34.3	Very low	38.7	Very low	157 Å²	157	128.5 Å²	128.5	84%	0.84	73%	0.73	S	S	*	*			trans	-60.2	157.1	171.3	-70.4	-45.1	0	0	0	115.4
271	D	30.8	Very low	40	Very low	139 Å²	139	129.4 Å²	129.4	74%	0.743	72%	0.723	S	S	*	*			trans	-157.1	105.4	138.4	-151.7	-28.6	0	0	0	111.8	S273	D271-S273 PolarHBondContact OD1-OG 3.03Å
272	E	40.9	Very low	41.7	Very low	198 Å²	198	130.5 Å²	130.5	93%	0.925	72%	0.716	S	S	*	*			trans	-80.2	101.8	163.1	-82.8	-168.2	139	0	0	109.7
273	S	39.8	Very low	43.2	Very low	97 Å²	97	131.1 Å²	131.1	68%	0.678	71%	0.706	S	S	*	*			trans	-157.8	21.5	171.8	47.7	0	0	0	0	117.6	D271	D271-S273 PolarHBondContact OD1-OG 3.03Å
274	D	47.5	Very low	44.8	Very low	106 Å²	106	133.3 Å²	133.3	57%	0.567	70%	0.7	S	S	*	*			trans	-129	29.1	-172.8	-156.5	18.7	0	0	0	116.7
275	S	53.1	Low	46.3	Very low	88 Å²	88	132.8 Å²	132.8	62%	0.615	69%	0.687	S	S	*	*	S	Bend	trans	-85.4	-30.4	178.1	53.9	0	0	0	0	114.3
276	E	49.2	Very low	47.8	Very low	137 Å²	137	127 Å²	127	64%	0.64	67%	0.667	S	S	*	*	H	α-helix	trans	-83.6	-33	-170.7	-63.9	-169	170.2	0	0	114.2	K278	E276-K278 VanDerWaalsContact C-N 3.29Å; E276-K278 PolarHBondContact O-N 3.23Å
277	E	53.3	Low	49.2	Very low	145 Å²	145	129.8 Å²	129.8	68%	0.678	66%	0.662	S	S	*	*	H	α-helix	trans	-69.9	-30.7	177.5	-69.5	-163.9	144.7	0	0	112.2	E279 M281	E277-E279 PolarHBondContact O-N 2.72Å; E277-M281 PolarHBondContact O-N 3.02Å
278	K	54	Low	50.5	Low	130 Å²	130	130.9 Å²	130.9	57%	0.565	66%	0.66	S	S	*	*	H	α-helix	trans	-70	-29.7	-179.6	-149.9	169.7	-168.8	163.2	0	113.2	E276 R282	E276-K278 VanDerWaalsContact C-N 3.29Å; E276-K278 PolarHBondContact O-N 3.23Å; K278-R282 WeakPolarHBondContact O-CG 3.4Å; K278-R282 PolarHBondContact O-N 3.3Å
279	E	57.1	Low	51.5	Low	137 Å²	137	129.4 Å²	129.4	64%	0.64	65%	0.652	S	S	*	*	H	α-helix	trans	-78	-39.5	177.8	-69.5	-170.5	159.6	0	0	111.9	E277 M281 R282 E283	E277-E279 PolarHBondContact O-N 2.72Å; E279-M281 VanDerWaalsContact C-N 3.33Å; E279-M281 PolarHBondContact O-N 3.23Å; E279-R282 PolarHBondContact O-N 3.44Å; E279-R282 VanDerWaalsContact O-N 3.14Å; E279-E283 PolarHBondContact O-N 3.18Å
280	R	63.4	Low	52.5	Low	174 Å²	174	134.5 Å²	134.5	66%	0.657	65%	0.653	S	S	*	*	H	α-helix	trans	-62.9	-38.2	176.5	-66.3	-179.8	-175.9	175.8	5.4	112.4	L284	R280-L284 WeakPolarHBondContact O-CG 3.39Å; R280-L284 PolarHBondContact O-N 2.86Å
281	M	56.3	Low	53.1	Low	130 Å²	130	135.9 Å²	135.9	64%	0.64	65%	0.652	S	S	*	*	H	α-helix	trans	-67.2	-33.4	174.9	-100.2	-138.2	-83.1	0	0	113.1	E277 E279 I285	E277-M281 PolarHBondContact O-N 3.02Å; E279-M281 VanDerWaalsContact C-N 3.33Å; E279-M281 PolarHBondContact O-N 3.23Å; M281-I285 VanDerWaalsContact O-CD1 3.28Å; M281-I285 WeakPolarHBondContact O-CD1 3.43Å; M281-I285 WeakPolarHBondContact O-CG1 3.05Å; M281-I285 PolarHBondContact O-N 2.78Å
282	R	62.2	Low	53.9	Low	177 Å²	177	137.7 Å²	137.7	67%	0.668	66%	0.656	S	S	*	*	H	α-helix	trans	-69.2	-38.5	177.7	-77.3	176.3	175.3	-169.2	-0.3	112.6	K278 E279 I285 S286	K278-R282 WeakPolarHBondContact O-CG 3.4Å; K278-R282 PolarHBondContact O-N 3.3Å; E279-R282 PolarHBondContact O-N 3.44Å; E279-R282 VanDerWaalsContact O-N 3.14Å; R282-I285 PolarHBondContact O-N 3.46Å; R282-S286 PolarHBondContact O-N 2.94Å; R282-S286 VanDerWaalsContact O-N 3.07Å
283	E	58.9	Low	54	Low	128 Å²	128	137.5 Å²	137.5	60%	0.598	65%	0.652	S	S	*	*	H	α-helix	trans	-66.3	-39.3	177.1	-71.7	-163.2	154.7	0	0	112.5	E279 S286 K287	E279-E283 PolarHBondContact O-N 3.18Å; E283-S286 PolarHBondContact O-N 2.8Å; E283-S286 PolarHBondContact O-OG 2.92Å; E283-K287 PolarHBondContact O-N 2.83Å; E283-K287 VanDerWaalsContact O-N 3.1Å
284	L	62.3	Low	53.9	Low	119 Å²	119	136.3 Å²	136.3	62%	0.623	66%	0.655	S	S	*	*	H	α-helix	trans	-65.1	-38.3	176.9	-71	170.7	0	0	0	112.6	R280 K288	R280-L284 WeakPolarHBondContact O-CG 3.39Å; R280-L284 PolarHBondContact O-N 2.86Å; L284-K288 PolarHBondContact O-N 2.74Å
285	I	62.2	Low	53.4	Low	97 Å²	97	135.5 Å²	135.5	50%	0.497	66%	0.663	S	S	.	*	H	α-helix	trans	-67	-40.1	175.9	-66.8	163.6	0	0	0	110.6	M281 R282 K287 K288 L289	M281-I285 VanDerWaalsContact O-CD1 3.28Å; M281-I285 WeakPolarHBondContact O-CD1 3.43Å; M281-I285 WeakPolarHBondContact O-CG1 3.05Å; M281-I285 PolarHBondContact O-N 2.78Å; R282-I285 PolarHBondContact O-N 3.46Å; I285-K287 PolarHBondContact O-N 3.39Å; I285-K288 PolarHBondContact O-N 2.84Å; I285-L289 HydrophobicContact CG2-CD1 3.93Å; I285-L289 PolarHBondContact O-N 2.72Å; I285-L289 VanDerWaalsContact O-N 3.09Å
286	S	59.7	Low	52.3	Low	58 Å²	58	140.7 Å²	140.7	41%	0.406	68%	0.677	S	S	.	*	H	α-helix	trans	-67.8	-34.4	179.2	79.7	0	0	0	0	113.6	R282 E283 K290	R282-S286 PolarHBondContact O-N 2.94Å; R282-S286 VanDerWaalsContact O-N 3.07Å; E283-S286 PolarHBondContact O-N 2.8Å; E283-S286 PolarHBondContact O-OG 2.92Å; S286-K290 PolarHBondContact O-N 2.91Å
287	K	60	Low	51.3	Low	150 Å²	150	144.2 Å²	144.2	65%	0.652	69%	0.691	S	S	*	*	H	α-helix	trans	-71.5	-33.7	174.9	-79	177.5	178.1	168.3	0	112.3	E283 I285	E283-K287 PolarHBondContact O-N 2.83Å; E283-K287 VanDerWaalsContact O-N 3.1Å; I285-K287 PolarHBondContact O-N 3.39Å
288	K	57.1	Low	50.1	Low	167 Å²	167	141.9 Å²	141.9	73%	0.726	70%	0.696	S	S	*	*	H	α-helix	trans	-68.7	-40.9	173.9	-102.9	-179.7	173.8	179.5	0	112.5	L284 I285 K290 K291	L284-K288 PolarHBondContact O-N 2.74Å; I285-K288 PolarHBondContact O-N 2.84Å; K288-K290 VanDerWaalsContact C-N 3.32Å; K288-K290 PolarHBondContact O-N 2.97Å; K288-K291 PolarHBondContact O-N 2.79Å
289	L	50.5	Low	48.9	Very low	112 Å²	112	140.7 Å²	140.7	59%	0.586	71%	0.711	S	S	*	*	H	α-helix	trans	-66.4	-27	178.2	-86.7	154.9	0	0	0	114.4	I285	I285-L289 HydrophobicContact CG2-CD1 3.93Å; I285-L289 PolarHBondContact O-N 2.72Å; I285-L289 VanDerWaalsContact O-N 3.09Å
290	K	50.5	Low	47.6	Very low	178 Å²	178	142.9 Å²	142.9	77%	0.774	72%	0.721	S	S	*	*	H	α-helix	trans	-80.9	-19	175.5	-75.2	-178	178.5	178.1	0	113.7	S286 K288	S286-K290 PolarHBondContact O-N 2.91Å; K288-K290 VanDerWaalsContact C-N 3.32Å; K288-K290 PolarHBondContact O-N 2.97Å
291	K	46.8	Very low	46.6	Very low	187 Å²	187	140.4 Å²	140.4	81%	0.813	73%	0.727	S	S	*	*	H	α-helix	trans	-81.6	-22.5	-178.9	-163.7	173.2	179.3	179.2	0	113.2	K288	K288-K291 PolarHBondContact O-N 2.79Å
292	E	46.4	Very low	45.2	Very low	177 Å²	177	137.9 Å²	137.9	83%	0.827	73%	0.734	S	S	*	*	S	Bend	trans	-95.6	-6.8	-177.5	-72.3	-172.9	163.9	0	0	115.1
293	K	43.9	Very low	44	Very low	194 Å²	194	139.1 Å²	139.1	84%	0.843	75%	0.748	S	S	*	*	S	Bend	trans	-96.4	12.5	179.3	-83.8	-170.7	173.7	-176.6	0	115.2
294	G	38.1	Very low	42.6	Very low	71 Å²	71	137.5 Å²	137.5	73%	0.732	76%	0.756	S	S	*	*			trans	-122.1	60.1	-175.7	0	0	0	0	0	113.9
295	A	35.8	Very low	41.3	Very low	89 Å²	89	140 Å²	140	74%	0.736	77%	0.765	S	S	*	*			trans	-161.9	135.8	158.5	0	0	0	0	0	110.2
296	E	29.7	Very low	39.9	Very low	197 Å²	197	142.5 Å²	142.5	92%	0.921	79%	0.785	S	S	*	*			trans	97.4	86.2	167.6	-55.4	-171.3	170.7	0	0	119.8
297	K	28.9	Very low	38.9	Very low	212 Å²	212	147 Å²	147	92%	0.922	80%	0.799	S	S	*	*			trans	-137.8	144.2	134.6	-92.1	-172.1	177.6	-176.4	0	104.6
298	A	28.6	Very low	38.2	Very low	96 Å²	96	148 Å²	148	79%	0.793	80%	0.804	S	S	*	*			cis	-167.3	159.1	13.2	0	0	0	0	0	109.2
299	A	27.6	Very low	37.6	Very low	105 Å²	105	150.2 Å²	150.2	87%	0.868	81%	0.813	S	S	*	*			trans	157.5	131.2	135.8	0	0	0	0	0	112.9
300	E	30.2	Very low	37.7	Very low	183 Å²	183	148.8 Å²	148.8	86%	0.855	81%	0.809	S	S	*	*			trans	-96.4	179.8	164.9	-85.9	-153.3	175.3	0	0	110.7
301	P	43.1	Very low	38.3	Very low	121 Å²	121	143.7 Å²	143.7	79%	0.786	80%	0.796	S	S	*	*			cis	-129.4	166.8	-12.8	22.2	1.2	0	0	0	113.6
302	G	26.1	Very low	39.2	Very low	77 Å²	77	144.2 Å²	144.2	79%	0.794	79%	0.793	S	S	*	*			trans	-164.7	126.3	170.4	0	0	0	0	0	112.6
303	E	38.7	Very low	40.3	Very low	204 Å²	204	138.9 Å²	138.9	95%	0.953	78%	0.775	S	S	*	*			trans	-61.6	131	-178.2	-59.1	177.1	148.5	0	0	112.9
304	A	29.2	Very low	41.6	Very low	94 Å²	94	132.6 Å²	132.6	78%	0.777	75%	0.751	S	S	*	*			trans	-170.8	114.6	154.4	0	0	0	0	0	111.9
305	E	33.4	Very low	43.6	Very low	172 Å²	172	134.1 Å²	134.1	80%	0.804	74%	0.739	S	S	*	*			trans	38	105.6	148.1	-53.3	-154.6	159.7	0	0	120.9	E307	E305-E307 PolarHBondContact O-N 2.77Å
306	T	33.4	Very low	45.3	Very low	149 Å²	149	134.4 Å²	134.4	91%	0.914	73%	0.728	S	S	*	*			trans	-86	96.7	159.6	47.5	0	0	0	0	111.2
307	E	38.6	Very low	47.6	Very low	152 Å²	152	130.5 Å²	130.5	71%	0.71	71%	0.708	S	S	*	*			trans	-107.9	111	164.7	-68.5	-150.4	137.2	0	0	112.5	E305	E305-E307 PolarHBondContact O-N 2.77Å
308	K	46.8	Very low	50.1	Low	172 Å²	172	126.7 Å²	126.7	75%	0.748	69%	0.691	S	S	*	*			trans	41.2	100	144.1	-66	170.8	-177.3	161.6	0	119.5
309	K	44	Very low	52.8	Low	213 Å²	213	127.2 Å²	127.2	93%	0.926	68%	0.677	S	S	*	*			trans	-110.3	50.9	150.4	-77.9	-173.7	177.5	174.9	0	112.3
310	T	52.8	Low	55.4	Low	81 Å²	81	126.6 Å²	126.6	50%	0.497	66%	0.662	S	S	.	*			trans	-113.4	-2.4	178.8	51.4	0	0	0	0	115.3
311	S	61.6	Low	57.7	Low	72 Å²	72	126.4 Å²	126.4	50%	0.503	65%	0.654	S	S	.	*	H	α-helix	trans	-67.4	-53.9	-171.3	48.2	0	0	0	0	114.2	S313 D314 E315	S311-S313 PolarHBondContact O-N 2.75Å; S311-D314 PolarHBondContact O-N 2.86Å; S311-E315 WeakPolarHBondContact O-CB 3.24Å; S311-E315 VanDerWaalsContact O-CD 3.27Å; S311-E315 WeakPolarHBondContact O-CG 3.19Å; S311-E315 PolarHBondContact O-N 2.98Å
312	R	66.8	Low	60	Low	198 Å²	198	126.3 Å²	126.3	75%	0.747	64%	0.643	S	S	*	*	H	α-helix	trans	-69	-36.7	-167.6	-166.1	171.9	177.3	169.1	-0.2	114.9	L316	R312-L316 WeakPolarHBondContact O-CD1 3.25Å; R312-L316 VanDerWaalsContact O-CG 3.28Å; R312-L316 WeakPolarHBondContact O-CG 3.37Å; R312-L316 PolarHBondContact O-N 2.95Å; R312-L316 VanDerWaalsContact O-N 3.13Å
313	S	69.7	Low	63	Low	64 Å²	64	127.4 Å²	127.4	45%	0.448	63%	0.63	S	S	.	*	H	α-helix	trans	-76.1	-30.4	-179.4	79.8	0	0	0	0	112.6	S311 K317	S311-S313 PolarHBondContact O-N 2.75Å; S313-K317 VanDerWaalsContact O-CG 3.32Å; S313-K317 WeakPolarHBondContact O-CG 3.4Å; S313-K317 PolarHBondContact O-N 2.89Å
314	D	71.4	Confident	65.2	Low	63 Å²	63	124.4 Å²	124.4	34%	0.337	61%	0.614	S	S	.	*	H	α-helix	trans	-83.8	-27.4	177.4	-70.1	-28.4	0	0	0	111.8	S311 K317 K318	S311-D314 PolarHBondContact O-N 2.86Å; D314-K317 PolarHBondContact O-N 3.26Å; D314-K317 IonicContact OD1-NZ 3.1Å; D314-K317 PolarHBondContact OD1-NZ 3.41Å; D314-K317 VanDerWaalsContact OD1-NZ 3.1Å; D314-K318 VanDerWaalsContact O-CG 3.25Å; D314-K318 WeakPolarHBondContact O-CG 3.36Å; D314-K318 PolarHBondContact O-N 2.96Å
315	E	78.7	Confident	68	Low	103 Å²	103	127.3 Å²	127.3	48%	0.481	61%	0.609	S	S	.	*	H	α-helix	trans	-61.6	-49.7	165.4	-77.1	159.7	-168.6	0	0	111.3	S311 K317 K318 E319	S311-E315 WeakPolarHBondContact O-CB 3.24Å; S311-E315 VanDerWaalsContact O-CD 3.27Å; S311-E315 WeakPolarHBondContact O-CG 3.19Å; S311-E315 PolarHBondContact O-N 2.98Å; E315-K317 VanDerWaalsContact C-N 3.29Å; E315-K317 PolarHBondContact O-N 2.85Å; E315-K318 WeakPolarHBondContact O-CA 3.39Å; E315-K318 WeakPolarHBondContact O-CB 3.37Å; E315-K318 PolarHBondContact O-N 2.81Å; E315-E319 PolarHBondContact O-N 3.03Å
316	L	72.5	Confident	70.7	Confident	95 Å²	95	124.5 Å²	124.5	50%	0.497	60%	0.596	S	S	.	*	H	α-helix	trans	-59	-38.5	176.1	-74.3	166.1	0	0	0	112.5	R312 K318 E319 V320	R312-L316 WeakPolarHBondContact O-CD1 3.25Å; R312-L316 VanDerWaalsContact O-CG 3.28Å; R312-L316 WeakPolarHBondContact O-CG 3.37Å; R312-L316 PolarHBondContact O-N 2.95Å; R312-L316 VanDerWaalsContact O-N 3.13Å; L316-K318 VanDerWaalsContact C-N 3.35Å; L316-E319 PolarHBondContact O-N 2.94Å; L316-V320 WeakPolarHBondContact O-CB 3.5Å; L316-V320 VanDerWaalsContact O-CG2 3.22Å; L316-V320 WeakPolarHBondContact O-CG2 3.35Å; L316-V320 PolarHBondContact O-N 2.92Å
317	K	76.6	Confident	73	Confident	115 Å²	115	123.1 Å²	123.1	50%	0.5	58%	0.582	S	S	.	*	H	α-helix	trans	-68.2	-33.2	175.1	-71.9	170	-164.9	159.2	0	112.5	S313 D314 E315 R321	S313-K317 VanDerWaalsContact O-CG 3.32Å; S313-K317 WeakPolarHBondContact O-CG 3.4Å; S313-K317 PolarHBondContact O-N 2.89Å; D314-K317 PolarHBondContact O-N 3.26Å; D314-K317 IonicContact OD1-NZ 3.1Å; D314-K317 PolarHBondContact OD1-NZ 3.41Å; D314-K317 VanDerWaalsContact OD1-NZ 3.1Å; E315-K317 VanDerWaalsContact C-N 3.29Å; E315-K317 PolarHBondContact O-N 2.85Å; K317-R321 WeakPolarHBondContact O-CB 3.28Å; K317-R321 VanDerWaalsContact O-CG 3.26Å; K317-R321 WeakPolarHBondContact O-CG 3.5Å; K317-R321 PolarHBondContact O-N 3.37Å; K317-R321 VanDerWaalsContact O-N 3.13Å
318	K	82.4	Confident	75	Confident	132 Å²	132	121.5 Å²	121.5	57%	0.574	57%	0.574	S	S	*	*	H	α-helix	trans	-71.2	-42.2	175.4	-74	169.3	-175.5	176.3	0	111	D314 E315 L316 R321 Q322	D314-K318 VanDerWaalsContact O-CG 3.25Å; D314-K318 WeakPolarHBondContact O-CG 3.36Å; D314-K318 PolarHBondContact O-N 2.96Å; E315-K318 WeakPolarHBondContact O-CA 3.39Å; E315-K318 WeakPolarHBondContact O-CB 3.37Å; E315-K318 PolarHBondContact O-N 2.81Å; L316-K318 VanDerWaalsContact C-N 3.35Å; K318-R321 PolarHBondContact O-N 3.06Å; K318-Q322 WeakPolarHBondContact O-CG 3.31Å; K318-Q322 PolarHBondContact O-N 3.11Å
319	E	85.1	Confident	76.9	Confident	106 Å²	106	115.7 Å²	115.7	50%	0.495	56%	0.559	S	S	.	*	H	α-helix	trans	-60.9	-46.1	173.9	-74	179.9	172.1	0	0	111.6	E315 L316 R321 Q322 L323	E315-E319 PolarHBondContact O-N 3.03Å; L316-E319 PolarHBondContact O-N 2.94Å; E319-R321 VanDerWaalsContact C-N 3.28Å; E319-R321 PolarHBondContact O-N 2.89Å; E319-Q322 PolarHBondContact O-N 2.68Å; E319-Q322 VanDerWaalsContact O-N 3.1Å; E319-L323 WeakPolarHBondContact O-CG 3.49Å; E319-L323 PolarHBondContact O-N 3.45Å
320	V	82.7	Confident	79	Confident	93 Å²	93	110.9 Å²	110.9	56%	0.564	54%	0.542	S	S	*	.	H	α-helix	trans	-61.3	-37.2	176.2	170	0	0	0	0	111.7	L316 K324	L316-V320 WeakPolarHBondContact O-CB 3.5Å; L316-V320 VanDerWaalsContact O-CG2 3.22Å; L316-V320 WeakPolarHBondContact O-CG2 3.35Å; L316-V320 PolarHBondContact O-N 2.92Å; V320-K324 WeakPolarHBondContact O-CB 3.37Å; V320-K324 PolarHBondContact O-N 3.15Å
321	R	78.9	Confident	80.4	Confident	179 Å²	179	113.2 Å²	113.2	68%	0.675	55%	0.545	S	S	*	.	H	α-helix	trans	-69.8	-35.2	175	-76	174.2	-176.8	-180	1.9	112.4	K317 K318 E319 K325	K317-R321 WeakPolarHBondContact O-CB 3.28Å; K317-R321 VanDerWaalsContact O-CG 3.26Å; K317-R321 WeakPolarHBondContact O-CG 3.5Å; K317-R321 PolarHBondContact O-N 3.37Å; K317-R321 VanDerWaalsContact O-N 3.13Å; K318-R321 PolarHBondContact O-N 3.06Å; E319-R321 VanDerWaalsContact C-N 3.28Å; E319-R321 PolarHBondContact O-N 2.89Å; R321-K325 WeakPolarHBondContact O-CG 3.31Å; R321-K325 PolarHBondContact O-N 3.48Å
322	Q	91.1	Very high	81.1	Confident	119 Å²	119	115.3 Å²	115.3	56%	0.556	55%	0.547	S	S	*	.	H	α-helix	trans	-68	-49.7	175.2	-75.5	171.6	-11.4	0	0	111	K318 E319 K324 K325 E326	K318-Q322 WeakPolarHBondContact O-CG 3.31Å; K318-Q322 PolarHBondContact O-N 3.11Å; E319-Q322 PolarHBondContact O-N 2.68Å; E319-Q322 VanDerWaalsContact O-N 3.1Å; Q322-K324 VanDerWaalsContact C-N 3.27Å; Q322-K324 PolarHBondContact O-N 3.23Å; Q322-K325 WeakPolarHBondContact O-CB 3.35Å; Q322-K325 PolarHBondContact O-N 3.43Å; Q322-E326 PolarHBondContact O-N 3.08Å
323	L	87.8	Confident	81.7	Confident	99 Å²	99	113.6 Å²	113.6	52%	0.518	54%	0.541	S	S	.	.	H	α-helix	trans	-59	-36.7	176.6	-72	171.1	0	0	0	112.6	E319 E326 L327	E319-L323 WeakPolarHBondContact O-CG 3.49Å; E319-L323 PolarHBondContact O-N 3.45Å; L323-E326 PolarHBondContact O-N 2.92Å; L323-L327 WeakPolarHBondContact O-CB 3.43Å; L323-L327 WeakPolarHBondContact O-CG 3.34Å; L323-L327 PolarHBondContact O-N 2.78Å
324	K	86.5	Confident	82	Confident	142 Å²	142	119.9 Å²	119.9	62%	0.617	55%	0.554	S	S	*	*	H	α-helix	trans	-67	-37.3	176	-168	173.4	-178.4	177.8	0	112.4	V320 Q322 Q328	V320-K324 WeakPolarHBondContact O-CB 3.37Å; V320-K324 PolarHBondContact O-N 3.15Å; Q322-K324 VanDerWaalsContact C-N 3.27Å; Q322-K324 PolarHBondContact O-N 3.23Å; K324-Q328 PolarHBondContact O-N 3.39Å; K324-Q328 VanDerWaalsContact O-N 3.13Å
325	K	88.1	Confident	81.8	Confident	155 Å²	155	121.9 Å²	121.9	67%	0.674	56%	0.562	S	S	*	*	H	α-helix	trans	-69.2	-41.1	173.9	-75.8	-178.5	177.9	-174.8	0	111.5	R321 Q322 Q328 A329	R321-K325 WeakPolarHBondContact O-CG 3.31Å; R321-K325 PolarHBondContact O-N 3.48Å; Q322-K325 WeakPolarHBondContact O-CB 3.35Å; Q322-K325 PolarHBondContact O-N 3.43Å; K325-Q328 PolarHBondContact O-N 3.13Å; K325-A329 WeakPolarHBondContact O-CB 3.26Å; K325-A329 PolarHBondContact O-N 3.5Å
326	E	89.1	Confident	81.3	Confident	112 Å²	112	123.4 Å²	123.4	52%	0.523	57%	0.569	S	S	.	*	H	α-helix	trans	-63.3	-42.4	176	-72	178.9	176.7	0	0	111.9	Q322 L323 Q328 A329 I330	Q322-E326 PolarHBondContact O-N 3.08Å; L323-E326 PolarHBondContact O-N 2.92Å; E326-Q328 VanDerWaalsContact C-N 3.34Å; E326-Q328 PolarHBondContact O-N 2.99Å; E326-A329 PolarHBondContact O-N 3.26Å; E326-I330 VanDerWaalsContact O-CG1 3.27Å; E326-I330 WeakPolarHBondContact O-CG1 3.17Å; E326-I330 PolarHBondContact O-N 3.47Å
327	L	81.9	Confident	81	Confident	121 Å²	121	128.2 Å²	128.2	63%	0.634	58%	0.581	S	S	*	*	H	α-helix	trans	-62.4	-39.1	174.3	-83	166.9	0	0	0	112.6	L323 K331	L323-L327 WeakPolarHBondContact O-CB 3.43Å; L323-L327 WeakPolarHBondContact O-CG 3.34Å; L323-L327 PolarHBondContact O-N 2.78Å; L327-K331 WeakPolarHBondContact O-CB 3.44Å; L327-K331 PolarHBondContact O-N 3.37Å
328	Q	79.9	Confident	80.3	Confident	117 Å²	117	126.1 Å²	126.1	55%	0.547	58%	0.584	S	S	.	*	H	α-helix	trans	-66.5	-41	174	-81	-177.6	-36.9	0	0	111.9	K324 K325 E326 K331 Q332	K324-Q328 PolarHBondContact O-N 3.39Å; K324-Q328 VanDerWaalsContact O-N 3.13Å; K325-Q328 PolarHBondContact O-N 3.13Å; E326-Q328 VanDerWaalsContact C-N 3.34Å; E326-Q328 PolarHBondContact O-N 2.99Å; Q328-K331 PolarHBondContact O-N 3.09Å; Q328-Q332 WeakPolarHBondContact O-CG 3.42Å; Q328-Q332 PolarHBondContact O-N 2.92Å
329	A	88.1	Confident	79	Confident	51 Å²	51	126 Å²	126	42%	0.421	59%	0.59	S	S	.	*	H	α-helix	trans	-65.7	-40.1	176.4	0	0	0	0	0	112.2	K325 E326 K331 Q332 R333	K325-A329 WeakPolarHBondContact O-CB 3.26Å; K325-A329 PolarHBondContact O-N 3.5Å; E326-A329 PolarHBondContact O-N 3.26Å; A329-K331 VanDerWaalsContact C-N 3.32Å; A329-K331 PolarHBondContact O-N 3.49Å; A329-Q332 PolarHBondContact O-N 2.68Å; A329-R333 VanDerWaalsContact O-CB 3.31Å; A329-R333 WeakPolarHBondContact O-CB 3.3Å; A329-R333 PolarHBondContact O-N 2.94Å
330	I	86.4	Confident	77.3	Confident	112 Å²	112	126 Å²	126	57%	0.574	60%	0.599	S	S	*	*	H	α-helix	trans	-64.3	-39.2	174.3	-68.8	165	0	0	0	110.7	E326 R333 R334	E326-I330 VanDerWaalsContact O-CG1 3.27Å; E326-I330 WeakPolarHBondContact O-CG1 3.17Å; E326-I330 PolarHBondContact O-N 3.47Å; I330-R333 PolarHBondContact O-N 2.8Å; I330-R334 VanDerWaalsContact O-CB 3.26Å; I330-R334 WeakPolarHBondContact O-CB 3.26Å; I330-R334 PolarHBondContact O-N 2.86Å
331	K	83.1	Confident	75.4	Confident	130 Å²	130	127.4 Å²	127.4	57%	0.565	61%	0.61	S	S	*	*	H	α-helix	trans	-64.6	-45.7	176.1	-170.2	-178.3	175.9	-169.7	0	111.5	L327 Q328 A329 R334 E335	L327-K331 WeakPolarHBondContact O-CB 3.44Å; L327-K331 PolarHBondContact O-N 3.37Å; Q328-K331 PolarHBondContact O-N 3.09Å; A329-K331 VanDerWaalsContact C-N 3.32Å; A329-K331 PolarHBondContact O-N 3.49Å; K331-R334 PolarHBondContact O-N 2.94Å; K331-E335 VanDerWaalsContact CE-OE1 3.27Å; K331-E335 WeakPolarHBondContact CE-OE1 3.42Å; K331-E335 WeakPolarHBondContact O-CG 3.39Å; K331-E335 PolarHBondContact O-N 3.44Å
332	Q	76.2	Confident	73.4	Confident	116 Å²	116	123.4 Å²	123.4	54%	0.542	62%	0.616	S	S	.	*	H	α-helix	trans	-61.9	-44.9	175.4	-73.9	174.7	-15.6	0	0	111.5	Q328 A329 R334 E335 E336	Q328-Q332 WeakPolarHBondContact O-CG 3.42Å; Q328-Q332 PolarHBondContact O-N 2.92Å; A329-Q332 PolarHBondContact O-N 2.68Å; Q332-R334 VanDerWaalsContact C-N 3.25Å; Q332-R334 PolarHBondContact O-N 2.77Å; Q332-E335 CarbonylContact O-C 3.6Å; Q332-E335 PolarHBondContact O-N 3.47Å; Q332-E335 VanDerWaalsContact O-N 3.12Å; Q332-E336 WeakPolarHBondContact O-CB 3.32Å; Q332-E336 WeakPolarHBondContact O-CG 3.46Å; Q332-E336 PolarHBondContact O-N 2.95Å
333	R	78.8	Confident	70.9	Confident	162 Å²	162	126.3 Å²	126.3	61%	0.611	63%	0.629	S	S	*	*	H	α-helix	trans	-64.9	-28.9	176.5	-157.9	177.5	-171.7	-165.3	3.6	112.9	A329 I330 R337	A329-R333 VanDerWaalsContact O-CB 3.31Å; A329-R333 WeakPolarHBondContact O-CB 3.3Å; A329-R333 PolarHBondContact O-N 2.94Å; I330-R333 PolarHBondContact O-N 2.8Å; R333-R337 WeakPolarHBondContact O-CB 3.48Å; R333-R337 VanDerWaalsContact O-CG 3.31Å; R333-R337 WeakPolarHBondContact O-CG 3.37Å; R333-R337 PolarHBondContact O-N 2.84Å
334	R	76.1	Confident	68.7	Low	195 Å²	195	129.1 Å²	129.1	74%	0.736	64%	0.64	S	S	*	*	H	α-helix	trans	-76.3	-36.5	173.6	-173.8	178.2	172.9	-176.4	-2.5	111.6	I330 K331 Q332 R337 A338	I330-R334 VanDerWaalsContact O-CB 3.26Å; I330-R334 WeakPolarHBondContact O-CB 3.26Å; I330-R334 PolarHBondContact O-N 2.86Å; K331-R334 PolarHBondContact O-N 2.94Å; Q332-R334 VanDerWaalsContact C-N 3.25Å; Q332-R334 PolarHBondContact O-N 2.77Å; R334-R337 PolarHBondContact O-N 2.84Å; R334-A338 VanDerWaalsContact O-CB 3.3Å; R334-A338 WeakPolarHBondContact O-CB 3.38Å; R334-A338 PolarHBondContact O-N 3.34Å
335	E	68.3	Low	66.3	Low	106 Å²	106	128.1 Å²	128.1	50%	0.495	65%	0.645	S	S	.	*	H	α-helix	trans	-67.8	-40.5	172.6	-77.1	170.9	-177.3	0	0	111.5	K331 Q332 A338 N339	K331-E335 VanDerWaalsContact CE-OE1 3.27Å; K331-E335 WeakPolarHBondContact CE-OE1 3.42Å; K331-E335 WeakPolarHBondContact O-CG 3.39Å; K331-E335 PolarHBondContact O-N 3.44Å; Q332-E335 CarbonylContact O-C 3.6Å; Q332-E335 PolarHBondContact O-N 3.47Å; Q332-E335 VanDerWaalsContact O-N 3.12Å; E335-A338 PolarHBondContact O-N 2.8Å; E335-A338 VanDerWaalsContact O-N 3.15Å; E335-N339 PolarHBondContact O-N 3.24Å
336	E	67.8	Low	63.9	Low	135 Å²	135	128.4 Å²	128.4	63%	0.631	65%	0.647	S	S	*	*	H	α-helix	trans	-65.5	-36.4	172.6	-71.8	170.4	178.4	0	0	112.6	Q332 A338 N339	Q332-E336 WeakPolarHBondContact O-CB 3.32Å; Q332-E336 WeakPolarHBondContact O-CG 3.46Å; Q332-E336 PolarHBondContact O-N 2.95Å; E336-A338 VanDerWaalsContact C-N 3.33Å; E336-N339 CarbonylContact O-C 3.39Å; E336-N339 VanDerWaalsContact O-O 3.13Å
337	R	67.1	Low	61.4	Low	196 Å²	196	129.8 Å²	129.8	74%	0.74	65%	0.653	S	S	*	*	H	α-helix	trans	-72	-26.3	171.5	-80.1	179.6	177	-168	-1.2	113.2	R333 R334	R333-R337 WeakPolarHBondContact O-CB 3.48Å; R333-R337 VanDerWaalsContact O-CG 3.31Å; R333-R337 WeakPolarHBondContact O-CG 3.37Å; R333-R337 PolarHBondContact O-N 2.84Å; R334-R337 PolarHBondContact O-N 2.84Å
338	A	60.2	Low	59.6	Low	70 Å²	70	132.9 Å²	132.9	58%	0.579	66%	0.664	S	S	*	*	H	α-helix	trans	-79.8	-25	178.5	0	0	0	0	0	112.4	R334 E335 E336	R334-A338 VanDerWaalsContact O-CB 3.3Å; R334-A338 WeakPolarHBondContact O-CB 3.38Å; R334-A338 PolarHBondContact O-N 3.34Å; E335-A338 PolarHBondContact O-N 2.8Å; E335-A338 VanDerWaalsContact O-N 3.15Å; E336-A338 VanDerWaalsContact C-N 3.33Å
339	N	55.4	Low	58	Low	131 Å²	131	135.4 Å²	135.4	70%	0.701	67%	0.673	S	S	*	*	S	Bend	trans	-125.6	86.6	175.2	-75.3	-22.7	0	0	0	110.4	E335 E336	E335-N339 PolarHBondContact O-N 3.24Å; E336-N339 CarbonylContact O-C 3.39Å; E336-N339 VanDerWaalsContact O-O 3.13Å
340	P	49.8	Very low	56.2	Low	105 Å²	105	142 Å²	142	68%	0.682	69%	0.692	S	S	*	*			trans	-62.2	136.8	169.1	26.3	-31.8	0	0	0	109.6	A342	P340-A342 PolarHBondContact O-N 2.69Å
341	P	42.9	Very low	54.7	Low	122 Å²	122	139.8 Å²	139.8	79%	0.792	69%	0.685	S	S	*	*			trans	-60.9	126	166.9	25.4	-30.4	0	0	0	107.8	E343	P341-E343 PolarHBondContact O-N 3.31Å
342	A	36.2	Very low	53.6	Low	96 Å²	96	140.7 Å²	140.7	79%	0.793	70%	0.702	S	S	*	*			trans	-60	112.9	171.4	0	0	0	0	0	108.2	P340 E344	P340-A342 PolarHBondContact O-N 2.69Å; A342-E344 PolarHBondContact O-N 3.1Å; A342-E344 VanDerWaalsContact O-N 3.16Å
343	E	39.5	Very low	53.6	Low	180 Å²	180	137.8 Å²	137.8	84%	0.841	69%	0.694	S	S	*	*			trans	-59.7	115.8	161.9	-82.2	-178.6	153.1	0	0	107.8	P341 V345	P341-E343 PolarHBondContact O-N 3.31Å; E343-V345 PolarHBondContact O-N 2.77Å
344	E	42.5	Very low	53.6	Low	158 Å²	158	138 Å²	138	74%	0.738	70%	0.703	S	S	*	*			trans	-64.9	95.8	167	-69.2	-168.9	135	0	0	109	A342 K346	A342-E344 PolarHBondContact O-N 3.1Å; A342-E344 VanDerWaalsContact O-N 3.16Å; E344-K346 IonicContact OE1-NZ 2.72Å
345	V	34.3	Very low	53.6	Low	120 Å²	120	132 Å²	132	73%	0.727	70%	0.695	S	S	*	*			trans	-95.5	84.7	154.6	-174.2	0	0	0	0	107.1	E343 E347	E343-V345 PolarHBondContact O-N 2.77Å; V345-E347 VanDerWaalsContact C-N 3.35Å; V345-E347 PolarHBondContact O-N 2.99Å
346	K	38.5	Very low	54	Low	162 Å²	162	130.3 Å²	130.3	70%	0.704	69%	0.691	S	S	*	*			trans	-79.1	86.7	161.8	-78.8	179.7	179.1	164	0	108.5	E344	E344-K346 IonicContact OE1-NZ 2.72Å
347	E	36.7	Very low	54.7	Low	141 Å²	141	125.3 Å²	125.3	66%	0.659	67%	0.673	S	S	*	*			trans	-99.5	99	150.7	-83.4	-164.2	171	0	0	108.1	V345 K349	V345-E347 VanDerWaalsContact C-N 3.35Å; V345-E347 PolarHBondContact O-N 2.99Å; E347-K349 PolarHBondContact O-N 3.15Å; E347-K349 WeakPolarHBondContact OE2-CE 3.3Å; E347-K349 IonicContact OE2-NZ 3.07Å; E347-K349 PolarHBondContact OE2-NZ 3.09Å
348	E	43.3	Very low	55.6	Low	185 Å²	185	122 Å²	122	86%	0.864	67%	0.666	S	S	*	*			trans	-69.5	93.4	167.3	-69.2	-172.4	166.9	0	0	109.5
349	K	47	Very low	56.7	Low	170 Å²	170	125.7 Å²	125.7	74%	0.739	67%	0.666	S	S	*	*			trans	-89.6	116	161.9	-72.9	-179.7	-176.3	165.9	0	108.6	E347	E347-K349 PolarHBondContact O-N 3.15Å; E347-K349 WeakPolarHBondContact OE2-CE 3.3Å; E347-K349 IonicContact OE2-NZ 3.07Å; E347-K349 PolarHBondContact OE2-NZ 3.09Å
350	K	50.8	Low	58.1	Low	189 Å²	189	123 Å²	123	82%	0.822	65%	0.651	S	S	*	*			trans	-58.7	137.1	172.8	-68.2	-177.6	178.7	-178.1	0	109.8	T352	K350-T352 PolarHBondContact O-N 3.4Å
351	P	53.9	Low	59.8	Low	66 Å²	66	124.4 Å²	124.4	43%	0.429	65%	0.649	S	S	.	*			trans	-66.1	131.2	-179.5	27.1	-33	0	0	0	110	S353 V356 A357	P351-S353 VanDerWaalsContact C-N 3.3Å; P351-S353 PolarHBondContact O-N 3.39Å; P351-V356 HydrophobicContact CB-CB 4.29Å; P351-V356 HydrophobicContact CB-CG1 4.03Å; P351-A357 HydrophobicContact CG-CB 4.12Å
352	T	60.8	Low	61.9	Low	150 Å²	150	124.4 Å²	124.4	92%	0.92	64%	0.638	S	S	*	*	S	Bend	trans	-84.4	1	-177.4	50.8	0	0	0	0	113.6	K350	K350-T352 PolarHBondContact O-N 3.4Å
353	S	74.8	Confident	64.4	Low	54 Å²	54	126.2 Å²	126.2	38%	0.378	62%	0.624	S	S	.	*	S	Bend	trans	-147.3	143.4	177.4	65.2	0	0	0	0	112.1	P351 A355 V356 A357	P351-S353 VanDerWaalsContact C-N 3.3Å; P351-S353 PolarHBondContact O-N 3.39Å; S353-A355 VanDerWaalsContact C-N 3.33Å; S353-A355 PolarHBondContact O-N 2.92Å; S353-V356 PolarHBondContact O-N 2.84Å; S353-V356 VanDerWaalsContact O-N 3.15Å; S353-V356 VanDerWaalsContact OG-CG2 3.23Å; S353-V356 WeakPolarHBondContact OG-CG2 3.28Å; S353-A357 PolarHBondContact O-N 3.1Å
354	E	79.8	Confident	66.7	Low	168 Å²	168	124 Å²	124	79%	0.785	61%	0.612	S	S	*	*	H	α-helix	trans	-59.8	-39.3	-176.4	-69	176	162.3	0	0	112.4	V356 A357 E358	E354-V356 PolarHBondContact O-N 3Å; E354-A357 WeakPolarHBondContact O-CB 3.17Å; E354-A357 PolarHBondContact O-N 2.87Å; E354-E358 PolarHBondContact O-N 3.05Å
355	A	76	Confident	69.1	Low	69 Å²	69	123.3 Å²	123.3	57%	0.57	61%	0.607	S	S	*	*	H	α-helix	trans	-61.1	-30.7	177.6	0	0	0	0	0	113.6	S353 Y359	S353-A355 VanDerWaalsContact C-N 3.33Å; S353-A355 PolarHBondContact O-N 2.92Å; A355-Y359 WeakPolarHBondContact O-CB 3.47Å; A355-Y359 PolarHBondContact O-N 3.43Å; A355-Y359 VanDerWaalsContact O-N 3.15Å
356	V	76.9	Confident	71.3	Confident	69 Å²	69	125.7 Å²	125.7	42%	0.418	60%	0.604	S	S	.	*	H	α-helix	trans	-77	-30.3	177.1	175.9	0	0	0	0	110.9	P351 S353 E354 L360	P351-V356 HydrophobicContact CB-CB 4.29Å; P351-V356 HydrophobicContact CB-CG1 4.03Å; S353-V356 PolarHBondContact O-N 2.84Å; S353-V356 VanDerWaalsContact O-N 3.15Å; S353-V356 VanDerWaalsContact OG-CG2 3.23Å; S353-V356 WeakPolarHBondContact OG-CG2 3.28Å; E354-V356 PolarHBondContact O-N 3Å; V356-L360 HydrophobicContact CG1-CD1 4.38Å; V356-L360 VanDerWaalsContact O-CG 3.28Å; V356-L360 WeakPolarHBondContact O-CG 3.2Å; V356-L360 PolarHBondContact O-N 3.16Å
357	A	82.9	Confident	73.3	Confident	31 Å²	31	121.8 Å²	121.8	26%	0.256	59%	0.588	S	S	.	*	H	α-helix	trans	-68.9	-47	174.1	0	0	0	0	0	111	P351 S353 E354 Y359 L360 E361	P351-A357 HydrophobicContact CG-CB 4.12Å; S353-A357 PolarHBondContact O-N 3.1Å; E354-A357 WeakPolarHBondContact O-CB 3.17Å; E354-A357 PolarHBondContact O-N 2.87Å; A357-Y359 VanDerWaalsContact C-N 3.31Å; A357-Y359 PolarHBondContact O-N 3.15Å; A357-L360 PolarHBondContact O-N 3.11Å; A357-L360 VanDerWaalsContact O-N 3.14Å; A357-E361 WeakPolarHBondContact O-CG 3.48Å; A357-E361 PolarHBondContact O-N 3.28Å
358	E	84.9	Confident	75.8	Confident	126 Å²	126	120.8 Å²	120.8	59%	0.589	58%	0.583	S	S	*	*	H	α-helix	trans	-58.3	-43.1	176	-69.5	-179.6	169.8	0	0	111.6	E354 L360 E361 E362	E354-E358 PolarHBondContact O-N 3.05Å; E358-L360 VanDerWaalsContact C-N 3.34Å; E358-L360 PolarHBondContact O-N 3.45Å; E358-E361 PolarHBondContact O-N 2.82Å; E358-E362 WeakPolarHBondContact O-CG 3.29Å; E358-E362 PolarHBondContact O-N 2.98Å
359	Y	83.7	Confident	77.6	Confident	147 Å²	147	115.9 Å²	115.9	58%	0.576	56%	0.563	S	S	*	*	H	α-helix	trans	-60.5	-40.2	176.6	177.5	-101.9	0	0	0	113.2	A355 A357 R363	A355-Y359 WeakPolarHBondContact O-CB 3.47Å; A355-Y359 PolarHBondContact O-N 3.43Å; A355-Y359 VanDerWaalsContact O-N 3.15Å; A357-Y359 VanDerWaalsContact C-N 3.31Å; A357-Y359 PolarHBondContact O-N 3.15Å; Y359-R363 VanDerWaalsContact O-CB 3.32Å; Y359-R363 WeakPolarHBondContact O-CB 3.28Å; Y359-R363 PolarHBondContact O-N 3.5Å
360	L	84.9	Confident	78.7	Confident	75 Å²	75	117.6 Å²	117.6	39%	0.393	56%	0.564	S	S	.	*	H	α-helix	trans	-70.1	-36.6	178.5	-72	170.5	0	0	0	111.9	V356 A357 E358 K364	V356-L360 HydrophobicContact CG1-CD1 4.38Å; V356-L360 VanDerWaalsContact O-CG 3.28Å; V356-L360 WeakPolarHBondContact O-CG 3.2Å; V356-L360 PolarHBondContact O-N 3.16Å; A357-L360 PolarHBondContact O-N 3.11Å; A357-L360 VanDerWaalsContact O-N 3.14Å; E358-L360 VanDerWaalsContact C-N 3.34Å; E358-L360 PolarHBondContact O-N 3.45Å; L360-K364 WeakPolarHBondContact O-CG 3.03Å; L360-K364 PolarHBondContact O-N 3.38Å; L360-K364 VanDerWaalsContact O-N 3.15Å
361	E	85	Confident	79.6	Confident	134 Å²	134	116.4 Å²	116.4	63%	0.626	56%	0.562	S	S	*	*	H	α-helix	trans	-68.5	-45.1	175.9	-71.1	-178.8	-177.2	0	0	111.9	A357 E358 R363 K364 K365	A357-E361 WeakPolarHBondContact O-CG 3.48Å; A357-E361 PolarHBondContact O-N 3.28Å; E358-E361 PolarHBondContact O-N 2.82Å; E361-R363 VanDerWaalsContact C-N 3.33Å; E361-R363 PolarHBondContact O-N 2.88Å; E361-K364 PolarHBondContact O-N 2.93Å; E361-K365 PolarHBondContact O-N 3.01Å
362	E	86.6	Confident	80.3	Confident	122 Å²	122	120.3 Å²	120.3	57%	0.57	57%	0.574	S	S	*	*	H	α-helix	trans	-60.9	-42.9	175	-75.4	-167.4	155	0	0	111.7	E358 K364 K365 Y366	E358-E362 WeakPolarHBondContact O-CG 3.29Å; E358-E362 PolarHBondContact O-N 2.98Å; E362-K364 VanDerWaalsContact C-N 3.35Å; E362-K364 PolarHBondContact O-N 3.19Å; E362-K365 WeakPolarHBondContact O-CB 3.19Å; E362-K365 PolarHBondContact O-N 3.42Å; E362-Y366 VanDerWaalsContact O-CD2 3.29Å; E362-Y366 WeakPolarHBondContact O-CD2 3.37Å; E362-Y366 PolarHBondContact O-N 2.69Å
363	R	89.4	Confident	80.3	Confident	134 Å²	134	121.1 Å²	121.1	51%	0.506	57%	0.565	S	S	.	*	H	α-helix	trans	-59.6	-44.6	177.3	-176.6	-177.5	163.6	-176.5	-2.3	111.9	Y359 E361 K365 Y366 E367	Y359-R363 VanDerWaalsContact O-CB 3.32Å; Y359-R363 WeakPolarHBondContact O-CB 3.28Å; Y359-R363 PolarHBondContact O-N 3.5Å; E361-R363 VanDerWaalsContact C-N 3.33Å; E361-R363 PolarHBondContact O-N 2.88Å; R363-K365 VanDerWaalsContact C-N 3.33Å; R363-K365 PolarHBondContact O-N 2.76Å; R363-Y366 PolarHBondContact O-N 3.25Å; R363-E367 IonicContact CZ-OE1 3.18Å; R363-E367 IonicContact NE-OE1 2.97Å; R363-E367 PolarHBondContact NE-OE1 3.33Å; R363-E367 VanDerWaalsContact NE-OE1 3.08Å; R363-E367 IonicContact NH2-OE1 2.79Å; R363-E367 PolarHBondContact NH2-OE1 2.84Å; R363-E367 PolarHBondContact O-N 2.9Å
364	K	87.6	Confident	79.4	Confident	135 Å²	135	127.4 Å²	127.4	59%	0.587	58%	0.581	S	S	*	*	H	α-helix	trans	-60	-44.4	176.3	-75.4	174.9	179.8	179.3	0	111.4	L360 E361 E362 Y366 E367 E368	L360-K364 WeakPolarHBondContact O-CG 3.03Å; L360-K364 PolarHBondContact O-N 3.38Å; L360-K364 VanDerWaalsContact O-N 3.15Å; E361-K364 PolarHBondContact O-N 2.93Å; E362-K364 VanDerWaalsContact C-N 3.35Å; E362-K364 PolarHBondContact O-N 3.19Å; K364-Y366 VanDerWaalsContact C-N 3.31Å; K364-Y366 PolarHBondContact O-N 3.5Å; K364-E367 PolarHBondContact O-N 2.94Å; K364-E367 VanDerWaalsContact O-N 3.12Å; K364-E368 PolarHBondContact O-N 3.33Å
365	K	92.6	Very high	78.2	Confident	143 Å²	143	128 Å²	128	62%	0.622	58%	0.58	S	S	*	*	H	α-helix	trans	-60.3	-39.7	177	-165.7	176.3	-176.4	176.8	0	112.4	E361 E362 R363 L369	E361-K365 PolarHBondContact O-N 3.01Å; E362-K365 WeakPolarHBondContact O-CB 3.19Å; E362-K365 PolarHBondContact O-N 3.42Å; R363-K365 VanDerWaalsContact C-N 3.33Å; R363-K365 PolarHBondContact O-N 2.76Å; K365-L369 HydrophobicContact CG-CD1 4.44Å; K365-L369 WeakPolarHBondContact O-CB 3.47Å; K365-L369 WeakPolarHBondContact O-CD1 3.38Å; K365-L369 WeakPolarHBondContact O-CG 3.31Å; K365-L369 PolarHBondContact O-N 3.48Å
366	Y	80.9	Confident	77.1	Confident	169 Å²	169	135.5 Å²	135.5	66%	0.663	60%	0.6	S	S	*	*	H	α-helix	trans	-68.1	-36.3	174.3	-88.8	-74.6	0	0	0	113.2	E362 R363 K364 R370	E362-Y366 VanDerWaalsContact O-CD2 3.29Å; E362-Y366 WeakPolarHBondContact O-CD2 3.37Å; E362-Y366 PolarHBondContact O-N 2.69Å; R363-Y366 PolarHBondContact O-N 3.25Å; K364-Y366 VanDerWaalsContact C-N 3.31Å; K364-Y366 PolarHBondContact O-N 3.5Å; Y366-R370 VanDerWaalsContact O-CB 3.29Å; Y366-R370 WeakPolarHBondContact O-CB 3.47Å; Y366-R370 PolarHBondContact O-N 2.93Å
367	E	81.4	Confident	76	Confident	81 Å²	81	135 Å²	135	38%	0.379	61%	0.61	S	S	.	*	H	α-helix	trans	-65.5	-41.6	175.1	-75.3	176.4	-173	0	0	111.4	R363 K364 R370 Q371	R363-E367 IonicContact CZ-OE1 3.18Å; R363-E367 IonicContact NE-OE1 2.97Å; R363-E367 PolarHBondContact NE-OE1 3.33Å; R363-E367 VanDerWaalsContact NE-OE1 3.08Å; R363-E367 IonicContact NH2-OE1 2.79Å; R363-E367 PolarHBondContact NH2-OE1 2.84Å; R363-E367 PolarHBondContact O-N 2.9Å; K364-E367 PolarHBondContact O-N 2.94Å; K364-E367 VanDerWaalsContact O-N 3.12Å; E367-R370 WeakPolarHBondContact O-CB 3.47Å; E367-R370 PolarHBondContact O-N 3.42Å; E367-Q371 WeakPolarHBondContact O-CG 3.34Å; E367-Q371 PolarHBondContact O-N 3.42Å
368	E	87.4	Confident	74.7	Confident	119 Å²	119	135.5 Å²	135.5	56%	0.556	61%	0.611	S	S	*	*	H	α-helix	trans	-64.3	-44.8	174.3	-71	175.8	-177.2	0	0	112.3	K364 R370 Q371 Q372	K364-E368 PolarHBondContact O-N 3.33Å; E368-R370 PolarHBondContact O-N 2.93Å; E368-Q371 PolarHBondContact O-N 2.96Å; E368-Q371 VanDerWaalsContact O-N 3.15Å; E368-Q372 WeakPolarHBondContact O-CG 3.37Å; E368-Q372 PolarHBondContact O-N 2.9Å
369	L	81.2	Confident	73.8	Confident	83 Å²	83	132.4 Å²	132.4	44%	0.435	60%	0.599	S	S	.	*	H	α-helix	trans	-60.8	-34.9	174.2	-81.3	160.7	0	0	0	112.3	K365 K373	K365-L369 HydrophobicContact CG-CD1 4.44Å; K365-L369 WeakPolarHBondContact O-CB 3.47Å; K365-L369 WeakPolarHBondContact O-CD1 3.38Å; K365-L369 WeakPolarHBondContact O-CG 3.31Å; K365-L369 PolarHBondContact O-N 3.48Å; L369-K373 WeakPolarHBondContact O-CG 3.49Å; L369-K373 PolarHBondContact O-N 3.38Å
370	R	71.8	Confident	73.2	Confident	205 Å²	205	135 Å²	135	77%	0.774	61%	0.608	S	S	*	*	H	α-helix	trans	-71.5	-34.5	176.3	-174.5	178.1	170.6	-164.7	-2.5	112.1	Y366 E367 E368	Y366-R370 VanDerWaalsContact O-CB 3.29Å; Y366-R370 WeakPolarHBondContact O-CB 3.47Å; Y366-R370 PolarHBondContact O-N 2.93Å; E367-R370 WeakPolarHBondContact O-CB 3.47Å; E367-R370 PolarHBondContact O-N 3.42Å; E368-R370 PolarHBondContact O-N 2.93Å
371	Q	69	Low	73	Confident	164 Å²	164	138.3 Å²	138.3	77%	0.766	62%	0.621	S	S	*	*	H	α-helix	trans	-72.1	-37.4	173.5	-70.3	-176.6	20.1	0	0	112.1	E367 E368 K373	E367-Q371 WeakPolarHBondContact O-CG 3.34Å; E367-Q371 PolarHBondContact O-N 3.42Å; E368-Q371 PolarHBondContact O-N 2.96Å; E368-Q371 VanDerWaalsContact O-N 3.15Å; Q371-K373 VanDerWaalsContact C-N 3.33Å; Q371-K373 PolarHBondContact O-N 3.06Å
372	Q	69.5	Low	72.9	Confident	149 Å²	149	136.8 Å²	136.8	70%	0.696	61%	0.614	S	S	*	*	H	α-helix	trans	-68.4	-30.1	175	-73.6	-177.3	3.7	0	0	112.9	E368 R374	E368-Q372 WeakPolarHBondContact O-CG 3.37Å; E368-Q372 PolarHBondContact O-N 2.9Å; Q372-R374 PolarHBondContact O-N 2.98Å
373	K	59.2	Low	72.7	Confident	167 Å²	167	136.7 Å²	136.7	73%	0.726	61%	0.613	S	S	*	*	S	Bend	trans	-70.2	91.4	169.8	-78.7	-174.8	179.5	-178.7	0	110	L369 Q371 K375	L369-K373 WeakPolarHBondContact O-CG 3.49Å; L369-K373 PolarHBondContact O-N 3.38Å; Q371-K373 VanDerWaalsContact C-N 3.33Å; Q371-K373 PolarHBondContact O-N 3.06Å; K373-K375 PolarHBondContact O-N 2.96Å
374	R	56.1	Low	72.6	Confident	185 Å²	185	133.9 Å²	133.9	70%	0.698	61%	0.611	S	S	*	*			trans	-45.7	128.7	173.5	-60	-179.7	84.1	179.5	4.7	110.2	Q372 K376 N379	Q372-R374 PolarHBondContact O-N 2.98Å; R374-K376 PolarHBondContact O-N 2.96Å; R374-K376 VanDerWaalsContact O-N 3.09Å; R374-N379 PolarHBondContact NH2-OD1 2.77Å
375	K	55.8	Low	72.8	Confident	180 Å²	180	132.2 Å²	132.2	78%	0.783	61%	0.608	S	S	*	*			trans	-57.3	114.8	173.3	-69.4	178	-179.2	175.1	0	108.4	K373 G377	K373-K375 PolarHBondContact O-N 2.96Å; K375-G377 PolarHBondContact O-N 3.46Å
376	K	51.9	Low	72.7	Confident	227 Å²	227	128.2 Å²	128.2	99%	0.987	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	83.1	177.8	-138.4	178.8	-173.6	-176.8	0	108.1	R374	R374-K376 PolarHBondContact O-N 2.96Å; R374-K376 VanDerWaalsContact O-N 3.09Å
377	G	53.5	Low	73.1	Confident	60 Å²	60	125.7 Å²	125.7	62%	0.619	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	170.4	-25.1	-179	0	0	0	0	0	116.6	K375	K375-G377 PolarHBondContact O-N 3.46Å
378	S	57	Low	73.7	Confident	41 Å²	41	125.7 Å²	125.7	29%	0.287	60%	0.601	S	S	.	*	S	Bend	trans	-85.9	-18.5	-175.8	75	0	0	0	0	114.8	R380 E381 E382	S378-R380 VanDerWaalsContact C-N 3.34Å; S378-R380 PolarHBondContact O-N 2.63Å; S378-E381 PolarHBondContact O-N 2.93Å; S378-E382 WeakPolarHBondContact CB-OE1 3.43Å; S378-E382 WeakPolarHBondContact O-CB 3.16Å; S378-E382 VanDerWaalsContact O-CG 3.28Å; S378-E382 WeakPolarHBondContact O-CG 3.3Å; S378-E382 PolarHBondContact O-N 3.35Å; S378-E382 PolarHBondContact OG-OE1 3.26Å
379	N	64.9	Low	74	Confident	61 Å²	61	124.4 Å²	124.4	33%	0.326	60%	0.598	S	S	.	*	H	α-helix	trans	-65.1	-30.9	-174.1	-73.7	-13.6	0	0	0	113.9	R374 Q383	R374-N379 PolarHBondContact NH2-OD1 2.77Å; N379-Q383 WeakPolarHBondContact O-CB 3.42Å; N379-Q383 VanDerWaalsContact O-CD 3.24Å; N379-Q383 WeakPolarHBondContact O-CG 3.32Å; N379-Q383 PolarHBondContact O-N 3.45Å
380	R	72	Confident	74.6	Confident	202 Å²	202	122.8 Å²	122.8	76%	0.762	59%	0.594	S	S	*	*	H	α-helix	trans	-75.5	-42.2	-178.6	-176.1	171.3	155.9	142.7	-5	111.6	S378 Q383 T384	S378-R380 VanDerWaalsContact C-N 3.34Å; S378-R380 PolarHBondContact O-N 2.63Å; R380-Q383 PolarHBondContact O-N 3.42Å; R380-T384 VanDerWaalsContact O-CG2 3.29Å; R380-T384 WeakPolarHBondContact O-CG2 3.22Å; R380-T384 PolarHBondContact O-N 3.11Å; R380-T384 PolarHBondContact O-OG1 3.41Å
381	E	79.9	Confident	75.6	Confident	143 Å²	143	119 Å²	119	67%	0.668	58%	0.583	S	S	*	*	H	α-helix	trans	-67.3	-43.4	176.7	-67.4	-176.5	169.1	0	0	111.1	S378 Q383 T384 L385	S378-E381 PolarHBondContact O-N 2.93Å; E381-Q383 PolarHBondContact O-N 2.82Å; E381-T384 WeakPolarHBondContact CA-OG1 3.29Å; E381-T384 PolarHBondContact O-N 3.14Å; E381-T384 PolarHBondContact O-OG1 3.22Å; E381-L385 WeakPolarHBondContact O-CG 3.31Å; E381-L385 PolarHBondContact O-N 2.94Å
382	E	83.1	Confident	76.8	Confident	103 Å²	103	117.1 Å²	117.1	48%	0.481	57%	0.572	S	S	.	*	H	α-helix	trans	-62	-41.4	174.6	-71.1	168.9	-154.6	0	0	111.8	S378 L385 A386	S378-E382 WeakPolarHBondContact CB-OE1 3.43Å; S378-E382 WeakPolarHBondContact O-CB 3.16Å; S378-E382 VanDerWaalsContact O-CG 3.28Å; S378-E382 WeakPolarHBondContact O-CG 3.3Å; S378-E382 PolarHBondContact O-N 3.35Å; S378-E382 PolarHBondContact OG-OE1 3.26Å; E382-L385 PolarHBondContact O-N 3.27Å; E382-A386 WeakPolarHBondContact O-CB 3.48Å; E382-A386 PolarHBondContact O-N 3.21Å
383	Q	83.3	Confident	77.8	Confident	119 Å²	119	113 Å²	113	56%	0.556	56%	0.56	S	S	*	*	H	α-helix	trans	-62.8	-42.7	173.2	-79.4	167.6	5.6	0	0	112.1	N379 R380 E381 L385 A386 L387	N379-Q383 WeakPolarHBondContact O-CB 3.42Å; N379-Q383 VanDerWaalsContact O-CD 3.24Å; N379-Q383 WeakPolarHBondContact O-CG 3.32Å; N379-Q383 PolarHBondContact O-N 3.45Å; R380-Q383 PolarHBondContact O-N 3.42Å; E381-Q383 PolarHBondContact O-N 2.82Å; Q383-L385 VanDerWaalsContact C-N 3.35Å; Q383-L385 PolarHBondContact O-N 3.4Å; Q383-A386 PolarHBondContact O-N 2.75Å; Q383-L387 PolarHBondContact O-N 2.8Å
384	T	87.3	Confident	79.3	Confident	75 Å²	75	112 Å²	112	46%	0.46	56%	0.556	S	S	.	*	H	α-helix	trans	-66.2	-36.9	177.5	55.1	0	0	0	0	112.5	R380 E381 L387 L388	R380-T384 VanDerWaalsContact O-CG2 3.29Å; R380-T384 WeakPolarHBondContact O-CG2 3.22Å; R380-T384 PolarHBondContact O-N 3.11Å; R380-T384 PolarHBondContact O-OG1 3.41Å; E381-T384 WeakPolarHBondContact CA-OG1 3.29Å; E381-T384 PolarHBondContact O-N 3.14Å; E381-T384 PolarHBondContact O-OG1 3.22Å; T384-L387 PolarHBondContact O-N 2.87Å; T384-L388 VanDerWaalsContact O-CB 3.32Å; T384-L388 WeakPolarHBondContact O-CB 3.47Å; T384-L388 PolarHBondContact O-N 3.47Å
385	L	90.8	Very high	80.9	Confident	101 Å²	101	107 Å²	107	53%	0.529	54%	0.543	S	S	.	.	H	α-helix	trans	-68.9	-38	175.1	-74.8	171.5	0	0	0	111.6	E381 E382 Q383 L388 N389	E381-L385 WeakPolarHBondContact O-CG 3.31Å; E381-L385 PolarHBondContact O-N 2.94Å; E382-L385 PolarHBondContact O-N 3.27Å; Q383-L385 VanDerWaalsContact C-N 3.35Å; Q383-L385 PolarHBondContact O-N 3.4Å; L385-L388 PolarHBondContact O-N 2.81Å; L385-N389 WeakPolarHBondContact O-CB 3.48Å; L385-N389 PolarHBondContact O-N 3.49Å; L385-N389 PolarHBondContact O-ND2 3.36Å
386	A	90.3	Very high	82.3	Confident	59 Å²	59	101.6 Å²	101.6	49%	0.488	53%	0.528	S	S	.	.	H	α-helix	trans	-63.3	-44.8	174.4	0	0	0	0	0	111.9	E382 Q383 L388 N389 S390	E382-A386 WeakPolarHBondContact O-CB 3.48Å; E382-A386 PolarHBondContact O-N 3.21Å; Q383-A386 PolarHBondContact O-N 2.75Å; A386-L388 VanDerWaalsContact C-N 3.35Å; A386-L388 PolarHBondContact O-N 2.93Å; A386-N389 PolarHBondContact O-N 3.41Å; A386-S390 PolarHBondContact O-N 3.08Å; A386-S390 PolarHBondContact O-OG 3.49Å
387	L	90.4	Very high	83.6	Confident	116 Å²	116	93.1 Å²	93.1	61%	0.607	50%	0.497	S	S	*	.	H	α-helix	trans	-62.3	-39.1	173.8	-86.3	155.3	0	0	0	112.6	Q383 T384 S390 F391	Q383-L387 PolarHBondContact O-N 2.8Å; T384-L387 PolarHBondContact O-N 2.87Å; L387-S390 PolarHBondContact O-OG 3.14Å; L387-F391 WeakPolarHBondContact O-CB 3.46Å; L387-F391 PolarHBondContact O-N 2.94Å
388	L	94.5	Very high	84.6	Confident	80 Å²	80	93.5 Å²	93.5	42%	0.419	49%	0.494	S	S	.	.	H	α-helix	trans	-68.8	-38.5	177.7	-159.1	169.1	0	0	0	110.8	T384 L385 A386 F391 K392	T384-L388 VanDerWaalsContact O-CB 3.32Å; T384-L388 WeakPolarHBondContact O-CB 3.47Å; T384-L388 PolarHBondContact O-N 3.47Å; L385-L388 PolarHBondContact O-N 2.81Å; A386-L388 VanDerWaalsContact C-N 3.35Å; A386-L388 PolarHBondContact O-N 2.93Å; L388-F391 PolarHBondContact O-N 2.94Å; L388-K392 HydrophobicContact CD2-CD 3.57Å; L388-K392 HydrophobicContact CD2-CG 3.93Å; L388-K392 WeakPolarHBondContact O-CB 3.31Å; L388-K392 WeakPolarHBondContact O-CG 3.24Å; L388-K392 PolarHBondContact O-N 3.12Å
389	N	92.9	Very high	85.6	Confident	93 Å²	93	98.1 Å²	98.1	50%	0.497	51%	0.514	S	S	.	.	H	α-helix	trans	-68.6	-39.2	176.6	-71.2	-22.3	0	0	0	112.2	L385 A386 F391 K392 S393	L385-N389 WeakPolarHBondContact O-CB 3.48Å; L385-N389 PolarHBondContact O-N 3.49Å; L385-N389 PolarHBondContact O-ND2 3.36Å; A386-N389 PolarHBondContact O-N 3.41Å; N389-F391 VanDerWaalsContact C-N 3.33Å; N389-K392 PolarHBondContact O-N 3.05Å; N389-S393 PolarHBondContact O-N 3.36Å; N389-S393 PolarHBondContact O-OG 3.47Å
390	S	92.6	Very high	85.9	Confident	49 Å²	49	100.5 Å²	100.5	34%	0.343	53%	0.531	S	S	.	.	H	α-helix	trans	-68.1	-33.2	173.9	67.7	0	0	0	0	112.4	A386 L387 S393 K394	A386-S390 PolarHBondContact O-N 3.08Å; A386-S390 PolarHBondContact O-OG 3.49Å; L387-S390 PolarHBondContact O-OG 3.14Å; S390-S393 WeakPolarHBondContact CA-OG 3.32Å; S390-S393 PolarHBondContact O-OG 2.69Å; S390-K394 WeakPolarHBondContact O-CB 3.4Å; S390-K394 WeakPolarHBondContact O-CG 3.49Å; S390-K394 PolarHBondContact O-N 3.42Å
391	F	94.4	Very high	85.1	Confident	126 Å²	126	97.7 Å²	97.7	55%	0.553	53%	0.527	S	S	*	.	H	α-helix	trans	-67.6	-43.1	172	-176.8	-104	0	0	0	111.9	L387 L388 N389 S393 K394 L395	L387-F391 WeakPolarHBondContact O-CB 3.46Å; L387-F391 PolarHBondContact O-N 2.94Å; L388-F391 PolarHBondContact O-N 2.94Å; N389-F391 VanDerWaalsContact C-N 3.33Å; F391-S393 VanDerWaalsContact C-N 3.33Å; F391-S393 PolarHBondContact O-N 2.93Å; F391-K394 PolarHBondContact O-N 3.02Å; F391-L395 HydrophobicContact CD1-CD1 3.93Å; F391-L395 HydrophobicContact CD1-CG 4.36Å; F391-L395 HydrophobicContact CE1-CD1 3.35Å; F391-L395 HydrophobicContact CE1-CG 3.96Å; F391-L395 HydrophobicContact CZ-CD1 3.82Å; F391-L395 HydrophobicContact CZ-CD2 4.29Å; F391-L395 HydrophobicContact CZ-CG 4.05Å; F391-L395 PolarHBondContact O-N 3.05Å
392	K	93.2	Very high	83.9	Confident	123 Å²	123	93.5 Å²	93.5	54%	0.535	52%	0.521	S	S	.	.	H	α-helix	trans	-60.9	-40.8	174.4	-81.5	174	171.7	171.2	0	112.2	L388 N389 L395 S396	L388-K392 HydrophobicContact CD2-CD 3.57Å; L388-K392 HydrophobicContact CD2-CG 3.93Å; L388-K392 WeakPolarHBondContact O-CB 3.31Å; L388-K392 WeakPolarHBondContact O-CG 3.24Å; L388-K392 PolarHBondContact O-N 3.12Å; N389-K392 PolarHBondContact O-N 3.05Å; K392-L395 PolarHBondContact O-N 3.24Å; K392-S396 PolarHBondContact O-N 3.39Å; K392-S396 PolarHBondContact O-OG 3.38Å
393	S	90.3	Very high	82.4	Confident	63 Å²	63	95.1 Å²	95.1	44%	0.441	54%	0.541	S	S	.	.	H	α-helix	trans	-67.6	-39.1	177.9	64.1	0	0	0	0	112	N389 S390 F391 S396 S397	N389-S393 PolarHBondContact O-N 3.36Å; N389-S393 PolarHBondContact O-OG 3.47Å; S390-S393 WeakPolarHBondContact CA-OG 3.32Å; S390-S393 PolarHBondContact O-OG 2.69Å; F391-S393 VanDerWaalsContact C-N 3.33Å; F391-S393 PolarHBondContact O-N 2.93Å; S393-S396 VanDerWaalsContact CA-OG 3.29Å; S393-S396 WeakPolarHBondContact CA-OG 3.49Å; S393-S396 PolarHBondContact O-N 3.29Å; S393-S396 PolarHBondContact O-OG 3.15Å; S393-S397 PolarHBondContact O-N 2.86Å; S393-S397 PolarHBondContact O-OG 2.96Å
394	K	91.4	Very high	80.3	Confident	145 Å²	145	98.3 Å²	98.3	63%	0.63	56%	0.556	S	S	*	*	H	α-helix	trans	-65.3	-36.8	173.6	-75.2	-179.8	179.4	-171.3	0	112.9	S390 F391 S397 A398	S390-K394 WeakPolarHBondContact O-CB 3.4Å; S390-K394 WeakPolarHBondContact O-CG 3.49Å; S390-K394 PolarHBondContact O-N 3.42Å; F391-K394 PolarHBondContact O-N 3.02Å; K394-S397 WeakPolarHBondContact CA-OG 3.5Å; K394-S397 PolarHBondContact O-OG 3.21Å; K394-A398 VanDerWaalsContact O-CB 3.24Å; K394-A398 WeakPolarHBondContact O-CB 3.48Å; K394-A398 PolarHBondContact O-N 2.99Å
395	L	89.3	Confident	78.1	Confident	82 Å²	82	104.2 Å²	104.2	43%	0.429	58%	0.578	S	S	.	*	H	α-helix	trans	-68.5	-41.9	172.8	-76.6	-177.6	0	0	0	111.5	F391 K392 S397 A398 I399	F391-L395 HydrophobicContact CD1-CD1 3.93Å; F391-L395 HydrophobicContact CD1-CG 4.36Å; F391-L395 HydrophobicContact CE1-CD1 3.35Å; F391-L395 HydrophobicContact CE1-CG 3.96Å; F391-L395 HydrophobicContact CZ-CD1 3.82Å; F391-L395 HydrophobicContact CZ-CD2 4.29Å; F391-L395 HydrophobicContact CZ-CG 4.05Å; F391-L395 PolarHBondContact O-N 3.05Å; K392-L395 PolarHBondContact O-N 3.24Å; L395-S397 VanDerWaalsContact C-N 3.32Å; L395-S397 PolarHBondContact O-N 3.5Å; L395-A398 PolarHBondContact O-N 3.28Å; L395-I399 WeakPolarHBondContact O-CB 3.37Å; L395-I399 VanDerWaalsContact O-CD1 3.3Å; L395-I399 WeakPolarHBondContact O-CD1 3.27Å; L395-I399 WeakPolarHBondContact O-CG1 3.08Å; L395-I399 PolarHBondContact O-N 3.38Å
396	S	84.4	Confident	76.1	Confident	66 Å²	66	108.3 Å²	108.3	46%	0.462	60%	0.595	S	S	.	*	H	α-helix	trans	-64.4	-38.7	176	54.2	0	0	0	0	111.8	K392 S393 I399 T400	K392-S396 PolarHBondContact O-N 3.39Å; K392-S396 PolarHBondContact O-OG 3.38Å; S393-S396 VanDerWaalsContact CA-OG 3.29Å; S393-S396 WeakPolarHBondContact CA-OG 3.49Å; S393-S396 PolarHBondContact O-N 3.29Å; S393-S396 PolarHBondContact O-OG 3.15Å; S396-I399 PolarHBondContact O-N 2.98Å; S396-T400 WeakPolarHBondContact O-CG2 3.4Å; S396-T400 PolarHBondContact O-N 3.41Å; S396-T400 PolarHBondContact O-OG1 3.34Å
397	S	81	Confident	73.7	Confident	49 Å²	49	114.1 Å²	114.1	34%	0.343	61%	0.612	S	S	.	*	H	α-helix	trans	-67.4	-44.6	176.7	64.8	0	0	0	0	111.8	S393 K394 L395 I399 T400 E401	S393-S397 PolarHBondContact O-N 2.86Å; S393-S397 PolarHBondContact O-OG 2.96Å; K394-S397 WeakPolarHBondContact CA-OG 3.5Å; K394-S397 PolarHBondContact O-OG 3.21Å; L395-S397 VanDerWaalsContact C-N 3.32Å; L395-S397 PolarHBondContact O-N 3.5Å; S397-I399 VanDerWaalsContact C-N 3.25Å; S397-I399 PolarHBondContact O-N 2.96Å; S397-T400 WeakPolarHBondContact CA-OG1 3.48Å; S397-T400 PolarHBondContact O-N 2.91Å; S397-T400 VanDerWaalsContact O-N 3.13Å; S397-T400 PolarHBondContact O-OG1 2.92Å; S397-E401 PolarHBondContact O-N 3.36Å
398	A	74.8	Confident	71.1	Confident	68 Å²	68	115.8 Å²	115.8	56%	0.562	62%	0.621	S	S	*	*	H	α-helix	trans	-68.4	-20	176.7	0	0	0	0	0	114.2	K394 L395	K394-A398 VanDerWaalsContact O-CB 3.24Å; K394-A398 WeakPolarHBondContact O-CB 3.48Å; K394-A398 PolarHBondContact O-N 2.99Å; L395-A398 PolarHBondContact O-N 3.28Å
399	I	76.6	Confident	68.3	Low	138 Å²	138	119 Å²	119	71%	0.708	64%	0.644	S	S	*	*	H	α-helix	trans	-84.3	-31.4	172.3	-69.7	164.5	0	0	0	110.7	L395 S396 S397	L395-I399 WeakPolarHBondContact O-CB 3.37Å; L395-I399 VanDerWaalsContact O-CD1 3.3Å; L395-I399 WeakPolarHBondContact O-CD1 3.27Å; L395-I399 WeakPolarHBondContact O-CG1 3.08Å; L395-I399 PolarHBondContact O-N 3.38Å; S396-I399 PolarHBondContact O-N 2.98Å; S397-I399 VanDerWaalsContact C-N 3.25Å; S397-I399 PolarHBondContact O-N 2.96Å
400	T	70.7	Confident	65.8	Low	111 Å²	111	123.2 Å²	123.2	68%	0.681	66%	0.661	S	S	*	*	H	α-helix	trans	-81.4	-28.8	178	50.4	0	0	0	0	113.3	S396 S397	S396-T400 WeakPolarHBondContact O-CG2 3.4Å; S396-T400 PolarHBondContact O-N 3.41Å; S396-T400 PolarHBondContact O-OG1 3.34Å; S397-T400 WeakPolarHBondContact CA-OG1 3.48Å; S397-T400 PolarHBondContact O-N 2.91Å; S397-T400 VanDerWaalsContact O-N 3.13Å; S397-T400 PolarHBondContact O-OG1 2.92Å
401	E	57.2	Low	63.4	Low	143 Å²	143	130.1 Å²	130.1	67%	0.668	69%	0.688	S	S	*	*	S	Bend	trans	-99.1	102.2	175.8	-71.4	168.3	175.6	0	0	108.9	S397	S397-E401 PolarHBondContact O-N 3.36Å
402	G	52.7	Low	60.6	Low	54 Å²	54	132 Å²	132	56%	0.557	70%	0.703	S	S	*	*			trans	-64.8	160.6	160.8	0	0	0	0	0	110.4	E404	G402-E404 PolarHBondContact O-N 2.97Å
403	P	52.6	Low	58.1	Low	138 Å²	138	131.1 Å²	131.1	90%	0.896	72%	0.718	S	S	*	*	S	Bend	trans	-73.9	98.7	-160.9	32.3	-32.7	0	0	0	110.5
404	E	38.1	Very low	55.6	Low	186 Å²	186	136.3 Å²	136.3	87%	0.869	74%	0.735	S	S	*	*			trans	-125.4	115.3	162.8	-70.6	-172.8	175.3	0	0	108.1	G402	G402-E404 PolarHBondContact O-N 2.97Å
405	E	42.4	Very low	53.3	Low	198 Å²	198	137.3 Å²	137.3	93%	0.925	75%	0.747	S	S	*	*			trans	26	132.1	153.5	-63.3	177.7	169.9	0	0	120.9
406	E	47.7	Very low	51	Low	187 Å²	187	139.2 Å²	139.2	87%	0.874	76%	0.758	S	S	*	*			trans	-44.6	134.6	172	-57.2	171.8	164	0	0	113.4
407	E	40	Very low	49.5	Very low	182 Å²	182	144 Å²	144	85%	0.85	78%	0.778	S	S	*	*			trans	-173	144	132.3	-102.9	167.6	-169.3	0	0	112.4
408	D	36.1	Very low	47.8	Very low	150 Å²	150	150.9 Å²	150.9	80%	0.802	80%	0.802	S	S	*	*			trans	71.6	95.2	162.4	-58.8	-22.7	0	0	0	120.7
409	V	36.6	Very low	46.7	Very low	149 Å²	149	149.8 Å²	149.8	90%	0.903	80%	0.797	S	S	*	*			trans	-111.5	113.4	156.5	-178.6	0	0	0	0	109.1
410	E	38.8	Very low	45.4	Very low	181 Å²	181	154.9 Å²	154.9	85%	0.846	81%	0.808	S	S	*	*			trans	-59.8	132.5	169.5	-71	178.3	147.9	0	0	111.9	L412	E410-L412 PolarHBondContact O-N 3.02Å
411	E	43.4	Very low	44.4	Very low	194 Å²	194	158.8 Å²	158.8	91%	0.907	82%	0.821	S	S	*	*			trans	-18.1	100.5	163.4	-156	173.9	-144	0	0	116.3
412	L	35.3	Very low	44.3	Very low	166 Å²	166	155.7 Å²	155.7	87%	0.869	82%	0.82	S	S	*	*			trans	-144	102.8	159.4	-80	177.7	0	0	0	111	E410	E410-L412 PolarHBondContact O-N 3.02Å
413	A	40.2	Very low	44.2	Very low	103 Å²	103	161.4 Å²	161.4	85%	0.851	83%	0.832	S	S	*	*			trans	27	97	155.5	0	0	0	0	0	117.3	D415	A413-D415 PolarHBondContact O-N 3.48Å
414	E	39.4	Very low	44.6	Very low	173 Å²	173	160.7 Å²	160.7	81%	0.808	82%	0.824	S	S	*	*			trans	-64.8	116.9	166.7	-65	174	163.8	0	0	111.1
415	D	42.9	Very low	45.4	Very low	165 Å²	165	158.1 Å²	158.1	88%	0.882	82%	0.816	S	S	*	*			trans	-116.5	73	142.8	-90.7	-29.7	0	0	0	106.2	A413	A413-D415 PolarHBondContact O-N 3.48Å
416	D	39.7	Very low	46.1	Very low	122 Å²	122	157.4 Å²	157.4	65%	0.652	81%	0.813	S	S	*	*			trans	-92.2	107.9	171.6	-100	-15.5	0	0	0	109.3	K418	D416-K418 PolarHBondContact O-N 3.44Å
417	D	53.3	Low	46.3	Very low	167 Å²	167	156.5 Å²	156.5	89%	0.893	81%	0.806	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	40	175.5	-80.1	-32.9	0	0	0	113.9
418	K	46.2	Very low	47.1	Very low	193 Å²	193	155 Å²	155	84%	0.839	80%	0.804	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.1	11.8	176.7	-75.3	178.9	-177.3	167.6	0	114.2	D416	D416-K418 PolarHBondContact O-N 3.44Å
419	G	50.2	Low	48	Very low	45 Å²	45	157.2 Å²	157.2	46%	0.464	81%	0.81	S	S	.	*			trans	-98.3	-0.5	-177.7	0	0	0	0	0	117.5	M421 A422	G419-M421 PolarHBondContact O-N 2.98Å; G419-M421 VanDerWaalsContact O-N 3.1Å; G419-A422 PolarHBondContact O-N 2.91Å
420	W	50.9	Low	49	Very low	245 Å²	245	158.1 Å²	158.1	93%	0.928	80%	0.804	S	S	*	*	G	3₁₀ helix	trans	-61.6	-26.2	-170.8	-170.9	-64.6	0	0	0	113.9
421	M	49.3	Very low	49.4	Very low	193 Å²	193	154.2 Å²	154.2	95%	0.951	80%	0.797	S	S	*	*	G	3₁₀ helix	trans	-84.8	-3.8	-178	-75	-95.7	-75.3	0	0	114.6	G419	G419-M421 PolarHBondContact O-N 2.98Å; G419-M421 VanDerWaalsContact O-N 3.1Å
422	A	53.7	Low	49.7	Very low	79 Å²	79	155.9 Å²	155.9	65%	0.653	80%	0.795	S	S	*	*	G	3₁₀ helix	trans	-106.8	7.4	-173.6	0	0	0	0	0	114.8	G419 V424	G419-A422 PolarHBondContact O-N 2.91Å; A422-V424 PolarHBondContact O-N 2.97Å
423	H	52.2	Low	50.7	Low	173 Å²	173	156.7 Å²	156.7	80%	0.801	79%	0.791	S	S	*	*			trans	-73.7	95.9	175.8	-106.6	-72.4	0	0	0	111.1	L425	H423-L425 PolarHBondContact O-N 3.35Å
424	V	60	Low	51.5	Low	123 Å²	123	158.4 Å²	158.4	75%	0.745	79%	0.791	S	S	*	*			trans	-70.2	115.7	164.5	178.3	0	0	0	0	107.8	A422 Q426	A422-V424 PolarHBondContact O-N 2.97Å; V424-Q426 PolarHBondContact O-N 3.38Å; V424-Q426 VanDerWaalsContact O-N 3.09Å
425	L	55.6	Low	52.4	Low	133 Å²	133	156.7 Å²	156.7	70%	0.696	78%	0.781	S	S	*	*			trans	-64.2	106.7	175.5	-101.7	131.1	0	0	0	110	H423 F427	H423-L425 PolarHBondContact O-N 3.35Å; L425-F427 HydrophobicContact CB-CE2 4.16Å; L425-F427 HydrophobicContact CD2-CE1 4.05Å; L425-F427 HydrophobicContact CD2-CE2 3.94Å; L425-F427 HydrophobicContact CD2-CZ 3.61Å
426	Q	56	Low	53.1	Low	183 Å²	183	154.8 Å²	154.8	86%	0.855	77%	0.771	S	S	*	*	P	Polyproline II helix	trans	-89.1	117.5	163	-77.2	179.5	-12.1	0	0	108.5	V424	V424-Q426 PolarHBondContact O-N 3.38Å; V424-Q426 VanDerWaalsContact O-N 3.09Å
427	F	52.7	Low	54.1	Low	168 Å²	168	154 Å²	154	74%	0.737	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-90.4	122.1	167.7	-69.1	-82.8	0	0	0	107.9	L425 E429	L425-F427 HydrophobicContact CB-CE2 4.16Å; L425-F427 HydrophobicContact CD2-CE1 4.05Å; L425-F427 HydrophobicContact CD2-CE2 3.94Å; L425-F427 HydrophobicContact CD2-CZ 3.61Å; F427-E429 PolarHBondContact O-N 3.46Å
428	D	56	Low	54.6	Low	151 Å²	151	153.8 Å²	153.8	81%	0.807	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-59.1	118.8	166.2	-91.7	-28.8	0	0	0	108.8	Q430	D428-Q430 PolarHBondContact O-N 3Å
429	E	55.3	Low	55.4	Low	195 Å²	195	152 Å²	152	91%	0.911	78%	0.777	S	S	*	*			trans	-67.2	23.3	175.3	-75.5	-172	152.8	0	0	113.5	F427 S431	F427-E429 PolarHBondContact O-N 3.46Å; E429-S431 PolarHBondContact O-N 3.39Å
430	Q	57	Low	55.9	Low	168 Å²	168	157.1 Å²	157.1	79%	0.785	79%	0.788	S	S	*	*			trans	-78.5	84.2	161.3	-76.1	-171.8	-12.1	0	0	108.3	D428 R432	D428-Q430 PolarHBondContact O-N 3Å; Q430-R432 VanDerWaalsContact C-N 3.31Å; Q430-R432 PolarHBondContact O-N 2.9Å
431	S	47.8	Very low	56.6	Low	100 Å²	100	148.9 Å²	148.9	70%	0.699	76%	0.763	S	S	*	*			trans	-46.3	98	164	61.2	0	0	0	0	109.1	E429 K433	E429-S431 PolarHBondContact O-N 3.39Å; S431-K433 PolarHBondContact O-N 2.92Å
432	R	49.3	Very low	57.4	Low	228 Å²	228	149.3 Å²	149.3	86%	0.86	76%	0.762	S	S	*	*			trans	-63.7	94.3	160.8	-71.9	-177.4	179.7	-176.2	0	104.8	Q430 V434	Q430-R432 VanDerWaalsContact C-N 3.31Å; Q430-R432 PolarHBondContact O-N 2.9Å; R432-V434 PolarHBondContact O-N 3.36Å
433	K	56.6	Low	57.7	Low	183 Å²	183	152 Å²	152	80%	0.796	77%	0.766	S	S	*	*			trans	-44.2	128.4	161.6	-71.5	178.7	179	176.8	0	105.8	S431 K435	S431-K433 PolarHBondContact O-N 2.92Å; K433-K435 PolarHBondContact O-N 2.91Å
434	V	58.1	Low	58.4	Low	140 Å²	140	147.3 Å²	147.3	85%	0.848	75%	0.749	S	S	*	*			trans	-38	112.6	175.9	177.8	0	0	0	0	107.7	R432 D436	R432-V434 PolarHBondContact O-N 3.36Å; V434-D436 PolarHBondContact O-N 3.47Å
435	K	57.3	Low	58.2	Low	136 Å²	136	150 Å²	150	59%	0.591	75%	0.751	S	S	*	*			trans	-65.2	113.1	179.5	-75.9	-171.2	169.7	-157	0	106.6	K433 A437 D441	K433-K435 PolarHBondContact O-N 2.91Å; K435-A437 PolarHBondContact O-N 3.02Å; K435-D441 IonicContact NZ-OD1 2.79Å; K435-D441 PolarHBondContact NZ-OD1 2.7Å; K435-D441 IonicContact NZ-OD2 3.07Å; K435-D441 PolarHBondContact NZ-OD2 3.27Å; K435-D441 VanDerWaalsContact NZ-OD2 3.07Å
436	D	58.7	Low	58.5	Low	126 Å²	126	150.6 Å²	150.6	67%	0.674	75%	0.75	S	S	*	*			trans	-56.4	127.3	173.9	-109	-29.6	0	0	0	108.7	V434 N438 M439	V434-D436 PolarHBondContact O-N 3.47Å; D436-N438 PolarHBondContact O-N 3.39Å; D436-M439 PolarHBondContact O-N 3.49Å
437	A	60	Low	58.7	Low	106 Å²	106	149.6 Å²	149.6	88%	0.876	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.1	-6.1	-178.7	0	0	0	0	0	113.9	K435	K435-A437 PolarHBondContact O-N 3.02Å
438	N	63.3	Low	58.9	Low	161 Å²	161	147.4 Å²	147.4	86%	0.861	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.3	-6.9	178.2	-90.3	-7.1	0	0	0	114.4	D436	D436-N438 PolarHBondContact O-N 3.39Å
439	M	62.8	Low	59.5	Low	156 Å²	156	144.1 Å²	144.1	77%	0.768	72%	0.72	S	S	*	*	S	Bend	trans	-84.4	123.6	170.5	-87.5	-156.5	157.6	0	0	109.7	D436 D441	D436-M439 PolarHBondContact O-N 3.49Å; M439-D441 PolarHBondContact O-N 3.18Å
440	Q	62.1	Low	59.8	Low	152 Å²	152	138.9 Å²	138.9	71%	0.71	70%	0.703	S	S	*	*			trans	-70.7	111.6	172.6	-68.7	-172.3	-29.4	0	0	108.6
441	D	65.8	Low	60.2	Low	73 Å²	73	141.7 Å²	141.7	39%	0.39	71%	0.706	S	S	.	*			trans	-68.9	156.3	173.2	-84.1	-33.6	0	0	0	110.6	K435 M439 D443 T444	K435-D441 IonicContact NZ-OD1 2.79Å; K435-D441 PolarHBondContact NZ-OD1 2.7Å; K435-D441 IonicContact NZ-OD2 3.07Å; K435-D441 PolarHBondContact NZ-OD2 3.27Å; K435-D441 VanDerWaalsContact NZ-OD2 3.07Å; M439-D441 PolarHBondContact O-N 3.18Å; D441-D443 PolarHBondContact O-N 2.79Å; D441-D443 VanDerWaalsContact O-N 3.1Å; D441-T444 PolarHBondContact N-OG1 3.29Å; D441-T444 WeakPolarHBondContact O-CB 3.45Å; D441-T444 PolarHBondContact O-N 2.83Å; D441-T444 PolarHBondContact O-OG1 3.4Å
442	E	64.4	Low	61.7	Low	201 Å²	201	140 Å²	140	94%	0.939	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.5	-21.3	175.8	-64	-176	165.4	0	0	113.2
443	D	61.5	Low	63	Low	137 Å²	137	133.1 Å²	133.1	73%	0.733	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90	4.3	175.5	-64.1	-37.2	0	0	0	113.6	D441 F445	D441-D443 PolarHBondContact O-N 2.79Å; D441-D443 VanDerWaalsContact O-N 3.1Å; D443-F445 VanDerWaalsContact O-CD2 3.28Å; D443-F445 WeakPolarHBondContact O-CD2 3.38Å; D443-F445 PolarHBondContact O-N 2.94Å
444	T	65.5	Low	63.8	Low	73 Å²	73	128.2 Å²	128.2	45%	0.448	66%	0.659	S	S	.	*			trans	-81.1	98.5	178.3	-46.9	0	0	0	0	110	D441 E446	D441-T444 PolarHBondContact N-OG1 3.29Å; D441-T444 WeakPolarHBondContact O-CB 3.45Å; D441-T444 PolarHBondContact O-N 2.83Å; D441-T444 PolarHBondContact O-OG1 3.4Å; T444-E446 PolarHBondContact O-N 3.43Å
445	F	57	Low	64.5	Low	181 Å²	181	122.9 Å²	122.9	79%	0.794	63%	0.626	S	S	*	*			trans	-77.6	117.4	175.5	-69	-85.2	0	0	0	111.3	D443 I447	D443-F445 VanDerWaalsContact O-CD2 3.28Å; D443-F445 WeakPolarHBondContact O-CD2 3.38Å; D443-F445 PolarHBondContact O-N 2.94Å; F445-I447 PolarHBondContact O-N 2.83Å; F445-I447 VanDerWaalsContact O-N 3.13Å
446	E	61.9	Low	65.4	Low	144 Å²	144	122.3 Å²	122.3	67%	0.673	62%	0.623	S	S	*	*			trans	-66.5	109.7	167.3	-69.7	-169.4	163.1	0	0	109.7	T444 Y448	T444-E446 PolarHBondContact O-N 3.43Å; E446-Y448 PolarHBondContact O-N 3.23Å
447	I	60.3	Low	66.4	Low	163 Å²	163	124.3 Å²	124.3	84%	0.836	62%	0.621	S	S	*	*			trans	-69.6	98.5	174.9	-62.2	163.8	0	0	0	108.3	F445 D449	F445-I447 PolarHBondContact O-N 2.83Å; F445-I447 VanDerWaalsContact O-N 3.13Å; I447-D449 PolarHBondContact O-N 3.14Å
448	Y	56.5	Low	67.3	Low	121 Å²	121	127.4 Å²	127.4	48%	0.475	61%	0.61	S	S	.	*			trans	-78.7	90.2	-178.9	-168	-101.6	0	0	0	110.9	E446 P450 N455 R459	E446-Y448 PolarHBondContact O-N 3.23Å; Y448-P450 VanDerWaalsContact O-CD 3.27Å; Y448-P450 WeakPolarHBondContact O-CD 3.5Å; Y448-N455 HydrophobicContact CE2-CB 3.9Å; Y448-R459 PolarHBondContact OH-NE 2.93Å; Y448-R459 PolarHBondContact OH-NH2 3.26Å
449	D	67.7	Low	68	Low	83 Å²	83	124.3 Å²	124.3	44%	0.444	59%	0.587	S	S	.	*			trans	-77.3	114.6	171	-171.1	-18.8	0	0	0	110.1	I447 R451 N452 N455	I447-D449 PolarHBondContact O-N 3.14Å; D449-R451 PolarHBondContact O-N 2.86Å; D449-R451 WeakPolarHBondContact OD1-CB 3.26Å; D449-R451 PolarHBondContact OD1-N 3.38Å; D449-N452 PolarHBondContact O-N 2.96Å; D449-N455 PolarHBondContact O-ND2 2.83Å
450	P	62.6	Low	69	Low	85 Å²	85	122.1 Å²	122.1	55%	0.552	58%	0.575	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.8	-10.8	-178.7	28.8	-35.8	0	0	0	114	Y448	Y448-P450 VanDerWaalsContact O-CD 3.27Å; Y448-P450 WeakPolarHBondContact O-CD 3.5Å
451	R	65.6	Low	70	Confident	226 Å²	226	120.5 Å²	120.5	85%	0.853	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-9	176.9	-66.9	178.2	176.7	158.4	-0.5	113.3	D449 P453	D449-R451 PolarHBondContact O-N 2.86Å; D449-R451 WeakPolarHBondContact OD1-CB 3.26Å; D449-R451 PolarHBondContact OD1-N 3.38Å; R451-P453 WeakPolarHBondContact O-CD 3.22Å
452	N	78.2	Confident	70.9	Confident	66 Å²	66	119.8 Å²	119.8	35%	0.353	57%	0.568	S	S	.	*			trans	-67.1	122.9	178	-174.3	-19.9	0	0	0	110.4	D449 V454 N455 K456	D449-N452 PolarHBondContact O-N 2.96Å; N452-V454 PolarHBondContact O-N 3.03Å; N452-V454 PolarHBondContact OD1-N 3.46Å; N452-V454 VanDerWaalsContact OD1-N 3.14Å; N452-N455 HydrophobicContact CB-CB 4.39Å; N452-N455 PolarHBondContact O-N 2.91Å; N452-N455 VanDerWaalsContact O-N 3.13Å; N452-K456 PolarHBondContact O-N 3.24Å
453	P	77.1	Confident	71.9	Confident	82 Å²	82	116.6 Å²	116.6	53%	0.532	55%	0.551	S	S	.	*	H	α-helix	trans	-60	-28.3	-176.6	22.4	-34	0	0	0	113.9	R451 K456 R457	R451-P453 WeakPolarHBondContact O-CD 3.22Å; P453-K456 PolarHBondContact O-N 3.1Å; P453-R457 WeakPolarHBondContact O-CG 3.46Å; P453-R457 PolarHBondContact O-N 2.92Å
454	V	73.6	Confident	73.1	Confident	81 Å²	81	117.9 Å²	117.9	49%	0.491	55%	0.55	S	S	.	.	H	α-helix	trans	-69.1	-41	177.6	-179.8	0	0	0	0	111	N452 K456 R457 R458	N452-V454 PolarHBondContact O-N 3.03Å; N452-V454 PolarHBondContact OD1-N 3.46Å; N452-V454 VanDerWaalsContact OD1-N 3.14Å; V454-K456 VanDerWaalsContact C-N 3.32Å; V454-K456 PolarHBondContact O-N 2.93Å; V454-R457 PolarHBondContact O-N 2.89Å; V454-R458 PolarHBondContact O-N 3.4Å; V454-R458 VanDerWaalsContact O-N 3.15Å
455	N	72.8	Confident	74.1	Confident	27 Å²	27	118.8 Å²	118.8	14%	0.144	55%	0.551	C	S	.	*	H	α-helix	trans	-69.4	-31.5	177.9	-69.8	-21	0	0	0	112.1	Y448 D449 N452 R459	Y448-N455 HydrophobicContact CE2-CB 3.9Å; D449-N455 PolarHBondContact O-ND2 2.83Å; N452-N455 HydrophobicContact CB-CB 4.39Å; N452-N455 PolarHBondContact O-N 2.91Å; N452-N455 VanDerWaalsContact O-N 3.13Å; N455-R459 WeakPolarHBondContact O-CB 3.44Å; N455-R459 PolarHBondContact O-N 3.46Å; N455-R459 VanDerWaalsContact O-N 3.11Å
456	K	77.1	Confident	75.2	Confident	125 Å²	125	116.3 Å²	116.3	54%	0.543	54%	0.543	S	S	.	.	H	α-helix	trans	-63.8	-45.8	173.3	-171.7	178.4	176.6	-175.7	0	111.5	N452 P453 V454 R459 E460	N452-K456 PolarHBondContact O-N 3.24Å; P453-K456 PolarHBondContact O-N 3.1Å; V454-K456 VanDerWaalsContact C-N 3.32Å; V454-K456 PolarHBondContact O-N 2.93Å; K456-R459 PolarHBondContact O-N 2.88Å; K456-E460 WeakPolarHBondContact CE-OE1 3.43Å; K456-E460 WeakPolarHBondContact O-CG 3.32Å; K456-E460 PolarHBondContact O-N 3.04Å
457	R	79.3	Confident	76.3	Confident	167 Å²	167	117.3 Å²	117.3	63%	0.63	55%	0.545	S	S	*	.	H	α-helix	trans	-61.3	-48.7	177.1	-68.1	179.8	-162.6	168.5	4.4	111.9	P453 V454 R459 E460 E461	P453-R457 WeakPolarHBondContact O-CG 3.46Å; P453-R457 PolarHBondContact O-N 2.92Å; V454-R457 PolarHBondContact O-N 2.89Å; R457-R459 PolarHBondContact O-N 3.28Å; R457-E460 PolarHBondContact O-N 3.31Å; R457-E460 VanDerWaalsContact O-N 3.1Å; R457-E461 WeakPolarHBondContact O-CG 3.13Å; R457-E461 PolarHBondContact O-N 3.1Å
458	R	78.4	Confident	77.4	Confident	172 Å²	172	115.1 Å²	115.1	65%	0.649	53%	0.532	S	S	*	.	H	α-helix	trans	-57	-36.8	176.1	-83.7	-176.1	161.8	-175.8	-4.6	112.9	V454 S462	V454-R458 PolarHBondContact O-N 3.4Å; V454-R458 VanDerWaalsContact O-N 3.15Å; R458-S462 WeakPolarHBondContact O-CB 3.25Å; R458-S462 PolarHBondContact O-N 3.14Å; R458-S462 PolarHBondContact O-OG 3.31Å
459	R	78.2	Confident	78.7	Confident	95 Å²	95	116 Å²	116	36%	0.358	54%	0.538	S	S	.	.	H	α-helix	trans	-72.8	-36.1	177.7	-163.2	-174.6	-57.5	172.5	9.5	112.6	Y448 N455 K456 R457 S462 K463	Y448-R459 PolarHBondContact OH-NE 2.93Å; Y448-R459 PolarHBondContact OH-NH2 3.26Å; N455-R459 WeakPolarHBondContact O-CB 3.44Å; N455-R459 PolarHBondContact O-N 3.46Å; N455-R459 VanDerWaalsContact O-N 3.11Å; K456-R459 PolarHBondContact O-N 2.88Å; R457-R459 PolarHBondContact O-N 3.28Å; R459-S462 PolarHBondContact O-OG 2.6Å; R459-S462 VanDerWaalsContact O-OG 3.08Å; R459-K463 WeakPolarHBondContact O-CB 3.31Å; R459-K463 VanDerWaalsContact O-CG 3.29Å; R459-K463 WeakPolarHBondContact O-CG 3.4Å; R459-K463 PolarHBondContact O-N 2.75Å; R459-K463 VanDerWaalsContact O-N 3.1Å
460	E	83.1	Confident	79.2	Confident	111 Å²	111	120.1 Å²	120.1	52%	0.519	55%	0.552	S	S	.	*	H	α-helix	trans	-69.3	-40.3	175.6	-73.6	173.4	-174	0	0	110.9	K456 R457 K463 K464	K456-E460 WeakPolarHBondContact CE-OE1 3.43Å; K456-E460 WeakPolarHBondContact O-CG 3.32Å; K456-E460 PolarHBondContact O-N 3.04Å; R457-E460 PolarHBondContact O-N 3.31Å; R457-E460 VanDerWaalsContact O-N 3.1Å; E460-K463 PolarHBondContact O-N 3.31Å; E460-K464 WeakPolarHBondContact O-CB 3.32Å; E460-K464 PolarHBondContact O-N 3.03Å
461	E	83.4	Confident	79.8	Confident	117 Å²	117	120.1 Å²	120.1	55%	0.547	56%	0.559	S	S	.	*	H	α-helix	trans	-63.4	-46.9	173.9	-73.8	173.2	174	0	0	112.3	R457 K463 K464 I465	R457-E461 WeakPolarHBondContact O-CG 3.13Å; R457-E461 PolarHBondContact O-N 3.1Å; E461-K463 VanDerWaalsContact C-N 3.32Å; E461-K463 PolarHBondContact O-N 2.91Å; E461-K464 WeakPolarHBondContact O-CA 3.27Å; E461-K464 WeakPolarHBondContact O-CB 3.35Å; E461-K464 PolarHBondContact O-N 3.07Å; E461-I465 WeakPolarHBondContact O-CG1 3.47Å; E461-I465 PolarHBondContact O-N 3.22Å
462	S	83.9	Confident	80.1	Confident	58 Å²	58	117.7 Å²	117.7	41%	0.406	56%	0.555	S	S	.	*	H	α-helix	trans	-63.6	-37.6	177.8	67.5	0	0	0	0	112.3	R458 R459 K464 I465 M466	R458-S462 WeakPolarHBondContact O-CB 3.25Å; R458-S462 PolarHBondContact O-N 3.14Å; R458-S462 PolarHBondContact O-OG 3.31Å; R459-S462 PolarHBondContact O-OG 2.6Å; R459-S462 VanDerWaalsContact O-OG 3.08Å; S462-K464 VanDerWaalsContact C-N 3.33Å; S462-K464 PolarHBondContact O-N 3.39Å; S462-I465 PolarHBondContact O-N 2.95Å; S462-M466 WeakPolarHBondContact O-CB 3.46Å; S462-M466 WeakPolarHBondContact O-CG 3.1Å; S462-M466 PolarHBondContact O-N 3.29Å
463	K	85.6	Confident	79.2	Confident	134 Å²	134	127.8 Å²	127.8	58%	0.583	59%	0.588	S	S	*	*	H	α-helix	trans	-64.2	-36.5	171.3	-78.3	179.2	178.4	-174.9	0	112.5	R459 E460 E461 M466 K467	R459-K463 WeakPolarHBondContact O-CB 3.31Å; R459-K463 VanDerWaalsContact O-CG 3.29Å; R459-K463 WeakPolarHBondContact O-CG 3.4Å; R459-K463 PolarHBondContact O-N 2.75Å; R459-K463 VanDerWaalsContact O-N 3.1Å; E460-K463 PolarHBondContact O-N 3.31Å; E461-K463 VanDerWaalsContact C-N 3.32Å; E461-K463 PolarHBondContact O-N 2.91Å; K463-M466 PolarHBondContact O-N 3.02Å; K463-K467 PolarHBondContact O-N 3.19Å
464	K	87.3	Confident	79.3	Confident	164 Å²	164	130.1 Å²	130.1	71%	0.713	59%	0.591	S	S	*	*	H	α-helix	trans	-65.5	-47.3	177	-142.2	175.9	-175.8	-176.6	0	110.7	E460 E461 S462 M466 K467 E468	E460-K464 WeakPolarHBondContact O-CB 3.32Å; E460-K464 PolarHBondContact O-N 3.03Å; E461-K464 WeakPolarHBondContact O-CA 3.27Å; E461-K464 WeakPolarHBondContact O-CB 3.35Å; E461-K464 PolarHBondContact O-N 3.07Å; S462-K464 VanDerWaalsContact C-N 3.33Å; S462-K464 PolarHBondContact O-N 3.39Å; K464-M466 VanDerWaalsContact C-N 3.33Å; K464-M466 PolarHBondContact O-N 3.42Å; K464-K467 PolarHBondContact O-N 3.45Å; K464-E468 WeakPolarHBondContact O-CB 3.3Å; K464-E468 PolarHBondContact O-N 3.27Å
465	I	86.4	Confident	79.6	Confident	92 Å²	92	132.6 Å²	132.6	47%	0.472	60%	0.596	S	S	.	*	H	α-helix	trans	-61.2	-41.2	176.4	-65.1	163.5	0	0	0	111.1	E461 S462 E468 K469	E461-I465 WeakPolarHBondContact O-CG1 3.47Å; E461-I465 PolarHBondContact O-N 3.22Å; S462-I465 PolarHBondContact O-N 2.95Å; I465-E468 PolarHBondContact O-N 2.98Å; I465-K469 PolarHBondContact O-N 2.97Å
466	M	80.4	Confident	80	Confident	130 Å²	130	138.5 Å²	138.5	64%	0.64	62%	0.621	S	S	*	*	H	α-helix	trans	-66.4	-39.1	176.8	-77	-69.3	-77.7	0	0	112.6	S462 K463 K464 K470	S462-M466 WeakPolarHBondContact O-CB 3.46Å; S462-M466 WeakPolarHBondContact O-CG 3.1Å; S462-M466 PolarHBondContact O-N 3.29Å; K463-M466 PolarHBondContact O-N 3.02Å; K464-M466 VanDerWaalsContact C-N 3.33Å; K464-M466 PolarHBondContact O-N 3.42Å; M466-K470 WeakPolarHBondContact O-CB 3.42Å; M466-K470 PolarHBondContact O-N 2.9Å
467	K	84.1	Confident	80.1	Confident	164 Å²	164	139.3 Å²	139.3	71%	0.713	63%	0.625	S	S	*	*	H	α-helix	trans	-63.8	-41.5	173	-85.1	-174.2	175	-175.3	0	111.7	K463 K464 K470 A471	K463-K467 PolarHBondContact O-N 3.19Å; K464-K467 PolarHBondContact O-N 3.45Å; K467-K470 PolarHBondContact O-N 3.13Å; K467-A471 PolarHBondContact O-N 3.16Å
468	E	84.7	Confident	80.2	Confident	117 Å²	117	137.6 Å²	137.6	55%	0.547	63%	0.625	S	S	.	*	H	α-helix	trans	-68.1	-39.8	180	-155.4	177.1	179.8	0	0	111.9	K464 I465 K470 A471 K472	K464-E468 WeakPolarHBondContact O-CB 3.3Å; K464-E468 PolarHBondContact O-N 3.27Å; I465-E468 PolarHBondContact O-N 2.98Å; E468-K470 VanDerWaalsContact C-N 3.32Å; E468-K470 PolarHBondContact O-N 2.73Å; E468-A471 PolarHBondContact O-N 2.74Å; E468-K472 PolarHBondContact O-N 2.72Å; E468-K472 VanDerWaalsContact O-N 3.07Å
469	K	82.7	Confident	80.3	Confident	140 Å²	140	135.3 Å²	135.3	61%	0.609	62%	0.624	S	S	*	*	H	α-helix	trans	-63.4	-35.9	170.6	-79.6	-175.3	176.4	-178.9	0	112.9	I465 A471 K472 R473	I465-K469 PolarHBondContact O-N 2.97Å; K469-A471 VanDerWaalsContact C-N 3.33Å; K469-K472 PolarHBondContact O-N 2.96Å; K469-R473 PolarHBondContact O-N 3.28Å
470	K	78.3	Confident	80.4	Confident	169 Å²	169	138.1 Å²	138.1	74%	0.735	64%	0.642	S	S	*	*	H	α-helix	trans	-74.3	-23	176.5	-166.5	175	-179.3	-179.5	0	112.8	M466 K467 E468 R473	M466-K470 WeakPolarHBondContact O-CB 3.42Å; M466-K470 PolarHBondContact O-N 2.9Å; K467-K470 PolarHBondContact O-N 3.13Å; E468-K470 VanDerWaalsContact C-N 3.32Å; E468-K470 PolarHBondContact O-N 2.73Å; K470-R473 VanDerWaalsContact O-OXT 3.05Å
471	A	75	Confident	80.2	Confident	85 Å²	85	140.2 Å²	140.2	70%	0.702	65%	0.652	S	S	*	*	H	α-helix	trans	-85.1	-20.8	173.9	0	0	0	0	0	113.1	K467 E468 K469	K467-A471 PolarHBondContact O-N 3.16Å; E468-A471 PolarHBondContact O-N 2.74Å; K469-A471 VanDerWaalsContact C-N 3.33Å
472	K	72.4	Confident	80	Confident	175 Å²	175	142.2 Å²	142.2	76%	0.761	66%	0.661	S	S	*	*	H	α-helix	trans	-87.7	-14.6	174.1	-78.4	-177.3	176.9	176.4	0	114.1	E468 K469	E468-K472 PolarHBondContact O-N 2.72Å; E468-K472 VanDerWaalsContact O-N 3.07Å; K469-K472 PolarHBondContact O-N 2.96Å
473	R	59.1	Low	79.6	Confident	278 Å²	278	149.8 Å²	149.8	100%	1.049	68%	0.684	S	S	*	*			trans	-94.1	0	167	-88.1	-176.2	163.3	-172.2	-4.6	108.5	K469 K470	K469-R473 PolarHBondContact O-N 3.28Å; K470-R473 VanDerWaalsContact O-OXT 3.05Å

Retrieved 473 of 473 residues in 155.7 ms (Link to these results)

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