A0A5K4FAU9_SCHMA Loading...

SET domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FAU9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 686 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	42.2	Very low	31	Very low	122 Å²	122	138.1 Å²	138.1	60%	0.601	69%	0.689	S	S	*	*				0	-4.6	0	-69	-154.5	-162.4	0	0	114.1	M103 K108 F405	M1-M103 HydrophobicContact CE-CE 4.32Å; M1-M103 HydrophobicContact CE-SD 4.38Å; M1-M103 HydrophobicContact SD-CE 4.13Å; M1-K108 PolarHBondContact O-NZ 3.19Å; M1-F405 HydrophobicContact CE-CD1 3.64Å; M1-F405 HydrophobicContact CE-CD2 3.36Å; M1-F405 HydrophobicContact CE-CE1 3.51Å; M1-F405 HydrophobicContact CE-CE2 3.2Å; M1-F405 HydrophobicContact CE-CG 3.57Å; M1-F405 HydrophobicContact CE-CZ 3.3Å; M1-F405 HydrophobicContact SD-CD2 3.79Å; M1-F405 HydrophobicContact SD-CE2 3.57Å; M1-F405 VanDerWaalsContact SD-CE2 3.57Å; M1-F405 HydrophobicContact SD-CZ 4.17Å
2	D	30.1	Very low	30.9	Very low	78 Å²	78	136.1 Å²	136.1	42%	0.417	70%	0.698	S	S	.	*			trans	-112	8.2	-175	-81.5	-8.4	0	0	0	114.6	K108	D2-K108 VanDerWaalsContact OD1-CE 3.24Å; D2-K108 WeakPolarHBondContact OD1-CE 3.46Å; D2-K108 IonicContact OD1-NZ 2.91Å
3	T	30.7	Very low	30.6	Very low	123 Å²	123	135.1 Å²	135.1	76%	0.755	70%	0.702	S	S	*	*	S	Bend	trans	-90.9	-12	-177.3	48.6	0	0	0	0	114.9
4	D	32.6	Very low	30.7	Very low	147 Å²	147	137.6 Å²	137.6	79%	0.786	71%	0.709	S	S	*	*			trans	-107	47.1	-171.2	-61.7	-3.7	0	0	0	112.8
5	I	35.4	Very low	31	Very low	63 Å²	63	133.7 Å²	133.7	32%	0.323	70%	0.699	S	S	.	*			trans	-109.6	67.6	165.1	-49.6	177.7	0	0	0	107.6
6	D	29.9	Very low	31.9	Very low	154 Å²	154	133.2 Å²	133.2	82%	0.824	70%	0.697	S	S	*	*			trans	-80.3	119.6	167.1	-97	-25.1	0	0	0	109.3	H8	D6-H8 PolarHBondContact O-N 3.15Å; D6-H8 VanDerWaalsContact O-N 3.08Å
7	H	33.1	Very low	33.6	Very low	141 Å²	141	133.6 Å²	133.6	65%	0.653	69%	0.694	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	8	-168.4	-85.5	-61.9	0	0	0	116
8	H	27.4	Very low	35.9	Very low	168 Å²	168	128.6 Å²	128.6	78%	0.778	67%	0.67	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.2	4.5	-164.4	-81.3	-57.3	0	0	0	119	D6	D6-H8 PolarHBondContact O-N 3.15Å; D6-H8 VanDerWaalsContact O-N 3.08Å
9	H	25.8	Very low	38.4	Very low	182 Å²	182	123.1 Å²	123.1	84%	0.843	64%	0.644	S	S	*	*			trans	-137.3	77.6	176.7	-75.5	-66.8	0	0	0	113.9
10	I	28.5	Very low	40.9	Very low	146 Å²	146	120.6 Å²	120.6	75%	0.749	63%	0.634	S	S	*	*			trans	-132.6	82.6	160.6	-52.4	178	0	0	0	108.5
11	K	24.8	Very low	43.4	Very low	195 Å²	195	117.9 Å²	117.9	85%	0.848	62%	0.62	S	S	*	*	S	Bend	trans	-103.4	109.8	156.4	-80.5	-174.1	176.1	-178.2	0	106.6	T13	K11-T13 PolarHBondContact O-N 3.1Å
12	S	30.1	Very low	45.9	Very low	114 Å²	114	112.2 Å²	112.2	80%	0.797	59%	0.592	S	S	*	*	S	Bend	trans	35.6	72.9	158.4	65.2	0	0	0	0	116.9
13	T	26.9	Very low	48.9	Very low	123 Å²	123	112 Å²	112	76%	0.755	59%	0.593	S	S	*	*	S	Bend	trans	-139.4	133.7	141.4	39.3	0	0	0	0	104.9	K11 S15	K11-T13 PolarHBondContact O-N 3.1Å; T13-S15 PolarHBondContact O-N 3.2Å
14	E	31.8	Very low	52	Low	170 Å²	170	112.3 Å²	112.3	79%	0.794	58%	0.584	S	S	*	*			trans	-36.1	123.4	-176	-66.1	168.3	159.2	0	0	111.1	N16	E14-N16 PolarHBondContact O-N 3.17Å
15	S	35.4	Very low	55	Low	80 Å²	80	106 Å²	106	56%	0.559	55%	0.551	S	S	*	*			trans	-64.8	76.1	178.6	59.4	0	0	0	0	109.6	T13 H17	T13-S15 PolarHBondContact O-N 3.2Å; S15-H17 PolarHBondContact O-CD2 3.32Å; S15-H17 PolarHBondContact O-N 3.03Å
16	N	45.5	Very low	58	Low	125 Å²	125	103.4 Å²	103.4	67%	0.668	54%	0.537	S	S	*	.			trans	-73.9	85.3	173.6	-82.3	-23.5	0	0	0	107.2	E14 V18	E14-N16 PolarHBondContact O-N 3.17Å; N16-V18 PolarHBondContact O-N 2.88Å
17	H	60.5	Low	61.2	Low	141 Å²	141	98.4 Å²	98.4	65%	0.653	51%	0.514	S	S	*	.			trans	-65.5	18.8	172.3	-68.3	-62.7	0	0	0	113.2	S15 Y112	S15-H17 PolarHBondContact O-CD2 3.32Å; S15-H17 PolarHBondContact O-N 3.03Å; H17-Y112 PolarHBondContact CE1-OH 3.23Å
18	V	74.7	Confident	64.2	Low	42 Å²	42	96.6 Å²	96.6	26%	0.255	51%	0.507	S	S	.	.	S	Bend	trans	-101	135.7	-176.2	176	0	0	0	0	109	N16 T20 P336 N408	N16-V18 PolarHBondContact O-N 2.88Å; V18-T20 PolarHBondContact O-N 3.48Å; V18-P336 HydrophobicContact CG2-CB 3.59Å; V18-P336 HydrophobicContact CG2-CG 3.69Å; V18-N408 VanDerWaalsContact CG1-C 3.45Å; V18-N408 HydrophobicContact CG1-CB 3.8Å; V18-N408 WeakPolarHBondContact CG1-O 3.35Å
19	S	83.8	Confident	67.6	Low	25 Å²	25	88.6 Å²	88.6	18%	0.175	47%	0.47	C	S	.	.			trans	-55.8	138.4	174.1	179.4	0	0	0	0	111.2	L21 F405 S409	S19-L21 VanDerWaalsContact OG-CB 3.26Å; S19-L21 WeakPolarHBondContact OG-CB 3.47Å; S19-L21 PolarHBondContact OG-N 3.37Å; S19-F405 WeakPolarHBondContact OG-CE2 3.16Å; S19-F405 WeakPolarHBondContact OG-CZ 3.47Å; S19-S409 WeakPolarHBondContact O-CA 3.37Å; S19-S409 WeakPolarHBondContact O-CB 3.42Å
20	T	89.4	Confident	71	Confident	73 Å²	73	80.6 Å²	80.6	45%	0.448	43%	0.433	S	S	.	.			trans	-101.6	13	171	51.2	0	0	0	0	112	V18 W22 T23 K24	V18-T20 PolarHBondContact O-N 3.48Å; T20-W22 PolarHBondContact O-N 3.32Å; T20-T23 PolarHBondContact O-N 3.46Å; T20-K24 WeakPolarHBondContact O-CB 3.28Å; T20-K24 WeakPolarHBondContact O-CG 3.45Å; T20-K24 PolarHBondContact O-N 3.02Å; T20-K24 VanDerWaalsContact OG1-CE 3.28Å; T20-K24 WeakPolarHBondContact OG1-CE 3.29Å; T20-K24 PolarHBondContact OG1-NZ 2.83Å
21	L	92	Very high	74.3	Confident	64 Å²	64	78.1 Å²	78.1	34%	0.335	42%	0.422	S	S	.	.	H	α-helix	trans	-55	-52.3	-173.4	176.8	63.8	0	0	0	111.9	S19 K24 L25 F92 F405	S19-L21 VanDerWaalsContact OG-CB 3.26Å; S19-L21 WeakPolarHBondContact OG-CB 3.47Å; S19-L21 PolarHBondContact OG-N 3.37Å; L21-K24 PolarHBondContact O-N 3.13Å; L21-L25 WeakPolarHBondContact O-CB 3.48Å; L21-L25 PolarHBondContact O-N 3.16Å; L21-F92 HydrophobicContact CD2-CE1 3.95Å; L21-F405 HydrophobicContact CD2-CE1 3.74Å; L21-F405 HydrophobicContact CD2-CZ 4.4Å
22	W	95.8	Very high	77.8	Confident	3 Å²	3	73.8 Å²	73.8	1%	0.011	40%	0.401	C	S	.	.	H	α-helix	trans	-67.2	-45.5	-175.7	-175.6	-118.4	0	0	0	112.7	T20 K24 L25 I26 L86 I89 L406 S409 M410 L463 T464 W466 L467	T20-W22 PolarHBondContact O-N 3.32Å; W22-K24 VanDerWaalsContact C-N 3.31Å; W22-K24 PolarHBondContact O-N 2.84Å; W22-L25 HydrophobicContact CE3-CB 4.42Å; W22-L25 HydrophobicContact CE3-CD2 3.96Å; W22-L25 HydrophobicContact CZ3-CD2 3.79Å; W22-L25 HydrophobicContact CZ3-CG 4.5Å; W22-L25 PolarHBondContact O-N 3.01Å; W22-L25 VanDerWaalsContact O-N 3.14Å; W22-I26 HydrophobicContact CD2-CD1 4.15Å; W22-I26 HydrophobicContact CD2-CG1 4.27Å; W22-I26 VanDerWaalsContact CE2-CD1 3.45Å; W22-I26 HydrophobicContact CG-CD1 4.23Å; W22-I26 HydrophobicContact CZ2-CD1 3.88Å; W22-I26 HydrophobicContact CZ2-CG1 3.93Å; W22-I26 PolarHBondContact O-N 3.03Å; W22-L86 HydrophobicContact CH2-CD1 3.96Å; W22-L86 HydrophobicContact CZ3-CD1 3.92Å; W22-I89 HydrophobicContact CZ3-CG1 4.36Å; W22-L406 HydrophobicContact CB-CD1 4.25Å; W22-S409 WeakPolarHBondContact CB-OG 3.48Å; W22-S409 PolarHBondContact N-OG 3.48Å; W22-M410 HydrophobicContact CB-CG 4.24Å; W22-M410 HydrophobicContact CG-CG 3.94Å; W22-L463 HydrophobicContact CH2-CB 4.37Å; W22-L463 HydrophobicContact CZ2-CB 4.03Å; W22-L463 WeakPolarHBondContact CZ2-O 3.35Å; W22-T464 PolarHBondContact NE1-OG1 3.36Å; W22-W466 HydrophobicContact CH2-CE3 4.47Å; W22-W466 HydrophobicContact CH2-CZ3 4.32Å; W22-L467 HydrophobicContact CD2-CD2 3.43Å; W22-L467 VanDerWaalsContact CD2-CD2 3.43Å; W22-L467 HydrophobicContact CE3-CD2 3.33Å; W22-L467 HydrophobicContact CG-CD2 4.21Å; W22-L467 HydrophobicContact CH2-CB 3.67Å; W22-L467 HydrophobicContact CH2-CD2 3.64Å; W22-L467 HydrophobicContact CH2-CG 4.15Å; W22-L467 HydrophobicContact CZ2-CB 3.71Å; W22-L467 HydrophobicContact CZ2-CD2 3.72Å; W22-L467 HydrophobicContact CZ2-CG 4.32Å; W22-L467 HydrophobicContact CZ3-CB 4.29Å; W22-L467 HydrophobicContact CZ3-CD1 4.48Å; W22-L467 HydrophobicContact CZ3-CD2 3.43Å; W22-L467 VanDerWaalsContact CZ3-CD2 3.43Å; W22-L467 HydrophobicContact CZ3-CG 4.26Å
23	T	93.2	Very high	81	Confident	74 Å²	74	68.3 Å²	68.3	45%	0.454	36%	0.363	S	S	.	.	H	α-helix	trans	-57.4	-45.2	176	-44.2	0	0	0	0	111.4	T20 L25 I26 S27 S409	T20-T23 PolarHBondContact O-N 3.46Å; T23-L25 VanDerWaalsContact C-N 3.34Å; T23-L25 PolarHBondContact O-N 2.99Å; T23-I26 PolarHBondContact O-N 2.79Å; T23-S27 PolarHBondContact O-N 3.38Å; T23-S27 PolarHBondContact O-OG 2.81Å; T23-S409 PolarHBondContact OG1-O 3.28Å
24	K	94.6	Very high	84.4	Confident	128 Å²	128	66.1 Å²	66.1	56%	0.557	34%	0.344	S	S	*	.	H	α-helix	trans	-61.8	-42.5	176.8	-74.8	175.4	177	173.5	0	112	T20 L21 W22 S27 M28	T20-K24 WeakPolarHBondContact O-CB 3.28Å; T20-K24 WeakPolarHBondContact O-CG 3.45Å; T20-K24 PolarHBondContact O-N 3.02Å; T20-K24 VanDerWaalsContact OG1-CE 3.28Å; T20-K24 WeakPolarHBondContact OG1-CE 3.29Å; T20-K24 PolarHBondContact OG1-NZ 2.83Å; L21-K24 PolarHBondContact O-N 3.13Å; W22-K24 VanDerWaalsContact C-N 3.31Å; W22-K24 PolarHBondContact O-N 2.84Å; K24-S27 PolarHBondContact O-N 3.27Å; K24-M28 WeakPolarHBondContact O-CB 3.5Å; K24-M28 VanDerWaalsContact O-CG 3.27Å; K24-M28 WeakPolarHBondContact O-CG 3.44Å; K24-M28 PolarHBondContact O-N 3.12Å
25	L	96.7	Very high	87.5	Confident	16 Å²	16	66.7 Å²	66.7	8%	0.084	34%	0.343	C	S	.	.	H	α-helix	trans	-64.3	-43.7	-179.8	-170.5	59	0	0	0	111.8	L21 W22 T23 M28 E29 D85 L86 I89	L21-L25 WeakPolarHBondContact O-CB 3.48Å; L21-L25 PolarHBondContact O-N 3.16Å; W22-L25 HydrophobicContact CE3-CB 4.42Å; W22-L25 HydrophobicContact CE3-CD2 3.96Å; W22-L25 HydrophobicContact CZ3-CD2 3.79Å; W22-L25 HydrophobicContact CZ3-CG 4.5Å; W22-L25 PolarHBondContact O-N 3.01Å; W22-L25 VanDerWaalsContact O-N 3.14Å; T23-L25 VanDerWaalsContact C-N 3.34Å; T23-L25 PolarHBondContact O-N 2.99Å; L25-M28 PolarHBondContact O-N 3.02Å; L25-E29 WeakPolarHBondContact O-CB 3.15Å; L25-E29 PolarHBondContact O-N 2.81Å; L25-D85 HydrophobicContact CD1-CB 3.97Å; L25-L86 HydrophobicContact CD2-CD1 3.97Å; L25-L86 HydrophobicContact CG-CD1 4.14Å; L25-I89 HydrophobicContact CD2-CB 4.34Å; L25-I89 HydrophobicContact CD2-CD1 4.14Å; L25-I89 HydrophobicContact CD2-CG1 4.48Å
26	I	97.5	Very high	90.4	Very high	7 Å²	7	66.1 Å²	66.1	4%	0.036	33%	0.334	C	S	.	.	H	α-helix	trans	-59.4	-51	173.2	-71.9	170.9	0	0	0	110.7	W22 T23 M28 E29 L30 E460 L463	W22-I26 HydrophobicContact CD2-CD1 4.15Å; W22-I26 HydrophobicContact CD2-CG1 4.27Å; W22-I26 VanDerWaalsContact CE2-CD1 3.45Å; W22-I26 HydrophobicContact CG-CD1 4.23Å; W22-I26 HydrophobicContact CZ2-CD1 3.88Å; W22-I26 HydrophobicContact CZ2-CG1 3.93Å; W22-I26 PolarHBondContact O-N 3.03Å; T23-I26 PolarHBondContact O-N 2.79Å; I26-M28 VanDerWaalsContact C-N 3.27Å; I26-M28 PolarHBondContact O-N 2.53Å; I26-E29 PolarHBondContact O-N 3.01Å; I26-E29 VanDerWaalsContact O-N 3.1Å; I26-L30 WeakPolarHBondContact O-CB 3.3Å; I26-L30 PolarHBondContact O-N 2.79Å; I26-E460 HydrophobicContact CD1-CB 4.49Å; I26-E460 HydrophobicContact CG2-CB 3.79Å; I26-E460 HydrophobicContact CG2-CG 3.45Å; I26-E460 VanDerWaalsContact CG2-CG 3.45Å; I26-L463 HydrophobicContact CG1-CB 4.39Å; I26-L463 HydrophobicContact CG1-CD1 4.1Å; I26-L463 HydrophobicContact CG2-CD1 4.48Å
27	S	97	Very high	92.8	Very high	49 Å²	49	69.4 Å²	69.4	34%	0.343	34%	0.337	S	S	.	.	H	α-helix	trans	-61.4	-37.2	-178.1	-57.7	0	0	0	0	112	T23 K24 N31	T23-S27 PolarHBondContact O-N 3.38Å; T23-S27 PolarHBondContact O-OG 2.81Å; K24-S27 PolarHBondContact O-N 3.27Å; S27-N31 VanDerWaalsContact O-CB 3.31Å; S27-N31 WeakPolarHBondContact O-CB 3.19Å; S27-N31 VanDerWaalsContact O-CG 3.23Å; S27-N31 PolarHBondContact O-N 2.94Å; S27-N31 VanDerWaalsContact O-N 3.08Å; S27-N31 PolarHBondContact O-ND2 3.23Å
28	M	97.6	Very high	94.5	Very high	103 Å²	103	70.5 Å²	70.5	51%	0.507	34%	0.343	S	S	.	.	H	α-helix	trans	-64.4	-44.4	174	-73.6	173.3	61.2	0	0	111.7	K24 L25 I26 N31 Y32	K24-M28 WeakPolarHBondContact O-CB 3.5Å; K24-M28 VanDerWaalsContact O-CG 3.27Å; K24-M28 WeakPolarHBondContact O-CG 3.44Å; K24-M28 PolarHBondContact O-N 3.12Å; L25-M28 PolarHBondContact O-N 3.02Å; I26-M28 VanDerWaalsContact C-N 3.27Å; I26-M28 PolarHBondContact O-N 2.53Å; M28-N31 PolarHBondContact O-N 3.31Å; M28-Y32 PolarHBondContact O-N 3.08Å
29	E	98.2	Very high	95.5	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-65.5	-46.1	179.4	-164.7	70.1	-167.8	0	0	112	L25 I26 N31 Y32 V33 Y77 A82 T83 L86 F459 L463	L25-E29 WeakPolarHBondContact O-CB 3.15Å; L25-E29 PolarHBondContact O-N 2.81Å; I26-E29 PolarHBondContact O-N 3.01Å; I26-E29 VanDerWaalsContact O-N 3.1Å; E29-N31 VanDerWaalsContact C-N 3.31Å; E29-N31 PolarHBondContact O-N 2.9Å; E29-Y32 WeakPolarHBondContact O-CA 3.36Å; E29-Y32 WeakPolarHBondContact O-CB 3.5Å; E29-Y32 PolarHBondContact O-N 3.04Å; E29-Y32 VanDerWaalsContact O-N 3.08Å; E29-V33 WeakPolarHBondContact O-CG2 3.41Å; E29-V33 PolarHBondContact O-N 2.93Å; E29-Y77 HydrophobicContact CG-CE1 4.22Å; E29-Y77 WeakPolarHBondContact OE1-CE1 3.22Å; E29-Y77 VanDerWaalsContact OE1-CZ 3.3Å; E29-Y77 PolarHBondContact OE1-OH 2.9Å; E29-A82 VanDerWaalsContact OE1-CA 3.26Å; E29-A82 WeakPolarHBondContact OE1-CA 3.44Å; E29-A82 WeakPolarHBondContact OE1-CB 3.39Å; E29-T83 PolarHBondContact OE1-N 3.37Å; E29-T83 VanDerWaalsContact OE2-CB 3.26Å; E29-T83 WeakPolarHBondContact OE2-CB 3.23Å; E29-T83 WeakPolarHBondContact OE2-CG2 3.36Å; E29-T83 PolarHBondContact OE2-OG1 2.94Å; E29-L86 HydrophobicContact CG-CD2 3.87Å; E29-F459 HydrophobicContact CB-CE1 4.38Å; E29-F459 HydrophobicContact CG-CE1 4.18Å; E29-F459 HydrophobicContact CG-CZ 3.97Å; E29-L463 HydrophobicContact CB-CD1 4.23Å; E29-L463 HydrophobicContact CG-CD1 4.22Å
30	L	98	Very high	96.1	Very high	14 Å²	14	69.4 Å²	69.4	7%	0.073	34%	0.335	C	S	.	.	H	α-helix	trans	-61.3	-41.7	177.8	179.8	62.7	0	0	0	111.2	I26 Y32 V33 H34 L44 D456 F459	I26-L30 WeakPolarHBondContact O-CB 3.3Å; I26-L30 PolarHBondContact O-N 2.79Å; L30-Y32 VanDerWaalsContact C-N 3.3Å; L30-Y32 PolarHBondContact O-N 3.41Å; L30-V33 PolarHBondContact O-N 3.08Å; L30-H34 PolarHBondContact O-CD2 2.88Å; L30-H34 PolarHBondContact O-N 3.08Å; L30-L44 HydrophobicContact CD1-CD1 4.22Å; L30-D456 HydrophobicContact CD1-CB 4.28Å; L30-D456 HydrophobicContact CD2-CB 3.83Å; L30-F459 HydrophobicContact CB-CD1 4.15Å; L30-F459 HydrophobicContact CB-CE1 4.13Å; L30-F459 HydrophobicContact CD1-CB 4.4Å; L30-F459 HydrophobicContact CD1-CD1 3.78Å; L30-F459 HydrophobicContact CD1-CE1 4.32Å; L30-F459 HydrophobicContact CD1-CG 4.2Å
31	N	98	Very high	96.4	Very high	94 Å²	94	71.2 Å²	71.2	50%	0.503	34%	0.341	S	S	.	.	H	α-helix	trans	-62.2	-36.9	173.9	-80.6	-44.7	0	0	0	112.6	S27 M28 E29 K35	S27-N31 VanDerWaalsContact O-CB 3.31Å; S27-N31 WeakPolarHBondContact O-CB 3.19Å; S27-N31 VanDerWaalsContact O-CG 3.23Å; S27-N31 PolarHBondContact O-N 2.94Å; S27-N31 VanDerWaalsContact O-N 3.08Å; S27-N31 PolarHBondContact O-ND2 3.23Å; M28-N31 PolarHBondContact O-N 3.31Å; E29-N31 VanDerWaalsContact C-N 3.31Å; E29-N31 PolarHBondContact O-N 2.9Å; N31-K35 VanDerWaalsContact O-CG 3.3Å; N31-K35 WeakPolarHBondContact O-CG 3.49Å; N31-K35 PolarHBondContact O-N 3.42Å; N31-K35 VanDerWaalsContact O-N 3.16Å
32	Y	97.5	Very high	96.6	Very high	104 Å²	104	73.6 Å²	73.6	41%	0.408	35%	0.351	S	S	.	.	H	α-helix	trans	-64.8	-44.7	174	171.5	-98.5	0	0	0	111.4	M28 E29 L30 H34 K35 N36 L39 Y77 T83	M28-Y32 PolarHBondContact O-N 3.08Å; E29-Y32 WeakPolarHBondContact O-CA 3.36Å; E29-Y32 WeakPolarHBondContact O-CB 3.5Å; E29-Y32 PolarHBondContact O-N 3.04Å; E29-Y32 VanDerWaalsContact O-N 3.08Å; L30-Y32 VanDerWaalsContact C-N 3.3Å; L30-Y32 PolarHBondContact O-N 3.41Å; Y32-H34 PolarHBondContact O-N 3.41Å; Y32-K35 PolarHBondContact O-N 3.45Å; Y32-N36 PolarHBondContact O-N 3.32Å; Y32-L39 HydrophobicContact CE1-CD2 4.11Å; Y32-Y77 WeakPolarHBondContact CD1-OH 3.41Å; Y32-T83 HydrophobicContact CD1-CG2 3.62Å; Y32-T83 HydrophobicContact CD2-CG2 3.96Å; Y32-T83 HydrophobicContact CE1-CG2 4.07Å; Y32-T83 HydrophobicContact CE2-CG2 4.39Å; Y32-T83 HydrophobicContact CG-CG2 3.55Å
33	V	97.9	Very high	96.6	Very high	0 Å²	0	73.5 Å²	73.5	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-58.5	-48	175.4	171.7	0	0	0	0	111.2	E29 L30 K35 N36 L39 L43 L44 Y77 F459	E29-V33 WeakPolarHBondContact O-CG2 3.41Å; E29-V33 PolarHBondContact O-N 2.93Å; L30-V33 PolarHBondContact O-N 3.08Å; V33-K35 VanDerWaalsContact C-N 3.32Å; V33-K35 PolarHBondContact O-N 2.83Å; V33-N36 CarbonylContact O-C 3.58Å; V33-N36 PolarHBondContact O-N 3.06Å; V33-N36 VanDerWaalsContact O-N 3.13Å; V33-L39 HydrophobicContact CG1-CG 4.38Å; V33-L39 HydrophobicContact CG2-CD2 4.18Å; V33-L43 HydrophobicContact CG1-CD1 4.13Å; V33-L43 HydrophobicContact CG2-CD1 4.11Å; V33-L44 HydrophobicContact CG1-CD1 3.93Å; V33-L44 HydrophobicContact CG1-CD2 4.44Å; V33-L44 HydrophobicContact CG1-CG 4.05Å; V33-Y77 HydrophobicContact CG2-CE1 4.18Å; V33-Y77 HydrophobicContact CG2-CE2 4.33Å; V33-F459 HydrophobicContact CG2-CE2 4.07Å; V33-F459 HydrophobicContact CG2-CZ 3.81Å
34	H	97.7	Very high	96.8	Very high	77 Å²	77	70.9 Å²	70.9	36%	0.356	33%	0.334	S	S	.	.	H	α-helix	trans	-63.5	-32.7	-179.9	-82.2	-50.9	0	0	0	114	L30 Y32 N36 L44 D456	L30-H34 PolarHBondContact O-CD2 2.88Å; L30-H34 PolarHBondContact O-N 3.08Å; Y32-H34 PolarHBondContact O-N 3.41Å; H34-N36 PolarHBondContact O-N 3.49Å; H34-L44 WeakPolarHBondContact CE1-CD1 3.28Å; H34-D456 IonicContact CD2-OD2 3.73Å; H34-D456 IonicContact CE1-OD1 3.65Å; H34-D456 PolarHBondContact CE1-OD1 3.13Å; H34-D456 VanDerWaalsContact CE1-OD1 3.3Å; H34-D456 IonicContact CE1-OD2 3.61Å; H34-D456 VanDerWaalsContact NE2-CG 3.28Å; H34-D456 IonicContact NE2-OD1 2.88Å; H34-D456 PolarHBondContact NE2-OD1 3.3Å; H34-D456 VanDerWaalsContact NE2-OD1 3.13Å; H34-D456 IonicContact NE2-OD2 3.82Å; H34-D456 PolarHBondContact NE2-OD2 3.03Å
35	K	97.2	Very high	96.9	Very high	181 Å²	181	66.2 Å²	66.2	79%	0.787	31%	0.314	S	S	*	.	H	α-helix	trans	-67	-25.6	175.9	-76.8	173.2	-178.4	178.1	0	112.9	N31 Y32 V33	N31-K35 VanDerWaalsContact O-CG 3.3Å; N31-K35 WeakPolarHBondContact O-CG 3.49Å; N31-K35 PolarHBondContact O-N 3.42Å; N31-K35 VanDerWaalsContact O-N 3.16Å; Y32-K35 PolarHBondContact O-N 3.45Å; V33-K35 VanDerWaalsContact C-N 3.32Å; V33-K35 PolarHBondContact O-N 2.83Å
36	N	96.1	Very high	96.8	Very high	69 Å²	69	68.8 Å²	68.8	37%	0.369	33%	0.325	S	S	.	.	S	Bend	trans	-100.2	98	174.6	-177.9	-20.5	0	0	0	110.1	Y32 V33 H34 Q38 L39 S40	Y32-N36 PolarHBondContact O-N 3.32Å; V33-N36 CarbonylContact O-C 3.58Å; V33-N36 PolarHBondContact O-N 3.06Å; V33-N36 VanDerWaalsContact O-N 3.13Å; H34-N36 PolarHBondContact O-N 3.49Å; N36-Q38 VanDerWaalsContact C-N 3.29Å; N36-Q38 PolarHBondContact O-N 2.79Å; N36-Q38 PolarHBondContact OD1-N 3.37Å; N36-L39 HydrophobicContact CB-CB 3.75Å; N36-L39 HydrophobicContact CB-CD2 4.28Å; N36-L39 VanDerWaalsContact CG-CB 3.45Å; N36-L39 WeakPolarHBondContact O-CB 3.24Å; N36-L39 PolarHBondContact O-N 3.07Å; N36-L39 VanDerWaalsContact O-N 3.1Å; N36-L39 PolarHBondContact OD1-N 2.8Å; N36-L39 VanDerWaalsContact OD1-N 3.15Å; N36-S40 WeakPolarHBondContact O-CB 3.34Å; N36-S40 PolarHBondContact O-N 3.02Å
37	R	95.8	Very high	96.7	Very high	194 Å²	194	74.7 Å²	74.7	73%	0.732	35%	0.353	S	S	*	.	H	α-helix	trans	-53.1	-41.6	-177.4	-176.8	-177.7	172.3	101.5	0.3	113.6	L41	R37-L41 HydrophobicContact CG-CD1 4.1Å; R37-L41 WeakPolarHBondContact O-CB 3.45Å; R37-L41 VanDerWaalsContact O-CG 3.28Å; R37-L41 WeakPolarHBondContact O-CG 3.24Å; R37-L41 PolarHBondContact O-N 2.9Å
38	Q	95.6	Very high	96.6	Very high	164 Å²	164	75.7 Å²	75.7	77%	0.766	35%	0.353	S	S	*	.	H	α-helix	trans	-68.5	-42.6	-179.2	-71	-178.6	-15	0	0	111.1	N36 H42	N36-Q38 VanDerWaalsContact C-N 3.29Å; N36-Q38 PolarHBondContact O-N 2.79Å; N36-Q38 PolarHBondContact OD1-N 3.37Å; Q38-H42 WeakPolarHBondContact O-CB 3.45Å; Q38-H42 PolarHBondContact O-N 3.37Å
39	L	95.4	Very high	96.4	Very high	21 Å²	21	73.9 Å²	73.9	11%	0.11	35%	0.346	C	S	.	.	H	α-helix	trans	-64	-46.9	176.2	-174.4	64	0	0	0	111.6	Y32 V33 N36 L41 H42 L43 Y77	Y32-L39 HydrophobicContact CE1-CD2 4.11Å; V33-L39 HydrophobicContact CG1-CG 4.38Å; V33-L39 HydrophobicContact CG2-CD2 4.18Å; N36-L39 HydrophobicContact CB-CB 3.75Å; N36-L39 HydrophobicContact CB-CD2 4.28Å; N36-L39 VanDerWaalsContact CG-CB 3.45Å; N36-L39 WeakPolarHBondContact O-CB 3.24Å; N36-L39 PolarHBondContact O-N 3.07Å; N36-L39 VanDerWaalsContact O-N 3.1Å; N36-L39 PolarHBondContact OD1-N 2.8Å; N36-L39 VanDerWaalsContact OD1-N 3.15Å; L39-L41 PolarHBondContact O-N 3.34Å; L39-H42 PolarHBondContact O-N 3.21Å; L39-H42 VanDerWaalsContact O-N 3.17Å; L39-L43 HydrophobicContact CD1-CD1 3.59Å; L39-L43 HydrophobicContact CD1-CG 3.95Å; L39-L43 HydrophobicContact CD2-CD1 4.5Å; L39-L43 HydrophobicContact CG-CD1 3.75Å; L39-L43 HydrophobicContact CG-CG 4.32Å; L39-L43 WeakPolarHBondContact O-CB 3.11Å; L39-L43 WeakPolarHBondContact O-CG 3.31Å; L39-L43 PolarHBondContact O-N 3.27Å; L39-Y77 HydrophobicContact CD1-CD2 3.85Å; L39-Y77 HydrophobicContact CD1-CE2 3.95Å; L39-Y77 HydrophobicContact CD2-CD2 4.45Å; L39-Y77 HydrophobicContact CD2-CE2 3.71Å; L39-Y77 HydrophobicContact CG-CE2 4.26Å
40	S	96.7	Very high	96.1	Very high	23 Å²	23	80 Å²	80	16%	0.161	37%	0.374	C	S	.	.	H	α-helix	trans	-56.4	-49.9	175.7	174.5	0	0	0	0	111.4	N36 H42 L43 L44	N36-S40 WeakPolarHBondContact O-CB 3.34Å; N36-S40 PolarHBondContact O-N 3.02Å; S40-H42 VanDerWaalsContact C-N 3.29Å; S40-H42 PolarHBondContact O-N 3.12Å; S40-L43 PolarHBondContact O-N 3.39Å; S40-L44 WeakPolarHBondContact O-CA 3.44Å; S40-L44 VanDerWaalsContact O-CB 3.29Å; S40-L44 WeakPolarHBondContact O-CB 3.01Å; S40-L44 PolarHBondContact O-N 3.26Å
41	L	96.3	Very high	96	Very high	110 Å²	110	81.2 Å²	81.2	58%	0.576	38%	0.384	S	S	*	.	H	α-helix	trans	-61.6	-35.8	177.1	-72.9	171	0	0	0	112.9	R37 L39 N45	R37-L41 HydrophobicContact CG-CD1 4.1Å; R37-L41 WeakPolarHBondContact O-CB 3.45Å; R37-L41 VanDerWaalsContact O-CG 3.28Å; R37-L41 WeakPolarHBondContact O-CG 3.24Å; R37-L41 PolarHBondContact O-N 2.9Å; L39-L41 PolarHBondContact O-N 3.34Å; L41-N45 PolarHBondContact O-ND2 2.96Å
42	H	95	Very high	95.9	Very high	114 Å²	114	83.2 Å²	83.2	53%	0.528	39%	0.394	S	S	.	.	H	α-helix	trans	-73.9	-39.8	179.8	178.7	66.5	0	0	0	113.2	Q38 L39 S40 N45	Q38-H42 WeakPolarHBondContact O-CB 3.45Å; Q38-H42 PolarHBondContact O-N 3.37Å; L39-H42 PolarHBondContact O-N 3.21Å; L39-H42 VanDerWaalsContact O-N 3.17Å; S40-H42 VanDerWaalsContact C-N 3.29Å; S40-H42 PolarHBondContact O-N 3.12Å; H42-N45 PolarHBondContact O-ND2 3.49Å
43	L	96.4	Very high	95.8	Very high	2 Å²	2	83.6 Å²	83.6	1%	0.01	40%	0.398	C	S	.	.	H	α-helix	trans	-90.1	-45.5	-175.3	-62.2	-179.6	0	0	0	113.1	V33 L39 S40 N45 I74 Y77 F459	V33-L43 HydrophobicContact CG1-CD1 4.13Å; V33-L43 HydrophobicContact CG2-CD1 4.11Å; L39-L43 HydrophobicContact CD1-CD1 3.59Å; L39-L43 HydrophobicContact CD1-CG 3.95Å; L39-L43 HydrophobicContact CD2-CD1 4.5Å; L39-L43 HydrophobicContact CG-CD1 3.75Å; L39-L43 HydrophobicContact CG-CG 4.32Å; L39-L43 WeakPolarHBondContact O-CB 3.11Å; L39-L43 WeakPolarHBondContact O-CG 3.31Å; L39-L43 PolarHBondContact O-N 3.27Å; S40-L43 PolarHBondContact O-N 3.39Å; L43-N45 VanDerWaalsContact C-N 3.26Å; L43-N45 PolarHBondContact O-N 3.23Å; L43-N45 VanDerWaalsContact O-N 3.08Å; L43-I74 HydrophobicContact CB-CD1 4.12Å; L43-I74 HydrophobicContact CD2-CD1 4.3Å; L43-Y77 HydrophobicContact CD1-CD1 4Å; L43-Y77 HydrophobicContact CD1-CD2 3.45Å; L43-Y77 VanDerWaalsContact CD1-CD2 3.45Å; L43-Y77 HydrophobicContact CD1-CE1 4.41Å; L43-Y77 HydrophobicContact CD1-CE2 3.89Å; L43-Y77 HydrophobicContact CD1-CG 3.49Å; L43-Y77 VanDerWaalsContact CD1-CG 3.49Å; L43-Y77 HydrophobicContact CD2-CD2 4.46Å; L43-Y77 HydrophobicContact CD2-CG 4.19Å; L43-Y77 HydrophobicContact CG-CG 4.49Å; L43-F459 HydrophobicContact CD1-CE2 4.45Å
44	L	97.3	Very high	95.8	Very high	19 Å²	19	83.6 Å²	83.6	10%	0.099	40%	0.398	C	S	.	.	S	Bend	trans	-92	52.8	-168.3	-52.8	-176.5	0	0	0	111.4	L30 V33 H34 S40 V455 F459	L30-L44 HydrophobicContact CD1-CD1 4.22Å; V33-L44 HydrophobicContact CG1-CD1 3.93Å; V33-L44 HydrophobicContact CG1-CD2 4.44Å; V33-L44 HydrophobicContact CG1-CG 4.05Å; H34-L44 WeakPolarHBondContact CE1-CD1 3.28Å; S40-L44 WeakPolarHBondContact O-CA 3.44Å; S40-L44 VanDerWaalsContact O-CB 3.29Å; S40-L44 WeakPolarHBondContact O-CB 3.01Å; S40-L44 PolarHBondContact O-N 3.26Å; L44-V455 HydrophobicContact CB-CB 4.1Å; L44-V455 HydrophobicContact CB-CG2 3.93Å; L44-F459 HydrophobicContact CD2-CB 3.78Å; L44-F459 HydrophobicContact CD2-CD2 3.85Å; L44-F459 HydrophobicContact CD2-CG 4.01Å
45	N	96.2	Very high	95.8	Very high	29 Å²	29	83.6 Å²	83.6	16%	0.155	40%	0.397	C	S	.	.	S	Bend	trans	-136.9	158.5	174.4	71.2	70.4	0	0	0	110.9	L41 H42 L43 Q47 F70 R73	L41-N45 PolarHBondContact O-ND2 2.96Å; H42-N45 PolarHBondContact O-ND2 3.49Å; L43-N45 VanDerWaalsContact C-N 3.26Å; L43-N45 PolarHBondContact O-N 3.23Å; L43-N45 VanDerWaalsContact O-N 3.08Å; N45-Q47 WeakPolarHBondContact OD1-CB 3.16Å; N45-Q47 WeakPolarHBondContact OD1-CG 3.48Å; N45-Q47 PolarHBondContact OD1-N 3.24Å; N45-F70 VanDerWaalsContact O-CD2 3.24Å; N45-F70 WeakPolarHBondContact O-CD2 3.33Å; N45-R73 PolarHBondContact O-NH2 3.27Å; N45-R73 PolarHBondContact OD1-NH2 3.46Å
46	K	96.4	Very high	95.8	Very high	71 Å²	71	81.1 Å²	81.1	31%	0.309	39%	0.386	S	S	.	.			trans	-100.1	41.9	-178.9	-62.9	178.2	176.8	174.7	0	112.2	L66 F450 T451 F453 V455 L458	K46-L66 HydrophobicContact CB-CD1 4.34Å; K46-L66 WeakPolarHBondContact O-CD1 3.42Å; K46-F450 HydrophobicContact CB-CE1 4.06Å; K46-F450 HydrophobicContact CD-CE1 4.04Å; K46-F450 HydrophobicContact CG-CE1 3.76Å; K46-F450 HydrophobicContact CG-CZ 4.27Å; K46-F450 PolarHBondContact NZ-O 2.94Å; K46-T451 PolarHBondContact NZ-O 3.13Å; K46-F453 WeakPolarHBondContact CE-O 3.32Å; K46-F453 PolarHBondContact NZ-O 3.35Å; K46-V455 HydrophobicContact CG-CG1 4.16Å; K46-L458 HydrophobicContact CD-CD1 4.46Å; K46-L458 VanDerWaalsContact CE-CD1 3.49Å; K46-L458 HydrophobicContact CG-CD1 4.35Å
47	Q	94.8	Very high	95.7	Very high	131 Å²	131	78 Å²	78	61%	0.612	37%	0.37	S	S	*	.			trans	-83.9	145.2	177	-66	178.3	-9.8	0	0	112.3	N45 S69 R73	N45-Q47 WeakPolarHBondContact OD1-CB 3.16Å; N45-Q47 WeakPolarHBondContact OD1-CG 3.48Å; N45-Q47 PolarHBondContact OD1-N 3.24Å; Q47-S69 PolarHBondContact O-OG 3.2Å; Q47-R73 PolarHBondContact O-NH1 3.39Å; Q47-R73 PolarHBondContact O-NH2 2.96Å; Q47-R73 VanDerWaalsContact O-NH2 3.12Å
48	I	94.8	Very high	95.8	Very high	70 Å²	70	69 Å²	69	36%	0.359	34%	0.337	S	S	.	.			trans	-93.2	127.2	177.4	-53.6	177.7	0	0	0	109.5	E65 L66	I48-E65 HydrophobicContact CG2-CB 4.28Å; I48-L66 HydrophobicContact CD1-CB 4.15Å; I48-L66 HydrophobicContact CD1-CD1 4.25Å; I48-L66 HydrophobicContact CG1-CB 4.01Å; I48-L66 HydrophobicContact CG1-CD1 3.5Å; I48-L66 VanDerWaalsContact CG1-CD1 3.5Å; I48-L66 HydrophobicContact CG1-CG 4.31Å
49	D	92.9	Very high	95.8	Very high	64 Å²	64	66.6 Å²	66.6	34%	0.342	33%	0.328	S	S	.	.			trans	-86.9	115.8	160.7	170.4	17.8	0	0	0	108.9	S51 I54 S69	D49-S51 PolarHBondContact O-N 3.34Å; D49-S51 VanDerWaalsContact OD1-CB 3.24Å; D49-S51 WeakPolarHBondContact OD1-CB 3.35Å; D49-S51 PolarHBondContact OD1-N 3.03Å; D49-S51 PolarHBondContact OD1-OG 3.5Å; D49-S51 PolarHBondContact OD2-OG 3.19Å; D49-I54 HydrophobicContact CB-CG1 4.02Å; D49-I54 WeakPolarHBondContact O-CB 3.45Å; D49-I54 WeakPolarHBondContact OD2-CG1 3.26Å; D49-S69 PolarHBondContact N-OG 3.46Å
50	H	92.8	Very high	95.7	Very high	129 Å²	129	68.5 Å²	68.5	60%	0.597	34%	0.336	S	S	*	.			trans	-80.8	11.2	-178.1	-65	-64.8	0	0	0	114.1
51	S	95.9	Very high	95.5	Very high	40 Å²	40	67.4 Å²	67.4	28%	0.28	33%	0.329	S	S	.	.			trans	-61.4	144.7	178	72.4	0	0	0	0	112.4	D49 K53 I54 K55	D49-S51 PolarHBondContact O-N 3.34Å; D49-S51 VanDerWaalsContact OD1-CB 3.24Å; D49-S51 WeakPolarHBondContact OD1-CB 3.35Å; D49-S51 PolarHBondContact OD1-N 3.03Å; D49-S51 PolarHBondContact OD1-OG 3.5Å; D49-S51 PolarHBondContact OD2-OG 3.19Å; S51-K53 PolarHBondContact O-N 3.13Å; S51-K53 VanDerWaalsContact O-N 3.07Å; S51-I54 PolarHBondContact O-N 3.35Å; S51-I54 WeakPolarHBondContact OG-CG1 3.26Å; S51-K55 PolarHBondContact O-N 2.93Å
52	N	96.1	Very high	95.4	Very high	135 Å²	135	65.8 Å²	65.8	72%	0.722	32%	0.321	S	S	*	.	H	α-helix	trans	-57.6	-26	176.8	-75.4	-16.3	0	0	0	112.8	K56	N52-K56 WeakPolarHBondContact O-CB 3.44Å; N52-K56 PolarHBondContact O-N 3.39Å
53	K	95.4	Very high	95.4	Very high	112 Å²	112	61.5 Å²	61.5	49%	0.487	30%	0.303	S	S	.	.	H	α-helix	trans	-62.7	-46.2	175.3	-175.4	177	-178.3	175.3	0	111.3	S51 K56 L57 Y72	S51-K53 PolarHBondContact O-N 3.13Å; S51-K53 VanDerWaalsContact O-N 3.07Å; K53-K56 PolarHBondContact O-N 3.49Å; K53-L57 WeakPolarHBondContact O-CB 3.25Å; K53-L57 PolarHBondContact O-N 3.4Å; K53-Y72 HydrophobicContact CD-CE2 4.16Å; K53-Y72 VanDerWaalsContact CE-CE2 3.45Å; K53-Y72 PolarHBondContact NZ-OH 3.48Å
54	I	97.4	Very high	95.4	Very high	0 Å²	0	64.5 Å²	64.5	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-66.7	-42	178.8	-65.4	-56.3	0	0	0	111.2	D49 S51 K56 L57 A58 E65 A68 Y72	D49-I54 HydrophobicContact CB-CG1 4.02Å; D49-I54 WeakPolarHBondContact O-CB 3.45Å; D49-I54 WeakPolarHBondContact OD2-CG1 3.26Å; S51-I54 PolarHBondContact O-N 3.35Å; S51-I54 WeakPolarHBondContact OG-CG1 3.26Å; I54-K56 PolarHBondContact O-N 3.35Å; I54-L57 PolarHBondContact O-N 3.11Å; I54-A58 WeakPolarHBondContact O-CB 3.48Å; I54-A58 PolarHBondContact O-N 2.95Å; I54-E65 HydrophobicContact CG2-CB 4.43Å; I54-E65 WeakPolarHBondContact CG2-O 3.16Å; I54-A68 HydrophobicContact CG2-CB 3.93Å; I54-Y72 HydrophobicContact CD1-CD1 3.72Å; I54-Y72 HydrophobicContact CD1-CD2 4.37Å; I54-Y72 HydrophobicContact CD1-CG 3.62Å
55	K	97.1	Very high	95.4	Very high	78 Å²	78	67 Å²	67	34%	0.339	33%	0.333	S	S	.	.	H	α-helix	trans	-58.3	-47.9	176.4	-58.9	-168.4	174.8	176.9	0	112.1	S51 A58 I59 E65	S51-K55 PolarHBondContact O-N 2.93Å; K55-A58 PolarHBondContact O-N 3.49Å; K55-I59 WeakPolarHBondContact O-CG1 3.48Å; K55-I59 PolarHBondContact O-N 3.25Å; K55-I59 VanDerWaalsContact O-N 3.12Å; K55-E65 HydrophobicContact CG-CG 4.34Å; K55-E65 WeakPolarHBondContact CG-OE1 3.49Å
56	K	96.4	Very high	95.5	Very high	128 Å²	128	67.1 Å²	67.1	56%	0.557	33%	0.333	S	S	*	.	H	α-helix	trans	-62.4	-44.9	177.6	-174.9	175.3	178.9	177.6	0	111.4	N52 K53 I54 A58 I59 Q60	N52-K56 WeakPolarHBondContact O-CB 3.44Å; N52-K56 PolarHBondContact O-N 3.39Å; K53-K56 PolarHBondContact O-N 3.49Å; I54-K56 PolarHBondContact O-N 3.35Å; K56-A58 PolarHBondContact O-N 3.44Å; K56-I59 PolarHBondContact O-N 2.53Å; K56-Q60 HydrophobicContact CG-CG 4.33Å; K56-Q60 WeakPolarHBondContact O-CB 3.44Å; K56-Q60 VanDerWaalsContact O-CG 3.24Å; K56-Q60 WeakPolarHBondContact O-CG 3.42Å; K56-Q60 PolarHBondContact O-N 2.86Å
57	L	96.1	Very high	95.6	Very high	5 Å²	5	63.7 Å²	63.7	3%	0.026	32%	0.319	C	S	.	.	H	α-helix	trans	-60.2	-44.5	177.8	176.8	61.9	0	0	0	111.8	K53 I54 Q60 A61 A68 Y72 L492 I493 L496	K53-L57 WeakPolarHBondContact O-CB 3.25Å; K53-L57 PolarHBondContact O-N 3.4Å; I54-L57 PolarHBondContact O-N 3.11Å; L57-Q60 PolarHBondContact O-N 3.5Å; L57-A61 WeakPolarHBondContact O-CB 3.27Å; L57-A61 PolarHBondContact O-N 3Å; L57-A68 HydrophobicContact CD2-CB 4.4Å; L57-A68 HydrophobicContact CG-CB 4.46Å; L57-Y72 HydrophobicContact CD2-CD2 4.45Å; L57-L492 HydrophobicContact CD1-CB 4.44Å; L57-L492 HydrophobicContact CD1-CD2 3.95Å; L57-L492 HydrophobicContact CD1-CG 3.81Å; L57-L492 HydrophobicContact CD2-CD1 4.48Å; L57-L492 HydrophobicContact CD2-CD2 3.78Å; L57-L492 HydrophobicContact CD2-CG 3.91Å; L57-L492 HydrophobicContact CG-CD2 4.46Å; L57-I493 HydrophobicContact CD1-CG1 3.85Å; L57-L496 HydrophobicContact CD1-CD2 4.09Å; L57-L496 HydrophobicContact CD2-CD2 4.09Å; L57-L496 HydrophobicContact CG-CD2 3.61Å
58	A	96.4	Very high	95.7	Very high	4 Å²	4	57.5 Å²	57.5	3%	0.033	29%	0.289	C	S	.	.	H	α-helix	trans	-59.9	-47.6	178.4	0	0	0	0	0	111.8	I54 K55 K56 A61 N62 S63 E65 A68	I54-A58 WeakPolarHBondContact O-CB 3.48Å; I54-A58 PolarHBondContact O-N 2.95Å; K55-A58 PolarHBondContact O-N 3.49Å; K56-A58 PolarHBondContact O-N 3.44Å; A58-A61 PolarHBondContact O-N 3.11Å; A58-N62 PolarHBondContact O-N 3.2Å; A58-N62 VanDerWaalsContact O-N 3.11Å; A58-S63 PolarHBondContact O-N 3.15Å; A58-E65 HydrophobicContact CB-CG 4.35Å; A58-A68 HydrophobicContact CB-CB 3.82Å
59	I	95.1	Very high	95.9	Very high	114 Å²	114	54.2 Å²	54.2	59%	0.585	27%	0.273	S	S	*	.	H	α-helix	trans	-61.3	-48.9	177.3	-65.8	165.9	0	0	0	110.8	K55 K56 A61 N62	K55-I59 WeakPolarHBondContact O-CG1 3.48Å; K55-I59 PolarHBondContact O-N 3.25Å; K55-I59 VanDerWaalsContact O-N 3.12Å; K56-I59 PolarHBondContact O-N 2.53Å; I59-A61 VanDerWaalsContact C-N 3.25Å; I59-A61 PolarHBondContact O-N 2.84Å; I59-N62 PolarHBondContact O-N 3.1Å; I59-N62 VanDerWaalsContact O-N 3.11Å
60	Q	93.7	Very high	96.2	Very high	61 Å²	61	51.1 Å²	51.1	29%	0.285	26%	0.256	S	S	.	.	H	α-helix	trans	-63.4	-30.2	-177.2	-72.4	-178.8	-42.9	0	0	113.4	K56 L57 I493	K56-Q60 HydrophobicContact CG-CG 4.33Å; K56-Q60 WeakPolarHBondContact O-CB 3.44Å; K56-Q60 VanDerWaalsContact O-CG 3.24Å; K56-Q60 WeakPolarHBondContact O-CG 3.42Å; K56-Q60 PolarHBondContact O-N 2.86Å; L57-Q60 PolarHBondContact O-N 3.5Å; Q60-I493 HydrophobicContact CB-CD1 3.9Å; Q60-I493 HydrophobicContact CB-CG1 4Å; Q60-I493 HydrophobicContact CB-CG2 4.31Å; Q60-I493 HydrophobicContact CG-CD1 4.43Å
61	A	93.9	Very high	96.4	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.6	178.1	0	0	0	0	0	114	L57 A58 I59 I493 L496	L57-A61 WeakPolarHBondContact O-CB 3.27Å; L57-A61 PolarHBondContact O-N 3Å; A58-A61 PolarHBondContact O-N 3.11Å; I59-A61 VanDerWaalsContact C-N 3.25Å; I59-A61 PolarHBondContact O-N 2.84Å; A61-I493 HydrophobicContact CB-CG2 4.14Å; A61-L496 HydrophobicContact CB-CB 3.94Å; A61-L496 HydrophobicContact CB-CD2 3.54Å; A61-L496 HydrophobicContact CB-CG 3.66Å
62	N	93.2	Very high	96.5	Very high	76 Å²	76	45.2 Å²	45.2	41%	0.406	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	53.2	-170.6	-161.3	12.6	0	0	0	112.2	A58 I59 D444 R504	A58-N62 PolarHBondContact O-N 3.2Å; A58-N62 VanDerWaalsContact O-N 3.11Å; I59-N62 PolarHBondContact O-N 3.1Å; I59-N62 VanDerWaalsContact O-N 3.11Å; N62-D444 WeakPolarHBondContact ND2-CB 3.32Å; N62-D444 PolarHBondContact ND2-OD2 3.31Å; N62-R504 PolarHBondContact O-NH2 3Å
63	S	95.6	Very high	96.6	Very high	23 Å²	23	40.2 Å²	40.2	16%	0.161	19%	0.194	C	C	.	.			trans	-128.3	174.8	-171.7	-169	0	0	0	0	111.3	A58 D500	A58-S63 PolarHBondContact O-N 3.15Å; S63-D500 WeakPolarHBondContact CA-OD2 3.48Å; S63-D500 WeakPolarHBondContact CB-OD2 3.24Å; S63-D500 PolarHBondContact OG-OD1 2.86Å; S63-D500 PolarHBondContact OG-OD2 3.07Å
64	T	96.1	Very high	96.7	Very high	65 Å²	65	34.9 Å²	34.9	40%	0.399	17%	0.171	S	C	.	.			trans	-92.2	151.1	172.3	66.4	0	0	0	0	111	L66 S67 A68	T64-L66 PolarHBondContact O-N 3.41Å; T64-S67 PolarHBondContact O-N 2.99Å; T64-S67 WeakPolarHBondContact OG1-CB 3.39Å; T64-S67 PolarHBondContact OG1-N 2.96Å; T64-S67 VanDerWaalsContact OG1-N 3.13Å; T64-A68 WeakPolarHBondContact O-CB 3.4Å; T64-A68 PolarHBondContact O-N 3.1Å
65	E	97.3	Very high	96.7	Very high	71 Å²	71	35.6 Å²	35.6	33%	0.332	18%	0.175	S	C	.	.	H	α-helix	trans	-57.2	-33.6	174.5	-66.8	-174.3	-164.9	0	0	112.1	I48 I54 K55 A58 S69	I48-E65 HydrophobicContact CG2-CB 4.28Å; I54-E65 HydrophobicContact CG2-CB 4.43Å; I54-E65 WeakPolarHBondContact CG2-O 3.16Å; K55-E65 HydrophobicContact CG-CG 4.34Å; K55-E65 WeakPolarHBondContact CG-OE1 3.49Å; A58-E65 HydrophobicContact CB-CG 4.35Å; E65-S69 WeakPolarHBondContact O-CB 3.3Å; E65-S69 PolarHBondContact O-N 3.35Å
66	L	97.7	Very high	96.7	Very high	32 Å²	32	34.1 Å²	34.1	17%	0.168	17%	0.171	C	C	.	.	H	α-helix	trans	-67	-47.7	178.1	177.4	61.4	0	0	0	111.9	K46 I48 T64 S69 F70 F450 T451	K46-L66 HydrophobicContact CB-CD1 4.34Å; K46-L66 WeakPolarHBondContact O-CD1 3.42Å; I48-L66 HydrophobicContact CD1-CB 4.15Å; I48-L66 HydrophobicContact CD1-CD1 4.25Å; I48-L66 HydrophobicContact CG1-CB 4.01Å; I48-L66 HydrophobicContact CG1-CD1 3.5Å; I48-L66 VanDerWaalsContact CG1-CD1 3.5Å; I48-L66 HydrophobicContact CG1-CG 4.31Å; T64-L66 PolarHBondContact O-N 3.41Å; L66-S69 PolarHBondContact O-N 3.39Å; L66-F70 PolarHBondContact O-N 3.2Å; L66-F70 VanDerWaalsContact O-N 3.15Å; L66-F450 HydrophobicContact CD1-CE1 3.89Å; L66-F450 HydrophobicContact CD2-CD1 3.54Å; L66-F450 HydrophobicContact CD2-CE1 3.66Å; L66-F450 HydrophobicContact CG-CD1 3.69Å; L66-F450 HydrophobicContact CG-CE1 3.42Å; L66-F450 VanDerWaalsContact CG-CE1 3.42Å; L66-F450 HydrophobicContact CG-CZ 4.19Å; L66-T451 HydrophobicContact CD2-CG2 4.13Å
67	S	98.1	Very high	96.7	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-63.5	-46.7	175.4	-177.1	0	0	0	0	111.3	T64 S69 F70 Y71 F499 D500 R503	T64-S67 PolarHBondContact O-N 2.99Å; T64-S67 WeakPolarHBondContact OG1-CB 3.39Å; T64-S67 PolarHBondContact OG1-N 2.96Å; T64-S67 VanDerWaalsContact OG1-N 3.13Å; S67-S69 VanDerWaalsContact C-N 3.34Å; S67-S69 PolarHBondContact O-N 2.95Å; S67-F70 PolarHBondContact O-N 3.49Å; S67-Y71 WeakPolarHBondContact O-CB 3.35Å; S67-Y71 PolarHBondContact O-N 2.97Å; S67-F499 WeakPolarHBondContact OG-CD1 3.06Å; S67-F499 WeakPolarHBondContact OG-CE1 3.44Å; S67-D500 PolarHBondContact OG-OD1 2.98Å; S67-R503 PolarHBondContact OG-NH2 3.36Å; S67-R503 VanDerWaalsContact OG-NH2 3.09Å
68	A	98.3	Very high	96.8	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.8	-43.2	178.4	0	0	0	0	0	112.5	I54 L57 A58 T64 Y72 L496	I54-A68 HydrophobicContact CG2-CB 3.93Å; L57-A68 HydrophobicContact CD2-CB 4.4Å; L57-A68 HydrophobicContact CG-CB 4.46Å; A58-A68 HydrophobicContact CB-CB 3.82Å; T64-A68 WeakPolarHBondContact O-CB 3.4Å; T64-A68 PolarHBondContact O-N 3.1Å; A68-Y72 WeakPolarHBondContact O-CB 3.3Å; A68-Y72 PolarHBondContact O-N 3.29Å; A68-L496 HydrophobicContact CB-CD1 4.46Å; A68-L496 HydrophobicContact CB-CD2 3.58Å
69	S	98.2	Very high	96.6	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.007	17%	0.169	C	C	.	.	H	α-helix	trans	-59	-48.9	175.2	173.5	0	0	0	0	111.8	Q47 D49 E65 L66 S67 R73	Q47-S69 PolarHBondContact O-OG 3.2Å; D49-S69 PolarHBondContact N-OG 3.46Å; E65-S69 WeakPolarHBondContact O-CB 3.3Å; E65-S69 PolarHBondContact O-N 3.35Å; L66-S69 PolarHBondContact O-N 3.39Å; S67-S69 VanDerWaalsContact C-N 3.34Å; S67-S69 PolarHBondContact O-N 2.95Å; S69-R73 PolarHBondContact O-N 3.05Å; S69-R73 VanDerWaalsContact O-N 3.13Å; S69-R73 PolarHBondContact OG-NH1 3.34Å
70	F	98.6	Very high	96.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.4	-52.8	178.5	-173.1	-82.7	0	0	0	111.2	N45 L66 S67 Y72 R73 I74 F450 L458 A462 F499	N45-F70 VanDerWaalsContact O-CD2 3.24Å; N45-F70 WeakPolarHBondContact O-CD2 3.33Å; L66-F70 PolarHBondContact O-N 3.2Å; L66-F70 VanDerWaalsContact O-N 3.15Å; S67-F70 PolarHBondContact O-N 3.49Å; F70-Y72 VanDerWaalsContact C-N 3.34Å; F70-Y72 PolarHBondContact O-N 2.94Å; F70-R73 WeakPolarHBondContact O-CB 3.21Å; F70-R73 PolarHBondContact O-N 3.44Å; F70-I74 HydrophobicContact CD1-CG1 3.97Å; F70-I74 HydrophobicContact CE1-CD1 4.14Å; F70-I74 HydrophobicContact CE1-CG1 3.66Å; F70-I74 HydrophobicContact CZ-CD1 4.31Å; F70-I74 HydrophobicContact CZ-CG1 4.33Å; F70-I74 WeakPolarHBondContact O-CG1 3.49Å; F70-I74 PolarHBondContact O-N 3.33Å; F70-I74 VanDerWaalsContact O-N 3.11Å; F70-F450 HydrophobicContact CB-CE2 3.75Å; F70-F450 HydrophobicContact CB-CZ 3.57Å; F70-F450 HydrophobicContact CD1-CE2 4.36Å; F70-F450 HydrophobicContact CD2-CE2 4.45Å; F70-F450 AromaticContact CD2-CZ 3.93Å; F70-F450 HydrophobicContact CD2-CZ 3.93Å; F70-F450 AromaticContact CG-CE2 3.94Å; F70-F450 HydrophobicContact CG-CE2 3.94Å; F70-F450 AromaticContact CG-CZ 3.8Å; F70-F450 HydrophobicContact CG-CZ 3.8Å; F70-L458 HydrophobicContact CD1-CB 4.34Å; F70-L458 HydrophobicContact CE1-CB 3.63Å; F70-L458 HydrophobicContact CE2-CB 4.22Å; F70-L458 HydrophobicContact CE2-CD1 4.34Å; F70-L458 HydrophobicContact CZ-CB 3.55Å; F70-L458 HydrophobicContact CZ-CD1 4.48Å; F70-A462 HydrophobicContact CD1-CB 4.5Å; F70-A462 HydrophobicContact CE1-CB 4.23Å; F70-F499 HydrophobicContact CD1-CE1 4.21Å; F70-F499 AromaticContact CD1-CZ 3.75Å; F70-F499 HydrophobicContact CD1-CZ 3.75Å; F70-F499 HydrophobicContact CE1-CZ 4.24Å
71	Y	98.6	Very high	96.6	Very high	1 Å²	1	34.8 Å²	34.8	0%	0.004	18%	0.178	C	C	.	.	H	α-helix	trans	-58.5	-45.2	-179.2	-176.3	-105.7	0	0	0	112.2	S67 R73 I74 V75 A462 W466 L492 G495 L496 F499	S67-Y71 WeakPolarHBondContact O-CB 3.35Å; S67-Y71 PolarHBondContact O-N 2.97Å; Y71-R73 VanDerWaalsContact C-N 3.33Å; Y71-R73 PolarHBondContact O-N 2.98Å; Y71-I74 PolarHBondContact O-N 2.72Å; Y71-I74 VanDerWaalsContact O-N 3.12Å; Y71-V75 HydrophobicContact CD1-CG2 4.14Å; Y71-V75 HydrophobicContact CE1-CG2 3.61Å; Y71-V75 HydrophobicContact CE2-CG2 4.16Å; Y71-V75 WeakPolarHBondContact O-CG2 3.5Å; Y71-V75 PolarHBondContact O-N 3.12Å; Y71-A462 HydrophobicContact CD2-CB 3.95Å; Y71-A462 HydrophobicContact CE2-CB 4.42Å; Y71-A462 WeakPolarHBondContact CE2-O 3.42Å; Y71-W466 VanDerWaalsContact OH-CA 3.24Å; Y71-W466 WeakPolarHBondContact OH-CA 3.44Å; Y71-W466 PolarHBondContact OH-N 2.77Å; Y71-L492 HydrophobicContact CD1-CD1 4.23Å; Y71-L492 HydrophobicContact CE1-CD1 3.91Å; Y71-L492 WeakPolarHBondContact CE1-O 3.44Å; Y71-G495 WeakPolarHBondContact OH-CA 3.39Å; Y71-L496 HydrophobicContact CD1-CB 3.66Å; Y71-L496 HydrophobicContact CD1-CD1 4.2Å; Y71-L496 HydrophobicContact CD1-CG 4.46Å; Y71-L496 HydrophobicContact CE1-CB 3.99Å; Y71-L496 VanDerWaalsContact CE1-N 3.26Å; Y71-L496 HydrophobicContact CG-CB 4.28Å; Y71-L496 HydrophobicContact CG-CD1 4.06Å; Y71-F499 HydrophobicContact CD2-CB 3.7Å; Y71-F499 AromaticContact CD2-CD1 3.89Å; Y71-F499 HydrophobicContact CD2-CD1 3.89Å; Y71-F499 HydrophobicContact CD2-CD2 4.5Å; Y71-F499 AromaticContact CD2-CG 3.79Å; Y71-F499 HydrophobicContact CD2-CG 3.79Å; Y71-F499 HydrophobicContact CE2-CB 4.03Å; Y71-F499 HydrophobicContact CG-CB 4.42Å; Y71-F499 HydrophobicContact CG-CD1 4.12Å; Y71-F499 HydrophobicContact CG-CG 4.44Å
72	Y	97.8	Very high	96.7	Very high	44 Å²	44	34.9 Å²	34.9	17%	0.173	18%	0.179	C	C	.	.	H	α-helix	trans	-59.7	-41.7	178.2	-178.6	-103	0	0	0	112.4	K53 I54 L57 A68 F70 I74 V75 N76 L492	K53-Y72 HydrophobicContact CD-CE2 4.16Å; K53-Y72 VanDerWaalsContact CE-CE2 3.45Å; K53-Y72 PolarHBondContact NZ-OH 3.48Å; I54-Y72 HydrophobicContact CD1-CD1 3.72Å; I54-Y72 HydrophobicContact CD1-CD2 4.37Å; I54-Y72 HydrophobicContact CD1-CG 3.62Å; L57-Y72 HydrophobicContact CD2-CD2 4.45Å; A68-Y72 WeakPolarHBondContact O-CB 3.3Å; A68-Y72 PolarHBondContact O-N 3.29Å; F70-Y72 VanDerWaalsContact C-N 3.34Å; F70-Y72 PolarHBondContact O-N 2.94Å; Y72-I74 VanDerWaalsContact C-N 3.35Å; Y72-I74 PolarHBondContact O-N 3.24Å; Y72-V75 PolarHBondContact O-N 2.9Å; Y72-N76 WeakPolarHBondContact CD1-ND2 3.34Å; Y72-N76 WeakPolarHBondContact CE1-ND2 3.43Å; Y72-N76 PolarHBondContact O-N 3.38Å; Y72-N76 PolarHBondContact O-ND2 3.06Å; Y72-L492 HydrophobicContact CD2-CD1 4.22Å; Y72-L492 HydrophobicContact CD2-CD2 3.92Å; Y72-L492 HydrophobicContact CE2-CD2 4.19Å
73	R	97.5	Very high	96.8	Very high	30 Å²	30	32.6 Å²	32.6	11%	0.113	17%	0.168	C	C	.	.	H	α-helix	trans	-60.1	-44.3	173.5	-75.8	-165.7	-64.8	-102.7	-0.9	112	N45 Q47 S69 F70 Y71 N76 Y77	N45-R73 PolarHBondContact O-NH2 3.27Å; N45-R73 PolarHBondContact OD1-NH2 3.46Å; Q47-R73 PolarHBondContact O-NH1 3.39Å; Q47-R73 PolarHBondContact O-NH2 2.96Å; Q47-R73 VanDerWaalsContact O-NH2 3.12Å; S69-R73 PolarHBondContact O-N 3.05Å; S69-R73 VanDerWaalsContact O-N 3.13Å; S69-R73 PolarHBondContact OG-NH1 3.34Å; F70-R73 WeakPolarHBondContact O-CB 3.21Å; F70-R73 PolarHBondContact O-N 3.44Å; Y71-R73 VanDerWaalsContact C-N 3.33Å; Y71-R73 PolarHBondContact O-N 2.98Å; R73-N76 PolarHBondContact O-N 2.86Å; R73-Y77 PolarHBondContact O-N 2.96Å
74	I	98.1	Very high	96.8	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.7	-42.1	178.7	-59	-43.3	0	0	0	110.9	L43 F70 Y71 Y72 N76 Y77 I78 F459 A462 L463	L43-I74 HydrophobicContact CB-CD1 4.12Å; L43-I74 HydrophobicContact CD2-CD1 4.3Å; F70-I74 HydrophobicContact CD1-CG1 3.97Å; F70-I74 HydrophobicContact CE1-CD1 4.14Å; F70-I74 HydrophobicContact CE1-CG1 3.66Å; F70-I74 HydrophobicContact CZ-CD1 4.31Å; F70-I74 HydrophobicContact CZ-CG1 4.33Å; F70-I74 WeakPolarHBondContact O-CG1 3.49Å; F70-I74 PolarHBondContact O-N 3.33Å; F70-I74 VanDerWaalsContact O-N 3.11Å; Y71-I74 PolarHBondContact O-N 2.72Å; Y71-I74 VanDerWaalsContact O-N 3.12Å; Y72-I74 VanDerWaalsContact C-N 3.35Å; Y72-I74 PolarHBondContact O-N 3.24Å; I74-N76 PolarHBondContact O-N 3.19Å; I74-Y77 WeakPolarHBondContact O-CB 3.3Å; I74-Y77 PolarHBondContact O-N 3.41Å; I74-I78 HydrophobicContact CG2-CD1 4.2Å; I74-I78 HydrophobicContact CG2-CG1 4.49Å; I74-I78 VanDerWaalsContact O-CG1 3.28Å; I74-I78 WeakPolarHBondContact O-CG1 3.49Å; I74-I78 PolarHBondContact O-N 2.58Å; I74-F459 HydrophobicContact CD1-CD2 3.62Å; I74-F459 HydrophobicContact CD1-CE2 4.03Å; I74-F459 HydrophobicContact CG1-CD2 4.31Å; I74-F459 HydrophobicContact CG2-CD2 4.4Å; I74-F459 HydrophobicContact CG2-CE2 4.32Å; I74-A462 HydrophobicContact CB-CB 3.96Å; I74-A462 HydrophobicContact CG1-CB 3.86Å; I74-A462 HydrophobicContact CG2-CB 3.84Å; I74-L463 HydrophobicContact CG2-CD2 3.93Å
75	V	97.4	Very high	96.7	Very high	15 Å²	15	36.6 Å²	36.6	9%	0.091	19%	0.185	C	C	.	.	H	α-helix	trans	-63.1	-41.7	176.8	173.7	0	0	0	0	112	Y71 Y72 Y77 I78 N79 L492	Y71-V75 HydrophobicContact CD1-CG2 4.14Å; Y71-V75 HydrophobicContact CE1-CG2 3.61Å; Y71-V75 HydrophobicContact CE2-CG2 4.16Å; Y71-V75 WeakPolarHBondContact O-CG2 3.5Å; Y71-V75 PolarHBondContact O-N 3.12Å; Y72-V75 PolarHBondContact O-N 2.9Å; V75-Y77 VanDerWaalsContact C-N 3.33Å; V75-Y77 PolarHBondContact O-N 3.44Å; V75-I78 PolarHBondContact O-N 3.09Å; V75-N79 PolarHBondContact O-N 2.89Å; V75-N79 VanDerWaalsContact O-N 3.12Å; V75-N79 PolarHBondContact O-ND2 3.21Å; V75-L492 HydrophobicContact CB-CD1 4.14Å; V75-L492 HydrophobicContact CG1-CD1 4.05Å; V75-L492 HydrophobicContact CG2-CD1 4.01Å
76	N	96.6	Very high	96.7	Very high	46 Å²	46	33.2 Å²	33.2	25%	0.246	17%	0.169	C	C	.	.	H	α-helix	trans	-63	-42.2	175	-66.4	-23.2	0	0	0	111.6	Y72 R73 I74 I78 N79 E80	Y72-N76 WeakPolarHBondContact CD1-ND2 3.34Å; Y72-N76 WeakPolarHBondContact CE1-ND2 3.43Å; Y72-N76 PolarHBondContact O-N 3.38Å; Y72-N76 PolarHBondContact O-ND2 3.06Å; R73-N76 PolarHBondContact O-N 2.86Å; I74-N76 PolarHBondContact O-N 3.19Å; N76-I78 VanDerWaalsContact C-N 3.31Å; N76-I78 PolarHBondContact O-N 3.38Å; N76-N79 PolarHBondContact O-N 2.9Å; N76-E80 WeakPolarHBondContact O-CB 3.06Å; N76-E80 PolarHBondContact O-N 3.21Å
77	Y	97.6	Very high	96.5	Very high	4 Å²	4	37 Å²	37	2%	0.016	18%	0.181	C	C	.	.	H	α-helix	trans	-54.8	-46.8	172.8	163.7	-104	0	0	0	112.1	E29 Y32 V33 L39 L43 R73 I74 V75 N79 E80 N81 A82 F459	E29-Y77 HydrophobicContact CG-CE1 4.22Å; E29-Y77 WeakPolarHBondContact OE1-CE1 3.22Å; E29-Y77 VanDerWaalsContact OE1-CZ 3.3Å; E29-Y77 PolarHBondContact OE1-OH 2.9Å; Y32-Y77 WeakPolarHBondContact CD1-OH 3.41Å; V33-Y77 HydrophobicContact CG2-CE1 4.18Å; V33-Y77 HydrophobicContact CG2-CE2 4.33Å; L39-Y77 HydrophobicContact CD1-CD2 3.85Å; L39-Y77 HydrophobicContact CD1-CE2 3.95Å; L39-Y77 HydrophobicContact CD2-CD2 4.45Å; L39-Y77 HydrophobicContact CD2-CE2 3.71Å; L39-Y77 HydrophobicContact CG-CE2 4.26Å; L43-Y77 HydrophobicContact CD1-CD1 4Å; L43-Y77 HydrophobicContact CD1-CD2 3.45Å; L43-Y77 VanDerWaalsContact CD1-CD2 3.45Å; L43-Y77 HydrophobicContact CD1-CE1 4.41Å; L43-Y77 HydrophobicContact CD1-CE2 3.89Å; L43-Y77 HydrophobicContact CD1-CG 3.49Å; L43-Y77 VanDerWaalsContact CD1-CG 3.49Å; L43-Y77 HydrophobicContact CD2-CD2 4.46Å; L43-Y77 HydrophobicContact CD2-CG 4.19Å; L43-Y77 HydrophobicContact CG-CG 4.49Å; R73-Y77 PolarHBondContact O-N 2.96Å; I74-Y77 WeakPolarHBondContact O-CB 3.3Å; I74-Y77 PolarHBondContact O-N 3.41Å; V75-Y77 VanDerWaalsContact C-N 3.33Å; V75-Y77 PolarHBondContact O-N 3.44Å; Y77-N79 VanDerWaalsContact C-N 3.29Å; Y77-N79 PolarHBondContact O-N 3.13Å; Y77-E80 PolarHBondContact O-N 3Å; Y77-N81 HydrophobicContact CD2-CB 3.6Å; Y77-N81 HydrophobicContact CE2-CB 3.73Å; Y77-N81 CarbonylContact O-C 3.5Å; Y77-N81 WeakPolarHBondContact O-CA 3.3Å; Y77-N81 PolarHBondContact O-N 3.14Å; Y77-A82 HydrophobicContact CE1-CB 4.05Å; Y77-A82 PolarHBondContact O-N 2.93Å; Y77-F459 HydrophobicContact CD1-CE2 4.17Å; Y77-F459 HydrophobicContact CD1-CZ 4.43Å; Y77-F459 HydrophobicContact CE1-CE2 4.13Å; Y77-F459 AromaticContact CE1-CZ 3.96Å; Y77-F459 HydrophobicContact CE1-CZ 3.96Å
78	I	97.1	Very high	96.3	Very high	4 Å²	4	44.8 Å²	44.8	2%	0.021	21%	0.211	C	C	.	.	H	α-helix	trans	-60.6	-42.1	179.9	-62.9	164.3	0	0	0	111.3	I74 V75 N76 E80 A82 L86 L463 W466	I74-I78 HydrophobicContact CG2-CD1 4.2Å; I74-I78 HydrophobicContact CG2-CG1 4.49Å; I74-I78 VanDerWaalsContact O-CG1 3.28Å; I74-I78 WeakPolarHBondContact O-CG1 3.49Å; I74-I78 PolarHBondContact O-N 2.58Å; V75-I78 PolarHBondContact O-N 3.09Å; N76-I78 VanDerWaalsContact C-N 3.31Å; N76-I78 PolarHBondContact O-N 3.38Å; I78-E80 PolarHBondContact O-N 3.45Å; I78-A82 HydrophobicContact CB-CB 4.48Å; I78-A82 HydrophobicContact CG2-CB 4.42Å; I78-L86 HydrophobicContact CG1-CD2 4.23Å; I78-L86 HydrophobicContact CG2-CD2 4.45Å; I78-L463 HydrophobicContact CD1-CD2 3.51Å; I78-L463 HydrophobicContact CG1-CD2 3.77Å; I78-W466 HydrophobicContact CD1-CB 4Å; I78-W466 HydrophobicContact CD1-CD2 3.56Å; I78-W466 HydrophobicContact CD1-CE3 3.95Å; I78-W466 HydrophobicContact CD1-CG 3.55Å; I78-W466 HydrophobicContact CG2-CD2 4.31Å; I78-W466 HydrophobicContact CG2-CH2 3.92Å; I78-W466 HydrophobicContact CG2-CZ2 3.49Å; I78-W466 VanDerWaalsContact CG2-CZ2 3.49Å; I78-W466 HydrophobicContact CG2-CZ3 4.48Å
79	N	93.1	Very high	96.2	Very high	100 Å²	100	45.1 Å²	45.1	54%	0.535	21%	0.212	S	C	.	.	H	α-helix	trans	-69.8	-31.9	-177.3	-67.3	-27.8	0	0	0	113	V75 N76 Y77	V75-N79 PolarHBondContact O-N 2.89Å; V75-N79 VanDerWaalsContact O-N 3.12Å; V75-N79 PolarHBondContact O-ND2 3.21Å; N76-N79 PolarHBondContact O-N 2.9Å; Y77-N79 VanDerWaalsContact C-N 3.29Å; Y77-N79 PolarHBondContact O-N 3.13Å
80	E	93.9	Very high	96	Very high	138 Å²	138	47.8 Å²	47.8	65%	0.645	23%	0.226	S	C	*	.	H	α-helix	trans	-107.1	-39.4	-170.7	-66.1	177.7	-179.5	0	0	113.8	N76 Y77 I78	N76-E80 WeakPolarHBondContact O-CB 3.06Å; N76-E80 PolarHBondContact O-N 3.21Å; Y77-E80 PolarHBondContact O-N 3Å; I78-E80 PolarHBondContact O-N 3.45Å
81	N	93.6	Very high	95.7	Very high	81 Å²	81	51.1 Å²	51.1	43%	0.433	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.9	-8.5	-158.7	-65.9	-67.6	0	0	0	114.6	Y77	Y77-N81 HydrophobicContact CD2-CB 3.6Å; Y77-N81 HydrophobicContact CE2-CB 3.73Å; Y77-N81 CarbonylContact O-C 3.5Å; Y77-N81 WeakPolarHBondContact O-CA 3.3Å; Y77-N81 PolarHBondContact O-N 3.14Å
82	A	95.9	Very high	95.5	Very high	1 Å²	1	53.7 Å²	53.7	1%	0.008	26%	0.259	C	S	.	.			trans	-63	154.8	179.6	0	0	0	0	0	113.5	E29 Y77 I78 L86 R87	E29-A82 VanDerWaalsContact OE1-CA 3.26Å; E29-A82 WeakPolarHBondContact OE1-CA 3.44Å; E29-A82 WeakPolarHBondContact OE1-CB 3.39Å; Y77-A82 HydrophobicContact CE1-CB 4.05Å; Y77-A82 PolarHBondContact O-N 2.93Å; I78-A82 HydrophobicContact CB-CB 4.48Å; I78-A82 HydrophobicContact CG2-CB 4.42Å; A82-L86 HydrophobicContact CB-CB 4.48Å; A82-L86 HydrophobicContact CB-CD2 3.94Å; A82-R87 HydrophobicContact CB-CG 4.41Å; A82-R87 PolarHBondContact O-NE 3.41Å; A82-R87 PolarHBondContact O-NH2 2.89Å
83	T	96.8	Very high	95.3	Very high	28 Å²	28	51.7 Å²	51.7	17%	0.172	25%	0.251	C	S	.	.			trans	-61	156.7	177.7	73.4	0	0	0	0	111.5	E29 Y32 D85 L86 R87	E29-T83 PolarHBondContact OE1-N 3.37Å; E29-T83 VanDerWaalsContact OE2-CB 3.26Å; E29-T83 WeakPolarHBondContact OE2-CB 3.23Å; E29-T83 WeakPolarHBondContact OE2-CG2 3.36Å; E29-T83 PolarHBondContact OE2-OG1 2.94Å; Y32-T83 HydrophobicContact CD1-CG2 3.62Å; Y32-T83 HydrophobicContact CD2-CG2 3.96Å; Y32-T83 HydrophobicContact CE1-CG2 4.07Å; Y32-T83 HydrophobicContact CE2-CG2 4.39Å; Y32-T83 HydrophobicContact CG-CG2 3.55Å; T83-D85 PolarHBondContact O-N 2.94Å; T83-D85 PolarHBondContact OG1-N 3.18Å; T83-L86 PolarHBondContact O-N 2.98Å; T83-L86 PolarHBondContact OG1-N 3.25Å; T83-R87 PolarHBondContact O-N 3.46Å; T83-R87 VanDerWaalsContact O-N 3.11Å
84	N	95.5	Very high	95	Very high	103 Å²	103	53.7 Å²	53.7	55%	0.551	26%	0.264	S	S	*	.	H	α-helix	trans	-63.6	-28.7	174.4	-73.7	-27.6	0	0	0	111.9	R87 R88	N84-R87 PolarHBondContact O-N 2.8Å; N84-R87 PolarHBondContact OD1-NH2 3Å; N84-R88 WeakPolarHBondContact O-CB 3.44Å; N84-R88 WeakPolarHBondContact O-CG 3.37Å; N84-R88 PolarHBondContact O-N 3.04Å
85	D	93.9	Very high	94.8	Very high	70 Å²	70	57.6 Å²	57.6	37%	0.374	28%	0.282	S	S	.	.	H	α-helix	trans	-67.3	-44.2	178.8	-64.6	-36.5	0	0	0	110.7	L25 T83 R88	L25-D85 HydrophobicContact CD1-CB 3.97Å; T83-D85 PolarHBondContact O-N 2.94Å; T83-D85 PolarHBondContact OG1-N 3.18Å; D85-R88 PolarHBondContact O-N 3.15Å; D85-R88 IonicContact OD1-NH1 3.97Å; D85-R88 PolarHBondContact OD1-NH1 3.17Å
86	L	96.3	Very high	94.5	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-46.4	173.4	-179.7	60.2	0	0	0	111.1	W22 L25 E29 I78 A82 T83 R88 I89 L463 W466	W22-L86 HydrophobicContact CH2-CD1 3.96Å; W22-L86 HydrophobicContact CZ3-CD1 3.92Å; L25-L86 HydrophobicContact CD2-CD1 3.97Å; L25-L86 HydrophobicContact CG-CD1 4.14Å; E29-L86 HydrophobicContact CG-CD2 3.87Å; I78-L86 HydrophobicContact CG1-CD2 4.23Å; I78-L86 HydrophobicContact CG2-CD2 4.45Å; A82-L86 HydrophobicContact CB-CB 4.48Å; A82-L86 HydrophobicContact CB-CD2 3.94Å; T83-L86 PolarHBondContact O-N 2.98Å; T83-L86 PolarHBondContact OG1-N 3.25Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 3.39Å; L86-I89 VanDerWaalsContact O-CB 3.3Å; L86-I89 WeakPolarHBondContact O-CB 3.2Å; L86-I89 WeakPolarHBondContact O-CG2 3.36Å; L86-I89 PolarHBondContact O-N 3.34Å; L86-L463 HydrophobicContact CD2-CD1 4.38Å; L86-L463 HydrophobicContact CD2-CD2 3.92Å; L86-W466 HydrophobicContact CD1-CZ3 3.98Å; L86-W466 HydrophobicContact CG-CZ3 4.42Å
87	R	93.3	Very high	94.2	Very high	111 Å²	111	58.1 Å²	58.1	42%	0.419	29%	0.285	S	S	.	.	H	α-helix	trans	-64.3	-27.9	-178.4	-74	-174.8	-78	166.3	-10.1	113.9	A82 T83 N84 I89 I90 P91	A82-R87 HydrophobicContact CB-CG 4.41Å; A82-R87 PolarHBondContact O-NE 3.41Å; A82-R87 PolarHBondContact O-NH2 2.89Å; T83-R87 PolarHBondContact O-N 3.46Å; T83-R87 VanDerWaalsContact O-N 3.11Å; N84-R87 PolarHBondContact O-N 2.8Å; N84-R87 PolarHBondContact OD1-NH2 3Å; R87-I89 PolarHBondContact O-N 3.49Å; R87-I90 PolarHBondContact O-N 2.91Å; R87-P91 WeakPolarHBondContact O-CD 3.42Å
88	R	94.7	Very high	93.9	Very high	164 Å²	164	64.4 Å²	64.4	62%	0.619	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.2	173.8	-81.9	168.8	174.4	172	-4.4	113.7	N84 D85 L86 I90 P91 F92	N84-R88 WeakPolarHBondContact O-CB 3.44Å; N84-R88 WeakPolarHBondContact O-CG 3.37Å; N84-R88 PolarHBondContact O-N 3.04Å; D85-R88 PolarHBondContact O-N 3.15Å; D85-R88 IonicContact OD1-NH1 3.97Å; D85-R88 PolarHBondContact OD1-NH1 3.17Å; L86-R88 VanDerWaalsContact C-N 3.27Å; L86-R88 PolarHBondContact O-N 3.39Å; R88-I90 VanDerWaalsContact C-N 3.26Å; R88-I90 PolarHBondContact O-N 2.91Å; R88-P91 VanDerWaalsContact O-CD 3.3Å; R88-P91 WeakPolarHBondContact O-CD 3.45Å; R88-P91 VanDerWaalsContact O-CG 3.3Å; R88-P91 WeakPolarHBondContact O-CG 3.34Å; R88-F92 PolarHBondContact O-N 3.1Å
89	I	94.9	Very high	93.4	Very high	7 Å²	7	65.4 Å²	65.4	4%	0.036	33%	0.327	C	S	.	.	H	α-helix	trans	-63.8	-33.2	175.5	-157.3	67.6	0	0	0	112	W22 L25 L86 R87 F92 I93 L406 W466 L467	W22-I89 HydrophobicContact CZ3-CG1 4.36Å; L25-I89 HydrophobicContact CD2-CB 4.34Å; L25-I89 HydrophobicContact CD2-CD1 4.14Å; L25-I89 HydrophobicContact CD2-CG1 4.48Å; L86-I89 VanDerWaalsContact O-CB 3.3Å; L86-I89 WeakPolarHBondContact O-CB 3.2Å; L86-I89 WeakPolarHBondContact O-CG2 3.36Å; L86-I89 PolarHBondContact O-N 3.34Å; R87-I89 PolarHBondContact O-N 3.49Å; I89-F92 HydrophobicContact CD1-CD1 4.02Å; I89-F92 WeakPolarHBondContact O-CB 3.21Å; I89-F92 PolarHBondContact O-N 3.46Å; I89-I93 HydrophobicContact CG1-CD1 4.28Å; I89-I93 HydrophobicContact CG1-CG1 4.43Å; I89-I93 HydrophobicContact CG2-CD1 4.48Å; I89-I93 VanDerWaalsContact O-CG1 3.24Å; I89-I93 WeakPolarHBondContact O-CG1 3.15Å; I89-I93 PolarHBondContact O-N 2.96Å; I89-L406 HydrophobicContact CD1-CD1 4.25Å; I89-L406 HydrophobicContact CD1-CD2 4.4Å; I89-W466 HydrophobicContact CG2-CH2 3.65Å; I89-W466 HydrophobicContact CG2-CZ3 3.86Å; I89-L467 HydrophobicContact CG1-CD1 3.93Å; I89-L467 HydrophobicContact CG2-CD1 4.29Å
90	I	94.1	Very high	93.1	Very high	56 Å²	56	65.1 Å²	65.1	29%	0.287	33%	0.325	S	S	.	.	H	α-helix	trans	-64.2	-54.3	-177.8	-58.9	-57.8	0	0	0	112.6	R87 R88 F92 I93 N94 W466 K470	R87-I90 PolarHBondContact O-N 2.91Å; R88-I90 VanDerWaalsContact C-N 3.26Å; R88-I90 PolarHBondContact O-N 2.91Å; I90-F92 PolarHBondContact O-N 3.39Å; I90-I93 HydrophobicContact CD1-CD1 4.23Å; I90-I93 PolarHBondContact O-N 3.37Å; I90-N94 PolarHBondContact O-N 3.02Å; I90-N94 VanDerWaalsContact O-N 3.11Å; I90-W466 HydrophobicContact CD1-CH2 3.84Å; I90-W466 HydrophobicContact CD1-CZ2 3.76Å; I90-W466 HydrophobicContact CG1-CH2 4.27Å; I90-W466 HydrophobicContact CG1-CZ2 4.26Å; I90-K470 HydrophobicContact CD1-CB 4.2Å; I90-K470 HydrophobicContact CD1-CD 4.09Å; I90-K470 HydrophobicContact CD1-CG 3.75Å
91	P	93.8	Very high	92.8	Very high	70 Å²	70	60.7 Å²	60.7	46%	0.455	31%	0.306	S	S	.	.	H	α-helix	trans	-60.7	-33.3	174.2	22.1	-31.8	0	0	0	111.8	R87 R88 N94 E95	R87-P91 WeakPolarHBondContact O-CD 3.42Å; R88-P91 VanDerWaalsContact O-CD 3.3Å; R88-P91 WeakPolarHBondContact O-CD 3.45Å; R88-P91 VanDerWaalsContact O-CG 3.3Å; R88-P91 WeakPolarHBondContact O-CG 3.34Å; P91-N94 WeakPolarHBondContact O-CB 3.28Å; P91-N94 PolarHBondContact O-N 2.97Å; P91-E95 WeakPolarHBondContact O-CG 3.21Å; P91-E95 PolarHBondContact O-N 3.22Å
92	F	93.3	Very high	92.5	Very high	56 Å²	56	61.9 Å²	61.9	25%	0.246	32%	0.319	C	S	.	.	H	α-helix	trans	-64.4	-40.8	175.2	-178	-114.6	0	0	0	113.3	L21 R88 I89 I90 N94 E95 L96 I101 F405	L21-F92 HydrophobicContact CD2-CE1 3.95Å; R88-F92 PolarHBondContact O-N 3.1Å; I89-F92 HydrophobicContact CD1-CD1 4.02Å; I89-F92 WeakPolarHBondContact O-CB 3.21Å; I89-F92 PolarHBondContact O-N 3.46Å; I90-F92 PolarHBondContact O-N 3.39Å; F92-N94 VanDerWaalsContact C-N 3.29Å; F92-N94 PolarHBondContact O-N 2.72Å; F92-E95 PolarHBondContact O-N 2.82Å; F92-L96 HydrophobicContact CD1-CD1 4.08Å; F92-L96 HydrophobicContact CE1-CD1 3.72Å; F92-L96 HydrophobicContact CE1-CG 4.34Å; F92-L96 HydrophobicContact CZ-CD1 4.11Å; F92-L96 HydrophobicContact CZ-CD2 4.36Å; F92-L96 HydrophobicContact CZ-CG 4.3Å; F92-L96 WeakPolarHBondContact O-CG 3.42Å; F92-L96 PolarHBondContact O-N 3.18Å; F92-I101 HydrophobicContact CD2-CD1 3.98Å; F92-I101 HydrophobicContact CE2-CD1 3.45Å; F92-I101 VanDerWaalsContact CE2-CD1 3.45Å; F92-I101 HydrophobicContact CZ-CD1 4.22Å; F92-F405 HydrophobicContact CE1-CD1 4.39Å; F92-F405 HydrophobicContact CE1-CE1 4.32Å; F92-F405 HydrophobicContact CZ-CD1 4.26Å; F92-F405 HydrophobicContact CZ-CE1 4.13Å
93	I	93.4	Very high	92.3	Very high	2 Å²	2	63.4 Å²	63.4	1%	0.01	33%	0.327	C	S	.	.	H	α-helix	trans	-60.2	-41.1	172.4	-67.3	161.6	0	0	0	110.4	I89 I90 L96 N97 F403 L406 L467 K470 I471	I89-I93 HydrophobicContact CG1-CD1 4.28Å; I89-I93 HydrophobicContact CG1-CG1 4.43Å; I89-I93 HydrophobicContact CG2-CD1 4.48Å; I89-I93 VanDerWaalsContact O-CG1 3.24Å; I89-I93 WeakPolarHBondContact O-CG1 3.15Å; I89-I93 PolarHBondContact O-N 2.96Å; I90-I93 HydrophobicContact CD1-CD1 4.23Å; I90-I93 PolarHBondContact O-N 3.37Å; I93-L96 WeakPolarHBondContact O-CB 3.11Å; I93-L96 PolarHBondContact O-N 2.79Å; I93-N97 WeakPolarHBondContact O-CB 3.29Å; I93-N97 PolarHBondContact O-N 2.96Å; I93-F403 HydrophobicContact CG2-CD1 4.36Å; I93-F403 HydrophobicContact CG2-CE1 3.8Å; I93-L406 HydrophobicContact CG1-CD2 4.06Å; I93-L467 HydrophobicContact CD1-CD1 3.34Å; I93-L467 HydrophobicContact CG1-CD1 4.3Å; I93-K470 HydrophobicContact CD1-CB 4.21Å; I93-I471 HydrophobicContact CD1-CG1 4.32Å; I93-I471 HydrophobicContact CG2-CG1 4.43Å
94	N	92.3	Very high	92	Very high	71 Å²	71	62.9 Å²	62.9	38%	0.38	32%	0.322	S	S	.	.	H	α-helix	trans	-64	-42.8	177.2	-68.4	-23.3	0	0	0	111.8	I90 P91 F92 L96 N97 M98	I90-N94 PolarHBondContact O-N 3.02Å; I90-N94 VanDerWaalsContact O-N 3.11Å; P91-N94 WeakPolarHBondContact O-CB 3.28Å; P91-N94 PolarHBondContact O-N 2.97Å; F92-N94 VanDerWaalsContact C-N 3.29Å; F92-N94 PolarHBondContact O-N 2.72Å; N94-L96 VanDerWaalsContact C-N 3.33Å; N94-L96 PolarHBondContact O-N 2.91Å; N94-N97 PolarHBondContact O-N 3.41Å; N94-M98 WeakPolarHBondContact O-CB 3.37Å; N94-M98 VanDerWaalsContact O-CG 3.29Å; N94-M98 WeakPolarHBondContact O-CG 3.23Å; N94-M98 PolarHBondContact O-N 3.16Å
95	E	93.2	Very high	91.9	Very high	82 Å²	82	58.8 Å²	58.8	38%	0.383	30%	0.301	S	S	.	.	H	α-helix	trans	-61	-40.1	174.8	-68.9	-59.5	130.9	0	0	112.4	P91 F92 G99 N100 I101	P91-E95 WeakPolarHBondContact O-CG 3.21Å; P91-E95 PolarHBondContact O-N 3.22Å; F92-E95 PolarHBondContact O-N 2.82Å; E95-G99 PolarHBondContact O-N 3.45Å; E95-N100 PolarHBondContact O-N 3.33Å; E95-N100 VanDerWaalsContact O-N 3.12Å; E95-N100 VanDerWaalsContact OE2-CB 3.29Å; E95-N100 WeakPolarHBondContact OE2-CB 3.36Å; E95-N100 PolarHBondContact OE2-ND2 3.2Å; E95-I101 HydrophobicContact CB-CD1 4.06Å; E95-I101 HydrophobicContact CB-CG1 4.37Å
96	L	92.1	Very high	91.8	Very high	5 Å²	5	57.8 Å²	57.8	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-62.4	-49.3	172.9	-71.7	171.7	0	0	0	111	F92 I93 N94 M98 G99 I101 R402 F403 L406	F92-L96 HydrophobicContact CD1-CD1 4.08Å; F92-L96 HydrophobicContact CE1-CD1 3.72Å; F92-L96 HydrophobicContact CE1-CG 4.34Å; F92-L96 HydrophobicContact CZ-CD1 4.11Å; F92-L96 HydrophobicContact CZ-CD2 4.36Å; F92-L96 HydrophobicContact CZ-CG 4.3Å; F92-L96 WeakPolarHBondContact O-CG 3.42Å; F92-L96 PolarHBondContact O-N 3.18Å; I93-L96 WeakPolarHBondContact O-CB 3.11Å; I93-L96 PolarHBondContact O-N 2.79Å; N94-L96 VanDerWaalsContact C-N 3.33Å; N94-L96 PolarHBondContact O-N 2.91Å; L96-M98 VanDerWaalsContact C-N 3.35Å; L96-M98 PolarHBondContact O-N 3.25Å; L96-G99 PolarHBondContact O-N 2.65Å; L96-I101 HydrophobicContact CD2-CB 4.14Å; L96-I101 HydrophobicContact CD2-CD1 3.72Å; L96-I101 HydrophobicContact CD2-CG1 4.43Å; L96-I101 HydrophobicContact CD2-CG2 4.35Å; L96-I101 HydrophobicContact CG-CD1 4.06Å; L96-R402 WeakPolarHBondContact O-CB 3.39Å; L96-F403 HydrophobicContact CB-CD1 4.09Å; L96-F403 HydrophobicContact CB-CE1 4.2Å; L96-F403 HydrophobicContact CD1-CD1 4.4Å; L96-L406 HydrophobicContact CD1-CB 4.46Å
97	N	90.5	Very high	91.8	Very high	68 Å²	68	64.1 Å²	64.1	36%	0.364	33%	0.327	S	S	.	.	H	α-helix	trans	-60.3	-42.4	-178.4	-170	45.4	0	0	0	112.3	I93 N94 G99 F403	I93-N97 WeakPolarHBondContact O-CB 3.29Å; I93-N97 PolarHBondContact O-N 2.96Å; N94-N97 PolarHBondContact O-N 3.41Å; N97-G99 PolarHBondContact O-N 2.75Å; N97-F403 HydrophobicContact CB-CE1 3.93Å; N97-F403 HydrophobicContact CB-CZ 3.77Å
98	M	90.3	Very high	91.8	Very high	135 Å²	135	61.1 Å²	61.1	67%	0.665	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-10.3	177	-68.3	-179.6	77.4	0	0	113.1	N94 L96 N100	N94-M98 WeakPolarHBondContact O-CB 3.37Å; N94-M98 VanDerWaalsContact O-CG 3.29Å; N94-M98 WeakPolarHBondContact O-CG 3.23Å; N94-M98 PolarHBondContact O-N 3.16Å; L96-M98 VanDerWaalsContact C-N 3.35Å; L96-M98 PolarHBondContact O-N 3.25Å; M98-N100 VanDerWaalsContact C-N 3.29Å; M98-N100 PolarHBondContact O-N 3.07Å
99	G	86	Confident	91.9	Very high	25 Å²	25	53.3 Å²	53.3	26%	0.258	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.9	17.6	-178.6	0	0	0	0	0	113.8	E95 L96 N97 I101	E95-G99 PolarHBondContact O-N 3.45Å; L96-G99 PolarHBondContact O-N 2.65Å; N97-G99 PolarHBondContact O-N 2.75Å; G99-I101 PolarHBondContact O-N 3.36Å
100	N	87.9	Confident	92	Very high	94 Å²	94	56.3 Å²	56.3	50%	0.503	30%	0.302	S	S	.	.			trans	-70.3	-15.8	-179.9	-66.1	-13.8	0	0	0	112.5	E95 M98	E95-N100 PolarHBondContact O-N 3.33Å; E95-N100 VanDerWaalsContact O-N 3.12Å; E95-N100 VanDerWaalsContact OE2-CB 3.29Å; E95-N100 WeakPolarHBondContact OE2-CB 3.36Å; E95-N100 PolarHBondContact OE2-ND2 3.2Å; M98-N100 VanDerWaalsContact C-N 3.29Å; M98-N100 PolarHBondContact O-N 3.07Å
101	I	87.6	Confident	92.2	Very high	46 Å²	46	57.5 Å²	57.5	24%	0.236	30%	0.303	C	S	.	.	S	Bend	trans	-104.8	111.4	179.7	-57.4	178.4	0	0	0	109.2	F92 E95 L96 G99 M103	F92-I101 HydrophobicContact CD2-CD1 3.98Å; F92-I101 HydrophobicContact CE2-CD1 3.45Å; F92-I101 VanDerWaalsContact CE2-CD1 3.45Å; F92-I101 HydrophobicContact CZ-CD1 4.22Å; E95-I101 HydrophobicContact CB-CD1 4.06Å; E95-I101 HydrophobicContact CB-CG1 4.37Å; L96-I101 HydrophobicContact CD2-CB 4.14Å; L96-I101 HydrophobicContact CD2-CD1 3.72Å; L96-I101 HydrophobicContact CD2-CG1 4.43Å; L96-I101 HydrophobicContact CD2-CG2 4.35Å; L96-I101 HydrophobicContact CG-CD1 4.06Å; G99-I101 PolarHBondContact O-N 3.36Å; I101-M103 HydrophobicContact CG2-SD 4.16Å
102	C	87.7	Confident	92.4	Very high	105 Å²	105	55.4 Å²	55.4	71%	0.709	29%	0.286	S	S	*	.			trans	-78	122	173.1	-173	0	0	0	0	110.5
103	M	90.5	Very high	92.6	Very high	34 Å²	34	54.5 Å²	54.5	17%	0.167	28%	0.281	C	S	.	.			trans	-89.1	-24.6	177.3	-62.1	-58.2	-56.3	0	0	113	M1 I101 Y359 C361 F405	M1-M103 HydrophobicContact CE-CE 4.32Å; M1-M103 HydrophobicContact CE-SD 4.38Å; M1-M103 HydrophobicContact SD-CE 4.13Å; I101-M103 HydrophobicContact CG2-SD 4.16Å; M103-Y359 WeakPolarHBondContact CB-O 3.29Å; M103-C361 PolarHBondContact O-SG 3.29Å; M103-F405 HydrophobicContact CE-CB 3.67Å; M103-F405 HydrophobicContact CE-CD2 4.08Å; M103-F405 HydrophobicContact CE-CG 4.16Å; M103-F405 HydrophobicContact SD-CB 4.23Å
104	K	91.1	Very high	92.8	Very high	17 Å²	17	59.4 Å²	59.4	7%	0.074	30%	0.303	C	S	.	.			trans	-72.7	148.9	178.9	-61.7	-67.3	-171.2	171.7	0	110.5	L137 H138 P140 C357 P358 C360	K104-L137 WeakPolarHBondContact CD-O 3.32Å; K104-L137 PolarHBondContact NZ-O 3.11Å; K104-H138 WeakPolarHBondContact CA-O 3.25Å; K104-P140 HydrophobicContact CB-CB 4.35Å; K104-P140 HydrophobicContact CB-CG 3.94Å; K104-C357 WeakPolarHBondContact CE-O 3.49Å; K104-C357 PolarHBondContact NZ-O 3.13Å; K104-P358 WeakPolarHBondContact CE-O 3.46Å; K104-P358 WeakPolarHBondContact CG-O 3.38Å; K104-C360 WeakPolarHBondContact CE-O 3.38Å; K104-C360 PolarHBondContact NZ-O 3.35Å
105	S	93.1	Very high	93.1	Very high	16 Å²	16	58.2 Å²	58.2	11%	0.112	30%	0.296	C	S	.	.			trans	-151.7	112.5	-179.8	174.5	0	0	0	0	110.9	K107 K108 A109 H138	S105-K107 PolarHBondContact O-N 3.39Å; S105-K108 PolarHBondContact O-N 3.12Å; S105-K108 PolarHBondContact OG-N 2.98Å; S105-A109 PolarHBondContact O-N 3.3Å; S105-H138 PolarHBondContact N-O 3.42Å
106	S	92.9	Very high	93.4	Very high	49 Å²	49	54.3 Å²	54.3	34%	0.343	28%	0.278	S	S	.	.	H	α-helix	trans	-59	-33	173.5	-51.1	0	0	0	0	112.1	A109 Q110 C155	S106-A109 PolarHBondContact O-N 3.24Å; S106-Q110 WeakPolarHBondContact O-CB 3.44Å; S106-Q110 PolarHBondContact O-N 3.38Å; S106-C155 VanDerWaalsContact CB-SG 3.52Å; S106-C155 PolarHBondContact OG-SG 3.26Å
107	K	94.5	Very high	93.7	Very high	133 Å²	133	56.1 Å²	56.1	58%	0.578	29%	0.287	S	S	*	.	H	α-helix	trans	-65.1	-44.9	176	-173.3	-178	177.6	-172.6	0	111.4	S105 Q110 Y111	S105-K107 PolarHBondContact O-N 3.39Å; K107-Q110 PolarHBondContact O-N 3.48Å; K107-Y111 PolarHBondContact O-N 3.22Å
108	K	94.9	Very high	94	Very high	49 Å²	49	56.2 Å²	56.2	21%	0.213	29%	0.288	C	S	.	.	H	α-helix	trans	-66.5	-42.8	175.2	-70.2	-177.2	179.6	174.2	0	111.6	M1 D2 S105 Q110 Y111 Y112 H138	M1-K108 PolarHBondContact O-NZ 3.19Å; D2-K108 VanDerWaalsContact OD1-CE 3.24Å; D2-K108 WeakPolarHBondContact OD1-CE 3.46Å; D2-K108 IonicContact OD1-NZ 2.91Å; S105-K108 PolarHBondContact O-N 3.12Å; S105-K108 PolarHBondContact OG-N 2.98Å; K108-Q110 VanDerWaalsContact C-N 3.32Å; K108-Q110 PolarHBondContact O-N 3.37Å; K108-Y111 WeakPolarHBondContact O-CB 3.24Å; K108-Y111 PolarHBondContact O-N 3.2Å; K108-Y112 VanDerWaalsContact O-CD2 3.28Å; K108-Y112 WeakPolarHBondContact O-CD2 3.4Å; K108-Y112 PolarHBondContact O-N 3.24Å; K108-H138 HydrophobicContact CB-CB 4.03Å
109	A	96.2	Very high	94.4	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56.6	-46.3	174.7	0	0	0	0	0	111.9	S105 S106 Y111 Y112 R113 H138 A139 E157 L161	S105-A109 PolarHBondContact O-N 3.3Å; S106-A109 PolarHBondContact O-N 3.24Å; A109-Y111 PolarHBondContact O-N 2.84Å; A109-Y112 PolarHBondContact O-N 3.15Å; A109-R113 PolarHBondContact O-N 3.44Å; A109-H138 HydrophobicContact CB-CB 4.29Å; A109-A139 HydrophobicContact CB-CB 3.76Å; A109-E157 HydrophobicContact CB-CB 4.04Å; A109-L161 HydrophobicContact CB-CD1 4.14Å
110	Q	96.5	Very high	94.9	Very high	70 Å²	70	55.2 Å²	55.2	33%	0.327	27%	0.271	S	S	.	.	H	α-helix	trans	-62.3	-41.1	176.1	-178.6	174.8	94.3	0	0	112.7	S106 K107 K108 R113 K114 E157	S106-Q110 WeakPolarHBondContact O-CB 3.44Å; S106-Q110 PolarHBondContact O-N 3.38Å; K107-Q110 PolarHBondContact O-N 3.48Å; K108-Q110 VanDerWaalsContact C-N 3.32Å; K108-Q110 PolarHBondContact O-N 3.37Å; Q110-R113 PolarHBondContact O-N 3.37Å; Q110-K114 HydrophobicContact CG-CD 4.28Å; Q110-K114 WeakPolarHBondContact O-CG 3.34Å; Q110-K114 PolarHBondContact O-N 2.97Å; Q110-K114 VanDerWaalsContact OE1-NZ 3.13Å; Q110-E157 WeakPolarHBondContact CA-OE2 3.24Å; Q110-E157 HydrophobicContact CB-CG 4.28Å; Q110-E157 WeakPolarHBondContact CB-OE1 3.47Å; Q110-E157 PolarHBondContact NE2-OE1 3.44Å
111	Y	97.6	Very high	95.2	Very high	81 Å²	81	58.2 Å²	58.2	32%	0.318	28%	0.28	S	S	.	.	H	α-helix	trans	-57.2	-52.4	175.5	166.9	-94.2	0	0	0	110.9	K107 K108 A109 R113 K114 L115	K107-Y111 PolarHBondContact O-N 3.22Å; K108-Y111 WeakPolarHBondContact O-CB 3.24Å; K108-Y111 PolarHBondContact O-N 3.2Å; A109-Y111 PolarHBondContact O-N 2.84Å; Y111-R113 VanDerWaalsContact C-N 3.31Å; Y111-R113 PolarHBondContact O-N 3Å; Y111-K114 PolarHBondContact O-N 3.11Å; Y111-K114 VanDerWaalsContact O-N 3.13Å; Y111-L115 HydrophobicContact CE1-CD2 4.36Å; Y111-L115 PolarHBondContact O-N 2.93Å
112	Y	98.2	Very high	95.5	Very high	26 Å²	26	62.7 Å²	62.7	10%	0.102	30%	0.299	C	S	.	.	H	α-helix	trans	-65.3	-33.5	179.3	-79.4	-69	0	0	0	112.9	H17 K108 A109 L115 G116 A131 T134 H138	H17-Y112 PolarHBondContact CE1-OH 3.23Å; K108-Y112 VanDerWaalsContact O-CD2 3.28Å; K108-Y112 WeakPolarHBondContact O-CD2 3.4Å; K108-Y112 PolarHBondContact O-N 3.24Å; A109-Y112 PolarHBondContact O-N 3.15Å; Y112-L115 HydrophobicContact CD1-CD2 4.17Å; Y112-L115 HydrophobicContact CE1-CD2 4.47Å; Y112-L115 PolarHBondContact O-N 3.11Å; Y112-G116 PolarHBondContact O-N 3.4Å; Y112-A131 WeakPolarHBondContact CB-O 3.42Å; Y112-T134 HydrophobicContact CD1-CG2 3.72Å; Y112-T134 HydrophobicContact CD2-CG2 3.97Å; Y112-T134 HydrophobicContact CE1-CG2 3.47Å; Y112-T134 VanDerWaalsContact CE1-CG2 3.47Å; Y112-T134 HydrophobicContact CE2-CG2 3.74Å; Y112-T134 HydrophobicContact CG-CG2 3.97Å; Y112-T134 VanDerWaalsContact CZ-CG2 3.48Å; Y112-H138 AromaticContact CD2-CD2 3.63Å; Y112-H138 AromaticContact CE2-CD2 3.5Å; Y112-H138 AromaticContact CE2-NE2 3.56Å
113	R	98.2	Very high	95.6	Very high	37 Å²	37	60.2 Å²	60.2	14%	0.14	29%	0.292	C	S	.	.	H	α-helix	trans	-62.4	-44.6	171.3	-171.3	175.5	51	81.6	-0.5	112.1	A109 Q110 Y111 G116 N117 Y132 E157 L161 N164	A109-R113 PolarHBondContact O-N 3.44Å; Q110-R113 PolarHBondContact O-N 3.37Å; Y111-R113 VanDerWaalsContact C-N 3.31Å; Y111-R113 PolarHBondContact O-N 3Å; R113-G116 PolarHBondContact O-N 2.84Å; R113-N117 PolarHBondContact O-N 2.87Å; R113-N117 PolarHBondContact O-ND2 2.81Å; R113-Y132 HydrophobicContact CG-CE1 4.41Å; R113-Y132 WeakPolarHBondContact O-CE1 3.36Å; R113-E157 IonicContact CZ-OE1 2.67Å; R113-E157 IonicContact CZ-OE2 2.78Å; R113-E157 VanDerWaalsContact CZ-OE2 3.32Å; R113-E157 IonicContact NE-OE1 3.18Å; R113-E157 IonicContact NE-OE2 3.51Å; R113-E157 PolarHBondContact NE-OE2 3.31Å; R113-E157 IonicContact NH2-OE1 3.91Å; R113-E157 PolarHBondContact NH2-OE1 3.01Å; R113-E157 IonicContact NH2-OE2 3.61Å; R113-E157 PolarHBondContact NH2-OE2 3.3Å; R113-E157 VanDerWaalsContact NH2-OE2 3.1Å; R113-L161 HydrophobicContact CB-CD2 3.6Å; R113-L161 HydrophobicContact CB-CG 4.15Å; R113-L161 HydrophobicContact CG-CD2 3.96Å; R113-L161 HydrophobicContact CG-CG 4.34Å; R113-N164 WeakPolarHBondContact CG-ND2 3.43Å
114	K	98.5	Very high	95.6	Very high	105 Å²	105	61.2 Å²	61.2	46%	0.457	30%	0.298	S	S	.	.	H	α-helix	trans	-63.7	-44.4	177.1	-73.3	172.3	178.5	169	0	110.8	Q110 Y111 G116 N117 D118	Q110-K114 HydrophobicContact CG-CD 4.28Å; Q110-K114 WeakPolarHBondContact O-CG 3.34Å; Q110-K114 PolarHBondContact O-N 2.97Å; Q110-K114 VanDerWaalsContact OE1-NZ 3.13Å; Y111-K114 PolarHBondContact O-N 3.11Å; Y111-K114 VanDerWaalsContact O-N 3.13Å; K114-G116 PolarHBondContact O-N 3.03Å; K114-N117 WeakPolarHBondContact O-CB 3.24Å; K114-N117 PolarHBondContact O-N 3.46Å; K114-N117 VanDerWaalsContact O-N 3.16Å; K114-D118 PolarHBondContact O-N 3.32Å
115	L	98.3	Very high	95.6	Very high	46 Å²	46	62.4 Å²	62.4	24%	0.241	31%	0.305	C	S	.	.	H	α-helix	trans	-57.3	-47.2	174.5	-179.3	62.3	0	0	0	111.9	Y111 Y112 N117 D118 Y119 A131	Y111-L115 HydrophobicContact CE1-CD2 4.36Å; Y111-L115 PolarHBondContact O-N 2.93Å; Y112-L115 HydrophobicContact CD1-CD2 4.17Å; Y112-L115 HydrophobicContact CE1-CD2 4.47Å; Y112-L115 PolarHBondContact O-N 3.11Å; L115-N117 VanDerWaalsContact C-N 3.32Å; L115-N117 PolarHBondContact O-N 3.48Å; L115-D118 PolarHBondContact O-N 2.91Å; L115-D118 VanDerWaalsContact O-N 3.12Å; L115-Y119 HydrophobicContact CD1-CD2 4.22Å; L115-Y119 HydrophobicContact CD1-CE2 3.59Å; L115-Y119 HydrophobicContact CD2-CE2 4.1Å; L115-Y119 HydrophobicContact CG-CD2 4.03Å; L115-Y119 HydrophobicContact CG-CE2 3.58Å; L115-Y119 WeakPolarHBondContact O-CD2 3.43Å; L115-Y119 PolarHBondContact O-N 2.67Å; L115-A131 HydrophobicContact CD2-CB 4.47Å; L115-A131 HydrophobicContact CG-CB 4.34Å
116	G	98.2	Very high	95.4	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-63.1	-35.6	176.5	0	0	0	0	0	113.4	Y112 R113 K114 D118 Y119 F120 S128 Y132	Y112-G116 PolarHBondContact O-N 3.4Å; R113-G116 PolarHBondContact O-N 2.84Å; K114-G116 PolarHBondContact O-N 3.03Å; G116-D118 VanDerWaalsContact C-N 3.3Å; G116-D118 PolarHBondContact O-N 2.84Å; G116-Y119 PolarHBondContact O-N 3.44Å; G116-F120 WeakPolarHBondContact O-CB 3.44Å; G116-F120 PolarHBondContact O-N 3.24Å; G116-S128 PolarHBondContact O-OG 2.88Å; G116-Y132 VanDerWaalsContact C-CE1 3.47Å; G116-Y132 VanDerWaalsContact CA-CE1 3.49Å; G116-Y132 PolarHBondContact O-OH 3.4Å
117	N	98.5	Very high	95.3	Very high	42 Å²	42	64.8 Å²	64.8	23%	0.225	32%	0.316	C	S	.	.	H	α-helix	trans	-63.2	-38.4	173.1	-69.1	-30.5	0	0	0	111.6	R113 K114 L115 F120 K121 Y132 N164	R113-N117 PolarHBondContact O-N 2.87Å; R113-N117 PolarHBondContact O-ND2 2.81Å; K114-N117 WeakPolarHBondContact O-CB 3.24Å; K114-N117 PolarHBondContact O-N 3.46Å; K114-N117 VanDerWaalsContact O-N 3.16Å; L115-N117 VanDerWaalsContact C-N 3.32Å; L115-N117 PolarHBondContact O-N 3.48Å; N117-F120 PolarHBondContact O-N 3.02Å; N117-K121 VanDerWaalsContact O-CG 3.29Å; N117-K121 WeakPolarHBondContact O-CG 3.46Å; N117-K121 PolarHBondContact O-N 3.37Å; N117-Y132 WeakPolarHBondContact CA-OH 3.38Å; N117-Y132 PolarHBondContact N-OH 3.42Å; N117-Y132 PolarHBondContact OD1-OH 2.89Å; N117-Y132 VanDerWaalsContact OD1-OH 3.07Å; N117-N164 PolarHBondContact OD1-ND2 3.02Å
118	D	98.3	Very high	95.4	Very high	70 Å²	70	58.5 Å²	58.5	37%	0.374	29%	0.288	S	S	.	.	H	α-helix	trans	-70.8	-40.6	179.8	-66.1	-24.4	0	0	0	111.2	K114 L115 G116 F120 K121 Q122	K114-D118 PolarHBondContact O-N 3.32Å; L115-D118 PolarHBondContact O-N 2.91Å; L115-D118 VanDerWaalsContact O-N 3.12Å; G116-D118 VanDerWaalsContact C-N 3.3Å; G116-D118 PolarHBondContact O-N 2.84Å; D118-F120 VanDerWaalsContact C-N 3.34Å; D118-F120 PolarHBondContact O-N 3.39Å; D118-K121 PolarHBondContact O-N 3.2Å; D118-K121 IonicContact OD1-NZ 3.83Å; D118-K121 PolarHBondContact OD1-NZ 3.45Å; D118-Q122 VanDerWaalsContact O-CG 3.28Å; D118-Q122 WeakPolarHBondContact O-CG 3.26Å; D118-Q122 PolarHBondContact O-N 3.37Å; D118-Q122 PolarHBondContact O-NE2 3.02Å
119	Y	97.4	Very high	95.4	Very high	78 Å²	78	56.4 Å²	56.4	31%	0.306	28%	0.28	S	S	.	.	H	α-helix	trans	-62.9	-38.6	169.8	-71.3	-50.8	0	0	0	112.9	L115 G116 Q122 G123 N124 A127 A131	L115-Y119 HydrophobicContact CD1-CD2 4.22Å; L115-Y119 HydrophobicContact CD1-CE2 3.59Å; L115-Y119 HydrophobicContact CD2-CE2 4.1Å; L115-Y119 HydrophobicContact CG-CD2 4.03Å; L115-Y119 HydrophobicContact CG-CE2 3.58Å; L115-Y119 WeakPolarHBondContact O-CD2 3.43Å; L115-Y119 PolarHBondContact O-N 2.67Å; G116-Y119 PolarHBondContact O-N 3.44Å; Y119-Q122 WeakPolarHBondContact O-CB 3.37Å; Y119-Q122 PolarHBondContact O-N 3.41Å; Y119-Q122 VanDerWaalsContact O-N 3.16Å; Y119-G123 PolarHBondContact O-N 3.34Å; Y119-N124 PolarHBondContact O-N 2.66Å; Y119-A127 HydrophobicContact CD1-CB 3.84Å; Y119-A127 HydrophobicContact CD2-CB 3.79Å; Y119-A127 HydrophobicContact CE1-CB 4.15Å; Y119-A127 HydrophobicContact CE2-CB 4.09Å; Y119-A127 HydrophobicContact CG-CB 3.67Å; Y119-A131 HydrophobicContact CD2-CB 4.29Å
120	F	96	Very high	95.3	Very high	61 Å²	61	58.2 Å²	58.2	27%	0.268	29%	0.292	S	S	.	.	H	α-helix	trans	-61.9	-45	177.5	-170.9	-99.8	0	0	0	111.8	G116 N117 D118 Q122 G123 L125 S128 A167 V168 H171	G116-F120 WeakPolarHBondContact O-CB 3.44Å; G116-F120 PolarHBondContact O-N 3.24Å; N117-F120 PolarHBondContact O-N 3.02Å; D118-F120 VanDerWaalsContact C-N 3.34Å; D118-F120 PolarHBondContact O-N 3.39Å; F120-Q122 PolarHBondContact O-N 3.43Å; F120-G123 PolarHBondContact O-N 2.52Å; F120-L125 HydrophobicContact CD2-CD2 3.94Å; F120-L125 HydrophobicContact CE2-CD2 3.88Å; F120-S128 WeakPolarHBondContact CB-OG 3.18Å; F120-A167 HydrophobicContact CE2-CB 4.35Å; F120-A167 HydrophobicContact CZ-CB 4.29Å; F120-V168 HydrophobicContact CD2-CG2 3.85Å; F120-V168 HydrophobicContact CE2-CG2 4.11Å; F120-H171 AromaticContact CZ-CD2 3.71Å; F120-H171 AromaticContact CZ-NE2 3.64Å
121	K	95.9	Very high	95.3	Very high	158 Å²	158	55.1 Å²	55.1	69%	0.687	28%	0.278	S	S	*	.	H	α-helix	trans	-62.2	-29.9	176	-68.8	166.5	-162.7	158.3	0	112.6	N117 D118	N117-K121 VanDerWaalsContact O-CG 3.29Å; N117-K121 WeakPolarHBondContact O-CG 3.46Å; N117-K121 PolarHBondContact O-N 3.37Å; D118-K121 PolarHBondContact O-N 3.2Å; D118-K121 IonicContact OD1-NZ 3.83Å; D118-K121 PolarHBondContact OD1-NZ 3.45Å
122	Q	93.8	Very high	95.4	Very high	139 Å²	139	51.5 Å²	51.5	65%	0.65	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-4.7	175.9	-66.8	167.3	32.9	0	0	112.9	D118 Y119 F120 N124	D118-Q122 VanDerWaalsContact O-CG 3.28Å; D118-Q122 WeakPolarHBondContact O-CG 3.26Å; D118-Q122 PolarHBondContact O-N 3.37Å; D118-Q122 PolarHBondContact O-NE2 3.02Å; Y119-Q122 WeakPolarHBondContact O-CB 3.37Å; Y119-Q122 PolarHBondContact O-N 3.41Å; Y119-Q122 VanDerWaalsContact O-N 3.16Å; F120-Q122 PolarHBondContact O-N 3.43Å; Q122-N124 PolarHBondContact O-N 2.76Å
123	G	89.8	Confident	95.3	Very high	53 Å²	53	51 Å²	51	55%	0.546	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.2	0.3	-174.8	0	0	0	0	0	114.4	Y119 F120 L125	Y119-G123 PolarHBondContact O-N 3.34Å; F120-G123 PolarHBondContact O-N 2.52Å; G123-L125 VanDerWaalsContact C-N 3.32Å; G123-L125 PolarHBondContact O-N 2.79Å
124	N	90.2	Very high	95.2	Very high	56 Å²	56	50 Å²	50	30%	0.299	26%	0.26	S	S	.	.			trans	-79.9	81.4	177.1	-169.1	-25.8	0	0	0	110.5	Y119 Q122 N126 A127 S128	Y119-N124 PolarHBondContact O-N 2.66Å; Q122-N124 PolarHBondContact O-N 2.76Å; N124-N126 PolarHBondContact O-N 3.38Å; N124-A127 HydrophobicContact CB-CB 4.31Å; N124-A127 VanDerWaalsContact CG-CB 3.46Å; N124-A127 VanDerWaalsContact OD1-CB 3.24Å; N124-A127 WeakPolarHBondContact OD1-CB 3.37Å; N124-A127 PolarHBondContact OD1-N 3.05Å; N124-S128 VanDerWaalsContact O-CB 3.22Å; N124-S128 WeakPolarHBondContact O-CB 3.4Å; N124-S128 PolarHBondContact O-N 2.87Å
125	L	90.6	Very high	95.2	Very high	42 Å²	42	45 Å²	45	22%	0.22	24%	0.238	C	C	.	.	H	α-helix	trans	-62.6	-39.9	-176.4	-63.5	-176.5	0	0	0	112.5	F120 G123 S128 A129 V168 H171 Q172	F120-L125 HydrophobicContact CD2-CD2 3.94Å; F120-L125 HydrophobicContact CE2-CD2 3.88Å; G123-L125 VanDerWaalsContact C-N 3.32Å; G123-L125 PolarHBondContact O-N 2.79Å; L125-S128 WeakPolarHBondContact O-CB 3.26Å; L125-S128 PolarHBondContact O-N 3.2Å; L125-A129 PolarHBondContact O-N 3.45Å; L125-V168 HydrophobicContact CB-CG1 3.87Å; L125-V168 HydrophobicContact CD2-CG1 4.24Å; L125-V168 WeakPolarHBondContact O-CG1 3.24Å; L125-H171 HydrophobicContact CD1-CB 3.79Å; L125-H171 HydrophobicContact CD2-CB 4.22Å; L125-Q172 HydrophobicContact CD1-CG 4.05Å
126	N	88.7	Confident	95.1	Very high	91 Å²	91	42.9 Å²	42.9	49%	0.487	23%	0.227	S	C	.	.	H	α-helix	trans	-66.5	-47.4	-179.2	-71.7	-11.4	0	0	0	111.9	N124 S128 A129 T130 Q172	N124-N126 PolarHBondContact O-N 3.38Å; N126-S128 VanDerWaalsContact C-N 3.28Å; N126-S128 PolarHBondContact O-N 3.48Å; N126-A129 PolarHBondContact O-N 3.42Å; N126-T130 PolarHBondContact O-N 2.96Å; N126-T130 PolarHBondContact O-OG1 3.2Å; N126-T130 VanDerWaalsContact O-OG1 3.13Å; N126-Q172 PolarHBondContact OD1-NE2 3.47Å; N126-Q172 VanDerWaalsContact OD1-NE2 3.13Å
127	A	90.7	Very high	94.9	Very high	24 Å²	24	43.3 Å²	43.3	20%	0.198	23%	0.229	C	C	.	.	H	α-helix	trans	-64.3	-36.3	175.3	0	0	0	0	0	111.8	Y119 N124 T130 A131	Y119-A127 HydrophobicContact CD1-CB 3.84Å; Y119-A127 HydrophobicContact CD2-CB 3.79Å; Y119-A127 HydrophobicContact CE1-CB 4.15Å; Y119-A127 HydrophobicContact CE2-CB 4.09Å; Y119-A127 HydrophobicContact CG-CB 3.67Å; N124-A127 HydrophobicContact CB-CB 4.31Å; N124-A127 VanDerWaalsContact CG-CB 3.46Å; N124-A127 VanDerWaalsContact OD1-CB 3.24Å; N124-A127 WeakPolarHBondContact OD1-CB 3.37Å; N124-A127 PolarHBondContact OD1-N 3.05Å; A127-T130 PolarHBondContact O-N 2.86Å; A127-A131 WeakPolarHBondContact O-CB 3.48Å; A127-A131 PolarHBondContact O-N 3.34Å
128	S	95.9	Very high	94.8	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.7	-50.7	174.4	-173	0	0	0	0	111.9	G116 F120 N124 L125 N126 T130 A131 Y132	G116-S128 PolarHBondContact O-OG 2.88Å; F120-S128 WeakPolarHBondContact CB-OG 3.18Å; N124-S128 VanDerWaalsContact O-CB 3.22Å; N124-S128 WeakPolarHBondContact O-CB 3.4Å; N124-S128 PolarHBondContact O-N 2.87Å; L125-S128 WeakPolarHBondContact O-CB 3.26Å; L125-S128 PolarHBondContact O-N 3.2Å; N126-S128 VanDerWaalsContact C-N 3.28Å; N126-S128 PolarHBondContact O-N 3.48Å; S128-T130 PolarHBondContact O-N 3.49Å; S128-A131 PolarHBondContact O-N 2.77Å; S128-Y132 WeakPolarHBondContact O-CD2 3.47Å; S128-Y132 PolarHBondContact O-N 3.43Å; S128-Y132 WeakPolarHBondContact OG-CE2 3.36Å
129	A	95.8	Very high	94.5	Very high	5 Å²	5	39.4 Å²	39.4	4%	0.041	21%	0.207	C	C	.	.	H	α-helix	trans	-59.8	-45.7	176.1	0	0	0	0	0	112.2	L125 N126 A131 Y132 R133 L165 V168	L125-A129 PolarHBondContact O-N 3.45Å; N126-A129 PolarHBondContact O-N 3.42Å; A129-A131 PolarHBondContact O-N 3.01Å; A129-Y132 PolarHBondContact O-N 3.32Å; A129-R133 WeakPolarHBondContact O-CB 3.01Å; A129-R133 WeakPolarHBondContact O-CG 3.26Å; A129-R133 PolarHBondContact O-N 2.91Å; A129-R133 PolarHBondContact O-NE 3.27Å; A129-L165 HydrophobicContact CB-CD1 3.96Å; A129-V168 HydrophobicContact CB-CG1 4.02Å
130	T	94.3	Very high	94.2	Very high	39 Å²	39	36.9 Å²	36.9	24%	0.239	20%	0.2	C	C	.	.	H	α-helix	trans	-61.4	-42.2	177.3	-62.1	0	0	0	0	111.8	N126 A127 S128 R133 T134 M340	N126-T130 PolarHBondContact O-N 2.96Å; N126-T130 PolarHBondContact O-OG1 3.2Å; N126-T130 VanDerWaalsContact O-OG1 3.13Å; A127-T130 PolarHBondContact O-N 2.86Å; S128-T130 PolarHBondContact O-N 3.49Å; T130-R133 PolarHBondContact O-N 3.15Å; T130-R133 PolarHBondContact OG1-NH2 3.27Å; T130-T134 WeakPolarHBondContact O-CB 3.49Å; T130-T134 PolarHBondContact O-N 3.29Å; T130-T134 PolarHBondContact O-OG1 3.3Å; T130-M340 HydrophobicContact CG2-CE 3.94Å; T130-M340 HydrophobicContact CG2-CG 4.2Å
131	A	97	Very high	93.5	Very high	5 Å²	5	35 Å²	35	4%	0.041	19%	0.193	C	C	.	.	H	α-helix	trans	-63.4	-43.6	175.4	0	0	0	0	0	111.9	Y112 L115 Y119 A127 S128 A129 T134 G135	Y112-A131 WeakPolarHBondContact CB-O 3.42Å; L115-A131 HydrophobicContact CD2-CB 4.47Å; L115-A131 HydrophobicContact CG-CB 4.34Å; Y119-A131 HydrophobicContact CD2-CB 4.29Å; A127-A131 WeakPolarHBondContact O-CB 3.48Å; A127-A131 PolarHBondContact O-N 3.34Å; S128-A131 PolarHBondContact O-N 2.77Å; A129-A131 PolarHBondContact O-N 3.01Å; A131-T134 PolarHBondContact O-N 2.99Å; A131-G135 PolarHBondContact O-N 3.39Å
132	Y	98.3	Very high	93.2	Very high	4 Å²	4	27.5 Å²	27.5	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-65.2	-43.9	176.7	-60.4	-39.6	0	0	0	112.8	R113 G116 N117 S128 A129 T134 G135 L136 L161 N164 L165 V168	R113-Y132 HydrophobicContact CG-CE1 4.41Å; R113-Y132 WeakPolarHBondContact O-CE1 3.36Å; G116-Y132 VanDerWaalsContact C-CE1 3.47Å; G116-Y132 VanDerWaalsContact CA-CE1 3.49Å; G116-Y132 PolarHBondContact O-OH 3.4Å; N117-Y132 WeakPolarHBondContact CA-OH 3.38Å; N117-Y132 PolarHBondContact N-OH 3.42Å; N117-Y132 PolarHBondContact OD1-OH 2.89Å; N117-Y132 VanDerWaalsContact OD1-OH 3.07Å; S128-Y132 WeakPolarHBondContact O-CD2 3.47Å; S128-Y132 PolarHBondContact O-N 3.43Å; S128-Y132 WeakPolarHBondContact OG-CE2 3.36Å; A129-Y132 PolarHBondContact O-N 3.32Å; Y132-T134 VanDerWaalsContact C-N 3.29Å; Y132-T134 PolarHBondContact O-N 3.01Å; Y132-G135 PolarHBondContact O-N 3.46Å; Y132-G135 VanDerWaalsContact O-N 3.13Å; Y132-L136 WeakPolarHBondContact O-CG 3.05Å; Y132-L136 PolarHBondContact O-N 2.72Å; Y132-L161 HydrophobicContact CD1-CD2 4.02Å; Y132-N164 HydrophobicContact CD1-CB 4.01Å; Y132-N164 HydrophobicContact CD2-CB 4.11Å; Y132-N164 HydrophobicContact CE1-CB 3.69Å; Y132-N164 WeakPolarHBondContact CE1-ND2 3.38Å; Y132-N164 HydrophobicContact CE2-CB 3.79Å; Y132-N164 HydrophobicContact CG-CB 4.22Å; Y132-L165 HydrophobicContact CD2-CB 4.32Å; Y132-V168 HydrophobicContact CD2-CG2 3.94Å; Y132-V168 HydrophobicContact CE2-CG2 3.6Å
133	R	97.5	Very high	92.7	Very high	17 Å²	17	22.1 Å²	22.1	6%	0.064	14%	0.135	C	C	.	.	H	α-helix	trans	-60.8	-39.5	175	-68.9	179	-67.2	172.4	-0.4	111.6	A129 T130 L136 L137 L165 M340 N341 L350 V353	A129-R133 WeakPolarHBondContact O-CB 3.01Å; A129-R133 WeakPolarHBondContact O-CG 3.26Å; A129-R133 PolarHBondContact O-N 2.91Å; A129-R133 PolarHBondContact O-NE 3.27Å; T130-R133 PolarHBondContact O-N 3.15Å; T130-R133 PolarHBondContact OG1-NH2 3.27Å; R133-L136 WeakPolarHBondContact O-CB 3.42Å; R133-L136 PolarHBondContact O-N 3.46Å; R133-L137 PolarHBondContact O-N 3.22Å; R133-L165 HydrophobicContact CG-CD1 4.39Å; R133-L165 HydrophobicContact CG-CD2 4Å; R133-M340 HydrophobicContact CB-CB 3.96Å; R133-M340 WeakPolarHBondContact CB-O 3.42Å; R133-M340 VanDerWaalsContact CD-O 3.31Å; R133-M340 WeakPolarHBondContact CD-O 3.1Å; R133-N341 PolarHBondContact NH1-OD1 3.25Å; R133-N341 PolarHBondContact NH2-OD1 3.22Å; R133-L350 WeakPolarHBondContact CD-O 3.4Å; R133-L350 PolarHBondContact NH1-O 2.93Å; R133-V353 HydrophobicContact CB-CG2 4.35Å; R133-V353 HydrophobicContact CG-CG2 3.92Å
134	T	96.5	Very high	91.8	Very high	16 Å²	16	20.1 Å²	20.1	10%	0.098	11%	0.111	C	C	.	.	H	α-helix	trans	-63.3	-42.9	173.3	-51.9	0	0	0	0	111.5	Y112 T130 A131 Y132 L136 L137 H138	Y112-T134 HydrophobicContact CD1-CG2 3.72Å; Y112-T134 HydrophobicContact CD2-CG2 3.97Å; Y112-T134 HydrophobicContact CE1-CG2 3.47Å; Y112-T134 VanDerWaalsContact CE1-CG2 3.47Å; Y112-T134 HydrophobicContact CE2-CG2 3.74Å; Y112-T134 HydrophobicContact CG-CG2 3.97Å; Y112-T134 VanDerWaalsContact CZ-CG2 3.48Å; T130-T134 WeakPolarHBondContact O-CB 3.49Å; T130-T134 PolarHBondContact O-N 3.29Å; T130-T134 PolarHBondContact O-OG1 3.3Å; A131-T134 PolarHBondContact O-N 2.99Å; Y132-T134 VanDerWaalsContact C-N 3.29Å; Y132-T134 PolarHBondContact O-N 3.01Å; T134-L136 VanDerWaalsContact C-N 3.29Å; T134-L136 PolarHBondContact O-N 3.35Å; T134-L137 WeakPolarHBondContact O-CB 3.18Å; T134-L137 PolarHBondContact O-N 2.8Å; T134-H138 PolarHBondContact O-CD2 3.42Å; T134-H138 VanDerWaalsContact O-CD2 3.25Å; T134-H138 PolarHBondContact O-N 3.26Å
135	G	96.9	Very high	90.6	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-58.8	-39.2	174.4	0	0	0	0	0	112.9	A131 Y132 L137 H138 A139 L161	A131-G135 PolarHBondContact O-N 3.39Å; Y132-G135 PolarHBondContact O-N 3.46Å; Y132-G135 VanDerWaalsContact O-N 3.13Å; G135-L137 VanDerWaalsContact C-N 3.32Å; G135-L137 PolarHBondContact O-N 3.3Å; G135-H138 PolarHBondContact O-N 2.89Å; G135-H138 VanDerWaalsContact O-N 3.11Å; G135-A139 PolarHBondContact O-N 2.87Å; G135-L161 WeakPolarHBondContact O-CD1 3.46Å
136	L	96.4	Very high	89.1	Confident	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.109	C	C	.	.	H	α-helix	trans	-63.8	-36.5	178.1	-71.8	171.3	0	0	0	112.1	Y132 R133 T134 H138 A139 A142 L161 L165 V353 V356	Y132-L136 WeakPolarHBondContact O-CG 3.05Å; Y132-L136 PolarHBondContact O-N 2.72Å; R133-L136 WeakPolarHBondContact O-CB 3.42Å; R133-L136 PolarHBondContact O-N 3.46Å; T134-L136 VanDerWaalsContact C-N 3.29Å; T134-L136 PolarHBondContact O-N 3.35Å; L136-H138 PolarHBondContact O-N 2.88Å; L136-A139 PolarHBondContact O-N 2.74Å; L136-A142 HydrophobicContact CD2-CB 3.94Å; L136-L161 HydrophobicContact CD2-CB 3.49Å; L136-L161 VanDerWaalsContact CD2-CB 3.49Å; L136-L161 HydrophobicContact CD2-CD1 4.17Å; L136-L161 HydrophobicContact CD2-CG 4.46Å; L136-L161 HydrophobicContact CG-CB 3.88Å; L136-L161 HydrophobicContact CG-CD1 4.4Å; L136-L165 HydrophobicContact CD1-CD2 4.09Å; L136-V353 HydrophobicContact CD1-CB 4.06Å; L136-V353 HydrophobicContact CD1-CG2 3.98Å; L136-V356 HydrophobicContact CB-CG1 4.33Å
137	L	95.2	Very high	87.2	Confident	9 Å²	9	18.5 Å²	18.5	5%	0.047	11%	0.111	C	C	.	.	H	α-helix	trans	-61.1	-31.7	174	-69.1	-179.6	0	0	0	112.6	K104 R133 T134 G135 R339 M340 V356 C361 A364	K104-L137 WeakPolarHBondContact CD-O 3.32Å; K104-L137 PolarHBondContact NZ-O 3.11Å; R133-L137 PolarHBondContact O-N 3.22Å; T134-L137 WeakPolarHBondContact O-CB 3.18Å; T134-L137 PolarHBondContact O-N 2.8Å; G135-L137 VanDerWaalsContact C-N 3.32Å; G135-L137 PolarHBondContact O-N 3.3Å; L137-R339 HydrophobicContact CD1-CB 4.37Å; L137-M340 HydrophobicContact CD1-CB 3.69Å; L137-M340 HydrophobicContact CG-CB 4.4Å; L137-V356 HydrophobicContact CD2-CG1 4.3Å; L137-C361 WeakPolarHBondContact CB-O 3.5Å; L137-C361 WeakPolarHBondContact CD1-O 3.46Å; L137-C361 WeakPolarHBondContact O-CA 3.4Å; L137-A364 HydrophobicContact CD2-CB 3.86Å
138	H	95	Very high	85.1	Confident	31 Å²	31	23.2 Å²	23.2	14%	0.144	14%	0.138	C	C	.	.	H	α-helix	trans	-89.8	-22.9	179.6	-68.7	-63.7	0	0	0	114.3	K104 S105 K108 A109 Y112 T134 G135 L136 P140 C361	K104-H138 WeakPolarHBondContact CA-O 3.25Å; S105-H138 PolarHBondContact N-O 3.42Å; K108-H138 HydrophobicContact CB-CB 4.03Å; A109-H138 HydrophobicContact CB-CB 4.29Å; Y112-H138 AromaticContact CD2-CD2 3.63Å; Y112-H138 AromaticContact CE2-CD2 3.5Å; Y112-H138 AromaticContact CE2-NE2 3.56Å; T134-H138 PolarHBondContact O-CD2 3.42Å; T134-H138 VanDerWaalsContact O-CD2 3.25Å; T134-H138 PolarHBondContact O-N 3.26Å; G135-H138 PolarHBondContact O-N 2.89Å; G135-H138 VanDerWaalsContact O-N 3.11Å; L136-H138 PolarHBondContact O-N 2.88Å; H138-P140 WeakPolarHBondContact O-CD 3.37Å; H138-C361 PolarHBondContact ND1-SG 2.83Å
139	A	93.7	Very high	83	Confident	0 Å²	0	24.9 Å²	24.9	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	-69.7	126.1	-175.5	0	0	0	0	0	111.2	A109 G135 L136 N141 A142 L161	A109-A139 HydrophobicContact CB-CB 3.76Å; G135-A139 PolarHBondContact O-N 2.87Å; L136-A139 PolarHBondContact O-N 2.74Å; A139-N141 PolarHBondContact O-N 3.28Å; A139-A142 HydrophobicContact CB-CB 3.55Å; A139-L161 HydrophobicContact CB-CD1 4.07Å
140	P	89.5	Confident	80.5	Confident	24 Å²	24	33.4 Å²	33.4	16%	0.156	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	133.8	169.8	-19.3	30.1	0	0	0	110.4	K104 H138 A142 C155	K104-P140 HydrophobicContact CB-CB 4.35Å; K104-P140 HydrophobicContact CB-CG 3.94Å; H138-P140 WeakPolarHBondContact O-CD 3.37Å; P140-A142 VanDerWaalsContact C-N 3.26Å; P140-A142 PolarHBondContact O-N 2.7Å; P140-A142 VanDerWaalsContact O-N 3.17Å; P140-C155 HydrophobicContact CB-CB 4.15Å; P140-C155 HydrophobicContact CG-CB 4.18Å
141	N	82.8	Confident	78.3	Confident	22 Å²	22	39 Å²	39	12%	0.118	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	39.4	172.9	-54.3	-36.3	0	0	0	114.4	A139 Y143 L188	A139-N141 PolarHBondContact O-N 3.28Å; N141-Y143 PolarHBondContact O-N 3.01Å; N141-Y143 VanDerWaalsContact O-N 3.11Å; N141-L188 WeakPolarHBondContact O-CD2 3.39Å
142	A	89.2	Confident	76.4	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.008	23%	0.23	C	C	.	.			trans	-83.2	34	179.4	0	0	0	0	0	114.1	L136 A139 P140 H162 V356	L136-A142 HydrophobicContact CD2-CB 3.94Å; A139-A142 HydrophobicContact CB-CB 3.55Å; P140-A142 VanDerWaalsContact C-N 3.26Å; P140-A142 PolarHBondContact O-N 2.7Å; P140-A142 VanDerWaalsContact O-N 3.17Å; A142-H162 PolarHBondContact O-NE2 3.43Å; A142-V356 HydrophobicContact CB-CG2 4.17Å
143	Y	82.5	Confident	74.4	Confident	26 Å²	26	49.9 Å²	49.9	10%	0.102	27%	0.269	C	S	.	.	S	Bend	trans	-138.1	161.8	178.4	62.4	-87.7	0	0	0	108.9	N141 M145 L188 F355 V356 P358	N141-Y143 PolarHBondContact O-N 3.01Å; N141-Y143 VanDerWaalsContact O-N 3.11Å; Y143-M145 HydrophobicContact CD2-CG 3.88Å; Y143-M145 HydrophobicContact CE2-CG 3.25Å; Y143-M145 HydrophobicContact CE2-SD 3.65Å; Y143-M145 VanDerWaalsContact CZ-SD 3.58Å; Y143-M145 PolarHBondContact O-N 3.22Å; Y143-M145 PolarHBondContact OH-SD 3.32Å; Y143-L188 WeakPolarHBondContact O-CD2 3.43Å; Y143-F355 HydrophobicContact CD1-CE2 4.29Å; Y143-F355 AromaticContact CD2-CD2 3.78Å; Y143-F355 HydrophobicContact CD2-CD2 3.78Å; Y143-F355 AromaticContact CD2-CE2 3.32Å; Y143-F355 HydrophobicContact CD2-CE2 3.32Å; Y143-F355 HydrophobicContact CD2-CZ 4.24Å; Y143-F355 AromaticContact CE2-CE2 3.65Å; Y143-F355 HydrophobicContact CE2-CE2 3.65Å; Y143-F355 HydrophobicContact CE2-CZ 4.26Å; Y143-F355 AromaticContact CG-CD2 3.88Å; Y143-F355 HydrophobicContact CG-CD2 3.88Å; Y143-F355 AromaticContact CG-CE2 3.69Å; Y143-F355 HydrophobicContact CG-CE2 3.69Å; Y143-F355 HydrophobicContact CG-CZ 4.43Å; Y143-V356 HydrophobicContact CD1-CG2 4.06Å; Y143-P358 HydrophobicContact CE1-CB 3.81Å; Y143-P358 HydrophobicContact CE1-CG 4.38Å
144	F	71.8	Confident	72.8	Confident	10 Å²	10	51.3 Å²	51.3	4%	0.044	28%	0.276	C	S	.	.			trans	-64	131.7	178.9	175.6	-91.6	0	0	0	112.3	E187 L236 F388	F144-E187 HydrophobicContact CD2-CB 3.68Å; F144-E187 HydrophobicContact CD2-CG 3.8Å; F144-E187 WeakPolarHBondContact CD2-OE2 3.07Å; F144-E187 HydrophobicContact CE2-CB 4.08Å; F144-E187 HydrophobicContact CE2-CG 3.93Å; F144-L236 HydrophobicContact CE1-CD1 3.8Å; F144-L236 HydrophobicContact CE1-CD2 4.34Å; F144-L236 HydrophobicContact CE2-CD1 4.24Å; F144-L236 HydrophobicContact CZ-CB 4.16Å; F144-L236 HydrophobicContact CZ-CD1 3.57Å; F144-L236 HydrophobicContact CZ-CD2 3.93Å; F144-L236 HydrophobicContact CZ-CG 4.07Å; F144-F388 HydrophobicContact CB-CD1 4.12Å; F144-F388 HydrophobicContact CB-CD2 3.69Å; F144-F388 HydrophobicContact CB-CE1 3.95Å; F144-F388 HydrophobicContact CB-CE2 3.48Å; F144-F388 VanDerWaalsContact CB-CE2 3.48Å; F144-F388 HydrophobicContact CB-CG 3.98Å; F144-F388 HydrophobicContact CB-CZ 3.61Å; F144-F388 HydrophobicContact CD1-CB 3.84Å; F144-F388 HydrophobicContact CD1-CD1 4.49Å; F144-F388 AromaticContact CD1-CD2 3.02Å; F144-F388 HydrophobicContact CD1-CD2 3.02Å; F144-F388 AromaticContact CD1-CE2 3.58Å; F144-F388 HydrophobicContact CD1-CE2 3.58Å; F144-F388 AromaticContact CD1-CG 3.55Å; F144-F388 HydrophobicContact CD1-CG 3.55Å; F144-F388 HydrophobicContact CD1-CZ 4.5Å; F144-F388 AromaticContact CE1-CD2 3.83Å; F144-F388 HydrophobicContact CE1-CD2 3.83Å; F144-F388 HydrophobicContact CE1-CE2 4.48Å; F144-F388 AromaticContact CG-CD2 3.61Å; F144-F388 HydrophobicContact CG-CD2 3.61Å; F144-F388 AromaticContact CG-CE2 3.66Å; F144-F388 HydrophobicContact CG-CE2 3.66Å; F144-F388 HydrophobicContact CG-CG 4.2Å; F144-F388 HydrophobicContact CG-CZ 4.31Å
145	M	64.3	Low	71.7	Confident	32 Å²	32	51.3 Å²	51.3	16%	0.158	28%	0.276	C	S	.	.			trans	-129.9	131.1	167.3	-72.5	178.8	64.6	0	0	109.5	Y143 S147 S149 D152 N191	Y143-M145 HydrophobicContact CD2-CG 3.88Å; Y143-M145 HydrophobicContact CE2-CG 3.25Å; Y143-M145 HydrophobicContact CE2-SD 3.65Å; Y143-M145 VanDerWaalsContact CZ-SD 3.58Å; Y143-M145 PolarHBondContact O-N 3.22Å; Y143-M145 PolarHBondContact OH-SD 3.32Å; M145-S147 PolarHBondContact O-N 2.78Å; M145-S149 WeakPolarHBondContact CE-OG 3.46Å; M145-D152 VanDerWaalsContact CE-OD2 3.28Å; M145-D152 WeakPolarHBondContact CE-OD2 3.23Å; M145-N191 PolarHBondContact O-ND2 2.73Å
146	S	58.4	Low	71.2	Confident	46 Å²	46	54.8 Å²	54.8	32%	0.322	29%	0.294	S	S	.	.			trans	-64.8	132.8	165.6	66.1	0	0	0	0	108.1	T148	S146-T148 PolarHBondContact O-N 3.11Å; S146-T148 PolarHBondContact O-OG1 2.97Å
147	S	50.2	Low	71.1	Confident	78 Å²	78	55.6 Å²	55.6	55%	0.545	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	24.1	-168.4	56.5	0	0	0	0	117	M145	M145-S147 PolarHBondContact O-N 2.78Å
148	T	46.5	Very low	71	Confident	122 Å²	122	55.2 Å²	55.2	75%	0.748	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-8.2	178.2	49.1	0	0	0	0	114.3	S146	S146-T148 PolarHBondContact O-N 3.11Å; S146-T148 PolarHBondContact O-OG1 2.97Å
149	S	50.7	Low	70.8	Confident	35 Å²	35	53.7 Å²	53.7	25%	0.245	29%	0.289	C	S	.	.			trans	-96.6	100.3	170.4	62.7	0	0	0	0	110.7	M145 N151 D152	M145-S149 WeakPolarHBondContact CE-OG 3.46Å; S149-N151 PolarHBondContact O-N 2.76Å; S149-D152 VanDerWaalsContact CB-OD2 3.23Å; S149-D152 WeakPolarHBondContact CB-OD2 3.46Å; S149-D152 PolarHBondContact OG-OD2 3.42Å
150	Q	44.6	Very low	70.9	Confident	185 Å²	185	55.1 Å²	55.1	86%	0.864	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-4.8	-178.5	-70.5	-171.1	-12.9	0	0	114.5
151	N	48.1	Very low	71.3	Confident	157 Å²	157	54 Å²	54	84%	0.84	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.3	4	-168.1	-72.9	-5.9	0	0	0	114.9	S149	S149-N151 PolarHBondContact O-N 2.76Å
152	D	55.7	Low	72	Confident	59 Å²	59	53 Å²	53	32%	0.316	28%	0.284	S	S	.	.			trans	-90.7	126	-178.4	-65.9	-43.5	0	0	0	110.8	M145 S149 F154	M145-D152 VanDerWaalsContact CE-OD2 3.28Å; M145-D152 WeakPolarHBondContact CE-OD2 3.23Å; S149-D152 VanDerWaalsContact CB-OD2 3.23Å; S149-D152 WeakPolarHBondContact CB-OD2 3.46Å; S149-D152 PolarHBondContact OG-OD2 3.42Å; D152-F154 VanDerWaalsContact C-N 3.3Å; D152-F154 HydrophobicContact CB-CE2 4.3Å; D152-F154 HydrophobicContact CB-CZ 4.47Å; D152-F154 VanDerWaalsContact O-CD2 3.24Å; D152-F154 WeakPolarHBondContact O-CD2 3.31Å; D152-F154 PolarHBondContact O-N 3.22Å
153	E	56.8	Low	72.3	Confident	177 Å²	177	53.4 Å²	53.4	83%	0.827	29%	0.288	S	S	*	.			trans	-66.5	91.2	170.2	-166.7	178.2	-177.8	0	0	108.4	C155	E153-C155 PolarHBondContact O-N 3.2Å
154	F	63.6	Low	73.1	Confident	48 Å²	48	53.8 Å²	53.8	21%	0.211	29%	0.291	C	S	.	.			trans	-67	114.6	179.7	-77.7	-78.8	0	0	0	110.2	D152 N191 V192	D152-F154 VanDerWaalsContact C-N 3.3Å; D152-F154 HydrophobicContact CB-CE2 4.3Å; D152-F154 HydrophobicContact CB-CZ 4.47Å; D152-F154 VanDerWaalsContact O-CD2 3.24Å; D152-F154 WeakPolarHBondContact O-CD2 3.31Å; D152-F154 PolarHBondContact O-N 3.22Å; F154-N191 HydrophobicContact CD1-CB 4.42Å; F154-N191 HydrophobicContact CE1-CB 4.34Å; F154-V192 HydrophobicContact CB-CB 4.45Å; F154-V192 HydrophobicContact CB-CG2 3.75Å
155	C	73.6	Confident	74.4	Confident	16 Å²	16	53.3 Å²	53.3	11%	0.108	29%	0.289	C	S	.	.			trans	-88.4	119	-178.8	-170.3	0	0	0	0	111.4	S106 P140 E153 E157 G158	S106-C155 VanDerWaalsContact CB-SG 3.52Å; S106-C155 PolarHBondContact OG-SG 3.26Å; P140-C155 HydrophobicContact CB-CB 4.15Å; P140-C155 HydrophobicContact CG-CB 4.18Å; E153-C155 PolarHBondContact O-N 3.2Å; C155-E157 PolarHBondContact O-N 3.41Å; C155-E157 VanDerWaalsContact O-N 3.07Å; C155-G158 PolarHBondContact O-N 2.9Å
156	L	87.8	Confident	76	Confident	73 Å²	73	51.8 Å²	51.8	38%	0.382	28%	0.282	S	S	.	.	H	α-helix	trans	-55.8	-26.2	175	-174.9	62.6	0	0	0	113.1	G158 A159 L160 V192	L156-G158 VanDerWaalsContact C-N 3.27Å; L156-G158 PolarHBondContact O-N 3.24Å; L156-A159 HydrophobicContact CD1-CB 4.4Å; L156-A159 WeakPolarHBondContact O-CB 3.35Å; L156-A159 PolarHBondContact O-N 2.91Å; L156-A159 VanDerWaalsContact O-N 3.16Å; L156-L160 HydrophobicContact CD2-CD1 4.25Å; L156-L160 HydrophobicContact CG-CD1 4.03Å; L156-L160 HydrophobicContact CG-CG 4.09Å; L156-L160 WeakPolarHBondContact O-CG 3.23Å; L156-L160 PolarHBondContact O-N 2.88Å; L156-V192 HydrophobicContact CB-CG1 4.09Å; L156-V192 HydrophobicContact CD1-CG1 4.07Å
157	E	92.8	Very high	77.9	Confident	17 Å²	17	50.7 Å²	50.7	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-60	-35.8	-178.2	-65.2	-67	158.1	0	0	112.2	A109 Q110 R113 C155 A159 L160 L161	A109-E157 HydrophobicContact CB-CB 4.04Å; Q110-E157 WeakPolarHBondContact CA-OE2 3.24Å; Q110-E157 HydrophobicContact CB-CG 4.28Å; Q110-E157 WeakPolarHBondContact CB-OE1 3.47Å; Q110-E157 PolarHBondContact NE2-OE1 3.44Å; R113-E157 IonicContact CZ-OE1 2.67Å; R113-E157 IonicContact CZ-OE2 2.78Å; R113-E157 VanDerWaalsContact CZ-OE2 3.32Å; R113-E157 IonicContact NE-OE1 3.18Å; R113-E157 IonicContact NE-OE2 3.51Å; R113-E157 PolarHBondContact NE-OE2 3.31Å; R113-E157 IonicContact NH2-OE1 3.91Å; R113-E157 PolarHBondContact NH2-OE1 3.01Å; R113-E157 IonicContact NH2-OE2 3.61Å; R113-E157 PolarHBondContact NH2-OE2 3.3Å; R113-E157 VanDerWaalsContact NH2-OE2 3.1Å; C155-E157 PolarHBondContact O-N 3.41Å; C155-E157 VanDerWaalsContact O-N 3.07Å; E157-A159 PolarHBondContact O-N 2.87Å; E157-L160 PolarHBondContact O-N 3.19Å; E157-L161 VanDerWaalsContact O-CB 3.27Å; E157-L161 WeakPolarHBondContact O-CB 3.21Å; E157-L161 WeakPolarHBondContact O-CD1 3.17Å; E157-L161 WeakPolarHBondContact O-CG 3.43Å; E157-L161 PolarHBondContact O-N 3.28Å
158	G	92.8	Very high	80.1	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-60.7	-45	175.2	0	0	0	0	0	112.5	C155 L156 L161 H162	C155-G158 PolarHBondContact O-N 2.9Å; L156-G158 VanDerWaalsContact C-N 3.27Å; L156-G158 PolarHBondContact O-N 3.24Å; G158-L161 PolarHBondContact O-N 2.89Å; G158-H162 PolarHBondContact O-CD2 3.45Å; G158-H162 VanDerWaalsContact O-CD2 3.28Å; G158-H162 PolarHBondContact O-N 3.22Å
159	A	92.3	Very high	82.5	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-62.9	-44.5	177.3	0	0	0	0	0	111.7	L156 E157 G163 L188	L156-A159 HydrophobicContact CD1-CB 4.4Å; L156-A159 WeakPolarHBondContact O-CB 3.35Å; L156-A159 PolarHBondContact O-N 2.91Å; L156-A159 VanDerWaalsContact O-N 3.16Å; E157-A159 PolarHBondContact O-N 2.87Å; A159-G163 PolarHBondContact O-N 3.06Å; A159-L188 HydrophobicContact CB-CB 3.62Å
160	L	95.4	Very high	84.7	Confident	30 Å²	30	40.3 Å²	40.3	16%	0.157	21%	0.209	C	C	.	.	H	α-helix	trans	-67.1	-37.9	178.8	-65	175.7	0	0	0	112.3	L156 E157 G163 N164	L156-L160 HydrophobicContact CD2-CD1 4.25Å; L156-L160 HydrophobicContact CG-CD1 4.03Å; L156-L160 HydrophobicContact CG-CG 4.09Å; L156-L160 WeakPolarHBondContact O-CG 3.23Å; L156-L160 PolarHBondContact O-N 2.88Å; E157-L160 PolarHBondContact O-N 3.19Å; L160-G163 PolarHBondContact O-N 3.45Å; L160-N164 VanDerWaalsContact O-CB 3.29Å; L160-N164 WeakPolarHBondContact O-CB 3.39Å; L160-N164 VanDerWaalsContact O-CG 3.26Å; L160-N164 PolarHBondContact O-N 3.08Å; L160-N164 PolarHBondContact O-OD1 3.43Å
161	L	97.7	Very high	87	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-66.9	-48	178.4	-79.4	161.8	0	0	0	111.8	A109 R113 Y132 G135 L136 A139 E157 G158 G163 N164 L165	A109-L161 HydrophobicContact CB-CD1 4.14Å; R113-L161 HydrophobicContact CB-CD2 3.6Å; R113-L161 HydrophobicContact CB-CG 4.15Å; R113-L161 HydrophobicContact CG-CD2 3.96Å; R113-L161 HydrophobicContact CG-CG 4.34Å; Y132-L161 HydrophobicContact CD1-CD2 4.02Å; G135-L161 WeakPolarHBondContact O-CD1 3.46Å; L136-L161 HydrophobicContact CD2-CB 3.49Å; L136-L161 VanDerWaalsContact CD2-CB 3.49Å; L136-L161 HydrophobicContact CD2-CD1 4.17Å; L136-L161 HydrophobicContact CD2-CG 4.46Å; L136-L161 HydrophobicContact CG-CB 3.88Å; L136-L161 HydrophobicContact CG-CD1 4.4Å; A139-L161 HydrophobicContact CB-CD1 4.07Å; E157-L161 VanDerWaalsContact O-CB 3.27Å; E157-L161 WeakPolarHBondContact O-CB 3.21Å; E157-L161 WeakPolarHBondContact O-CD1 3.17Å; E157-L161 WeakPolarHBondContact O-CG 3.43Å; E157-L161 PolarHBondContact O-N 3.28Å; G158-L161 PolarHBondContact O-N 2.89Å; L161-G163 VanDerWaalsContact C-N 3.29Å; L161-G163 PolarHBondContact O-N 2.86Å; L161-N164 PolarHBondContact O-N 3.4Å; L161-L165 WeakPolarHBondContact O-CB 3.29Å; L161-L165 PolarHBondContact O-N 3.17Å
162	H	96.5	Very high	89	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.009	16%	0.164	C	C	.	.	H	α-helix	trans	-60.4	-41.1	172.3	-81.1	-64.8	0	0	0	111.8	A142 G158 N164 L165 S166 A185 V353	A142-H162 PolarHBondContact O-NE2 3.43Å; G158-H162 PolarHBondContact O-CD2 3.45Å; G158-H162 VanDerWaalsContact O-CD2 3.28Å; G158-H162 PolarHBondContact O-N 3.22Å; H162-N164 VanDerWaalsContact C-N 3.32Å; H162-N164 PolarHBondContact O-N 3.11Å; H162-L165 PolarHBondContact O-N 3.07Å; H162-S166 PolarHBondContact O-N 3.39Å; H162-S166 PolarHBondContact O-OG 3.13Å; H162-A185 HydrophobicContact CB-CB 3.76Å; H162-V353 PolarHBondContact CE1-O 2.9Å; H162-V353 VanDerWaalsContact CE1-O 3.31Å
163	G	97.2	Very high	90.8	Very high	8 Å²	8	31.3 Å²	31.3	8%	0.082	16%	0.16	C	C	.	.	H	α-helix	trans	-63.6	-35.3	176.1	0	0	0	0	0	113.3	A159 L160 L161 S166 R210	A159-G163 PolarHBondContact O-N 3.06Å; L160-G163 PolarHBondContact O-N 3.45Å; L161-G163 VanDerWaalsContact C-N 3.29Å; L161-G163 PolarHBondContact O-N 2.86Å; G163-S166 WeakPolarHBondContact CA-OG 3.44Å; G163-S166 PolarHBondContact O-OG 3Å; G163-R210 VanDerWaalsContact O-CZ 3.24Å; G163-R210 PolarHBondContact O-NH1 3.35Å; G163-R210 PolarHBondContact O-NH2 2.96Å
164	N	98.4	Very high	92.4	Very high	34 Å²	34	23.9 Å²	23.9	18%	0.182	13%	0.126	C	C	.	.	H	α-helix	trans	-77.1	-41.1	175.3	-81.3	4.5	0	0	0	112.2	R113 N117 Y132 L160 L161 H162 S166 A167 V168	R113-N164 WeakPolarHBondContact CG-ND2 3.43Å; N117-N164 PolarHBondContact OD1-ND2 3.02Å; Y132-N164 HydrophobicContact CD1-CB 4.01Å; Y132-N164 HydrophobicContact CD2-CB 4.11Å; Y132-N164 HydrophobicContact CE1-CB 3.69Å; Y132-N164 WeakPolarHBondContact CE1-ND2 3.38Å; Y132-N164 HydrophobicContact CE2-CB 3.79Å; Y132-N164 HydrophobicContact CG-CB 4.22Å; L160-N164 VanDerWaalsContact O-CB 3.29Å; L160-N164 WeakPolarHBondContact O-CB 3.39Å; L160-N164 VanDerWaalsContact O-CG 3.26Å; L160-N164 PolarHBondContact O-N 3.08Å; L160-N164 PolarHBondContact O-OD1 3.43Å; L161-N164 PolarHBondContact O-N 3.4Å; H162-N164 VanDerWaalsContact C-N 3.32Å; H162-N164 PolarHBondContact O-N 3.11Å; N164-S166 VanDerWaalsContact C-N 3.34Å; N164-S166 PolarHBondContact O-N 3.39Å; N164-A167 VanDerWaalsContact O-CB 3.26Å; N164-A167 WeakPolarHBondContact O-CB 3.41Å; N164-A167 PolarHBondContact O-N 2.61Å; N164-V168 PolarHBondContact O-N 3.27Å
165	L	98.2	Very high	93.8	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-60.7	-43.4	177.3	-179.5	57.2	0	0	0	111.4	A129 Y132 R133 L136 L161 H162 A167 V168 L169	A129-L165 HydrophobicContact CB-CD1 3.96Å; Y132-L165 HydrophobicContact CD2-CB 4.32Å; R133-L165 HydrophobicContact CG-CD1 4.39Å; R133-L165 HydrophobicContact CG-CD2 4Å; L136-L165 HydrophobicContact CD1-CD2 4.09Å; L161-L165 WeakPolarHBondContact O-CB 3.29Å; L161-L165 PolarHBondContact O-N 3.17Å; H162-L165 PolarHBondContact O-N 3.07Å; L165-A167 PolarHBondContact O-N 3.4Å; L165-V168 WeakPolarHBondContact O-CB 3.48Å; L165-V168 PolarHBondContact O-N 2.88Å; L165-V168 VanDerWaalsContact O-N 3.09Å; L165-L169 HydrophobicContact CG-CD1 4.07Å; L165-L169 HydrophobicContact CG-CG 4.47Å; L165-L169 WeakPolarHBondContact O-CG 3.32Å; L165-L169 PolarHBondContact O-N 2.83Å
166	S	98.2	Very high	94.7	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.3	-19.3	173.2	41.4	0	0	0	0	113.4	H162 G163 N164 A170 C178 R210	H162-S166 PolarHBondContact O-N 3.39Å; H162-S166 PolarHBondContact O-OG 3.13Å; G163-S166 WeakPolarHBondContact CA-OG 3.44Å; G163-S166 PolarHBondContact O-OG 3Å; N164-S166 VanDerWaalsContact C-N 3.34Å; N164-S166 PolarHBondContact O-N 3.39Å; S166-A170 WeakPolarHBondContact O-CB 3.5Å; S166-A170 PolarHBondContact O-N 2.91Å; S166-A170 VanDerWaalsContact O-N 3.11Å; S166-C178 PolarHBondContact O-SG 2.77Å; S166-R210 PolarHBondContact O-NH1 3.1Å; S166-R210 PolarHBondContact OG-NH1 3.41Å
167	A	98.2	Very high	95	Very high	24 Å²	24	20.6 Å²	20.6	20%	0.198	11%	0.11	C	C	.	.	H	α-helix	trans	-77.9	-42.8	178.3	0	0	0	0	0	108.9	F120 N164 L165 L169 A170 H171 R210	F120-A167 HydrophobicContact CE2-CB 4.35Å; F120-A167 HydrophobicContact CZ-CB 4.29Å; N164-A167 VanDerWaalsContact O-CB 3.26Å; N164-A167 WeakPolarHBondContact O-CB 3.41Å; N164-A167 PolarHBondContact O-N 2.61Å; L165-A167 PolarHBondContact O-N 3.4Å; A167-L169 VanDerWaalsContact C-N 3.34Å; A167-L169 PolarHBondContact O-N 3.3Å; A167-A170 PolarHBondContact O-N 3.27Å; A167-H171 PolarHBondContact O-CD2 3.06Å; A167-H171 VanDerWaalsContact O-CD2 3.26Å; A167-H171 PolarHBondContact O-N 2.83Å; A167-R210 VanDerWaalsContact CA-NH1 3.27Å
168	V	96.8	Very high	95.2	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-58.3	-47.9	171.8	-172.9	0	0	0	0	110.7	F120 L125 A129 Y132 N164 L165 A170 H171 Q172	F120-V168 HydrophobicContact CD2-CG2 3.85Å; F120-V168 HydrophobicContact CE2-CG2 4.11Å; L125-V168 HydrophobicContact CB-CG1 3.87Å; L125-V168 HydrophobicContact CD2-CG1 4.24Å; L125-V168 WeakPolarHBondContact O-CG1 3.24Å; A129-V168 HydrophobicContact CB-CG1 4.02Å; Y132-V168 HydrophobicContact CD2-CG2 3.94Å; Y132-V168 HydrophobicContact CE2-CG2 3.6Å; N164-V168 PolarHBondContact O-N 3.27Å; L165-V168 WeakPolarHBondContact O-CB 3.48Å; L165-V168 PolarHBondContact O-N 2.88Å; L165-V168 VanDerWaalsContact O-N 3.09Å; V168-A170 VanDerWaalsContact C-N 3.33Å; V168-A170 PolarHBondContact O-N 3.1Å; V168-H171 WeakPolarHBondContact O-CB 3.44Å; V168-H171 PolarHBondContact O-N 3.19Å; V168-H171 VanDerWaalsContact O-N 3.11Å; V168-Q172 HydrophobicContact CG1-CG 4.49Å; V168-Q172 WeakPolarHBondContact O-CG 3.32Å; V168-Q172 PolarHBondContact O-N 3.49Å
169	L	96.4	Very high	95.3	Very high	1 Å²	1	19.8 Å²	19.8	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-62.8	-37.9	-179.5	-64.7	170.1	0	0	0	112.5	L165 A167 Q172 Q173 L174 C178 A181 N351	L165-L169 HydrophobicContact CG-CD1 4.07Å; L165-L169 HydrophobicContact CG-CG 4.47Å; L165-L169 WeakPolarHBondContact O-CG 3.32Å; L165-L169 PolarHBondContact O-N 2.83Å; A167-L169 VanDerWaalsContact C-N 3.34Å; A167-L169 PolarHBondContact O-N 3.3Å; L169-Q172 CarbonylContact O-C 3.45Å; L169-Q172 PolarHBondContact O-N 2.86Å; L169-Q173 PolarHBondContact O-N 3.38Å; L169-L174 HydrophobicContact CB-CB 4.37Å; L169-L174 HydrophobicContact CD2-CB 4.04Å; L169-L174 HydrophobicContact CD2-CD1 3.73Å; L169-L174 PolarHBondContact O-N 3.31Å; L169-C178 HydrophobicContact CB-CB 3.8Å; L169-A181 HydrophobicContact CD1-CB 4.14Å; L169-N351 HydrophobicContact CD2-CB 4.04Å
170	A	96.7	Very high	95.3	Very high	15 Å²	15	20 Å²	20	12%	0.124	11%	0.107	C	C	.	.	H	α-helix	trans	-64.9	-42.2	172.9	0	0	0	0	0	112.1	S166 A167 V168 Q172 Q173 W175	S166-A170 WeakPolarHBondContact O-CB 3.5Å; S166-A170 PolarHBondContact O-N 2.91Å; S166-A170 VanDerWaalsContact O-N 3.11Å; A167-A170 PolarHBondContact O-N 3.27Å; V168-A170 VanDerWaalsContact C-N 3.33Å; V168-A170 PolarHBondContact O-N 3.1Å; A170-Q172 PolarHBondContact O-N 2.89Å; A170-Q173 PolarHBondContact O-N 3.44Å; A170-W175 HydrophobicContact CB-CZ3 4.08Å
171	H	93.5	Very high	95.3	Very high	126 Å²	126	18.5 Å²	18.5	58%	0.583	10%	0.1	S	C	*	.	H	α-helix	trans	-62.2	-33.7	173.8	-88.3	-97.3	0	0	0	112.3	F120 L125 A167 V168 Q173	F120-H171 AromaticContact CZ-CD2 3.71Å; F120-H171 AromaticContact CZ-NE2 3.64Å; L125-H171 HydrophobicContact CD1-CB 3.79Å; L125-H171 HydrophobicContact CD2-CB 4.22Å; A167-H171 PolarHBondContact O-CD2 3.06Å; A167-H171 VanDerWaalsContact O-CD2 3.26Å; A167-H171 PolarHBondContact O-N 2.83Å; V168-H171 WeakPolarHBondContact O-CB 3.44Å; V168-H171 PolarHBondContact O-N 3.19Å; V168-H171 VanDerWaalsContact O-N 3.11Å; H171-Q173 VanDerWaalsContact C-N 3.3Å
172	Q	89.9	Confident	95.2	Very high	40 Å²	40	18.5 Å²	18.5	19%	0.187	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-1.2	174.9	-67.9	175.8	-35	0	0	113.5	L125 N126 V168 L169 A170 L174	L125-Q172 HydrophobicContact CD1-CG 4.05Å; N126-Q172 PolarHBondContact OD1-NE2 3.47Å; N126-Q172 VanDerWaalsContact OD1-NE2 3.13Å; V168-Q172 HydrophobicContact CG1-CG 4.49Å; V168-Q172 WeakPolarHBondContact O-CG 3.32Å; V168-Q172 PolarHBondContact O-N 3.49Å; L169-Q172 CarbonylContact O-C 3.45Å; L169-Q172 PolarHBondContact O-N 2.86Å; A170-Q172 PolarHBondContact O-N 2.89Å; Q172-L174 HydrophobicContact CB-CD1 4.1Å; Q172-L174 HydrophobicContact CB-CG 4.12Å; Q172-L174 PolarHBondContact O-N 3.2Å
173	Q	93	Very high	95	Very high	46 Å²	46	18.4 Å²	18.4	22%	0.215	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	25.1	-176.7	-53	-175.2	36.8	0	0	114.5	L169 A170 H171 W175 T677	L169-Q173 PolarHBondContact O-N 3.38Å; A170-Q173 PolarHBondContact O-N 3.44Å; H171-Q173 VanDerWaalsContact C-N 3.3Å; Q173-W175 HydrophobicContact CB-CZ2 4.06Å; Q173-W175 HydrophobicContact CG-CZ2 3.97Å; Q173-W175 PolarHBondContact O-N 3.21Å; Q173-W175 PolarHBondContact O-NE1 3.33Å; Q173-T677 PolarHBondContact OE1-O 3.47Å
174	L	90.5	Very high	94.7	Very high	22 Å²	22	18.2 Å²	18.2	12%	0.115	10%	0.096	C	C	.	.			trans	-81.7	69	173.3	-70	173.3	0	0	0	109.5	L169 Q172 S176 S177 C178 N351 A674	L169-L174 HydrophobicContact CB-CB 4.37Å; L169-L174 HydrophobicContact CD2-CB 4.04Å; L169-L174 HydrophobicContact CD2-CD1 3.73Å; L169-L174 PolarHBondContact O-N 3.31Å; Q172-L174 HydrophobicContact CB-CD1 4.1Å; Q172-L174 HydrophobicContact CB-CG 4.12Å; Q172-L174 PolarHBondContact O-N 3.2Å; L174-S176 PolarHBondContact O-N 2.8Å; L174-S177 PolarHBondContact O-N 3Å; L174-C178 WeakPolarHBondContact O-CB 3.36Å; L174-C178 PolarHBondContact O-N 3.13Å; L174-N351 HydrophobicContact CD1-CB 4.18Å; L174-A674 HydrophobicContact CD2-CB 3.58Å
175	W	94.8	Very high	94.4	Very high	31 Å²	31	16.6 Å²	16.6	12%	0.117	9%	0.088	C	C	.	.	H	α-helix	trans	-64.2	-36.6	-166.6	-58.2	113.5	0	0	0	114.5	A170 Q173 C178 L179 Q213 H217 L218	A170-W175 HydrophobicContact CB-CZ3 4.08Å; Q173-W175 HydrophobicContact CB-CZ2 4.06Å; Q173-W175 HydrophobicContact CG-CZ2 3.97Å; Q173-W175 PolarHBondContact O-N 3.21Å; Q173-W175 PolarHBondContact O-NE1 3.33Å; W175-C178 PolarHBondContact O-N 2.97Å; W175-L179 WeakPolarHBondContact O-CB 3.46Å; W175-L179 PolarHBondContact O-N 3.29Å; W175-Q213 HydrophobicContact CZ3-CB 4.18Å; W175-H217 HydrophobicContact CB-CB 4.3Å; W175-H217 HydrophobicContact CD2-CB 3.73Å; W175-H217 AromaticContact CD2-CD2 3.83Å; W175-H217 AromaticContact CD2-CG 3.84Å; W175-H217 AromaticContact CE2-CD2 3.45Å; W175-H217 VanDerWaalsContact CE2-CD2 3.45Å; W175-H217 AromaticContact CE2-CG 3.46Å; W175-H217 VanDerWaalsContact CE2-CG 3.46Å; W175-H217 AromaticContact CE2-ND1 3.91Å; W175-H217 AromaticContact CE2-NE2 3.94Å; W175-H217 HydrophobicContact CE3-CB 4.45Å; W175-H217 HydrophobicContact CG-CB 3.61Å; W175-H217 AromaticContact CH2-CD2 3.61Å; W175-H217 AromaticContact CH2-NE2 3.77Å; W175-H217 AromaticContact CZ2-CD2 3.35Å; W175-H217 WeakPolarHBondContact CZ2-CD2 3.13Å; W175-H217 AromaticContact CZ2-CE1 3.87Å; W175-H217 AromaticContact CZ2-CG 3.81Å; W175-H217 AromaticContact CZ2-NE2 3.44Å; W175-H217 WeakPolarHBondContact CZ2-NE2 3.1Å; W175-H217 AromaticContact CZ3-CD2 3.94Å; W175-H217 AromaticContact NE1-CG 3.57Å; W175-H217 AromaticContact NE1-ND1 3.76Å; W175-L218 HydrophobicContact CB-CD1 4.09Å; W175-L218 HydrophobicContact CB-CD2 3.9Å; W175-L218 HydrophobicContact CB-CG 3.79Å
176	S	92.2	Very high	94.1	Very high	36 Å²	36	16.9 Å²	16.9	25%	0.252	9%	0.089	S	C	.	.	H	α-helix	trans	-64.2	-53.4	177.4	50.4	0	0	0	0	111.3	L174 C178 L179 E180	L174-S176 PolarHBondContact O-N 2.8Å; S176-C178 VanDerWaalsContact C-N 3.3Å; S176-C178 PolarHBondContact O-N 3.42Å; S176-L179 WeakPolarHBondContact O-CB 3.47Å; S176-L179 PolarHBondContact O-N 3.28Å; S176-E180 PolarHBondContact O-N 3.1Å
177	S	92.9	Very high	93.5	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.007	9%	0.089	C	C	.	.	H	α-helix	trans	-61.2	-37.9	174.8	-58.5	0	0	0	0	112.2	L174 E180 A181 N351 E367	L174-S177 PolarHBondContact O-N 3Å; S177-E180 PolarHBondContact O-N 2.98Å; S177-A181 WeakPolarHBondContact O-CB 3.25Å; S177-A181 PolarHBondContact O-N 3.42Å; S177-A181 VanDerWaalsContact O-N 3.09Å; S177-N351 WeakPolarHBondContact OG-CB 3.41Å; S177-E367 WeakPolarHBondContact CA-OE1 3.4Å; S177-E367 WeakPolarHBondContact CB-OE1 3.46Å; S177-E367 VanDerWaalsContact OG-CD 3.31Å; S177-E367 PolarHBondContact OG-OE1 3.02Å; S177-E367 PolarHBondContact OG-OE2 2.76Å
178	C	96.9	Very high	93	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-61.3	-45.3	175	-174.1	0	0	0	0	111.2	S166 L169 L174 W175 S176 E180 A181 V182 C214	S166-C178 PolarHBondContact O-SG 2.77Å; L169-C178 HydrophobicContact CB-CB 3.8Å; L174-C178 WeakPolarHBondContact O-CB 3.36Å; L174-C178 PolarHBondContact O-N 3.13Å; W175-C178 PolarHBondContact O-N 2.97Å; S176-C178 VanDerWaalsContact C-N 3.3Å; S176-C178 PolarHBondContact O-N 3.42Å; C178-E180 PolarHBondContact O-N 3.39Å; C178-A181 PolarHBondContact O-N 3.33Å; C178-V182 WeakPolarHBondContact O-CB 3.45Å; C178-V182 VanDerWaalsContact O-CG2 3.25Å; C178-V182 WeakPolarHBondContact O-CG2 3.45Å; C178-V182 PolarHBondContact O-N 3.46Å; C178-C214 PolarHBondContact SG-SG 2.73Å
179	L	95.6	Very high	92.6	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-60.1	-45.2	178.6	-177.8	56.9	0	0	0	111.7	W175 S176 V182 L183 F211 C214 L218 L220 L242 L246	W175-L179 WeakPolarHBondContact O-CB 3.46Å; W175-L179 PolarHBondContact O-N 3.29Å; S176-L179 WeakPolarHBondContact O-CB 3.47Å; S176-L179 PolarHBondContact O-N 3.28Å; L179-V182 PolarHBondContact O-N 2.95Å; L179-L183 HydrophobicContact CD1-CD1 4.03Å; L179-L183 HydrophobicContact CD1-CG 4.16Å; L179-L183 HydrophobicContact CG-CD1 3.9Å; L179-L183 HydrophobicContact CG-CG 4.47Å; L179-L183 WeakPolarHBondContact O-CB 3.37Å; L179-L183 VanDerWaalsContact O-CG 3.29Å; L179-L183 WeakPolarHBondContact O-CG 2.92Å; L179-L183 PolarHBondContact O-N 3.31Å; L179-F211 HydrophobicContact CD1-CD2 3.7Å; L179-F211 HydrophobicContact CD1-CE2 3.85Å; L179-C214 HydrophobicContact CB-CB 3.89Å; L179-C214 HydrophobicContact CD1-CB 4Å; L179-C214 HydrophobicContact CG-CB 4.4Å; L179-L218 HydrophobicContact CB-CD1 4.27Å; L179-L218 HydrophobicContact CD2-CD1 3.92Å; L179-L220 HydrophobicContact CD2-CD1 3.56Å; L179-L242 HydrophobicContact CD1-CD1 4.45Å; L179-L242 HydrophobicContact CD2-CB 4.49Å; L179-L242 HydrophobicContact CD2-CD1 4.45Å; L179-L246 HydrophobicContact CD2-CD1 4.26Å
180	E	91.8	Very high	91.9	Very high	3 Å²	3	17 Å²	17	1%	0.014	9%	0.086	C	C	.	.	H	α-helix	trans	-62.5	-44.7	177.5	-67.9	-158	-146	0	0	112.6	S176 S177 C178 V182 L183 T184 I243 E367 L368 S369	S176-E180 PolarHBondContact O-N 3.1Å; S177-E180 PolarHBondContact O-N 2.98Å; C178-E180 PolarHBondContact O-N 3.39Å; E180-V182 VanDerWaalsContact C-N 3.31Å; E180-V182 PolarHBondContact O-N 3.3Å; E180-L183 PolarHBondContact O-N 2.77Å; E180-T184 WeakPolarHBondContact O-CB 3.21Å; E180-T184 PolarHBondContact O-N 2.88Å; E180-T184 PolarHBondContact O-OG1 3.21Å; E180-I243 HydrophobicContact CG-CD1 3.69Å; E180-E367 HydrophobicContact CB-CG 4.4Å; E180-E367 WeakPolarHBondContact OE1-CB 3.49Å; E180-E367 VanDerWaalsContact OE2-CA 3.25Å; E180-E367 WeakPolarHBondContact OE2-CA 3.23Å; E180-E367 VanDerWaalsContact OE2-CB 3.24Å; E180-E367 WeakPolarHBondContact OE2-CB 3.46Å; E180-L368 PolarHBondContact OE2-N 3.4Å; E180-S369 WeakPolarHBondContact OE1-CA 3.4Å; E180-S369 WeakPolarHBondContact OE1-CB 3.3Å; E180-S369 PolarHBondContact OE1-N 3.17Å; E180-S369 PolarHBondContact OE1-OG 3.06Å
181	A	95	Very high	91	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	9%	0.085	C	C	.	.	H	α-helix	trans	-64	-36.3	175.6	0	0	0	0	0	112	L169 S177 C178 A185	L169-A181 HydrophobicContact CD1-CB 4.14Å; S177-A181 WeakPolarHBondContact O-CB 3.25Å; S177-A181 PolarHBondContact O-N 3.42Å; S177-A181 VanDerWaalsContact O-N 3.09Å; C178-A181 PolarHBondContact O-N 3.33Å; A181-A185 VanDerWaalsContact O-CB 3.22Å; A181-A185 WeakPolarHBondContact O-CB 3.03Å; A181-A185 PolarHBondContact O-N 3.06Å
182	V	95.8	Very high	90	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-66.2	-47.6	174.8	167.9	0	0	0	0	111.4	C178 L179 E180 A185 L186 L207 R210 F211	C178-V182 WeakPolarHBondContact O-CB 3.45Å; C178-V182 VanDerWaalsContact O-CG2 3.25Å; C178-V182 WeakPolarHBondContact O-CG2 3.45Å; C178-V182 PolarHBondContact O-N 3.46Å; L179-V182 PolarHBondContact O-N 2.95Å; E180-V182 VanDerWaalsContact C-N 3.31Å; E180-V182 PolarHBondContact O-N 3.3Å; V182-A185 PolarHBondContact O-N 2.87Å; V182-L186 HydrophobicContact CG1-CD1 3.9Å; V182-L186 HydrophobicContact CG1-CG 4.45Å; V182-L186 WeakPolarHBondContact O-CB 3.23Å; V182-L186 VanDerWaalsContact O-CG 3.31Å; V182-L186 WeakPolarHBondContact O-CG 3.47Å; V182-L186 PolarHBondContact O-N 3.13Å; V182-L207 HydrophobicContact CB-CD2 4.35Å; V182-L207 HydrophobicContact CG1-CB 4.37Å; V182-L207 HydrophobicContact CG1-CD2 4.18Å; V182-L207 HydrophobicContact CG2-CD2 4.12Å; V182-R210 HydrophobicContact CG2-CB 4.02Å; V182-F211 HydrophobicContact CG1-CB 3.86Å; V182-F211 HydrophobicContact CG1-CD2 4.39Å
183	L	92.5	Very high	88.8	Confident	0 Å²	0	12.9 Å²	12.9	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-61.2	-48.2	179.2	-72.6	167.4	0	0	0	110.7	L179 E180 A185 L186 E187 F211 L235 H239 L242	L179-L183 HydrophobicContact CD1-CD1 4.03Å; L179-L183 HydrophobicContact CD1-CG 4.16Å; L179-L183 HydrophobicContact CG-CD1 3.9Å; L179-L183 HydrophobicContact CG-CG 4.47Å; L179-L183 WeakPolarHBondContact O-CB 3.37Å; L179-L183 VanDerWaalsContact O-CG 3.29Å; L179-L183 WeakPolarHBondContact O-CG 2.92Å; L179-L183 PolarHBondContact O-N 3.31Å; E180-L183 PolarHBondContact O-N 2.77Å; L183-A185 PolarHBondContact O-N 2.99Å; L183-L186 PolarHBondContact O-N 3.08Å; L183-E187 WeakPolarHBondContact O-CG 3.24Å; L183-E187 PolarHBondContact O-N 2.69Å; L183-F211 HydrophobicContact CD2-CD2 4.3Å; L183-F211 HydrophobicContact CD2-CE2 3.97Å; L183-L235 HydrophobicContact CD2-CD1 3.93Å; L183-H239 HydrophobicContact CD1-CB 4.33Å; L183-H239 HydrophobicContact CD2-CB 4.39Å; L183-L242 HydrophobicContact CD1-CD1 4.11Å; L183-L242 HydrophobicContact CD2-CD1 4.34Å
184	T	90.5	Very high	87.1	Confident	4 Å²	4	17.6 Å²	17.6	3%	0.025	10%	0.097	C	C	.	.	H	α-helix	trans	-60.7	-43.1	177	-53.5	0	0	0	0	111.6	E180 L186 E187 L188	E180-T184 WeakPolarHBondContact O-CB 3.21Å; E180-T184 PolarHBondContact O-N 2.88Å; E180-T184 PolarHBondContact O-OG1 3.21Å; T184-L186 PolarHBondContact O-N 3.32Å; T184-E187 PolarHBondContact O-N 2.64Å; T184-L188 HydrophobicContact CG2-CD1 4.13Å; T184-L188 WeakPolarHBondContact O-CB 3.29Å; T184-L188 VanDerWaalsContact O-CG 3.29Å; T184-L188 WeakPolarHBondContact O-CG 3.35Å; T184-L188 PolarHBondContact O-N 2.8Å
185	A	92.9	Very high	85.3	Confident	0 Å²	0	20.9 Å²	20.9	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.6	-42	176.5	0	0	0	0	0	112.6	H162 A181 V182 L183 H189 L207	H162-A185 HydrophobicContact CB-CB 3.76Å; A181-A185 VanDerWaalsContact O-CB 3.22Å; A181-A185 WeakPolarHBondContact O-CB 3.03Å; A181-A185 PolarHBondContact O-N 3.06Å; V182-A185 PolarHBondContact O-N 2.87Å; L183-A185 PolarHBondContact O-N 2.99Å; A185-H189 WeakPolarHBondContact O-CB 3.25Å; A185-H189 PolarHBondContact O-CD2 3.48Å; A185-H189 PolarHBondContact O-N 3.32Å; A185-L207 HydrophobicContact CB-CD1 3.86Å; A185-L207 HydrophobicContact CB-CD2 3.78Å
186	L	91.1	Very high	83.1	Confident	5 Å²	5	27.3 Å²	27.3	3%	0.026	15%	0.145	C	C	.	.	H	α-helix	trans	-63.9	-45.1	177.5	-75	167.9	0	0	0	111.3	V182 L183 T184 H189 L190 I204 L207 W226 L235	V182-L186 HydrophobicContact CG1-CD1 3.9Å; V182-L186 HydrophobicContact CG1-CG 4.45Å; V182-L186 WeakPolarHBondContact O-CB 3.23Å; V182-L186 VanDerWaalsContact O-CG 3.31Å; V182-L186 WeakPolarHBondContact O-CG 3.47Å; V182-L186 PolarHBondContact O-N 3.13Å; L183-L186 PolarHBondContact O-N 3.08Å; T184-L186 PolarHBondContact O-N 3.32Å; L186-H189 PolarHBondContact O-N 3.26Å; L186-L190 WeakPolarHBondContact O-CG 3.25Å; L186-L190 PolarHBondContact O-N 3Å; L186-I204 HydrophobicContact CD2-CG2 4.05Å; L186-L207 HydrophobicContact CD2-CB 3.78Å; L186-L207 HydrophobicContact CD2-CD1 3.91Å; L186-L207 HydrophobicContact CD2-CG 4.47Å; L186-L207 HydrophobicContact CG-CB 4.08Å; L186-L207 HydrophobicContact CG-CD1 4.1Å; L186-W226 HydrophobicContact CD1-CH2 3.9Å; L186-W226 HydrophobicContact CD2-CH2 4.37Å; L186-L235 HydrophobicContact CB-CD2 3.59Å
187	E	87.1	Confident	81.1	Confident	1 Å²	1	31 Å²	31	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-61.3	-46	178.2	-69.8	168.4	157	0	0	111.8	F144 L183 T184 H189 L190 N191 L235 H239	F144-E187 HydrophobicContact CD2-CB 3.68Å; F144-E187 HydrophobicContact CD2-CG 3.8Å; F144-E187 WeakPolarHBondContact CD2-OE2 3.07Å; F144-E187 HydrophobicContact CE2-CB 4.08Å; F144-E187 HydrophobicContact CE2-CG 3.93Å; L183-E187 WeakPolarHBondContact O-CG 3.24Å; L183-E187 PolarHBondContact O-N 2.69Å; T184-E187 PolarHBondContact O-N 2.64Å; E187-H189 PolarHBondContact O-N 3.21Å; E187-L190 PolarHBondContact O-N 2.66Å; E187-N191 PolarHBondContact O-N 3.35Å; E187-L235 HydrophobicContact CB-CD2 4.19Å; E187-L235 HydrophobicContact CG-CB 4.46Å; E187-L235 HydrophobicContact CG-CD2 3.38Å; E187-L235 HydrophobicContact CG-CG 3.65Å; E187-H239 VanDerWaalsContact CD-ND1 3.28Å; E187-H239 IonicContact OE1-CE1 3.22Å; E187-H239 IonicContact OE1-CG 3.02Å; E187-H239 IonicContact OE1-ND1 2.79Å; E187-H239 PolarHBondContact OE1-ND1 3.45Å; E187-H239 IonicContact OE2-CE1 3.76Å; E187-H239 IonicContact OE2-ND1 2.66Å; E187-H239 PolarHBondContact OE2-ND1 2.84Å
188	L	87.7	Confident	79.2	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.01	17%	0.168	C	C	.	.	H	α-helix	trans	-63	-40.9	176.3	-70.2	173.2	0	0	0	111.9	N141 Y143 A159 T184 L190 N191 V192	N141-L188 WeakPolarHBondContact O-CD2 3.39Å; Y143-L188 WeakPolarHBondContact O-CD2 3.43Å; A159-L188 HydrophobicContact CB-CB 3.62Å; T184-L188 HydrophobicContact CG2-CD1 4.13Å; T184-L188 WeakPolarHBondContact O-CB 3.29Å; T184-L188 VanDerWaalsContact O-CG 3.29Å; T184-L188 WeakPolarHBondContact O-CG 3.35Å; T184-L188 PolarHBondContact O-N 2.8Å; L188-L190 VanDerWaalsContact C-N 3.34Å; L188-L190 PolarHBondContact O-N 3.25Å; L188-N191 PolarHBondContact O-N 2.97Å; L188-V192 WeakPolarHBondContact O-CB 3.49Å; L188-V192 WeakPolarHBondContact O-CG2 3.43Å; L188-V192 PolarHBondContact O-N 2.99Å
189	H	87.3	Confident	77.3	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.019	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-41	175.1	-89.8	-61.8	0	0	0	112.6	A185 L186 E187 T193	A185-H189 WeakPolarHBondContact O-CB 3.25Å; A185-H189 PolarHBondContact O-CD2 3.48Å; A185-H189 PolarHBondContact O-N 3.32Å; L186-H189 PolarHBondContact O-N 3.26Å; E187-H189 PolarHBondContact O-N 3.21Å; H189-T193 WeakPolarHBondContact O-CB 3.38Å; H189-T193 WeakPolarHBondContact O-CG2 3.22Å; H189-T193 PolarHBondContact O-N 2.72Å; H189-T193 VanDerWaalsContact O-N 3.16Å; H189-T193 PolarHBondContact O-OG1 3.24Å
190	L	82.5	Confident	75.8	Confident	20 Å²	20	42.3 Å²	42.3	11%	0.105	23%	0.229	C	C	.	.	H	α-helix	trans	-64.5	-41.5	177.2	-72	175.9	0	0	0	111.9	L186 E187 L188 C198 L230 L235	L186-L190 WeakPolarHBondContact O-CG 3.25Å; L186-L190 PolarHBondContact O-N 3Å; E187-L190 PolarHBondContact O-N 2.66Å; L188-L190 VanDerWaalsContact C-N 3.34Å; L188-L190 PolarHBondContact O-N 3.25Å; L190-C198 WeakPolarHBondContact CD2-SG 3.47Å; L190-L230 HydrophobicContact CD1-CD2 4.36Å; L190-L230 HydrophobicContact CD1-CG 4.2Å; L190-L235 HydrophobicContact CD1-CB 4.22Å; L190-L235 HydrophobicContact CD1-CD2 3.62Å
191	N	77	Confident	75.2	Confident	18 Å²	18	44.3 Å²	44.3	10%	0.096	24%	0.24	C	C	.	.	H	α-helix	trans	-72.1	-40.7	179.3	-73.3	-9.2	0	0	0	113.1	M145 F154 E187 L188 S232	M145-N191 PolarHBondContact O-ND2 2.73Å; F154-N191 HydrophobicContact CD1-CB 4.42Å; F154-N191 HydrophobicContact CE1-CB 4.34Å; E187-N191 PolarHBondContact O-N 3.35Å; L188-N191 PolarHBondContact O-N 2.97Å; N191-S232 PolarHBondContact OD1-OG 3.4Å; N191-S232 VanDerWaalsContact OD1-OG 3.04Å
192	V	73.6	Confident	74.7	Confident	40 Å²	40	47.8 Å²	47.8	24%	0.242	26%	0.264	C	S	.	.	H	α-helix	trans	-70.2	-42	-177.7	172.2	0	0	0	0	111.8	F154 L156 L188	F154-V192 HydrophobicContact CB-CB 4.45Å; F154-V192 HydrophobicContact CB-CG2 3.75Å; L156-V192 HydrophobicContact CB-CG1 4.09Å; L156-V192 HydrophobicContact CD1-CG1 4.07Å; L188-V192 WeakPolarHBondContact O-CB 3.49Å; L188-V192 WeakPolarHBondContact O-CG2 3.43Å; L188-V192 PolarHBondContact O-N 2.99Å
193	T	63.7	Low	74.4	Confident	37 Å²	37	49.3 Å²	49.3	23%	0.227	27%	0.274	C	S	.	.	H	α-helix	trans	-89.4	-19.3	-163.7	60.2	0	0	0	0	113.9	H189 I195	H189-T193 WeakPolarHBondContact O-CB 3.38Å; H189-T193 WeakPolarHBondContact O-CG2 3.22Å; H189-T193 PolarHBondContact O-N 2.72Å; H189-T193 VanDerWaalsContact O-N 3.16Å; H189-T193 PolarHBondContact O-OG1 3.24Å; T193-I195 HydrophobicContact CG2-CD1 4.25Å; T193-I195 WeakPolarHBondContact O-CG1 3.28Å; T193-I195 PolarHBondContact O-N 3.18Å; T193-I195 PolarHBondContact OG1-N 2.88Å
194	N	57.2	Low	74.2	Confident	146 Å²	146	49.6 Å²	49.6	78%	0.781	28%	0.276	S	S	*	.			trans	48.9	8.2	-165	-80.6	-19.1	0	0	0	113.6	Q196	N194-Q196 PolarHBondContact O-N 3.5Å
195	I	52.4	Low	74.2	Confident	90 Å²	90	52.5 Å²	52.5	46%	0.462	29%	0.291	S	S	.	.			trans	-79.5	99.2	-174.3	-67.9	169.3	0	0	0	106.1	T193 N197	T193-I195 HydrophobicContact CG2-CD1 4.25Å; T193-I195 WeakPolarHBondContact O-CG1 3.28Å; T193-I195 PolarHBondContact O-N 3.18Å; T193-I195 PolarHBondContact OG1-N 2.88Å; I195-N197 HydrophobicContact CG2-CB 4.3Å; I195-N197 VanDerWaalsContact CG2-O 3.25Å; I195-N197 WeakPolarHBondContact CG2-O 3.28Å; I195-N197 PolarHBondContact O-N 3.27Å
196	Q	50	Low	74.3	Confident	166 Å²	166	60 Å²	60	78%	0.776	32%	0.32	S	S	*	.	S	Bend	trans	-58.8	-11	172.4	-67.6	176.4	-13.9	0	0	113.1	N194	N194-Q196 PolarHBondContact O-N 3.5Å
197	N	49.3	Very low	74.5	Confident	114 Å²	114	59.9 Å²	59.9	61%	0.61	32%	0.319	S	S	*	.			trans	-115.5	83.9	179.7	-78.6	-21.8	0	0	0	113	I195 S199	I195-N197 HydrophobicContact CG2-CB 4.3Å; I195-N197 VanDerWaalsContact CG2-O 3.25Å; I195-N197 WeakPolarHBondContact CG2-O 3.28Å; I195-N197 PolarHBondContact O-N 3.27Å; N197-S199 PolarHBondContact O-N 3.49Å
198	C	53.4	Low	74.9	Confident	20 Å²	20	61.2 Å²	61.2	14%	0.135	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-0.7	169.9	-71.3	0	0	0	0	115.6	L190 I204 K208	L190-C198 WeakPolarHBondContact CD2-SG 3.47Å; C198-I204 HydrophobicContact CB-CD1 4.15Å; C198-I204 HydrophobicContact CB-CG2 4.14Å; C198-K208 PolarHBondContact O-NZ 3.27Å
199	S	56	Low	75.3	Confident	63 Å²	63	65.1 Å²	65.1	44%	0.441	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-35.2	-166.6	48.6	0	0	0	0	114.4	N197 N205	N197-S199 PolarHBondContact O-N 3.49Å; S199-N205 PolarHBondContact O-ND2 3.48Å
200	N	64.3	Low	75.8	Confident	155 Å²	155	66.2 Å²	66.2	83%	0.829	35%	0.353	S	S	*	.	S	Bend	trans	-108.5	5.4	-170.8	-73.9	-7.3	0	0	0	115.7
201	N	79.7	Confident	76.5	Confident	46 Å²	46	65.2 Å²	65.2	25%	0.246	35%	0.348	C	S	.	.			trans	-86.5	118	177.7	-171.2	-32.7	0	0	0	110.7	S203 I204 N205	N201-S203 VanDerWaalsContact C-N 3.27Å; N201-S203 PolarHBondContact O-N 3.28Å; N201-S203 WeakPolarHBondContact OD1-CB 3.41Å; N201-S203 PolarHBondContact OD1-N 3.12Å; N201-I204 HydrophobicContact CB-CB 4.08Å; N201-I204 HydrophobicContact CB-CD1 3.78Å; N201-I204 HydrophobicContact CB-CG1 3.79Å; N201-I204 PolarHBondContact O-N 2.94Å; N201-I204 VanDerWaalsContact O-N 3.1Å; N201-N205 PolarHBondContact O-N 2.89Å
202	S	85.6	Confident	77.4	Confident	73 Å²	73	67 Å²	67	51%	0.51	36%	0.357	S	S	.	.	H	α-helix	trans	-59.8	-35.2	-178.7	62.5	0	0	0	0	113.1	N205 R206	S202-N205 PolarHBondContact O-N 3.26Å; S202-R206 WeakPolarHBondContact O-CG 3.49Å; S202-R206 PolarHBondContact O-N 2.94Å; S202-R206 VanDerWaalsContact O-N 3.12Å
203	S	87.7	Confident	78.5	Confident	31 Å²	31	68.8 Å²	68.8	22%	0.217	36%	0.363	C	S	.	.	H	α-helix	trans	-65.3	-43.7	174.9	-61	0	0	0	0	111.4	N201 R206 L207	N201-S203 VanDerWaalsContact C-N 3.27Å; N201-S203 PolarHBondContact O-N 3.28Å; N201-S203 WeakPolarHBondContact OD1-CB 3.41Å; N201-S203 PolarHBondContact OD1-N 3.12Å; S203-R206 PolarHBondContact O-N 3.01Å; S203-L207 WeakPolarHBondContact O-CG 3.45Å; S203-L207 PolarHBondContact O-N 2.96Å
204	I	89.4	Confident	80.1	Confident	6 Å²	6	67 Å²	67	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-64.4	-43.1	177.7	-59.2	-179	0	0	0	109.9	L186 C198 N201 R206 L207 K208	L186-I204 HydrophobicContact CD2-CG2 4.05Å; C198-I204 HydrophobicContact CB-CD1 4.15Å; C198-I204 HydrophobicContact CB-CG2 4.14Å; N201-I204 HydrophobicContact CB-CB 4.08Å; N201-I204 HydrophobicContact CB-CD1 3.78Å; N201-I204 HydrophobicContact CB-CG1 3.79Å; N201-I204 PolarHBondContact O-N 2.94Å; N201-I204 VanDerWaalsContact O-N 3.1Å; I204-R206 VanDerWaalsContact C-N 3.31Å; I204-R206 PolarHBondContact O-N 3.39Å; I204-L207 CarbonylContact O-C 3.59Å; I204-L207 WeakPolarHBondContact O-CA 3.44Å; I204-L207 WeakPolarHBondContact O-CB 3.22Å; I204-L207 PolarHBondContact O-N 3.09Å; I204-K208 HydrophobicContact CG2-CG 4.42Å; I204-K208 WeakPolarHBondContact O-CG 3.11Å; I204-K208 PolarHBondContact O-N 3.2Å
205	N	91.3	Very high	82	Confident	66 Å²	66	60.1 Å²	60.1	35%	0.353	32%	0.315	S	S	.	.	H	α-helix	trans	-60.7	-38.5	177.6	-71.9	-23.1	0	0	0	112.5	S199 N201 S202 L207 K208 T209	S199-N205 PolarHBondContact O-ND2 3.48Å; N201-N205 PolarHBondContact O-N 2.89Å; S202-N205 PolarHBondContact O-N 3.26Å; N205-L207 VanDerWaalsContact C-N 3.32Å; N205-L207 PolarHBondContact O-N 3.32Å; N205-K208 WeakPolarHBondContact O-CB 3.44Å; N205-K208 PolarHBondContact O-N 2.9Å; N205-K208 PolarHBondContact OD1-NZ 3.32Å; N205-T209 PolarHBondContact O-N 2.89Å; N205-T209 VanDerWaalsContact O-N 3.17Å; N205-T209 PolarHBondContact O-OG1 3.46Å
206	R	94.8	Very high	84.1	Confident	157 Å²	157	61.1 Å²	61.1	59%	0.592	32%	0.321	S	S	*	.	H	α-helix	trans	-64.9	-33.8	172.1	-67.3	171.7	-169.6	176.2	2.8	112.9	S202 S203 I204 R210	S202-R206 WeakPolarHBondContact O-CG 3.49Å; S202-R206 PolarHBondContact O-N 2.94Å; S202-R206 VanDerWaalsContact O-N 3.12Å; S203-R206 PolarHBondContact O-N 3.01Å; I204-R206 VanDerWaalsContact C-N 3.31Å; I204-R206 PolarHBondContact O-N 3.39Å; R206-R210 PolarHBondContact O-N 3.42Å; R206-R210 PolarHBondContact O-NE 3.45Å; R206-R210 VanDerWaalsContact O-NE 3.1Å
207	L	95.3	Very high	86.3	Confident	2 Å²	2	58.4 Å²	58.4	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-69.9	-40.7	174.3	-69.4	167	0	0	0	111.3	V182 A185 L186 S203 I204 N205 T209 R210 F211	V182-L207 HydrophobicContact CB-CD2 4.35Å; V182-L207 HydrophobicContact CG1-CB 4.37Å; V182-L207 HydrophobicContact CG1-CD2 4.18Å; V182-L207 HydrophobicContact CG2-CD2 4.12Å; A185-L207 HydrophobicContact CB-CD1 3.86Å; A185-L207 HydrophobicContact CB-CD2 3.78Å; L186-L207 HydrophobicContact CD2-CB 3.78Å; L186-L207 HydrophobicContact CD2-CD1 3.91Å; L186-L207 HydrophobicContact CD2-CG 4.47Å; L186-L207 HydrophobicContact CG-CB 4.08Å; L186-L207 HydrophobicContact CG-CD1 4.1Å; S203-L207 WeakPolarHBondContact O-CG 3.45Å; S203-L207 PolarHBondContact O-N 2.96Å; I204-L207 CarbonylContact O-C 3.59Å; I204-L207 WeakPolarHBondContact O-CA 3.44Å; I204-L207 WeakPolarHBondContact O-CB 3.22Å; I204-L207 PolarHBondContact O-N 3.09Å; N205-L207 VanDerWaalsContact C-N 3.32Å; N205-L207 PolarHBondContact O-N 3.32Å; L207-T209 PolarHBondContact O-N 2.82Å; L207-R210 VanDerWaalsContact CD2-NH2 3.3Å; L207-R210 PolarHBondContact O-N 3.13Å; L207-F211 WeakPolarHBondContact O-CB 3.47Å; L207-F211 PolarHBondContact O-N 3.19Å
208	K	94.6	Very high	88.4	Confident	30 Å²	30	54.2 Å²	54.2	13%	0.13	29%	0.286	C	S	.	.	H	α-helix	trans	-56.7	-48.9	174.9	-64.8	-176.8	-175.7	168.4	0	112	C198 I204 N205 R210 F211 N212 W226	C198-K208 PolarHBondContact O-NZ 3.27Å; I204-K208 HydrophobicContact CG2-CG 4.42Å; I204-K208 WeakPolarHBondContact O-CG 3.11Å; I204-K208 PolarHBondContact O-N 3.2Å; N205-K208 WeakPolarHBondContact O-CB 3.44Å; N205-K208 PolarHBondContact O-N 2.9Å; N205-K208 PolarHBondContact OD1-NZ 3.32Å; K208-R210 VanDerWaalsContact C-N 3.34Å; K208-R210 PolarHBondContact O-N 3.44Å; K208-F211 PolarHBondContact O-N 2.91Å; K208-N212 PolarHBondContact O-N 2.89Å; K208-N212 VanDerWaalsContact O-N 3.12Å; K208-N212 PolarHBondContact O-ND2 3.2Å; K208-W226 HydrophobicContact CB-CD2 4.27Å; K208-W226 HydrophobicContact CB-CH2 4.32Å; K208-W226 HydrophobicContact CB-CZ2 4Å; K208-W226 HydrophobicContact CD-CB 4.5Å; K208-W226 HydrophobicContact CD-CD2 3.73Å; K208-W226 HydrophobicContact CD-CE3 3.64Å; K208-W226 HydrophobicContact CD-CG 4.14Å; K208-W226 HydrophobicContact CD-CZ3 4.11Å; K208-W226 VanDerWaalsContact CE-CE3 3.44Å; K208-W226 HydrophobicContact CG-CD2 3.67Å; K208-W226 HydrophobicContact CG-CE3 3.56Å; K208-W226 HydrophobicContact CG-CG 4.46Å; K208-W226 HydrophobicContact CG-CH2 3.67Å; K208-W226 HydrophobicContact CG-CZ2 3.79Å; K208-W226 HydrophobicContact CG-CZ3 3.56Å
209	T	95.7	Very high	90.3	Very high	83 Å²	83	60.2 Å²	60.2	51%	0.509	32%	0.317	S	S	.	.	H	α-helix	trans	-57.8	-48	178.5	-57.8	0	0	0	0	111.2	N205 L207 N212 Q213	N205-T209 PolarHBondContact O-N 2.89Å; N205-T209 VanDerWaalsContact O-N 3.17Å; N205-T209 PolarHBondContact O-OG1 3.46Å; L207-T209 PolarHBondContact O-N 2.82Å; T209-N212 PolarHBondContact O-N 3.38Å; T209-Q213 WeakPolarHBondContact O-CG 3.29Å; T209-Q213 PolarHBondContact O-N 3.47Å
210	R	97.4	Very high	92.1	Very high	27 Å²	27	57.8 Å²	57.8	10%	0.102	30%	0.299	C	S	.	.	H	α-helix	trans	-70.9	-35.2	-179.5	-74.6	178	-66.2	159.9	0.6	113.6	G163 S166 A167 V182 R206 L207 K208 N212 Q213 C214	G163-R210 VanDerWaalsContact O-CZ 3.24Å; G163-R210 PolarHBondContact O-NH1 3.35Å; G163-R210 PolarHBondContact O-NH2 2.96Å; S166-R210 PolarHBondContact O-NH1 3.1Å; S166-R210 PolarHBondContact OG-NH1 3.41Å; A167-R210 VanDerWaalsContact CA-NH1 3.27Å; V182-R210 HydrophobicContact CG2-CB 4.02Å; R206-R210 PolarHBondContact O-N 3.42Å; R206-R210 PolarHBondContact O-NE 3.45Å; R206-R210 VanDerWaalsContact O-NE 3.1Å; L207-R210 VanDerWaalsContact CD2-NH2 3.3Å; L207-R210 PolarHBondContact O-N 3.13Å; K208-R210 VanDerWaalsContact C-N 3.34Å; K208-R210 PolarHBondContact O-N 3.44Å; R210-N212 VanDerWaalsContact C-N 3.33Å; R210-N212 PolarHBondContact O-N 3.32Å; R210-Q213 WeakPolarHBondContact O-CB 3.49Å; R210-Q213 PolarHBondContact O-N 2.78Å; R210-C214 PolarHBondContact O-N 3.46Å; R210-C214 PolarHBondContact O-SG 3.12Å
211	F	97.4	Very high	93.5	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-55.3	-50.7	172	176.3	-94.6	0	0	0	110.6	L179 V182 L183 L207 K208 Q213 C214 C215 I224 W226 L242	L179-F211 HydrophobicContact CD1-CD2 3.7Å; L179-F211 HydrophobicContact CD1-CE2 3.85Å; V182-F211 HydrophobicContact CG1-CB 3.86Å; V182-F211 HydrophobicContact CG1-CD2 4.39Å; L183-F211 HydrophobicContact CD2-CD2 4.3Å; L183-F211 HydrophobicContact CD2-CE2 3.97Å; L207-F211 WeakPolarHBondContact O-CB 3.47Å; L207-F211 PolarHBondContact O-N 3.19Å; K208-F211 PolarHBondContact O-N 2.91Å; F211-Q213 VanDerWaalsContact C-N 3.34Å; F211-Q213 PolarHBondContact O-N 3.4Å; F211-C214 PolarHBondContact O-N 3.48Å; F211-C215 PolarHBondContact O-N 3.32Å; F211-I224 HydrophobicContact CD1-CD1 4.17Å; F211-I224 HydrophobicContact CD2-CD1 3.99Å; F211-I224 HydrophobicContact CE1-CB 4.1Å; F211-I224 HydrophobicContact CE1-CD1 3.83Å; F211-I224 HydrophobicContact CE1-CG1 3.95Å; F211-I224 HydrophobicContact CE2-CD1 3.64Å; F211-I224 HydrophobicContact CE2-CG1 4.29Å; F211-I224 HydrophobicContact CG-CD1 4.24Å; F211-I224 HydrophobicContact CZ-CB 4.37Å; F211-I224 HydrophobicContact CZ-CD1 3.55Å; F211-I224 HydrophobicContact CZ-CG1 3.73Å; F211-W226 HydrophobicContact CB-CZ2 4.08Å; F211-W226 AromaticContact CD1-CZ2 3.72Å; F211-W226 HydrophobicContact CD1-CZ2 3.72Å; F211-W226 HydrophobicContact CE1-CZ2 4.43Å; F211-W226 AromaticContact CG-CZ2 3.98Å; F211-W226 HydrophobicContact CG-CZ2 3.98Å; F211-L242 HydrophobicContact CE2-CD1 3.68Å; F211-L242 HydrophobicContact CZ-CD1 3.95Å
212	N	96.8	Very high	94	Very high	55 Å²	55	55 Å²	55	29%	0.294	29%	0.29	S	S	.	.	H	α-helix	trans	-63.3	-39.9	178.6	-66.2	-23.6	0	0	0	111.8	K208 T209 R210 C215 N216 W226	K208-N212 PolarHBondContact O-N 2.89Å; K208-N212 VanDerWaalsContact O-N 3.12Å; K208-N212 PolarHBondContact O-ND2 3.2Å; T209-N212 PolarHBondContact O-N 3.38Å; R210-N212 VanDerWaalsContact C-N 3.33Å; R210-N212 PolarHBondContact O-N 3.32Å; N212-C215 PolarHBondContact O-N 3.37Å; N212-N216 WeakPolarHBondContact O-CB 3.39Å; N212-N216 PolarHBondContact O-N 2.91Å; N212-N216 PolarHBondContact O-ND2 3.01Å; N212-N216 PolarHBondContact O-OD1 3.2Å; N212-W226 PolarHBondContact OD1-NE1 3.48Å
213	Q	97.2	Very high	94.3	Very high	78 Å²	78	53.7 Å²	53.7	36%	0.364	28%	0.277	S	S	.	.	H	α-helix	trans	-59.5	-46.6	173.7	-72.9	172.9	-37.9	0	0	111.7	W175 T209 R210 F211 N216 H217	W175-Q213 HydrophobicContact CZ3-CB 4.18Å; T209-Q213 WeakPolarHBondContact O-CG 3.29Å; T209-Q213 PolarHBondContact O-N 3.47Å; R210-Q213 WeakPolarHBondContact O-CB 3.49Å; R210-Q213 PolarHBondContact O-N 2.78Å; F211-Q213 VanDerWaalsContact C-N 3.34Å; F211-Q213 PolarHBondContact O-N 3.4Å; Q213-N216 PolarHBondContact O-N 3.07Å; Q213-H217 PolarHBondContact O-CD2 3.19Å; Q213-H217 VanDerWaalsContact O-CD2 3.22Å; Q213-H217 PolarHBondContact O-N 3.15Å
214	C	97.7	Very high	94.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-61.2	-48.5	178.4	-64.5	0	0	0	0	111.3	C178 L179 R210 F211 N216 H217 L218	C178-C214 PolarHBondContact SG-SG 2.73Å; L179-C214 HydrophobicContact CB-CB 3.89Å; L179-C214 HydrophobicContact CD1-CB 4Å; L179-C214 HydrophobicContact CG-CB 4.4Å; R210-C214 PolarHBondContact O-N 3.46Å; R210-C214 PolarHBondContact O-SG 3.12Å; F211-C214 PolarHBondContact O-N 3.48Å; C214-N216 VanDerWaalsContact C-N 3.3Å; C214-N216 PolarHBondContact O-N 3.23Å; C214-H217 PolarHBondContact O-N 3.15Å; C214-L218 HydrophobicContact CB-CD1 4.35Å; C214-L218 VanDerWaalsContact O-CB 3.26Å; C214-L218 WeakPolarHBondContact O-CB 3.42Å; C214-L218 WeakPolarHBondContact O-CD1 3.47Å; C214-L218 VanDerWaalsContact O-CG 3.29Å; C214-L218 WeakPolarHBondContact O-CG 3.35Å; C214-L218 PolarHBondContact O-N 3.25Å
215	C	96.5	Very high	94.3	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-57.1	-44.1	176.9	-72.6	0	0	0	0	112	F211 N212 N219 L220 T222	F211-C215 PolarHBondContact O-N 3.32Å; N212-C215 PolarHBondContact O-N 3.37Å; C215-N219 CarbonylContact O-C 3.6Å; C215-N219 PolarHBondContact O-N 2.92Å; C215-L220 WeakPolarHBondContact CB-O 3.46Å; C215-L220 PolarHBondContact O-N 2.94Å; C215-T222 HydrophobicContact CB-CG2 3.74Å
216	N	96.4	Very high	94.2	Very high	112 Å²	112	56.2 Å²	56.2	60%	0.599	28%	0.284	S	S	*	.	H	α-helix	trans	-64.3	-47.2	178.7	-68.8	-10.9	0	0	0	112.2	N212 Q213 C214 L218 N219	N212-N216 WeakPolarHBondContact O-CB 3.39Å; N212-N216 PolarHBondContact O-N 2.91Å; N212-N216 PolarHBondContact O-ND2 3.01Å; N212-N216 PolarHBondContact O-OD1 3.2Å; Q213-N216 PolarHBondContact O-N 3.07Å; C214-N216 VanDerWaalsContact C-N 3.3Å; C214-N216 PolarHBondContact O-N 3.23Å; N216-L218 VanDerWaalsContact C-N 3.34Å; N216-L218 PolarHBondContact O-N 3.03Å; N216-N219 PolarHBondContact O-N 2.94Å
217	H	95.3	Very high	93.7	Very high	108 Å²	108	56.3 Å²	56.3	50%	0.5	30%	0.296	S	S	.	.	H	α-helix	trans	-70.8	-28.3	-178.8	-79.8	-71.7	0	0	0	113.6	W175 Q213 C214	W175-H217 HydrophobicContact CB-CB 4.3Å; W175-H217 HydrophobicContact CD2-CB 3.73Å; W175-H217 AromaticContact CD2-CD2 3.83Å; W175-H217 AromaticContact CD2-CG 3.84Å; W175-H217 AromaticContact CE2-CD2 3.45Å; W175-H217 VanDerWaalsContact CE2-CD2 3.45Å; W175-H217 AromaticContact CE2-CG 3.46Å; W175-H217 VanDerWaalsContact CE2-CG 3.46Å; W175-H217 AromaticContact CE2-ND1 3.91Å; W175-H217 AromaticContact CE2-NE2 3.94Å; W175-H217 HydrophobicContact CE3-CB 4.45Å; W175-H217 HydrophobicContact CG-CB 3.61Å; W175-H217 AromaticContact CH2-CD2 3.61Å; W175-H217 AromaticContact CH2-NE2 3.77Å; W175-H217 AromaticContact CZ2-CD2 3.35Å; W175-H217 WeakPolarHBondContact CZ2-CD2 3.13Å; W175-H217 AromaticContact CZ2-CE1 3.87Å; W175-H217 AromaticContact CZ2-CG 3.81Å; W175-H217 AromaticContact CZ2-NE2 3.44Å; W175-H217 WeakPolarHBondContact CZ2-NE2 3.1Å; W175-H217 AromaticContact CZ3-CD2 3.94Å; W175-H217 AromaticContact NE1-CG 3.57Å; W175-H217 AromaticContact NE1-ND1 3.76Å; Q213-H217 PolarHBondContact O-CD2 3.19Å; Q213-H217 VanDerWaalsContact O-CD2 3.22Å; Q213-H217 PolarHBondContact O-N 3.15Å; C214-H217 PolarHBondContact O-N 3.15Å
218	L	93.5	Very high	93.1	Very high	26 Å²	26	59.2 Å²	59.2	14%	0.136	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.8	2.1	177.6	-64	163.7	0	0	0	112.9	W175 L179 C214 N216 L220 L246	W175-L218 HydrophobicContact CB-CD1 4.09Å; W175-L218 HydrophobicContact CB-CD2 3.9Å; W175-L218 HydrophobicContact CB-CG 3.79Å; L179-L218 HydrophobicContact CB-CD1 4.27Å; L179-L218 HydrophobicContact CD2-CD1 3.92Å; C214-L218 HydrophobicContact CB-CD1 4.35Å; C214-L218 VanDerWaalsContact O-CB 3.26Å; C214-L218 WeakPolarHBondContact O-CB 3.42Å; C214-L218 WeakPolarHBondContact O-CD1 3.47Å; C214-L218 VanDerWaalsContact O-CG 3.29Å; C214-L218 WeakPolarHBondContact O-CG 3.35Å; C214-L218 PolarHBondContact O-N 3.25Å; N216-L218 VanDerWaalsContact C-N 3.34Å; N216-L218 PolarHBondContact O-N 3.03Å; L218-L220 HydrophobicContact CB-CD1 3.78Å; L218-L220 HydrophobicContact CB-CG 3.75Å; L218-L220 HydrophobicContact CD1-CD1 3.86Å; L218-L220 HydrophobicContact CG-CD1 4.47Å; L218-L220 PolarHBondContact O-N 2.75Å; L218-L220 VanDerWaalsContact O-N 3.14Å; L218-L246 HydrophobicContact CD1-CD2 4.16Å; L218-L246 HydrophobicContact CD2-CD2 4.25Å
219	N	93.6	Very high	92.5	Very high	147 Å²	147	62.4 Å²	62.4	79%	0.786	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	30.7	-172.2	-59.2	-56.6	0	0	0	114.1	C215 N216	C215-N219 CarbonylContact O-C 3.6Å; C215-N219 PolarHBondContact O-N 2.92Å; N216-N219 PolarHBondContact O-N 2.94Å
220	L	94.4	Very high	91.9	Very high	12 Å²	12	59.4 Å²	59.4	6%	0.063	32%	0.319	C	S	.	.			trans	-89.5	146.7	178.1	-65.1	173.8	0	0	0	110.8	L179 C215 L218 T222 L242 L245 L246	L179-L220 HydrophobicContact CD2-CD1 3.56Å; C215-L220 WeakPolarHBondContact CB-O 3.46Å; C215-L220 PolarHBondContact O-N 2.94Å; L218-L220 HydrophobicContact CB-CD1 3.78Å; L218-L220 HydrophobicContact CB-CG 3.75Å; L218-L220 HydrophobicContact CD1-CD1 3.86Å; L218-L220 HydrophobicContact CG-CD1 4.47Å; L218-L220 PolarHBondContact O-N 2.75Å; L218-L220 VanDerWaalsContact O-N 3.14Å; L220-T222 PolarHBondContact O-N 2.83Å; L220-L242 HydrophobicContact CB-CD2 4.14Å; L220-L242 HydrophobicContact CD1-CD2 4.29Å; L220-L245 HydrophobicContact CD2-CB 3.61Å; L220-L245 HydrophobicContact CD2-CD1 3.93Å; L220-L245 HydrophobicContact CD2-CG 4.42Å; L220-L246 HydrophobicContact CD1-CD2 3.95Å; L220-L246 HydrophobicContact CD1-CG 4.1Å
221	P	93.1	Very high	91.3	Very high	59 Å²	59	61.4 Å²	61.4	38%	0.383	34%	0.335	S	S	.	.			trans	-65	137.4	175.7	27.5	-34.3	0	0	0	111.1	L223 L245	P221-L223 HydrophobicContact CB-CD2 3.98Å; P221-L223 HydrophobicContact CB-CG 4.3Å; P221-L223 HydrophobicContact CG-CD1 4.46Å; P221-L223 HydrophobicContact CG-CD2 4.02Å; P221-L223 HydrophobicContact CG-CG 4.13Å; P221-L223 PolarHBondContact O-N 3.03Å; P221-L223 VanDerWaalsContact O-N 3.12Å; P221-L245 HydrophobicContact CG-CD1 3.96Å
222	T	90.5	Very high	90.4	Very high	82 Å²	82	62.7 Å²	62.7	50%	0.503	34%	0.344	S	S	.	.			trans	-75.2	98.8	169	44	0	0	0	0	109.5	C215 L220	C215-T222 HydrophobicContact CB-CG2 3.74Å; L220-T222 PolarHBondContact O-N 2.83Å
223	L	91.2	Very high	89.7	Confident	46 Å²	46	66.3 Å²	66.3	24%	0.241	36%	0.358	C	S	.	.			trans	-92.3	-8.2	-174.7	-62.1	176.4	0	0	0	114.2	P221 I238 K241 L242	P221-L223 HydrophobicContact CB-CD2 3.98Å; P221-L223 HydrophobicContact CB-CG 4.3Å; P221-L223 HydrophobicContact CG-CD1 4.46Å; P221-L223 HydrophobicContact CG-CD2 4.02Å; P221-L223 HydrophobicContact CG-CG 4.13Å; P221-L223 PolarHBondContact O-N 3.03Å; P221-L223 VanDerWaalsContact O-N 3.12Å; L223-I238 HydrophobicContact CB-CD1 4.37Å; L223-I238 HydrophobicContact CB-CG1 4.04Å; L223-I238 HydrophobicContact CB-CG2 3.85Å; L223-I238 HydrophobicContact CD1-CG2 4.34Å; L223-I238 WeakPolarHBondContact O-CD1 3.33Å; L223-K241 HydrophobicContact CD1-CB 4.12Å; L223-K241 HydrophobicContact CD1-CD 3.63Å; L223-K241 HydrophobicContact CD1-CG 3.87Å; L223-L242 HydrophobicContact CD1-CD2 4Å; L223-L242 HydrophobicContact CD1-CG 4.16Å; L223-L242 HydrophobicContact CG-CD2 4.5Å
224	I	90.4	Very high	89.2	Confident	11 Å²	11	67.1 Å²	67.1	6%	0.056	36%	0.361	C	S	.	.			trans	-95.4	114.7	178.7	-57.8	175	0	0	0	109.3	F211 W226 L230 L235 I238	F211-I224 HydrophobicContact CD1-CD1 4.17Å; F211-I224 HydrophobicContact CD2-CD1 3.99Å; F211-I224 HydrophobicContact CE1-CB 4.1Å; F211-I224 HydrophobicContact CE1-CD1 3.83Å; F211-I224 HydrophobicContact CE1-CG1 3.95Å; F211-I224 HydrophobicContact CE2-CD1 3.64Å; F211-I224 HydrophobicContact CE2-CG1 4.29Å; F211-I224 HydrophobicContact CG-CD1 4.24Å; F211-I224 HydrophobicContact CZ-CB 4.37Å; F211-I224 HydrophobicContact CZ-CD1 3.55Å; F211-I224 HydrophobicContact CZ-CG1 3.73Å; I224-W226 HydrophobicContact CB-CD2 4.39Å; I224-W226 HydrophobicContact CB-CH2 4.36Å; I224-W226 HydrophobicContact CB-CZ2 4.05Å; I224-W226 HydrophobicContact CD1-CH2 3.63Å; I224-W226 HydrophobicContact CD1-CZ2 3.78Å; I224-W226 HydrophobicContact CD1-CZ3 4.36Å; I224-W226 HydrophobicContact CG2-CD2 3.56Å; I224-W226 HydrophobicContact CG2-CE3 3.5Å; I224-W226 VanDerWaalsContact CG2-CE3 3.5Å; I224-W226 HydrophobicContact CG2-CG 4.26Å; I224-W226 HydrophobicContact CG2-CH2 3.79Å; I224-W226 HydrophobicContact CG2-CZ2 3.82Å; I224-W226 HydrophobicContact CG2-CZ3 3.62Å; I224-W226 PolarHBondContact O-N 2.93Å; I224-L230 HydrophobicContact CG2-CD1 4.25Å; I224-L230 HydrophobicContact CG2-CD2 4.18Å; I224-L235 HydrophobicContact CD1-CD1 3.99Å; I224-I238 HydrophobicContact CB-CD1 4.46Å; I224-I238 HydrophobicContact CG1-CD1 3.69Å; I224-I238 HydrophobicContact CG1-CG2 4.01Å
225	D	88.4	Confident	88.7	Confident	90 Å²	90	67.1 Å²	67.1	48%	0.481	36%	0.361	S	S	.	.			trans	-83.1	101	163.9	177.8	11.8	0	0	0	109.7	N227 S228	D225-N227 PolarHBondContact O-N 2.79Å; D225-N227 VanDerWaalsContact O-N 3.17Å; D225-N227 WeakPolarHBondContact OD1-CB 3.48Å; D225-N227 PolarHBondContact OD1-N 3.29Å; D225-S228 PolarHBondContact O-N 2.87Å; D225-S228 PolarHBondContact O-OG 3.43Å
226	W	87.9	Confident	88.1	Confident	56 Å²	56	68.5 Å²	68.5	21%	0.212	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-11.5	-178.5	-62.4	113.3	0	0	0	114.7	L186 K208 F211 N212 I224 L230	L186-W226 HydrophobicContact CD1-CH2 3.9Å; L186-W226 HydrophobicContact CD2-CH2 4.37Å; K208-W226 HydrophobicContact CB-CD2 4.27Å; K208-W226 HydrophobicContact CB-CH2 4.32Å; K208-W226 HydrophobicContact CB-CZ2 4Å; K208-W226 HydrophobicContact CD-CB 4.5Å; K208-W226 HydrophobicContact CD-CD2 3.73Å; K208-W226 HydrophobicContact CD-CE3 3.64Å; K208-W226 HydrophobicContact CD-CG 4.14Å; K208-W226 HydrophobicContact CD-CZ3 4.11Å; K208-W226 VanDerWaalsContact CE-CE3 3.44Å; K208-W226 HydrophobicContact CG-CD2 3.67Å; K208-W226 HydrophobicContact CG-CE3 3.56Å; K208-W226 HydrophobicContact CG-CG 4.46Å; K208-W226 HydrophobicContact CG-CH2 3.67Å; K208-W226 HydrophobicContact CG-CZ2 3.79Å; K208-W226 HydrophobicContact CG-CZ3 3.56Å; F211-W226 HydrophobicContact CB-CZ2 4.08Å; F211-W226 AromaticContact CD1-CZ2 3.72Å; F211-W226 HydrophobicContact CD1-CZ2 3.72Å; F211-W226 HydrophobicContact CE1-CZ2 4.43Å; F211-W226 AromaticContact CG-CZ2 3.98Å; F211-W226 HydrophobicContact CG-CZ2 3.98Å; N212-W226 PolarHBondContact OD1-NE1 3.48Å; I224-W226 HydrophobicContact CB-CD2 4.39Å; I224-W226 HydrophobicContact CB-CH2 4.36Å; I224-W226 HydrophobicContact CB-CZ2 4.05Å; I224-W226 HydrophobicContact CD1-CH2 3.63Å; I224-W226 HydrophobicContact CD1-CZ2 3.78Å; I224-W226 HydrophobicContact CD1-CZ3 4.36Å; I224-W226 HydrophobicContact CG2-CD2 3.56Å; I224-W226 HydrophobicContact CG2-CE3 3.5Å; I224-W226 VanDerWaalsContact CG2-CE3 3.5Å; I224-W226 HydrophobicContact CG2-CG 4.26Å; I224-W226 HydrophobicContact CG2-CH2 3.79Å; I224-W226 HydrophobicContact CG2-CZ2 3.82Å; I224-W226 HydrophobicContact CG2-CZ3 3.62Å; I224-W226 PolarHBondContact O-N 2.93Å; W226-L230 HydrophobicContact CZ3-CD2 3.94Å
227	N	84.2	Confident	87.6	Confident	159 Å²	159	67.2 Å²	67.2	85%	0.85	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-14.6	173.7	-61.1	-45	0	0	0	112.5	D225	D225-N227 PolarHBondContact O-N 2.79Å; D225-N227 VanDerWaalsContact O-N 3.17Å; D225-N227 WeakPolarHBondContact OD1-CB 3.48Å; D225-N227 PolarHBondContact OD1-N 3.29Å
228	S	83	Confident	87.4	Confident	62 Å²	62	62.5 Å²	62.5	43%	0.434	34%	0.337	S	S	.	.	S	Bend	trans	-93.5	158.2	177.6	75.4	0	0	0	0	112	D225 L230	D225-S228 PolarHBondContact O-N 2.87Å; D225-S228 PolarHBondContact O-OG 3.43Å; S228-L230 PolarHBondContact O-N 3.46Å; S228-L230 VanDerWaalsContact O-N 3.12Å
229	T	82	Confident	87.1	Confident	98 Å²	98	61.3 Å²	61.3	60%	0.601	33%	0.331	S	S	*	.			trans	-67.6	109.3	172.3	-55.2	0	0	0	0	109.9	T231	T229-T231 PolarHBondContact O-N 3.1Å
230	L	84.1	Confident	86.6	Confident	19 Å²	19	55.3 Å²	55.3	10%	0.099	30%	0.3	C	S	.	.			trans	-81.4	112.5	175.6	-174.7	64.1	0	0	0	110.3	L190 I224 W226 S228 K234 L235 I238	L190-L230 HydrophobicContact CD1-CD2 4.36Å; L190-L230 HydrophobicContact CD1-CG 4.2Å; I224-L230 HydrophobicContact CG2-CD1 4.25Å; I224-L230 HydrophobicContact CG2-CD2 4.18Å; W226-L230 HydrophobicContact CZ3-CD2 3.94Å; S228-L230 PolarHBondContact O-N 3.46Å; S228-L230 VanDerWaalsContact O-N 3.12Å; L230-K234 HydrophobicContact CD1-CB 4.42Å; L230-K234 HydrophobicContact CD1-CG 4.36Å; L230-L235 HydrophobicContact CD1-CB 4.18Å; L230-L235 HydrophobicContact CD2-CD1 4.37Å; L230-L235 HydrophobicContact CD2-CD2 4.41Å; L230-L235 HydrophobicContact CG-CB 4.39Å; L230-I238 HydrophobicContact CD1-CD1 4.49Å
231	T	83.2	Confident	86.4	Confident	69 Å²	69	60.1 Å²	60.1	42%	0.423	32%	0.32	S	S	.	.			trans	-94.6	157.3	175.7	65.8	0	0	0	0	111.5	T229 H233 K234 L235	T229-T231 PolarHBondContact O-N 3.1Å; T231-H233 PolarHBondContact O-N 3.35Å; T231-K234 PolarHBondContact O-N 2.85Å; T231-K234 VanDerWaalsContact O-N 3.1Å; T231-K234 WeakPolarHBondContact OG1-CB 3.46Å; T231-K234 PolarHBondContact OG1-N 3.08Å; T231-K234 VanDerWaalsContact OG1-N 3.17Å; T231-L235 PolarHBondContact O-N 3.13Å
232	S	79.5	Confident	86.4	Confident	27 Å²	27	57.3 Å²	57.3	19%	0.189	30%	0.302	C	S	.	.	H	α-helix	trans	-56.8	-38.8	175.9	-52.9	0	0	0	0	112.3	N191 L235 L236	N191-S232 PolarHBondContact OD1-OG 3.4Å; N191-S232 VanDerWaalsContact OD1-OG 3.04Å; S232-L235 PolarHBondContact O-N 2.9Å; S232-L236 WeakPolarHBondContact O-CB 3.3Å; S232-L236 PolarHBondContact O-N 3.01Å
233	H	81.8	Confident	86.1	Confident	131 Å²	131	53.6 Å²	53.6	61%	0.606	28%	0.278	S	S	*	.	H	α-helix	trans	-63.4	-45.2	175.4	-173.9	-79.7	0	0	0	111.8	T231 L235 L236 E237	T231-H233 PolarHBondContact O-N 3.35Å; H233-L235 VanDerWaalsContact C-N 3.33Å; H233-L235 PolarHBondContact O-N 3.2Å; H233-L236 PolarHBondContact O-N 2.92Å; H233-E237 IonicContact CE1-OE1 3.83Å; H233-E237 PolarHBondContact CE1-OE1 3.43Å; H233-E237 IonicContact ND1-OE1 3.48Å; H233-E237 PolarHBondContact ND1-OE1 3.45Å; H233-E237 PolarHBondContact O-N 2.86Å; H233-E237 VanDerWaalsContact O-N 3.09Å
234	K	86	Confident	85.9	Confident	95 Å²	95	53.5 Å²	53.5	41%	0.413	28%	0.282	S	S	.	.	H	α-helix	trans	-66.4	-39	-179.4	-173.5	58.2	-178.1	175.9	0	111.8	L230 T231 E237 I238	L230-K234 HydrophobicContact CD1-CB 4.42Å; L230-K234 HydrophobicContact CD1-CG 4.36Å; T231-K234 PolarHBondContact O-N 2.85Å; T231-K234 VanDerWaalsContact O-N 3.1Å; T231-K234 WeakPolarHBondContact OG1-CB 3.46Å; T231-K234 PolarHBondContact OG1-N 3.08Å; T231-K234 VanDerWaalsContact OG1-N 3.17Å; K234-E237 WeakPolarHBondContact CD-OE2 3.27Å; K234-E237 IonicContact NZ-OE2 2.81Å; K234-E237 PolarHBondContact NZ-OE2 3.12Å; K234-E237 PolarHBondContact O-N 2.76Å; K234-I238 HydrophobicContact CG-CD1 4.14Å; K234-I238 VanDerWaalsContact O-CG1 3.31Å; K234-I238 WeakPolarHBondContact O-CG1 3.41Å; K234-I238 PolarHBondContact O-N 3.28Å; K234-I238 VanDerWaalsContact O-N 3.12Å
235	L	87.6	Confident	85.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-64.6	-40.6	175.9	-174.8	55.3	0	0	0	111.5	L183 L186 E187 L190 I224 L230 T231 S232 H233 E237 I238 H239	L183-L235 HydrophobicContact CD2-CD1 3.93Å; L186-L235 HydrophobicContact CB-CD2 3.59Å; E187-L235 HydrophobicContact CB-CD2 4.19Å; E187-L235 HydrophobicContact CG-CB 4.46Å; E187-L235 HydrophobicContact CG-CD2 3.38Å; E187-L235 HydrophobicContact CG-CG 3.65Å; L190-L235 HydrophobicContact CD1-CB 4.22Å; L190-L235 HydrophobicContact CD1-CD2 3.62Å; I224-L235 HydrophobicContact CD1-CD1 3.99Å; L230-L235 HydrophobicContact CD1-CB 4.18Å; L230-L235 HydrophobicContact CD2-CD1 4.37Å; L230-L235 HydrophobicContact CD2-CD2 4.41Å; L230-L235 HydrophobicContact CG-CB 4.39Å; T231-L235 PolarHBondContact O-N 3.13Å; S232-L235 PolarHBondContact O-N 2.9Å; H233-L235 VanDerWaalsContact C-N 3.33Å; H233-L235 PolarHBondContact O-N 3.2Å; L235-E237 PolarHBondContact O-N 3.23Å; L235-I238 PolarHBondContact O-N 3.02Å; L235-H239 VanDerWaalsContact O-CB 3.3Å; L235-H239 WeakPolarHBondContact O-CB 3.39Å; L235-H239 PolarHBondContact O-N 2.73Å
236	L	83.3	Confident	85.6	Confident	30 Å²	30	51.5 Å²	51.5	16%	0.157	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-43.8	174.9	177	62	0	0	0	112.4	F144 S232 H233 I238 H239 T240 L387	F144-L236 HydrophobicContact CE1-CD1 3.8Å; F144-L236 HydrophobicContact CE1-CD2 4.34Å; F144-L236 HydrophobicContact CE2-CD1 4.24Å; F144-L236 HydrophobicContact CZ-CB 4.16Å; F144-L236 HydrophobicContact CZ-CD1 3.57Å; F144-L236 HydrophobicContact CZ-CD2 3.93Å; F144-L236 HydrophobicContact CZ-CG 4.07Å; S232-L236 WeakPolarHBondContact O-CB 3.3Å; S232-L236 PolarHBondContact O-N 3.01Å; H233-L236 PolarHBondContact O-N 2.92Å; L236-I238 VanDerWaalsContact C-N 3.3Å; L236-I238 PolarHBondContact O-N 3.16Å; L236-H239 PolarHBondContact O-N 2.67Å; L236-T240 VanDerWaalsContact O-CB 3.28Å; L236-T240 WeakPolarHBondContact O-CB 3.33Å; L236-T240 PolarHBondContact O-N 2.9Å; L236-T240 PolarHBondContact O-OG1 3.3Å; L236-L387 HydrophobicContact CD1-CD1 4.16Å
237	E	86.6	Confident	85.2	Confident	85 Å²	85	49.9 Å²	49.9	40%	0.397	27%	0.266	S	S	.	.	H	α-helix	trans	-58.5	-43.9	174.5	-72.5	176.5	-174	0	0	111.8	H233 K234 L235 K241	H233-E237 IonicContact CE1-OE1 3.83Å; H233-E237 PolarHBondContact CE1-OE1 3.43Å; H233-E237 IonicContact ND1-OE1 3.48Å; H233-E237 PolarHBondContact ND1-OE1 3.45Å; H233-E237 PolarHBondContact O-N 2.86Å; H233-E237 VanDerWaalsContact O-N 3.09Å; K234-E237 WeakPolarHBondContact CD-OE2 3.27Å; K234-E237 IonicContact NZ-OE2 2.81Å; K234-E237 PolarHBondContact NZ-OE2 3.12Å; K234-E237 PolarHBondContact O-N 2.76Å; L235-E237 PolarHBondContact O-N 3.23Å; E237-K241 WeakPolarHBondContact O-CB 3.24Å; E237-K241 PolarHBondContact O-N 3.2Å
238	I	90.4	Very high	85	Confident	8 Å²	8	46.3 Å²	46.3	4%	0.041	25%	0.247	C	C	.	.	H	α-helix	trans	-66.3	-47.6	179.7	-70	169.6	0	0	0	110.3	L223 I224 L230 K234 L235 L236 T240 K241 L242	L223-I238 HydrophobicContact CB-CD1 4.37Å; L223-I238 HydrophobicContact CB-CG1 4.04Å; L223-I238 HydrophobicContact CB-CG2 3.85Å; L223-I238 HydrophobicContact CD1-CG2 4.34Å; L223-I238 WeakPolarHBondContact O-CD1 3.33Å; I224-I238 HydrophobicContact CB-CD1 4.46Å; I224-I238 HydrophobicContact CG1-CD1 3.69Å; I224-I238 HydrophobicContact CG1-CG2 4.01Å; L230-I238 HydrophobicContact CD1-CD1 4.49Å; K234-I238 HydrophobicContact CG-CD1 4.14Å; K234-I238 VanDerWaalsContact O-CG1 3.31Å; K234-I238 WeakPolarHBondContact O-CG1 3.41Å; K234-I238 PolarHBondContact O-N 3.28Å; K234-I238 VanDerWaalsContact O-N 3.12Å; L235-I238 PolarHBondContact O-N 3.02Å; L236-I238 VanDerWaalsContact C-N 3.3Å; L236-I238 PolarHBondContact O-N 3.16Å; I238-T240 PolarHBondContact O-N 2.98Å; I238-K241 PolarHBondContact O-N 3Å; I238-L242 HydrophobicContact CG2-CD1 3.75Å; I238-L242 HydrophobicContact CG2-CG 4.27Å; I238-L242 WeakPolarHBondContact O-CG 3.3Å; I238-L242 PolarHBondContact O-N 2.83Å
239	H	88.1	Confident	84.7	Confident	1 Å²	1	47.4 Å²	47.4	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-55.5	-52.4	177.3	-173	172.9	0	0	0	110	L183 E187 L235 L236 K241 L242 I243	L183-H239 HydrophobicContact CD1-CB 4.33Å; L183-H239 HydrophobicContact CD2-CB 4.39Å; E187-H239 VanDerWaalsContact CD-ND1 3.28Å; E187-H239 IonicContact OE1-CE1 3.22Å; E187-H239 IonicContact OE1-CG 3.02Å; E187-H239 IonicContact OE1-ND1 2.79Å; E187-H239 PolarHBondContact OE1-ND1 3.45Å; E187-H239 IonicContact OE2-CE1 3.76Å; E187-H239 IonicContact OE2-ND1 2.66Å; E187-H239 PolarHBondContact OE2-ND1 2.84Å; L235-H239 VanDerWaalsContact O-CB 3.3Å; L235-H239 WeakPolarHBondContact O-CB 3.39Å; L235-H239 PolarHBondContact O-N 2.73Å; L236-H239 PolarHBondContact O-N 2.67Å; H239-K241 VanDerWaalsContact C-N 3.32Å; H239-K241 PolarHBondContact O-N 2.65Å; H239-L242 PolarHBondContact O-N 3.43Å; H239-I243 VanDerWaalsContact CD2-CG1 3.43Å; H239-I243 WeakPolarHBondContact CD2-CG1 3.28Å; H239-I243 VanDerWaalsContact O-CG1 3.3Å; H239-I243 WeakPolarHBondContact O-CG1 3.24Å; H239-I243 PolarHBondContact O-N 2.69Å
240	T	83.9	Confident	84.1	Confident	22 Å²	22	45 Å²	45	14%	0.135	23%	0.229	C	C	.	.	H	α-helix	trans	-52.1	-48.4	175.6	-59.9	0	0	0	0	112.6	L236 I238 S244 P384 L387	L236-T240 VanDerWaalsContact O-CB 3.28Å; L236-T240 WeakPolarHBondContact O-CB 3.33Å; L236-T240 PolarHBondContact O-N 2.9Å; L236-T240 PolarHBondContact O-OG1 3.3Å; I238-T240 PolarHBondContact O-N 2.98Å; T240-S244 PolarHBondContact O-N 3.21Å; T240-P384 HydrophobicContact CG2-CB 3.81Å; T240-P384 HydrophobicContact CG2-CG 4.34Å; T240-P384 WeakPolarHBondContact CG2-O 3.42Å; T240-P384 PolarHBondContact OG1-O 2.85Å; T240-L387 WeakPolarHBondContact OG1-CD1 3.45Å
241	K	90.2	Very high	83.3	Confident	113 Å²	113	50.7 Å²	50.7	49%	0.491	25%	0.253	S	S	.	.	H	α-helix	trans	-65.3	-44.4	-180	-175.4	168.1	171.6	-174.2	0	111.8	L223 E237 I238 H239 S244 L245	L223-K241 HydrophobicContact CD1-CB 4.12Å; L223-K241 HydrophobicContact CD1-CD 3.63Å; L223-K241 HydrophobicContact CD1-CG 3.87Å; E237-K241 WeakPolarHBondContact O-CB 3.24Å; E237-K241 PolarHBondContact O-N 3.2Å; I238-K241 PolarHBondContact O-N 3Å; H239-K241 VanDerWaalsContact C-N 3.32Å; H239-K241 PolarHBondContact O-N 2.65Å; K241-S244 PolarHBondContact O-N 3.46Å; K241-S244 PolarHBondContact O-OG 3.38Å; K241-L245 WeakPolarHBondContact O-CG 3.48Å; K241-L245 PolarHBondContact O-N 3.21Å
242	L	91.2	Very high	82.1	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-65	-42.1	179.4	-68.3	172.6	0	0	0	112	L179 L183 F211 L220 L223 I238 H239 S244 L245 L246	L179-L242 HydrophobicContact CD1-CD1 4.45Å; L179-L242 HydrophobicContact CD2-CB 4.49Å; L179-L242 HydrophobicContact CD2-CD1 4.45Å; L183-L242 HydrophobicContact CD1-CD1 4.11Å; L183-L242 HydrophobicContact CD2-CD1 4.34Å; F211-L242 HydrophobicContact CE2-CD1 3.68Å; F211-L242 HydrophobicContact CZ-CD1 3.95Å; L220-L242 HydrophobicContact CB-CD2 4.14Å; L220-L242 HydrophobicContact CD1-CD2 4.29Å; L223-L242 HydrophobicContact CD1-CD2 4Å; L223-L242 HydrophobicContact CD1-CG 4.16Å; L223-L242 HydrophobicContact CG-CD2 4.5Å; I238-L242 HydrophobicContact CG2-CD1 3.75Å; I238-L242 HydrophobicContact CG2-CG 4.27Å; I238-L242 WeakPolarHBondContact O-CG 3.3Å; I238-L242 PolarHBondContact O-N 2.83Å; H239-L242 PolarHBondContact O-N 3.43Å; L242-S244 VanDerWaalsContact C-N 3.32Å; L242-S244 PolarHBondContact O-N 3.22Å; L242-L245 WeakPolarHBondContact O-CB 3.3Å; L242-L245 PolarHBondContact O-N 3.41Å; L242-L246 PolarHBondContact O-N 3.35Å
243	I	86.2	Confident	81.1	Confident	3 Å²	3	55.8 Å²	55.8	2%	0.015	28%	0.28	C	S	.	.	H	α-helix	trans	-62.2	-40.9	175.5	-65.3	-64.8	0	0	0	111	E180 H239 L245 L246 I247 L368	E180-I243 HydrophobicContact CG-CD1 3.69Å; H239-I243 VanDerWaalsContact CD2-CG1 3.43Å; H239-I243 WeakPolarHBondContact CD2-CG1 3.28Å; H239-I243 VanDerWaalsContact O-CG1 3.3Å; H239-I243 WeakPolarHBondContact O-CG1 3.24Å; H239-I243 PolarHBondContact O-N 2.69Å; I243-L245 VanDerWaalsContact C-N 3.26Å; I243-L245 PolarHBondContact O-N 3.05Å; I243-L246 HydrophobicContact CD1-CD1 4.37Å; I243-L246 PolarHBondContact O-N 2.81Å; I243-I247 HydrophobicContact CG2-CD1 3.68Å; I243-I247 HydrophobicContact CG2-CG1 4.25Å; I243-I247 WeakPolarHBondContact O-CB 3.44Å; I243-I247 VanDerWaalsContact O-CG1 3.29Å; I243-I247 WeakPolarHBondContact O-CG1 3.46Å; I243-I247 PolarHBondContact O-N 3.09Å; I243-L368 HydrophobicContact CD1-CB 4.13Å; I243-L368 HydrophobicContact CG1-CB 4.37Å; I243-L368 HydrophobicContact CG1-CD1 4.48Å; I243-L368 HydrophobicContact CG2-CB 3.86Å
244	S	85.1	Confident	79.5	Confident	44 Å²	44	55.9 Å²	55.9	31%	0.308	29%	0.29	S	S	.	.	H	α-helix	trans	-61.6	-35.3	176.9	76.4	0	0	0	0	112.8	T240 K241 L242 N248	T240-S244 PolarHBondContact O-N 3.21Å; K241-S244 PolarHBondContact O-N 3.46Å; K241-S244 PolarHBondContact O-OG 3.38Å; L242-S244 VanDerWaalsContact C-N 3.32Å; L242-S244 PolarHBondContact O-N 3.22Å; S244-N248 VanDerWaalsContact O-CG 3.3Å; S244-N248 PolarHBondContact O-N 3.13Å; S244-N248 PolarHBondContact O-ND2 3.27Å
245	L	88.9	Confident	77.7	Confident	56 Å²	56	55.1 Å²	55.1	29%	0.293	29%	0.286	S	S	.	.	H	α-helix	trans	-69.3	-48	175.4	-66.7	172.5	0	0	0	111	L220 P221 K241 L242 I243 I247 N248 E249	L220-L245 HydrophobicContact CD2-CB 3.61Å; L220-L245 HydrophobicContact CD2-CD1 3.93Å; L220-L245 HydrophobicContact CD2-CG 4.42Å; P221-L245 HydrophobicContact CG-CD1 3.96Å; K241-L245 WeakPolarHBondContact O-CG 3.48Å; K241-L245 PolarHBondContact O-N 3.21Å; L242-L245 WeakPolarHBondContact O-CB 3.3Å; L242-L245 PolarHBondContact O-N 3.41Å; I243-L245 VanDerWaalsContact C-N 3.26Å; I243-L245 PolarHBondContact O-N 3.05Å; L245-I247 VanDerWaalsContact C-N 3.31Å; L245-I247 PolarHBondContact O-N 3.38Å; L245-N248 PolarHBondContact O-N 2.86Å; L245-N248 VanDerWaalsContact O-N 3.11Å; L245-E249 PolarHBondContact O-N 3.32Å
246	L	85	Confident	75.8	Confident	3 Å²	3	60.2 Å²	60.2	2%	0.016	31%	0.314	C	S	.	.	H	α-helix	trans	-57.3	-43.1	176.2	-75.2	177.3	0	0	0	112.6	L179 L218 L220 L242 I243 N248 E249 N250	L179-L246 HydrophobicContact CD2-CD1 4.26Å; L218-L246 HydrophobicContact CD1-CD2 4.16Å; L218-L246 HydrophobicContact CD2-CD2 4.25Å; L220-L246 HydrophobicContact CD1-CD2 3.95Å; L220-L246 HydrophobicContact CD1-CG 4.1Å; L242-L246 PolarHBondContact O-N 3.35Å; I243-L246 HydrophobicContact CD1-CD1 4.37Å; I243-L246 PolarHBondContact O-N 2.81Å; L246-N248 VanDerWaalsContact C-N 3.31Å; L246-N248 PolarHBondContact O-N 3.38Å; L246-E249 PolarHBondContact O-N 2.82Å; L246-N250 WeakPolarHBondContact O-CB 3.43Å; L246-N250 PolarHBondContact O-N 3.3Å
247	I	79.5	Confident	74.3	Confident	22 Å²	22	63.5 Å²	63.5	11%	0.113	33%	0.328	C	S	.	.	H	α-helix	trans	-61.6	-41.2	177.5	-72.7	170.4	0	0	0	111.1	I243 L245 N250 K251 T372	I243-I247 HydrophobicContact CG2-CD1 3.68Å; I243-I247 HydrophobicContact CG2-CG1 4.25Å; I243-I247 WeakPolarHBondContact O-CB 3.44Å; I243-I247 VanDerWaalsContact O-CG1 3.29Å; I243-I247 WeakPolarHBondContact O-CG1 3.46Å; I243-I247 PolarHBondContact O-N 3.09Å; L245-I247 VanDerWaalsContact C-N 3.31Å; L245-I247 PolarHBondContact O-N 3.38Å; I247-N250 PolarHBondContact O-N 2.73Å; I247-K251 HydrophobicContact CG2-CD 4.47Å; I247-K251 WeakPolarHBondContact O-CG 3.32Å; I247-K251 PolarHBondContact O-N 2.96Å; I247-T372 HydrophobicContact CG1-CG2 4.47Å; I247-T372 HydrophobicContact CG2-CG2 3.57Å
248	N	80.3	Confident	73.1	Confident	85 Å²	85	67.5 Å²	67.5	46%	0.455	34%	0.34	S	S	.	.	H	α-helix	trans	-68	-37.3	178.8	-73.5	-21.6	0	0	0	112	S244 L245 L246 K251 N252	S244-N248 VanDerWaalsContact O-CG 3.3Å; S244-N248 PolarHBondContact O-N 3.13Å; S244-N248 PolarHBondContact O-ND2 3.27Å; L245-N248 PolarHBondContact O-N 2.86Å; L245-N248 VanDerWaalsContact O-N 3.11Å; L246-N248 VanDerWaalsContact C-N 3.31Å; L246-N248 PolarHBondContact O-N 3.38Å; N248-K251 PolarHBondContact O-N 2.93Å; N248-N252 PolarHBondContact O-N 3.5Å; N248-N252 PolarHBondContact O-ND2 2.94Å
249	E	75.5	Confident	72.4	Confident	85 Å²	85	73 Å²	73	40%	0.397	37%	0.369	S	S	.	.	H	α-helix	trans	-63.3	-46.1	172	-70.5	-175.2	166.2	0	0	111.4	L245 L246 K251 N252 S253	L245-E249 PolarHBondContact O-N 3.32Å; L246-E249 PolarHBondContact O-N 2.82Å; E249-K251 VanDerWaalsContact C-N 3.31Å; E249-K251 PolarHBondContact O-N 2.86Å; E249-N252 PolarHBondContact O-N 3.17Å; E249-S253 PolarHBondContact O-N 3.12Å
250	N	70	Confident	72.3	Confident	47 Å²	47	75.1 Å²	75.1	25%	0.251	38%	0.38	S	S	.	.	H	α-helix	trans	-61.7	-36.4	177.8	-75.1	-12.7	0	0	0	112.6	L246 I247 N252 S253 S369	L246-N250 WeakPolarHBondContact O-CB 3.43Å; L246-N250 PolarHBondContact O-N 3.3Å; I247-N250 PolarHBondContact O-N 2.73Å; N250-N252 PolarHBondContact O-N 3.13Å; N250-S253 PolarHBondContact O-N 2.88Å; N250-S253 PolarHBondContact O-OG 3.49Å; N250-S369 PolarHBondContact ND2-O 3.14Å
251	K	67.5	Low	72.6	Confident	138 Å²	138	75.8 Å²	75.8	60%	0.6	39%	0.385	S	S	*	.	H	α-helix	trans	-62.9	-28.8	174.9	-78.2	177.8	-179.9	179.2	0	113.2	I247 N248 E249	I247-K251 HydrophobicContact CG2-CD 4.47Å; I247-K251 WeakPolarHBondContact O-CG 3.32Å; I247-K251 PolarHBondContact O-N 2.96Å; N248-K251 PolarHBondContact O-N 2.93Å; E249-K251 VanDerWaalsContact C-N 3.31Å; E249-K251 PolarHBondContact O-N 2.86Å
252	N	57.4	Low	72.8	Confident	140 Å²	140	73.6 Å²	73.6	75%	0.749	38%	0.381	S	S	*	.	H	α-helix	trans	-83.7	-16.3	178	-66.7	-22.1	0	0	0	112.6	N248 E249 N250 V254	N248-N252 PolarHBondContact O-N 3.5Å; N248-N252 PolarHBondContact O-ND2 2.94Å; E249-N252 PolarHBondContact O-N 3.17Å; N250-N252 PolarHBondContact O-N 3.13Å; N252-V254 PolarHBondContact O-N 3.31Å
253	S	57.9	Low	73	Confident	64 Å²	64	73.8 Å²	73.8	45%	0.448	38%	0.382	S	S	.	.	S	Bend	trans	-72.3	122.5	170.1	72.9	0	0	0	0	109.6	E249 N250 K255	E249-S253 PolarHBondContact O-N 3.12Å; N250-S253 PolarHBondContact O-N 2.88Å; N250-S253 PolarHBondContact O-OG 3.49Å; S253-K255 PolarHBondContact O-N 3.49Å
254	V	48.1	Very low	73.6	Confident	133 Å²	133	76 Å²	76	81%	0.806	39%	0.392	S	S	*	.			trans	-63.7	99	172.4	-179.9	0	0	0	0	106.9	N252 N256	N252-V254 PolarHBondContact O-N 3.31Å; V254-N256 PolarHBondContact O-N 3.34Å
255	K	49.6	Very low	74.2	Confident	78 Å²	78	77.2 Å²	77.2	34%	0.339	39%	0.39	S	S	.	.			trans	-64.2	129.7	168.4	-70.7	-170.4	-164.6	163.7	0	107.9	S253 H257 T372 S373	S253-K255 PolarHBondContact O-N 3.49Å; K255-H257 PolarHBondContact O-N 2.91Å; K255-T372 PolarHBondContact NZ-O 2.98Å; K255-S373 VanDerWaalsContact NZ-CA 3.29Å; K255-S373 PolarHBondContact NZ-O 3.29Å
256	N	47.8	Very low	74.6	Confident	108 Å²	108	79.9 Å²	79.9	58%	0.578	41%	0.405	S	S	*	.			trans	-68.6	79.2	161.2	-70.1	-17.9	0	0	0	107.6	V254 W258	V254-N256 PolarHBondContact O-N 3.34Å; N256-W258 PolarHBondContact O-N 2.63Å; N256-W258 VanDerWaalsContact O-N 3.09Å
257	H	50.9	Low	75	Confident	99 Å²	99	80.8 Å²	80.8	46%	0.458	41%	0.409	S	S	.	.			trans	-65	108.4	162.6	-85	-71.2	0	0	0	106.4	K255 D259 N375	K255-H257 PolarHBondContact O-N 2.91Å; H257-D259 PolarHBondContact O-N 2.77Å; H257-N375 PolarHBondContact CE1-OD1 3.13Å
258	W	61.8	Low	75.7	Confident	169 Å²	169	80.4 Å²	80.4	64%	0.64	41%	0.407	S	S	*	.			trans	-71	108.9	164.2	-65.4	92.3	0	0	0	106.1	N256 I260	N256-W258 PolarHBondContact O-N 2.63Å; N256-W258 VanDerWaalsContact O-N 3.09Å; W258-I260 PolarHBondContact O-N 2.65Å
259	D	74.8	Confident	76.2	Confident	123 Å²	123	80.6 Å²	80.6	66%	0.658	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-60.3	127.6	173.4	-74.8	-35.9	0	0	0	108.6	H257 P261	H257-D259 PolarHBondContact O-N 2.77Å; D259-P261 WeakPolarHBondContact O-CD 3.47Å; D259-P261 VanDerWaalsContact O-N 3.12Å
260	I	86	Confident	76.8	Confident	46 Å²	46	81.8 Å²	81.8	24%	0.236	42%	0.421	C	S	.	.	P	Polyproline II helix	trans	-56.9	120	171.2	-62.6	166.9	0	0	0	106.7	W258 V304 F581	W258-I260 PolarHBondContact O-N 2.65Å; I260-V304 HydrophobicContact CG2-CG1 3.52Å; I260-F581 HydrophobicContact CD1-CD1 4.43Å; I260-F581 HydrophobicContact CD1-CD2 3.47Å; I260-F581 VanDerWaalsContact CD1-CD2 3.47Å; I260-F581 HydrophobicContact CD1-CE1 4.32Å; I260-F581 HydrophobicContact CD1-CE2 3.36Å; I260-F581 HydrophobicContact CD1-CG 4.03Å; I260-F581 HydrophobicContact CD1-CZ 3.81Å; I260-F581 HydrophobicContact CG1-CD2 4.35Å; I260-F581 HydrophobicContact CG2-CD1 4.13Å; I260-F581 HydrophobicContact CG2-CE1 4.46Å; I260-F581 HydrophobicContact CG2-CG 4.29Å
261	P	91.7	Very high	78	Confident	35 Å²	35	82 Å²	82	23%	0.227	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-69.4	166.8	-174.7	30	-35.8	0	0	0	110.9	D259 I301 V304 I583	D259-P261 WeakPolarHBondContact O-CD 3.47Å; D259-P261 VanDerWaalsContact O-N 3.12Å; P261-I301 HydrophobicContact CB-CD1 4.48Å; P261-I301 HydrophobicContact CB-CG1 4.05Å; P261-I301 HydrophobicContact CG-CD1 4.31Å; P261-I301 HydrophobicContact CG-CG1 4.27Å; P261-I301 HydrophobicContact CG-CG2 4.5Å; P261-V304 HydrophobicContact CG-CG2 4.24Å; P261-V304 WeakPolarHBondContact O-CG2 3.47Å; P261-I583 HydrophobicContact CG-CD1 3.9Å; P261-I583 HydrophobicContact CG-CG1 4.25Å; P261-I583 HydrophobicContact CG-CG2 3.92Å
262	T	92.7	Very high	79.2	Confident	68 Å²	68	77 Å²	77	42%	0.417	40%	0.398	S	S	.	.	P	Polyproline II helix	trans	-101.8	140.9	169.8	-56.2	0	0	0	0	109.1
263	P	97.3	Very high	81	Confident	3 Å²	3	70.3 Å²	70.3	2%	0.019	36%	0.362	C	S	.	.	P	Polyproline II helix	trans	-53.2	144.3	170.5	-24.7	34.1	0	0	0	111.6	Y265 D266 H267 I301 V304	P263-Y265 PolarHBondContact O-N 3.47Å; P263-D266 PolarHBondContact O-N 3.47Å; P263-H267 VanDerWaalsContact CD-CE1 3.42Å; P263-H267 WeakPolarHBondContact CD-CE1 3.45Å; P263-H267 WeakPolarHBondContact CD-NE2 3.45Å; P263-I301 WeakPolarHBondContact CA-O 3.48Å; P263-V304 HydrophobicContact CG-CB 4.09Å; P263-V304 HydrophobicContact CG-CG2 3.98Å
264	K	97.7	Very high	82.9	Confident	51 Å²	51	67.3 Å²	67.3	22%	0.222	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	136.7	169.6	-172.1	-170.9	-164.6	-177.6	0	108.4	D266 S275 S295 F296 D300 I301	K264-D266 VanDerWaalsContact C-N 3.26Å; K264-D266 PolarHBondContact O-N 2.93Å; K264-S275 VanDerWaalsContact O-CB 3.32Å; K264-S275 WeakPolarHBondContact O-CB 3.27Å; K264-S275 PolarHBondContact O-OG 2.69Å; K264-S295 PolarHBondContact NZ-O 3.13Å; K264-F296 HydrophobicContact CB-CD1 4.24Å; K264-F296 HydrophobicContact CB-CE1 4Å; K264-F296 HydrophobicContact CD-CD1 3.73Å; K264-F296 HydrophobicContact CD-CE1 4.06Å; K264-F296 HydrophobicContact CG-CE1 4.5Å; K264-D300 HydrophobicContact CD-CB 4.02Å; K264-D300 VanDerWaalsContact CD-CG 3.47Å; K264-D300 VanDerWaalsContact CD-OD2 3.24Å; K264-D300 WeakPolarHBondContact CD-OD2 3.39Å; K264-D300 VanDerWaalsContact CE-OD2 3.27Å; K264-D300 WeakPolarHBondContact CE-OD2 3.02Å; K264-D300 IonicContact NZ-OD1 3.13Å; K264-D300 IonicContact NZ-OD2 2.64Å; K264-D300 PolarHBondContact NZ-OD2 2.92Å; K264-I301 PolarHBondContact N-O 2.83Å
265	Y	98	Very high	85.3	Confident	69 Å²	69	61 Å²	61	27%	0.271	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.2	21.1	-174.5	-43.5	-64.9	0	0	0	115.2	P263 N276 K294 S295 F296	P263-Y265 PolarHBondContact O-N 3.47Å; Y265-N276 WeakPolarHBondContact O-CB 3.41Å; Y265-K294 HydrophobicContact CD1-CD 3.77Å; Y265-K294 HydrophobicContact CD2-CB 4.12Å; Y265-K294 HydrophobicContact CD2-CD 3.83Å; Y265-K294 HydrophobicContact CE1-CD 3.82Å; Y265-K294 HydrophobicContact CE2-CB 3.51Å; Y265-K294 HydrophobicContact CE2-CD 3.86Å; Y265-K294 HydrophobicContact CE2-CG 4.34Å; Y265-K294 HydrophobicContact CG-CD 3.77Å; Y265-S295 PolarHBondContact OH-O 3.37Å; Y265-F296 HydrophobicContact CD2-CE1 4.01Å; Y265-F296 HydrophobicContact CD2-CZ 4.02Å; Y265-F296 HydrophobicContact CE2-CD1 4.46Å; Y265-F296 HydrophobicContact CE2-CE1 4.04Å; Y265-F296 HydrophobicContact CE2-CZ 4.09Å
266	D	96.2	Very high	87.6	Confident	112 Å²	112	60.7 Å²	60.7	60%	0.599	31%	0.305	S	S	*	.			trans	65.1	175.9	-179.4	-49.6	-58.2	0	0	0	113.6	P263 K264 S275 N276	P263-D266 PolarHBondContact O-N 3.47Å; K264-D266 VanDerWaalsContact C-N 3.26Å; K264-D266 PolarHBondContact O-N 2.93Å; D266-S275 CarbonylContact O-C 3.58Å; D266-S275 WeakPolarHBondContact O-CA 3.13Å; D266-N276 PolarHBondContact O-N 3.33Å
267	H	94.5	Very high	90	Very high	21 Å²	21	55.6 Å²	55.6	10%	0.097	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-69.6	141.5	179	-67.3	-87.2	0	0	0	112	P263 H272 L274 W310 Y319	P263-H267 VanDerWaalsContact CD-CE1 3.42Å; P263-H267 WeakPolarHBondContact CD-CE1 3.45Å; P263-H267 WeakPolarHBondContact CD-NE2 3.45Å; H267-H272 WeakPolarHBondContact CB-NE2 3.43Å; H267-H272 AromaticContact CD2-CE1 3.89Å; H267-H272 AromaticContact CG-CE1 3.52Å; H267-H272 AromaticContact CG-ND1 3.84Å; H267-H272 AromaticContact CG-NE2 3.8Å; H267-H272 AromaticContact ND1-CE1 3.76Å; H267-H272 AromaticContact ND1-ND1 3.71Å; H267-H272 PolarHBondContact ND1-O 3.48Å; H267-L274 CarbonylContact C-O 3.51Å; H267-L274 WeakPolarHBondContact CA-O 3.25Å; H267-W310 AromaticContact CE1-CZ2 3.67Å; H267-Y319 PolarHBondContact CD2-OH 3.17Å
268	N	94.8	Very high	92.3	Very high	15 Å²	15	51 Å²	51	8%	0.08	26%	0.256	C	S	.	.			trans	-68.4	131.4	173.8	-176.6	-65.2	0	0	0	110	L270 Y271 H272 L274 V278	N268-L270 VanDerWaalsContact C-N 3.29Å; N268-L270 PolarHBondContact O-N 3.25Å; N268-L270 PolarHBondContact OD1-N 2.66Å; N268-Y271 WeakPolarHBondContact CB-O 3.42Å; N268-Y271 CarbonylContact O-C 3.55Å; N268-Y271 PolarHBondContact OD1-N 3.35Å; N268-H272 WeakPolarHBondContact O-CA 3.37Å; N268-H272 PolarHBondContact O-N 2.93Å; N268-L274 HydrophobicContact CB-CB 4.48Å; N268-L274 WeakPolarHBondContact CB-O 3.48Å; N268-L274 PolarHBondContact N-O 3.29Å; N268-V278 PolarHBondContact ND2-O 2.89Å
269	P	90.4	Very high	93.9	Very high	89 Å²	89	48.6 Å²	48.6	58%	0.578	25%	0.247	S	C	*	.	S	Bend	trans	-60.4	-30.7	-175.5	-27	34.8	0	0	0	115.7
270	L	88.4	Confident	95	Very high	109 Å²	109	44.2 Å²	44.2	57%	0.571	22%	0.223	S	C	*	.	S	Bend	trans	-99.7	-40.6	-178.2	-64.1	175.4	0	0	0	111.9	N268 F441	N268-L270 VanDerWaalsContact C-N 3.29Å; N268-L270 PolarHBondContact O-N 3.25Å; N268-L270 PolarHBondContact OD1-N 2.66Å; L270-F441 PolarHBondContact O-N 3.14Å
271	Y	94	Very high	95.5	Very high	53 Å²	53	45 Å²	45	21%	0.208	23%	0.228	C	C	.	.	S	Bend	trans	-110.2	63.8	-179.8	-61.1	-85.4	0	0	0	109.8	N268 G273 L274 I280 F441 L564	N268-Y271 WeakPolarHBondContact CB-O 3.42Å; N268-Y271 CarbonylContact O-C 3.55Å; N268-Y271 PolarHBondContact OD1-N 3.35Å; Y271-G273 PolarHBondContact O-N 2.81Å; Y271-L274 WeakPolarHBondContact O-CB 3.49Å; Y271-L274 PolarHBondContact O-N 3.35Å; Y271-I280 HydrophobicContact CD1-CG1 3.94Å; Y271-I280 HydrophobicContact CD2-CG1 3.59Å; Y271-I280 HydrophobicContact CE1-CG1 3.73Å; Y271-I280 HydrophobicContact CE2-CB 3.91Å; Y271-I280 HydrophobicContact CE2-CG1 3.36Å; Y271-I280 HydrophobicContact CG-CG1 3.87Å; Y271-I280 VanDerWaalsContact CZ-CG1 3.43Å; Y271-F441 HydrophobicContact CD1-CB 3.78Å; Y271-F441 HydrophobicContact CD1-CD1 4.39Å; Y271-F441 HydrophobicContact CD1-CD2 4.05Å; Y271-F441 AromaticContact CD1-CG 3.82Å; Y271-F441 HydrophobicContact CD1-CG 3.82Å; Y271-F441 HydrophobicContact CE1-CB 4.09Å; Y271-F441 AromaticContact CE1-CD2 3.52Å; Y271-F441 HydrophobicContact CE1-CD2 3.52Å; Y271-F441 HydrophobicContact CE1-CE2 4.04Å; Y271-F441 AromaticContact CE1-CG 3.8Å; Y271-F441 HydrophobicContact CE1-CG 3.8Å; Y271-L564 HydrophobicContact CD1-CD1 3.57Å; Y271-L564 HydrophobicContact CE1-CD1 3.54Å
272	H	93	Very high	95.7	Very high	32 Å²	32	47.6 Å²	47.6	15%	0.148	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-18.3	-166.9	-161.8	-88.9	0	0	0	115.3	H267 N268 L274 W310 F440	H267-H272 WeakPolarHBondContact CB-NE2 3.43Å; H267-H272 AromaticContact CD2-CE1 3.89Å; H267-H272 AromaticContact CG-CE1 3.52Å; H267-H272 AromaticContact CG-ND1 3.84Å; H267-H272 AromaticContact CG-NE2 3.8Å; H267-H272 AromaticContact ND1-CE1 3.76Å; H267-H272 AromaticContact ND1-ND1 3.71Å; H267-H272 PolarHBondContact ND1-O 3.48Å; N268-H272 WeakPolarHBondContact O-CA 3.37Å; N268-H272 PolarHBondContact O-N 2.93Å; H272-L274 PolarHBondContact O-N 2.81Å; H272-W310 VanDerWaalsContact C-CD1 3.47Å; H272-W310 HydrophobicContact CB-CB 4.1Å; H272-W310 HydrophobicContact CB-CG 3.94Å; H272-W310 AromaticContact CE1-CD2 3.81Å; H272-W310 AromaticContact CE1-CE2 3.85Å; H272-W310 AromaticContact CE1-CE3 3.85Å; H272-W310 AromaticContact CE1-CZ2 3.99Å; H272-W310 AromaticContact CE1-CZ3 3.93Å; H272-W310 AromaticContact CG-CG 3.98Å; H272-W310 AromaticContact ND1-CD1 3.55Å; H272-W310 AromaticContact ND1-CD2 3.12Å; H272-W310 AromaticContact ND1-CE2 3.23Å; H272-W310 AromaticContact ND1-CE3 3.6Å; H272-W310 AromaticContact ND1-CG 3.35Å; H272-W310 AromaticContact ND1-CZ2 3.81Å; H272-W310 AromaticContact ND1-NE1 3.46Å; H272-W310 PolarHBondContact ND1-NE1 2.64Å; H272-W310 PolarHBondContact O-NE1 2.89Å; H272-F440 HydrophobicContact CB-CD1 3.61Å; H272-F440 HydrophobicContact CB-CE1 3.67Å; H272-F440 AromaticContact CD2-CE1 3.83Å; H272-F440 AromaticContact CG-CE1 3.84Å
273	G	94.3	Very high	95.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.5	169.3	0	0	0	0	0	114.2	Y271 A303 V304	Y271-G273 PolarHBondContact O-N 2.81Å; G273-A303 CarbonylContact O-C 3.57Å; G273-A303 WeakPolarHBondContact O-CA 3.32Å; G273-A303 WeakPolarHBondContact O-CB 3.43Å; G273-V304 CarbonylContact O-C 3.45Å; G273-V304 PolarHBondContact O-N 3.4Å
274	L	98	Very high	95.3	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-104.8	163.3	-173.7	-56	175.7	0	0	0	112.3	H267 N268 Y271 H272 V278 I280 V290 I302 A303 C561 L565	H267-L274 CarbonylContact C-O 3.51Å; H267-L274 WeakPolarHBondContact CA-O 3.25Å; N268-L274 HydrophobicContact CB-CB 4.48Å; N268-L274 WeakPolarHBondContact CB-O 3.48Å; N268-L274 PolarHBondContact N-O 3.29Å; Y271-L274 WeakPolarHBondContact O-CB 3.49Å; Y271-L274 PolarHBondContact O-N 3.35Å; H272-L274 PolarHBondContact O-N 2.81Å; L274-V278 HydrophobicContact CB-CG2 3.78Å; L274-V278 HydrophobicContact CD1-CG2 4.11Å; L274-V278 HydrophobicContact CG-CG2 4.47Å; L274-I280 HydrophobicContact CD1-CD1 3.85Å; L274-V290 HydrophobicContact CD1-CG2 4.27Å; L274-I302 CarbonylContact C-O 3.6Å; L274-A303 HydrophobicContact CD2-CB 3.79Å; L274-C561 HydrophobicContact CD1-CB 4.44Å; L274-C561 HydrophobicContact CD2-CB 4.39Å; L274-C561 HydrophobicContact CG-CB 3.96Å; L274-L565 HydrophobicContact CD2-CD1 4.18Å
275	S	98.4	Very high	94.8	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-65.1	144.8	170.5	167.5	0	0	0	0	112.7	K264 D266 G277 V278 F296 I302	K264-S275 VanDerWaalsContact O-CB 3.32Å; K264-S275 WeakPolarHBondContact O-CB 3.27Å; K264-S275 PolarHBondContact O-OG 2.69Å; D266-S275 CarbonylContact O-C 3.58Å; D266-S275 WeakPolarHBondContact O-CA 3.13Å; S275-G277 PolarHBondContact O-N 2.94Å; S275-G277 VanDerWaalsContact O-N 3.14Å; S275-G277 WeakPolarHBondContact OG-CA 3.46Å; S275-G277 PolarHBondContact OG-N 2.87Å; S275-V278 WeakPolarHBondContact O-CG2 3.5Å; S275-V278 PolarHBondContact O-N 3.32Å; S275-V278 VanDerWaalsContact O-N 3.17Å; S275-F296 WeakPolarHBondContact OG-CZ 3.5Å; S275-I302 VanDerWaalsContact CB-O 3.24Å; S275-I302 WeakPolarHBondContact CB-O 3.46Å; S275-I302 PolarHBondContact N-O 3.19Å
276	N	98.1	Very high	94.4	Very high	72 Å²	72	63.2 Å²	63.2	39%	0.385	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-4.6	167.7	-161.2	29.2	0	0	0	113.3	Y265 D266 V278	Y265-N276 WeakPolarHBondContact O-CB 3.41Å; D266-N276 PolarHBondContact O-N 3.33Å; N276-V278 VanDerWaalsContact C-N 3.28Å
277	G	98.5	Very high	94.2	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85	6.9	170.3	0	0	0	0	0	114.1	S275 T293 K294 F296	S275-G277 PolarHBondContact O-N 2.94Å; S275-G277 VanDerWaalsContact O-N 3.14Å; S275-G277 WeakPolarHBondContact OG-CA 3.46Å; S275-G277 PolarHBondContact OG-N 2.87Å; G277-T293 PolarHBondContact O-N 2.97Å; G277-T293 PolarHBondContact O-OG1 2.91Å; G277-K294 PolarHBondContact O-N 3.27Å; G277-F296 WeakPolarHBondContact O-CE2 3.48Å
278	V	98.5	Very high	94.2	Very high	3 Å²	3	61.4 Å²	61.4	2%	0.018	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	161	172.5	-54.6	0	0	0	0	111.5	N268 L274 S275 N276 V290 I291 F296 I302 V596	N268-V278 PolarHBondContact ND2-O 2.89Å; L274-V278 HydrophobicContact CB-CG2 3.78Å; L274-V278 HydrophobicContact CD1-CG2 4.11Å; L274-V278 HydrophobicContact CG-CG2 4.47Å; S275-V278 WeakPolarHBondContact O-CG2 3.5Å; S275-V278 PolarHBondContact O-N 3.32Å; S275-V278 VanDerWaalsContact O-N 3.17Å; N276-V278 VanDerWaalsContact C-N 3.28Å; V278-V290 HydrophobicContact CB-CG1 3.65Å; V278-V290 HydrophobicContact CG1-CG1 4Å; V278-V290 HydrophobicContact CG2-CG1 3.75Å; V278-I291 CarbonylContact C-O 3.57Å; V278-I291 VanDerWaalsContact CA-O 3.29Å; V278-I291 WeakPolarHBondContact CA-O 3.49Å; V278-F296 HydrophobicContact CG1-CE2 3.91Å; V278-F296 HydrophobicContact CG1-CZ 3.97Å; V278-I302 HydrophobicContact CG1-CG2 4.18Å; V278-V596 HydrophobicContact CG1-CG2 4.05Å
279	R	97.3	Very high	94.2	Very high	118 Å²	118	61.2 Å²	61.2	45%	0.445	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	159.2	169.3	71.8	175	-171.6	-106.9	-1.8	110.5	D281 I291 T293	R279-D281 IonicContact NE-OD2 2.65Å; R279-D281 IonicContact NH2-OD2 2.66Å; R279-D281 PolarHBondContact NH2-OD2 2.85Å; R279-I291 HydrophobicContact CG-CB 4.28Å; R279-I291 PolarHBondContact N-O 3.03Å; R279-I291 PolarHBondContact O-N 3.18Å; R279-T293 HydrophobicContact CB-CG2 3.9Å; R279-T293 HydrophobicContact CG-CG2 3.79Å
280	I	97.3	Very high	94.6	Very high	31 Å²	31	57 Å²	57	16%	0.159	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	126.3	169	-53.8	-53.2	0	0	0	108.5	Y271 L274 R288 H289 V290 L564	Y271-I280 HydrophobicContact CD1-CG1 3.94Å; Y271-I280 HydrophobicContact CD2-CG1 3.59Å; Y271-I280 HydrophobicContact CE1-CG1 3.73Å; Y271-I280 HydrophobicContact CE2-CB 3.91Å; Y271-I280 HydrophobicContact CE2-CG1 3.36Å; Y271-I280 HydrophobicContact CG-CG1 3.87Å; Y271-I280 VanDerWaalsContact CZ-CG1 3.43Å; L274-I280 HydrophobicContact CD1-CD1 3.85Å; I280-R288 HydrophobicContact CG2-CB 4.11Å; I280-R288 HydrophobicContact CG2-CG 4.38Å; I280-H289 WeakPolarHBondContact CA-O 3.26Å; I280-V290 HydrophobicContact CD1-CB 4.42Å; I280-V290 HydrophobicContact CD1-CG2 3.66Å; I280-L564 HydrophobicContact CD1-CB 4.22Å; I280-L564 HydrophobicContact CD1-CD1 3.7Å; I280-L564 HydrophobicContact CG1-CD1 3.98Å
281	D	96.4	Very high	95.1	Very high	62 Å²	62	52.4 Å²	52.4	33%	0.332	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	166.3	172.1	-145.3	-32.4	0	0	0	109.5	R279 R288 H289 I291	R279-D281 IonicContact NE-OD2 2.65Å; R279-D281 IonicContact NH2-OD2 2.66Å; R279-D281 PolarHBondContact NH2-OD2 2.85Å; D281-R288 VanDerWaalsContact O-CA 3.29Å; D281-R288 WeakPolarHBondContact O-CA 3.31Å; D281-H289 PolarHBondContact N-O 3.45Å; D281-H289 PolarHBondContact O-N 3.4Å; D281-I291 HydrophobicContact CB-CG1 3.96Å
282	T	95.2	Very high	95.3	Very high	90 Å²	90	49.9 Å²	49.9	55%	0.552	25%	0.245	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-144	129.5	-179.7	-57.1	0	0	0	0	111.5	G287 R288	T282-G287 WeakPolarHBondContact CA-O 3.38Å; T282-R288 HydrophobicContact CG2-CG 4.37Å; T282-R288 WeakPolarHBondContact OG1-CG 3.32Å
283	N	92.8	Very high	95.5	Very high	64 Å²	64	51 Å²	51	34%	0.342	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	173.1	170.2	69.4	45.7	0	0	0	111.4	E285 K286 G287 H289	N283-E285 PolarHBondContact OD1-N 3.04Å; N283-K286 WeakPolarHBondContact OD1-CB 3.44Å; N283-K286 PolarHBondContact OD1-N 3.36Å; N283-G287 PolarHBondContact N-O 3.47Å; N283-G287 VanDerWaalsContact N-O 3.13Å; N283-G287 WeakPolarHBondContact O-CA 3.44Å; N283-G287 PolarHBondContact O-N 3.01Å; N283-H289 PolarHBondContact ND2-CE1 3.25Å; N283-H289 VanDerWaalsContact ND2-CE1 3.25Å
284	H	89	Confident	95.8	Very high	192 Å²	192	55 Å²	55	89%	0.889	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-30.4	-176.7	-174	-72	0	0	0	113.3
285	E	87.6	Confident	95.8	Very high	177 Å²	177	57.1 Å²	57.1	83%	0.827	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-42.3	-174.7	-66	178.1	172.8	0	0	112.4	N283	N283-E285 PolarHBondContact OD1-N 3.04Å
286	K	88.9	Confident	95.8	Very high	86 Å²	86	57.1 Å²	57.1	37%	0.374	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-10	-172.8	-62.8	-173.5	177.4	-176.2	0	113.6	N283 E595	N283-K286 WeakPolarHBondContact OD1-CB 3.44Å; N283-K286 PolarHBondContact OD1-N 3.36Å; K286-E595 WeakPolarHBondContact CD-OE2 3.19Å; K286-E595 IonicContact NZ-OE2 3.75Å; K286-E595 PolarHBondContact NZ-OE2 3.17Å
287	G	91.9	Very high	95.8	Very high	30 Å²	30	58.4 Å²	58.4	31%	0.309	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	60.3	-143.2	-167.1	0	0	0	0	0	111.1	T282 N283 H289	T282-G287 WeakPolarHBondContact CA-O 3.38Å; N283-G287 PolarHBondContact N-O 3.47Å; N283-G287 VanDerWaalsContact N-O 3.13Å; N283-G287 WeakPolarHBondContact O-CA 3.44Å; N283-G287 PolarHBondContact O-N 3.01Å; G287-H289 PolarHBondContact O-ND1 3.35Å
288	R	94.6	Very high	95.8	Very high	66 Å²	66	62 Å²	62	25%	0.249	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	134.6	173.8	-67.8	-178.9	-57.8	-166	-1	110.1	I280 D281 T282 Q445 L564	I280-R288 HydrophobicContact CG2-CB 4.11Å; I280-R288 HydrophobicContact CG2-CG 4.38Å; D281-R288 VanDerWaalsContact O-CA 3.29Å; D281-R288 WeakPolarHBondContact O-CA 3.31Å; T282-R288 HydrophobicContact CG2-CG 4.37Å; T282-R288 WeakPolarHBondContact OG1-CG 3.32Å; R288-Q445 PolarHBondContact NH1-O 3Å; R288-Q445 PolarHBondContact NH2-O 3.49Å; R288-L564 HydrophobicContact CB-CD2 4.3Å
289	H	96	Very high	95.6	Very high	10 Å²	10	64 Å²	64	5%	0.046	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	158.5	-179	57.9	-75.4	0	0	0	111.8	I280 D281 N283 G287 N566 E595	I280-H289 WeakPolarHBondContact CA-O 3.26Å; D281-H289 PolarHBondContact N-O 3.45Å; D281-H289 PolarHBondContact O-N 3.4Å; N283-H289 PolarHBondContact ND2-CE1 3.25Å; N283-H289 VanDerWaalsContact ND2-CE1 3.25Å; G287-H289 PolarHBondContact O-ND1 3.35Å; H289-N566 WeakPolarHBondContact CB-ND2 3.42Å; H289-E595 WeakPolarHBondContact CB-OE1 3.38Å; H289-E595 IonicContact CD2-OE1 3.76Å; H289-E595 IonicContact CG-OE1 3.3Å
290	V	98.2	Very high	95.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	120	-174	-175.2	0	0	0	0	110.3	L274 V278 I280 L564 L565 E595 V596	L274-V290 HydrophobicContact CD1-CG2 4.27Å; V278-V290 HydrophobicContact CB-CG1 3.65Å; V278-V290 HydrophobicContact CG1-CG1 4Å; V278-V290 HydrophobicContact CG2-CG1 3.75Å; I280-V290 HydrophobicContact CD1-CB 4.42Å; I280-V290 HydrophobicContact CD1-CG2 3.66Å; V290-L564 HydrophobicContact CG2-CB 4.12Å; V290-L565 HydrophobicContact CB-CG 4.45Å; V290-L565 HydrophobicContact CG2-CD1 4.19Å; V290-L565 HydrophobicContact CG2-CG 3.95Å; V290-E595 WeakPolarHBondContact O-CA 3.5Å; V290-E595 WeakPolarHBondContact O-CG 3.36Å; V290-V596 HydrophobicContact CB-CB 4.19Å; V290-V596 HydrophobicContact CG1-CB 3.99Å; V290-V596 HydrophobicContact CG1-CG2 3.95Å; V290-V596 PolarHBondContact O-N 2.92Å
291	I	98.3	Very high	95.7	Very high	14 Å²	14	59.5 Å²	59.5	7%	0.072	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	132.4	176.7	-61.3	-65.6	0	0	0	109.7	V278 R279 D281 E595	V278-I291 CarbonylContact C-O 3.57Å; V278-I291 VanDerWaalsContact CA-O 3.29Å; V278-I291 WeakPolarHBondContact CA-O 3.49Å; R279-I291 HydrophobicContact CG-CB 4.28Å; R279-I291 PolarHBondContact N-O 3.03Å; R279-I291 PolarHBondContact O-N 3.18Å; D281-I291 HydrophobicContact CB-CG1 3.96Å; I291-E595 HydrophobicContact CD1-CB 3.86Å; I291-E595 HydrophobicContact CD1-CG 4.36Å
292	A	98.7	Very high	95.8	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	130.4	172.9	0	0	0	0	0	111	F296 I590 G593 T594 V596	A292-F296 HydrophobicContact CB-CD2 4.4Å; A292-F296 HydrophobicContact CB-CE2 4.26Å; A292-I590 HydrophobicContact CB-CG2 3.52Å; A292-G593 PolarHBondContact O-N 3.5Å; A292-T594 PolarHBondContact N-O 3.12Å; A292-V596 HydrophobicContact CB-CG2 4.36Å
293	T	98.6	Very high	96	Very high	54 Å²	54	52.3 Å²	52.3	33%	0.331	28%	0.278	S	S	.	.	S	Bend	trans	-99.9	-17.2	172.1	62.2	0	0	0	0	112	G277 R279	G277-T293 PolarHBondContact O-N 2.97Å; G277-T293 PolarHBondContact O-OG1 2.91Å; R279-T293 HydrophobicContact CB-CG2 3.9Å; R279-T293 HydrophobicContact CG-CG2 3.79Å
294	K	98.6	Very high	96.2	Very high	86 Å²	86	49.3 Å²	49.3	37%	0.374	26%	0.262	S	S	.	.	S	Bend	trans	-132.6	165.7	176.3	-62.4	-179.8	-176.4	173.4	0	109.6	Y265 G277 F296	Y265-K294 HydrophobicContact CD1-CD 3.77Å; Y265-K294 HydrophobicContact CD2-CB 4.12Å; Y265-K294 HydrophobicContact CD2-CD 3.83Å; Y265-K294 HydrophobicContact CE1-CD 3.82Å; Y265-K294 HydrophobicContact CE2-CB 3.51Å; Y265-K294 HydrophobicContact CE2-CD 3.86Å; Y265-K294 HydrophobicContact CE2-CG 4.34Å; Y265-K294 HydrophobicContact CG-CD 3.77Å; G277-K294 PolarHBondContact O-N 3.27Å; K294-F296 WeakPolarHBondContact O-CD2 3.29Å; K294-F296 WeakPolarHBondContact O-CE2 3.02Å
295	S	98.3	Very high	96.5	Very high	45 Å²	45	40.1 Å²	40.1	32%	0.315	22%	0.22	S	C	.	.			trans	-78.6	143.6	179.3	53.9	0	0	0	0	112.7	K264 Y265 I590	K264-S295 PolarHBondContact NZ-O 3.13Å; Y265-S295 PolarHBondContact OH-O 3.37Å; S295-I590 VanDerWaalsContact CA-O 3.31Å; S295-I590 WeakPolarHBondContact CA-O 3.48Å
296	F	98.7	Very high	96.7	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-124.1	134.8	170	-59.7	-97.2	0	0	0	109.5	K264 Y265 S275 G277 V278 A292 K294 D300 I302 C586 P589 I590	K264-F296 HydrophobicContact CB-CD1 4.24Å; K264-F296 HydrophobicContact CB-CE1 4Å; K264-F296 HydrophobicContact CD-CD1 3.73Å; K264-F296 HydrophobicContact CD-CE1 4.06Å; K264-F296 HydrophobicContact CG-CE1 4.5Å; Y265-F296 HydrophobicContact CD2-CE1 4.01Å; Y265-F296 HydrophobicContact CD2-CZ 4.02Å; Y265-F296 HydrophobicContact CE2-CD1 4.46Å; Y265-F296 HydrophobicContact CE2-CE1 4.04Å; Y265-F296 HydrophobicContact CE2-CZ 4.09Å; S275-F296 WeakPolarHBondContact OG-CZ 3.5Å; G277-F296 WeakPolarHBondContact O-CE2 3.48Å; V278-F296 HydrophobicContact CG1-CE2 3.91Å; V278-F296 HydrophobicContact CG1-CZ 3.97Å; A292-F296 HydrophobicContact CB-CD2 4.4Å; A292-F296 HydrophobicContact CB-CE2 4.26Å; K294-F296 WeakPolarHBondContact O-CD2 3.29Å; K294-F296 WeakPolarHBondContact O-CE2 3.02Å; F296-D300 WeakPolarHBondContact CA-OD2 3.45Å; F296-D300 HydrophobicContact CB-CB 4.3Å; F296-D300 HydrophobicContact CD1-CB 4.08Å; F296-I302 HydrophobicContact CD1-CG1 3.72Å; F296-I302 HydrophobicContact CE1-CG1 3.95Å; F296-I302 HydrophobicContact CG-CD1 4.45Å; F296-I302 HydrophobicContact CG-CG1 4.13Å; F296-C586 HydrophobicContact CB-CB 4.34Å; F296-P589 WeakPolarHBondContact O-CA 3.01Å; F296-I590 HydrophobicContact CB-CB 4.24Å; F296-I590 HydrophobicContact CD2-CB 4.45Å; F296-I590 PolarHBondContact N-O 3.08Å; F296-I590 PolarHBondContact O-N 3.08Å
297	E	98.3	Very high	97	Very high	99 Å²	99	27.6 Å²	27.6	46%	0.463	16%	0.162	S	C	.	.			trans	-98.4	156	173.8	-61.5	-56.2	146	0	0	109.5	G299 D300 C586	E297-G299 PolarHBondContact O-N 2.89Å; E297-D300 PolarHBondContact N-OD2 3.13Å; E297-D300 VanDerWaalsContact O-CB 3.26Å; E297-D300 WeakPolarHBondContact O-CB 3.13Å; E297-D300 PolarHBondContact O-N 2.85Å; E297-D300 VanDerWaalsContact O-N 3.07Å; E297-C586 VanDerWaalsContact O-CB 3.24Å; E297-C586 WeakPolarHBondContact O-CB 3.24Å; E297-C586 PolarHBondContact O-SG 3.32Å; E297-C586 VanDerWaalsContact O-SG 3.34Å
298	P	97.8	Very high	97	Very high	74 Å²	74	26.4 Å²	26.4	48%	0.481	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	133.5	173.3	-27.2	35.6	0	0	0	112.3	C586 P589	P298-C586 WeakPolarHBondContact CA-O 3.43Å; P298-P589 HydrophobicContact CG-CG 4.42Å
299	G	96.1	Very high	96.8	Very high	46 Å²	46	23.3 Å²	23.3	47%	0.474	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	94.7	-19.6	-176	0	0	0	0	0	114.9	E297 C586	E297-G299 PolarHBondContact O-N 2.89Å; G299-C586 PolarHBondContact N-O 2.88Å
300	D	98.4	Very high	96.5	Very high	38 Å²	38	23.6 Å²	23.6	20%	0.203	14%	0.139	C	C	.	.			trans	-61.6	141.8	176.1	-75.7	-33.9	0	0	0	112	K264 F296 E297 R585 C586	K264-D300 HydrophobicContact CD-CB 4.02Å; K264-D300 VanDerWaalsContact CD-CG 3.47Å; K264-D300 VanDerWaalsContact CD-OD2 3.24Å; K264-D300 WeakPolarHBondContact CD-OD2 3.39Å; K264-D300 VanDerWaalsContact CE-OD2 3.27Å; K264-D300 WeakPolarHBondContact CE-OD2 3.02Å; K264-D300 IonicContact NZ-OD1 3.13Å; K264-D300 IonicContact NZ-OD2 2.64Å; K264-D300 PolarHBondContact NZ-OD2 2.92Å; F296-D300 WeakPolarHBondContact CA-OD2 3.45Å; F296-D300 HydrophobicContact CB-CB 4.3Å; F296-D300 HydrophobicContact CD1-CB 4.08Å; E297-D300 PolarHBondContact N-OD2 3.13Å; E297-D300 VanDerWaalsContact O-CB 3.26Å; E297-D300 WeakPolarHBondContact O-CB 3.13Å; E297-D300 PolarHBondContact O-N 2.85Å; E297-D300 VanDerWaalsContact O-N 3.07Å; D300-R585 WeakPolarHBondContact O-CA 3.49Å; D300-C586 HydrophobicContact CB-CB 4.1Å; D300-C586 WeakPolarHBondContact O-CB 3.25Å; D300-C586 PolarHBondContact O-N 2.95Å
301	I	98.4	Very high	95.6	Very high	16 Å²	16	23.9 Å²	23.9	8%	0.082	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	121.8	175.6	-49.7	-55.8	0	0	0	109.5	P261 P263 K264 V304 I583 R585	P261-I301 HydrophobicContact CB-CD1 4.48Å; P261-I301 HydrophobicContact CB-CG1 4.05Å; P261-I301 HydrophobicContact CG-CD1 4.31Å; P261-I301 HydrophobicContact CG-CG1 4.27Å; P261-I301 HydrophobicContact CG-CG2 4.5Å; P263-I301 WeakPolarHBondContact CA-O 3.48Å; K264-I301 PolarHBondContact N-O 2.83Å; I301-V304 HydrophobicContact CG2-CG2 3.47Å; I301-V304 VanDerWaalsContact CG2-CG2 3.47Å; I301-I583 HydrophobicContact CD1-CG2 4.01Å; I301-I583 HydrophobicContact CG2-CG2 4.19Å; I301-R585 HydrophobicContact CD1-CG 3.75Å; I301-R585 VanDerWaalsContact CD1-NH1 3.31Å
302	I	98.6	Very high	94.6	Very high	1 Å²	1	24 Å²	24	1%	0.005	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	-31.8	179.8	-61	167.5	0	0	0	111.2	L274 S275 V278 F296 T573 L584 C586 I590 V596	L274-I302 CarbonylContact C-O 3.6Å; S275-I302 VanDerWaalsContact CB-O 3.24Å; S275-I302 WeakPolarHBondContact CB-O 3.46Å; S275-I302 PolarHBondContact N-O 3.19Å; V278-I302 HydrophobicContact CG1-CG2 4.18Å; F296-I302 HydrophobicContact CD1-CG1 3.72Å; F296-I302 HydrophobicContact CE1-CG1 3.95Å; F296-I302 HydrophobicContact CG-CD1 4.45Å; F296-I302 HydrophobicContact CG-CG1 4.13Å; I302-T573 HydrophobicContact CD1-CG2 3.61Å; I302-L584 HydrophobicContact CB-CD2 4.16Å; I302-L584 HydrophobicContact CG2-CD2 4.19Å; I302-L584 PolarHBondContact N-O 2.64Å; I302-C586 HydrophobicContact CD1-CB 3.83Å; I302-C586 HydrophobicContact CG1-CB 4.33Å; I302-I590 HydrophobicContact CD1-CD1 3.69Å; I302-V596 HydrophobicContact CD1-CG1 4.13Å; I302-V596 HydrophobicContact CG2-CG1 4.29Å
303	A	98.3	Very high	93.3	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	144.5	179.6	0	0	0	0	0	111.7	G273 L274 V562 I583 L584	G273-A303 CarbonylContact O-C 3.57Å; G273-A303 WeakPolarHBondContact O-CA 3.32Å; G273-A303 WeakPolarHBondContact O-CB 3.43Å; L274-A303 HydrophobicContact CD2-CB 3.79Å; A303-V562 HydrophobicContact CB-CG2 3.9Å; A303-I583 WeakPolarHBondContact O-CA 3.47Å; A303-L584 HydrophobicContact CB-CB 3.57Å; A303-L584 HydrophobicContact CB-CD2 4.07Å; A303-L584 HydrophobicContact CB-CG 4.48Å; A303-L584 PolarHBondContact N-O 3.5Å; A303-L584 PolarHBondContact O-N 2.89Å
304	V	96.5	Very high	91.4	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	105.3	171	179.6	0	0	0	0	107	I260 P261 P263 G273 I301 W310 F581 L582	I260-V304 HydrophobicContact CG2-CG1 3.52Å; P261-V304 HydrophobicContact CG-CG2 4.24Å; P261-V304 WeakPolarHBondContact O-CG2 3.47Å; P263-V304 HydrophobicContact CG-CB 4.09Å; P263-V304 HydrophobicContact CG-CG2 3.98Å; G273-V304 CarbonylContact O-C 3.45Å; G273-V304 PolarHBondContact O-N 3.4Å; I301-V304 HydrophobicContact CG2-CG2 3.47Å; I301-V304 VanDerWaalsContact CG2-CG2 3.47Å; V304-W310 PolarHBondContact O-NE1 3.26Å; V304-W310 VanDerWaalsContact O-NE1 3.08Å; V304-F581 HydrophobicContact CG1-CD1 3.9Å; V304-L582 WeakPolarHBondContact CA-O 3.31Å
305	E	95.1	Very high	89.2	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	125.5	-172.9	-170.9	167.9	-151.4	0	0	111	F559 P560 C561 V562 F581 L582	E305-F559 HydrophobicContact CB-CD1 4.33Å; E305-F559 HydrophobicContact CG-CB 4.36Å; E305-F559 HydrophobicContact CG-CD1 4.31Å; E305-F559 WeakPolarHBondContact O-CD1 3.46Å; E305-F559 WeakPolarHBondContact O-CE1 3.39Å; E305-F559 WeakPolarHBondContact OE2-CB 3.49Å; E305-P560 WeakPolarHBondContact OE1-CD 3.39Å; E305-C561 VanDerWaalsContact CD-N 3.34Å; E305-C561 WeakPolarHBondContact OE1-CB 3.24Å; E305-C561 PolarHBondContact OE1-N 3.07Å; E305-C561 PolarHBondContact OE1-SG 2.83Å; E305-C561 WeakPolarHBondContact OE2-CB 3.25Å; E305-C561 PolarHBondContact OE2-N 2.77Å; E305-V562 HydrophobicContact CB-CG2 4.19Å; E305-V562 WeakPolarHBondContact OE2-CG2 3.16Å; E305-V562 PolarHBondContact OE2-N 2.88Å; E305-F581 WeakPolarHBondContact O-CA 3.38Å; E305-L582 PolarHBondContact N-O 3.04Å; E305-L582 PolarHBondContact O-N 3.25Å
306	P	93.3	Very high	86.9	Confident	0 Å²	0	28.2 Å²	28.2	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	155.3	171.1	29.6	-33.1	0	0	0	110.7	G308 G309 W310 N313 T328 F581	P306-G308 PolarHBondContact O-N 3.1Å; P306-G309 WeakPolarHBondContact O-CA 3.46Å; P306-G309 PolarHBondContact O-N 2.79Å; P306-W310 HydrophobicContact CG-CD2 4.11Å; P306-W310 HydrophobicContact CG-CG 4.27Å; P306-N313 HydrophobicContact CG-CB 4.13Å; P306-T328 HydrophobicContact CB-CG2 4Å; P306-T328 WeakPolarHBondContact CB-OG1 3.49Å; P306-F581 HydrophobicContact CB-CD1 4.05Å; P306-F581 HydrophobicContact CB-CE1 3.7Å; P306-F581 HydrophobicContact CB-CE2 4.42Å; P306-F581 HydrophobicContact CB-CZ 3.89Å; P306-F581 HydrophobicContact CG-CE1 4.11Å
307	A	93.7	Very high	84.6	Confident	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	135.9	172.5	0	0	0	0	0	111.5	G309 T328 L332 F559 S580	A307-G309 PolarHBondContact O-N 2.64Å; A307-T328 PolarHBondContact N-OG1 3.48Å; A307-T328 VanDerWaalsContact O-CB 3.29Å; A307-T328 WeakPolarHBondContact O-CB 3.28Å; A307-T328 PolarHBondContact O-OG1 3.33Å; A307-L332 HydrophobicContact CB-CD1 4.34Å; A307-L332 HydrophobicContact CB-CD2 3.41Å; A307-L332 VanDerWaalsContact CB-CD2 3.41Å; A307-L332 HydrophobicContact CB-CG 3.62Å; A307-F559 HydrophobicContact CB-CE1 4.04Å; A307-F559 HydrophobicContact CB-CZ 4.13Å; A307-S580 PolarHBondContact N-O 2.81Å
308	G	92.3	Very high	81.9	Confident	5 Å²	5	30.9 Å²	30.9	5%	0.052	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.2	-8.5	-172.4	0	0	0	0	0	114.4	P306 A312 L558	P306-G308 PolarHBondContact O-N 3.1Å; G308-A312 WeakPolarHBondContact O-CB 3.38Å; G308-L558 PolarHBondContact N-O 3.18Å
309	G	91.8	Very high	79.4	Confident	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.175	C	C	.	.			trans	82.9	169.2	-178.6	0	0	0	0	0	113.7	P306 A307 A311 A312	P306-G309 WeakPolarHBondContact O-CA 3.46Å; P306-G309 PolarHBondContact O-N 2.79Å; A307-G309 PolarHBondContact O-N 2.64Å; G309-A311 PolarHBondContact O-N 3.05Å; G309-A312 WeakPolarHBondContact O-CB 3.47Å; G309-A312 PolarHBondContact O-N 3.38Å
310	W	88.2	Confident	76.6	Confident	17 Å²	17	40.3 Å²	40.3	6%	0.064	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-65	-27.3	-178.1	-74.7	94.7	0	0	0	113.5	H267 H272 V304 P306 A312 N313 A316 F440 F581	H267-W310 AromaticContact CE1-CZ2 3.67Å; H272-W310 VanDerWaalsContact C-CD1 3.47Å; H272-W310 HydrophobicContact CB-CB 4.1Å; H272-W310 HydrophobicContact CB-CG 3.94Å; H272-W310 AromaticContact CE1-CD2 3.81Å; H272-W310 AromaticContact CE1-CE2 3.85Å; H272-W310 AromaticContact CE1-CE3 3.85Å; H272-W310 AromaticContact CE1-CZ2 3.99Å; H272-W310 AromaticContact CE1-CZ3 3.93Å; H272-W310 AromaticContact CG-CG 3.98Å; H272-W310 AromaticContact ND1-CD1 3.55Å; H272-W310 AromaticContact ND1-CD2 3.12Å; H272-W310 AromaticContact ND1-CE2 3.23Å; H272-W310 AromaticContact ND1-CE3 3.6Å; H272-W310 AromaticContact ND1-CG 3.35Å; H272-W310 AromaticContact ND1-CZ2 3.81Å; H272-W310 AromaticContact ND1-NE1 3.46Å; H272-W310 PolarHBondContact ND1-NE1 2.64Å; H272-W310 PolarHBondContact O-NE1 2.89Å; V304-W310 PolarHBondContact O-NE1 3.26Å; V304-W310 VanDerWaalsContact O-NE1 3.08Å; P306-W310 HydrophobicContact CG-CD2 4.11Å; P306-W310 HydrophobicContact CG-CG 4.27Å; W310-A312 PolarHBondContact O-N 3.46Å; W310-N313 PolarHBondContact O-N 3.05Å; W310-N313 VanDerWaalsContact O-N 3.12Å; W310-A316 HydrophobicContact CE3-CB 4.07Å; W310-A316 HydrophobicContact CH2-CB 4.36Å; W310-A316 HydrophobicContact CZ3-CB 3.48Å; W310-A316 VanDerWaalsContact CZ3-CB 3.48Å; W310-F440 HydrophobicContact CB-CD1 4.42Å; W310-F440 HydrophobicContact CB-CG 4.33Å; W310-F581 HydrophobicContact CZ2-CE1 4.35Å
311	A	80.5	Confident	73.8	Confident	6 Å²	6	41.2 Å²	41.2	5%	0.05	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-59.9	-30	172.7	0	0	0	0	0	113.5	G309 F440 T442	G309-A311 PolarHBondContact O-N 3.05Å; A311-F440 HydrophobicContact CB-CB 3.87Å; A311-T442 HydrophobicContact CB-CG2 3.68Å
312	A	76.6	Confident	71.1	Confident	16 Å²	16	47 Å²	47	13%	0.132	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-84.8	-17.4	179.2	0	0	0	0	0	112.7	G308 G309 W310 Y331	G308-A312 WeakPolarHBondContact O-CB 3.38Å; G309-A312 WeakPolarHBondContact O-CB 3.47Å; G309-A312 PolarHBondContact O-N 3.38Å; W310-A312 PolarHBondContact O-N 3.46Å; A312-Y331 HydrophobicContact CB-CD1 4.28Å; A312-Y331 HydrophobicContact CB-CD2 4.43Å; A312-Y331 HydrophobicContact CB-CE1 3.71Å; A312-Y331 HydrophobicContact CB-CE2 3.88Å; A312-Y331 VanDerWaalsContact CB-CZ 3.49Å
313	N	71.8	Confident	68.5	Low	8 Å²	8	51.3 Å²	51.3	4%	0.043	26%	0.257	C	S	.	.			trans	-107.4	70.6	-173.5	-165.2	-12	0	0	0	111.9	P306 W310 N315 A316 R326 T328	P306-N313 HydrophobicContact CG-CB 4.13Å; W310-N313 PolarHBondContact O-N 3.05Å; W310-N313 VanDerWaalsContact O-N 3.12Å; N313-N315 PolarHBondContact O-N 3.18Å; N313-A316 HydrophobicContact CB-CB 4.28Å; N313-A316 VanDerWaalsContact CG-CB 3.4Å; N313-A316 WeakPolarHBondContact ND2-CB 3.35Å; N313-A316 PolarHBondContact O-N 3.2Å; N313-A316 VanDerWaalsContact OD1-CB 3.32Å; N313-A316 WeakPolarHBondContact OD1-CB 3.47Å; N313-A316 PolarHBondContact OD1-N 3.39Å; N313-R326 PolarHBondContact ND2-O 3.17Å; N313-T328 HydrophobicContact CB-CG2 3.84Å
314	R	58.7	Low	66.1	Low	145 Å²	145	54 Å²	54	55%	0.547	27%	0.272	S	S	.	.	G	3₁₀ helix	trans	-62.5	-29.4	-178.4	-67.3	-176.8	176.2	-152.1	-5.1	113.6	A316 H317 H427	R314-A316 VanDerWaalsContact C-N 3.31Å; R314-A316 PolarHBondContact O-N 3.34Å; R314-H317 PolarHBondContact O-CD2 2.62Å; R314-H317 VanDerWaalsContact O-CD2 3.28Å; R314-H427 PolarHBondContact NH2-O 3.07Å
315	N	52.3	Low	64.1	Low	116 Å²	116	58.4 Å²	58.4	62%	0.62	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-77.3	-15.9	-176.9	-69.3	-11.9	0	0	0	113	N313 H317	N313-N315 PolarHBondContact O-N 3.18Å; N315-H317 VanDerWaalsContact C-N 3.31Å; N315-H317 PolarHBondContact O-N 3.37Å
316	A	50.5	Low	62.6	Low	5 Å²	5	60.3 Å²	60.3	4%	0.041	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-79.7	-4.7	-176.1	0	0	0	0	0	115.1	W310 N313 R314 S318 R326	W310-A316 HydrophobicContact CE3-CB 4.07Å; W310-A316 HydrophobicContact CH2-CB 4.36Å; W310-A316 HydrophobicContact CZ3-CB 3.48Å; W310-A316 VanDerWaalsContact CZ3-CB 3.48Å; N313-A316 HydrophobicContact CB-CB 4.28Å; N313-A316 VanDerWaalsContact CG-CB 3.4Å; N313-A316 WeakPolarHBondContact ND2-CB 3.35Å; N313-A316 PolarHBondContact O-N 3.2Å; N313-A316 VanDerWaalsContact OD1-CB 3.32Å; N313-A316 WeakPolarHBondContact OD1-CB 3.47Å; N313-A316 PolarHBondContact OD1-N 3.39Å; R314-A316 VanDerWaalsContact C-N 3.31Å; R314-A316 PolarHBondContact O-N 3.34Å; A316-S318 PolarHBondContact O-N 3.4Å; A316-R326 HydrophobicContact CB-CG 4.36Å
317	H	48.4	Very low	61.8	Low	100 Å²	100	60.9 Å²	60.9	46%	0.463	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-70.2	-13.6	178.9	-63	-48.4	0	0	0	114.3	R314 N315 F440	R314-H317 PolarHBondContact O-CD2 2.62Å; R314-H317 VanDerWaalsContact O-CD2 3.28Å; N315-H317 VanDerWaalsContact C-N 3.31Å; N315-H317 PolarHBondContact O-N 3.37Å; H317-F440 AromaticContact CE1-CE2 3.12Å; H317-F440 WeakPolarHBondContact CE1-CE2 3.06Å; H317-F440 AromaticContact CE1-CZ 3.36Å; H317-F440 WeakPolarHBondContact CE1-CZ 3.45Å; H317-F440 AromaticContact NE2-CE2 3.5Å
318	S	43.6	Very low	61.5	Low	55 Å²	55	61 Å²	61	39%	0.385	31%	0.306	S	S	.	.			trans	-94.4	97.4	173.9	-173	0	0	0	0	110.4	A316 H320 S321	A316-S318 PolarHBondContact O-N 3.4Å; S318-H320 PolarHBondContact O-N 3.4Å; S318-H320 PolarHBondContact OG-N 3.27Å; S318-S321 PolarHBondContact O-N 2.87Å; S318-S321 PolarHBondContact OG-N 3.49Å
319	Y	43.4	Very low	61.4	Low	130 Å²	130	61.4 Å²	61.4	51%	0.51	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-18.7	166.9	-87.1	-86.3	0	0	0	112.6	H267 R326	H267-Y319 PolarHBondContact CD2-OH 3.17Å; Y319-R326 PolarHBondContact O-NH2 2.9Å
320	H	38.3	Very low	61.3	Low	187 Å²	187	62.9 Å²	62.9	87%	0.866	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-4.9	-177	-71	-61.8	0	0	0	115.4	S318	S318-H320 PolarHBondContact O-N 3.4Å; S318-H320 PolarHBondContact OG-N 3.27Å
321	S	39.3	Very low	61.5	Low	58 Å²	58	62.5 Å²	62.5	41%	0.406	31%	0.312	S	S	.	.	S	Bend	trans	-78.8	135.9	168.7	-161.6	0	0	0	0	108.2	S318 N323	S318-S321 PolarHBondContact O-N 2.87Å; S318-S321 PolarHBondContact OG-N 3.49Å; S321-N323 PolarHBondContact O-N 3.42Å
322	N	42.4	Very low	62.2	Low	136 Å²	136	62.3 Å²	62.3	73%	0.727	31%	0.31	S	S	*	.			trans	-37.2	130	176.8	-78.2	-27.7	0	0	0	110.1	N324	N322-N324 PolarHBondContact O-N 3.25Å
323	N	42.4	Very low	63.1	Low	92 Å²	92	62 Å²	62	49%	0.492	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-48.6	-15.8	-174.9	-78.1	-19.8	0	0	0	114.9	S321 D325 R326	S321-N323 PolarHBondContact O-N 3.42Å; N323-D325 VanDerWaalsContact C-N 3.29Å; N323-D325 PolarHBondContact O-N 3.28Å; N323-R326 PolarHBondContact OD1-NH2 3.45Å
324	N	48.1	Very low	64.3	Low	58 Å²	58	61.6 Å²	61.6	31%	0.31	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-74.6	12.5	-175.7	-60.9	-2.2	0	0	0	116.1	N322 Y377	N322-N324 PolarHBondContact O-N 3.25Å; N324-Y377 WeakPolarHBondContact O-CE1 3.4Å; N324-Y377 PolarHBondContact O-OH 3.32Å
325	D	55.4	Low	65.9	Low	92 Å²	92	56.5 Å²	56.5	49%	0.492	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-127.6	11.3	177.2	-96.6	-24.8	0	0	0	114.6	N323 Y377	N323-D325 VanDerWaalsContact C-N 3.29Å; N323-D325 PolarHBondContact O-N 3.28Å; D325-Y377 PolarHBondContact N-OH 3.03Å
326	R	64.4	Low	67.9	Low	40 Å²	40	53 Å²	53	15%	0.151	27%	0.271	C	S	.	.			trans	-89.5	-9.6	-174.2	-63.3	-172.7	-174.8	166	9.8	114.9	N313 A316 Y319 N323 F581	N313-R326 PolarHBondContact ND2-O 3.17Å; A316-R326 HydrophobicContact CB-CG 4.36Å; Y319-R326 PolarHBondContact O-NH2 2.9Å; N323-R326 PolarHBondContact OD1-NH2 3.45Å; R326-F581 HydrophobicContact CB-CE2 4.42Å; R326-F581 HydrophobicContact CB-CZ 4.16Å
327	N	76.6	Confident	69.8	Low	12 Å²	12	56 Å²	56	6%	0.064	29%	0.292	C	S	.	.			trans	-79.5	146.2	-173.1	-80.2	-51.6	0	0	0	113.9	F329 Y377 E579 S580	N327-F329 HydrophobicContact CB-CD2 3.72Å; N327-F329 HydrophobicContact CB-CE2 3.75Å; N327-Y377 HydrophobicContact CB-CE2 4.22Å; N327-Y377 WeakPolarHBondContact ND2-CE2 3.41Å; N327-Y377 PolarHBondContact ND2-OH 3.18Å; N327-E579 VanDerWaalsContact CG-OE2 3.3Å; N327-E579 PolarHBondContact ND2-OE2 3.04Å; N327-E579 WeakPolarHBondContact OD1-CB 3.4Å; N327-E579 PolarHBondContact OD1-OE2 2.69Å; N327-E579 VanDerWaalsContact OD1-OE2 3.11Å; N327-S580 VanDerWaalsContact CA-OG 3.28Å; N327-S580 WeakPolarHBondContact CA-OG 3.36Å; N327-S580 PolarHBondContact OD1-N 2.97Å; N327-S580 PolarHBondContact OD1-OG 2.7Å
328	T	87.4	Confident	71.9	Confident	2 Å²	2	52.4 Å²	52.4	1%	0.012	28%	0.275	C	S	.	.			trans	-124.2	35.9	-173.3	48.2	0	0	0	0	111.6	P306 A307 N313 E330 Y331 S580	P306-T328 HydrophobicContact CB-CG2 4Å; P306-T328 WeakPolarHBondContact CB-OG1 3.49Å; A307-T328 PolarHBondContact N-OG1 3.48Å; A307-T328 VanDerWaalsContact O-CB 3.29Å; A307-T328 WeakPolarHBondContact O-CB 3.28Å; A307-T328 PolarHBondContact O-OG1 3.33Å; N313-T328 HydrophobicContact CB-CG2 3.84Å; T328-E330 PolarHBondContact O-N 3.07Å; T328-E330 VanDerWaalsContact O-N 3.07Å; T328-Y331 HydrophobicContact CG2-CD2 4.3Å; T328-Y331 WeakPolarHBondContact O-CB 3.43Å; T328-Y331 PolarHBondContact O-N 3.19Å; T328-S580 PolarHBondContact N-OG 2.86Å; T328-S580 PolarHBondContact OG1-OG 2.52Å
329	F	89.3	Confident	74.2	Confident	15 Å²	15	50 Å²	50	7%	0.066	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-56.9	-26.2	-178.1	-74.1	-75.1	0	0	0	113.5	N327 Y331 L332 K345 C346 F347 E579	N327-F329 HydrophobicContact CB-CD2 3.72Å; N327-F329 HydrophobicContact CB-CE2 3.75Å; F329-Y331 PolarHBondContact O-N 3.36Å; F329-L332 HydrophobicContact CD1-CD1 4.07Å; F329-L332 WeakPolarHBondContact O-CB 3.4Å; F329-L332 PolarHBondContact O-N 3.24Å; F329-K345 WeakPolarHBondContact CB-O 3.2Å; F329-K345 WeakPolarHBondContact CG-O 3.4Å; F329-C346 WeakPolarHBondContact CE1-O 3.42Å; F329-C346 WeakPolarHBondContact CZ-O 3.49Å; F329-F347 HydrophobicContact CD1-CB 4.28Å; F329-F347 HydrophobicContact CD1-CD1 4.24Å; F329-F347 HydrophobicContact CD1-CD2 4.14Å; F329-F347 AromaticContact CD1-CG 3.96Å; F329-F347 HydrophobicContact CD1-CG 3.96Å; F329-F347 HydrophobicContact CE1-CB 4.04Å; F329-F347 HydrophobicContact CE1-CD2 4.38Å; F329-F347 HydrophobicContact CE1-CG 4.19Å; F329-E579 HydrophobicContact CE2-CB 4.33Å; F329-E579 HydrophobicContact CZ-CB 3.84Å
330	E	88.8	Confident	76.6	Confident	31 Å²	31	45.1 Å²	45.1	15%	0.145	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-59.4	-25	171.8	59.5	-88.1	-161.1	0	0	113.5	T328 L332 W396 R418 L422	T328-E330 PolarHBondContact O-N 3.07Å; T328-E330 VanDerWaalsContact O-N 3.07Å; E330-L332 VanDerWaalsContact C-N 3.28Å; E330-W396 HydrophobicContact CB-CG 4.39Å; E330-R418 WeakPolarHBondContact O-CD 3.28Å; E330-R418 WeakPolarHBondContact O-CG 3.31Å; E330-L422 HydrophobicContact CB-CD1 4.3Å; E330-L422 HydrophobicContact CB-CD2 4.16Å; E330-L422 HydrophobicContact CG-CD1 4.27Å; E330-L422 HydrophobicContact CG-CD2 4.09Å; E330-L422 VanDerWaalsContact O-CD1 3.32Å; E330-L422 WeakPolarHBondContact O-CD1 3.42Å
331	Y	93.6	Very high	79.2	Confident	9 Å²	9	37.1 Å²	37.1	4%	0.035	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-85.7	0.9	175.5	-67.2	-88.6	0	0	0	113.4	A312 T328 F329 L419 L422	A312-Y331 HydrophobicContact CB-CD1 4.28Å; A312-Y331 HydrophobicContact CB-CD2 4.43Å; A312-Y331 HydrophobicContact CB-CE1 3.71Å; A312-Y331 HydrophobicContact CB-CE2 3.88Å; A312-Y331 VanDerWaalsContact CB-CZ 3.49Å; T328-Y331 HydrophobicContact CG2-CD2 4.3Å; T328-Y331 WeakPolarHBondContact O-CB 3.43Å; T328-Y331 PolarHBondContact O-N 3.19Å; F329-Y331 PolarHBondContact O-N 3.36Å; Y331-L419 HydrophobicContact CD1-CD2 3.7Å; Y331-L419 HydrophobicContact CE1-CD2 4.47Å; Y331-L422 HydrophobicContact CD1-CD1 3.69Å; Y331-L422 HydrophobicContact CD2-CD1 4.31Å; Y331-L422 HydrophobicContact CE1-CB 4.08Å; Y331-L422 HydrophobicContact CE1-CD1 3.68Å; Y331-L422 HydrophobicContact CE1-CG 4.48Å; Y331-L422 HydrophobicContact CE2-CD1 4.31Å; Y331-L422 HydrophobicContact CG-CD1 4.01Å
332	L	95.3	Very high	81.7	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	19%	0.185	C	C	.	.	S	Bend	trans	-105.1	147.8	174.2	-59.7	-179.6	0	0	0	110.8	A307 F329 E330 F347 R418 I512 F559	A307-L332 HydrophobicContact CB-CD1 4.34Å; A307-L332 HydrophobicContact CB-CD2 3.41Å; A307-L332 VanDerWaalsContact CB-CD2 3.41Å; A307-L332 HydrophobicContact CB-CG 3.62Å; F329-L332 HydrophobicContact CD1-CD1 4.07Å; F329-L332 WeakPolarHBondContact O-CB 3.4Å; F329-L332 PolarHBondContact O-N 3.24Å; E330-L332 VanDerWaalsContact C-N 3.28Å; L332-F347 HydrophobicContact CB-CE2 3.45Å; L332-F347 VanDerWaalsContact CB-CE2 3.45Å; L332-F347 HydrophobicContact CB-CZ 3.49Å; L332-F347 VanDerWaalsContact CB-CZ 3.49Å; L332-F347 HydrophobicContact CD1-CD2 4.19Å; L332-F347 HydrophobicContact CD1-CE2 3.76Å; L332-F347 HydrophobicContact CD1-CZ 4.48Å; L332-F347 HydrophobicContact CG-CE2 4.25Å; L332-R418 PolarHBondContact O-NH1 2.75Å; L332-I512 HydrophobicContact CD2-CD1 3.68Å; L332-I512 HydrophobicContact CD2-CG1 4.06Å; L332-F559 HydrophobicContact CD2-CZ 4.22Å
333	L	96.1	Very high	84	Confident	9 Å²	9	28 Å²	28	5%	0.047	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	111.2	173.9	177.9	68.5	0	0	0	110.8	L335 H414 L415 R418 A555 T556	L333-L335 PolarHBondContact O-N 3.28Å; L333-H414 HydrophobicContact CD2-CB 3.73Å; L333-L415 HydrophobicContact CB-CB 4.26Å; L333-L415 HydrophobicContact CB-CD1 4.02Å; L333-L415 HydrophobicContact CD2-CB 3.99Å; L333-R418 VanDerWaalsContact CD1-NH2 3.33Å; L333-A555 CarbonylContact O-C 3.53Å; L333-A555 WeakPolarHBondContact O-CA 3.28Å; L333-A555 VanDerWaalsContact O-CB 3.25Å; L333-A555 WeakPolarHBondContact O-CB 3.05Å; L333-T556 HydrophobicContact CB-CG2 3.98Å; L333-T556 HydrophobicContact CD2-CG2 4.21Å; L333-T556 HydrophobicContact CG-CG2 4.48Å; L333-T556 PolarHBondContact N-O 3.12Å; L333-T556 PolarHBondContact O-N 3.07Å
334	L	95.2	Very high	86.4	Confident	1 Å²	1	23.8 Å²	23.8	1%	0.005	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	127.6	171.7	-163.7	64.8	0	0	0	110.8	Q338 R339 Q342 L344 F347	L334-Q338 HydrophobicContact CD1-CB 4.13Å; L334-Q338 HydrophobicContact CG-CB 4.26Å; L334-R339 HydrophobicContact CD2-CG 4Å; L334-R339 HydrophobicContact CG-CG 4.29Å; L334-R339 PolarHBondContact O-NE 3.36Å; L334-R339 PolarHBondContact O-NH2 3Å; L334-Q342 HydrophobicContact CD1-CB 4.03Å; L334-Q342 HydrophobicContact CD2-CB 4.03Å; L334-L344 HydrophobicContact CB-CD1 4.36Å; L334-L344 HydrophobicContact CD2-CD1 4.47Å; L334-F347 HydrophobicContact CB-CE1 3.91Å; L334-F347 HydrophobicContact CB-CZ 3.97Å; L334-F347 HydrophobicContact CD1-CD1 4.08Å; L334-F347 HydrophobicContact CD1-CD2 4.2Å; L334-F347 HydrophobicContact CD1-CE1 4.17Å; L334-F347 HydrophobicContact CD1-CE2 4.27Å; L334-F347 HydrophobicContact CD1-CG 4.11Å; L334-F347 HydrophobicContact CD1-CZ 4.26Å
335	L	94.3	Very high	88.1	Confident	37 Å²	37	22.9 Å²	22.9	19%	0.194	12%	0.121	C	C	.	.			trans	-66.3	145	-179.4	-67.6	-177.4	0	0	0	111.1	L333 S337 Q338 R553 I554	L333-L335 PolarHBondContact O-N 3.28Å; L335-S337 PolarHBondContact O-N 2.99Å; L335-S337 VanDerWaalsContact O-N 3.12Å; L335-Q338 PolarHBondContact O-N 3.2Å; L335-R553 HydrophobicContact CD1-CB 4.19Å; L335-R553 HydrophobicContact CD1-CG 3.68Å; L335-I554 WeakPolarHBondContact CB-O 3.16Å; L335-I554 WeakPolarHBondContact CG-O 3.4Å; L335-I554 PolarHBondContact N-O 3.28Å
336	P	92.7	Very high	89.6	Confident	43 Å²	43	19 Å²	19	28%	0.279	10%	0.101	S	C	.	.	G	3₁₀ helix	trans	-50.9	-37.6	178.5	-30.4	37.1	0	0	0	114.5	V18 Q338 R339	V18-P336 HydrophobicContact CG2-CB 3.59Å; V18-P336 HydrophobicContact CG2-CG 3.69Å; P336-Q338 PolarHBondContact O-N 2.96Å; P336-R339 PolarHBondContact O-N 2.9Å
337	S	90.1	Very high	90.8	Very high	68 Å²	68	17.5 Å²	17.5	48%	0.476	10%	0.095	S	C	.	.	G	3₁₀ helix	trans	-69.2	-9.9	178.5	53.1	0	0	0	0	114.9	L335 M340	L335-S337 PolarHBondContact O-N 2.99Å; L335-S337 VanDerWaalsContact O-N 3.12Å; S337-M340 WeakPolarHBondContact O-CE 3.41Å
338	Q	92.4	Very high	91.2	Very high	24 Å²	24	19.4 Å²	19.4	11%	0.112	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-111.4	-6.5	179.7	-58.5	-52	-20.5	0	0	114.5	L334 L335 P336 M340 N341 Q342 I554	L334-Q338 HydrophobicContact CD1-CB 4.13Å; L334-Q338 HydrophobicContact CG-CB 4.26Å; L335-Q338 PolarHBondContact O-N 3.2Å; P336-Q338 PolarHBondContact O-N 2.96Å; Q338-M340 PolarHBondContact O-N 3.31Å; Q338-M340 VanDerWaalsContact O-N 3.1Å; Q338-N341 CarbonylContact O-C 3.56Å; Q338-N341 WeakPolarHBondContact O-CA 3.4Å; Q338-N341 PolarHBondContact O-N 3.11Å; Q338-N341 PolarHBondContact OE1-ND2 3.45Å; Q338-Q342 PolarHBondContact O-N 3Å; Q338-I554 HydrophobicContact CG-CB 4.16Å; Q338-I554 HydrophobicContact CG-CG2 4.25Å
339	R	93.7	Very high	91.2	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.015	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-18.7	-172.5	-70.7	168	-175.3	-178	0.6	114.7	L137 L334 P336 D362 A364 M404 N408 H414	L137-R339 HydrophobicContact CD1-CB 4.37Å; L334-R339 HydrophobicContact CD2-CG 4Å; L334-R339 HydrophobicContact CG-CG 4.29Å; L334-R339 PolarHBondContact O-NE 3.36Å; L334-R339 PolarHBondContact O-NH2 3Å; P336-R339 PolarHBondContact O-N 2.9Å; R339-D362 VanDerWaalsContact CD-O 3.24Å; R339-D362 WeakPolarHBondContact CD-O 3.39Å; R339-D362 WeakPolarHBondContact CG-O 3.25Å; R339-D362 IonicContact CZ-OD1 2.72Å; R339-D362 VanDerWaalsContact NH1-CG 3.3Å; R339-D362 IonicContact NH1-OD1 2.9Å; R339-D362 PolarHBondContact NH1-OD1 3.1Å; R339-A364 WeakPolarHBondContact O-CB 3.38Å; R339-M404 PolarHBondContact NH1-SD 2.72Å; R339-N408 VanDerWaalsContact CZ-OD1 3.29Å; R339-N408 PolarHBondContact NH1-ND2 2.86Å; R339-N408 PolarHBondContact NH1-OD1 3.28Å; R339-N408 PolarHBondContact NH2-OD1 3.48Å; R339-H414 PolarHBondContact NH2-CE1 3.31Å
340	M	93.9	Very high	91.2	Very high	29 Å²	29	23.2 Å²	23.2	14%	0.143	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86	-22.7	171.3	69.4	-67.4	-138.1	0	0	112.5	T130 R133 L137 S337 Q338	T130-M340 HydrophobicContact CG2-CE 3.94Å; T130-M340 HydrophobicContact CG2-CG 4.2Å; R133-M340 HydrophobicContact CB-CB 3.96Å; R133-M340 WeakPolarHBondContact CB-O 3.42Å; R133-M340 VanDerWaalsContact CD-O 3.31Å; R133-M340 WeakPolarHBondContact CD-O 3.1Å; L137-M340 HydrophobicContact CD1-CB 3.69Å; L137-M340 HydrophobicContact CG-CB 4.4Å; S337-M340 WeakPolarHBondContact O-CE 3.41Å; Q338-M340 PolarHBondContact O-N 3.31Å; Q338-M340 VanDerWaalsContact O-N 3.1Å
341	N	92.2	Very high	91.3	Very high	19 Å²	19	24.4 Å²	24.4	10%	0.102	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-23.7	-173.8	-65.2	-27.8	0	0	0	112.8	R133 Q338 Q349 L350	R133-N341 PolarHBondContact NH1-OD1 3.25Å; R133-N341 PolarHBondContact NH2-OD1 3.22Å; Q338-N341 CarbonylContact O-C 3.56Å; Q338-N341 WeakPolarHBondContact O-CA 3.4Å; Q338-N341 PolarHBondContact O-N 3.11Å; Q338-N341 PolarHBondContact OE1-ND2 3.45Å; N341-Q349 CarbonylContact O-C 3.55Å; N341-Q349 WeakPolarHBondContact O-CA 3.44Å; N341-Q349 PolarHBondContact O-OE1 3.49Å; N341-Q349 VanDerWaalsContact O-OE1 3.07Å; N341-L350 WeakPolarHBondContact O-CB 3.38Å; N341-L350 PolarHBondContact O-N 3.36Å
342	Q	91.5	Very high	91.1	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	13%	0.134	C	C	.	.	B	Isolated β-bridge	trans	-129.9	145.1	-171.7	-71.4	177	-40.2	0	0	111.7	L334 Q338 L344 F347 S348 E514	L334-Q342 HydrophobicContact CD1-CB 4.03Å; L334-Q342 HydrophobicContact CD2-CB 4.03Å; Q338-Q342 PolarHBondContact O-N 3Å; Q342-L344 PolarHBondContact O-N 3.05Å; Q342-F347 WeakPolarHBondContact CG-O 3.19Å; Q342-F347 PolarHBondContact NE2-O 3.1Å; Q342-S348 WeakPolarHBondContact CA-O 3.35Å; Q342-E514 VanDerWaalsContact NE2-CD 3.31Å; Q342-E514 PolarHBondContact NE2-OE1 3.01Å; Q342-E514 PolarHBondContact NE2-OE2 2.93Å
343	C	91.1	Very high	90.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.135	C	C	.	.			trans	-65.6	129.5	175.4	178.8	0	0	0	0	110.5	K345 C346 F347 S348 L350 A364 C366	C343-K345 PolarHBondContact O-N 2.9Å; C343-K345 PolarHBondContact SG-N 3.21Å; C343-C346 VanDerWaalsContact CB-SG 3.51Å; C343-F347 WeakPolarHBondContact O-CA 3.39Å; C343-F347 WeakPolarHBondContact O-CD1 3.36Å; C343-F347 PolarHBondContact O-N 3.43Å; C343-S348 PolarHBondContact N-O 2.67Å; C343-L350 HydrophobicContact CB-CD2 3.99Å; C343-A364 WeakPolarHBondContact CA-O 3.46Å; C343-C366 WeakPolarHBondContact CB-SG 3.45Å
344	L	91.5	Very high	90.4	Very high	4 Å²	4	24 Å²	24	2%	0.021	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.7	179.8	-177.1	60.5	0	0	0	113.1	L334 Q342 A363 A364 Y365 W396 H397	L334-L344 HydrophobicContact CB-CD1 4.36Å; L334-L344 HydrophobicContact CD2-CD1 4.47Å; Q342-L344 PolarHBondContact O-N 3.05Å; L344-A363 HydrophobicContact CD2-CB 3.45Å; L344-A363 VanDerWaalsContact CD2-CB 3.45Å; L344-A364 PolarHBondContact N-O 2.9Å; L344-Y365 HydrophobicContact CB-CD1 4.49Å; L344-Y365 HydrophobicContact CB-CE1 4.02Å; L344-W396 HydrophobicContact CD1-CH2 3.78Å; L344-W396 HydrophobicContact CD1-CZ3 3.97Å; L344-W396 HydrophobicContact CD2-CH2 4.18Å; L344-W396 HydrophobicContact CD2-CZ3 4.04Å; L344-W396 HydrophobicContact CG-CH2 3.58Å; L344-W396 HydrophobicContact CG-CZ3 3.91Å; L344-W396 WeakPolarHBondContact O-CH2 3.24Å; L344-H397 HydrophobicContact CD2-CB 4.26Å
345	K	85.8	Confident	90	Very high	40 Å²	40	24.5 Å²	24.5	17%	0.174	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-47.5	-179	-179.6	48	166.9	178.9	0	113.3	F329 C343 Y365 L394	F329-K345 WeakPolarHBondContact CB-O 3.2Å; F329-K345 WeakPolarHBondContact CG-O 3.4Å; C343-K345 PolarHBondContact O-N 2.9Å; C343-K345 PolarHBondContact SG-N 3.21Å; K345-Y365 HydrophobicContact CB-CD1 4.43Å; K345-L394 HydrophobicContact CB-CD1 3.82Å; K345-L394 HydrophobicContact CB-CD2 4.43Å; K345-L394 HydrophobicContact CD-CD1 3.73Å; K345-L394 HydrophobicContact CD-CD2 3.52Å; K345-L394 HydrophobicContact CD-CG 4.26Å; K345-L394 HydrophobicContact CG-CD1 4.22Å; K345-L394 HydrophobicContact CG-CD2 4.09Å
346	C	85.2	Confident	89.7	Confident	9 Å²	9	22.8 Å²	22.8	6%	0.061	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-119.8	-0.3	-168.1	66.2	0	0	0	0	113.9	F329 C343 S348 C374	F329-C346 WeakPolarHBondContact CE1-O 3.42Å; F329-C346 WeakPolarHBondContact CZ-O 3.49Å; C343-C346 VanDerWaalsContact CB-SG 3.51Å; C346-S348 PolarHBondContact O-N 2.78Å; C346-S348 PolarHBondContact SG-OG 3.01Å; C346-C374 WeakPolarHBondContact CB-SG 3.4Å; C346-C374 PolarHBondContact SG-SG 3.22Å
347	F	89.6	Confident	89.5	Confident	9 Å²	9	20.8 Å²	20.8	4%	0.039	12%	0.115	C	C	.	.			trans	60.5	1.4	-179.4	-67.5	12.4	0	0	0	115.3	F329 L332 L334 Q342 C343 I554 A555	F329-F347 HydrophobicContact CD1-CB 4.28Å; F329-F347 HydrophobicContact CD1-CD1 4.24Å; F329-F347 HydrophobicContact CD1-CD2 4.14Å; F329-F347 AromaticContact CD1-CG 3.96Å; F329-F347 HydrophobicContact CD1-CG 3.96Å; F329-F347 HydrophobicContact CE1-CB 4.04Å; F329-F347 HydrophobicContact CE1-CD2 4.38Å; F329-F347 HydrophobicContact CE1-CG 4.19Å; L332-F347 HydrophobicContact CB-CE2 3.45Å; L332-F347 VanDerWaalsContact CB-CE2 3.45Å; L332-F347 HydrophobicContact CB-CZ 3.49Å; L332-F347 VanDerWaalsContact CB-CZ 3.49Å; L332-F347 HydrophobicContact CD1-CD2 4.19Å; L332-F347 HydrophobicContact CD1-CE2 3.76Å; L332-F347 HydrophobicContact CD1-CZ 4.48Å; L332-F347 HydrophobicContact CG-CE2 4.25Å; L334-F347 HydrophobicContact CB-CE1 3.91Å; L334-F347 HydrophobicContact CB-CZ 3.97Å; L334-F347 HydrophobicContact CD1-CD1 4.08Å; L334-F347 HydrophobicContact CD1-CD2 4.2Å; L334-F347 HydrophobicContact CD1-CE1 4.17Å; L334-F347 HydrophobicContact CD1-CE2 4.27Å; L334-F347 HydrophobicContact CD1-CG 4.11Å; L334-F347 HydrophobicContact CD1-CZ 4.26Å; Q342-F347 WeakPolarHBondContact CG-O 3.19Å; Q342-F347 PolarHBondContact NE2-O 3.1Å; C343-F347 WeakPolarHBondContact O-CA 3.39Å; C343-F347 WeakPolarHBondContact O-CD1 3.36Å; C343-F347 PolarHBondContact O-N 3.43Å; F347-I554 HydrophobicContact CD2-CD1 4.47Å; F347-A555 HydrophobicContact CD2-CB 4.02Å; F347-A555 HydrophobicContact CE2-CB 3.35Å; F347-A555 HydrophobicContact CZ-CB 4.14Å
348	S	85.5	Confident	89.3	Confident	53 Å²	53	18.4 Å²	18.4	37%	0.371	10%	0.098	S	C	.	.			trans	-57.2	141.7	173.8	-51.5	0	0	0	0	111.5	Q342 C343 C346	Q342-S348 WeakPolarHBondContact CA-O 3.35Å; C343-S348 PolarHBondContact N-O 2.67Å; C346-S348 PolarHBondContact O-N 2.78Å; C346-S348 PolarHBondContact SG-OG 3.01Å
349	Q	87	Confident	89	Confident	93 Å²	93	22.4 Å²	22.4	44%	0.435	11%	0.113	S	C	.	.	B	Isolated β-bridge	trans	-60	136.3	175.5	-166.2	70.8	-10.5	0	0	111.1	N341	N341-Q349 CarbonylContact O-C 3.55Å; N341-Q349 WeakPolarHBondContact O-CA 3.44Å; N341-Q349 PolarHBondContact O-OE1 3.49Å; N341-Q349 VanDerWaalsContact O-OE1 3.07Å
350	L	89.8	Confident	88.9	Confident	3 Å²	3	22.2 Å²	22.2	2%	0.016	11%	0.112	C	C	.	.			trans	-99.5	103.8	-177.8	-66.8	-180	0	0	0	110.1	R133 N341 C343 S352 A364 C366	R133-L350 WeakPolarHBondContact CD-O 3.4Å; R133-L350 PolarHBondContact NH1-O 2.93Å; N341-L350 WeakPolarHBondContact O-CB 3.38Å; N341-L350 PolarHBondContact O-N 3.36Å; C343-L350 HydrophobicContact CB-CD2 3.99Å; L350-S352 WeakPolarHBondContact CB-O 3.12Å; L350-A364 HydrophobicContact CD1-CB 3.56Å; L350-C366 HydrophobicContact CD2-CB 4.47Å
351	N	90.2	Very high	88.9	Confident	57 Å²	57	21.5 Å²	21.5	31%	0.305	11%	0.11	S	C	.	.	S	Bend	trans	-67.6	-54.2	169.8	-69.6	-25.1	0	0	0	110.3	L169 L174 S177	L169-N351 HydrophobicContact CD2-CB 4.04Å; L174-N351 HydrophobicContact CD1-CB 4.18Å; S177-N351 WeakPolarHBondContact OG-CB 3.41Å
352	S	90.6	Very high	88.9	Confident	2 Å²	2	21.6 Å²	21.6	1%	0.014	11%	0.11	C	C	.	.	S	Bend	trans	-113.5	-177.6	162.2	86.2	0	0	0	0	111.6	L350 E367	L350-S352 WeakPolarHBondContact CB-O 3.12Å; S352-E367 WeakPolarHBondContact CA-OE1 3.28Å; S352-E367 WeakPolarHBondContact CB-OE1 3.47Å; S352-E367 PolarHBondContact N-OE1 3.39Å; S352-E367 WeakPolarHBondContact OG-CG 2.97Å; S352-E367 PolarHBondContact OG-OE1 2.96Å
353	V	90.1	Very high	89	Confident	3 Å²	3	21.6 Å²	21.6	2%	0.018	11%	0.11	C	C	.	.			trans	-118.5	110.6	-177.8	-177.1	0	0	0	0	109.1	R133 L136 H162 F355 V356 A364	R133-V353 HydrophobicContact CB-CG2 4.35Å; R133-V353 HydrophobicContact CG-CG2 3.92Å; L136-V353 HydrophobicContact CD1-CB 4.06Å; L136-V353 HydrophobicContact CD1-CG2 3.98Å; H162-V353 PolarHBondContact CE1-O 2.9Å; H162-V353 VanDerWaalsContact CE1-O 3.31Å; V353-F355 WeakPolarHBondContact CG1-O 3.47Å; V353-V356 HydrophobicContact CG1-CG1 3.42Å; V353-V356 VanDerWaalsContact CG1-CG1 3.42Å; V353-A364 HydrophobicContact CG1-CB 3.85Å
354	G	85.3	Confident	89.1	Confident	4 Å²	4	21.6 Å²	21.6	4%	0.041	11%	0.111	C	C	.	.	S	Bend	trans	-74.6	-37.8	-179.5	0	0	0	0	0	112.7	Y365	G354-Y365 PolarHBondContact N-O 3.37Å
355	F	86.6	Confident	89	Confident	12 Å²	12	21.7 Å²	21.7	5%	0.053	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	144.6	176.5	-174.7	-92.2	0	0	0	110.4	Y143 V353 A364 Y365 F388 F391	Y143-F355 HydrophobicContact CD1-CE2 4.29Å; Y143-F355 AromaticContact CD2-CD2 3.78Å; Y143-F355 HydrophobicContact CD2-CD2 3.78Å; Y143-F355 AromaticContact CD2-CE2 3.32Å; Y143-F355 HydrophobicContact CD2-CE2 3.32Å; Y143-F355 HydrophobicContact CD2-CZ 4.24Å; Y143-F355 AromaticContact CE2-CE2 3.65Å; Y143-F355 HydrophobicContact CE2-CE2 3.65Å; Y143-F355 HydrophobicContact CE2-CZ 4.26Å; Y143-F355 AromaticContact CG-CD2 3.88Å; Y143-F355 HydrophobicContact CG-CD2 3.88Å; Y143-F355 AromaticContact CG-CE2 3.69Å; Y143-F355 HydrophobicContact CG-CE2 3.69Å; Y143-F355 HydrophobicContact CG-CZ 4.43Å; V353-F355 WeakPolarHBondContact CG1-O 3.47Å; F355-A364 CarbonylContact O-C 3.58Å; F355-A364 WeakPolarHBondContact O-CA 3.4Å; F355-Y365 HydrophobicContact CB-CD2 4.34Å; F355-Y365 AromaticContact CD1-CD2 3.69Å; F355-Y365 HydrophobicContact CD1-CD2 3.69Å; F355-Y365 AromaticContact CD1-CE2 3.98Å; F355-Y365 HydrophobicContact CD1-CE2 3.98Å; F355-Y365 HydrophobicContact CE1-CE2 4.47Å; F355-Y365 PolarHBondContact O-N 2.96Å; F355-F388 HydrophobicContact CD2-CD1 4.32Å; F355-F391 HydrophobicContact CB-CD2 4.49Å; F355-F391 HydrophobicContact CB-CE2 4.27Å; F355-F391 HydrophobicContact CB-CZ 4.37Å; F355-F391 AromaticContact CD1-CD1 3.57Å; F355-F391 HydrophobicContact CD1-CD1 3.57Å; F355-F391 HydrophobicContact CD1-CD2 4.49Å; F355-F391 AromaticContact CD1-CE1 3.16Å; F355-F391 HydrophobicContact CD1-CE1 3.16Å; F355-F391 HydrophobicContact CD1-CE2 4.17Å; F355-F391 HydrophobicContact CD1-CG 4.23Å; F355-F391 AromaticContact CD1-CZ 3.51Å; F355-F391 HydrophobicContact CD1-CZ 3.51Å; F355-F391 HydrophobicContact CD2-CD1 4.07Å; F355-F391 HydrophobicContact CD2-CE1 4.47Å; F355-F391 HydrophobicContact CD2-CG 4.16Å; F355-F391 AromaticContact CE1-CD1 3.35Å; F355-F391 HydrophobicContact CE1-CD1 3.35Å; F355-F391 AromaticContact CE1-CE1 3.14Å; F355-F391 HydrophobicContact CE1-CE1 3.14Å; F355-F391 HydrophobicContact CE1-CG 4.33Å; F355-F391 AromaticContact CE1-CZ 3.98Å; F355-F391 HydrophobicContact CE1-CZ 3.98Å; F355-F391 AromaticContact CE2-CD1 3.86Å; F355-F391 HydrophobicContact CE2-CD1 3.86Å; F355-F391 HydrophobicContact CE2-CE1 4.44Å; F355-F391 HydrophobicContact CE2-CG 4.24Å; F355-F391 AromaticContact CG-CD1 3.93Å; F355-F391 HydrophobicContact CG-CD1 3.93Å; F355-F391 HydrophobicContact CG-CD2 4.3Å; F355-F391 AromaticContact CG-CE1 3.89Å; F355-F391 HydrophobicContact CG-CE1 3.89Å; F355-F391 HydrophobicContact CG-CE2 4.25Å; F355-F391 HydrophobicContact CG-CG 4.16Å; F355-F391 HydrophobicContact CG-CZ 4.05Å; F355-F391 AromaticContact CZ-CD1 3.5Å; F355-F391 HydrophobicContact CZ-CD1 3.5Å; F355-F391 AromaticContact CZ-CE1 3.83Å; F355-F391 HydrophobicContact CZ-CE1 3.83Å; F355-F391 HydrophobicContact CZ-CG 4.32Å
356	V	88.7	Confident	89	Confident	2 Å²	2	20.1 Å²	20.1	1%	0.012	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	142	168.9	-67.2	0	0	0	0	109	L136 L137 A142 Y143 V353 A363 A364	L136-V356 HydrophobicContact CB-CG1 4.33Å; L137-V356 HydrophobicContact CD2-CG1 4.3Å; A142-V356 HydrophobicContact CB-CG2 4.17Å; Y143-V356 HydrophobicContact CD1-CG2 4.06Å; V353-V356 HydrophobicContact CG1-CG1 3.42Å; V353-V356 VanDerWaalsContact CG1-CG1 3.42Å; V356-A363 WeakPolarHBondContact CA-O 3.45Å; V356-A364 HydrophobicContact CG1-CB 4.45Å
357	C	89.3	Confident	88.9	Confident	0 Å²	0	19.9 Å²	19.9	0%	0	10%	0.103	C	C	.	.			trans	-58.3	132.2	175.1	177.3	0	0	0	0	110.4	K104 Y359 A363 H397 C401	K104-C357 WeakPolarHBondContact CE-O 3.49Å; K104-C357 PolarHBondContact NZ-O 3.13Å; C357-Y359 VanDerWaalsContact C-N 3.26Å; C357-Y359 PolarHBondContact O-N 2.9Å; C357-Y359 PolarHBondContact SG-N 3.41Å; C357-Y359 VanDerWaalsContact SG-N 3.4Å; C357-A363 HydrophobicContact CB-CB 3.68Å; C357-A363 PolarHBondContact N-O 3.25Å; C357-H397 PolarHBondContact SG-NE2 2.84Å; C357-H397 VanDerWaalsContact SG-NE2 3.4Å; C357-C401 PolarHBondContact SG-SG 2.8Å
358	P	84.8	Confident	88.4	Confident	18 Å²	18	19.5 Å²	19.5	12%	0.117	10%	0.101	C	C	.	.	S	Bend	trans	-65.4	-25.8	177.1	19.9	-30.8	0	0	0	113.9	K104 Y143	K104-P358 WeakPolarHBondContact CE-O 3.46Å; K104-P358 WeakPolarHBondContact CG-O 3.38Å; Y143-P358 HydrophobicContact CE1-CB 3.81Å; Y143-P358 HydrophobicContact CE1-CG 4.38Å
359	Y	86.7	Confident	87.8	Confident	108 Å²	108	17 Å²	17	42%	0.424	8%	0.083	S	C	.	.	S	Bend	trans	-101.8	-39.7	-166.9	-51	-57.6	0	0	0	114.1	M103 C357	M103-Y359 WeakPolarHBondContact CB-O 3.29Å; C357-Y359 VanDerWaalsContact C-N 3.26Å; C357-Y359 PolarHBondContact O-N 2.9Å; C357-Y359 PolarHBondContact SG-N 3.41Å; C357-Y359 VanDerWaalsContact SG-N 3.4Å
360	C	92	Very high	86.8	Confident	1 Å²	1	14.8 Å²	14.8	1%	0.007	8%	0.075	C	C	.	.			trans	-108.1	171.5	179.5	78.9	0	0	0	0	112.5	K104 D362 H397 C401 M404	K104-C360 WeakPolarHBondContact CE-O 3.38Å; K104-C360 PolarHBondContact NZ-O 3.35Å; C360-D362 PolarHBondContact SG-N 2.71Å; C360-H397 PolarHBondContact SG-CE1 2.91Å; C360-C401 WeakPolarHBondContact CB-O 3.06Å; C360-M404 HydrophobicContact CB-CB 4.37Å
361	C	93.4	Very high	85.4	Confident	13 Å²	13	15 Å²	15	9%	0.088	8%	0.075	C	C	.	.	S	Bend	trans	-105	26	177.8	-61.9	0	0	0	0	112.6	M103 L137 H138	M103-C361 PolarHBondContact O-SG 3.29Å; L137-C361 WeakPolarHBondContact CB-O 3.5Å; L137-C361 WeakPolarHBondContact CD1-O 3.46Å; L137-C361 WeakPolarHBondContact O-CA 3.4Å; H138-C361 PolarHBondContact ND1-SG 2.83Å
362	D	93.2	Very high	83.5	Confident	21 Å²	21	14.5 Å²	14.5	11%	0.112	7%	0.074	C	C	.	.	S	Bend	trans	-136.4	11.2	-159.2	-67.8	-86.6	0	0	0	113.2	R339 C360 M404 N408	R339-D362 VanDerWaalsContact CD-O 3.24Å; R339-D362 WeakPolarHBondContact CD-O 3.39Å; R339-D362 WeakPolarHBondContact CG-O 3.25Å; R339-D362 IonicContact CZ-OD1 2.72Å; R339-D362 VanDerWaalsContact NH1-CG 3.3Å; R339-D362 IonicContact NH1-OD1 2.9Å; R339-D362 PolarHBondContact NH1-OD1 3.1Å; C360-D362 PolarHBondContact SG-N 2.71Å; D362-M404 HydrophobicContact CB-CE 4.4Å; D362-M404 HydrophobicContact CB-CG 3.4Å; D362-M404 VanDerWaalsContact CB-CG 3.4Å; D362-M404 HydrophobicContact CB-SD 4.04Å; D362-M404 WeakPolarHBondContact OD2-CG 3.46Å; D362-N408 PolarHBondContact OD1-ND2 3.27Å
363	A	92.9	Very high	81.4	Confident	1 Å²	1	16.5 Å²	16.5	1%	0.008	9%	0.088	C	C	.	.			trans	-141	110.9	-176.2	0	0	0	0	0	110.2	L344 V356 C357 Y365	L344-A363 HydrophobicContact CD2-CB 3.45Å; L344-A363 VanDerWaalsContact CD2-CB 3.45Å; V356-A363 WeakPolarHBondContact CA-O 3.45Å; C357-A363 HydrophobicContact CB-CB 3.68Å; C357-A363 PolarHBondContact N-O 3.25Å; A363-Y365 HydrophobicContact CB-CE2 3.98Å
364	A	92.5	Very high	79.4	Confident	1 Å²	1	16.6 Å²	16.6	1%	0.008	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	153.4	167.3	0	0	0	0	0	109.7	L137 R339 C343 L344 L350 V353 F355 V356	L137-A364 HydrophobicContact CD2-CB 3.86Å; R339-A364 WeakPolarHBondContact O-CB 3.38Å; C343-A364 WeakPolarHBondContact CA-O 3.46Å; L344-A364 PolarHBondContact N-O 2.9Å; L350-A364 HydrophobicContact CD1-CB 3.56Å; V353-A364 HydrophobicContact CG1-CB 3.85Å; F355-A364 CarbonylContact O-C 3.58Å; F355-A364 WeakPolarHBondContact O-CA 3.4Å; V356-A364 HydrophobicContact CG1-CB 4.45Å
365	Y	89.3	Confident	77.5	Confident	5 Å²	5	17.2 Å²	17.2	2%	0.02	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157.8	-175.2	-57.9	-93.5	0	0	0	111.4	L344 K345 G354 F355 A363 F391 L394 H397	L344-Y365 HydrophobicContact CB-CD1 4.49Å; L344-Y365 HydrophobicContact CB-CE1 4.02Å; K345-Y365 HydrophobicContact CB-CD1 4.43Å; G354-Y365 PolarHBondContact N-O 3.37Å; F355-Y365 HydrophobicContact CB-CD2 4.34Å; F355-Y365 AromaticContact CD1-CD2 3.69Å; F355-Y365 HydrophobicContact CD1-CD2 3.69Å; F355-Y365 AromaticContact CD1-CE2 3.98Å; F355-Y365 HydrophobicContact CD1-CE2 3.98Å; F355-Y365 HydrophobicContact CE1-CE2 4.47Å; F355-Y365 PolarHBondContact O-N 2.96Å; A363-Y365 HydrophobicContact CB-CE2 3.98Å; Y365-F391 HydrophobicContact CD1-CE2 4.43Å; Y365-F391 AromaticContact CD1-CZ 3.88Å; Y365-F391 HydrophobicContact CD1-CZ 3.88Å; Y365-F391 HydrophobicContact CD2-CE1 4.33Å; Y365-F391 HydrophobicContact CD2-CE2 4.49Å; Y365-F391 AromaticContact CD2-CZ 3.66Å; Y365-F391 HydrophobicContact CD2-CZ 3.66Å; Y365-F391 HydrophobicContact CE1-CZ 4Å; Y365-F391 HydrophobicContact CE2-CE1 4.14Å; Y365-F391 AromaticContact CE2-CZ 3.77Å; Y365-F391 HydrophobicContact CE2-CZ 3.77Å; Y365-F391 HydrophobicContact CG-CE2 4.2Å; Y365-F391 AromaticContact CG-CZ 3.69Å; Y365-F391 HydrophobicContact CG-CZ 3.69Å; Y365-F391 AromaticContact CZ-CZ 3.94Å; Y365-L394 HydrophobicContact CE1-CD1 4.14Å; Y365-L394 HydrophobicContact CE1-CG 4.37Å; Y365-H397 PolarHBondContact OH-CD2 2.98Å
366	C	87	Confident	75.5	Confident	7 Å²	7	19.3 Å²	19.3	5%	0.047	11%	0.108	C	C	.	.			trans	-54.1	146.1	179.1	-65.1	0	0	0	0	113.1	C343 L350 R371	C343-C366 WeakPolarHBondContact CB-SG 3.45Å; L350-C366 HydrophobicContact CD2-CB 4.47Å; C366-R371 PolarHBondContact O-NH2 3.16Å
367	E	83.3	Confident	73.7	Confident	4 Å²	4	21.1 Å²	21.1	2%	0.019	12%	0.115	C	C	.	.			trans	-38.1	148.1	153.5	-78.2	164.5	-166.3	0	0	113.4	S177 E180 S352 N370 R371	S177-E367 WeakPolarHBondContact CA-OE1 3.4Å; S177-E367 WeakPolarHBondContact CB-OE1 3.46Å; S177-E367 VanDerWaalsContact OG-CD 3.31Å; S177-E367 PolarHBondContact OG-OE1 3.02Å; S177-E367 PolarHBondContact OG-OE2 2.76Å; E180-E367 HydrophobicContact CB-CG 4.4Å; E180-E367 WeakPolarHBondContact OE1-CB 3.49Å; E180-E367 VanDerWaalsContact OE2-CA 3.25Å; E180-E367 WeakPolarHBondContact OE2-CA 3.23Å; E180-E367 VanDerWaalsContact OE2-CB 3.24Å; E180-E367 WeakPolarHBondContact OE2-CB 3.46Å; S352-E367 WeakPolarHBondContact CA-OE1 3.28Å; S352-E367 WeakPolarHBondContact CB-OE1 3.47Å; S352-E367 PolarHBondContact N-OE1 3.39Å; S352-E367 WeakPolarHBondContact OG-CG 2.97Å; S352-E367 PolarHBondContact OG-OE1 2.96Å; E367-N370 HydrophobicContact CB-CB 4.13Å; E367-N370 PolarHBondContact O-N 2.87Å; E367-N370 PolarHBondContact OE2-ND2 3.44Å; E367-R371 VanDerWaalsContact O-CG 3.31Å; E367-R371 WeakPolarHBondContact O-CG 3.4Å; E367-R371 PolarHBondContact O-N 2.85Å
368	L	77.7	Confident	71.9	Confident	2 Å²	2	21.9 Å²	21.9	1%	0.01	12%	0.119	C	C	.	.	S	Bend	trans	-68	-40.7	-179.1	-70.8	168	0	0	0	112	E180 I243 N370 R371 I381 L387 F388	E180-L368 PolarHBondContact OE2-N 3.4Å; I243-L368 HydrophobicContact CD1-CB 4.13Å; I243-L368 HydrophobicContact CG1-CB 4.37Å; I243-L368 HydrophobicContact CG1-CD1 4.48Å; I243-L368 HydrophobicContact CG2-CB 3.86Å; L368-N370 PolarHBondContact O-N 3.31Å; L368-R371 WeakPolarHBondContact O-CB 3.45Å; L368-R371 PolarHBondContact O-N 2.83Å; L368-R371 VanDerWaalsContact O-N 3.07Å; L368-I381 HydrophobicContact CD2-CD1 4.3Å; L368-L387 HydrophobicContact CD1-CB 4.3Å; L368-L387 HydrophobicContact CD1-CD1 3.99Å; L368-L387 HydrophobicContact CD1-CD2 4.05Å; L368-L387 HydrophobicContact CD1-CG 4.31Å; L368-L387 HydrophobicContact CD2-CD2 4.35Å; L368-F388 HydrophobicContact CD1-CE1 4.44Å; L368-F388 HydrophobicContact CD1-CE2 3.85Å; L368-F388 HydrophobicContact CD1-CZ 3.61Å; L368-F388 HydrophobicContact CG-CZ 4.36Å
369	S	73.4	Confident	70	Confident	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-25.3	178.9	68.8	0	0	0	0	112.8	E180 N250	E180-S369 WeakPolarHBondContact OE1-CA 3.4Å; E180-S369 WeakPolarHBondContact OE1-CB 3.3Å; E180-S369 PolarHBondContact OE1-N 3.17Å; E180-S369 PolarHBondContact OE1-OG 3.06Å; N250-S369 PolarHBondContact ND2-O 3.14Å
370	N	66.9	Low	67.9	Low	47 Å²	47	25.7 Å²	25.7	25%	0.251	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	2.9	175.2	-83.6	-38.1	0	0	0	113.3	E367 L368 T372 S373 C374	E367-N370 HydrophobicContact CB-CB 4.13Å; E367-N370 PolarHBondContact O-N 2.87Å; E367-N370 PolarHBondContact OE2-ND2 3.44Å; L368-N370 PolarHBondContact O-N 3.31Å; N370-T372 VanDerWaalsContact C-N 3.31Å; N370-T372 PolarHBondContact O-N 2.99Å; N370-S373 VanDerWaalsContact C-OG 3.29Å; N370-S373 WeakPolarHBondContact CA-OG 3.47Å; N370-S373 VanDerWaalsContact CB-OG 3.23Å; N370-S373 WeakPolarHBondContact CB-OG 3.13Å; N370-S373 CarbonylContact O-C 3.56Å; N370-S373 WeakPolarHBondContact O-CA 3.47Å; N370-S373 PolarHBondContact O-N 3.45Å; N370-S373 PolarHBondContact O-OG 3.41Å; N370-S373 PolarHBondContact OD1-OG 3.47Å; N370-C374 WeakPolarHBondContact O-CB 3.42Å; N370-C374 PolarHBondContact O-N 2.87Å
371	R	60.1	Low	65.6	Low	8 Å²	8	28.3 Å²	28.3	3%	0.03	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-24.4	178.1	-65.5	-170.6	-178.2	-140.3	6.4	113.7	C366 E367 L368 S373 C374 C378 F391	C366-R371 PolarHBondContact O-NH2 3.16Å; E367-R371 VanDerWaalsContact O-CG 3.31Å; E367-R371 WeakPolarHBondContact O-CG 3.4Å; E367-R371 PolarHBondContact O-N 2.85Å; L368-R371 WeakPolarHBondContact O-CB 3.45Å; L368-R371 PolarHBondContact O-N 2.83Å; L368-R371 VanDerWaalsContact O-N 3.07Å; R371-S373 VanDerWaalsContact C-N 3.35Å; R371-C374 CarbonylContact O-C 3.5Å; R371-C378 HydrophobicContact CB-CB 4.3Å; R371-C378 HydrophobicContact CG-CB 3.9Å; R371-C378 PolarHBondContact NH1-O 3.05Å; R371-F391 VanDerWaalsContact NH1-CD2 3.28Å
372	T	48.6	Very low	63.2	Low	46 Å²	46	32.7 Å²	32.7	28%	0.282	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-22.7	166.4	56.1	0	0	0	0	112	I247 K255 N370	I247-T372 HydrophobicContact CG1-CG2 4.47Å; I247-T372 HydrophobicContact CG2-CG2 3.57Å; K255-T372 PolarHBondContact NZ-O 2.98Å; N370-T372 VanDerWaalsContact C-N 3.31Å; N370-T372 PolarHBondContact O-N 2.99Å
373	S	47	Very low	60.6	Low	44 Å²	44	34.8 Å²	34.8	31%	0.308	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-36.7	171.9	66.4	0	0	0	0	113.1	K255 N370 R371 N375	K255-S373 VanDerWaalsContact NZ-CA 3.29Å; K255-S373 PolarHBondContact NZ-O 3.29Å; N370-S373 VanDerWaalsContact C-OG 3.29Å; N370-S373 WeakPolarHBondContact CA-OG 3.47Å; N370-S373 VanDerWaalsContact CB-OG 3.23Å; N370-S373 WeakPolarHBondContact CB-OG 3.13Å; N370-S373 CarbonylContact O-C 3.56Å; N370-S373 WeakPolarHBondContact O-CA 3.47Å; N370-S373 PolarHBondContact O-N 3.45Å; N370-S373 PolarHBondContact O-OG 3.41Å; N370-S373 PolarHBondContact OD1-OG 3.47Å; R371-S373 VanDerWaalsContact C-N 3.35Å; S373-N375 PolarHBondContact O-N 3.29Å
374	C	49.5	Very low	58.3	Low	5 Å²	5	37.2 Å²	37.2	3%	0.034	22%	0.217	C	C	.	.	S	Bend	trans	-67.8	58.4	161.3	176.5	0	0	0	0	110.1	C346 N370 R371 S376 Y377 C378	C346-C374 WeakPolarHBondContact CB-SG 3.4Å; C346-C374 PolarHBondContact SG-SG 3.22Å; N370-C374 WeakPolarHBondContact O-CB 3.42Å; N370-C374 PolarHBondContact O-N 2.87Å; R371-C374 CarbonylContact O-C 3.5Å; C374-S376 VanDerWaalsContact C-N 3.34Å; C374-S376 CarbonylContact O-C 3.57Å; C374-S376 PolarHBondContact O-N 3.02Å; C374-Y377 PolarHBondContact O-N 2.87Å; C374-C378 HydrophobicContact CB-CB 3.89Å; C374-C378 WeakPolarHBondContact CB-SG 3.37Å; C374-C378 WeakPolarHBondContact SG-CB 3.33Å; C374-C378 PolarHBondContact SG-N 2.96Å; C374-C378 CovalentContact SG-SG 2.06Å; C374-C378 PolarHBondContact SG-SG 2.75Å
375	N	44.5	Very low	55.9	Low	16 Å²	16	40.1 Å²	40.1	9%	0.086	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	19.5	63.2	170.8	-77	-10.6	0	0	0	115	H257 S373 Y377 E579	H257-N375 PolarHBondContact CE1-OD1 3.13Å; S373-N375 PolarHBondContact O-N 3.29Å; N375-Y377 HydrophobicContact CB-CD2 3.31Å; N375-Y377 HydrophobicContact CB-CE2 3.06Å; N375-Y377 HydrophobicContact CB-CG 4.36Å; N375-Y377 WeakPolarHBondContact O-CD1 3.4Å; N375-Y377 WeakPolarHBondContact O-CD2 3.46Å; N375-Y377 VanDerWaalsContact O-CE2 3.31Å; N375-Y377 WeakPolarHBondContact O-CE2 3.41Å; N375-Y377 PolarHBondContact O-N 3.43Å; N375-E579 PolarHBondContact ND2-OE1 2.92Å
376	S	44.2	Very low	53.8	Low	57 Å²	57	45.1 Å²	45.1	40%	0.399	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	-3.3	-176.7	37	0	0	0	0	118.3	C374	C374-S376 VanDerWaalsContact C-N 3.34Å; C374-S376 CarbonylContact O-C 3.57Å; C374-S376 PolarHBondContact O-N 3.02Å
377	Y	50.6	Low	51.9	Low	40 Å²	40	45.5 Å²	45.5	16%	0.157	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-25.4	-163.4	-61.6	-60.4	0	0	0	114.1	N324 D325 N327 C374 N375	N324-Y377 WeakPolarHBondContact O-CE1 3.4Å; N324-Y377 PolarHBondContact O-OH 3.32Å; D325-Y377 PolarHBondContact N-OH 3.03Å; N327-Y377 HydrophobicContact CB-CE2 4.22Å; N327-Y377 WeakPolarHBondContact ND2-CE2 3.41Å; N327-Y377 PolarHBondContact ND2-OH 3.18Å; C374-Y377 PolarHBondContact O-N 2.87Å; N375-Y377 HydrophobicContact CB-CD2 3.31Å; N375-Y377 HydrophobicContact CB-CE2 3.06Å; N375-Y377 HydrophobicContact CB-CG 4.36Å; N375-Y377 WeakPolarHBondContact O-CD1 3.4Å; N375-Y377 WeakPolarHBondContact O-CD2 3.46Å; N375-Y377 VanDerWaalsContact O-CE2 3.31Å; N375-Y377 WeakPolarHBondContact O-CE2 3.41Å; N375-Y377 PolarHBondContact O-N 3.43Å
378	C	52.5	Low	50.3	Low	15 Å²	15	46.5 Å²	46.5	10%	0.101	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-15	-175.2	-71.1	0	0	0	0	113	R371 C374	R371-C378 HydrophobicContact CB-CB 4.3Å; R371-C378 HydrophobicContact CG-CB 3.9Å; R371-C378 PolarHBondContact NH1-O 3.05Å; C374-C378 HydrophobicContact CB-CB 3.89Å; C374-C378 WeakPolarHBondContact CB-SG 3.37Å; C374-C378 WeakPolarHBondContact SG-CB 3.33Å; C374-C378 PolarHBondContact SG-N 2.96Å; C374-C378 CovalentContact SG-SG 2.06Å; C374-C378 PolarHBondContact SG-SG 2.75Å
379	A	45.3	Very low	48.8	Very low	35 Å²	35	55.4 Å²	55.4	29%	0.289	30%	0.296	S	S	.	.			trans	169	132.9	162.5	0	0	0	0	0	108.8	I381	A379-I381 HydrophobicContact CB-CG1 4.41Å; A379-I381 PolarHBondContact O-N 2.97Å; A379-I381 VanDerWaalsContact O-N 3.08Å
380	E	42	Very low	47.6	Very low	172 Å²	172	59.7 Å²	59.7	80%	0.804	32%	0.319	S	S	*	.			trans	-67.4	101.5	152.2	-75.6	-170.7	162.6	0	0	107.2	S382	E380-S382 PolarHBondContact O-N 2.9Å
381	I	43.1	Very low	47.2	Very low	55 Å²	55	58.9 Å²	58.9	28%	0.282	31%	0.313	S	S	.	.			trans	-73.4	81	166	-55.8	174.6	0	0	0	106.1	L368 A379 N383 P384 L387	L368-I381 HydrophobicContact CD2-CD1 4.3Å; A379-I381 HydrophobicContact CB-CG1 4.41Å; A379-I381 PolarHBondContact O-N 2.97Å; A379-I381 VanDerWaalsContact O-N 3.08Å; I381-N383 PolarHBondContact O-N 2.86Å; I381-P384 VanDerWaalsContact CG2-CA 3.41Å; I381-P384 HydrophobicContact CG2-CB 3.77Å; I381-L387 HydrophobicContact CD1-CD2 4.37Å
382	S	42.9	Very low	47.3	Very low	106 Å²	106	66.7 Å²	66.7	74%	0.741	35%	0.35	S	S	*	.	S	Bend	trans	-62.8	-25.8	173	56.3	0	0	0	0	110.8	E380	E380-S382 PolarHBondContact O-N 2.9Å
383	N	40.1	Very low	48.5	Very low	65 Å²	65	65.6 Å²	65.6	35%	0.348	34%	0.341	S	S	.	.			trans	-147.3	108.8	174	-165.1	-13.9	0	0	0	112.5	I381 S385 Y386	I381-N383 PolarHBondContact O-N 2.86Å; N383-S385 PolarHBondContact ND2-OG 3.01Å; N383-S385 PolarHBondContact O-N 3.23Å; N383-S385 VanDerWaalsContact O-N 3.1Å; N383-S385 PolarHBondContact OD1-N 3.42Å; N383-S385 VanDerWaalsContact OD1-N 3.1Å; N383-S385 PolarHBondContact OD1-OG 2.78Å; N383-Y386 HydrophobicContact CB-CD2 4.13Å; N383-Y386 PolarHBondContact O-N 2.9Å; N383-Y386 VanDerWaalsContact O-N 3.15Å
384	P	44.7	Very low	50	Low	52 Å²	52	64.7 Å²	64.7	34%	0.338	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-69.1	-7.3	179.6	30.9	-36	0	0	0	112.4	T240 I381 Y386 L387	T240-P384 HydrophobicContact CG2-CB 3.81Å; T240-P384 HydrophobicContact CG2-CG 4.34Å; T240-P384 WeakPolarHBondContact CG2-O 3.42Å; T240-P384 PolarHBondContact OG1-O 2.85Å; I381-P384 VanDerWaalsContact CG2-CA 3.41Å; I381-P384 HydrophobicContact CG2-CB 3.77Å; P384-Y386 PolarHBondContact O-N 3.45Å; P384-L387 HydrophobicContact CB-CD2 4.17Å; P384-L387 WeakPolarHBondContact O-CD2 3.21Å; P384-L387 WeakPolarHBondContact O-CG 3.1Å
385	S	42	Very low	51.6	Low	61 Å²	61	68.3 Å²	68.3	43%	0.427	36%	0.355	S	S	.	.	G	3₁₀ helix	trans	-71.7	-9.7	170.8	57	0	0	0	0	114.4	N383	N383-S385 PolarHBondContact ND2-OG 3.01Å; N383-S385 PolarHBondContact O-N 3.23Å; N383-S385 VanDerWaalsContact O-N 3.1Å; N383-S385 PolarHBondContact OD1-N 3.42Å; N383-S385 VanDerWaalsContact OD1-N 3.1Å; N383-S385 PolarHBondContact OD1-OG 2.78Å
386	Y	44.1	Very low	53.6	Low	111 Å²	111	67.8 Å²	67.8	44%	0.435	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-119.9	26.5	-179.3	-65	-75	0	0	0	113.9	N383 P384 F388 R389	N383-Y386 HydrophobicContact CB-CD2 4.13Å; N383-Y386 PolarHBondContact O-N 2.9Å; N383-Y386 VanDerWaalsContact O-N 3.15Å; P384-Y386 PolarHBondContact O-N 3.45Å; Y386-F388 PolarHBondContact O-N 3.04Å; Y386-R389 PolarHBondContact O-N 3.12Å
387	L	47.6	Very low	55.8	Low	15 Å²	15	65.1 Å²	65.1	8%	0.079	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-31	-34.4	-168.3	-70.1	171	0	0	0	118	L236 T240 L368 I381 P384	L236-L387 HydrophobicContact CD1-CD1 4.16Å; T240-L387 WeakPolarHBondContact OG1-CD1 3.45Å; L368-L387 HydrophobicContact CD1-CB 4.3Å; L368-L387 HydrophobicContact CD1-CD1 3.99Å; L368-L387 HydrophobicContact CD1-CD2 4.05Å; L368-L387 HydrophobicContact CD1-CG 4.31Å; L368-L387 HydrophobicContact CD2-CD2 4.35Å; I381-L387 HydrophobicContact CD1-CD2 4.37Å; P384-L387 HydrophobicContact CB-CD2 4.17Å; P384-L387 WeakPolarHBondContact O-CD2 3.21Å; P384-L387 WeakPolarHBondContact O-CG 3.1Å
388	F	50.4	Low	57.6	Low	24 Å²	24	67.7 Å²	67.7	11%	0.105	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.1	-14.6	-176.3	-61.1	-91	0	0	0	115.2	F144 F355 L368 Y386 D390 F391	F144-F388 HydrophobicContact CB-CD1 4.12Å; F144-F388 HydrophobicContact CB-CD2 3.69Å; F144-F388 HydrophobicContact CB-CE1 3.95Å; F144-F388 HydrophobicContact CB-CE2 3.48Å; F144-F388 VanDerWaalsContact CB-CE2 3.48Å; F144-F388 HydrophobicContact CB-CG 3.98Å; F144-F388 HydrophobicContact CB-CZ 3.61Å; F144-F388 HydrophobicContact CD1-CB 3.84Å; F144-F388 HydrophobicContact CD1-CD1 4.49Å; F144-F388 AromaticContact CD1-CD2 3.02Å; F144-F388 HydrophobicContact CD1-CD2 3.02Å; F144-F388 AromaticContact CD1-CE2 3.58Å; F144-F388 HydrophobicContact CD1-CE2 3.58Å; F144-F388 AromaticContact CD1-CG 3.55Å; F144-F388 HydrophobicContact CD1-CG 3.55Å; F144-F388 HydrophobicContact CD1-CZ 4.5Å; F144-F388 AromaticContact CE1-CD2 3.83Å; F144-F388 HydrophobicContact CE1-CD2 3.83Å; F144-F388 HydrophobicContact CE1-CE2 4.48Å; F144-F388 AromaticContact CG-CD2 3.61Å; F144-F388 HydrophobicContact CG-CD2 3.61Å; F144-F388 AromaticContact CG-CE2 3.66Å; F144-F388 HydrophobicContact CG-CE2 3.66Å; F144-F388 HydrophobicContact CG-CG 4.2Å; F144-F388 HydrophobicContact CG-CZ 4.31Å; F355-F388 HydrophobicContact CD2-CD1 4.32Å; L368-F388 HydrophobicContact CD1-CE1 4.44Å; L368-F388 HydrophobicContact CD1-CE2 3.85Å; L368-F388 HydrophobicContact CD1-CZ 3.61Å; L368-F388 HydrophobicContact CG-CZ 4.36Å; Y386-F388 PolarHBondContact O-N 3.04Å; F388-D390 PolarHBondContact O-N 3.41Å; F388-F391 PolarHBondContact O-N 3.48Å
389	R	44.6	Very low	59.3	Low	189 Å²	189	67.2 Å²	67.2	71%	0.713	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-28.6	173.8	-100.4	-172.2	75.1	-171.6	2.8	111.5	Y386	Y386-R389 PolarHBondContact O-N 3.12Å
390	D	47.9	Very low	61.6	Low	90 Å²	90	65.6 Å²	65.6	48%	0.481	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	6.9	-178	-57.3	-29.4	0	0	0	112.8	F388 Q392	F388-D390 PolarHBondContact O-N 3.41Å; D390-Q392 VanDerWaalsContact C-N 3.32Å; D390-Q392 PolarHBondContact O-N 2.87Å
391	F	59.5	Low	64.1	Low	31 Å²	31	57.6 Å²	57.6	14%	0.136	30%	0.295	C	S	.	.			trans	-67.7	95.1	172.8	-174.1	-91	0	0	0	109.5	F355 Y365 R371 F388 Q393	F355-F391 HydrophobicContact CB-CD2 4.49Å; F355-F391 HydrophobicContact CB-CE2 4.27Å; F355-F391 HydrophobicContact CB-CZ 4.37Å; F355-F391 AromaticContact CD1-CD1 3.57Å; F355-F391 HydrophobicContact CD1-CD1 3.57Å; F355-F391 HydrophobicContact CD1-CD2 4.49Å; F355-F391 AromaticContact CD1-CE1 3.16Å; F355-F391 HydrophobicContact CD1-CE1 3.16Å; F355-F391 HydrophobicContact CD1-CE2 4.17Å; F355-F391 HydrophobicContact CD1-CG 4.23Å; F355-F391 AromaticContact CD1-CZ 3.51Å; F355-F391 HydrophobicContact CD1-CZ 3.51Å; F355-F391 HydrophobicContact CD2-CD1 4.07Å; F355-F391 HydrophobicContact CD2-CE1 4.47Å; F355-F391 HydrophobicContact CD2-CG 4.16Å; F355-F391 AromaticContact CE1-CD1 3.35Å; F355-F391 HydrophobicContact CE1-CD1 3.35Å; F355-F391 AromaticContact CE1-CE1 3.14Å; F355-F391 HydrophobicContact CE1-CE1 3.14Å; F355-F391 HydrophobicContact CE1-CG 4.33Å; F355-F391 AromaticContact CE1-CZ 3.98Å; F355-F391 HydrophobicContact CE1-CZ 3.98Å; F355-F391 AromaticContact CE2-CD1 3.86Å; F355-F391 HydrophobicContact CE2-CD1 3.86Å; F355-F391 HydrophobicContact CE2-CE1 4.44Å; F355-F391 HydrophobicContact CE2-CG 4.24Å; F355-F391 AromaticContact CG-CD1 3.93Å; F355-F391 HydrophobicContact CG-CD1 3.93Å; F355-F391 HydrophobicContact CG-CD2 4.3Å; F355-F391 AromaticContact CG-CE1 3.89Å; F355-F391 HydrophobicContact CG-CE1 3.89Å; F355-F391 HydrophobicContact CG-CE2 4.25Å; F355-F391 HydrophobicContact CG-CG 4.16Å; F355-F391 HydrophobicContact CG-CZ 4.05Å; F355-F391 AromaticContact CZ-CD1 3.5Å; F355-F391 HydrophobicContact CZ-CD1 3.5Å; F355-F391 AromaticContact CZ-CE1 3.83Å; F355-F391 HydrophobicContact CZ-CE1 3.83Å; F355-F391 HydrophobicContact CZ-CG 4.32Å; Y365-F391 HydrophobicContact CD1-CE2 4.43Å; Y365-F391 AromaticContact CD1-CZ 3.88Å; Y365-F391 HydrophobicContact CD1-CZ 3.88Å; Y365-F391 HydrophobicContact CD2-CE1 4.33Å; Y365-F391 HydrophobicContact CD2-CE2 4.49Å; Y365-F391 AromaticContact CD2-CZ 3.66Å; Y365-F391 HydrophobicContact CD2-CZ 3.66Å; Y365-F391 HydrophobicContact CE1-CZ 4Å; Y365-F391 HydrophobicContact CE2-CE1 4.14Å; Y365-F391 AromaticContact CE2-CZ 3.77Å; Y365-F391 HydrophobicContact CE2-CZ 3.77Å; Y365-F391 HydrophobicContact CG-CE2 4.2Å; Y365-F391 AromaticContact CG-CZ 3.69Å; Y365-F391 HydrophobicContact CG-CZ 3.69Å; Y365-F391 AromaticContact CZ-CZ 3.94Å; R371-F391 VanDerWaalsContact NH1-CD2 3.28Å; F388-F391 PolarHBondContact O-N 3.48Å; F391-Q393 HydrophobicContact CD1-CG 4.36Å; F391-Q393 HydrophobicContact CE1-CG 3.87Å
392	Q	62.5	Low	66.4	Low	171 Å²	171	58.4 Å²	58.4	80%	0.799	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-84.5	116.2	171.3	-66.8	-174.5	-7.2	0	0	108.6	D390	D390-Q392 VanDerWaalsContact C-N 3.32Å; D390-Q392 PolarHBondContact O-N 2.87Å
393	Q	73.2	Confident	68.8	Low	23 Å²	23	53.5 Å²	53.5	11%	0.107	26%	0.26	C	S	.	.	P	Polyproline II helix	trans	-57.5	146.9	166.2	-72.8	178.9	36.9	0	0	109.4	F391 V395 H397 L398	F391-Q393 HydrophobicContact CD1-CG 4.36Å; F391-Q393 HydrophobicContact CE1-CG 3.87Å; Q393-V395 PolarHBondContact O-N 3Å; Q393-H397 PolarHBondContact OE1-CD2 3.38Å; Q393-H397 VanDerWaalsContact OE1-CD2 3.27Å; Q393-L398 HydrophobicContact CB-CD1 4.48Å; Q393-L398 HydrophobicContact CB-CD2 3.81Å; Q393-L398 HydrophobicContact CB-CG 3.95Å; Q393-L398 HydrophobicContact CG-CD2 4.5Å
394	L	79.9	Confident	71.3	Confident	26 Å²	26	50.6 Å²	50.6	14%	0.136	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-60.3	136.1	179.3	-53.5	171.3	0	0	0	109.6	K345 Y365 W396 H397 L398	K345-L394 HydrophobicContact CB-CD1 3.82Å; K345-L394 HydrophobicContact CB-CD2 4.43Å; K345-L394 HydrophobicContact CD-CD1 3.73Å; K345-L394 HydrophobicContact CD-CD2 3.52Å; K345-L394 HydrophobicContact CD-CG 4.26Å; K345-L394 HydrophobicContact CG-CD1 4.22Å; K345-L394 HydrophobicContact CG-CD2 4.09Å; Y365-L394 HydrophobicContact CE1-CD1 4.14Å; Y365-L394 HydrophobicContact CE1-CG 4.37Å; L394-W396 VanDerWaalsContact C-N 3.25Å; L394-W396 HydrophobicContact CB-CD2 4.05Å; L394-W396 HydrophobicContact CB-CG 4.34Å; L394-W396 HydrophobicContact CB-CZ2 4.3Å; L394-W396 HydrophobicContact CD1-CD2 4.34Å; L394-W396 VanDerWaalsContact CD1-CE2 3.47Å; L394-W396 HydrophobicContact CD1-CH2 3.65Å; L394-W396 HydrophobicContact CD1-CZ2 3.12Å; L394-W396 HydrophobicContact CD1-CZ3 4.4Å; L394-W396 HydrophobicContact CG-CZ2 4.3Å; L394-W396 PolarHBondContact O-N 2.87Å; L394-H397 HydrophobicContact CB-CB 3.98Å; L394-H397 CarbonylContact O-C 3.56Å; L394-H397 WeakPolarHBondContact O-CA 3.2Å; L394-H397 WeakPolarHBondContact O-CB 3.29Å; L394-H397 PolarHBondContact O-N 3.32Å; L394-L398 PolarHBondContact O-N 2.91Å
395	V	81.5	Confident	73.5	Confident	81 Å²	81	50 Å²	50	49%	0.491	24%	0.236	S	C	.	.	H	α-helix	trans	-57	-39.7	-177.9	-69.2	0	0	0	0	112.5	Q393 H397 L398 A399 W421	Q393-V395 PolarHBondContact O-N 3Å; V395-H397 VanDerWaalsContact C-N 3.34Å; V395-L398 PolarHBondContact O-N 3.41Å; V395-A399 PolarHBondContact O-N 3Å; V395-W421 HydrophobicContact CB-CH2 3.85Å; V395-W421 HydrophobicContact CB-CZ2 4.48Å; V395-W421 HydrophobicContact CG2-CH2 3.69Å; V395-W421 HydrophobicContact CG2-CZ3 4.23Å
396	W	86.9	Confident	75.9	Confident	5 Å²	5	47 Å²	47	2%	0.019	22%	0.216	C	C	.	.	H	α-helix	trans	-70.2	-30.2	174.5	55.5	-106.3	0	0	0	112.4	E330 L344 L394 A399 E400 W421	E330-W396 HydrophobicContact CB-CG 4.39Å; L344-W396 HydrophobicContact CD1-CH2 3.78Å; L344-W396 HydrophobicContact CD1-CZ3 3.97Å; L344-W396 HydrophobicContact CD2-CH2 4.18Å; L344-W396 HydrophobicContact CD2-CZ3 4.04Å; L344-W396 HydrophobicContact CG-CH2 3.58Å; L344-W396 HydrophobicContact CG-CZ3 3.91Å; L344-W396 WeakPolarHBondContact O-CH2 3.24Å; L394-W396 VanDerWaalsContact C-N 3.25Å; L394-W396 HydrophobicContact CB-CD2 4.05Å; L394-W396 HydrophobicContact CB-CG 4.34Å; L394-W396 HydrophobicContact CB-CZ2 4.3Å; L394-W396 HydrophobicContact CD1-CD2 4.34Å; L394-W396 VanDerWaalsContact CD1-CE2 3.47Å; L394-W396 HydrophobicContact CD1-CH2 3.65Å; L394-W396 HydrophobicContact CD1-CZ2 3.12Å; L394-W396 HydrophobicContact CD1-CZ3 4.4Å; L394-W396 HydrophobicContact CG-CZ2 4.3Å; L394-W396 PolarHBondContact O-N 2.87Å; W396-A399 WeakPolarHBondContact O-CB 3.36Å; W396-A399 PolarHBondContact O-N 2.83Å; W396-E400 VanDerWaalsContact O-CG 3.31Å; W396-E400 WeakPolarHBondContact O-CG 3.47Å; W396-E400 PolarHBondContact O-N 3.34Å; W396-W421 HydrophobicContact CB-CE3 3.85Å; W396-W421 HydrophobicContact CB-CH2 4.37Å; W396-W421 HydrophobicContact CB-CZ3 3.68Å
397	H	90.8	Very high	78.4	Confident	0 Å²	0	41.8 Å²	41.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-69.7	-41	173.6	176.7	55.3	0	0	0	110.4	L344 C357 C360 Y365 Q393 L394 V395 A399 E400 C401	L344-H397 HydrophobicContact CD2-CB 4.26Å; C357-H397 PolarHBondContact SG-NE2 2.84Å; C357-H397 VanDerWaalsContact SG-NE2 3.4Å; C360-H397 PolarHBondContact SG-CE1 2.91Å; Y365-H397 PolarHBondContact OH-CD2 2.98Å; Q393-H397 PolarHBondContact OE1-CD2 3.38Å; Q393-H397 VanDerWaalsContact OE1-CD2 3.27Å; L394-H397 HydrophobicContact CB-CB 3.98Å; L394-H397 CarbonylContact O-C 3.56Å; L394-H397 WeakPolarHBondContact O-CA 3.2Å; L394-H397 WeakPolarHBondContact O-CB 3.29Å; L394-H397 PolarHBondContact O-N 3.32Å; V395-H397 VanDerWaalsContact C-N 3.34Å; H397-A399 PolarHBondContact O-N 2.82Å; H397-E400 CarbonylContact O-C 3.51Å; H397-E400 PolarHBondContact O-N 3.02Å; H397-C401 WeakPolarHBondContact O-CA 3.35Å; H397-C401 WeakPolarHBondContact O-CB 3.27Å; H397-C401 PolarHBondContact O-N 3.42Å
398	L	87.4	Confident	80.6	Confident	95 Å²	95	42 Å²	42	50%	0.497	20%	0.197	S	C	.	.	H	α-helix	trans	-57.9	-37.9	176.5	-69.8	173.2	0	0	0	111.8	Q393 L394 V395 E400	Q393-L398 HydrophobicContact CB-CD1 4.48Å; Q393-L398 HydrophobicContact CB-CD2 3.81Å; Q393-L398 HydrophobicContact CB-CG 3.95Å; Q393-L398 HydrophobicContact CG-CD2 4.5Å; L394-L398 PolarHBondContact O-N 2.91Å; V395-L398 PolarHBondContact O-N 3.41Å; L398-E400 VanDerWaalsContact C-N 3.26Å; L398-E400 PolarHBondContact O-N 2.79Å
399	A	89.9	Confident	82.6	Confident	4 Å²	4	41 Å²	41	3%	0.033	19%	0.193	C	C	.	.	H	α-helix	trans	-63.7	-28.2	174.3	0	0	0	0	0	113.8	V395 W396 H397 F403 F417 W421 S475	V395-A399 PolarHBondContact O-N 3Å; W396-A399 WeakPolarHBondContact O-CB 3.36Å; W396-A399 PolarHBondContact O-N 2.83Å; H397-A399 PolarHBondContact O-N 2.82Å; A399-F403 WeakPolarHBondContact O-CD2 3.43Å; A399-F417 HydrophobicContact CB-CE1 4.4Å; A399-F417 HydrophobicContact CB-CZ 4.34Å; A399-W421 HydrophobicContact CB-CD2 4.04Å; A399-W421 HydrophobicContact CB-CG 4.05Å; A399-W421 HydrophobicContact CB-CZ2 4.2Å; A399-W421 VanDerWaalsContact CB-NE1 3.28Å; A399-S475 VanDerWaalsContact CA-OG 3.27Å; A399-S475 WeakPolarHBondContact CA-OG 3.31Å; A399-S475 WeakPolarHBondContact CB-OG 3.33Å
400	E	93.7	Very high	85	Confident	1 Å²	1	32.9 Å²	32.9	1%	0.005	16%	0.163	C	C	.	.	H	α-helix	trans	-99.8	-27.6	-177.2	-65.1	170.1	157.8	0	0	113.3	W396 H397 L398 R402 F403 M404 L407 H414 F417 R418	W396-E400 VanDerWaalsContact O-CG 3.31Å; W396-E400 WeakPolarHBondContact O-CG 3.47Å; W396-E400 PolarHBondContact O-N 3.34Å; H397-E400 CarbonylContact O-C 3.51Å; H397-E400 PolarHBondContact O-N 3.02Å; L398-E400 VanDerWaalsContact C-N 3.26Å; L398-E400 PolarHBondContact O-N 2.79Å; E400-R402 VanDerWaalsContact C-N 3.29Å; E400-R402 PolarHBondContact O-N 2.99Å; E400-R402 VanDerWaalsContact O-N 3.13Å; E400-F403 CarbonylContact O-C 3.51Å; E400-F403 WeakPolarHBondContact O-CA 3.45Å; E400-F403 PolarHBondContact O-N 2.83Å; E400-M404 HydrophobicContact CB-CE 3.74Å; E400-M404 PolarHBondContact O-N 3.36Å; E400-L407 HydrophobicContact CB-CD1 3.82Å; E400-L407 HydrophobicContact CG-CD1 3.91Å; E400-H414 IonicContact OE1-CD2 2.65Å; E400-H414 IonicContact OE1-NE2 3.49Å; E400-H414 PolarHBondContact OE1-NE2 3.48Å; E400-H414 IonicContact OE2-NE2 3.51Å; E400-F417 HydrophobicContact CB-CE1 4.47Å; E400-F417 HydrophobicContact CG-CD1 3.82Å; E400-F417 HydrophobicContact CG-CE1 3.43Å; E400-F417 VanDerWaalsContact CG-CE1 3.43Å; E400-R418 IonicContact OE1-CZ 3.79Å; E400-R418 IonicContact OE1-NE 2.67Å; E400-R418 PolarHBondContact OE1-NE 3.47Å; E400-R418 IonicContact OE1-NH2 3.64Å; E400-R418 PolarHBondContact OE1-NH2 3.29Å; E400-R418 IonicContact OE2-CZ 3.32Å; E400-R418 IonicContact OE2-NE 2.67Å; E400-R418 IonicContact OE2-NH2 3.1Å; E400-R418 PolarHBondContact OE2-NH2 3.22Å
401	C	92.6	Very high	87	Confident	4 Å²	4	31 Å²	31	3%	0.027	16%	0.164	C	C	.	.	H	α-helix	trans	-53.5	-46.4	-158.6	-176.9	0	0	0	0	112.2	C357 C360 H397 F403	C357-C401 PolarHBondContact SG-SG 2.8Å; C360-C401 WeakPolarHBondContact CB-O 3.06Å; H397-C401 WeakPolarHBondContact O-CA 3.35Å; H397-C401 WeakPolarHBondContact O-CB 3.27Å; H397-C401 PolarHBondContact O-N 3.42Å; C401-F403 VanDerWaalsContact C-N 3.33Å
402	R	91.6	Very high	88.7	Confident	72 Å²	72	31.4 Å²	31.4	27%	0.272	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-21.6	-179.6	-63.6	-61.2	-177.3	167.7	1.5	113.5	L96 E400	L96-R402 WeakPolarHBondContact O-CB 3.39Å; E400-R402 VanDerWaalsContact C-N 3.29Å; E400-R402 PolarHBondContact O-N 2.99Å; E400-R402 VanDerWaalsContact O-N 3.13Å
403	F	94.2	Very high	90.4	Very high	4 Å²	4	23.3 Å²	23.3	2%	0.018	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	-0.5	-177.1	-50.3	-68.9	0	0	0	113.2	I93 L96 N97 A399 E400 C401 F405 L406 L407 I471 C474	I93-F403 HydrophobicContact CG2-CD1 4.36Å; I93-F403 HydrophobicContact CG2-CE1 3.8Å; L96-F403 HydrophobicContact CB-CD1 4.09Å; L96-F403 HydrophobicContact CB-CE1 4.2Å; L96-F403 HydrophobicContact CD1-CD1 4.4Å; N97-F403 HydrophobicContact CB-CE1 3.93Å; N97-F403 HydrophobicContact CB-CZ 3.77Å; A399-F403 WeakPolarHBondContact O-CD2 3.43Å; E400-F403 CarbonylContact O-C 3.51Å; E400-F403 WeakPolarHBondContact O-CA 3.45Å; E400-F403 PolarHBondContact O-N 2.83Å; C401-F403 VanDerWaalsContact C-N 3.33Å; F403-F405 PolarHBondContact O-N 3.02Å; F403-F405 VanDerWaalsContact O-N 3.1Å; F403-L406 CarbonylContact O-C 3.53Å; F403-L406 WeakPolarHBondContact O-CA 3.43Å; F403-L406 WeakPolarHBondContact O-CB 3.32Å; F403-L406 PolarHBondContact O-N 3.09Å; F403-L407 HydrophobicContact CB-CD1 4.01Å; F403-L407 HydrophobicContact CB-CG 4.02Å; F403-L407 PolarHBondContact O-N 3.1Å; F403-I471 HydrophobicContact CB-CG2 3.97Å; F403-I471 HydrophobicContact CD1-CG2 3.97Å; F403-I471 HydrophobicContact CD2-CG2 3.45Å; F403-I471 VanDerWaalsContact CD2-CG2 3.45Å; F403-I471 HydrophobicContact CE1-CG2 4.33Å; F403-I471 HydrophobicContact CE2-CG2 3.85Å; F403-I471 HydrophobicContact CG-CG2 3.5Å; F403-I471 VanDerWaalsContact CG-CG2 3.5Å; F403-I471 HydrophobicContact CZ-CG2 4.27Å; F403-C474 HydrophobicContact CZ-CB 3.9Å
404	M	92.6	Very high	91.5	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.015	13%	0.126	C	C	.	.	H	α-helix	trans	-52.8	-39	-171.7	-166.5	61.3	67.8	0	0	113.7	R339 C360 D362 E400 L406 L407 N408 H414	R339-M404 PolarHBondContact NH1-SD 2.72Å; C360-M404 HydrophobicContact CB-CB 4.37Å; D362-M404 HydrophobicContact CB-CE 4.4Å; D362-M404 HydrophobicContact CB-CG 3.4Å; D362-M404 VanDerWaalsContact CB-CG 3.4Å; D362-M404 HydrophobicContact CB-SD 4.04Å; D362-M404 WeakPolarHBondContact OD2-CG 3.46Å; E400-M404 HydrophobicContact CB-CE 3.74Å; E400-M404 PolarHBondContact O-N 3.36Å; M404-L406 VanDerWaalsContact C-N 3.32Å; M404-L406 PolarHBondContact O-N 2.97Å; M404-L407 PolarHBondContact O-N 3.19Å; M404-N408 VanDerWaalsContact O-CB 3.24Å; M404-N408 WeakPolarHBondContact O-CB 3.49Å; M404-N408 PolarHBondContact O-N 3.19Å; M404-N408 PolarHBondContact O-ND2 2.9Å; M404-H414 PolarHBondContact SD-CE1 3.35Å
405	F	90.6	Very high	92.4	Very high	39 Å²	39	21.1 Å²	21.1	17%	0.171	12%	0.119	C	C	.	.	H	α-helix	trans	-56	-45.3	173.6	171.9	-102.3	0	0	0	112.9	M1 S19 L21 F92 M103 F403	M1-F405 HydrophobicContact CE-CD1 3.64Å; M1-F405 HydrophobicContact CE-CD2 3.36Å; M1-F405 HydrophobicContact CE-CE1 3.51Å; M1-F405 HydrophobicContact CE-CE2 3.2Å; M1-F405 HydrophobicContact CE-CG 3.57Å; M1-F405 HydrophobicContact CE-CZ 3.3Å; M1-F405 HydrophobicContact SD-CD2 3.79Å; M1-F405 HydrophobicContact SD-CE2 3.57Å; M1-F405 VanDerWaalsContact SD-CE2 3.57Å; M1-F405 HydrophobicContact SD-CZ 4.17Å; S19-F405 WeakPolarHBondContact OG-CE2 3.16Å; S19-F405 WeakPolarHBondContact OG-CZ 3.47Å; L21-F405 HydrophobicContact CD2-CE1 3.74Å; L21-F405 HydrophobicContact CD2-CZ 4.4Å; F92-F405 HydrophobicContact CE1-CD1 4.39Å; F92-F405 HydrophobicContact CE1-CE1 4.32Å; F92-F405 HydrophobicContact CZ-CD1 4.26Å; F92-F405 HydrophobicContact CZ-CE1 4.13Å; M103-F405 HydrophobicContact CE-CB 3.67Å; M103-F405 HydrophobicContact CE-CD2 4.08Å; M103-F405 HydrophobicContact CE-CG 4.16Å; M103-F405 HydrophobicContact SD-CB 4.23Å; F403-F405 PolarHBondContact O-N 3.02Å; F403-F405 VanDerWaalsContact O-N 3.1Å
406	L	93.3	Very high	93.2	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-76.5	-48.3	179.7	-177.5	58.4	0	0	0	110.5	W22 I89 I93 L96 F403 M404 N408 S409 M410 L467 I471	W22-L406 HydrophobicContact CB-CD1 4.25Å; I89-L406 HydrophobicContact CD1-CD1 4.25Å; I89-L406 HydrophobicContact CD1-CD2 4.4Å; I93-L406 HydrophobicContact CG1-CD2 4.06Å; L96-L406 HydrophobicContact CD1-CB 4.46Å; F403-L406 CarbonylContact O-C 3.53Å; F403-L406 WeakPolarHBondContact O-CA 3.43Å; F403-L406 WeakPolarHBondContact O-CB 3.32Å; F403-L406 PolarHBondContact O-N 3.09Å; M404-L406 VanDerWaalsContact C-N 3.32Å; M404-L406 PolarHBondContact O-N 2.97Å; L406-N408 VanDerWaalsContact C-N 3.3Å; L406-N408 PolarHBondContact O-N 3.33Å; L406-S409 WeakPolarHBondContact O-CA 3.4Å; L406-S409 WeakPolarHBondContact O-CB 3.24Å; L406-S409 PolarHBondContact O-N 2.95Å; L406-S409 PolarHBondContact O-OG 3.3Å; L406-M410 WeakPolarHBondContact O-CG 3.4Å; L406-L467 HydrophobicContact CD1-CD2 4.1Å; L406-L467 HydrophobicContact CD2-CD1 4.22Å; L406-L467 HydrophobicContact CD2-CD2 3.98Å; L406-L467 HydrophobicContact CD2-CG 4.5Å; L406-L467 HydrophobicContact CG-CD2 4.14Å; L406-I471 HydrophobicContact CD2-CD1 3.92Å; L406-I471 HydrophobicContact CG-CD1 4.44Å
407	L	95.7	Very high	93.7	Very high	0 Å²	0	17 Å²	17	0%	0	10%	0.095	C	C	.	.	H	α-helix	trans	-55.6	-43.8	179.2	-68.9	174.4	0	0	0	112	E400 F403 M404 S409 M410 H414 F417 I471	E400-L407 HydrophobicContact CB-CD1 3.82Å; E400-L407 HydrophobicContact CG-CD1 3.91Å; F403-L407 HydrophobicContact CB-CD1 4.01Å; F403-L407 HydrophobicContact CB-CG 4.02Å; F403-L407 PolarHBondContact O-N 3.1Å; M404-L407 PolarHBondContact O-N 3.19Å; L407-S409 PolarHBondContact O-N 2.65Å; L407-M410 HydrophobicContact CD2-SD 4.12Å; L407-M410 WeakPolarHBondContact O-CB 3.41Å; L407-M410 PolarHBondContact O-N 3.31Å; L407-H414 HydrophobicContact CB-CB 4.27Å; L407-F417 HydrophobicContact CD1-CD1 4.05Å; L407-F417 HydrophobicContact CD1-CE1 4.3Å; L407-F417 HydrophobicContact CD1-CG 4.43Å; L407-F417 HydrophobicContact CD2-CB 3.84Å; L407-F417 HydrophobicContact CD2-CD1 4.21Å; L407-F417 HydrophobicContact CD2-CD2 4.1Å; L407-F417 HydrophobicContact CD2-CG 3.77Å; L407-I471 HydrophobicContact CD2-CD1 4.1Å
408	N	93.3	Very high	93.9	Very high	20 Å²	20	17.1 Å²	17.1	11%	0.107	10%	0.096	C	C	.	.	H	α-helix	trans	-59.3	-30.8	176.7	-69.9	-18.3	0	0	0	112.4	V18 R339 D362 M404 L406 M410 H414	V18-N408 VanDerWaalsContact CG1-C 3.45Å; V18-N408 HydrophobicContact CG1-CB 3.8Å; V18-N408 WeakPolarHBondContact CG1-O 3.35Å; R339-N408 VanDerWaalsContact CZ-OD1 3.29Å; R339-N408 PolarHBondContact NH1-ND2 2.86Å; R339-N408 PolarHBondContact NH1-OD1 3.28Å; R339-N408 PolarHBondContact NH2-OD1 3.48Å; D362-N408 PolarHBondContact OD1-ND2 3.27Å; M404-N408 VanDerWaalsContact O-CB 3.24Å; M404-N408 WeakPolarHBondContact O-CB 3.49Å; M404-N408 PolarHBondContact O-N 3.19Å; M404-N408 PolarHBondContact O-ND2 2.9Å; L406-N408 VanDerWaalsContact C-N 3.3Å; L406-N408 PolarHBondContact O-N 3.33Å; N408-M410 PolarHBondContact O-N 3.25Å; N408-H414 PolarHBondContact OD1-ND1 3.16Å
409	S	93.5	Very high	94.2	Very high	4 Å²	4	13.1 Å²	13.1	3%	0.028	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-2	178.6	72.9	0	0	0	0	115	S19 W22 T23 L406 L407	S19-S409 WeakPolarHBondContact O-CA 3.37Å; S19-S409 WeakPolarHBondContact O-CB 3.42Å; W22-S409 WeakPolarHBondContact CB-OG 3.48Å; W22-S409 PolarHBondContact N-OG 3.48Å; T23-S409 PolarHBondContact OG1-O 3.28Å; L406-S409 WeakPolarHBondContact O-CA 3.4Å; L406-S409 WeakPolarHBondContact O-CB 3.24Å; L406-S409 PolarHBondContact O-N 2.95Å; L406-S409 PolarHBondContact O-OG 3.3Å; L407-S409 PolarHBondContact O-N 2.65Å
410	M	94.4	Very high	94.4	Very high	18 Å²	18	13.1 Å²	13.1	9%	0.089	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.7	0.5	-173.8	-50.8	172.1	83.8	0	0	113.2	W22 L406 L407 N408 L412 G413 T464 L467 I468	W22-M410 HydrophobicContact CB-CG 4.24Å; W22-M410 HydrophobicContact CG-CG 3.94Å; L406-M410 WeakPolarHBondContact O-CG 3.4Å; L407-M410 HydrophobicContact CD2-SD 4.12Å; L407-M410 WeakPolarHBondContact O-CB 3.41Å; L407-M410 PolarHBondContact O-N 3.31Å; N408-M410 PolarHBondContact O-N 3.25Å; M410-L412 PolarHBondContact O-N 3.07Å; M410-G413 PolarHBondContact O-N 3.11Å; M410-T464 HydrophobicContact CB-CG2 4.47Å; M410-T464 HydrophobicContact CE-CG2 3.66Å; M410-L467 HydrophobicContact CE-CB 3.94Å; M410-L467 HydrophobicContact CE-CD2 3.34Å; M410-L467 HydrophobicContact CE-CG 3.72Å; M410-L467 HydrophobicContact SD-CD2 4.02Å; M410-I468 HydrophobicContact CE-CD1 4.36Å; M410-I468 HydrophobicContact CE-CG1 3.72Å
411	G	91	Very high	94.4	Very high	49 Å²	49	13.7 Å²	13.7	51%	0.505	8%	0.077	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-124.2	-176.1	0	0	0	0	0	112.2	G413 H414	G411-G413 PolarHBondContact O-N 2.93Å; G411-G413 VanDerWaalsContact O-N 3.1Å; G411-H414 PolarHBondContact O-N 2.82Å; G411-H414 VanDerWaalsContact O-N 3.1Å
412	L	94.6	Very high	94.2	Very high	40 Å²	40	13.5 Å²	13.5	21%	0.209	8%	0.075	C	C	.	.	H	α-helix	trans	-61.4	-14.8	175.2	-69.6	176.3	0	0	0	113.3	M410 H414 L415 C416 L505 A509 T556	M410-L412 PolarHBondContact O-N 3.07Å; L412-H414 PolarHBondContact O-N 3.32Å; L412-L415 PolarHBondContact O-N 3.28Å; L412-L415 VanDerWaalsContact O-N 3.12Å; L412-C416 PolarHBondContact O-N 3.06Å; L412-L505 HydrophobicContact CB-CB 4.47Å; L412-L505 HydrophobicContact CD1-CB 4.15Å; L412-A509 HydrophobicContact CD2-CB 4.19Å; L412-T556 HydrophobicContact CD2-CG2 4.3Å
413	G	97.2	Very high	94	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.01	7%	0.073	C	C	.	.	H	α-helix	trans	-59.6	-27.8	171	0	0	0	0	0	113.9	M410 G411 C416 F417 I468	M410-G413 PolarHBondContact O-N 3.11Å; G411-G413 PolarHBondContact O-N 2.93Å; G411-G413 VanDerWaalsContact O-N 3.1Å; G413-C416 PolarHBondContact O-N 2.87Å; G413-F417 PolarHBondContact O-N 2.87Å; G413-I468 VanDerWaalsContact O-CD1 3.3Å; G413-I468 WeakPolarHBondContact O-CD1 3.42Å
414	H	97.3	Very high	93.4	Very high	3 Å²	3	15.5 Å²	15.5	1%	0.014	9%	0.085	C	C	.	.	H	α-helix	trans	-67.7	-46.8	172.2	-169.3	167.3	0	0	0	111.1	L333 R339 E400 M404 L407 N408 G411 L412 C416 F417 R418	L333-H414 HydrophobicContact CD2-CB 3.73Å; R339-H414 PolarHBondContact NH2-CE1 3.31Å; E400-H414 IonicContact OE1-CD2 2.65Å; E400-H414 IonicContact OE1-NE2 3.49Å; E400-H414 PolarHBondContact OE1-NE2 3.48Å; E400-H414 IonicContact OE2-NE2 3.51Å; M404-H414 PolarHBondContact SD-CE1 3.35Å; L407-H414 HydrophobicContact CB-CB 4.27Å; N408-H414 PolarHBondContact OD1-ND1 3.16Å; G411-H414 PolarHBondContact O-N 2.82Å; G411-H414 VanDerWaalsContact O-N 3.1Å; L412-H414 PolarHBondContact O-N 3.32Å; H414-C416 VanDerWaalsContact C-N 3.26Å; H414-C416 PolarHBondContact O-N 3.07Å; H414-F417 WeakPolarHBondContact O-CB 3.24Å; H414-F417 PolarHBondContact O-N 2.88Å; H414-R418 PolarHBondContact NE2-NH2 3.39Å; H414-R418 PolarHBondContact O-N 2.9Å
415	L	97.5	Very high	92.7	Very high	0 Å²	0	19.9 Å²	19.9	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.1	-40.1	175.9	178	61.2	0	0	0	110.1	L333 L412 F417 R418 L419 L505 T556	L333-L415 HydrophobicContact CB-CB 4.26Å; L333-L415 HydrophobicContact CB-CD1 4.02Å; L333-L415 HydrophobicContact CD2-CB 3.99Å; L412-L415 PolarHBondContact O-N 3.28Å; L412-L415 VanDerWaalsContact O-N 3.12Å; L415-F417 PolarHBondContact O-N 3.5Å; L415-R418 PolarHBondContact O-N 3.11Å; L415-L419 HydrophobicContact CD1-CD1 4.32Å; L415-L419 HydrophobicContact CD1-CD2 4.45Å; L415-L419 HydrophobicContact CD1-CG 4.1Å; L415-L419 HydrophobicContact CG-CD1 4.07Å; L415-L419 HydrophobicContact CG-CG 4.3Å; L415-L419 VanDerWaalsContact O-CG 3.3Å; L415-L419 WeakPolarHBondContact O-CG 3.47Å; L415-L419 PolarHBondContact O-N 3.46Å; L415-L505 HydrophobicContact CB-CD1 4.34Å; L415-L505 HydrophobicContact CD2-CD1 4.34Å; L415-L505 HydrophobicContact CD2-CD2 3.75Å; L415-L505 HydrophobicContact CG-CD1 4.23Å; L415-L505 HydrophobicContact CG-CD2 4.3Å; L415-T556 HydrophobicContact CD2-CG2 4.08Å
416	C	98.1	Very high	91.9	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.2	-44.2	174.8	-171.6	0	0	0	0	112.6	L412 G413 H414 L419 A420 I468 C498 L502 L505	L412-C416 PolarHBondContact O-N 3.06Å; G413-C416 PolarHBondContact O-N 2.87Å; H414-C416 VanDerWaalsContact C-N 3.26Å; H414-C416 PolarHBondContact O-N 3.07Å; C416-L419 PolarHBondContact O-N 2.85Å; C416-A420 VanDerWaalsContact O-CB 3.3Å; C416-A420 WeakPolarHBondContact O-CB 3.47Å; C416-A420 PolarHBondContact O-N 3.36Å; C416-I468 HydrophobicContact CB-CD1 3.99Å; C416-C498 PolarHBondContact SG-O 2.8Å; C416-L502 HydrophobicContact CB-CD2 3.92Å; C416-L502 HydrophobicContact CB-CG 4.17Å; C416-L505 HydrophobicContact CB-CD1 3.84Å
417	F	97.5	Very high	89.9	Confident	1 Å²	1	29.4 Å²	29.4	0%	0.004	15%	0.147	C	C	.	.	H	α-helix	trans	-57.4	-49.1	173.5	171.2	-87.4	0	0	0	110.9	A399 E400 L407 G413 H414 L415 L419 A420 W421 I468 I471 L472	A399-F417 HydrophobicContact CB-CE1 4.4Å; A399-F417 HydrophobicContact CB-CZ 4.34Å; E400-F417 HydrophobicContact CB-CE1 4.47Å; E400-F417 HydrophobicContact CG-CD1 3.82Å; E400-F417 HydrophobicContact CG-CE1 3.43Å; E400-F417 VanDerWaalsContact CG-CE1 3.43Å; L407-F417 HydrophobicContact CD1-CD1 4.05Å; L407-F417 HydrophobicContact CD1-CE1 4.3Å; L407-F417 HydrophobicContact CD1-CG 4.43Å; L407-F417 HydrophobicContact CD2-CB 3.84Å; L407-F417 HydrophobicContact CD2-CD1 4.21Å; L407-F417 HydrophobicContact CD2-CD2 4.1Å; L407-F417 HydrophobicContact CD2-CG 3.77Å; G413-F417 PolarHBondContact O-N 2.87Å; H414-F417 WeakPolarHBondContact O-CB 3.24Å; H414-F417 PolarHBondContact O-N 2.88Å; L415-F417 PolarHBondContact O-N 3.5Å; F417-L419 PolarHBondContact O-N 3.19Å; F417-A420 WeakPolarHBondContact O-CB 3.4Å; F417-A420 PolarHBondContact O-N 3.45Å; F417-W421 HydrophobicContact CE1-CB 4.47Å; F417-W421 WeakPolarHBondContact O-CB 3.42Å; F417-W421 PolarHBondContact O-N 2.85Å; F417-I468 HydrophobicContact CB-CG1 4.45Å; F417-I468 HydrophobicContact CB-CG2 4.11Å; F417-I468 HydrophobicContact CD2-CG2 4.11Å; F417-I471 HydrophobicContact CD2-CB 4.33Å; F417-I471 HydrophobicContact CD2-CG2 4.07Å; F417-I471 HydrophobicContact CE2-CB 4.04Å; F417-I471 HydrophobicContact CE2-CG2 3.49Å; F417-I471 VanDerWaalsContact CE2-CG2 3.49Å; F417-I471 HydrophobicContact CZ-CG2 4.15Å; F417-L472 HydrophobicContact CD2-CD2 3.87Å; F417-L472 HydrophobicContact CD2-CG 3.93Å; F417-L472 HydrophobicContact CE2-CD2 3.55Å; F417-L472 HydrophobicContact CE2-CG 3.79Å; F417-L472 HydrophobicContact CZ-CD2 4.11Å
418	R	95.1	Very high	87.8	Confident	2 Å²	2	31.9 Å²	31.9	1%	0.008	16%	0.158	C	C	.	.	H	α-helix	trans	-58.8	-48.1	-179.6	-172.8	166.6	-59.3	179.8	-1.6	111.5	E330 L332 L333 E400 H414 L415 A420 W421 L422	E330-R418 WeakPolarHBondContact O-CD 3.28Å; E330-R418 WeakPolarHBondContact O-CG 3.31Å; L332-R418 PolarHBondContact O-NH1 2.75Å; L333-R418 VanDerWaalsContact CD1-NH2 3.33Å; E400-R418 IonicContact OE1-CZ 3.79Å; E400-R418 IonicContact OE1-NE 2.67Å; E400-R418 PolarHBondContact OE1-NE 3.47Å; E400-R418 IonicContact OE1-NH2 3.64Å; E400-R418 PolarHBondContact OE1-NH2 3.29Å; E400-R418 IonicContact OE2-CZ 3.32Å; E400-R418 IonicContact OE2-NE 2.67Å; E400-R418 IonicContact OE2-NH2 3.1Å; E400-R418 PolarHBondContact OE2-NH2 3.22Å; H414-R418 PolarHBondContact NE2-NH2 3.39Å; H414-R418 PolarHBondContact O-N 2.9Å; L415-R418 PolarHBondContact O-N 3.11Å; R418-A420 PolarHBondContact O-N 3.08Å; R418-W421 PolarHBondContact O-N 3.38Å; R418-L422 HydrophobicContact CG-CD1 4.06Å; R418-L422 WeakPolarHBondContact O-CB 3.43Å; R418-L422 VanDerWaalsContact O-CG 3.26Å; R418-L422 WeakPolarHBondContact O-CG 3.41Å; R418-L422 PolarHBondContact O-N 2.84Å
419	L	94.9	Very high	85.3	Confident	10 Å²	10	32.8 Å²	32.8	5%	0.052	17%	0.165	C	C	.	.	H	α-helix	trans	-63.4	-40.3	177.3	-64.5	176.9	0	0	0	112.1	Y331 L415 C416 F417 L422 R423 W497 L505	Y331-L419 HydrophobicContact CD1-CD2 3.7Å; Y331-L419 HydrophobicContact CE1-CD2 4.47Å; L415-L419 HydrophobicContact CD1-CD1 4.32Å; L415-L419 HydrophobicContact CD1-CD2 4.45Å; L415-L419 HydrophobicContact CD1-CG 4.1Å; L415-L419 HydrophobicContact CG-CD1 4.07Å; L415-L419 HydrophobicContact CG-CG 4.3Å; L415-L419 VanDerWaalsContact O-CG 3.3Å; L415-L419 WeakPolarHBondContact O-CG 3.47Å; L415-L419 PolarHBondContact O-N 3.46Å; C416-L419 PolarHBondContact O-N 2.85Å; F417-L419 PolarHBondContact O-N 3.19Å; L419-L422 PolarHBondContact O-N 3.43Å; L419-R423 VanDerWaalsContact O-CB 3.27Å; L419-R423 WeakPolarHBondContact O-CB 3.31Å; L419-R423 PolarHBondContact O-N 2.83Å; L419-W497 HydrophobicContact CB-CH2 4.05Å; L419-L505 HydrophobicContact CD1-CD1 4.44Å; L419-L505 HydrophobicContact CD1-CD2 3.99Å
420	A	94.2	Very high	82.9	Confident	4 Å²	4	35.3 Å²	35.3	3%	0.033	18%	0.183	C	C	.	.	H	α-helix	trans	-63.7	-41.1	176.8	0	0	0	0	0	112.2	C416 F417 R418 Q424 L472 W497	C416-A420 VanDerWaalsContact O-CB 3.3Å; C416-A420 WeakPolarHBondContact O-CB 3.47Å; C416-A420 PolarHBondContact O-N 3.36Å; F417-A420 WeakPolarHBondContact O-CB 3.4Å; F417-A420 PolarHBondContact O-N 3.45Å; R418-A420 PolarHBondContact O-N 3.08Å; A420-Q424 WeakPolarHBondContact O-CG 3.34Å; A420-Q424 PolarHBondContact O-N 2.71Å; A420-L472 HydrophobicContact CB-CD1 3.6Å; A420-L472 HydrophobicContact CB-CD2 4.23Å; A420-W497 HydrophobicContact CB-CE3 3.99Å; A420-W497 HydrophobicContact CB-CH2 4.49Å; A420-W497 HydrophobicContact CB-CZ3 3.56Å
421	W	92.6	Very high	80.6	Confident	13 Å²	13	37.5 Å²	37.5	5%	0.049	20%	0.204	C	C	.	.	H	α-helix	trans	-66.8	-48.5	177.5	-173.2	89.6	0	0	0	110.9	V395 W396 A399 F417 R418 R423 Q424 H425 Y426 L472	V395-W421 HydrophobicContact CB-CH2 3.85Å; V395-W421 HydrophobicContact CB-CZ2 4.48Å; V395-W421 HydrophobicContact CG2-CH2 3.69Å; V395-W421 HydrophobicContact CG2-CZ3 4.23Å; W396-W421 HydrophobicContact CB-CE3 3.85Å; W396-W421 HydrophobicContact CB-CH2 4.37Å; W396-W421 HydrophobicContact CB-CZ3 3.68Å; A399-W421 HydrophobicContact CB-CD2 4.04Å; A399-W421 HydrophobicContact CB-CG 4.05Å; A399-W421 HydrophobicContact CB-CZ2 4.2Å; A399-W421 VanDerWaalsContact CB-NE1 3.28Å; F417-W421 HydrophobicContact CE1-CB 4.47Å; F417-W421 WeakPolarHBondContact O-CB 3.42Å; F417-W421 PolarHBondContact O-N 2.85Å; R418-W421 PolarHBondContact O-N 3.38Å; W421-R423 VanDerWaalsContact C-N 3.27Å; W421-R423 PolarHBondContact O-N 3.36Å; W421-Q424 WeakPolarHBondContact O-CB 3.49Å; W421-Q424 PolarHBondContact O-N 3.22Å; W421-H425 AromaticContact CD1-CD2 3.9Å; W421-H425 AromaticContact CD1-NE2 3.97Å; W421-H425 AromaticContact CD2-CD2 3.57Å; W421-H425 AromaticContact CE2-CD2 3.18Å; W421-H425 AromaticContact CE2-CG 3.9Å; W421-H425 AromaticContact CE2-NE2 3.35Å; W421-H425 VanDerWaalsContact CE2-NE2 3.35Å; W421-H425 HydrophobicContact CE3-CB 4.49Å; W421-H425 HydrophobicContact CH2-CB 4.12Å; W421-H425 AromaticContact CH2-CD2 3.94Å; W421-H425 AromaticContact CH2-CG 3.8Å; W421-H425 HydrophobicContact CZ2-CB 4.46Å; W421-H425 AromaticContact CZ2-CD2 3.41Å; W421-H425 VanDerWaalsContact CZ2-CD2 3.41Å; W421-H425 WeakPolarHBondContact CZ2-CD2 3.5Å; W421-H425 AromaticContact CZ2-CE1 3.78Å; W421-H425 AromaticContact CZ2-CG 3.67Å; W421-H425 AromaticContact CZ2-ND1 3.89Å; W421-H425 AromaticContact CZ2-NE2 3.5Å; W421-H425 WeakPolarHBondContact CZ2-NE2 3.23Å; W421-H425 HydrophobicContact CZ3-CB 4.15Å; W421-H425 AromaticContact NE1-CD2 3.41Å; W421-H425 PolarHBondContact NE1-CD2 2.76Å; W421-H425 AromaticContact NE1-NE2 3.21Å; W421-H425 PolarHBondContact NE1-NE2 2.73Å; W421-H425 PolarHBondContact O-CD2 2.64Å; W421-H425 PolarHBondContact O-N 2.9Å; W421-H425 VanDerWaalsContact O-N 3.13Å; W421-Y426 HydrophobicContact CZ3-CE2 4.44Å; W421-L472 HydrophobicContact CB-CD2 3.81Å; W421-L472 HydrophobicContact CG-CD2 4.46Å
422	L	89.5	Confident	78.4	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.9	-41.6	176.4	-69.3	170.4	0	0	0	111.6	E330 Y331 R418 L419 Q424 H425 Y426	E330-L422 HydrophobicContact CB-CD1 4.3Å; E330-L422 HydrophobicContact CB-CD2 4.16Å; E330-L422 HydrophobicContact CG-CD1 4.27Å; E330-L422 HydrophobicContact CG-CD2 4.09Å; E330-L422 VanDerWaalsContact O-CD1 3.32Å; E330-L422 WeakPolarHBondContact O-CD1 3.42Å; Y331-L422 HydrophobicContact CD1-CD1 3.69Å; Y331-L422 HydrophobicContact CD2-CD1 4.31Å; Y331-L422 HydrophobicContact CE1-CB 4.08Å; Y331-L422 HydrophobicContact CE1-CD1 3.68Å; Y331-L422 HydrophobicContact CE1-CG 4.48Å; Y331-L422 HydrophobicContact CE2-CD1 4.31Å; Y331-L422 HydrophobicContact CG-CD1 4.01Å; R418-L422 HydrophobicContact CG-CD1 4.06Å; R418-L422 WeakPolarHBondContact O-CB 3.43Å; R418-L422 VanDerWaalsContact O-CG 3.26Å; R418-L422 WeakPolarHBondContact O-CG 3.41Å; R418-L422 PolarHBondContact O-N 2.84Å; L419-L422 PolarHBondContact O-N 3.43Å; L422-Q424 PolarHBondContact O-N 3.44Å; L422-H425 PolarHBondContact O-N 3.46Å; L422-Y426 HydrophobicContact CB-CD2 4.33Å; L422-Y426 HydrophobicContact CD2-CD2 3.7Å; L422-Y426 HydrophobicContact CD2-CE2 3.44Å; L422-Y426 VanDerWaalsContact CD2-CE2 3.44Å; L422-Y426 WeakPolarHBondContact O-CB 3.4Å; L422-Y426 PolarHBondContact O-N 3.47Å
423	R	85.8	Confident	75.9	Confident	57 Å²	57	45.2 Å²	45.2	22%	0.215	23%	0.23	C	C	.	.	H	α-helix	trans	-57.1	-36.3	176.1	-176.7	177.4	177	-101.6	1.5	113.1	L419 W421 H428	L419-R423 VanDerWaalsContact O-CB 3.27Å; L419-R423 WeakPolarHBondContact O-CB 3.31Å; L419-R423 PolarHBondContact O-N 2.83Å; W421-R423 VanDerWaalsContact C-N 3.27Å; W421-R423 PolarHBondContact O-N 3.36Å; R423-H428 HydrophobicContact CG-CB 3.95Å
424	Q	83	Confident	73.1	Confident	61 Å²	61	50.7 Å²	50.7	29%	0.285	26%	0.26	S	S	.	.	H	α-helix	trans	-76.9	-36.2	179.2	-68.5	172.6	35	0	0	112.7	A420 W421 L422 S476 Q494	A420-Q424 WeakPolarHBondContact O-CG 3.34Å; A420-Q424 PolarHBondContact O-N 2.71Å; W421-Q424 WeakPolarHBondContact O-CB 3.49Å; W421-Q424 PolarHBondContact O-N 3.22Å; L422-Q424 PolarHBondContact O-N 3.44Å; Q424-S476 PolarHBondContact OE1-OG 2.99Å; Q424-Q494 VanDerWaalsContact CD-NE2 3.26Å
425	H	77.5	Confident	70.6	Confident	96 Å²	96	58 Å²	58	44%	0.444	30%	0.297	S	S	.	.	H	α-helix	trans	-91.5	-29.6	-172.5	-79.4	-86.8	0	0	0	113.9	W421 L422	W421-H425 AromaticContact CD1-CD2 3.9Å; W421-H425 AromaticContact CD1-NE2 3.97Å; W421-H425 AromaticContact CD2-CD2 3.57Å; W421-H425 AromaticContact CE2-CD2 3.18Å; W421-H425 AromaticContact CE2-CG 3.9Å; W421-H425 AromaticContact CE2-NE2 3.35Å; W421-H425 VanDerWaalsContact CE2-NE2 3.35Å; W421-H425 HydrophobicContact CE3-CB 4.49Å; W421-H425 HydrophobicContact CH2-CB 4.12Å; W421-H425 AromaticContact CH2-CD2 3.94Å; W421-H425 AromaticContact CH2-CG 3.8Å; W421-H425 HydrophobicContact CZ2-CB 4.46Å; W421-H425 AromaticContact CZ2-CD2 3.41Å; W421-H425 VanDerWaalsContact CZ2-CD2 3.41Å; W421-H425 WeakPolarHBondContact CZ2-CD2 3.5Å; W421-H425 AromaticContact CZ2-CE1 3.78Å; W421-H425 AromaticContact CZ2-CG 3.67Å; W421-H425 AromaticContact CZ2-ND1 3.89Å; W421-H425 AromaticContact CZ2-NE2 3.5Å; W421-H425 WeakPolarHBondContact CZ2-NE2 3.23Å; W421-H425 HydrophobicContact CZ3-CB 4.15Å; W421-H425 AromaticContact NE1-CD2 3.41Å; W421-H425 PolarHBondContact NE1-CD2 2.76Å; W421-H425 AromaticContact NE1-NE2 3.21Å; W421-H425 PolarHBondContact NE1-NE2 2.73Å; W421-H425 PolarHBondContact O-CD2 2.64Å; W421-H425 PolarHBondContact O-N 2.9Å; W421-H425 VanDerWaalsContact O-N 3.13Å; L422-H425 PolarHBondContact O-N 3.46Å
426	Y	72.9	Confident	68.3	Low	106 Å²	106	65.1 Å²	65.1	42%	0.416	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.7	70.5	177	-64.1	-79.9	0	0	0	109.3	W421 L422 H428	W421-Y426 HydrophobicContact CZ3-CE2 4.44Å; L422-Y426 HydrophobicContact CB-CD2 4.33Å; L422-Y426 HydrophobicContact CD2-CD2 3.7Å; L422-Y426 HydrophobicContact CD2-CE2 3.44Å; L422-Y426 VanDerWaalsContact CD2-CE2 3.44Å; L422-Y426 WeakPolarHBondContact O-CB 3.4Å; L422-Y426 PolarHBondContact O-N 3.47Å; Y426-H428 PolarHBondContact O-N 2.91Å
427	H	53.1	Low	66.2	Low	133 Å²	133	71.5 Å²	71.5	62%	0.616	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-3.2	82.4	178.7	-78.3	-72.9	0	0	0	113.8	R314	R314-H427 PolarHBondContact NH2-O 3.07Å
428	H	49.9	Very low	64.4	Low	51 Å²	51	73.2 Å²	73.2	24%	0.236	38%	0.378	C	S	.	.	P	Polyproline II helix	trans	-71.3	131.2	159.4	-91.1	-92.9	0	0	0	105.6	R423 Y426 S430	R423-H428 HydrophobicContact CG-CB 3.95Å; Y426-H428 PolarHBondContact O-N 2.91Å; H428-S430 PolarHBondContact O-N 3.48Å
429	P	42.3	Very low	63.1	Low	40 Å²	40	77 Å²	77	26%	0.26	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-48.9	120.4	176.4	-22.7	30.4	0	0	0	108.3	E433 N438	P429-E433 HydrophobicContact CB-CB 4.46Å; P429-N438 HydrophobicContact CG-CB 4.06Å
430	S	42.7	Very low	62.5	Low	56 Å²	56	77.9 Å²	77.9	39%	0.392	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-60.9	154.5	169.9	68.2	0	0	0	0	108.2	H428 D432 E433	H428-S430 PolarHBondContact O-N 3.48Å; S430-D432 PolarHBondContact O-N 3.1Å; S430-E433 PolarHBondContact O-N 2.86Å
431	A	46.8	Very low	62.3	Low	65 Å²	65	78 Å²	78	54%	0.537	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-21.7	179.1	0	0	0	0	0	113.5
432	D	43.4	Very low	62.1	Low	141 Å²	141	78.6 Å²	78.6	75%	0.754	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-19.8	177.5	-71.3	-30.8	0	0	0	113.7	S430 N434	S430-D432 PolarHBondContact O-N 3.1Å; D432-N434 PolarHBondContact O-N 3.03Å
433	E	43.3	Very low	62.1	Low	110 Å²	110	79.5 Å²	79.5	51%	0.514	42%	0.417	S	S	.	.	S	Bend	trans	-88.5	88.2	172.7	-74.6	-176.4	174.2	0	0	109	P429 S430	P429-E433 HydrophobicContact CB-CB 4.46Å; S430-E433 PolarHBondContact O-N 2.86Å
434	N	37.8	Very low	62.4	Low	116 Å²	116	78 Å²	78	62%	0.62	41%	0.413	S	S	*	.			trans	16	109.4	168	-74.2	-18.6	0	0	0	116	D432 D436 N437	D432-N434 PolarHBondContact O-N 3.03Å; N434-D436 PolarHBondContact O-N 2.74Å; N434-N437 PolarHBondContact O-N 2.84Å; N434-N437 VanDerWaalsContact O-N 3.09Å
435	I	45.1	Very low	62.9	Low	157 Å²	157	79.6 Å²	79.6	81%	0.805	42%	0.421	S	S	*	.	G	3₁₀ helix	trans	-43.2	-22.6	168.2	-67.4	168.8	0	0	0	113.2	N437	I435-N437 VanDerWaalsContact C-N 3.31Å; I435-N437 PolarHBondContact O-N 2.52Å
436	D	48	Very low	63.7	Low	148 Å²	148	75.3 Å²	75.3	79%	0.791	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-69.3	-10.4	178.5	-73.2	-26.2	0	0	0	116.3	N434	N434-D436 PolarHBondContact O-N 2.74Å
437	N	54.7	Low	64.6	Low	134 Å²	134	73.7 Å²	73.7	72%	0.717	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-98.2	-10.1	-174.5	-83	-12.8	0	0	0	116.4	N434 I435	N434-N437 PolarHBondContact O-N 2.84Å; N434-N437 VanDerWaalsContact O-N 3.09Å; I435-N437 VanDerWaalsContact C-N 3.31Å; I435-N437 PolarHBondContact O-N 2.52Å
438	N	59.9	Low	66.5	Low	37 Å²	37	68.8 Å²	68.8	20%	0.198	38%	0.379	C	S	.	.			trans	-130.8	97.8	171.5	-167.6	-7.5	0	0	0	110.5	P429 F440	P429-N438 HydrophobicContact CG-CB 4.06Å; N438-F440 PolarHBondContact O-N 3.07Å; N438-F440 VanDerWaalsContact OD1-CD2 3.28Å; N438-F440 WeakPolarHBondContact OD1-CD2 3.28Å; N438-F440 PolarHBondContact OD1-N 3.2Å
439	P	67.8	Low	68.6	Low	82 Å²	82	68.5 Å²	68.5	53%	0.532	38%	0.378	S	S	.	.			trans	-72.2	-7.7	-175.5	31.1	-35.9	0	0	0	113.2
440	F	82.3	Confident	71.2	Confident	28 Å²	28	66.7 Å²	66.7	12%	0.123	37%	0.366	C	S	.	.	S	Bend	trans	-90.3	143.1	-170	-57.8	-59.7	0	0	0	113.2	H272 W310 A311 H317 N438 T442	H272-F440 HydrophobicContact CB-CD1 3.61Å; H272-F440 HydrophobicContact CB-CE1 3.67Å; H272-F440 AromaticContact CD2-CE1 3.83Å; H272-F440 AromaticContact CG-CE1 3.84Å; W310-F440 HydrophobicContact CB-CD1 4.42Å; W310-F440 HydrophobicContact CB-CG 4.33Å; A311-F440 HydrophobicContact CB-CB 3.87Å; H317-F440 AromaticContact CE1-CE2 3.12Å; H317-F440 WeakPolarHBondContact CE1-CE2 3.06Å; H317-F440 AromaticContact CE1-CZ 3.36Å; H317-F440 WeakPolarHBondContact CE1-CZ 3.45Å; H317-F440 AromaticContact NE2-CE2 3.5Å; N438-F440 PolarHBondContact O-N 3.07Å; N438-F440 VanDerWaalsContact OD1-CD2 3.28Å; N438-F440 WeakPolarHBondContact OD1-CD2 3.28Å; N438-F440 PolarHBondContact OD1-N 3.2Å; F440-T442 VanDerWaalsContact O-CG2 3.29Å; F440-T442 WeakPolarHBondContact O-CG2 3.36Å
441	F	89.2	Confident	73.8	Confident	8 Å²	8	68.4 Å²	68.4	4%	0.035	37%	0.374	C	S	.	.			trans	-58.9	133.4	171	-170.4	-105.1	0	0	0	112	L270 Y271 Q445 L446 P560 L564	L270-F441 PolarHBondContact O-N 3.14Å; Y271-F441 HydrophobicContact CD1-CB 3.78Å; Y271-F441 HydrophobicContact CD1-CD1 4.39Å; Y271-F441 HydrophobicContact CD1-CD2 4.05Å; Y271-F441 AromaticContact CD1-CG 3.82Å; Y271-F441 HydrophobicContact CD1-CG 3.82Å; Y271-F441 HydrophobicContact CE1-CB 4.09Å; Y271-F441 AromaticContact CE1-CD2 3.52Å; Y271-F441 HydrophobicContact CE1-CD2 3.52Å; Y271-F441 HydrophobicContact CE1-CE2 4.04Å; Y271-F441 AromaticContact CE1-CG 3.8Å; Y271-F441 HydrophobicContact CE1-CG 3.8Å; F441-Q445 HydrophobicContact CD2-CB 4.01Å; F441-Q445 HydrophobicContact CE2-CB 3.39Å; F441-Q445 HydrophobicContact CE2-CG 4.31Å; F441-Q445 HydrophobicContact CZ-CB 3.76Å; F441-L446 HydrophobicContact CE1-CD2 3.82Å; F441-L446 HydrophobicContact CE1-CG 4.48Å; F441-L446 HydrophobicContact CZ-CD2 4.13Å; F441-P560 HydrophobicContact CD1-CB 3.7Å; F441-P560 HydrophobicContact CE1-CB 3.94Å; F441-P560 WeakPolarHBondContact CE1-O 3.24Å; F441-L564 HydrophobicContact CD1-CD1 4.34Å; F441-L564 HydrophobicContact CE1-CD1 4.05Å; F441-L564 HydrophobicContact CE1-CD2 4.12Å; F441-L564 HydrophobicContact CE1-CG 4.12Å; F441-L564 HydrophobicContact CZ-CD1 4.18Å; F441-L564 HydrophobicContact CZ-CD2 3.82Å; F441-L564 HydrophobicContact CZ-CG 4.29Å
442	T	89.3	Confident	76.1	Confident	24 Å²	24	69 Å²	69	15%	0.147	37%	0.369	C	S	.	.			trans	-121.9	165.9	-173.2	73.3	0	0	0	0	113.3	A311 F440 D444 Q445	A311-T442 HydrophobicContact CB-CG2 3.68Å; F440-T442 VanDerWaalsContact O-CG2 3.29Å; F440-T442 WeakPolarHBondContact O-CG2 3.36Å; T442-D444 PolarHBondContact O-N 3.4Å; T442-D444 PolarHBondContact OG1-N 2.86Å; T442-Q445 PolarHBondContact O-N 3.36Å; T442-Q445 VanDerWaalsContact O-N 3.15Å
443	T	90.2	Very high	78.6	Confident	19 Å²	19	62.4 Å²	62.4	12%	0.117	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-50	-39.5	172	-60.9	0	0	0	0	113.6	Q445 L446 R504 L558	T443-Q445 PolarHBondContact O-N 3.48Å; T443-Q445 VanDerWaalsContact O-N 3.15Å; T443-L446 WeakPolarHBondContact O-CB 3.13Å; T443-L446 PolarHBondContact O-N 2.8Å; T443-L446 VanDerWaalsContact O-N 3.07Å; T443-R504 WeakPolarHBondContact O-CD 3.26Å; T443-L558 HydrophobicContact CG2-CD2 3.36Å; T443-L558 WeakPolarHBondContact OG1-CD2 3.45Å
444	D	91.4	Very high	81.2	Confident	26 Å²	26	62.2 Å²	62.2	14%	0.139	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-64.9	-24.2	-174.6	-70.4	-3.3	0	0	0	112.6	N62 T442 L446 W497 R504	N62-D444 WeakPolarHBondContact ND2-CB 3.32Å; N62-D444 PolarHBondContact ND2-OD2 3.31Å; T442-D444 PolarHBondContact O-N 3.4Å; T442-D444 PolarHBondContact OG1-N 2.86Å; D444-L446 VanDerWaalsContact C-N 3.31Å; D444-W497 PolarHBondContact OD1-NE1 2.85Å; D444-R504 PolarHBondContact O-NE 3.37Å; D444-R504 PolarHBondContact O-NH2 3.04Å
445	Q	92.6	Very high	84	Confident	95 Å²	95	58 Å²	58	44%	0.444	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-85.1	-1.1	-179.6	-62.3	172.5	-74.2	0	0	112.7	R288 F441 T442 T443	R288-Q445 PolarHBondContact NH1-O 3Å; R288-Q445 PolarHBondContact NH2-O 3.49Å; F441-Q445 HydrophobicContact CD2-CB 4.01Å; F441-Q445 HydrophobicContact CE2-CB 3.39Å; F441-Q445 HydrophobicContact CE2-CG 4.31Å; F441-Q445 HydrophobicContact CZ-CB 3.76Å; T442-Q445 PolarHBondContact O-N 3.36Å; T442-Q445 VanDerWaalsContact O-N 3.15Å; T443-Q445 PolarHBondContact O-N 3.48Å; T443-Q445 VanDerWaalsContact O-N 3.15Å
446	L	95.1	Very high	86.5	Confident	6 Å²	6	52.2 Å²	52.2	3%	0.031	28%	0.281	C	S	.	.	S	Bend	trans	-73.9	148.1	173.1	-64.7	174.3	0	0	0	111.4	F441 T443 D444 R504 N508 L558	F441-L446 HydrophobicContact CE1-CD2 3.82Å; F441-L446 HydrophobicContact CE1-CG 4.48Å; F441-L446 HydrophobicContact CZ-CD2 4.13Å; T443-L446 WeakPolarHBondContact O-CB 3.13Å; T443-L446 PolarHBondContact O-N 2.8Å; T443-L446 VanDerWaalsContact O-N 3.07Å; D444-L446 VanDerWaalsContact C-N 3.31Å; L446-R504 HydrophobicContact CB-CB 4.39Å; L446-R504 HydrophobicContact CB-CG 4.26Å; L446-R504 PolarHBondContact O-NE 3.03Å; L446-N508 HydrophobicContact CD1-CB 3.94Å; L446-L558 HydrophobicContact CD1-CD1 3.75Å; L446-L558 HydrophobicContact CD1-CD2 3.83Å; L446-L558 HydrophobicContact CD1-CG 4.08Å
447	V	92.4	Very high	88.9	Confident	71 Å²	71	48.2 Å²	48.2	43%	0.43	26%	0.258	S	S	.	.			trans	-70.2	133.3	179.7	-178	0	0	0	0	109.3
448	E	93	Very high	91	Very high	31 Å²	31	41.8 Å²	41.8	15%	0.145	22%	0.223	C	C	.	.			trans	-105.7	-8.8	-175.2	60.3	69.7	-128.8	0	0	113.3	F450 R503 R504	E448-F450 VanDerWaalsContact C-N 3.3Å; E448-F450 PolarHBondContact O-N 3.03Å; E448-F450 WeakPolarHBondContact OE1-CB 3.41Å; E448-F450 PolarHBondContact OE1-N 3.39Å; E448-F450 WeakPolarHBondContact OE2-CA 3.43Å; E448-F450 WeakPolarHBondContact OE2-CB 3.28Å; E448-F450 PolarHBondContact OE2-N 3.49Å; E448-R503 HydrophobicContact CB-CB 4.46Å; E448-R503 WeakPolarHBondContact O-CB 3.4Å; E448-R503 PolarHBondContact O-NE 3Å; E448-R503 IonicContact OE2-CZ 4Å; E448-R503 IonicContact OE2-NE 3.13Å; E448-R503 PolarHBondContact OE2-NE 3.15Å; E448-R503 IonicContact OE2-NH2 3.81Å; E448-R503 PolarHBondContact OE2-NH2 3.38Å; E448-R504 HydrophobicContact CB-CG 3.79Å
449	H	94.3	Very high	92.8	Very high	44 Å²	44	40 Å²	40	20%	0.204	21%	0.214	C	C	.	.			trans	56.2	29.8	171.2	-69.3	-73.7	0	0	0	116.4	T451 N452 F453 F622	H449-T451 PolarHBondContact O-N 3.48Å; H449-T451 VanDerWaalsContact O-N 3.1Å; H449-N452 HydrophobicContact CB-CB 4.22Å; H449-N452 PolarHBondContact ND1-OD1 2.74Å; H449-N452 PolarHBondContact O-N 3.21Å; H449-F453 HydrophobicContact CB-CD2 4Å; H449-F453 HydrophobicContact CB-CE2 3.85Å; H449-F453 VanDerWaalsContact O-CD2 3.29Å; H449-F453 WeakPolarHBondContact O-CD2 3.45Å; H449-F453 PolarHBondContact O-N 2.67Å; H449-F453 VanDerWaalsContact O-N 3.15Å; H449-F622 HydrophobicContact CB-CD2 3.81Å; H449-F622 HydrophobicContact CB-CE2 3.68Å; H449-F622 AromaticContact CG-CD2 3.72Å; H449-F622 AromaticContact ND1-CD2 3.82Å
450	F	97	Very high	94.3	Very high	2 Å²	2	39.4 Å²	39.4	1%	0.009	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	-43.8	-179.7	-176.6	-90	0	0	0	112.7	K46 L66 F70 E448 N452 L458 F499	K46-F450 HydrophobicContact CB-CE1 4.06Å; K46-F450 HydrophobicContact CD-CE1 4.04Å; K46-F450 HydrophobicContact CG-CE1 3.76Å; K46-F450 HydrophobicContact CG-CZ 4.27Å; K46-F450 PolarHBondContact NZ-O 2.94Å; L66-F450 HydrophobicContact CD1-CE1 3.89Å; L66-F450 HydrophobicContact CD2-CD1 3.54Å; L66-F450 HydrophobicContact CD2-CE1 3.66Å; L66-F450 HydrophobicContact CG-CD1 3.69Å; L66-F450 HydrophobicContact CG-CE1 3.42Å; L66-F450 VanDerWaalsContact CG-CE1 3.42Å; L66-F450 HydrophobicContact CG-CZ 4.19Å; F70-F450 HydrophobicContact CB-CE2 3.75Å; F70-F450 HydrophobicContact CB-CZ 3.57Å; F70-F450 HydrophobicContact CD1-CE2 4.36Å; F70-F450 HydrophobicContact CD2-CE2 4.45Å; F70-F450 AromaticContact CD2-CZ 3.93Å; F70-F450 HydrophobicContact CD2-CZ 3.93Å; F70-F450 AromaticContact CG-CE2 3.94Å; F70-F450 HydrophobicContact CG-CE2 3.94Å; F70-F450 AromaticContact CG-CZ 3.8Å; F70-F450 HydrophobicContact CG-CZ 3.8Å; E448-F450 VanDerWaalsContact C-N 3.3Å; E448-F450 PolarHBondContact O-N 3.03Å; E448-F450 WeakPolarHBondContact OE1-CB 3.41Å; E448-F450 PolarHBondContact OE1-N 3.39Å; E448-F450 WeakPolarHBondContact OE2-CA 3.43Å; E448-F450 WeakPolarHBondContact OE2-CB 3.28Å; E448-F450 PolarHBondContact OE2-N 3.49Å; F450-N452 VanDerWaalsContact C-N 3.27Å; F450-N452 PolarHBondContact O-N 3.07Å; F450-L458 HydrophobicContact CD2-CD1 4.16Å; F450-L458 HydrophobicContact CD2-CD2 3.87Å; F450-L458 HydrophobicContact CE1-CD1 4.11Å; F450-L458 HydrophobicContact CE2-CD1 3.73Å; F450-L458 HydrophobicContact CE2-CD2 4.03Å; F450-L458 HydrophobicContact CE2-CG 4.44Å; F450-L458 HydrophobicContact CZ-CD1 3.7Å; F450-F499 HydrophobicContact CD2-CE1 4.27Å; F450-F499 HydrophobicContact CD2-CZ 4.24Å; F450-F499 AromaticContact CE2-CE1 3.99Å; F450-F499 HydrophobicContact CE2-CE1 3.99Å; F450-F499 AromaticContact CE2-CZ 3.91Å; F450-F499 HydrophobicContact CE2-CZ 3.91Å
451	T	95.6	Very high	95	Very high	93 Å²	93	39.8 Å²	39.8	57%	0.571	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-25.3	-177	51.6	0	0	0	0	112.4	K46 L66 H449	K46-T451 PolarHBondContact NZ-O 3.13Å; L66-T451 HydrophobicContact CD2-CG2 4.13Å; H449-T451 PolarHBondContact O-N 3.48Å; H449-T451 VanDerWaalsContact O-N 3.1Å
452	N	95.5	Very high	95.5	Very high	78 Å²	78	39.4 Å²	39.4	42%	0.417	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-41.3	-179	-56	102.3	0	0	0	113.2	H449 F450 F622	H449-N452 HydrophobicContact CB-CB 4.22Å; H449-N452 PolarHBondContact ND1-OD1 2.74Å; H449-N452 PolarHBondContact O-N 3.21Å; F450-N452 VanDerWaalsContact C-N 3.27Å; F450-N452 PolarHBondContact O-N 3.07Å; N452-F622 HydrophobicContact CB-CB 3.92Å; N452-F622 HydrophobicContact CB-CD1 3.65Å; N452-F622 HydrophobicContact CB-CD2 3.61Å; N452-F622 HydrophobicContact CB-CE1 4.02Å; N452-F622 HydrophobicContact CB-CE2 3.99Å; N452-F622 HydrophobicContact CB-CG 3.42Å; N452-F622 VanDerWaalsContact CB-CG 3.42Å; N452-F622 HydrophobicContact CB-CZ 4.18Å
453	F	96.9	Very high	95.9	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.009	20%	0.196	C	C	.	.	S	Bend	trans	-58.7	142.9	-179.4	-81.9	-76.7	0	0	0	112.8	K46 H449 E457 L458 Y461 R503 Q506 F622	K46-F453 WeakPolarHBondContact CE-O 3.32Å; K46-F453 PolarHBondContact NZ-O 3.35Å; H449-F453 HydrophobicContact CB-CD2 4Å; H449-F453 HydrophobicContact CB-CE2 3.85Å; H449-F453 VanDerWaalsContact O-CD2 3.29Å; H449-F453 WeakPolarHBondContact O-CD2 3.45Å; H449-F453 PolarHBondContact O-N 2.67Å; H449-F453 VanDerWaalsContact O-N 3.15Å; F453-E457 HydrophobicContact CD1-CB 4.19Å; F453-L458 HydrophobicContact CB-CD2 3.73Å; F453-L458 HydrophobicContact CB-CG 4.03Å; F453-Y461 AromaticContact CD1-CE2 3.85Å; F453-Y461 HydrophobicContact CD1-CE2 3.85Å; F453-Y461 AromaticContact CE1-CE2 3.72Å; F453-Y461 HydrophobicContact CE1-CE2 3.72Å; F453-Y461 HydrophobicContact CG-CE2 4.45Å; F453-Y461 HydrophobicContact CZ-CE2 4.23Å; F453-R503 HydrophobicContact CD2-CB 4.19Å; F453-R503 HydrophobicContact CD2-CG 4.01Å; F453-R503 HydrophobicContact CE2-CB 3.69Å; F453-R503 HydrophobicContact CE2-CG 3.91Å; F453-R503 HydrophobicContact CZ-CB 4.35Å; F453-R503 HydrophobicContact CZ-CG 4.49Å; F453-Q506 HydrophobicContact CE1-CG 4.06Å; F453-Q506 HydrophobicContact CZ-CB 3.98Å; F453-Q506 HydrophobicContact CZ-CG 3.8Å; F453-F622 HydrophobicContact CD1-CE2 4.43Å; F453-F622 AromaticContact CD1-CZ 3.63Å; F453-F622 HydrophobicContact CD1-CZ 3.63Å; F453-F622 AromaticContact CD2-CE2 3.96Å; F453-F622 HydrophobicContact CD2-CE2 3.96Å; F453-F622 AromaticContact CD2-CZ 3.88Å; F453-F622 HydrophobicContact CD2-CZ 3.88Å; F453-F622 HydrophobicContact CE1-CE2 4.13Å; F453-F622 AromaticContact CE1-CZ 3.56Å; F453-F622 HydrophobicContact CE1-CZ 3.56Å; F453-F622 AromaticContact CE2-CE2 3.61Å; F453-F622 HydrophobicContact CE2-CE2 3.61Å; F453-F622 AromaticContact CE2-CZ 3.8Å; F453-F622 HydrophobicContact CE2-CZ 3.8Å; F453-F622 HydrophobicContact CG-CE2 4.34Å; F453-F622 AromaticContact CG-CZ 3.79Å; F453-F622 HydrophobicContact CG-CZ 3.79Å; F453-F622 AromaticContact CZ-CE2 3.7Å; F453-F622 HydrophobicContact CZ-CE2 3.7Å; F453-F622 AromaticContact CZ-CZ 3.63Å; F453-F622 HydrophobicContact CZ-CZ 3.63Å
454	H	96.7	Very high	96.3	Very high	106 Å²	106	37.8 Å²	37.8	49%	0.491	19%	0.193	S	C	.	.			trans	-66.8	150.4	174.8	-171.8	-99	0	0	0	110.7	D456 E457 L458	H454-D456 IonicContact CE1-OD1 2.67Å; H454-D456 IonicContact CE1-OD2 3.99Å; H454-D456 WeakPolarHBondContact ND1-CB 3.48Å; H454-D456 PolarHBondContact ND1-N 3Å; H454-D456 IonicContact ND1-OD1 2.73Å; H454-D456 IonicContact ND1-OD2 3.4Å; H454-D456 PolarHBondContact O-N 3.16Å; H454-E457 HydrophobicContact CB-CG 4.34Å; H454-E457 VanDerWaalsContact CB-OE2 3.3Å; H454-E457 WeakPolarHBondContact CB-OE2 3.48Å; H454-E457 PolarHBondContact N-OE2 2.96Å; H454-E457 PolarHBondContact O-N 3.39Å; H454-E457 VanDerWaalsContact O-N 3.1Å; H454-L458 WeakPolarHBondContact O-CG 3.45Å; H454-L458 PolarHBondContact O-N 2.92Å
455	V	97.9	Very high	96.7	Very high	27 Å²	27	36.6 Å²	36.6	16%	0.164	19%	0.187	C	C	.	.	H	α-helix	trans	-61.5	-29	-176.9	-69.8	0	0	0	0	113.2	L44 K46 L458 F459	L44-V455 HydrophobicContact CB-CB 4.1Å; L44-V455 HydrophobicContact CB-CG2 3.93Å; K46-V455 HydrophobicContact CG-CG1 4.16Å; V455-L458 PolarHBondContact O-N 3.31Å; V455-F459 PolarHBondContact O-N 3.26Å
456	D	97.9	Very high	96.9	Very high	35 Å²	35	32.5 Å²	32.5	19%	0.187	17%	0.167	C	C	.	.	H	α-helix	trans	-65.9	-49.5	174	-68.9	12.3	0	0	0	110.4	L30 H34 H454 L458 F459 E460	L30-D456 HydrophobicContact CD1-CB 4.28Å; L30-D456 HydrophobicContact CD2-CB 3.83Å; H34-D456 IonicContact CD2-OD2 3.73Å; H34-D456 IonicContact CE1-OD1 3.65Å; H34-D456 PolarHBondContact CE1-OD1 3.13Å; H34-D456 VanDerWaalsContact CE1-OD1 3.3Å; H34-D456 IonicContact CE1-OD2 3.61Å; H34-D456 VanDerWaalsContact NE2-CG 3.28Å; H34-D456 IonicContact NE2-OD1 2.88Å; H34-D456 PolarHBondContact NE2-OD1 3.3Å; H34-D456 VanDerWaalsContact NE2-OD1 3.13Å; H34-D456 IonicContact NE2-OD2 3.82Å; H34-D456 PolarHBondContact NE2-OD2 3.03Å; H454-D456 IonicContact CE1-OD1 2.67Å; H454-D456 IonicContact CE1-OD2 3.99Å; H454-D456 WeakPolarHBondContact ND1-CB 3.48Å; H454-D456 PolarHBondContact ND1-N 3Å; H454-D456 IonicContact ND1-OD1 2.73Å; H454-D456 IonicContact ND1-OD2 3.4Å; H454-D456 PolarHBondContact O-N 3.16Å; D456-L458 VanDerWaalsContact C-N 3.3Å; D456-L458 PolarHBondContact O-N 2.94Å; D456-F459 WeakPolarHBondContact O-CA 3.45Å; D456-F459 VanDerWaalsContact O-CB 3.25Å; D456-F459 WeakPolarHBondContact O-CB 3.47Å; D456-F459 PolarHBondContact O-N 3.1Å; D456-E460 VanDerWaalsContact O-CG 3.32Å; D456-E460 WeakPolarHBondContact O-CG 3.2Å; D456-E460 PolarHBondContact O-N 2.7Å
457	E	97.4	Very high	97	Very high	64 Å²	64	32.2 Å²	32.2	30%	0.299	17%	0.166	S	C	.	.	H	α-helix	trans	-60.7	-40.1	176.1	-60.9	173.1	98.8	0	0	111.5	F453 H454 F459 E460 Y461	F453-E457 HydrophobicContact CD1-CB 4.19Å; H454-E457 HydrophobicContact CB-CG 4.34Å; H454-E457 VanDerWaalsContact CB-OE2 3.3Å; H454-E457 WeakPolarHBondContact CB-OE2 3.48Å; H454-E457 PolarHBondContact N-OE2 2.96Å; H454-E457 PolarHBondContact O-N 3.39Å; H454-E457 VanDerWaalsContact O-N 3.1Å; E457-F459 VanDerWaalsContact C-N 3.27Å; E457-F459 PolarHBondContact O-N 2.85Å; E457-E460 PolarHBondContact O-N 3Å; E457-Y461 HydrophobicContact CB-CD2 4.47Å; E457-Y461 HydrophobicContact CB-CE2 4.2Å; E457-Y461 WeakPolarHBondContact O-CD2 3.27Å; E457-Y461 PolarHBondContact O-N 3.19Å
458	L	98.4	Very high	97.3	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.9	-39.1	173.2	-66.7	-179.7	0	0	0	111.7	K46 F70 F450 F453 H454 V455 D456 A462 F499	K46-L458 HydrophobicContact CD-CD1 4.46Å; K46-L458 VanDerWaalsContact CE-CD1 3.49Å; K46-L458 HydrophobicContact CG-CD1 4.35Å; F70-L458 HydrophobicContact CD1-CB 4.34Å; F70-L458 HydrophobicContact CE1-CB 3.63Å; F70-L458 HydrophobicContact CE2-CB 4.22Å; F70-L458 HydrophobicContact CE2-CD1 4.34Å; F70-L458 HydrophobicContact CZ-CB 3.55Å; F70-L458 HydrophobicContact CZ-CD1 4.48Å; F450-L458 HydrophobicContact CD2-CD1 4.16Å; F450-L458 HydrophobicContact CD2-CD2 3.87Å; F450-L458 HydrophobicContact CE1-CD1 4.11Å; F450-L458 HydrophobicContact CE2-CD1 3.73Å; F450-L458 HydrophobicContact CE2-CD2 4.03Å; F450-L458 HydrophobicContact CE2-CG 4.44Å; F450-L458 HydrophobicContact CZ-CD1 3.7Å; F453-L458 HydrophobicContact CB-CD2 3.73Å; F453-L458 HydrophobicContact CB-CG 4.03Å; H454-L458 WeakPolarHBondContact O-CG 3.45Å; H454-L458 PolarHBondContact O-N 2.92Å; V455-L458 PolarHBondContact O-N 3.31Å; D456-L458 VanDerWaalsContact C-N 3.3Å; D456-L458 PolarHBondContact O-N 2.94Å; L458-A462 VanDerWaalsContact O-CB 3.23Å; L458-A462 WeakPolarHBondContact O-CB 3.18Å; L458-A462 PolarHBondContact O-N 3.25Å; L458-F499 HydrophobicContact CB-CZ 4.4Å; L458-F499 HydrophobicContact CD2-CE2 4.38Å; L458-F499 HydrophobicContact CD2-CZ 4.12Å; L458-F499 WeakPolarHBondContact O-CE2 3.34Å
459	F	98.5	Very high	97.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.7	-45	174.4	-178.6	-93.7	0	0	0	111.4	E29 L30 V33 L43 L44 I74 Y77 V455 D456 E457 Y461 A462 L463	E29-F459 HydrophobicContact CB-CE1 4.38Å; E29-F459 HydrophobicContact CG-CE1 4.18Å; E29-F459 HydrophobicContact CG-CZ 3.97Å; L30-F459 HydrophobicContact CB-CD1 4.15Å; L30-F459 HydrophobicContact CB-CE1 4.13Å; L30-F459 HydrophobicContact CD1-CB 4.4Å; L30-F459 HydrophobicContact CD1-CD1 3.78Å; L30-F459 HydrophobicContact CD1-CE1 4.32Å; L30-F459 HydrophobicContact CD1-CG 4.2Å; V33-F459 HydrophobicContact CG2-CE2 4.07Å; V33-F459 HydrophobicContact CG2-CZ 3.81Å; L43-F459 HydrophobicContact CD1-CE2 4.45Å; L44-F459 HydrophobicContact CD2-CB 3.78Å; L44-F459 HydrophobicContact CD2-CD2 3.85Å; L44-F459 HydrophobicContact CD2-CG 4.01Å; I74-F459 HydrophobicContact CD1-CD2 3.62Å; I74-F459 HydrophobicContact CD1-CE2 4.03Å; I74-F459 HydrophobicContact CG1-CD2 4.31Å; I74-F459 HydrophobicContact CG2-CD2 4.4Å; I74-F459 HydrophobicContact CG2-CE2 4.32Å; Y77-F459 HydrophobicContact CD1-CE2 4.17Å; Y77-F459 HydrophobicContact CD1-CZ 4.43Å; Y77-F459 HydrophobicContact CE1-CE2 4.13Å; Y77-F459 AromaticContact CE1-CZ 3.96Å; Y77-F459 HydrophobicContact CE1-CZ 3.96Å; V455-F459 PolarHBondContact O-N 3.26Å; D456-F459 WeakPolarHBondContact O-CA 3.45Å; D456-F459 VanDerWaalsContact O-CB 3.25Å; D456-F459 WeakPolarHBondContact O-CB 3.47Å; D456-F459 PolarHBondContact O-N 3.1Å; E457-F459 VanDerWaalsContact C-N 3.27Å; E457-F459 PolarHBondContact O-N 2.85Å; F459-Y461 PolarHBondContact O-N 2.98Å; F459-A462 PolarHBondContact O-N 2.84Å; F459-L463 HydrophobicContact CD1-CD1 4.01Å; F459-L463 HydrophobicContact CD1-CG 4.26Å; F459-L463 HydrophobicContact CE1-CD1 3.4Å; F459-L463 HydrophobicContact CE1-CG 3.93Å; F459-L463 HydrophobicContact CZ-CD1 3.86Å; F459-L463 HydrophobicContact CZ-CD2 4.25Å; F459-L463 HydrophobicContact CZ-CG 4.14Å; F459-L463 WeakPolarHBondContact O-CG 3.38Å; F459-L463 PolarHBondContact O-N 3.4Å
460	E	98.1	Very high	97.5	Very high	69 Å²	69	27.5 Å²	27.5	32%	0.322	14%	0.139	S	C	.	.	H	α-helix	trans	-60.9	-45.7	177.2	-52.4	-165	173.4	0	0	112.3	I26 D456 E457 A462 L463 T464	I26-E460 HydrophobicContact CD1-CB 4.49Å; I26-E460 HydrophobicContact CG2-CB 3.79Å; I26-E460 HydrophobicContact CG2-CG 3.45Å; I26-E460 VanDerWaalsContact CG2-CG 3.45Å; D456-E460 VanDerWaalsContact O-CG 3.32Å; D456-E460 WeakPolarHBondContact O-CG 3.2Å; D456-E460 PolarHBondContact O-N 2.7Å; E457-E460 PolarHBondContact O-N 3Å; E460-A462 VanDerWaalsContact C-N 3.35Å; E460-L463 PolarHBondContact O-N 3.47Å; E460-T464 WeakPolarHBondContact O-CB 3.45Å; E460-T464 PolarHBondContact O-N 3.33Å; E460-T464 PolarHBondContact O-OG1 2.98Å
461	Y	98.5	Very high	97.4	Very high	35 Å²	35	27.4 Å²	27.4	14%	0.137	14%	0.138	C	C	.	.	H	α-helix	trans	-66.5	-36.4	176.9	-67.4	-47.6	0	0	0	111.9	F453 E457 F459 T464 G465 F499 L502 R503	F453-Y461 AromaticContact CD1-CE2 3.85Å; F453-Y461 HydrophobicContact CD1-CE2 3.85Å; F453-Y461 AromaticContact CE1-CE2 3.72Å; F453-Y461 HydrophobicContact CE1-CE2 3.72Å; F453-Y461 HydrophobicContact CG-CE2 4.45Å; F453-Y461 HydrophobicContact CZ-CE2 4.23Å; E457-Y461 HydrophobicContact CB-CD2 4.47Å; E457-Y461 HydrophobicContact CB-CE2 4.2Å; E457-Y461 WeakPolarHBondContact O-CD2 3.27Å; E457-Y461 PolarHBondContact O-N 3.19Å; F459-Y461 PolarHBondContact O-N 2.98Å; Y461-T464 PolarHBondContact O-N 2.71Å; Y461-G465 PolarHBondContact O-N 2.94Å; Y461-F499 VanDerWaalsContact C-CD2 3.45Å; Y461-L502 HydrophobicContact CD1-CB 3.78Å; Y461-L502 HydrophobicContact CD1-CD1 4.23Å; Y461-L502 HydrophobicContact CD1-CG 4.42Å; Y461-L502 HydrophobicContact CE1-CB 4.34Å; Y461-L502 HydrophobicContact CG-CB 4.28Å; Y461-L502 WeakPolarHBondContact O-CD1 3.45Å; Y461-R503 HydrophobicContact CD2-CG 3.64Å; Y461-R503 HydrophobicContact CE2-CG 3.97Å; Y461-R503 HydrophobicContact CG-CG 4.21Å
462	A	98.7	Very high	97.3	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-67.3	-43.7	177.3	0	0	0	0	0	111.3	F70 Y71 I74 L458 F459 E460 T464 G465 W466 F499	F70-A462 HydrophobicContact CD1-CB 4.5Å; F70-A462 HydrophobicContact CE1-CB 4.23Å; Y71-A462 HydrophobicContact CD2-CB 3.95Å; Y71-A462 HydrophobicContact CE2-CB 4.42Å; Y71-A462 WeakPolarHBondContact CE2-O 3.42Å; I74-A462 HydrophobicContact CB-CB 3.96Å; I74-A462 HydrophobicContact CG1-CB 3.86Å; I74-A462 HydrophobicContact CG2-CB 3.84Å; L458-A462 VanDerWaalsContact O-CB 3.23Å; L458-A462 WeakPolarHBondContact O-CB 3.18Å; L458-A462 PolarHBondContact O-N 3.25Å; F459-A462 PolarHBondContact O-N 2.84Å; E460-A462 VanDerWaalsContact C-N 3.35Å; A462-T464 VanDerWaalsContact C-N 3.3Å; A462-T464 PolarHBondContact O-N 3.02Å; A462-G465 PolarHBondContact O-N 3.18Å; A462-W466 WeakPolarHBondContact O-CB 3.35Å; A462-W466 PolarHBondContact O-N 3.17Å; A462-F499 VanDerWaalsContact CA-CD2 3.49Å; A462-F499 HydrophobicContact CB-CD2 3.92Å; A462-F499 HydrophobicContact CB-CE2 3.84Å; A462-F499 HydrophobicContact CB-CZ 4.35Å; A462-F499 VanDerWaalsContact N-CD2 3.31Å
463	L	98.4	Very high	97	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.4	-43.6	172	-70.1	-170.4	0	0	0	111.2	W22 I26 E29 I74 I78 L86 F459 E460 W466 L467	W22-L463 HydrophobicContact CH2-CB 4.37Å; W22-L463 HydrophobicContact CZ2-CB 4.03Å; W22-L463 WeakPolarHBondContact CZ2-O 3.35Å; I26-L463 HydrophobicContact CG1-CB 4.39Å; I26-L463 HydrophobicContact CG1-CD1 4.1Å; I26-L463 HydrophobicContact CG2-CD1 4.48Å; E29-L463 HydrophobicContact CB-CD1 4.23Å; E29-L463 HydrophobicContact CG-CD1 4.22Å; I74-L463 HydrophobicContact CG2-CD2 3.93Å; I78-L463 HydrophobicContact CD1-CD2 3.51Å; I78-L463 HydrophobicContact CG1-CD2 3.77Å; L86-L463 HydrophobicContact CD2-CD1 4.38Å; L86-L463 HydrophobicContact CD2-CD2 3.92Å; F459-L463 HydrophobicContact CD1-CD1 4.01Å; F459-L463 HydrophobicContact CD1-CG 4.26Å; F459-L463 HydrophobicContact CE1-CD1 3.4Å; F459-L463 HydrophobicContact CE1-CG 3.93Å; F459-L463 HydrophobicContact CZ-CD1 3.86Å; F459-L463 HydrophobicContact CZ-CD2 4.25Å; F459-L463 HydrophobicContact CZ-CG 4.14Å; F459-L463 WeakPolarHBondContact O-CG 3.38Å; F459-L463 PolarHBondContact O-N 3.4Å; E460-L463 PolarHBondContact O-N 3.47Å; L463-W466 PolarHBondContact O-N 3.39Å; L463-L467 PolarHBondContact O-N 2.7Å
464	T	98.6	Very high	96.5	Very high	10 Å²	10	21.3 Å²	21.3	6%	0.061	10%	0.104	C	C	.	.	H	α-helix	trans	-65.9	-43.5	-179.6	-58.2	0	0	0	0	111.4	W22 M410 E460 Y461 A462 W466 L467 I468 L502	W22-T464 PolarHBondContact NE1-OG1 3.36Å; M410-T464 HydrophobicContact CB-CG2 4.47Å; M410-T464 HydrophobicContact CE-CG2 3.66Å; E460-T464 WeakPolarHBondContact O-CB 3.45Å; E460-T464 PolarHBondContact O-N 3.33Å; E460-T464 PolarHBondContact O-OG1 2.98Å; Y461-T464 PolarHBondContact O-N 2.71Å; A462-T464 VanDerWaalsContact C-N 3.3Å; A462-T464 PolarHBondContact O-N 3.02Å; T464-W466 PolarHBondContact O-N 3.35Å; T464-L467 PolarHBondContact O-N 2.8Å; T464-I468 HydrophobicContact CG2-CD1 4.01Å; T464-I468 WeakPolarHBondContact O-CB 3.45Å; T464-I468 VanDerWaalsContact O-CG1 3.26Å; T464-I468 WeakPolarHBondContact O-CG1 3.13Å; T464-I468 PolarHBondContact O-N 2.82Å; T464-L502 HydrophobicContact CG2-CD1 3.7Å; T464-L502 HydrophobicContact CG2-CD2 4.12Å
465	G	98.5	Very high	95.3	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.088	C	C	.	.	H	α-helix	trans	-62.4	-39.8	174.9	0	0	0	0	0	112.7	Y461 A462 S469 G495	Y461-G465 PolarHBondContact O-N 2.94Å; A462-G465 PolarHBondContact O-N 3.18Å; G465-S469 PolarHBondContact O-N 3.16Å; G465-S469 VanDerWaalsContact O-N 3.07Å; G465-G495 WeakPolarHBondContact O-CA 3.48Å
466	W	98.1	Very high	94	Very high	9 Å²	9	17.4 Å²	17.4	3%	0.034	9%	0.089	C	C	.	.	H	α-helix	trans	-62.2	-46.6	170.8	167.2	85.1	0	0	0	112.6	W22 Y71 I78 L86 I89 I90 A462 L463 T464 I468 S469 K470	W22-W466 HydrophobicContact CH2-CE3 4.47Å; W22-W466 HydrophobicContact CH2-CZ3 4.32Å; Y71-W466 VanDerWaalsContact OH-CA 3.24Å; Y71-W466 WeakPolarHBondContact OH-CA 3.44Å; Y71-W466 PolarHBondContact OH-N 2.77Å; I78-W466 HydrophobicContact CD1-CB 4Å; I78-W466 HydrophobicContact CD1-CD2 3.56Å; I78-W466 HydrophobicContact CD1-CE3 3.95Å; I78-W466 HydrophobicContact CD1-CG 3.55Å; I78-W466 HydrophobicContact CG2-CD2 4.31Å; I78-W466 HydrophobicContact CG2-CH2 3.92Å; I78-W466 HydrophobicContact CG2-CZ2 3.49Å; I78-W466 VanDerWaalsContact CG2-CZ2 3.49Å; I78-W466 HydrophobicContact CG2-CZ3 4.48Å; L86-W466 HydrophobicContact CD1-CZ3 3.98Å; L86-W466 HydrophobicContact CG-CZ3 4.42Å; I89-W466 HydrophobicContact CG2-CH2 3.65Å; I89-W466 HydrophobicContact CG2-CZ3 3.86Å; I90-W466 HydrophobicContact CD1-CH2 3.84Å; I90-W466 HydrophobicContact CD1-CZ2 3.76Å; I90-W466 HydrophobicContact CG1-CH2 4.27Å; I90-W466 HydrophobicContact CG1-CZ2 4.26Å; A462-W466 WeakPolarHBondContact O-CB 3.35Å; A462-W466 PolarHBondContact O-N 3.17Å; L463-W466 PolarHBondContact O-N 3.39Å; T464-W466 PolarHBondContact O-N 3.35Å; W466-I468 VanDerWaalsContact C-N 3.33Å; W466-I468 PolarHBondContact O-N 3.26Å; W466-S469 PolarHBondContact O-N 3.37Å; W466-S469 PolarHBondContact O-OG 3.36Å; W466-K470 HydrophobicContact CZ2-CG 4.33Å; W466-K470 WeakPolarHBondContact O-CG 3.29Å; W466-K470 PolarHBondContact O-N 3.5Å; W466-K470 VanDerWaalsContact O-N 3.15Å
467	L	97.5	Very high	92	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-62.3	-43.8	178.8	176.9	61.8	0	0	0	111.2	W22 I89 I93 L406 M410 L463 T464 S469 K470 I471	W22-L467 HydrophobicContact CD2-CD2 3.43Å; W22-L467 VanDerWaalsContact CD2-CD2 3.43Å; W22-L467 HydrophobicContact CE3-CD2 3.33Å; W22-L467 HydrophobicContact CG-CD2 4.21Å; W22-L467 HydrophobicContact CH2-CB 3.67Å; W22-L467 HydrophobicContact CH2-CD2 3.64Å; W22-L467 HydrophobicContact CH2-CG 4.15Å; W22-L467 HydrophobicContact CZ2-CB 3.71Å; W22-L467 HydrophobicContact CZ2-CD2 3.72Å; W22-L467 HydrophobicContact CZ2-CG 4.32Å; W22-L467 HydrophobicContact CZ3-CB 4.29Å; W22-L467 HydrophobicContact CZ3-CD1 4.48Å; W22-L467 HydrophobicContact CZ3-CD2 3.43Å; W22-L467 VanDerWaalsContact CZ3-CD2 3.43Å; W22-L467 HydrophobicContact CZ3-CG 4.26Å; I89-L467 HydrophobicContact CG1-CD1 3.93Å; I89-L467 HydrophobicContact CG2-CD1 4.29Å; I93-L467 HydrophobicContact CD1-CD1 3.34Å; I93-L467 HydrophobicContact CG1-CD1 4.3Å; L406-L467 HydrophobicContact CD1-CD2 4.1Å; L406-L467 HydrophobicContact CD2-CD1 4.22Å; L406-L467 HydrophobicContact CD2-CD2 3.98Å; L406-L467 HydrophobicContact CD2-CG 4.5Å; L406-L467 HydrophobicContact CG-CD2 4.14Å; M410-L467 HydrophobicContact CE-CB 3.94Å; M410-L467 HydrophobicContact CE-CD2 3.34Å; M410-L467 HydrophobicContact CE-CG 3.72Å; M410-L467 HydrophobicContact SD-CD2 4.02Å; L463-L467 PolarHBondContact O-N 2.7Å; T464-L467 PolarHBondContact O-N 2.8Å; L467-S469 VanDerWaalsContact C-N 3.29Å; L467-S469 PolarHBondContact O-N 2.94Å; L467-K470 WeakPolarHBondContact O-CB 3.48Å; L467-K470 PolarHBondContact O-N 3.47Å; L467-K470 VanDerWaalsContact O-N 3.17Å; L467-I471 HydrophobicContact CD1-CD1 4.35Å; L467-I471 HydrophobicContact CD1-CG1 4.44Å; L467-I471 HydrophobicContact CG-CD1 4.08Å; L467-I471 WeakPolarHBondContact O-CG1 3.33Å; L467-I471 PolarHBondContact O-N 3.47Å
468	I	97.9	Very high	89.8	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.7	-43.2	176.6	-71.3	168.4	0	0	0	110.6	M410 G413 C416 F417 T464 W466 K470 I471 L472 C498	M410-I468 HydrophobicContact CE-CD1 4.36Å; M410-I468 HydrophobicContact CE-CG1 3.72Å; G413-I468 VanDerWaalsContact O-CD1 3.3Å; G413-I468 WeakPolarHBondContact O-CD1 3.42Å; C416-I468 HydrophobicContact CB-CD1 3.99Å; F417-I468 HydrophobicContact CB-CG1 4.45Å; F417-I468 HydrophobicContact CB-CG2 4.11Å; F417-I468 HydrophobicContact CD2-CG2 4.11Å; T464-I468 HydrophobicContact CG2-CD1 4.01Å; T464-I468 WeakPolarHBondContact O-CB 3.45Å; T464-I468 VanDerWaalsContact O-CG1 3.26Å; T464-I468 WeakPolarHBondContact O-CG1 3.13Å; T464-I468 PolarHBondContact O-N 2.82Å; W466-I468 VanDerWaalsContact C-N 3.33Å; W466-I468 PolarHBondContact O-N 3.26Å; I468-K470 VanDerWaalsContact C-N 3.31Å; I468-K470 PolarHBondContact O-N 3.28Å; I468-I471 PolarHBondContact O-N 3.02Å; I468-L472 HydrophobicContact CG2-CD1 3.73Å; I468-L472 HydrophobicContact CG2-CG 4.19Å; I468-L472 VanDerWaalsContact O-CG 3.32Å; I468-L472 WeakPolarHBondContact O-CG 3.43Å; I468-L472 PolarHBondContact O-N 3.39Å; I468-C498 HydrophobicContact CB-CB 4.43Å; I468-C498 HydrophobicContact CG2-CB 4.19Å; I468-C498 WeakPolarHBondContact CG2-SG 3.44Å
469	S	96.4	Very high	87.3	Confident	2 Å²	2	29.6 Å²	29.6	1%	0.014	16%	0.157	C	C	.	.	H	α-helix	trans	-65.5	-33.3	178.8	75.4	0	0	0	0	113.2	G465 W466 L467 N473 E491	G465-S469 PolarHBondContact O-N 3.16Å; G465-S469 VanDerWaalsContact O-N 3.07Å; W466-S469 PolarHBondContact O-N 3.37Å; W466-S469 PolarHBondContact O-OG 3.36Å; L467-S469 VanDerWaalsContact C-N 3.29Å; L467-S469 PolarHBondContact O-N 2.94Å; S469-N473 PolarHBondContact O-N 2.74Å; S469-N473 VanDerWaalsContact O-N 3.08Å; S469-E491 VanDerWaalsContact CB-O 3.26Å; S469-E491 WeakPolarHBondContact CB-O 3.45Å; S469-E491 PolarHBondContact OG-O 3.04Å
470	K	94.6	Very high	84.6	Confident	45 Å²	45	36.7 Å²	36.7	20%	0.196	20%	0.195	C	C	.	.	H	α-helix	trans	-64.1	-44.2	171.5	-62	-60.2	-177.7	-176.4	0	112.1	I90 I93 W466 L467 I468 N473 C474 E491	I90-K470 HydrophobicContact CD1-CB 4.2Å; I90-K470 HydrophobicContact CD1-CD 4.09Å; I90-K470 HydrophobicContact CD1-CG 3.75Å; I93-K470 HydrophobicContact CD1-CB 4.21Å; W466-K470 HydrophobicContact CZ2-CG 4.33Å; W466-K470 WeakPolarHBondContact O-CG 3.29Å; W466-K470 PolarHBondContact O-N 3.5Å; W466-K470 VanDerWaalsContact O-N 3.15Å; L467-K470 WeakPolarHBondContact O-CB 3.48Å; L467-K470 PolarHBondContact O-N 3.47Å; L467-K470 VanDerWaalsContact O-N 3.17Å; I468-K470 VanDerWaalsContact C-N 3.31Å; I468-K470 PolarHBondContact O-N 3.28Å; K470-N473 PolarHBondContact O-N 2.98Å; K470-C474 PolarHBondContact O-N 2.79Å; K470-C474 PolarHBondContact O-SG 3.19Å; K470-E491 IonicContact NZ-OE1 3.45Å; K470-E491 IonicContact NZ-OE2 2.65Å; K470-E491 PolarHBondContact NZ-OE2 3.03Å
471	I	95.1	Very high	82.2	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66.5	-42.4	178.2	-59.5	169.2	0	0	0	110.8	I93 F403 L406 L407 F417 L467 I468 N473 C474 S475	I93-I471 HydrophobicContact CD1-CG1 4.32Å; I93-I471 HydrophobicContact CG2-CG1 4.43Å; F403-I471 HydrophobicContact CB-CG2 3.97Å; F403-I471 HydrophobicContact CD1-CG2 3.97Å; F403-I471 HydrophobicContact CD2-CG2 3.45Å; F403-I471 VanDerWaalsContact CD2-CG2 3.45Å; F403-I471 HydrophobicContact CE1-CG2 4.33Å; F403-I471 HydrophobicContact CE2-CG2 3.85Å; F403-I471 HydrophobicContact CG-CG2 3.5Å; F403-I471 VanDerWaalsContact CG-CG2 3.5Å; F403-I471 HydrophobicContact CZ-CG2 4.27Å; L406-I471 HydrophobicContact CD2-CD1 3.92Å; L406-I471 HydrophobicContact CG-CD1 4.44Å; L407-I471 HydrophobicContact CD2-CD1 4.1Å; F417-I471 HydrophobicContact CD2-CB 4.33Å; F417-I471 HydrophobicContact CD2-CG2 4.07Å; F417-I471 HydrophobicContact CE2-CB 4.04Å; F417-I471 HydrophobicContact CE2-CG2 3.49Å; F417-I471 VanDerWaalsContact CE2-CG2 3.49Å; F417-I471 HydrophobicContact CZ-CG2 4.15Å; L467-I471 HydrophobicContact CD1-CD1 4.35Å; L467-I471 HydrophobicContact CD1-CG1 4.44Å; L467-I471 HydrophobicContact CG-CD1 4.08Å; L467-I471 WeakPolarHBondContact O-CG1 3.33Å; L467-I471 PolarHBondContact O-N 3.47Å; I468-I471 PolarHBondContact O-N 3.02Å; I471-N473 VanDerWaalsContact C-N 3.33Å; I471-N473 PolarHBondContact O-N 2.06Å; I471-C474 WeakPolarHBondContact O-CB 3.43Å; I471-C474 PolarHBondContact O-N 3.24Å; I471-S475 PolarHBondContact O-N 3.49Å
472	L	93	Very high	80	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-58.2	-45.2	176.7	-74.1	165.9	0	0	0	111.5	F417 A420 W421 I468 C474 S475 S476	F417-L472 HydrophobicContact CD2-CD2 3.87Å; F417-L472 HydrophobicContact CD2-CG 3.93Å; F417-L472 HydrophobicContact CE2-CD2 3.55Å; F417-L472 HydrophobicContact CE2-CG 3.79Å; F417-L472 HydrophobicContact CZ-CD2 4.11Å; A420-L472 HydrophobicContact CB-CD1 3.6Å; A420-L472 HydrophobicContact CB-CD2 4.23Å; W421-L472 HydrophobicContact CB-CD2 3.81Å; W421-L472 HydrophobicContact CG-CD2 4.46Å; I468-L472 HydrophobicContact CG2-CD1 3.73Å; I468-L472 HydrophobicContact CG2-CG 4.19Å; I468-L472 VanDerWaalsContact O-CG 3.32Å; I468-L472 WeakPolarHBondContact O-CG 3.43Å; I468-L472 PolarHBondContact O-N 3.39Å; L472-C474 VanDerWaalsContact C-N 3.33Å; L472-C474 PolarHBondContact O-N 3.35Å; L472-S475 PolarHBondContact O-N 2.94Å; L472-S475 VanDerWaalsContact O-N 3.09Å; L472-S476 PolarHBondContact O-N 3.31Å; L472-S476 PolarHBondContact O-OG 3.19Å
473	N	90	Very high	77.9	Confident	23 Å²	23	48.8 Å²	48.8	12%	0.123	26%	0.261	C	S	.	.	H	α-helix	trans	-62.8	-38.5	178.3	-167.7	39.9	0	0	0	112.1	S469 K470 I471 S475 S476 N477 E491	S469-N473 PolarHBondContact O-N 2.74Å; S469-N473 VanDerWaalsContact O-N 3.08Å; K470-N473 PolarHBondContact O-N 2.98Å; I471-N473 VanDerWaalsContact C-N 3.33Å; I471-N473 PolarHBondContact O-N 2.06Å; N473-S475 VanDerWaalsContact C-N 3.34Å; N473-S476 PolarHBondContact O-N 3.47Å; N473-N477 WeakPolarHBondContact O-CB 3.49Å; N473-N477 PolarHBondContact O-N 3.48Å; N473-N477 PolarHBondContact O-ND2 2.7Å; N473-N477 VanDerWaalsContact O-ND2 3.11Å; N473-E491 HydrophobicContact CB-CG 4.13Å; N473-E491 PolarHBondContact ND2-OE1 3.26Å
474	C	86.3	Confident	76	Confident	22 Å²	22	55.4 Å²	55.4	15%	0.149	30%	0.297	C	S	.	.	H	α-helix	trans	-63.1	-40.1	171.9	-66.9	0	0	0	0	112.3	F403 K470 I471 L472	F403-C474 HydrophobicContact CZ-CB 3.9Å; K470-C474 PolarHBondContact O-N 2.79Å; K470-C474 PolarHBondContact O-SG 3.19Å; I471-C474 WeakPolarHBondContact O-CB 3.43Å; I471-C474 PolarHBondContact O-N 3.24Å; L472-C474 VanDerWaalsContact C-N 3.33Å; L472-C474 PolarHBondContact O-N 3.35Å
475	S	72.7	Confident	73.9	Confident	24 Å²	24	62.2 Å²	62.2	17%	0.168	33%	0.332	C	S	.	.	H	α-helix	trans	-71.8	-28	-179.6	-178.5	0	0	0	0	113.8	A399 I471 L472 N473	A399-S475 VanDerWaalsContact CA-OG 3.27Å; A399-S475 WeakPolarHBondContact CA-OG 3.31Å; A399-S475 WeakPolarHBondContact CB-OG 3.33Å; I471-S475 PolarHBondContact O-N 3.49Å; L472-S475 PolarHBondContact O-N 2.94Å; L472-S475 VanDerWaalsContact O-N 3.09Å; N473-S475 VanDerWaalsContact C-N 3.34Å
476	S	69.8	Low	72.3	Confident	27 Å²	27	67.7 Å²	67.7	19%	0.189	36%	0.357	C	S	.	.	H	α-helix	trans	-89.4	-20.2	-178.7	-62.6	0	0	0	0	114.1	Q424 L472 N473 N478 D479	Q424-S476 PolarHBondContact OE1-OG 2.99Å; L472-S476 PolarHBondContact O-N 3.31Å; L472-S476 PolarHBondContact O-OG 3.19Å; N473-S476 PolarHBondContact O-N 3.47Å; S476-N478 PolarHBondContact O-N 2.98Å; S476-D479 PolarHBondContact O-N 3.3Å
477	N	54.7	Low	71.1	Confident	75 Å²	75	68.1 Å²	68.1	40%	0.401	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	27.5	-173.3	-81.7	-19	0	0	0	115.7	N473	N473-N477 WeakPolarHBondContact O-CB 3.49Å; N473-N477 PolarHBondContact O-N 3.48Å; N473-N477 PolarHBondContact O-ND2 2.7Å; N473-N477 VanDerWaalsContact O-ND2 3.11Å
478	N	51.5	Low	70	Confident	148 Å²	148	72.2 Å²	72.2	79%	0.791	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-15.1	159.1	-76.7	-19	0	0	0	112.2	S476	S476-N478 PolarHBondContact O-N 2.98Å
479	D	46.1	Very low	69.3	Low	132 Å²	132	75.6 Å²	75.6	71%	0.706	41%	0.405	S	S	*	.	S	Bend	trans	-98.8	94.2	173.5	-71.5	-28.6	0	0	0	111.4	S476 N481	S476-D479 PolarHBondContact O-N 3.3Å; D479-N481 PolarHBondContact O-N 3.43Å
480	N	42.5	Very low	68.9	Low	149 Å²	149	77.6 Å²	77.6	80%	0.797	42%	0.416	S	S	*	.			trans	-64.5	17.3	-168.8	-81.1	-34.1	0	0	0	118.6
481	N	46.8	Very low	68.9	Low	156 Å²	156	76.6 Å²	76.6	83%	0.834	41%	0.411	S	S	*	.			trans	-119.2	19.1	-165.3	-80.8	-10.2	0	0	0	117.9	D479	D479-N481 PolarHBondContact O-N 3.43Å
482	K	51.9	Low	68.9	Low	125 Å²	125	77.6 Å²	77.6	54%	0.543	42%	0.417	S	S	.	.			trans	-95.9	138	177.2	-69.2	-178.5	-177.7	172.3	0	113.2
483	T	54.8	Low	69	Low	77 Å²	77	78.7 Å²	78.7	47%	0.472	42%	0.422	S	S	.	.			trans	-71.1	152.5	173.6	64.7	0	0	0	0	111.7	L485 E486 S487	T483-L485 PolarHBondContact O-N 3.02Å; T483-E486 PolarHBondContact N-OE2 2.76Å; T483-E486 PolarHBondContact O-N 2.95Å; T483-E486 WeakPolarHBondContact OG1-CB 3.37Å; T483-E486 WeakPolarHBondContact OG1-CG 3.44Å; T483-E486 PolarHBondContact OG1-OE2 3.39Å; T483-S487 PolarHBondContact O-N 3.39Å; T483-S487 PolarHBondContact O-OG 2.53Å
484	N	59.6	Low	69.3	Low	140 Å²	140	78.1 Å²	78.1	75%	0.749	42%	0.419	S	S	*	.	H	α-helix	trans	-57.5	-30.8	-179.9	-77.8	-13	0	0	0	114.2	S487 T488	N484-S487 WeakPolarHBondContact CA-OG 3.38Å; N484-S487 PolarHBondContact O-OG 2.84Å; N484-T488 PolarHBondContact O-N 3.26Å; N484-T488 PolarHBondContact O-OG1 2.99Å
485	L	53.7	Low	69.9	Low	152 Å²	152	77.1 Å²	77.1	80%	0.796	41%	0.412	S	S	*	.	H	α-helix	trans	-77.3	-41.2	-179.8	-132	93.7	0	0	0	111.4	T483 T488 N489	T483-L485 PolarHBondContact O-N 3.02Å; L485-T488 PolarHBondContact O-N 2.81Å; L485-N489 PolarHBondContact O-N 3.5Å
486	E	65.7	Low	71.1	Confident	115 Å²	115	76 Å²	76	54%	0.537	40%	0.404	S	S	.	.	H	α-helix	trans	-65.6	-39.9	176	-72.6	168	156.7	0	0	111.3	T483 N490	T483-E486 PolarHBondContact N-OE2 2.76Å; T483-E486 PolarHBondContact O-N 2.95Å; T483-E486 WeakPolarHBondContact OG1-CB 3.37Å; T483-E486 WeakPolarHBondContact OG1-CG 3.44Å; T483-E486 PolarHBondContact OG1-OE2 3.39Å; E486-N490 WeakPolarHBondContact O-CB 3.4Å; E486-N490 PolarHBondContact O-N 3.46Å
487	S	71.7	Confident	72.4	Confident	19 Å²	19	75 Å²	75	13%	0.133	40%	0.396	C	S	.	.	H	α-helix	trans	-62.9	-45.4	175.9	65	0	0	0	0	111.6	T483 N484 N490 E491	T483-S487 PolarHBondContact O-N 3.39Å; T483-S487 PolarHBondContact O-OG 2.53Å; N484-S487 WeakPolarHBondContact CA-OG 3.38Å; N484-S487 PolarHBondContact O-OG 2.84Å; S487-N490 PolarHBondContact O-N 2.96Å; S487-E491 WeakPolarHBondContact O-CG 3.43Å; S487-E491 PolarHBondContact O-N 2.91Å
488	T	76.2	Confident	74.5	Confident	86 Å²	86	71.4 Å²	71.4	53%	0.528	38%	0.377	S	S	.	.	H	α-helix	trans	-63.7	-44.2	179.3	-54.9	0	0	0	0	112.2	N484 L485 N490 E491 L492	N484-T488 PolarHBondContact O-N 3.26Å; N484-T488 PolarHBondContact O-OG1 2.99Å; L485-T488 PolarHBondContact O-N 2.81Å; T488-N490 VanDerWaalsContact C-N 3.33Å; T488-E491 PolarHBondContact O-N 2.76Å; T488-L492 PolarHBondContact O-N 3.44Å
489	N	82.9	Confident	76.7	Confident	71 Å²	71	64.4 Å²	64.4	38%	0.38	34%	0.339	S	S	.	.	H	α-helix	trans	-66	-38.6	177.7	-170.3	58.2	0	0	0	111.5	L485 L492 I493	L485-N489 PolarHBondContact O-N 3.5Å; N489-L492 PolarHBondContact O-N 2.85Å; N489-I493 WeakPolarHBondContact O-CG1 3.4Å; N489-I493 PolarHBondContact O-N 3.06Å; N489-I493 VanDerWaalsContact O-N 3.11Å
490	N	88.2	Confident	79.2	Confident	44 Å²	44	58.1 Å²	58.1	24%	0.235	31%	0.306	C	S	.	.	H	α-helix	trans	-64.1	-42.6	176.1	-178.1	51.5	0	0	0	112	E486 S487 T488 L492 I493 Q494	E486-N490 WeakPolarHBondContact O-CB 3.4Å; E486-N490 PolarHBondContact O-N 3.46Å; S487-N490 PolarHBondContact O-N 2.96Å; T488-N490 VanDerWaalsContact C-N 3.33Å; N490-L492 VanDerWaalsContact C-N 3.29Å; N490-L492 PolarHBondContact O-N 3.23Å; N490-I493 PolarHBondContact O-N 3.46Å; N490-Q494 PolarHBondContact ND2-NE2 3.44Å; N490-Q494 WeakPolarHBondContact O-CB 3.37Å; N490-Q494 VanDerWaalsContact O-CG 3.24Å; N490-Q494 WeakPolarHBondContact O-CG 3.32Å; N490-Q494 PolarHBondContact O-N 3.09Å; N490-Q494 PolarHBondContact OD1-NE2 3.11Å
491	E	93.1	Very high	81.9	Confident	23 Å²	23	51 Å²	51	11%	0.107	27%	0.268	C	S	.	.	H	α-helix	trans	-59.5	-38.4	174.8	-75.4	-179.3	171	0	0	112.6	S469 K470 N473 S487 T488 G495	S469-E491 VanDerWaalsContact CB-O 3.26Å; S469-E491 WeakPolarHBondContact CB-O 3.45Å; S469-E491 PolarHBondContact OG-O 3.04Å; K470-E491 IonicContact NZ-OE1 3.45Å; K470-E491 IonicContact NZ-OE2 2.65Å; K470-E491 PolarHBondContact NZ-OE2 3.03Å; N473-E491 HydrophobicContact CB-CG 4.13Å; N473-E491 PolarHBondContact ND2-OE1 3.26Å; S487-E491 WeakPolarHBondContact O-CG 3.43Å; S487-E491 PolarHBondContact O-N 2.91Å; T488-E491 PolarHBondContact O-N 2.76Å; E491-G495 PolarHBondContact O-N 3.26Å
492	L	95.8	Very high	84.3	Confident	21 Å²	21	43.9 Å²	43.9	11%	0.11	23%	0.23	C	C	.	.	H	α-helix	trans	-67.6	-42.4	178.1	-172.2	69.4	0	0	0	111.7	L57 Y71 Y72 V75 T488 N489 N490 L496	L57-L492 HydrophobicContact CD1-CB 4.44Å; L57-L492 HydrophobicContact CD1-CD2 3.95Å; L57-L492 HydrophobicContact CD1-CG 3.81Å; L57-L492 HydrophobicContact CD2-CD1 4.48Å; L57-L492 HydrophobicContact CD2-CD2 3.78Å; L57-L492 HydrophobicContact CD2-CG 3.91Å; L57-L492 HydrophobicContact CG-CD2 4.46Å; Y71-L492 HydrophobicContact CD1-CD1 4.23Å; Y71-L492 HydrophobicContact CE1-CD1 3.91Å; Y71-L492 WeakPolarHBondContact CE1-O 3.44Å; Y72-L492 HydrophobicContact CD2-CD1 4.22Å; Y72-L492 HydrophobicContact CD2-CD2 3.92Å; Y72-L492 HydrophobicContact CE2-CD2 4.19Å; V75-L492 HydrophobicContact CB-CD1 4.14Å; V75-L492 HydrophobicContact CG1-CD1 4.05Å; V75-L492 HydrophobicContact CG2-CD1 4.01Å; T488-L492 PolarHBondContact O-N 3.44Å; N489-L492 PolarHBondContact O-N 2.85Å; N490-L492 VanDerWaalsContact C-N 3.29Å; N490-L492 PolarHBondContact O-N 3.23Å; L492-L496 WeakPolarHBondContact O-CB 3.32Å; L492-L496 PolarHBondContact O-N 3.2Å
493	I	95.8	Very high	86.5	Confident	23 Å²	23	37.9 Å²	37.9	12%	0.118	20%	0.204	C	C	.	.	H	α-helix	trans	-64.6	-48.9	176.1	-66.2	161.9	0	0	0	110.5	L57 Q60 A61 N489 N490 G495 L496 W497	L57-I493 HydrophobicContact CD1-CG1 3.85Å; Q60-I493 HydrophobicContact CB-CD1 3.9Å; Q60-I493 HydrophobicContact CB-CG1 4Å; Q60-I493 HydrophobicContact CB-CG2 4.31Å; Q60-I493 HydrophobicContact CG-CD1 4.43Å; A61-I493 HydrophobicContact CB-CG2 4.14Å; N489-I493 WeakPolarHBondContact O-CG1 3.4Å; N489-I493 PolarHBondContact O-N 3.06Å; N489-I493 VanDerWaalsContact O-N 3.11Å; N490-I493 PolarHBondContact O-N 3.46Å; I493-G495 VanDerWaalsContact C-N 3.33Å; I493-G495 PolarHBondContact O-N 3.49Å; I493-L496 PolarHBondContact O-N 3.42Å; I493-W497 PolarHBondContact O-N 3.12Å
494	Q	95.4	Very high	88.5	Confident	12 Å²	12	34.6 Å²	34.6	6%	0.056	18%	0.183	C	C	.	.	H	α-helix	trans	-62	-43.3	179.7	-71.6	179.1	3.7	0	0	111.5	Q424 N490 W497 C498	Q424-Q494 VanDerWaalsContact CD-NE2 3.26Å; N490-Q494 PolarHBondContact ND2-NE2 3.44Å; N490-Q494 WeakPolarHBondContact O-CB 3.37Å; N490-Q494 VanDerWaalsContact O-CG 3.24Å; N490-Q494 WeakPolarHBondContact O-CG 3.32Å; N490-Q494 PolarHBondContact O-N 3.09Å; N490-Q494 PolarHBondContact OD1-NE2 3.11Å; Q494-W497 PolarHBondContact O-N 3.02Å; Q494-C498 WeakPolarHBondContact O-CB 3.5Å; Q494-C498 PolarHBondContact O-N 2.84Å; Q494-C498 PolarHBondContact O-SG 2.82Å
495	G	98	Very high	90.3	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-67.9	-36.7	179.9	0	0	0	0	0	113	Y71 G465 E491 I493 C498 F499	Y71-G495 WeakPolarHBondContact OH-CA 3.39Å; G465-G495 WeakPolarHBondContact O-CA 3.48Å; E491-G495 PolarHBondContact O-N 3.26Å; I493-G495 VanDerWaalsContact C-N 3.33Å; I493-G495 PolarHBondContact O-N 3.49Å; G495-C498 PolarHBondContact O-N 3.02Å; G495-F499 WeakPolarHBondContact O-CB 3.5Å; G495-F499 PolarHBondContact O-N 3.43Å
496	L	98.4	Very high	92.3	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-65.1	-44.7	171.9	175.4	55.5	0	0	0	111.5	L57 A61 A68 Y71 L492 I493 C498 F499 D500	L57-L496 HydrophobicContact CD1-CD2 4.09Å; L57-L496 HydrophobicContact CD2-CD2 4.09Å; L57-L496 HydrophobicContact CG-CD2 3.61Å; A61-L496 HydrophobicContact CB-CB 3.94Å; A61-L496 HydrophobicContact CB-CD2 3.54Å; A61-L496 HydrophobicContact CB-CG 3.66Å; A68-L496 HydrophobicContact CB-CD1 4.46Å; A68-L496 HydrophobicContact CB-CD2 3.58Å; Y71-L496 HydrophobicContact CD1-CB 3.66Å; Y71-L496 HydrophobicContact CD1-CD1 4.2Å; Y71-L496 HydrophobicContact CD1-CG 4.46Å; Y71-L496 HydrophobicContact CE1-CB 3.99Å; Y71-L496 VanDerWaalsContact CE1-N 3.26Å; Y71-L496 HydrophobicContact CG-CB 4.28Å; Y71-L496 HydrophobicContact CG-CD1 4.06Å; L492-L496 WeakPolarHBondContact O-CB 3.32Å; L492-L496 PolarHBondContact O-N 3.2Å; I493-L496 PolarHBondContact O-N 3.42Å; L496-C498 VanDerWaalsContact C-N 3.29Å; L496-C498 PolarHBondContact O-N 2.68Å; L496-F499 HydrophobicContact CD1-CD1 4Å; L496-F499 WeakPolarHBondContact O-CB 3.35Å; L496-F499 PolarHBondContact O-N 3.29Å; L496-D500 PolarHBondContact O-N 3.15Å
497	W	97.6	Very high	93.6	Very high	7 Å²	7	18.5 Å²	18.5	3%	0.027	10%	0.1	C	C	.	.	H	α-helix	trans	-59.5	-42.7	175	-177.8	89.3	0	0	0	111.3	L419 A420 D444 I493 Q494 D500 T501	L419-W497 HydrophobicContact CB-CH2 4.05Å; A420-W497 HydrophobicContact CB-CE3 3.99Å; A420-W497 HydrophobicContact CB-CH2 4.49Å; A420-W497 HydrophobicContact CB-CZ3 3.56Å; D444-W497 PolarHBondContact OD1-NE1 2.85Å; I493-W497 PolarHBondContact O-N 3.12Å; Q494-W497 PolarHBondContact O-N 3.02Å; W497-D500 PolarHBondContact O-N 2.81Å; W497-T501 HydrophobicContact CH2-CG2 3.83Å; W497-T501 HydrophobicContact CZ2-CG2 4.36Å; W497-T501 WeakPolarHBondContact CZ2-OG1 3.1Å; W497-T501 HydrophobicContact CZ3-CG2 4.02Å; W497-T501 WeakPolarHBondContact O-CB 3.36Å; W497-T501 PolarHBondContact O-N 3.31Å; W497-T501 PolarHBondContact O-OG1 3.41Å
498	C	98.4	Very high	94.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-65.2	-40.4	176.3	-66.4	0	0	0	0	112	C416 I468 Q494 G495 L496 D500 T501 L502	C416-C498 PolarHBondContact SG-O 2.8Å; I468-C498 HydrophobicContact CB-CB 4.43Å; I468-C498 HydrophobicContact CG2-CB 4.19Å; I468-C498 WeakPolarHBondContact CG2-SG 3.44Å; Q494-C498 WeakPolarHBondContact O-CB 3.5Å; Q494-C498 PolarHBondContact O-N 2.84Å; Q494-C498 PolarHBondContact O-SG 2.82Å; G495-C498 PolarHBondContact O-N 3.02Å; L496-C498 VanDerWaalsContact C-N 3.29Å; L496-C498 PolarHBondContact O-N 2.68Å; C498-D500 VanDerWaalsContact C-N 3.35Å; C498-D500 PolarHBondContact O-N 2.97Å; C498-T501 PolarHBondContact O-N 2.73Å; C498-L502 WeakPolarHBondContact O-CB 3.39Å; C498-L502 WeakPolarHBondContact O-CD1 3.44Å; C498-L502 VanDerWaalsContact O-CG 3.23Å; C498-L502 WeakPolarHBondContact O-CG 3.37Å; C498-L502 PolarHBondContact O-N 3.34Å
499	F	98.6	Very high	95.7	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-55.1	-51.1	174.9	172.4	-127.9	0	0	0	110.8	S67 F70 Y71 F450 L458 Y461 A462 G495 L496 R503	S67-F499 WeakPolarHBondContact OG-CD1 3.06Å; S67-F499 WeakPolarHBondContact OG-CE1 3.44Å; F70-F499 HydrophobicContact CD1-CE1 4.21Å; F70-F499 AromaticContact CD1-CZ 3.75Å; F70-F499 HydrophobicContact CD1-CZ 3.75Å; F70-F499 HydrophobicContact CE1-CZ 4.24Å; Y71-F499 HydrophobicContact CD2-CB 3.7Å; Y71-F499 AromaticContact CD2-CD1 3.89Å; Y71-F499 HydrophobicContact CD2-CD1 3.89Å; Y71-F499 HydrophobicContact CD2-CD2 4.5Å; Y71-F499 AromaticContact CD2-CG 3.79Å; Y71-F499 HydrophobicContact CD2-CG 3.79Å; Y71-F499 HydrophobicContact CE2-CB 4.03Å; Y71-F499 HydrophobicContact CG-CB 4.42Å; Y71-F499 HydrophobicContact CG-CD1 4.12Å; Y71-F499 HydrophobicContact CG-CG 4.44Å; F450-F499 HydrophobicContact CD2-CE1 4.27Å; F450-F499 HydrophobicContact CD2-CZ 4.24Å; F450-F499 AromaticContact CE2-CE1 3.99Å; F450-F499 HydrophobicContact CE2-CE1 3.99Å; F450-F499 AromaticContact CE2-CZ 3.91Å; F450-F499 HydrophobicContact CE2-CZ 3.91Å; L458-F499 HydrophobicContact CB-CZ 4.4Å; L458-F499 HydrophobicContact CD2-CE2 4.38Å; L458-F499 HydrophobicContact CD2-CZ 4.12Å; L458-F499 WeakPolarHBondContact O-CE2 3.34Å; Y461-F499 VanDerWaalsContact C-CD2 3.45Å; A462-F499 VanDerWaalsContact CA-CD2 3.49Å; A462-F499 HydrophobicContact CB-CD2 3.92Å; A462-F499 HydrophobicContact CB-CE2 3.84Å; A462-F499 HydrophobicContact CB-CZ 4.35Å; A462-F499 VanDerWaalsContact N-CD2 3.31Å; G495-F499 WeakPolarHBondContact O-CB 3.5Å; G495-F499 PolarHBondContact O-N 3.43Å; L496-F499 HydrophobicContact CD1-CD1 4Å; L496-F499 WeakPolarHBondContact O-CB 3.35Å; L496-F499 PolarHBondContact O-N 3.29Å; F499-R503 PolarHBondContact O-NH1 2.81Å
500	D	98.4	Very high	96.3	Very high	1 Å²	1	13.5 Å²	13.5	1%	0.005	7%	0.071	C	C	.	.	H	α-helix	trans	-63.1	-46.4	176.6	-67.4	-4.5	0	0	0	112.3	S63 S67 L496 W497 C498 L502 R503 R504	S63-D500 WeakPolarHBondContact CA-OD2 3.48Å; S63-D500 WeakPolarHBondContact CB-OD2 3.24Å; S63-D500 PolarHBondContact OG-OD1 2.86Å; S63-D500 PolarHBondContact OG-OD2 3.07Å; S67-D500 PolarHBondContact OG-OD1 2.98Å; L496-D500 PolarHBondContact O-N 3.15Å; W497-D500 PolarHBondContact O-N 2.81Å; C498-D500 VanDerWaalsContact C-N 3.35Å; C498-D500 PolarHBondContact O-N 2.97Å; D500-L502 VanDerWaalsContact C-N 3.33Å; D500-L502 PolarHBondContact O-N 3.05Å; D500-R503 PolarHBondContact O-N 3.47Å; D500-R503 VanDerWaalsContact O-N 3.13Å; D500-R503 IonicContact OD1-CZ 2.63Å; D500-R503 IonicContact OD1-NH1 3.17Å; D500-R503 IonicContact OD1-NH2 3.66Å; D500-R503 PolarHBondContact OD1-NH2 3.36Å; D500-R504 WeakPolarHBondContact O-CG 3.16Å; D500-R504 PolarHBondContact O-N 3.45Å
501	T	98.1	Very high	96.6	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-63.9	-34.9	-178.1	-65.9	0	0	0	0	112.7	W497 C498 R503 R504 L505	W497-T501 HydrophobicContact CH2-CG2 3.83Å; W497-T501 HydrophobicContact CZ2-CG2 4.36Å; W497-T501 WeakPolarHBondContact CZ2-OG1 3.1Å; W497-T501 HydrophobicContact CZ3-CG2 4.02Å; W497-T501 WeakPolarHBondContact O-CB 3.36Å; W497-T501 PolarHBondContact O-N 3.31Å; W497-T501 PolarHBondContact O-OG1 3.41Å; C498-T501 PolarHBondContact O-N 2.73Å; T501-R503 VanDerWaalsContact C-N 3.27Å; T501-R503 PolarHBondContact O-N 3.03Å; T501-R504 WeakPolarHBondContact O-CB 3.4Å; T501-R504 PolarHBondContact O-N 3.23Å; T501-R504 PolarHBondContact OG1-NH1 3.08Å; T501-L505 HydrophobicContact CG2-CD1 4.13Å; T501-L505 HydrophobicContact CG2-CG 4.15Å; T501-L505 WeakPolarHBondContact O-CB 3.29Å; T501-L505 VanDerWaalsContact O-CG 3.25Å; T501-L505 WeakPolarHBondContact O-CG 3.22Å; T501-L505 PolarHBondContact O-N 3.27Å
502	L	98.4	Very high	96.7	Very high	5 Å²	5	12.3 Å²	12.3	3%	0.026	7%	0.071	C	C	.	.	H	α-helix	trans	-55.8	-43	173	-78.7	163.1	0	0	0	112	C416 Y461 T464 C498 D500 L505 Q506	C416-L502 HydrophobicContact CB-CD2 3.92Å; C416-L502 HydrophobicContact CB-CG 4.17Å; Y461-L502 HydrophobicContact CD1-CB 3.78Å; Y461-L502 HydrophobicContact CD1-CD1 4.23Å; Y461-L502 HydrophobicContact CD1-CG 4.42Å; Y461-L502 HydrophobicContact CE1-CB 4.34Å; Y461-L502 HydrophobicContact CG-CB 4.28Å; Y461-L502 WeakPolarHBondContact O-CD1 3.45Å; T464-L502 HydrophobicContact CG2-CD1 3.7Å; T464-L502 HydrophobicContact CG2-CD2 4.12Å; C498-L502 WeakPolarHBondContact O-CB 3.39Å; C498-L502 WeakPolarHBondContact O-CD1 3.44Å; C498-L502 VanDerWaalsContact O-CG 3.23Å; C498-L502 WeakPolarHBondContact O-CG 3.37Å; C498-L502 PolarHBondContact O-N 3.34Å; D500-L502 VanDerWaalsContact C-N 3.33Å; D500-L502 PolarHBondContact O-N 3.05Å; L502-L505 PolarHBondContact O-N 3.29Å; L502-Q506 PolarHBondContact O-N 3.09Å
503	R	97.7	Very high	96.4	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-74.4	-36.2	178.3	-60.7	-173.9	-58.8	-79.1	8.1	112.4	S67 E448 F453 Y461 F499 D500 T501 L505 Q506	S67-R503 PolarHBondContact OG-NH2 3.36Å; S67-R503 VanDerWaalsContact OG-NH2 3.09Å; E448-R503 HydrophobicContact CB-CB 4.46Å; E448-R503 WeakPolarHBondContact O-CB 3.4Å; E448-R503 PolarHBondContact O-NE 3Å; E448-R503 IonicContact OE2-CZ 4Å; E448-R503 IonicContact OE2-NE 3.13Å; E448-R503 PolarHBondContact OE2-NE 3.15Å; E448-R503 IonicContact OE2-NH2 3.81Å; E448-R503 PolarHBondContact OE2-NH2 3.38Å; F453-R503 HydrophobicContact CD2-CB 4.19Å; F453-R503 HydrophobicContact CD2-CG 4.01Å; F453-R503 HydrophobicContact CE2-CB 3.69Å; F453-R503 HydrophobicContact CE2-CG 3.91Å; F453-R503 HydrophobicContact CZ-CB 4.35Å; F453-R503 HydrophobicContact CZ-CG 4.49Å; Y461-R503 HydrophobicContact CD2-CG 3.64Å; Y461-R503 HydrophobicContact CE2-CG 3.97Å; Y461-R503 HydrophobicContact CG-CG 4.21Å; F499-R503 PolarHBondContact O-NH1 2.81Å; D500-R503 PolarHBondContact O-N 3.47Å; D500-R503 VanDerWaalsContact O-N 3.13Å; D500-R503 IonicContact OD1-CZ 2.63Å; D500-R503 IonicContact OD1-NH1 3.17Å; D500-R503 IonicContact OD1-NH2 3.66Å; D500-R503 PolarHBondContact OD1-NH2 3.36Å; T501-R503 VanDerWaalsContact C-N 3.27Å; T501-R503 PolarHBondContact O-N 3.03Å; R503-L505 VanDerWaalsContact C-N 3.31Å; R503-L505 PolarHBondContact O-N 3.08Å; R503-Q506 PolarHBondContact O-N 3.06Å
504	R	97.3	Very high	95.9	Very high	8 Å²	8	14.9 Å²	14.9	3%	0.03	8%	0.084	C	C	.	.	H	α-helix	trans	-56.4	-47.9	168.7	-63.9	174.7	-180	120.4	-3.1	110.2	N62 T443 D444 L446 E448 D500 T501 Q506 C507 N508	N62-R504 PolarHBondContact O-NH2 3Å; T443-R504 WeakPolarHBondContact O-CD 3.26Å; D444-R504 PolarHBondContact O-NE 3.37Å; D444-R504 PolarHBondContact O-NH2 3.04Å; L446-R504 HydrophobicContact CB-CB 4.39Å; L446-R504 HydrophobicContact CB-CG 4.26Å; L446-R504 PolarHBondContact O-NE 3.03Å; E448-R504 HydrophobicContact CB-CG 3.79Å; D500-R504 WeakPolarHBondContact O-CG 3.16Å; D500-R504 PolarHBondContact O-N 3.45Å; T501-R504 WeakPolarHBondContact O-CB 3.4Å; T501-R504 PolarHBondContact O-N 3.23Å; T501-R504 PolarHBondContact OG1-NH1 3.08Å; R504-Q506 VanDerWaalsContact C-N 3.34Å; R504-Q506 PolarHBondContact O-N 3.47Å; R504-C507 PolarHBondContact O-N 3.43Å; R504-N508 VanDerWaalsContact O-CB 3.23Å; R504-N508 WeakPolarHBondContact O-CB 3.27Å; R504-N508 PolarHBondContact O-N 2.92Å; R504-N508 PolarHBondContact O-ND2 2.68Å
505	L	97.5	Very high	95.3	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-63	-38.4	-179.6	-70.6	174.5	0	0	0	112.3	L412 L415 C416 L419 T501 L502 R503 C507 N508 A509 L558	L412-L505 HydrophobicContact CB-CB 4.47Å; L412-L505 HydrophobicContact CD1-CB 4.15Å; L415-L505 HydrophobicContact CB-CD1 4.34Å; L415-L505 HydrophobicContact CD2-CD1 4.34Å; L415-L505 HydrophobicContact CD2-CD2 3.75Å; L415-L505 HydrophobicContact CG-CD1 4.23Å; L415-L505 HydrophobicContact CG-CD2 4.3Å; C416-L505 HydrophobicContact CB-CD1 3.84Å; L419-L505 HydrophobicContact CD1-CD1 4.44Å; L419-L505 HydrophobicContact CD1-CD2 3.99Å; T501-L505 HydrophobicContact CG2-CD1 4.13Å; T501-L505 HydrophobicContact CG2-CG 4.15Å; T501-L505 WeakPolarHBondContact O-CB 3.29Å; T501-L505 VanDerWaalsContact O-CG 3.25Å; T501-L505 WeakPolarHBondContact O-CG 3.22Å; T501-L505 PolarHBondContact O-N 3.27Å; L502-L505 PolarHBondContact O-N 3.29Å; R503-L505 VanDerWaalsContact C-N 3.31Å; R503-L505 PolarHBondContact O-N 3.08Å; L505-C507 PolarHBondContact O-N 3.26Å; L505-N508 PolarHBondContact O-N 2.99Å; L505-A509 HydrophobicContact CB-CB 4.33Å; L505-A509 HydrophobicContact CD2-CB 4.18Å; L505-A509 WeakPolarHBondContact O-CB 3.45Å; L505-A509 PolarHBondContact O-N 2.85Å; L505-L558 HydrophobicContact CD2-CB 4.33Å; L505-L558 HydrophobicContact CD2-CD1 4.34Å; L505-L558 HydrophobicContact CD2-CD2 4.19Å
506	Q	95.4	Very high	94.2	Very high	55 Å²	55	23.4 Å²	23.4	26%	0.257	13%	0.126	S	C	.	.	H	α-helix	trans	-57	-35.9	179.5	-174.6	64	3.3	0	0	113	F453 L502 R503 R504 Q620	F453-Q506 HydrophobicContact CE1-CG 4.06Å; F453-Q506 HydrophobicContact CZ-CB 3.98Å; F453-Q506 HydrophobicContact CZ-CG 3.8Å; L502-Q506 PolarHBondContact O-N 3.09Å; R503-Q506 PolarHBondContact O-N 3.06Å; R504-Q506 VanDerWaalsContact C-N 3.34Å; R504-Q506 PolarHBondContact O-N 3.47Å; Q506-Q620 PolarHBondContact O-NE2 3.01Å
507	C	93.8	Very high	92.9	Very high	13 Å²	13	24.7 Å²	24.7	9%	0.088	13%	0.134	C	C	.	.	H	α-helix	trans	-100.9	-13.8	-178.2	-55	0	0	0	0	114.1	R504 L505 Q620 Y621	R504-C507 PolarHBondContact O-N 3.43Å; L505-C507 PolarHBondContact O-N 3.26Å; C507-Q620 PolarHBondContact SG-O 2.67Å; C507-Q620 VanDerWaalsContact SG-O 3.42Å; C507-Y621 HydrophobicContact CB-CD1 4.16Å; C507-Y621 VanDerWaalsContact O-CE1 3.24Å; C507-Y621 WeakPolarHBondContact O-CE1 3.48Å
508	N	95.9	Very high	91.1	Very high	21 Å²	21	29.2 Å²	29.2	11%	0.112	16%	0.158	C	C	.	.	H	α-helix	trans	-129.5	-10.7	-169.7	-58.1	-92	0	0	0	114	L446 R504 L505 H510 L558 S563	L446-N508 HydrophobicContact CD1-CB 3.94Å; R504-N508 VanDerWaalsContact O-CB 3.23Å; R504-N508 WeakPolarHBondContact O-CB 3.27Å; R504-N508 PolarHBondContact O-N 2.92Å; R504-N508 PolarHBondContact O-ND2 2.68Å; L505-N508 PolarHBondContact O-N 2.99Å; N508-H510 PolarHBondContact O-CE1 2.96Å; N508-H510 VanDerWaalsContact O-CE1 3.29Å; N508-H510 PolarHBondContact O-N 2.78Å; N508-H510 PolarHBondContact O-ND1 3.43Å; N508-L558 HydrophobicContact CB-CD1 3.7Å; N508-L558 VanDerWaalsContact O-CD1 3.28Å; N508-L558 WeakPolarHBondContact O-CD1 3.42Å; N508-S563 PolarHBondContact O-OG 3.18Å; N508-S563 WeakPolarHBondContact OD1-CB 3.25Å
509	A	95.5	Very high	89.3	Confident	25 Å²	25	31.4 Å²	31.4	21%	0.207	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	134.3	177.5	0	0	0	0	0	110.8	L412 L505 G557	L412-A509 HydrophobicContact CD2-CB 4.19Å; L505-A509 HydrophobicContact CB-CB 4.33Å; L505-A509 HydrophobicContact CD2-CB 4.18Å; L505-A509 WeakPolarHBondContact O-CB 3.45Å; L505-A509 PolarHBondContact O-N 2.85Å; A509-G557 CarbonylContact C-O 3.53Å; A509-G557 WeakPolarHBondContact CA-O 3.37Å
510	H	95.7	Very high	87.2	Confident	25 Å²	25	35.1 Å²	35.1	12%	0.116	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	144.3	178.3	-66.3	62.7	0	0	0	109.9	N508 T556 G557 F559 S563	N508-H510 PolarHBondContact O-CE1 2.96Å; N508-H510 VanDerWaalsContact O-CE1 3.29Å; N508-H510 PolarHBondContact O-N 2.78Å; N508-H510 PolarHBondContact O-ND1 3.43Å; H510-T556 VanDerWaalsContact O-CA 3.28Å; H510-T556 WeakPolarHBondContact O-CA 3.43Å; H510-T556 PolarHBondContact O-OG1 2.72Å; H510-G557 PolarHBondContact N-O 2.68Å; H510-G557 PolarHBondContact O-N 3.46Å; H510-G557 VanDerWaalsContact O-N 3.13Å; H510-F559 HydrophobicContact CB-CD2 3.9Å; H510-F559 HydrophobicContact CB-CE2 4.09Å; H510-F559 AromaticContact CG-CD2 3.85Å; H510-S563 PolarHBondContact CE1-OG 2.87Å
511	A	94	Very high	85.1	Confident	37 Å²	37	39.2 Å²	39.2	31%	0.306	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	116.8	167.7	0	0	0	0	0	108.2	R553 F577	A511-R553 HydrophobicContact CB-CG 3.89Å; A511-F577 VanDerWaalsContact O-CE2 3.25Å; A511-F577 WeakPolarHBondContact O-CE2 3.37Å; A511-F577 WeakPolarHBondContact O-CZ 3.43Å
512	I	94.4	Very high	83	Confident	6 Å²	6	41.2 Å²	41.2	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	132.5	172.5	-67.5	76.3	0	0	0	106.6	L332 I554 A555 F559 F577	L332-I512 HydrophobicContact CD2-CD1 3.68Å; L332-I512 HydrophobicContact CD2-CG1 4.06Å; I512-I554 HydrophobicContact CB-CG1 4.4Å; I512-I554 HydrophobicContact CG2-CD1 3.89Å; I512-I554 HydrophobicContact CG2-CG1 3.83Å; I512-I554 WeakPolarHBondContact O-CG1 3.46Å; I512-I554 PolarHBondContact O-N 3.34Å; I512-A555 HydrophobicContact CB-CB 3.98Å; I512-A555 HydrophobicContact CG2-CB 4.44Å; I512-A555 PolarHBondContact N-O 3.47Å; I512-A555 PolarHBondContact O-N 3.09Å; I512-F559 HydrophobicContact CD1-CE2 4.2Å; I512-F577 HydrophobicContact CB-CD2 4.46Å; I512-F577 HydrophobicContact CB-CE2 4.46Å; I512-F577 HydrophobicContact CG1-CD1 3.96Å; I512-F577 HydrophobicContact CG1-CE1 3.81Å; I512-F577 HydrophobicContact CG1-CG 4.38Å; I512-F577 HydrophobicContact CG1-CZ 4.12Å; I512-F577 HydrophobicContact CG2-CB 4.3Å; I512-F577 HydrophobicContact CG2-CD1 4.33Å; I512-F577 HydrophobicContact CG2-CD2 4.13Å; I512-F577 HydrophobicContact CG2-CG 3.97Å
513	T	90.8	Very high	80.6	Confident	28 Å²	28	47.7 Å²	47.7	17%	0.172	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	149.9	-171.4	60.9	0	0	0	0	112.4	Q551 I552	T513-Q551 HydrophobicContact CG2-CG 3.73Å; T513-Q551 WeakPolarHBondContact OG1-CG 3.5Å; T513-Q551 PolarHBondContact OG1-NE2 2.85Å; T513-I552 CarbonylContact C-O 3.47Å; T513-I552 WeakPolarHBondContact CA-O 3.12Å; T513-I552 VanDerWaalsContact CB-O 3.27Å; T513-I552 WeakPolarHBondContact CB-O 3.34Å
514	E	85.1	Confident	78.4	Confident	70 Å²	70	52.7 Å²	52.7	33%	0.327	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	159.8	169.1	-74.1	178.3	178.1	0	0	110.1	Q342 Q551 I552 I554	Q342-E514 VanDerWaalsContact NE2-CD 3.31Å; Q342-E514 PolarHBondContact NE2-OE1 3.01Å; Q342-E514 PolarHBondContact NE2-OE2 2.93Å; E514-Q551 CarbonylContact O-C 3.57Å; E514-Q551 WeakPolarHBondContact O-CA 3.03Å; E514-I552 HydrophobicContact CB-CG1 4.34Å; E514-I552 PolarHBondContact N-O 3.25Å; E514-I552 WeakPolarHBondContact O-CG1 3.26Å; E514-I552 PolarHBondContact O-N 2.87Å; E514-I554 HydrophobicContact CB-CG2 4.15Å; E514-I554 HydrophobicContact CG-CD1 3.74Å; E514-I554 HydrophobicContact CG-CG1 4.22Å; E514-I554 HydrophobicContact CG-CG2 4.21Å; E514-I554 WeakPolarHBondContact OE1-CD1 3.39Å
515	I	82.4	Confident	76.1	Confident	102 Å²	102	57 Å²	57	52%	0.523	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	118.3	173.7	-62.8	174	0	0	0	107.9	F549 Q550	I515-F549 HydrophobicContact CG2-CB 4.12Å; I515-F549 HydrophobicContact CG2-CD1 3.53Å; I515-F549 HydrophobicContact CG2-CE1 4.43Å; I515-F549 HydrophobicContact CG2-CG 4.23Å; I515-Q550 WeakPolarHBondContact CA-O 3.03Å
516	E	75.4	Confident	73.9	Confident	88 Å²	88	60.3 Å²	60.3	41%	0.411	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	154.8	173	-171.2	-179.9	-154	0	0	109.5	F549 Q550 I552	E516-F549 WeakPolarHBondContact O-CA 3.41Å; E516-Q550 HydrophobicContact CB-CG 4.34Å; E516-Q550 PolarHBondContact N-O 2.82Å; E516-Q550 WeakPolarHBondContact O-CG 3.5Å; E516-Q550 PolarHBondContact O-N 3.34Å; E516-Q550 PolarHBondContact OE2-NE2 3.19Å; E516-I552 HydrophobicContact CB-CD1 4.03Å; E516-I552 HydrophobicContact CB-CG1 4.09Å; E516-I552 HydrophobicContact CB-CG2 4.22Å
517	V	69.8	Low	71.6	Confident	28 Å²	28	60 Å²	60	17%	0.17	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	122.1	170.2	-172.8	0	0	0	0	109.7	D519 I522 K548 F549	V517-D519 VanDerWaalsContact C-N 3.29Å; V517-D519 PolarHBondContact O-N 2.73Å; V517-D519 VanDerWaalsContact O-N 3.1Å; V517-I522 HydrophobicContact CB-CD1 3.49Å; V517-I522 VanDerWaalsContact CB-CD1 3.49Å; V517-I522 HydrophobicContact CB-CG1 4.41Å; V517-I522 HydrophobicContact CG1-CD1 3.29Å; V517-I522 HydrophobicContact CG1-CG1 3.67Å; V517-I522 HydrophobicContact CG2-CD1 3.98Å; V517-K548 HydrophobicContact CG1-CB 3.85Å; V517-F549 HydrophobicContact CG2-CD1 3.59Å; V517-F549 HydrophobicContact CG2-CE1 3.35Å; V517-F549 HydrophobicContact CG2-CG 4.42Å; V517-F549 HydrophobicContact CG2-CZ 4.02Å
518	N	60.7	Low	69.6	Low	101 Å²	101	63.5 Å²	63.5	54%	0.54	35%	0.347	S	S	.	.			trans	-84.9	63.2	178	-167.7	9.1	0	0	0	111.4	K548 Q550	N518-K548 WeakPolarHBondContact CB-O 3.45Å; N518-K548 PolarHBondContact N-O 3.26Å; N518-Q550 HydrophobicContact CB-CG 4.13Å; N518-Q550 PolarHBondContact ND2-OE1 3.29Å
519	D	60.1	Low	67.5	Low	46 Å²	46	70.4 Å²	70.4	25%	0.246	38%	0.384	C	S	.	.			trans	-159.8	136.1	169.3	-146	-48.7	0	0	0	112.6	V517 D521 I522 K548	V517-D519 VanDerWaalsContact C-N 3.29Å; V517-D519 PolarHBondContact O-N 2.73Å; V517-D519 VanDerWaalsContact O-N 3.1Å; D519-D521 VanDerWaalsContact C-N 3.28Å; D519-D521 PolarHBondContact OD1-N 3.2Å; D519-I522 HydrophobicContact CB-CG1 4.33Å; D519-K548 HydrophobicContact CB-CD 4.39Å; D519-K548 WeakPolarHBondContact OD2-CE 3.38Å; D519-K548 IonicContact OD2-NZ 3.91Å; D519-K548 PolarHBondContact OD2-NZ 3.25Å
520	S	54.6	Low	65.6	Low	78 Å²	78	76.7 Å²	76.7	55%	0.545	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-23.6	173	57.1	0	0	0	0	112.4
521	D	53.6	Low	63.7	Low	88 Å²	88	77.2 Å²	77.2	47%	0.471	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	29.8	-164.8	-62	-6.6	0	0	0	112.4	D519 Q523 T524	D519-D521 VanDerWaalsContact C-N 3.28Å; D519-D521 PolarHBondContact OD1-N 3.2Å; D521-Q523 PolarHBondContact O-N 3.06Å; D521-T524 HydrophobicContact CB-CG2 4.24Å; D521-T524 WeakPolarHBondContact O-CB 3.47Å; D521-T524 PolarHBondContact O-N 2.94Å; D521-T524 PolarHBondContact O-OG1 2.94Å
522	I	53.9	Low	62	Low	42 Å²	42	79.2 Å²	79.2	22%	0.215	42%	0.418	C	S	.	.	G	3₁₀ helix	trans	-45.8	-35.9	174.4	-73.5	167.9	0	0	0	112.1	V517 D519 T524 W525 F526	V517-I522 HydrophobicContact CB-CD1 3.49Å; V517-I522 VanDerWaalsContact CB-CD1 3.49Å; V517-I522 HydrophobicContact CB-CG1 4.41Å; V517-I522 HydrophobicContact CG1-CD1 3.29Å; V517-I522 HydrophobicContact CG1-CG1 3.67Å; V517-I522 HydrophobicContact CG2-CD1 3.98Å; D519-I522 HydrophobicContact CB-CG1 4.33Å; I522-T524 PolarHBondContact O-N 3.21Å; I522-W525 PolarHBondContact O-N 3.34Å; I522-F526 HydrophobicContact CG2-CD2 4.07Å; I522-F526 HydrophobicContact CG2-CE2 3.81Å; I522-F526 PolarHBondContact O-N 2.96Å
523	Q	48.4	Very low	60.2	Low	140 Å²	140	80.3 Å²	80.3	65%	0.654	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-57.7	-30	178.6	-66.9	-177.5	-2.4	0	0	113.4	D521 W525	D521-Q523 PolarHBondContact O-N 3.06Å; Q523-W525 VanDerWaalsContact C-N 3.3Å
524	T	51.1	Low	58.7	Low	106 Å²	106	85.2 Å²	85.2	65%	0.65	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-78.9	-15.4	179.1	64.7	0	0	0	0	113.2	D521 I522	D521-T524 HydrophobicContact CB-CG2 4.24Å; D521-T524 WeakPolarHBondContact O-CB 3.47Å; D521-T524 PolarHBondContact O-N 2.94Å; D521-T524 PolarHBondContact O-OG1 2.94Å; I522-T524 PolarHBondContact O-N 3.21Å
525	W	50.9	Low	57.7	Low	98 Å²	98	84.8 Å²	84.8	37%	0.371	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-15.1	-169.2	-100.1	74	0	0	0	115.1	I522 Q523 P527 L541 P544 F545	I522-W525 PolarHBondContact O-N 3.34Å; Q523-W525 VanDerWaalsContact C-N 3.3Å; W525-P527 WeakPolarHBondContact O-CD 3.38Å; W525-P527 WeakPolarHBondContact O-CG 3.45Å; W525-L541 WeakPolarHBondContact CZ3-O 3.41Å; W525-P544 HydrophobicContact CH2-CB 3.4Å; W525-P544 HydrophobicContact CH2-CG 3.96Å; W525-P544 HydrophobicContact CZ2-CB 4.43Å; W525-P544 HydrophobicContact CZ3-CB 3.6Å; W525-P544 HydrophobicContact CZ3-CG 4.2Å; W525-F545 HydrophobicContact CE3-CB 4.39Å
526	F	49.8	Very low	56.7	Low	69 Å²	69	83 Å²	83	30%	0.303	45%	0.451	S	S	.	.	S	Bend	trans	-59.7	111.4	168	-92.6	-82.5	0	0	0	107.9	I522 S528 T668	I522-F526 HydrophobicContact CG2-CD2 4.07Å; I522-F526 HydrophobicContact CG2-CE2 3.81Å; I522-F526 PolarHBondContact O-N 2.96Å; F526-S528 PolarHBondContact O-N 3.41Å; F526-T668 HydrophobicContact CE2-CG2 4.39Å; F526-T668 HydrophobicContact CZ-CG2 3.69Å
527	P	47.9	Very low	56.2	Low	50 Å²	50	83.8 Å²	83.8	33%	0.325	46%	0.458	S	S	.	.			trans	-71.3	110.4	177.4	-14.1	33.7	0	0	0	104.8	W525 D529 I531	W525-P527 WeakPolarHBondContact O-CD 3.38Å; W525-P527 WeakPolarHBondContact O-CG 3.45Å; P527-D529 PolarHBondContact O-N 2.82Å; P527-I531 HydrophobicContact CB-CD1 3.97Å; P527-I531 HydrophobicContact CB-CG1 3.46Å; P527-I531 VanDerWaalsContact CB-CG1 3.46Å; P527-I531 HydrophobicContact CG-CD1 3.46Å; P527-I531 VanDerWaalsContact CG-CD1 3.46Å; P527-I531 HydrophobicContact CG-CG1 3.56Å
528	S	50.7	Low	55.8	Low	85 Å²	85	84.3 Å²	84.3	59%	0.594	46%	0.46	S	S	*	.			trans	-43.3	101.7	-179.6	48	0	0	0	0	111	F526 Q530	F526-S528 PolarHBondContact O-N 3.41Å; S528-Q530 WeakPolarHBondContact O-CA 3.48Å; S528-Q530 WeakPolarHBondContact O-CB 3.18Å; S528-Q530 WeakPolarHBondContact O-CG 3.29Å; S528-Q530 PolarHBondContact O-N 2.91Å
529	D	53	Low	55.6	Low	167 Å²	167	80.4 Å²	80.4	89%	0.893	44%	0.439	S	S	*	.	S	Bend	trans	36.7	11	174.4	-58.7	-27.6	0	0	0	118.9	P527	P527-D529 PolarHBondContact O-N 2.82Å
530	Q	54.3	Low	55.7	Low	156 Å²	156	85.1 Å²	85.1	73%	0.729	46%	0.457	S	S	*	.			trans	-124.7	13	-160.7	-74.5	-177.4	-2.1	0	0	113	S528 N532	S528-Q530 WeakPolarHBondContact O-CA 3.48Å; S528-Q530 WeakPolarHBondContact O-CB 3.18Å; S528-Q530 WeakPolarHBondContact O-CG 3.29Å; S528-Q530 PolarHBondContact O-N 2.91Å; Q530-N532 PolarHBondContact O-N 3.36Å; Q530-N532 VanDerWaalsContact O-N 3.08Å
531	I	56.1	Low	56.1	Low	36 Å²	36	85 Å²	85	19%	0.185	45%	0.45	C	S	.	.			trans	-70.1	106	166.6	-49.3	-178.6	0	0	0	108.1	P527 V533 D538 I542	P527-I531 HydrophobicContact CB-CD1 3.97Å; P527-I531 HydrophobicContact CB-CG1 3.46Å; P527-I531 VanDerWaalsContact CB-CG1 3.46Å; P527-I531 HydrophobicContact CG-CD1 3.46Å; P527-I531 VanDerWaalsContact CG-CD1 3.46Å; P527-I531 HydrophobicContact CG-CG1 3.56Å; I531-V533 PolarHBondContact O-N 3.44Å; I531-D538 HydrophobicContact CG2-CB 3.91Å; I531-I542 HydrophobicContact CD1-CG1 4.42Å; I531-I542 HydrophobicContact CG2-CD1 4.39Å
532	N	59.3	Low	56.5	Low	80 Å²	80	81.3 Å²	81.3	43%	0.428	43%	0.43	S	S	.	.			trans	-77.8	106.2	163.1	-176.4	1.8	0	0	0	108.5	Q530 N534 D535 D538	Q530-N532 PolarHBondContact O-N 3.36Å; Q530-N532 VanDerWaalsContact O-N 3.08Å; N532-N534 PolarHBondContact O-N 2.78Å; N532-N534 WeakPolarHBondContact OD1-CB 3.15Å; N532-N534 PolarHBondContact OD1-N 3.3Å; N532-N534 VanDerWaalsContact OD1-N 3.08Å; N532-N534 PolarHBondContact OD1-ND2 2.88Å; N532-D535 HydrophobicContact CB-CB 4.01Å; N532-D535 PolarHBondContact O-N 3.4Å; N532-D538 WeakPolarHBondContact CB-OD2 2.81Å; N532-D538 PolarHBondContact N-OD2 2.78Å
533	V	56.4	Low	57	Low	29 Å²	29	83.1 Å²	83.1	18%	0.176	44%	0.435	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-13.9	179.7	-146.9	0	0	0	0	112.6	I531 L539 I658 K661	I531-V533 PolarHBondContact O-N 3.44Å; V533-L539 HydrophobicContact CG1-CD2 3.93Å; V533-I658 HydrophobicContact CG1-CG1 3.86Å; V533-K661 HydrophobicContact CG2-CD 4.18Å
534	N	59.4	Low	57.9	Low	131 Å²	131	78.6 Å²	78.6	70%	0.701	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-8.4	174.2	-55.8	-53.2	0	0	0	113.4	N532	N532-N534 PolarHBondContact O-N 2.78Å; N532-N534 WeakPolarHBondContact OD1-CB 3.15Å; N532-N534 PolarHBondContact OD1-N 3.3Å; N532-N534 VanDerWaalsContact OD1-N 3.08Å; N532-N534 PolarHBondContact OD1-ND2 2.88Å
535	D	63.6	Low	58.7	Low	60 Å²	60	74.7 Å²	74.7	32%	0.321	39%	0.392	S	S	.	.			trans	-93.5	116.7	176.1	-167.2	-32.7	0	0	0	110.2	N532 N537 D538 L539	N532-D535 HydrophobicContact CB-CB 4.01Å; N532-D535 PolarHBondContact O-N 3.4Å; D535-N537 PolarHBondContact O-N 2.86Å; D535-N537 VanDerWaalsContact O-N 3.15Å; D535-N537 WeakPolarHBondContact OD1-CB 2.93Å; D535-N537 PolarHBondContact OD1-N 3.07Å; D535-N537 PolarHBondContact OD1-ND2 3.43Å; D535-D538 HydrophobicContact CB-CB 4.13Å; D535-D538 PolarHBondContact O-N 2.51Å; D535-D538 VanDerWaalsContact O-N 3.09Å; D535-L539 WeakPolarHBondContact O-CG 3.47Å; D535-L539 PolarHBondContact O-N 2.76Å
536	A	62.7	Low	59.5	Low	66 Å²	66	72.5 Å²	72.5	55%	0.545	39%	0.386	S	S	.	.	H	α-helix	trans	-59.5	-23.6	177.9	0	0	0	0	0	113.8
537	N	65	Low	60.5	Low	103 Å²	103	72.4 Å²	72.4	55%	0.551	39%	0.394	S	S	*	.	H	α-helix	trans	-76.6	-38.1	175	-62.9	-49.9	0	0	0	111.9	D535 L539 K540	D535-N537 PolarHBondContact O-N 2.86Å; D535-N537 VanDerWaalsContact O-N 3.15Å; D535-N537 WeakPolarHBondContact OD1-CB 2.93Å; D535-N537 PolarHBondContact OD1-N 3.07Å; D535-N537 PolarHBondContact OD1-ND2 3.43Å; N537-L539 VanDerWaalsContact C-N 3.34Å; N537-K540 PolarHBondContact O-N 3.03Å
538	D	61.2	Low	61.6	Low	39 Å²	39	73.4 Å²	73.4	21%	0.209	39%	0.393	C	S	.	.	H	α-helix	trans	-69.8	-35.3	175.2	-70.3	-8.9	0	0	0	110.9	I531 N532 D535 K540 L541	I531-D538 HydrophobicContact CG2-CB 3.91Å; N532-D538 WeakPolarHBondContact CB-OD2 2.81Å; N532-D538 PolarHBondContact N-OD2 2.78Å; D535-D538 HydrophobicContact CB-CB 4.13Å; D535-D538 PolarHBondContact O-N 2.51Å; D535-D538 VanDerWaalsContact O-N 3.09Å; D538-K540 VanDerWaalsContact C-N 3.25Å; D538-K540 PolarHBondContact O-N 3.44Å; D538-L541 VanDerWaalsContact O-CB 3.28Å; D538-L541 WeakPolarHBondContact O-CB 3.44Å; D538-L541 PolarHBondContact O-N 2.84Å
539	L	55.3	Low	62.8	Low	20 Å²	20	71.7 Å²	71.7	11%	0.105	38%	0.375	C	S	.	.	H	α-helix	trans	-61.5	-29.6	175.8	-73.6	172.1	0	0	0	113.5	V533 D535 N537 L541 I542 L657	V533-L539 HydrophobicContact CG1-CD2 3.93Å; D535-L539 WeakPolarHBondContact O-CG 3.47Å; D535-L539 PolarHBondContact O-N 2.76Å; N537-L539 VanDerWaalsContact C-N 3.34Å; L539-L541 PolarHBondContact O-N 3.34Å; L539-I542 HydrophobicContact CD2-CD1 3.9Å; L539-I542 PolarHBondContact O-N 3.36Å; L539-L657 HydrophobicContact CB-CD1 4.27Å; L539-L657 HydrophobicContact CD1-CD1 3.59Å; L539-L657 HydrophobicContact CD2-CB 3.72Å; L539-L657 HydrophobicContact CD2-CD1 3.5Å; L539-L657 VanDerWaalsContact CD2-CD1 3.5Å; L539-L657 HydrophobicContact CD2-CD2 4.25Å; L539-L657 HydrophobicContact CD2-CG 3.99Å; L539-L657 HydrophobicContact CG-CD1 3.96Å
540	K	62.6	Low	64	Low	145 Å²	145	67 Å²	67	63%	0.63	35%	0.348	S	S	*	.	H	α-helix	trans	-64.1	-16.4	173.9	-71.9	172.8	-176.9	169.2	0	113.1	N537 D538 P544	N537-K540 PolarHBondContact O-N 3.03Å; D538-K540 VanDerWaalsContact C-N 3.25Å; D538-K540 PolarHBondContact O-N 3.44Å; K540-P544 WeakPolarHBondContact O-CD 3.37Å; K540-P544 WeakPolarHBondContact O-CG 3.22Å
541	L	62.4	Low	65.4	Low	76 Å²	76	65.7 Å²	65.7	40%	0.398	34%	0.342	S	S	.	.	H	α-helix	trans	-84.3	-24.6	178.4	-59	170.9	0	0	0	113	W525 D538 L539 P544	W525-L541 WeakPolarHBondContact CZ3-O 3.41Å; D538-L541 VanDerWaalsContact O-CB 3.28Å; D538-L541 WeakPolarHBondContact O-CB 3.44Å; D538-L541 PolarHBondContact O-N 2.84Å; L539-L541 PolarHBondContact O-N 3.34Å; L541-P544 WeakPolarHBondContact O-CD 3.44Å
542	I	62.7	Low	66.8	Low	10 Å²	10	65.4 Å²	65.4	5%	0.051	34%	0.34	C	S	.	.	H	α-helix	trans	-71.5	-40.5	-177.9	-62.1	176.9	0	0	0	111.2	I531 L539 F545 I546	I531-I542 HydrophobicContact CD1-CG1 4.42Å; I531-I542 HydrophobicContact CG2-CD1 4.39Å; L539-I542 HydrophobicContact CD2-CD1 3.9Å; L539-I542 PolarHBondContact O-N 3.36Å; I542-F545 WeakPolarHBondContact O-CB 3.49Å; I542-F545 PolarHBondContact O-N 3.12Å; I542-I546 HydrophobicContact CG2-CD1 3.76Å; I542-I546 HydrophobicContact CG2-CG1 4.23Å; I542-I546 PolarHBondContact O-N 2.97Å
543	Y	64.7	Low	68.3	Low	80 Å²	80	67 Å²	67	31%	0.314	34%	0.34	S	S	.	.	H	α-helix	trans	-62.4	-49.7	-176.2	173.7	-102.1	0	0	0	113.4	F545 I546 C547	Y543-F545 PolarHBondContact O-N 2.86Å; Y543-I546 PolarHBondContact O-N 3.47Å; Y543-I546 VanDerWaalsContact O-N 3.1Å; Y543-C547 VanDerWaalsContact CE1-SG 3.6Å; Y543-C547 VanDerWaalsContact CE2-SG 3.55Å; Y543-C547 PolarHBondContact O-N 3.1Å; Y543-C547 PolarHBondContact O-SG 3Å; Y543-C547 VanDerWaalsContact O-SG 3.33Å
544	P	67.9	Low	70.1	Confident	45 Å²	45	65.8 Å²	65.8	29%	0.292	33%	0.332	S	S	.	.	H	α-helix	trans	-57.8	-31.9	175.3	-23.5	32.1	0	0	0	113.1	W525 K540 L541 K548	W525-P544 HydrophobicContact CH2-CB 3.4Å; W525-P544 HydrophobicContact CH2-CG 3.96Å; W525-P544 HydrophobicContact CZ2-CB 4.43Å; W525-P544 HydrophobicContact CZ3-CB 3.6Å; W525-P544 HydrophobicContact CZ3-CG 4.2Å; K540-P544 WeakPolarHBondContact O-CD 3.37Å; K540-P544 WeakPolarHBondContact O-CG 3.22Å; L541-P544 WeakPolarHBondContact O-CD 3.44Å; P544-K548 WeakPolarHBondContact O-CG 3.39Å
545	F	67	Low	71.8	Confident	24 Å²	24	59.5 Å²	59.5	11%	0.105	30%	0.299	C	S	.	.	H	α-helix	trans	-67.7	-46.9	174	178.1	-99.4	0	0	0	112	W525 I542 Y543 C547 K548 F549 A664 T668	W525-F545 HydrophobicContact CE3-CB 4.39Å; I542-F545 WeakPolarHBondContact O-CB 3.49Å; I542-F545 PolarHBondContact O-N 3.12Å; Y543-F545 PolarHBondContact O-N 2.86Å; F545-C547 VanDerWaalsContact C-N 3.25Å; F545-C547 PolarHBondContact O-N 3.45Å; F545-K548 VanDerWaalsContact O-CB 3.31Å; F545-K548 WeakPolarHBondContact O-CB 3.46Å; F545-K548 PolarHBondContact O-N 3.05Å; F545-F549 AromaticContact CD1-CE2 3.79Å; F545-F549 HydrophobicContact CD1-CE2 3.79Å; F545-F549 AromaticContact CE1-CE2 3.33Å; F545-F549 HydrophobicContact CE1-CE2 3.33Å; F545-F549 AromaticContact CE1-CZ 3.63Å; F545-F549 HydrophobicContact CE1-CZ 3.63Å; F545-F549 AromaticContact CZ-CE2 3.83Å; F545-F549 HydrophobicContact CZ-CE2 3.83Å; F545-F549 AromaticContact CZ-CZ 3.78Å; F545-F549 HydrophobicContact CZ-CZ 3.78Å; F545-A664 HydrophobicContact CD1-CB 4.31Å; F545-A664 HydrophobicContact CE1-CB 3.72Å; F545-T668 HydrophobicContact CZ-CG2 4.07Å
546	I	68	Low	73.4	Confident	51 Å²	51	56.8 Å²	56.8	26%	0.262	29%	0.285	S	S	.	.	H	α-helix	trans	-59.7	-39.3	176	-66.2	170.6	0	0	0	111	I542 Y543 K548 F549 W660	I542-I546 HydrophobicContact CG2-CD1 3.76Å; I542-I546 HydrophobicContact CG2-CG1 4.23Å; I542-I546 PolarHBondContact O-N 2.97Å; Y543-I546 PolarHBondContact O-N 3.47Å; Y543-I546 VanDerWaalsContact O-N 3.1Å; I546-K548 PolarHBondContact O-N 3.47Å; I546-K548 VanDerWaalsContact O-N 3.09Å; I546-F549 PolarHBondContact O-N 2.86Å; I546-W660 HydrophobicContact CD1-CB 3.77Å; I546-W660 HydrophobicContact CD1-CD2 3.54Å; I546-W660 HydrophobicContact CD1-CE3 3.18Å; I546-W660 HydrophobicContact CD1-CG 3.83Å; I546-W660 HydrophobicContact CD1-CZ3 3.91Å
547	C	69.7	Low	75	Confident	67 Å²	67	53.7 Å²	53.7	45%	0.453	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-11.8	175.8	-68.4	0	0	0	0	114.4	Y543 F545	Y543-C547 VanDerWaalsContact CE1-SG 3.6Å; Y543-C547 VanDerWaalsContact CE2-SG 3.55Å; Y543-C547 PolarHBondContact O-N 3.1Å; Y543-C547 PolarHBondContact O-SG 3Å; Y543-C547 VanDerWaalsContact O-SG 3.33Å; F545-C547 VanDerWaalsContact C-N 3.25Å; F545-C547 PolarHBondContact O-N 3.45Å
548	K	71.3	Confident	76.4	Confident	72 Å²	72	48.8 Å²	48.8	31%	0.313	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-19.4	172.7	-59.7	-62.4	-178	149.3	0	112.9	V517 N518 D519 P544 F545 I546	V517-K548 HydrophobicContact CG1-CB 3.85Å; N518-K548 WeakPolarHBondContact CB-O 3.45Å; N518-K548 PolarHBondContact N-O 3.26Å; D519-K548 HydrophobicContact CB-CD 4.39Å; D519-K548 WeakPolarHBondContact OD2-CE 3.38Å; D519-K548 IonicContact OD2-NZ 3.91Å; D519-K548 PolarHBondContact OD2-NZ 3.25Å; P544-K548 WeakPolarHBondContact O-CG 3.39Å; F545-K548 VanDerWaalsContact O-CB 3.31Å; F545-K548 WeakPolarHBondContact O-CB 3.46Å; F545-K548 PolarHBondContact O-N 3.05Å; I546-K548 PolarHBondContact O-N 3.47Å; I546-K548 VanDerWaalsContact O-N 3.09Å
549	F	76.8	Confident	78.1	Confident	48 Å²	48	46.9 Å²	46.9	21%	0.211	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	135.1	173.5	-66.6	-86.7	0	0	0	110	I515 E516 V517 F545 I546 V667	I515-F549 HydrophobicContact CG2-CB 4.12Å; I515-F549 HydrophobicContact CG2-CD1 3.53Å; I515-F549 HydrophobicContact CG2-CE1 4.43Å; I515-F549 HydrophobicContact CG2-CG 4.23Å; E516-F549 WeakPolarHBondContact O-CA 3.41Å; V517-F549 HydrophobicContact CG2-CD1 3.59Å; V517-F549 HydrophobicContact CG2-CE1 3.35Å; V517-F549 HydrophobicContact CG2-CG 4.42Å; V517-F549 HydrophobicContact CG2-CZ 4.02Å; F545-F549 AromaticContact CD1-CE2 3.79Å; F545-F549 HydrophobicContact CD1-CE2 3.79Å; F545-F549 AromaticContact CE1-CE2 3.33Å; F545-F549 HydrophobicContact CE1-CE2 3.33Å; F545-F549 AromaticContact CE1-CZ 3.63Å; F545-F549 HydrophobicContact CE1-CZ 3.63Å; F545-F549 AromaticContact CZ-CE2 3.83Å; F545-F549 HydrophobicContact CZ-CE2 3.83Å; F545-F549 AromaticContact CZ-CZ 3.78Å; F545-F549 HydrophobicContact CZ-CZ 3.78Å; I546-F549 PolarHBondContact O-N 2.86Å; F549-V667 HydrophobicContact CD1-CG1 4.24Å; F549-V667 HydrophobicContact CE1-CB 4.43Å; F549-V667 HydrophobicContact CE1-CG1 3.5Å; F549-V667 HydrophobicContact CZ-CG1 4.19Å
550	Q	78.1	Confident	80	Confident	69 Å²	69	46 Å²	46	32%	0.322	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	144.7	175.3	58.3	175.5	13.2	0	0	109.8	I515 E516 N518 I552	I515-Q550 WeakPolarHBondContact CA-O 3.03Å; E516-Q550 HydrophobicContact CB-CG 4.34Å; E516-Q550 PolarHBondContact N-O 2.82Å; E516-Q550 WeakPolarHBondContact O-CG 3.5Å; E516-Q550 PolarHBondContact O-N 3.34Å; E516-Q550 PolarHBondContact OE2-NE2 3.19Å; N518-Q550 HydrophobicContact CB-CG 4.13Å; N518-Q550 PolarHBondContact ND2-OE1 3.29Å; Q550-I552 HydrophobicContact CG-CG2 3.94Å
551	Q	82.4	Confident	81.6	Confident	129 Å²	129	39.1 Å²	39.1	60%	0.603	19%	0.188	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.5	106.4	171.5	-174	175	-1.9	0	0	108	T513 E514	T513-Q551 HydrophobicContact CG2-CG 3.73Å; T513-Q551 WeakPolarHBondContact OG1-CG 3.5Å; T513-Q551 PolarHBondContact OG1-NE2 2.85Å; E514-Q551 CarbonylContact O-C 3.57Å; E514-Q551 WeakPolarHBondContact O-CA 3.03Å
552	I	86	Confident	83.3	Confident	30 Å²	30	35.7 Å²	35.7	15%	0.154	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	137.3	178.5	56.8	160.2	0	0	0	110.1	T513 E514 E516 Q550 I554	T513-I552 CarbonylContact C-O 3.47Å; T513-I552 WeakPolarHBondContact CA-O 3.12Å; T513-I552 VanDerWaalsContact CB-O 3.27Å; T513-I552 WeakPolarHBondContact CB-O 3.34Å; E514-I552 HydrophobicContact CB-CG1 4.34Å; E514-I552 PolarHBondContact N-O 3.25Å; E514-I552 WeakPolarHBondContact O-CG1 3.26Å; E514-I552 PolarHBondContact O-N 2.87Å; E516-I552 HydrophobicContact CB-CD1 4.03Å; E516-I552 HydrophobicContact CB-CG1 4.09Å; E516-I552 HydrophobicContact CB-CG2 4.22Å; Q550-I552 HydrophobicContact CG-CG2 3.94Å; I552-I554 HydrophobicContact CD1-CG2 3.94Å; I552-I554 HydrophobicContact CG1-CG2 4.14Å
553	R	91.6	Very high	84.9	Confident	113 Å²	113	35.9 Å²	35.9	43%	0.426	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	124.8	171.6	-170.5	-179.3	178.1	176.7	3	109.4	L335 A511 T556	L335-R553 HydrophobicContact CD1-CB 4.19Å; L335-R553 HydrophobicContact CD1-CG 3.68Å; A511-R553 HydrophobicContact CB-CG 3.89Å; R553-T556 PolarHBondContact NH2-OG1 2.9Å
554	I	93	Very high	86.4	Confident	3 Å²	3	32.4 Å²	32.4	2%	0.015	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-33.6	-179.2	59.7	149.6	0	0	0	113.3	L335 Q338 F347 I512 E514 I552	L335-I554 WeakPolarHBondContact CB-O 3.16Å; L335-I554 WeakPolarHBondContact CG-O 3.4Å; L335-I554 PolarHBondContact N-O 3.28Å; Q338-I554 HydrophobicContact CG-CB 4.16Å; Q338-I554 HydrophobicContact CG-CG2 4.25Å; F347-I554 HydrophobicContact CD2-CD1 4.47Å; I512-I554 HydrophobicContact CB-CG1 4.4Å; I512-I554 HydrophobicContact CG2-CD1 3.89Å; I512-I554 HydrophobicContact CG2-CG1 3.83Å; I512-I554 WeakPolarHBondContact O-CG1 3.46Å; I512-I554 PolarHBondContact O-N 3.34Å; E514-I554 HydrophobicContact CB-CG2 4.15Å; E514-I554 HydrophobicContact CG-CD1 3.74Å; E514-I554 HydrophobicContact CG-CG1 4.22Å; E514-I554 HydrophobicContact CG-CG2 4.21Å; E514-I554 WeakPolarHBondContact OE1-CD1 3.39Å; I552-I554 HydrophobicContact CD1-CG2 3.94Å; I552-I554 HydrophobicContact CG1-CG2 4.14Å
555	A	96	Very high	87.8	Confident	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	179.2	-174.3	0	0	0	0	0	111.2	L333 F347 I512	L333-A555 CarbonylContact O-C 3.53Å; L333-A555 WeakPolarHBondContact O-CA 3.28Å; L333-A555 VanDerWaalsContact O-CB 3.25Å; L333-A555 WeakPolarHBondContact O-CB 3.05Å; F347-A555 HydrophobicContact CD2-CB 4.02Å; F347-A555 HydrophobicContact CE2-CB 3.35Å; F347-A555 HydrophobicContact CZ-CB 4.14Å; I512-A555 HydrophobicContact CB-CB 3.98Å; I512-A555 HydrophobicContact CG2-CB 4.44Å; I512-A555 PolarHBondContact N-O 3.47Å; I512-A555 PolarHBondContact O-N 3.09Å
556	T	96.2	Very high	89.3	Confident	3 Å²	3	30.7 Å²	30.7	2%	0.018	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	147.1	172.8	-162.7	0	0	0	0	110.8	L333 L412 L415 H510 R553	L333-T556 HydrophobicContact CB-CG2 3.98Å; L333-T556 HydrophobicContact CD2-CG2 4.21Å; L333-T556 HydrophobicContact CG-CG2 4.48Å; L333-T556 PolarHBondContact N-O 3.12Å; L333-T556 PolarHBondContact O-N 3.07Å; L412-T556 HydrophobicContact CD2-CG2 4.3Å; L415-T556 HydrophobicContact CD2-CG2 4.08Å; H510-T556 VanDerWaalsContact O-CA 3.28Å; H510-T556 WeakPolarHBondContact O-CA 3.43Å; H510-T556 PolarHBondContact O-OG1 2.72Å; R553-T556 PolarHBondContact NH2-OG1 2.9Å
557	G	96.3	Very high	90.6	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	176.7	-173.6	0	0	0	0	0	111.3	A509 H510	A509-G557 CarbonylContact C-O 3.53Å; A509-G557 WeakPolarHBondContact CA-O 3.37Å; H510-G557 PolarHBondContact N-O 2.68Å; H510-G557 PolarHBondContact O-N 3.46Å; H510-G557 VanDerWaalsContact O-N 3.13Å
558	L	95.7	Very high	91.9	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	134.2	-178.4	-172.3	66.3	0	0	0	110.3	G308 T443 L446 L505 N508	G308-L558 PolarHBondContact N-O 3.18Å; T443-L558 HydrophobicContact CG2-CD2 3.36Å; T443-L558 WeakPolarHBondContact OG1-CD2 3.45Å; L446-L558 HydrophobicContact CD1-CD1 3.75Å; L446-L558 HydrophobicContact CD1-CD2 3.83Å; L446-L558 HydrophobicContact CD1-CG 4.08Å; L505-L558 HydrophobicContact CD2-CB 4.33Å; L505-L558 HydrophobicContact CD2-CD1 4.34Å; L505-L558 HydrophobicContact CD2-CD2 4.19Å; N508-L558 HydrophobicContact CB-CD1 3.7Å; N508-L558 VanDerWaalsContact O-CD1 3.28Å; N508-L558 WeakPolarHBondContact O-CD1 3.42Å
559	F	96.5	Very high	93.1	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.106	C	C	.	.			trans	-128.4	88.6	-179.5	-60.4	-89.5	0	0	0	107.4	E305 A307 L332 H510 I512 C561 V562 S563 F577 L582	E305-F559 HydrophobicContact CB-CD1 4.33Å; E305-F559 HydrophobicContact CG-CB 4.36Å; E305-F559 HydrophobicContact CG-CD1 4.31Å; E305-F559 WeakPolarHBondContact O-CD1 3.46Å; E305-F559 WeakPolarHBondContact O-CE1 3.39Å; E305-F559 WeakPolarHBondContact OE2-CB 3.49Å; A307-F559 HydrophobicContact CB-CE1 4.04Å; A307-F559 HydrophobicContact CB-CZ 4.13Å; L332-F559 HydrophobicContact CD2-CZ 4.22Å; H510-F559 HydrophobicContact CB-CD2 3.9Å; H510-F559 HydrophobicContact CB-CE2 4.09Å; H510-F559 AromaticContact CG-CD2 3.85Å; I512-F559 HydrophobicContact CD1-CE2 4.2Å; F559-C561 PolarHBondContact O-N 3.4Å; F559-V562 HydrophobicContact CB-CB 4.12Å; F559-V562 PolarHBondContact O-N 3.45Å; F559-S563 WeakPolarHBondContact O-CB 3.43Å; F559-S563 PolarHBondContact O-N 2.83Å; F559-S563 PolarHBondContact O-OG 3.45Å; F559-F577 AromaticContact CE2-CE1 3.79Å; F559-F577 HydrophobicContact CE2-CE1 3.79Å; F559-F577 HydrophobicContact CZ-CD1 4.23Å; F559-F577 AromaticContact CZ-CE1 3.88Å; F559-F577 HydrophobicContact CZ-CE1 3.88Å; F559-L582 HydrophobicContact CB-CD1 4.14Å; F559-L582 HydrophobicContact CD1-CB 3.59Å; F559-L582 HydrophobicContact CD1-CD1 4.33Å; F559-L582 HydrophobicContact CD2-CB 4.35Å; F559-L582 HydrophobicContact CD2-CD1 3.79Å; F559-L582 HydrophobicContact CE1-CB 3.62Å; F559-L582 HydrophobicContact CE2-CB 4.4Å; F559-L582 HydrophobicContact CE2-CD1 4.28Å; F559-L582 HydrophobicContact CG-CB 3.96Å; F559-L582 HydrophobicContact CG-CD1 3.82Å; F559-L582 HydrophobicContact CZ-CB 4.05Å
560	P	95.4	Very high	93.9	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-44.9	-165.9	-30.1	36.5	0	0	0	114.9	E305 F441 S563	E305-P560 WeakPolarHBondContact OE1-CD 3.39Å; F441-P560 HydrophobicContact CD1-CB 3.7Å; F441-P560 HydrophobicContact CE1-CB 3.94Å; F441-P560 WeakPolarHBondContact CE1-O 3.24Å; P560-S563 WeakPolarHBondContact O-CB 3.3Å; P560-S563 PolarHBondContact O-N 2.84Å
561	C	96.3	Very high	94.8	Very high	2 Å²	2	19.1 Å²	19.1	1%	0.014	9%	0.091	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-42	-178	-54.7	0	0	0	0	111.5	L274 E305 F559 S563 L564	L274-C561 HydrophobicContact CD1-CB 4.44Å; L274-C561 HydrophobicContact CD2-CB 4.39Å; L274-C561 HydrophobicContact CG-CB 3.96Å; E305-C561 VanDerWaalsContact CD-N 3.34Å; E305-C561 WeakPolarHBondContact OE1-CB 3.24Å; E305-C561 PolarHBondContact OE1-N 3.07Å; E305-C561 PolarHBondContact OE1-SG 2.83Å; E305-C561 WeakPolarHBondContact OE2-CB 3.25Å; E305-C561 PolarHBondContact OE2-N 2.77Å; F559-C561 PolarHBondContact O-N 3.4Å; C561-S563 PolarHBondContact O-N 3.01Å; C561-L564 VanDerWaalsContact O-CB 3.3Å; C561-L564 WeakPolarHBondContact O-CB 3.45Å; C561-L564 PolarHBondContact O-N 2.82Å; C561-L564 VanDerWaalsContact O-N 3.13Å
562	V	97.3	Very high	95.5	Very high	4 Å²	4	13.9 Å²	13.9	2%	0.024	7%	0.068	C	C	.	.	G	3₁₀ helix	trans	-66.1	-28.4	177.2	176.2	0	0	0	0	111.4	A303 E305 F559 L564 L565 L582	A303-V562 HydrophobicContact CB-CG2 3.9Å; E305-V562 HydrophobicContact CB-CG2 4.19Å; E305-V562 WeakPolarHBondContact OE2-CG2 3.16Å; E305-V562 PolarHBondContact OE2-N 2.88Å; F559-V562 HydrophobicContact CB-CB 4.12Å; F559-V562 PolarHBondContact O-N 3.45Å; V562-L564 PolarHBondContact O-N 3.21Å; V562-L564 VanDerWaalsContact O-N 3.08Å; V562-L565 HydrophobicContact CB-CD1 4.38Å; V562-L565 HydrophobicContact CG1-CD1 4.16Å; V562-L565 WeakPolarHBondContact O-CD1 3.23Å; V562-L565 PolarHBondContact O-N 3.32Å; V562-L565 VanDerWaalsContact O-N 3.1Å; V562-L582 HydrophobicContact CB-CD1 4.31Å; V562-L582 HydrophobicContact CB-CD2 4.46Å; V562-L582 HydrophobicContact CG1-CD1 3.82Å; V562-L582 HydrophobicContact CG1-CD2 3.98Å; V562-L582 HydrophobicContact CG2-CD1 4.41Å; V562-L582 HydrophobicContact CG2-CD2 3.83Å
563	S	96.8	Very high	96.1	Very high	14 Å²	14	12.5 Å²	12.5	10%	0.098	6%	0.061	C	C	.	.	G	3₁₀ helix	trans	-65.3	-9.4	174.7	-53.7	0	0	0	0	113.7	N508 H510 F559 P560 C561 L565	N508-S563 PolarHBondContact O-OG 3.18Å; N508-S563 WeakPolarHBondContact OD1-CB 3.25Å; H510-S563 PolarHBondContact CE1-OG 2.87Å; F559-S563 WeakPolarHBondContact O-CB 3.43Å; F559-S563 PolarHBondContact O-N 2.83Å; F559-S563 PolarHBondContact O-OG 3.45Å; P560-S563 WeakPolarHBondContact O-CB 3.3Å; P560-S563 PolarHBondContact O-N 2.84Å; C561-S563 PolarHBondContact O-N 3.01Å; S563-L565 VanDerWaalsContact C-N 3.34Å
564	L	96.9	Very high	96.3	Very high	6 Å²	6	8.9 Å²	8.9	3%	0.031	6%	0.055	C	C	.	.	G	3₁₀ helix	trans	-82.5	-9	174.3	-60.5	173.1	0	0	0	113.5	Y271 I280 R288 V290 F441 C561 V562	Y271-L564 HydrophobicContact CD1-CD1 3.57Å; Y271-L564 HydrophobicContact CE1-CD1 3.54Å; I280-L564 HydrophobicContact CD1-CB 4.22Å; I280-L564 HydrophobicContact CD1-CD1 3.7Å; I280-L564 HydrophobicContact CG1-CD1 3.98Å; R288-L564 HydrophobicContact CB-CD2 4.3Å; V290-L564 HydrophobicContact CG2-CB 4.12Å; F441-L564 HydrophobicContact CD1-CD1 4.34Å; F441-L564 HydrophobicContact CE1-CD1 4.05Å; F441-L564 HydrophobicContact CE1-CD2 4.12Å; F441-L564 HydrophobicContact CE1-CG 4.12Å; F441-L564 HydrophobicContact CZ-CD1 4.18Å; F441-L564 HydrophobicContact CZ-CD2 3.82Å; F441-L564 HydrophobicContact CZ-CG 4.29Å; C561-L564 VanDerWaalsContact O-CB 3.3Å; C561-L564 WeakPolarHBondContact O-CB 3.45Å; C561-L564 PolarHBondContact O-N 2.82Å; C561-L564 VanDerWaalsContact O-N 3.13Å; V562-L564 PolarHBondContact O-N 3.21Å; V562-L564 VanDerWaalsContact O-N 3.08Å
565	L	97.6	Very high	96.4	Very high	2 Å²	2	10.8 Å²	10.8	1%	0.01	6%	0.064	C	C	.	.	S	Bend	trans	-75.5	128.8	176.3	-75.4	92.7	0	0	0	110.4	L274 V290 V562 S563 L584 V596 H598 Y600	L274-L565 HydrophobicContact CD2-CD1 4.18Å; V290-L565 HydrophobicContact CB-CG 4.45Å; V290-L565 HydrophobicContact CG2-CD1 4.19Å; V290-L565 HydrophobicContact CG2-CG 3.95Å; V562-L565 HydrophobicContact CB-CD1 4.38Å; V562-L565 HydrophobicContact CG1-CD1 4.16Å; V562-L565 WeakPolarHBondContact O-CD1 3.23Å; V562-L565 PolarHBondContact O-N 3.32Å; V562-L565 VanDerWaalsContact O-N 3.1Å; S563-L565 VanDerWaalsContact C-N 3.34Å; L565-L584 HydrophobicContact CD1-CD2 4.2Å; L565-L584 HydrophobicContact CD2-CD2 3.45Å; L565-L584 VanDerWaalsContact CD2-CD2 3.45Å; L565-V596 HydrophobicContact CD2-CB 4.25Å; L565-V596 HydrophobicContact CD2-CG1 3.6Å; L565-H598 HydrophobicContact CB-CB 4.03Å; L565-H598 HydrophobicContact CD2-CB 4.14Å; L565-Y600 WeakPolarHBondContact O-CE1 3.46Å; L565-Y600 PolarHBondContact O-OH 3.3Å
566	N	96.6	Very high	96.3	Very high	32 Å²	32	13.4 Å²	13.4	17%	0.171	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75	159	174.3	-82.4	-22.3	0	0	0	112.4	H289 E595 F597 H598 Y600	H289-N566 WeakPolarHBondContact CB-ND2 3.42Å; N566-E595 VanDerWaalsContact CB-OE1 3.25Å; N566-E595 WeakPolarHBondContact CB-OE1 3.28Å; N566-E595 PolarHBondContact ND2-OE1 3.33Å; N566-F597 HydrophobicContact CB-CD1 4.25Å; N566-F597 HydrophobicContact CB-CE1 4.37Å; N566-F597 WeakPolarHBondContact O-CA 3.31Å; N566-H598 PolarHBondContact O-N 3.1Å; N566-Y600 WeakPolarHBondContact CA-OH 3.01Å
567	H	96.2	Very high	96.1	Very high	11 Å²	11	14.8 Å²	14.8	5%	0.051	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	139	176.6	-176.7	63.3	0	0	0	113.3	C569 H598 Y600 L617 F623	H567-C569 PolarHBondContact NE2-N 3.11Å; H567-C569 PolarHBondContact NE2-SG 3.39Å; H567-H598 CarbonylContact C-O 3.43Å; H567-H598 WeakPolarHBondContact CA-O 2.97Å; H567-Y600 HydrophobicContact CB-CD1 4.07Å; H567-Y600 HydrophobicContact CB-CD2 3.71Å; H567-Y600 HydrophobicContact CB-CE1 4.1Å; H567-Y600 HydrophobicContact CB-CE2 3.75Å; H567-Y600 HydrophobicContact CB-CG 3.88Å; H567-Y600 PolarHBondContact CE1-N 3.49Å; H567-Y600 AromaticContact ND1-CG 3.77Å; H567-Y600 PolarHBondContact ND1-N 3.17Å; H567-L617 WeakPolarHBondContact CD2-CD1 3.11Å; H567-L617 WeakPolarHBondContact NE2-CD1 3.4Å; H567-F623 HydrophobicContact CB-CE1 4.3Å; H567-F623 HydrophobicContact CB-CE2 4.07Å; H567-F623 HydrophobicContact CB-CZ 3.43Å; H567-F623 VanDerWaalsContact CB-CZ 3.43Å; H567-F623 AromaticContact CD2-CZ 3.89Å; H567-F623 AromaticContact CG-CZ 3.88Å
568	S	96.7	Very high	95.6	Very high	11 Å²	11	17.8 Å²	17.8	8%	0.077	10%	0.097	C	C	.	.			trans	-131.3	139.7	150.1	174.4	0	0	0	0	109	D570 H598	S568-D570 PolarHBondContact O-N 3.39Å; S568-D570 PolarHBondContact OG-N 3.09Å; S568-D570 VanDerWaalsContact OG-N 3.12Å; S568-D570 PolarHBondContact OG-O 3.05Å; S568-H598 PolarHBondContact N-O 3.1Å
569	C	95.9	Very high	95.1	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	S	Bend	trans	-64.5	-18.3	172.2	-54.2	0	0	0	0	112.3	H567 H603 Y604 R613 C630	H567-C569 PolarHBondContact NE2-N 3.11Å; H567-C569 PolarHBondContact NE2-SG 3.39Å; C569-H603 WeakPolarHBondContact O-CA 3.33Å; C569-H603 PolarHBondContact O-CD2 3.41Å; C569-H603 VanDerWaalsContact O-CD2 3.23Å; C569-Y604 WeakPolarHBondContact O-CD1 3.44Å; C569-Y604 PolarHBondContact O-N 3.35Å; C569-R613 PolarHBondContact SG-NE 3.5Å; C569-R613 VanDerWaalsContact SG-NE 3.35Å; C569-C630 PolarHBondContact SG-SG 3.36Å
570	D	95	Very high	94.8	Very high	34 Å²	34	21 Å²	21	18%	0.182	11%	0.113	C	C	.	.	S	Bend	trans	-127.3	81.3	171.5	-179.2	36.6	0	0	0	108.5	S568 K588 Y604	S568-D570 PolarHBondContact O-N 3.39Å; S568-D570 PolarHBondContact OG-N 3.09Å; S568-D570 VanDerWaalsContact OG-N 3.12Å; S568-D570 PolarHBondContact OG-O 3.05Å; D570-K588 IonicContact OD1-NZ 3.95Å; D570-K588 PolarHBondContact OD1-NZ 3.39Å; D570-K588 IonicContact OD2-NZ 2.96Å; D570-K588 PolarHBondContact OD2-NZ 3.18Å; D570-Y604 HydrophobicContact CB-CD1 3.79Å; D570-Y604 HydrophobicContact CB-CE1 3.97Å; D570-Y604 WeakPolarHBondContact OD1-CE1 3.19Å
571	P	96.9	Very high	94.7	Very high	7 Å²	7	21.1 Å²	21.1	5%	0.045	11%	0.113	C	C	.	.			trans	-72.4	166.1	-173.5	33.7	-38.5	0	0	0	111.9	T573 K588 F597 C599	P571-T573 WeakPolarHBondContact CG-O 3.39Å; P571-K588 PolarHBondContact O-NZ 2.92Å; P571-F597 HydrophobicContact CB-CB 4.46Å; P571-F597 WeakPolarHBondContact CB-O 3.5Å; P571-C599 HydrophobicContact CB-CB 4.46Å; P571-C599 HydrophobicContact CG-CB 3.91Å
572	N	97.8	Very high	94.7	Very high	20 Å²	20	21 Å²	21	11%	0.107	11%	0.112	C	C	.	.	S	Bend	trans	-99.2	5.5	168.2	56.6	14.6	0	0	0	112.2	L587 K588 I590 E595 F597	N572-L587 PolarHBondContact O-N 2.99Å; N572-K588 HydrophobicContact CB-CB 4.17Å; N572-K588 HydrophobicContact CB-CD 4.5Å; N572-I590 HydrophobicContact CB-CD1 4.12Å; N572-I590 HydrophobicContact CB-CG1 4.06Å; N572-E595 PolarHBondContact ND2-O 2.6Å; N572-F597 PolarHBondContact OD1-N 3.17Å; N572-F597 PolarHBondContact OD1-O 3.32Å; N572-F597 VanDerWaalsContact OD1-O 3.1Å
573	T	98.2	Very high	94.6	Very high	1 Å²	1	21 Å²	21	1%	0.006	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	156.2	176.6	68.9	0	0	0	0	112.6	I302 P571 L584 R585 I590 V596 F597 H598	I302-T573 HydrophobicContact CD1-CG2 3.61Å; P571-T573 WeakPolarHBondContact CG-O 3.39Å; T573-L584 HydrophobicContact CG2-CD2 4.2Å; T573-L584 HydrophobicContact CG2-CG 4.31Å; T573-R585 CarbonylContact C-O 3.57Å; T573-R585 WeakPolarHBondContact CA-O 3.28Å; T573-R585 WeakPolarHBondContact CB-O 3.39Å; T573-I590 HydrophobicContact CG2-CD1 4.17Å; T573-V596 HydrophobicContact CG2-CG1 3.48Å; T573-V596 VanDerWaalsContact CG2-CG1 3.48Å; T573-F597 PolarHBondContact N-O 3.17Å; T573-F597 PolarHBondContact OG1-O 3.44Å; T573-H598 PolarHBondContact OG1-ND1 3.47Å
574	A	95.5	Very high	94.7	Very high	37 Å²	37	20.3 Å²	20.3	31%	0.306	11%	0.107	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	152.9	164.5	0	0	0	0	0	109.4	R585 L587	A574-R585 PolarHBondContact N-O 3.29Å; A574-R585 PolarHBondContact O-N 2.98Å; A574-L587 HydrophobicContact CB-CD1 3.74Å; A574-L587 HydrophobicContact CB-CD2 4.02Å; A574-L587 HydrophobicContact CB-CG 3.99Å
575	H	94.8	Very high	94.7	Very high	43 Å²	43	24.7 Å²	24.7	20%	0.199	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	153.3	173.5	69.2	-101.2	0	0	0	111.4	F577 L582 I583 L584 H598	H575-F577 AromaticContact CD2-CE2 3.45Å; H575-F577 VanDerWaalsContact CD2-CE2 3.45Å; H575-F577 WeakPolarHBondContact CD2-CE2 3.47Å; H575-F577 AromaticContact CD2-CZ 3.49Å; H575-F577 VanDerWaalsContact CD2-CZ 3.49Å; H575-F577 WeakPolarHBondContact CD2-CZ 3.39Å; H575-F577 AromaticContact NE2-CE2 3.4Å; H575-F577 WeakPolarHBondContact NE2-CE2 3.32Å; H575-F577 AromaticContact NE2-CZ 3.41Å; H575-F577 WeakPolarHBondContact NE2-CZ 3.25Å; H575-L582 HydrophobicContact CB-CD2 3.61Å; H575-L582 HydrophobicContact CB-CG 4Å; H575-I583 CarbonylContact C-O 3.42Å; H575-I583 WeakPolarHBondContact CA-O 3.31Å; H575-I583 WeakPolarHBondContact CB-O 3.31Å; H575-L584 HydrophobicContact CB-CD1 3.97Å; H575-H598 AromaticContact CE1-CE1 3.77Å; H575-H598 AromaticContact CE1-NE2 3.19Å; H575-H598 PolarHBondContact CE1-NE2 2.68Å; H575-H598 AromaticContact ND1-CD2 3.81Å; H575-H598 AromaticContact ND1-CE1 3.07Å; H575-H598 PolarHBondContact ND1-CE1 3.14Å; H575-H598 AromaticContact ND1-NE2 2.83Å; H575-H598 PolarHBondContact ND1-NE2 3.36Å
576	N	92.8	Very high	94.8	Very high	55 Å²	55	24.7 Å²	24.7	29%	0.294	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	164.2	163.8	70.8	-88.8	0	0	0	108.8	I583 R585	N576-I583 PolarHBondContact N-O 3.33Å; N576-I583 PolarHBondContact O-N 3.03Å; N576-R585 PolarHBondContact OD1-NE 2.97Å
577	F	92	Very high	94.8	Very high	32 Å²	32	27.5 Å²	27.5	14%	0.14	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	139.6	174	-59.9	-80.7	0	0	0	109.3	A511 I512 F559 H575 F581 L582	A511-F577 VanDerWaalsContact O-CE2 3.25Å; A511-F577 WeakPolarHBondContact O-CE2 3.37Å; A511-F577 WeakPolarHBondContact O-CZ 3.43Å; I512-F577 HydrophobicContact CB-CD2 4.46Å; I512-F577 HydrophobicContact CB-CE2 4.46Å; I512-F577 HydrophobicContact CG1-CD1 3.96Å; I512-F577 HydrophobicContact CG1-CE1 3.81Å; I512-F577 HydrophobicContact CG1-CG 4.38Å; I512-F577 HydrophobicContact CG1-CZ 4.12Å; I512-F577 HydrophobicContact CG2-CB 4.3Å; I512-F577 HydrophobicContact CG2-CD1 4.33Å; I512-F577 HydrophobicContact CG2-CD2 4.13Å; I512-F577 HydrophobicContact CG2-CG 3.97Å; F559-F577 AromaticContact CE2-CE1 3.79Å; F559-F577 HydrophobicContact CE2-CE1 3.79Å; F559-F577 HydrophobicContact CZ-CD1 4.23Å; F559-F577 AromaticContact CZ-CE1 3.88Å; F559-F577 HydrophobicContact CZ-CE1 3.88Å; H575-F577 AromaticContact CD2-CE2 3.45Å; H575-F577 VanDerWaalsContact CD2-CE2 3.45Å; H575-F577 WeakPolarHBondContact CD2-CE2 3.47Å; H575-F577 AromaticContact CD2-CZ 3.49Å; H575-F577 VanDerWaalsContact CD2-CZ 3.49Å; H575-F577 WeakPolarHBondContact CD2-CZ 3.39Å; H575-F577 AromaticContact NE2-CE2 3.4Å; H575-F577 WeakPolarHBondContact NE2-CE2 3.32Å; H575-F577 AromaticContact NE2-CZ 3.41Å; H575-F577 WeakPolarHBondContact NE2-CZ 3.25Å; F577-F581 VanDerWaalsContact CA-O 3.32Å; F577-F581 WeakPolarHBondContact CA-O 3Å; F577-L582 HydrophobicContact CD1-CB 4.24Å; F577-L582 HydrophobicContact CE1-CB 4Å; F577-L582 HydrophobicContact CE1-CD1 3.99Å; F577-L582 HydrophobicContact CE1-CG 3.98Å; F577-L582 HydrophobicContact CZ-CD1 4.37Å
578	E	87.5	Confident	94.8	Very high	62 Å²	62	30.4 Å²	30.4	29%	0.29	15%	0.151	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	120.7	168.5	-175	60.9	-122	0	0	106.8	S580 F581 I583	E578-S580 PolarHBondContact O-N 3.29Å; E578-S580 VanDerWaalsContact O-N 3.1Å; E578-F581 PolarHBondContact N-O 2.81Å; E578-F581 WeakPolarHBondContact O-CB 3.32Å; E578-F581 PolarHBondContact O-N 2.8Å; E578-I583 HydrophobicContact CB-CD1 3.7Å
579	E	84.5	Confident	94.9	Very high	67 Å²	67	33.9 Å²	33.9	31%	0.313	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.6	-115.5	-169.8	-55.2	-174.8	151	0	0	112	N327 F329 N375	N327-E579 VanDerWaalsContact CG-OE2 3.3Å; N327-E579 PolarHBondContact ND2-OE2 3.04Å; N327-E579 WeakPolarHBondContact OD1-CB 3.4Å; N327-E579 PolarHBondContact OD1-OE2 2.69Å; N327-E579 VanDerWaalsContact OD1-OE2 3.11Å; F329-E579 HydrophobicContact CE2-CB 4.33Å; F329-E579 HydrophobicContact CZ-CB 3.84Å; N375-E579 PolarHBondContact ND2-OE1 2.92Å
580	S	89.5	Confident	95	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.007	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.3	8.9	177.1	64.7	0	0	0	0	114.2	A307 N327 T328 E578	A307-S580 PolarHBondContact N-O 2.81Å; N327-S580 VanDerWaalsContact CA-OG 3.28Å; N327-S580 WeakPolarHBondContact CA-OG 3.36Å; N327-S580 PolarHBondContact OD1-N 2.97Å; N327-S580 PolarHBondContact OD1-OG 2.7Å; T328-S580 PolarHBondContact N-OG 2.86Å; T328-S580 PolarHBondContact OG1-OG 2.52Å; E578-S580 PolarHBondContact O-N 3.29Å; E578-S580 VanDerWaalsContact O-N 3.1Å
581	F	93.3	Very high	95.2	Very high	2 Å²	2	37.4 Å²	37.4	1%	0.009	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	141.5	-176.4	-71.9	-102.3	0	0	0	111.9	I260 V304 E305 P306 W310 R326 F577 E578	I260-F581 HydrophobicContact CD1-CD1 4.43Å; I260-F581 HydrophobicContact CD1-CD2 3.47Å; I260-F581 VanDerWaalsContact CD1-CD2 3.47Å; I260-F581 HydrophobicContact CD1-CE1 4.32Å; I260-F581 HydrophobicContact CD1-CE2 3.36Å; I260-F581 HydrophobicContact CD1-CG 4.03Å; I260-F581 HydrophobicContact CD1-CZ 3.81Å; I260-F581 HydrophobicContact CG1-CD2 4.35Å; I260-F581 HydrophobicContact CG2-CD1 4.13Å; I260-F581 HydrophobicContact CG2-CE1 4.46Å; I260-F581 HydrophobicContact CG2-CG 4.29Å; V304-F581 HydrophobicContact CG1-CD1 3.9Å; E305-F581 WeakPolarHBondContact O-CA 3.38Å; P306-F581 HydrophobicContact CB-CD1 4.05Å; P306-F581 HydrophobicContact CB-CE1 3.7Å; P306-F581 HydrophobicContact CB-CE2 4.42Å; P306-F581 HydrophobicContact CB-CZ 3.89Å; P306-F581 HydrophobicContact CG-CE1 4.11Å; W310-F581 HydrophobicContact CZ2-CE1 4.35Å; R326-F581 HydrophobicContact CB-CE2 4.42Å; R326-F581 HydrophobicContact CB-CZ 4.16Å; F577-F581 VanDerWaalsContact CA-O 3.32Å; F577-F581 WeakPolarHBondContact CA-O 3Å; E578-F581 PolarHBondContact N-O 2.81Å; E578-F581 WeakPolarHBondContact O-CB 3.32Å; E578-F581 PolarHBondContact O-N 2.8Å
582	L	96	Very high	95.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.4	163.6	-172.9	163.6	0	0	0	108.6	V304 E305 F559 V562 H575 F577 L584	V304-L582 WeakPolarHBondContact CA-O 3.31Å; E305-L582 PolarHBondContact N-O 3.04Å; E305-L582 PolarHBondContact O-N 3.25Å; F559-L582 HydrophobicContact CB-CD1 4.14Å; F559-L582 HydrophobicContact CD1-CB 3.59Å; F559-L582 HydrophobicContact CD1-CD1 4.33Å; F559-L582 HydrophobicContact CD2-CB 4.35Å; F559-L582 HydrophobicContact CD2-CD1 3.79Å; F559-L582 HydrophobicContact CE1-CB 3.62Å; F559-L582 HydrophobicContact CE2-CB 4.4Å; F559-L582 HydrophobicContact CE2-CD1 4.28Å; F559-L582 HydrophobicContact CG-CB 3.96Å; F559-L582 HydrophobicContact CG-CD1 3.82Å; F559-L582 HydrophobicContact CZ-CB 4.05Å; V562-L582 HydrophobicContact CB-CD1 4.31Å; V562-L582 HydrophobicContact CB-CD2 4.46Å; V562-L582 HydrophobicContact CG1-CD1 3.82Å; V562-L582 HydrophobicContact CG1-CD2 3.98Å; V562-L582 HydrophobicContact CG2-CD1 4.41Å; V562-L582 HydrophobicContact CG2-CD2 3.83Å; H575-L582 HydrophobicContact CB-CD2 3.61Å; H575-L582 HydrophobicContact CB-CG 4Å; F577-L582 HydrophobicContact CD1-CB 4.24Å; F577-L582 HydrophobicContact CE1-CB 4Å; F577-L582 HydrophobicContact CE1-CD1 3.99Å; F577-L582 HydrophobicContact CE1-CG 3.98Å; F577-L582 HydrophobicContact CZ-CD1 4.37Å; L582-L584 HydrophobicContact CD2-CB 4.2Å
583	I	96.5	Very high	95.3	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	115.2	175.9	-58.8	167.9	0	0	0	108.4	P261 I301 A303 H575 N576 E578 R585	P261-I583 HydrophobicContact CG-CD1 3.9Å; P261-I583 HydrophobicContact CG-CG1 4.25Å; P261-I583 HydrophobicContact CG-CG2 3.92Å; I301-I583 HydrophobicContact CD1-CG2 4.01Å; I301-I583 HydrophobicContact CG2-CG2 4.19Å; A303-I583 WeakPolarHBondContact O-CA 3.47Å; H575-I583 CarbonylContact C-O 3.42Å; H575-I583 WeakPolarHBondContact CA-O 3.31Å; H575-I583 WeakPolarHBondContact CB-O 3.31Å; N576-I583 PolarHBondContact N-O 3.33Å; N576-I583 PolarHBondContact O-N 3.03Å; E578-I583 HydrophobicContact CB-CD1 3.7Å; I583-R585 HydrophobicContact CG2-CG 4.27Å
584	L	98.2	Very high	95.2	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	122.2	177.8	-170.2	76.4	0	0	0	110.2	I302 A303 L565 T573 H575 L582	I302-L584 HydrophobicContact CB-CD2 4.16Å; I302-L584 HydrophobicContact CG2-CD2 4.19Å; I302-L584 PolarHBondContact N-O 2.64Å; A303-L584 HydrophobicContact CB-CB 3.57Å; A303-L584 HydrophobicContact CB-CD2 4.07Å; A303-L584 HydrophobicContact CB-CG 4.48Å; A303-L584 PolarHBondContact N-O 3.5Å; A303-L584 PolarHBondContact O-N 2.89Å; L565-L584 HydrophobicContact CD1-CD2 4.2Å; L565-L584 HydrophobicContact CD2-CD2 3.45Å; L565-L584 VanDerWaalsContact CD2-CD2 3.45Å; T573-L584 HydrophobicContact CG2-CD2 4.2Å; T573-L584 HydrophobicContact CG2-CG 4.31Å; H575-L584 HydrophobicContact CB-CD1 3.97Å; L582-L584 HydrophobicContact CD2-CB 4.2Å
585	R	98.2	Very high	95.3	Very high	98 Å²	98	43.8 Å²	43.8	37%	0.37	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	141.6	-179.4	-61.3	-175.2	-173.2	-101.9	-0.2	111.5	D300 I301 T573 A574 N576 I583	D300-R585 WeakPolarHBondContact O-CA 3.49Å; I301-R585 HydrophobicContact CD1-CG 3.75Å; I301-R585 VanDerWaalsContact CD1-NH1 3.31Å; T573-R585 CarbonylContact C-O 3.57Å; T573-R585 WeakPolarHBondContact CA-O 3.28Å; T573-R585 WeakPolarHBondContact CB-O 3.39Å; A574-R585 PolarHBondContact N-O 3.29Å; A574-R585 PolarHBondContact O-N 2.98Å; N576-R585 PolarHBondContact OD1-NE 2.97Å; I583-R585 HydrophobicContact CG2-CG 4.27Å
586	C	98.4	Very high	95.5	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.014	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	129.3	170.8	-167.8	0	0	0	0	110.4	F296 E297 P298 G299 D300 I302 K588	F296-C586 HydrophobicContact CB-CB 4.34Å; E297-C586 VanDerWaalsContact O-CB 3.24Å; E297-C586 WeakPolarHBondContact O-CB 3.24Å; E297-C586 PolarHBondContact O-SG 3.32Å; E297-C586 VanDerWaalsContact O-SG 3.34Å; P298-C586 WeakPolarHBondContact CA-O 3.43Å; G299-C586 PolarHBondContact N-O 2.88Å; D300-C586 HydrophobicContact CB-CB 4.1Å; D300-C586 WeakPolarHBondContact O-CB 3.25Å; D300-C586 PolarHBondContact O-N 2.95Å; I302-C586 HydrophobicContact CD1-CB 3.83Å; I302-C586 HydrophobicContact CG1-CB 4.33Å; C586-K588 PolarHBondContact SG-O 2.82Å
587	L	96.8	Very high	95.7	Very high	91 Å²	91	41.8 Å²	41.8	48%	0.476	23%	0.226	S	C	.	.			trans	-103.1	-29.1	176.3	-69	-177.6	0	0	0	113.1	N572 A574	N572-L587 PolarHBondContact O-N 2.99Å; A574-L587 HydrophobicContact CB-CD1 3.74Å; A574-L587 HydrophobicContact CB-CD2 4.02Å; A574-L587 HydrophobicContact CB-CG 3.99Å
588	K	96.7	Very high	95.9	Very high	73 Å²	73	41 Å²	41	32%	0.317	22%	0.223	S	C	.	.	S	Bend	trans	-136.3	151	-174.7	-61.9	174.1	-175.1	157.5	0	108.5	D570 P571 N572 C586 I590	D570-K588 IonicContact OD1-NZ 3.95Å; D570-K588 PolarHBondContact OD1-NZ 3.39Å; D570-K588 IonicContact OD2-NZ 2.96Å; D570-K588 PolarHBondContact OD2-NZ 3.18Å; P571-K588 PolarHBondContact O-NZ 2.92Å; N572-K588 HydrophobicContact CB-CB 4.17Å; N572-K588 HydrophobicContact CB-CD 4.5Å; C586-K588 PolarHBondContact SG-O 2.82Å; K588-I590 WeakPolarHBondContact O-CG1 3.43Å; K588-I590 PolarHBondContact O-N 2.87Å
589	P	98.2	Very high	96.3	Very high	83 Å²	83	39 Å²	39	54%	0.539	22%	0.216	S	C	.	.			trans	-51.9	125.3	175.3	-26.1	34.7	0	0	0	111.9	F296 P298	F296-P589 WeakPolarHBondContact O-CA 3.01Å; P298-P589 HydrophobicContact CG-CG 4.42Å
590	I	98.5	Very high	96.7	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-110.3	116	175.9	-57.2	-179.4	0	0	0	107.6	A292 S295 F296 I302 N572 T573 K588 T594 V596	A292-I590 HydrophobicContact CB-CG2 3.52Å; S295-I590 VanDerWaalsContact CA-O 3.31Å; S295-I590 WeakPolarHBondContact CA-O 3.48Å; F296-I590 HydrophobicContact CB-CB 4.24Å; F296-I590 HydrophobicContact CD2-CB 4.45Å; F296-I590 PolarHBondContact N-O 3.08Å; F296-I590 PolarHBondContact O-N 3.08Å; I302-I590 HydrophobicContact CD1-CD1 3.69Å; N572-I590 HydrophobicContact CB-CD1 4.12Å; N572-I590 HydrophobicContact CB-CG1 4.06Å; T573-I590 HydrophobicContact CG2-CD1 4.17Å; K588-I590 WeakPolarHBondContact O-CG1 3.43Å; K588-I590 PolarHBondContact O-N 2.87Å; I590-T594 WeakPolarHBondContact CG2-OG1 3.23Å; I590-V596 HydrophobicContact CD1-CG1 4.09Å; I590-V596 HydrophobicContact CD1-CG2 4.3Å; I590-V596 HydrophobicContact CG2-CG2 4.33Å
591	L	98.3	Very high	96.7	Very high	108 Å²	108	40.7 Å²	40.7	57%	0.565	23%	0.233	S	C	*	.			trans	-88.1	150.4	-179.1	-61	178	0	0	0	111.1	G593 T594	L591-G593 PolarHBondContact O-N 2.99Å; L591-T594 HydrophobicContact CB-CG2 4.09Å; L591-T594 PolarHBondContact N-OG1 3.3Å; L591-T594 WeakPolarHBondContact O-CB 3.1Å; L591-T594 PolarHBondContact O-N 3.5Å; L591-T594 PolarHBondContact O-OG1 3.15Å
592	P	98.5	Very high	96.6	Very high	76 Å²	76	41.1 Å²	41.1	49%	0.494	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	135.9	171.6	-24.1	32.8	0	0	0	112	T594	P592-T594 VanDerWaalsContact C-N 3.31Å
593	G	98.1	Very high	96.4	Very high	53 Å²	53	43 Å²	43	55%	0.546	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.6	-6.6	-176.4	0	0	0	0	0	114.8	A292 L591	A292-G593 PolarHBondContact O-N 3.5Å; L591-G593 PolarHBondContact O-N 2.99Å
594	T	97.6	Very high	96.1	Very high	58 Å²	58	46 Å²	46	36%	0.356	26%	0.256	S	S	.	.	S	Bend	trans	-92.8	156.3	174.8	67.6	0	0	0	0	111.8	A292 I590 L591 P592	A292-T594 PolarHBondContact N-O 3.12Å; I590-T594 WeakPolarHBondContact CG2-OG1 3.23Å; L591-T594 HydrophobicContact CB-CG2 4.09Å; L591-T594 PolarHBondContact N-OG1 3.3Å; L591-T594 WeakPolarHBondContact O-CB 3.1Å; L591-T594 PolarHBondContact O-N 3.5Å; L591-T594 PolarHBondContact O-OG1 3.15Å; P592-T594 VanDerWaalsContact C-N 3.31Å
595	E	97.6	Very high	95.6	Very high	11 Å²	11	51 Å²	51	5%	0.051	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-83.1	141.9	-178.1	-175.7	170.8	-178.3	0	0	111.6	K286 H289 V290 I291 N566 N572 F597	K286-E595 WeakPolarHBondContact CD-OE2 3.19Å; K286-E595 IonicContact NZ-OE2 3.75Å; K286-E595 PolarHBondContact NZ-OE2 3.17Å; H289-E595 WeakPolarHBondContact CB-OE1 3.38Å; H289-E595 IonicContact CD2-OE1 3.76Å; H289-E595 IonicContact CG-OE1 3.3Å; V290-E595 WeakPolarHBondContact O-CA 3.5Å; V290-E595 WeakPolarHBondContact O-CG 3.36Å; I291-E595 HydrophobicContact CD1-CB 3.86Å; I291-E595 HydrophobicContact CD1-CG 4.36Å; N566-E595 VanDerWaalsContact CB-OE1 3.25Å; N566-E595 WeakPolarHBondContact CB-OE1 3.28Å; N566-E595 PolarHBondContact ND2-OE1 3.33Å; N572-E595 PolarHBondContact ND2-O 2.6Å; E595-F597 HydrophobicContact CB-CD2 4.32Å; E595-F597 HydrophobicContact CB-CE1 4.18Å; E595-F597 HydrophobicContact CB-CE2 3.65Å; E595-F597 HydrophobicContact CB-CZ 3.57Å; E595-F597 HydrophobicContact CG-CD1 4.1Å; E595-F597 HydrophobicContact CG-CD2 4.41Å; E595-F597 HydrophobicContact CG-CE1 3.63Å; E595-F597 HydrophobicContact CG-CE2 3.98Å; E595-F597 HydrophobicContact CG-CG 4.47Å; E595-F597 HydrophobicContact CG-CZ 3.57Å; E595-F597 WeakPolarHBondContact O-CD2 3.43Å; E595-F597 WeakPolarHBondContact OE1-CE1 3.36Å; E595-F597 WeakPolarHBondContact OE2-CE1 3.39Å; E595-F597 VanDerWaalsContact OE2-CZ 3.25Å; E595-F597 WeakPolarHBondContact OE2-CZ 3.25Å
596	V	98.5	Very high	94.9	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.296	C	S	.	.			trans	-91.6	114.4	173.6	-171.1	0	0	0	0	107.7	V278 V290 A292 I302 L565 T573 I590	V278-V596 HydrophobicContact CG1-CG2 4.05Å; V290-V596 HydrophobicContact CB-CB 4.19Å; V290-V596 HydrophobicContact CG1-CB 3.99Å; V290-V596 HydrophobicContact CG1-CG2 3.95Å; V290-V596 PolarHBondContact O-N 2.92Å; A292-V596 HydrophobicContact CB-CG2 4.36Å; I302-V596 HydrophobicContact CD1-CG1 4.13Å; I302-V596 HydrophobicContact CG2-CG1 4.29Å; L565-V596 HydrophobicContact CD2-CB 4.25Å; L565-V596 HydrophobicContact CD2-CG1 3.6Å; T573-V596 HydrophobicContact CG2-CG1 3.48Å; T573-V596 VanDerWaalsContact CG2-CG1 3.48Å; I590-V596 HydrophobicContact CD1-CG1 4.09Å; I590-V596 HydrophobicContact CD1-CG2 4.3Å; I590-V596 HydrophobicContact CG2-CG2 4.33Å
597	F	97.9	Very high	94.4	Very high	56 Å²	56	56.9 Å²	56.9	25%	0.246	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	143	-175.8	-66	-74.1	0	0	0	111.5	N566 P571 N572 T573 E595	N566-F597 HydrophobicContact CB-CD1 4.25Å; N566-F597 HydrophobicContact CB-CE1 4.37Å; N566-F597 WeakPolarHBondContact O-CA 3.31Å; P571-F597 HydrophobicContact CB-CB 4.46Å; P571-F597 WeakPolarHBondContact CB-O 3.5Å; N572-F597 PolarHBondContact OD1-N 3.17Å; N572-F597 PolarHBondContact OD1-O 3.32Å; N572-F597 VanDerWaalsContact OD1-O 3.1Å; T573-F597 PolarHBondContact N-O 3.17Å; T573-F597 PolarHBondContact OG1-O 3.44Å; E595-F597 HydrophobicContact CB-CD2 4.32Å; E595-F597 HydrophobicContact CB-CE1 4.18Å; E595-F597 HydrophobicContact CB-CE2 3.65Å; E595-F597 HydrophobicContact CB-CZ 3.57Å; E595-F597 HydrophobicContact CG-CD1 4.1Å; E595-F597 HydrophobicContact CG-CD2 4.41Å; E595-F597 HydrophobicContact CG-CE1 3.63Å; E595-F597 HydrophobicContact CG-CE2 3.98Å; E595-F597 HydrophobicContact CG-CG 4.47Å; E595-F597 HydrophobicContact CG-CZ 3.57Å; E595-F597 WeakPolarHBondContact O-CD2 3.43Å; E595-F597 WeakPolarHBondContact OE1-CE1 3.36Å; E595-F597 WeakPolarHBondContact OE2-CE1 3.39Å; E595-F597 VanDerWaalsContact OE2-CZ 3.25Å; E595-F597 WeakPolarHBondContact OE2-CZ 3.25Å
598	H	96.1	Very high	93.9	Very high	16 Å²	16	57.6 Å²	57.6	7%	0.074	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	174.2	168.1	-167.4	51.8	0	0	0	111.3	L565 N566 H567 S568 T573 H575	L565-H598 HydrophobicContact CB-CB 4.03Å; L565-H598 HydrophobicContact CD2-CB 4.14Å; N566-H598 PolarHBondContact O-N 3.1Å; H567-H598 CarbonylContact C-O 3.43Å; H567-H598 WeakPolarHBondContact CA-O 2.97Å; S568-H598 PolarHBondContact N-O 3.1Å; T573-H598 PolarHBondContact OG1-ND1 3.47Å; H575-H598 AromaticContact CE1-CE1 3.77Å; H575-H598 AromaticContact CE1-NE2 3.19Å; H575-H598 PolarHBondContact CE1-NE2 2.68Å; H575-H598 AromaticContact ND1-CD2 3.81Å; H575-H598 AromaticContact ND1-CE1 3.07Å; H575-H598 PolarHBondContact ND1-CE1 3.14Å; H575-H598 AromaticContact ND1-NE2 2.83Å; H575-H598 PolarHBondContact ND1-NE2 3.36Å
599	C	95	Very high	93.6	Very high	21 Å²	21	56.7 Å²	56.7	14%	0.142	32%	0.323	C	S	.	.			trans	-109.9	134	176.4	-178.5	0	0	0	0	110.7	P571 G601	P571-C599 HydrophobicContact CB-CB 4.46Å; P571-C599 HydrophobicContact CG-CB 3.91Å; C599-G601 VanDerWaalsContact C-N 3.26Å; C599-G601 PolarHBondContact O-N 3.09Å; C599-G601 PolarHBondContact SG-N 3.29Å
600	Y	93.9	Very high	93.3	Very high	60 Å²	60	53.5 Å²	53.5	24%	0.235	30%	0.303	C	S	.	.			trans	-91.5	11.8	-178	-66.5	-2	0	0	0	112.2	L565 N566 H567 P602 L617 Y621 F623	L565-Y600 WeakPolarHBondContact O-CE1 3.46Å; L565-Y600 PolarHBondContact O-OH 3.3Å; N566-Y600 WeakPolarHBondContact CA-OH 3.01Å; H567-Y600 HydrophobicContact CB-CD1 4.07Å; H567-Y600 HydrophobicContact CB-CD2 3.71Å; H567-Y600 HydrophobicContact CB-CE1 4.1Å; H567-Y600 HydrophobicContact CB-CE2 3.75Å; H567-Y600 HydrophobicContact CB-CG 3.88Å; H567-Y600 PolarHBondContact CE1-N 3.49Å; H567-Y600 AromaticContact ND1-CG 3.77Å; H567-Y600 PolarHBondContact ND1-N 3.17Å; Y600-P602 VanDerWaalsContact C-CD 3.41Å; Y600-P602 WeakPolarHBondContact O-CD 3.41Å; Y600-L617 HydrophobicContact CD2-CD2 4.48Å; Y600-Y621 AromaticContact CD2-CD1 3.66Å; Y600-Y621 HydrophobicContact CD2-CD1 3.66Å; Y600-Y621 AromaticContact CD2-CD2 3.9Å; Y600-Y621 HydrophobicContact CD2-CD2 3.9Å; Y600-Y621 AromaticContact CD2-CE1 3.64Å; Y600-Y621 HydrophobicContact CD2-CE1 3.64Å; Y600-Y621 AromaticContact CD2-CE2 3.9Å; Y600-Y621 HydrophobicContact CD2-CE2 3.9Å; Y600-Y621 AromaticContact CD2-CG 3.79Å; Y600-Y621 HydrophobicContact CD2-CG 3.79Å; Y600-Y621 AromaticContact CD2-CZ 3.77Å; Y600-Y621 AromaticContact CE2-CD1 3.9Å; Y600-Y621 HydrophobicContact CE2-CD1 3.9Å; Y600-Y621 HydrophobicContact CE2-CE1 4.15Å; Y600-Y621 HydrophobicContact CE2-CG 4.21Å; Y600-Y621 HydrophobicContact CG-CE1 4.22Å; Y600-Y621 HydrophobicContact CG-CE2 4.33Å; Y600-F623 HydrophobicContact CD2-CE1 4.07Å; Y600-F623 HydrophobicContact CD2-CZ 4.35Å; Y600-F623 AromaticContact CE2-CE1 3.94Å; Y600-F623 HydrophobicContact CE2-CE1 3.94Å; Y600-F623 HydrophobicContact CE2-CZ 4.36Å
601	G	89.3	Confident	93	Very high	42 Å²	42	58 Å²	58	43%	0.433	33%	0.33	S	S	.	.	S	Bend	trans	122.6	-53.2	-176	0	0	0	0	0	113.2	C599 H603	C599-G601 VanDerWaalsContact C-N 3.26Å; C599-G601 PolarHBondContact O-N 3.09Å; C599-G601 PolarHBondContact SG-N 3.29Å; G601-H603 PolarHBondContact O-N 3.48Å
602	P	90.3	Very high	92.8	Very high	11 Å²	11	57.3 Å²	57.3	7%	0.071	32%	0.324	C	S	.	.			trans	-70.4	67.2	-179.8	-22	35.3	0	0	0	114.3	Y600 Y607 R613 L616 L617	Y600-P602 VanDerWaalsContact C-CD 3.41Å; Y600-P602 WeakPolarHBondContact O-CD 3.41Å; P602-Y607 HydrophobicContact CB-CD2 4.31Å; P602-R613 HydrophobicContact CB-CB 4.11Å; P602-R613 HydrophobicContact CB-CG 3.95Å; P602-R613 VanDerWaalsContact O-CD 3.28Å; P602-R613 WeakPolarHBondContact O-CD 3.15Å; P602-L616 HydrophobicContact CG-CB 4.17Å; P602-L616 HydrophobicContact CG-CD1 4.31Å; P602-L617 HydrophobicContact CG-CD2 4.02Å; P602-L617 HydrophobicContact CG-CG 4.2Å
603	H	92.4	Very high	92.6	Very high	39 Å²	39	53.9 Å²	53.9	18%	0.181	30%	0.301	C	S	.	.			trans	-71.7	142.1	174.2	-167.4	-93.1	0	0	0	110.8	C569 G601 L605 H606 Y607	C569-H603 WeakPolarHBondContact O-CA 3.33Å; C569-H603 PolarHBondContact O-CD2 3.41Å; C569-H603 VanDerWaalsContact O-CD2 3.23Å; G601-H603 PolarHBondContact O-N 3.48Å; H603-L605 PolarHBondContact ND1-N 3.1Å; H603-L605 PolarHBondContact O-N 3Å; H603-L605 VanDerWaalsContact O-N 3.16Å; H603-H606 PolarHBondContact O-N 2.94Å; H603-Y607 PolarHBondContact O-N 3.47Å
604	Y	90.5	Very high	92.4	Very high	67 Å²	67	52.8 Å²	52.8	26%	0.263	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.5	-174.4	79.9	-86.6	0	0	0	113.8	C569 D570 Y607 P608 H629	C569-Y604 WeakPolarHBondContact O-CD1 3.44Å; C569-Y604 PolarHBondContact O-N 3.35Å; D570-Y604 HydrophobicContact CB-CD1 3.79Å; D570-Y604 HydrophobicContact CB-CE1 3.97Å; D570-Y604 WeakPolarHBondContact OD1-CE1 3.19Å; Y604-Y607 CarbonylContact O-C 3.59Å; Y604-P608 WeakPolarHBondContact O-CA 3.39Å; Y604-H629 AromaticContact CD1-NE2 3.86Å; Y604-H629 AromaticContact CD2-CE1 3.37Å; Y604-H629 WeakPolarHBondContact CD2-CE1 3.43Å; Y604-H629 AromaticContact CD2-ND1 3.54Å; Y604-H629 AromaticContact CD2-NE2 3.93Å; Y604-H629 AromaticContact CE1-NE2 3.94Å; Y604-H629 AromaticContact CE2-CE1 3.49Å; Y604-H629 VanDerWaalsContact CE2-CE1 3.49Å; Y604-H629 WeakPolarHBondContact CE2-CE1 3.3Å; Y604-H629 AromaticContact CE2-NE2 3.99Å; Y604-H629 AromaticContact CG-CD2 3.95Å; Y604-H629 AromaticContact CG-CE1 3.71Å; Y604-H629 AromaticContact CG-CG 3.88Å; Y604-H629 AromaticContact CG-ND1 3.73Å; Y604-H629 AromaticContact CG-NE2 3.86Å; Y604-H629 AromaticContact CZ-CE1 3.95Å; Y604-H629 AromaticContact CZ-NE2 4Å
605	L	87.3	Confident	92.3	Very high	104 Å²	104	52.7 Å²	52.7	55%	0.545	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-32.1	176	-64.9	173.9	0	0	0	113.3	H603	H603-L605 PolarHBondContact ND1-N 3.1Å; H603-L605 PolarHBondContact O-N 3Å; H603-L605 VanDerWaalsContact O-N 3.16Å
606	H	84.1	Confident	92.1	Very high	143 Å²	143	55 Å²	55	66%	0.662	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.6	-27	-179.6	-62.3	166.6	0	0	0	112.2	H603	H603-H606 PolarHBondContact O-N 2.94Å
607	Y	87.1	Confident	92	Very high	82 Å²	82	55 Å²	55	32%	0.322	30%	0.296	S	S	.	.			trans	-127.1	80.6	178.6	-64.9	-93.2	0	0	0	109.5	P602 H603 Y604 S609 Q612 R613 L616	P602-Y607 HydrophobicContact CB-CD2 4.31Å; H603-Y607 PolarHBondContact O-N 3.47Å; Y604-Y607 CarbonylContact O-C 3.59Å; Y607-S609 PolarHBondContact O-N 3.41Å; Y607-Q612 HydrophobicContact CD1-CG 4.27Å; Y607-R613 HydrophobicContact CG-CG 4.5Å; Y607-R613 VanDerWaalsContact O-CD 3.28Å; Y607-R613 WeakPolarHBondContact O-CD 3.23Å; Y607-R613 WeakPolarHBondContact O-CG 2.86Å; Y607-R613 PolarHBondContact O-NH1 3.34Å; Y607-L616 HydrophobicContact CD1-CD1 4Å; Y607-L616 HydrophobicContact CE1-CD1 3.76Å
608	P	86.7	Confident	91.8	Very high	106 Å²	106	57.2 Å²	57.2	69%	0.688	31%	0.307	S	S	*	.			trans	-60.6	-32.1	-175.2	-26.2	35.6	0	0	0	113.8	Y604 S610 R613	Y604-P608 WeakPolarHBondContact O-CA 3.39Å; P608-S610 PolarHBondContact O-N 2.78Å; P608-R613 PolarHBondContact O-NH1 2.73Å
609	S	89.9	Confident	91.7	Very high	53 Å²	53	62.8 Å²	62.8	37%	0.371	33%	0.333	S	S	.	.			trans	-70.4	117.1	178.4	175.7	0	0	0	0	112.2	Y607 V611 Q612 R613	Y607-S609 PolarHBondContact O-N 3.41Å; S609-V611 VanDerWaalsContact C-N 3.33Å; S609-V611 PolarHBondContact O-N 3.43Å; S609-Q612 PolarHBondContact O-N 2.9Å; S609-Q612 PolarHBondContact OG-N 3.18Å; S609-R613 WeakPolarHBondContact O-CG 3.34Å; S609-R613 PolarHBondContact O-N 3.3Å; S609-R613 VanDerWaalsContact O-N 3.15Å
610	S	92.5	Very high	91.5	Very high	17 Å²	17	65.4 Å²	65.4	12%	0.119	34%	0.343	C	S	.	.	H	α-helix	trans	-61.6	-39.8	174	57.3	0	0	0	0	112.4	P608 Q612 R613 V614	P608-S610 PolarHBondContact O-N 2.78Å; S610-Q612 VanDerWaalsContact C-N 3.31Å; S610-Q612 PolarHBondContact O-N 3.47Å; S610-R613 PolarHBondContact O-N 2.93Å; S610-V614 WeakPolarHBondContact O-CB 3.35Å; S610-V614 WeakPolarHBondContact O-CG2 3.22Å; S610-V614 PolarHBondContact O-N 3.28Å
611	V	92.4	Very high	91.5	Very high	94 Å²	94	64.1 Å²	64.1	57%	0.57	34%	0.338	S	S	*	.	H	α-helix	trans	-59	-43.3	177.2	177.2	0	0	0	0	111	S609 T615	S609-V611 VanDerWaalsContact C-N 3.33Å; S609-V611 PolarHBondContact O-N 3.43Å; V611-T615 VanDerWaalsContact O-CB 3.32Å; V611-T615 WeakPolarHBondContact O-CB 3.47Å; V611-T615 PolarHBondContact O-N 2.93Å; V611-T615 PolarHBondContact O-OG1 3.38Å
612	Q	93.5	Very high	91.8	Very high	95 Å²	95	64.4 Å²	64.4	44%	0.444	33%	0.328	S	S	.	.	H	α-helix	trans	-65.7	-45.8	178.8	-170.8	179.2	8.1	0	0	111.3	Y607 S609 S610 T615 L616	Y607-Q612 HydrophobicContact CD1-CG 4.27Å; S609-Q612 PolarHBondContact O-N 2.9Å; S609-Q612 PolarHBondContact OG-N 3.18Å; S610-Q612 VanDerWaalsContact C-N 3.31Å; S610-Q612 PolarHBondContact O-N 3.47Å; Q612-T615 PolarHBondContact O-N 3.41Å; Q612-L616 HydrophobicContact CG-CD1 4.14Å; Q612-L616 VanDerWaalsContact O-CG 3.31Å; Q612-L616 WeakPolarHBondContact O-CG 3.37Å; Q612-L616 PolarHBondContact O-N 2.81Å
613	R	94.5	Very high	91.9	Very high	3 Å²	3	66.9 Å²	66.9	1%	0.011	34%	0.337	C	S	.	.	H	α-helix	trans	-59.7	-50.2	176.9	-64.3	-167.1	-53.4	-84.7	-2.9	111.8	C569 P602 Y607 P608 S609 S610 T615 L616 L617 H629 C630	C569-R613 PolarHBondContact SG-NE 3.5Å; C569-R613 VanDerWaalsContact SG-NE 3.35Å; P602-R613 HydrophobicContact CB-CB 4.11Å; P602-R613 HydrophobicContact CB-CG 3.95Å; P602-R613 VanDerWaalsContact O-CD 3.28Å; P602-R613 WeakPolarHBondContact O-CD 3.15Å; Y607-R613 HydrophobicContact CG-CG 4.5Å; Y607-R613 VanDerWaalsContact O-CD 3.28Å; Y607-R613 WeakPolarHBondContact O-CD 3.23Å; Y607-R613 WeakPolarHBondContact O-CG 2.86Å; Y607-R613 PolarHBondContact O-NH1 3.34Å; P608-R613 PolarHBondContact O-NH1 2.73Å; S609-R613 WeakPolarHBondContact O-CG 3.34Å; S609-R613 PolarHBondContact O-N 3.3Å; S609-R613 VanDerWaalsContact O-N 3.15Å; S610-R613 PolarHBondContact O-N 2.93Å; R613-T615 VanDerWaalsContact C-N 3.31Å; R613-T615 PolarHBondContact O-N 3.18Å; R613-L616 PolarHBondContact O-N 3.12Å; R613-L617 WeakPolarHBondContact O-CB 3.23Å; R613-L617 VanDerWaalsContact O-CG 3.23Å; R613-L617 WeakPolarHBondContact O-CG 3.16Å; R613-L617 PolarHBondContact O-N 3.44Å; R613-H629 PolarHBondContact NH2-O 3Å; R613-C630 PolarHBondContact NH2-SG 3.4Å
614	V	94.5	Very high	92	Very high	30 Å²	30	70.3 Å²	70.3	18%	0.182	36%	0.356	C	S	.	.	H	α-helix	trans	-59.5	-43.1	179	170.5	0	0	0	0	111.1	S610 L617 Q618 I624 C630	S610-V614 WeakPolarHBondContact O-CB 3.35Å; S610-V614 WeakPolarHBondContact O-CG2 3.22Å; S610-V614 PolarHBondContact O-N 3.28Å; V614-L617 PolarHBondContact O-N 3.43Å; V614-Q618 VanDerWaalsContact O-CB 3.25Å; V614-Q618 WeakPolarHBondContact O-CB 3.37Å; V614-Q618 PolarHBondContact O-N 3.28Å; V614-I624 HydrophobicContact CG1-CG2 4.08Å; V614-C630 HydrophobicContact CG2-CB 4.41Å
615	T	94.7	Very high	92.1	Very high	56 Å²	56	67.4 Å²	67.4	34%	0.344	35%	0.346	S	S	.	.	H	α-helix	trans	-61.8	-48.7	178.5	-58.7	0	0	0	0	111.6	V611 Q612 R613 L617 Q618 Q619	V611-T615 VanDerWaalsContact O-CB 3.32Å; V611-T615 WeakPolarHBondContact O-CB 3.47Å; V611-T615 PolarHBondContact O-N 2.93Å; V611-T615 PolarHBondContact O-OG1 3.38Å; Q612-T615 PolarHBondContact O-N 3.41Å; R613-T615 VanDerWaalsContact C-N 3.31Å; R613-T615 PolarHBondContact O-N 3.18Å; T615-L617 VanDerWaalsContact C-N 3.35Å; T615-L617 PolarHBondContact O-N 3.4Å; T615-Q618 PolarHBondContact O-N 3.32Å; T615-Q619 HydrophobicContact CG2-CG 4.38Å; T615-Q619 WeakPolarHBondContact O-CB 3.47Å; T615-Q619 VanDerWaalsContact O-CG 3.23Å; T615-Q619 WeakPolarHBondContact O-CG 3.18Å; T615-Q619 PolarHBondContact O-N 3.19Å
616	L	94.1	Very high	92.3	Very high	60 Å²	60	68.4 Å²	68.4	31%	0.314	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-43.4	179.4	-70.1	170.8	0	0	0	111.7	P602 Y607 Q612 R613 Q620	P602-L616 HydrophobicContact CG-CB 4.17Å; P602-L616 HydrophobicContact CG-CD1 4.31Å; Y607-L616 HydrophobicContact CD1-CD1 4Å; Y607-L616 HydrophobicContact CE1-CD1 3.76Å; Q612-L616 HydrophobicContact CG-CD1 4.14Å; Q612-L616 VanDerWaalsContact O-CG 3.31Å; Q612-L616 WeakPolarHBondContact O-CG 3.37Å; Q612-L616 PolarHBondContact O-N 2.81Å; R613-L616 PolarHBondContact O-N 3.12Å; L616-Q620 PolarHBondContact O-N 2.91Å
617	L	95.7	Very high	92.8	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-67.1	-42.2	179.2	-67.2	168.7	0	0	0	112.1	H567 Y600 P602 R613 V614 T615 Y621 F622 F623 C625	H567-L617 WeakPolarHBondContact CD2-CD1 3.11Å; H567-L617 WeakPolarHBondContact NE2-CD1 3.4Å; Y600-L617 HydrophobicContact CD2-CD2 4.48Å; P602-L617 HydrophobicContact CG-CD2 4.02Å; P602-L617 HydrophobicContact CG-CG 4.2Å; R613-L617 WeakPolarHBondContact O-CB 3.23Å; R613-L617 VanDerWaalsContact O-CG 3.23Å; R613-L617 WeakPolarHBondContact O-CG 3.16Å; R613-L617 PolarHBondContact O-N 3.44Å; V614-L617 PolarHBondContact O-N 3.43Å; T615-L617 VanDerWaalsContact C-N 3.35Å; T615-L617 PolarHBondContact O-N 3.4Å; L617-Y621 HydrophobicContact CD2-CD2 4.07Å; L617-Y621 HydrophobicContact CD2-CE2 4.36Å; L617-Y621 CarbonylContact O-C 3.58Å; L617-Y621 WeakPolarHBondContact O-CA 3.09Å; L617-Y621 WeakPolarHBondContact O-CB 3.5Å; L617-Y621 PolarHBondContact O-N 2.9Å; L617-F622 PolarHBondContact O-N 3.25Å; L617-F623 HydrophobicContact CB-CE1 4.32Å; L617-F623 HydrophobicContact CB-CZ 4.06Å; L617-F623 HydrophobicContact CD1-CE2 4.32Å; L617-F623 HydrophobicContact CD1-CZ 4.12Å; L617-F623 HydrophobicContact CD2-CE1 4.25Å; L617-F623 HydrophobicContact CD2-CZ 3.83Å; L617-F623 HydrophobicContact CG-CZ 4.22Å; L617-C625 HydrophobicContact CD1-CB 3.61Å
618	Q	94.4	Very high	93	Very high	102 Å²	102	63.4 Å²	63.4	48%	0.477	33%	0.333	S	S	.	.	H	α-helix	trans	-66.8	-38.4	178.6	-172.6	177.4	10.2	0	0	111.9	V614 T615 F622 F623	V614-Q618 VanDerWaalsContact O-CB 3.25Å; V614-Q618 WeakPolarHBondContact O-CB 3.37Å; V614-Q618 PolarHBondContact O-N 3.28Å; T615-Q618 PolarHBondContact O-N 3.32Å; Q618-F622 WeakPolarHBondContact O-CA 3.38Å; Q618-F622 PolarHBondContact O-N 3.46Å; Q618-F623 WeakPolarHBondContact CA-O 3.36Å; Q618-F623 PolarHBondContact N-O 3.05Å
619	Q	93	Very high	93.2	Very high	133 Å²	133	60.4 Å²	60.4	62%	0.621	31%	0.31	S	S	*	.	H	α-helix	trans	-67.3	-41.9	-179.9	-77.4	174.8	-10.9	0	0	112.8	T615	T615-Q619 HydrophobicContact CG2-CG 4.38Å; T615-Q619 WeakPolarHBondContact O-CB 3.47Å; T615-Q619 VanDerWaalsContact O-CG 3.23Å; T615-Q619 WeakPolarHBondContact O-CG 3.18Å; T615-Q619 PolarHBondContact O-N 3.19Å
620	Q	91.4	Very high	93.3	Very high	76 Å²	76	58.9 Å²	58.9	36%	0.355	30%	0.298	S	S	.	.	H	α-helix	trans	-96.2	-33.9	-174.4	-175.5	173.6	-16.1	0	0	113.7	Q506 C507 L616	Q506-Q620 PolarHBondContact O-NE2 3.01Å; C507-Q620 PolarHBondContact SG-O 2.67Å; C507-Q620 VanDerWaalsContact SG-O 3.42Å; L616-Q620 PolarHBondContact O-N 2.91Å
621	Y	93.9	Very high	93.1	Very high	33 Å²	33	61.8 Å²	61.8	13%	0.129	32%	0.319	C	S	.	.	H	α-helix	trans	-119.6	-1.1	-170.2	-56.5	-84	0	0	0	113.8	C507 Y600 L617 F623	C507-Y621 HydrophobicContact CB-CD1 4.16Å; C507-Y621 VanDerWaalsContact O-CE1 3.24Å; C507-Y621 WeakPolarHBondContact O-CE1 3.48Å; Y600-Y621 AromaticContact CD2-CD1 3.66Å; Y600-Y621 HydrophobicContact CD2-CD1 3.66Å; Y600-Y621 AromaticContact CD2-CD2 3.9Å; Y600-Y621 HydrophobicContact CD2-CD2 3.9Å; Y600-Y621 AromaticContact CD2-CE1 3.64Å; Y600-Y621 HydrophobicContact CD2-CE1 3.64Å; Y600-Y621 AromaticContact CD2-CE2 3.9Å; Y600-Y621 HydrophobicContact CD2-CE2 3.9Å; Y600-Y621 AromaticContact CD2-CG 3.79Å; Y600-Y621 HydrophobicContact CD2-CG 3.79Å; Y600-Y621 AromaticContact CD2-CZ 3.77Å; Y600-Y621 AromaticContact CE2-CD1 3.9Å; Y600-Y621 HydrophobicContact CE2-CD1 3.9Å; Y600-Y621 HydrophobicContact CE2-CE1 4.15Å; Y600-Y621 HydrophobicContact CE2-CG 4.21Å; Y600-Y621 HydrophobicContact CG-CE1 4.22Å; Y600-Y621 HydrophobicContact CG-CE2 4.33Å; L617-Y621 HydrophobicContact CD2-CD2 4.07Å; L617-Y621 HydrophobicContact CD2-CE2 4.36Å; L617-Y621 CarbonylContact O-C 3.58Å; L617-Y621 WeakPolarHBondContact O-CA 3.09Å; L617-Y621 WeakPolarHBondContact O-CB 3.5Å; L617-Y621 PolarHBondContact O-N 2.9Å; Y621-F623 VanDerWaalsContact C-N 3.31Å; Y621-F623 VanDerWaalsContact CB-CE1 3.42Å; Y621-F623 HydrophobicContact CD2-CE1 4.48Å; Y621-F623 HydrophobicContact CG-CE1 4.11Å; Y621-F623 PolarHBondContact O-N 3.17Å
622	F	94.1	Very high	92.4	Very high	49 Å²	49	62.5 Å²	62.5	22%	0.215	31%	0.314	C	S	.	.	S	Bend	trans	61.9	28.1	172.8	-43.5	-68.1	0	0	0	116	H449 N452 F453 L617 Q618	H449-F622 HydrophobicContact CB-CD2 3.81Å; H449-F622 HydrophobicContact CB-CE2 3.68Å; H449-F622 AromaticContact CG-CD2 3.72Å; H449-F622 AromaticContact ND1-CD2 3.82Å; N452-F622 HydrophobicContact CB-CB 3.92Å; N452-F622 HydrophobicContact CB-CD1 3.65Å; N452-F622 HydrophobicContact CB-CD2 3.61Å; N452-F622 HydrophobicContact CB-CE1 4.02Å; N452-F622 HydrophobicContact CB-CE2 3.99Å; N452-F622 HydrophobicContact CB-CG 3.42Å; N452-F622 VanDerWaalsContact CB-CG 3.42Å; N452-F622 HydrophobicContact CB-CZ 4.18Å; F453-F622 HydrophobicContact CD1-CE2 4.43Å; F453-F622 AromaticContact CD1-CZ 3.63Å; F453-F622 HydrophobicContact CD1-CZ 3.63Å; F453-F622 AromaticContact CD2-CE2 3.96Å; F453-F622 HydrophobicContact CD2-CE2 3.96Å; F453-F622 AromaticContact CD2-CZ 3.88Å; F453-F622 HydrophobicContact CD2-CZ 3.88Å; F453-F622 HydrophobicContact CE1-CE2 4.13Å; F453-F622 AromaticContact CE1-CZ 3.56Å; F453-F622 HydrophobicContact CE1-CZ 3.56Å; F453-F622 AromaticContact CE2-CE2 3.61Å; F453-F622 HydrophobicContact CE2-CE2 3.61Å; F453-F622 AromaticContact CE2-CZ 3.8Å; F453-F622 HydrophobicContact CE2-CZ 3.8Å; F453-F622 HydrophobicContact CG-CE2 4.34Å; F453-F622 AromaticContact CG-CZ 3.79Å; F453-F622 HydrophobicContact CG-CZ 3.79Å; F453-F622 AromaticContact CZ-CE2 3.7Å; F453-F622 HydrophobicContact CZ-CE2 3.7Å; F453-F622 AromaticContact CZ-CZ 3.63Å; F453-F622 HydrophobicContact CZ-CZ 3.63Å; L617-F622 PolarHBondContact O-N 3.25Å; Q618-F622 WeakPolarHBondContact O-CA 3.38Å; Q618-F622 PolarHBondContact O-N 3.46Å
623	F	93.7	Very high	90.8	Very high	62 Å²	62	63.5 Å²	63.5	27%	0.272	33%	0.329	S	S	.	.			trans	-134.2	166.1	174.7	78.3	-86.3	0	0	0	112.1	H567 Y600 L617 Q618 Y621 C625	H567-F623 HydrophobicContact CB-CE1 4.3Å; H567-F623 HydrophobicContact CB-CE2 4.07Å; H567-F623 HydrophobicContact CB-CZ 3.43Å; H567-F623 VanDerWaalsContact CB-CZ 3.43Å; H567-F623 AromaticContact CD2-CZ 3.89Å; H567-F623 AromaticContact CG-CZ 3.88Å; Y600-F623 HydrophobicContact CD2-CE1 4.07Å; Y600-F623 HydrophobicContact CD2-CZ 4.35Å; Y600-F623 AromaticContact CE2-CE1 3.94Å; Y600-F623 HydrophobicContact CE2-CE1 3.94Å; Y600-F623 HydrophobicContact CE2-CZ 4.36Å; L617-F623 HydrophobicContact CB-CE1 4.32Å; L617-F623 HydrophobicContact CB-CZ 4.06Å; L617-F623 HydrophobicContact CD1-CE2 4.32Å; L617-F623 HydrophobicContact CD1-CZ 4.12Å; L617-F623 HydrophobicContact CD2-CE1 4.25Å; L617-F623 HydrophobicContact CD2-CZ 3.83Å; L617-F623 HydrophobicContact CG-CZ 4.22Å; Q618-F623 WeakPolarHBondContact CA-O 3.36Å; Q618-F623 PolarHBondContact N-O 3.05Å; Y621-F623 VanDerWaalsContact C-N 3.31Å; Y621-F623 VanDerWaalsContact CB-CE1 3.42Å; Y621-F623 HydrophobicContact CD2-CE1 4.48Å; Y621-F623 HydrophobicContact CG-CE1 4.11Å; Y621-F623 PolarHBondContact O-N 3.17Å; F623-C625 HydrophobicContact CE2-CB 3.96Å
624	I	93.1	Very high	88.9	Confident	111 Å²	111	68.2 Å²	68.2	57%	0.569	36%	0.358	S	S	*	.			trans	-110.5	122.8	174.5	-61.4	173.9	0	0	0	107.7	V614	V614-I624 HydrophobicContact CG1-CG2 4.08Å
625	C	94.1	Very high	86.5	Confident	7 Å²	7	74.9 Å²	74.9	5%	0.047	39%	0.387	C	S	.	.			trans	-75.8	132.1	176.1	-176.1	0	0	0	0	111	L617 F623 C627 C630	L617-C625 HydrophobicContact CD1-CB 3.61Å; F623-C625 HydrophobicContact CE2-CB 3.96Å; C625-C627 VanDerWaalsContact SG-SG 3.69Å; C625-C630 VanDerWaalsContact O-CB 3.23Å; C625-C630 WeakPolarHBondContact O-CB 3.29Å
626	D	91.3	Very high	83.8	Confident	124 Å²	124	77.4 Å²	77.4	66%	0.663	41%	0.407	S	S	*	.			trans	-112.4	13.1	-178.4	66	-17.3	0	0	0	113.1	S631	D626-S631 PolarHBondContact O-OG 3.11Å
627	C	93.4	Very high	81.4	Confident	16 Å²	16	82 Å²	82	11%	0.108	43%	0.431	C	S	.	.	S	Bend	trans	-59.7	163.8	178.6	82.1	0	0	0	0	111.6	C625 H629 C630 S631	C625-C627 VanDerWaalsContact SG-SG 3.69Å; C627-H629 PolarHBondContact O-N 3.25Å; C627-C630 PolarHBondContact O-N 2.83Å; C627-S631 PolarHBondContact O-N 3.45Å; C627-S631 PolarHBondContact O-OG 3.26Å
628	E	91.5	Very high	78.4	Confident	104 Å²	104	86.2 Å²	86.2	49%	0.486	46%	0.46	S	S	.	.	H	α-helix	trans	-56.3	-28.4	-174.2	65.3	159.4	152	0	0	114.3	K632	E628-K632 VanDerWaalsContact O-CD 3.22Å; E628-K632 WeakPolarHBondContact O-CD 3.28Å; E628-K632 WeakPolarHBondContact O-CE 3.3Å; E628-K632 WeakPolarHBondContact O-CG 3.41Å; E628-K632 PolarHBondContact O-N 3.42Å; E628-K632 IonicContact OE2-NZ 3.9Å; E628-K632 PolarHBondContact OE2-NZ 2.85Å
629	H	91.5	Very high	75.9	Confident	44 Å²	44	90.4 Å²	90.4	20%	0.204	49%	0.485	C	S	.	.	H	α-helix	trans	-80.1	-23.9	178.4	-68.8	-85.6	0	0	0	113.2	Y604 R613 C627	Y604-H629 AromaticContact CD1-NE2 3.86Å; Y604-H629 AromaticContact CD2-CE1 3.37Å; Y604-H629 WeakPolarHBondContact CD2-CE1 3.43Å; Y604-H629 AromaticContact CD2-ND1 3.54Å; Y604-H629 AromaticContact CD2-NE2 3.93Å; Y604-H629 AromaticContact CE1-NE2 3.94Å; Y604-H629 AromaticContact CE2-CE1 3.49Å; Y604-H629 VanDerWaalsContact CE2-CE1 3.49Å; Y604-H629 WeakPolarHBondContact CE2-CE1 3.3Å; Y604-H629 AromaticContact CE2-NE2 3.99Å; Y604-H629 AromaticContact CG-CD2 3.95Å; Y604-H629 AromaticContact CG-CE1 3.71Å; Y604-H629 AromaticContact CG-CG 3.88Å; Y604-H629 AromaticContact CG-ND1 3.73Å; Y604-H629 AromaticContact CG-NE2 3.86Å; Y604-H629 AromaticContact CZ-CE1 3.95Å; Y604-H629 AromaticContact CZ-NE2 4Å; R613-H629 PolarHBondContact NH2-O 3Å; C627-H629 PolarHBondContact O-N 3.25Å
630	C	92.6	Very high	73	Confident	20 Å²	20	87.9 Å²	87.9	14%	0.135	48%	0.482	C	S	.	.	H	α-helix	trans	-90.3	-31.8	175.9	-69.4	0	0	0	0	111.9	C569 R613 V614 C625 C627	C569-C630 PolarHBondContact SG-SG 3.36Å; R613-C630 PolarHBondContact NH2-SG 3.4Å; V614-C630 HydrophobicContact CG2-CB 4.41Å; C625-C630 VanDerWaalsContact O-CB 3.23Å; C625-C630 WeakPolarHBondContact O-CB 3.29Å; C627-C630 PolarHBondContact O-N 2.83Å
631	S	87.8	Confident	70.2	Confident	79 Å²	79	90.4 Å²	90.4	55%	0.552	50%	0.503	S	S	*	.	H	α-helix	trans	-80.2	-21.1	179.6	-67.9	0	0	0	0	114	D626 C627	D626-S631 PolarHBondContact O-OG 3.11Å; C627-S631 PolarHBondContact O-N 3.45Å; C627-S631 PolarHBondContact O-OG 3.26Å
632	K	78.2	Confident	67.3	Low	109 Å²	109	93 Å²	93	47%	0.474	53%	0.526	S	S	.	.	S	Bend	trans	-66.3	131.5	172.4	-79.1	164	-164.8	168.1	0	109.8	E628 V634	E628-K632 VanDerWaalsContact O-CD 3.22Å; E628-K632 WeakPolarHBondContact O-CD 3.28Å; E628-K632 WeakPolarHBondContact O-CE 3.3Å; E628-K632 WeakPolarHBondContact O-CG 3.41Å; E628-K632 PolarHBondContact O-N 3.42Å; E628-K632 IonicContact OE2-NZ 3.9Å; E628-K632 PolarHBondContact OE2-NZ 2.85Å; K632-V634 PolarHBondContact O-N 2.59Å
633	P	58.4	Low	64.6	Low	115 Å²	115	98.9 Å²	98.9	75%	0.747	56%	0.558	S	S	*	*			trans	-58.3	137.4	171.2	22.6	-30	0	0	0	109.1	Q635	P633-Q635 PolarHBondContact O-N 3.22Å
634	V	54.9	Low	61.7	Low	102 Å²	102	100.6 Å²	100.6	62%	0.618	57%	0.574	S	S	*	*			trans	-50.8	108.6	176.3	179.8	0	0	0	0	107.1	K632 S636	K632-V634 PolarHBondContact O-N 2.59Å; V634-S636 PolarHBondContact O-N 3.02Å
635	Q	44.6	Very low	59	Low	170 Å²	170	102.2 Å²	102.2	79%	0.794	58%	0.583	S	S	*	*			trans	-60.1	113.4	166	-75.3	-177.1	4.7	0	0	104.7	P633 L637	P633-Q635 PolarHBondContact O-N 3.22Å; Q635-L637 PolarHBondContact O-N 2.81Å
636	S	38.5	Very low	56.4	Low	110 Å²	110	109.1 Å²	109.1	77%	0.769	62%	0.615	S	S	*	*			trans	-59.7	91.5	168.4	52.9	0	0	0	0	106.5	V634 S638	V634-S636 PolarHBondContact O-N 3.02Å; S636-S638 PolarHBondContact O-N 3.1Å
637	L	42.3	Very low	53.8	Low	157 Å²	157	112 Å²	112	82%	0.822	62%	0.624	S	S	*	*			trans	-58.3	95.8	161	-84.5	142.7	0	0	0	104.9	Q635 L639	Q635-L637 PolarHBondContact O-N 2.81Å; L637-L639 PolarHBondContact O-N 3.12Å; L637-L639 VanDerWaalsContact O-N 3.16Å
638	S	34.7	Very low	51.3	Low	87 Å²	87	115 Å²	115	61%	0.608	64%	0.638	S	S	*	*			trans	-46.4	122.7	162.8	46	0	0	0	0	106.8	S636 S640	S636-S638 PolarHBondContact O-N 3.1Å; S638-S640 PolarHBondContact O-N 2.73Å; S638-S640 PolarHBondContact OG-OG 3.05Å
639	L	40.3	Very low	49.2	Very low	190 Å²	190	115.8 Å²	115.8	100%	0.995	66%	0.655	S	S	*	*	S	Bend	trans	-62.7	76	169.6	-79.8	119.3	0	0	0	108.6	L637	L637-L639 PolarHBondContact O-N 3.12Å; L637-L639 VanDerWaalsContact O-N 3.16Å
640	S	33.4	Very low	47	Very low	80 Å²	80	118.6 Å²	118.6	56%	0.559	68%	0.675	S	S	*	*			trans	-151.3	55.8	-178.9	67.3	0	0	0	0	109.8	S638	S638-S640 PolarHBondContact O-N 2.73Å; S638-S640 PolarHBondContact OG-OG 3.05Å
641	T	31.4	Very low	45	Very low	129 Å²	129	123.3 Å²	123.3	79%	0.791	70%	0.703	S	S	*	*	S	Bend	trans	-171.2	128.1	137.3	23.8	0	0	0	0	106.2	I643	T641-I643 PolarHBondContact O-N 2.89Å
642	S	34.5	Very low	43.5	Very low	88 Å²	88	120.3 Å²	120.3	62%	0.615	68%	0.682	S	S	*	*			trans	-40.1	124.8	158.4	45.4	0	0	0	0	108.8	T644	S642-T644 PolarHBondContact O-N 3.2Å; S642-T644 PolarHBondContact O-OG1 3.12Å
643	I	36.3	Very low	42.8	Very low	172 Å²	172	117.5 Å²	117.5	88%	0.882	68%	0.678	S	S	*	*			trans	-68.8	71	167.2	-56.8	171.2	0	0	0	105.8	T641	T641-I643 PolarHBondContact O-N 2.89Å
644	T	32.3	Very low	42.8	Very low	99 Å²	99	116.4 Å²	116.4	61%	0.607	67%	0.666	S	S	*	*			trans	-86.4	109.5	166.2	38.5	0	0	0	0	105.4	S642	S642-T644 PolarHBondContact O-N 3.2Å; S642-T644 PolarHBondContact O-OG1 3.12Å
645	D	37.3	Very low	43.2	Very low	144 Å²	144	118.8 Å²	118.8	77%	0.77	67%	0.671	S	S	*	*	S	Bend	trans	63.6	136.5	175.1	-57	-32.8	0	0	0	115.5	Q647	D645-Q647 PolarHBondContact O-N 3.03Å
646	Q	39.4	Very low	43.8	Very low	153 Å²	153	114.4 Å²	114.4	72%	0.715	65%	0.651	S	S	*	*			trans	-59.1	78.6	173.2	-67.9	166.1	-32	0	0	109.9	M648	Q646-M648 PolarHBondContact O-N 2.66Å
647	Q	36.1	Very low	44.7	Very low	183 Å²	183	109.8 Å²	109.8	86%	0.855	62%	0.618	S	S	*	*			trans	-71.4	111.8	165.4	-83.1	-171.5	-13.9	0	0	107.4	D645 S649	D645-Q647 PolarHBondContact O-N 3.03Å; Q647-S649 PolarHBondContact O-N 3.17Å
648	M	42	Very low	45.8	Very low	79 Å²	79	106.8 Å²	106.8	39%	0.389	60%	0.602	S	S	.	*			trans	-49.5	132.2	178	-50.7	175.7	81.2	0	0	110.2	Q646 V650 P652	Q646-M648 PolarHBondContact O-N 2.66Å; M648-V650 WeakPolarHBondContact CB-O 3.47Å; M648-V650 WeakPolarHBondContact CE-O 3.29Å; M648-V650 PolarHBondContact O-N 3.31Å; M648-P652 HydrophobicContact CE-CG 3.5Å
649	S	47.3	Very low	47.2	Very low	121 Å²	121	108.7 Å²	108.7	85%	0.846	60%	0.601	S	S	*	*	S	Bend	trans	-70.5	-16.4	166	61.2	0	0	0	0	112	Q647	Q647-S649 PolarHBondContact O-N 3.17Å
650	V	45.6	Very low	48.3	Very low	103 Å²	103	103.3 Å²	103.3	62%	0.624	57%	0.567	S	S	*	*	S	Bend	trans	-145.9	117.1	-179.8	-176.7	0	0	0	0	108.9	M648	M648-V650 WeakPolarHBondContact CB-O 3.47Å; M648-V650 WeakPolarHBondContact CE-O 3.29Å; M648-V650 PolarHBondContact O-N 3.31Å
651	V	50.1	Low	49.7	Very low	119 Å²	119	102.7 Å²	102.7	72%	0.721	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-72.6	127.4	166.8	-179.4	0	0	0	0	107.5
652	P	56.7	Low	51.1	Low	17 Å²	17	100 Å²	100	11%	0.11	54%	0.536	C	S	.	.	P	Polyproline II helix	trans	-73.1	144.9	-175.4	-8.2	28.6	0	0	0	109.2	M648 M656 L657 W660	M648-P652 HydrophobicContact CE-CG 3.5Å; P652-M656 HydrophobicContact CB-CB 4.3Å; P652-M656 HydrophobicContact CB-CE 4.44Å; P652-M656 HydrophobicContact CB-SD 4.36Å; P652-L657 HydrophobicContact CB-CD2 4.07Å; P652-L657 HydrophobicContact CB-CG 4.15Å; P652-L657 HydrophobicContact CG-CD2 4.19Å; P652-W660 HydrophobicContact CB-CH2 3.92Å; P652-W660 HydrophobicContact CB-CZ2 4.48Å; P652-W660 HydrophobicContact CB-CZ3 4.08Å; P652-W660 HydrophobicContact CG-CH2 3.68Å; P652-W660 HydrophobicContact CG-CZ3 3.71Å
653	A	63.2	Low	52.3	Low	49 Å²	49	99.4 Å²	99.4	41%	0.405	53%	0.528	S	S	.	.	P	Polyproline II helix	trans	-68.3	155.5	174.6	0	0	0	0	0	111.2	E655 M656 L657	A653-E655 PolarHBondContact O-N 3.04Å; A653-M656 HydrophobicContact CB-CG 4.4Å; A653-M656 WeakPolarHBondContact O-CB 3.37Å; A653-M656 PolarHBondContact O-N 3.44Å; A653-L657 WeakPolarHBondContact O-CG 3.44Å; A653-L657 PolarHBondContact O-N 3.01Å; A653-L657 VanDerWaalsContact O-N 3.08Å
654	N	57.1	Low	53.3	Low	93 Å²	93	91.8 Å²	91.8	50%	0.497	49%	0.491	S	S	.	.	H	α-helix	trans	-54.3	-36.5	176.4	-74.1	-5.1	0	0	0	112.5	L657 I658	N654-L657 PolarHBondContact O-N 3.17Å; N654-I658 WeakPolarHBondContact O-CG1 3.49Å; N654-I658 PolarHBondContact O-N 3Å
655	E	64.6	Low	54.4	Low	152 Å²	152	90.5 Å²	90.5	71%	0.71	48%	0.48	S	S	*	.	H	α-helix	trans	-62.2	-46.8	176.2	-68.1	151.9	-170.7	0	0	111.8	A653 L657 I658 E659	A653-E655 PolarHBondContact O-N 3.04Å; E655-L657 VanDerWaalsContact C-N 3.26Å; E655-L657 PolarHBondContact O-N 3.38Å; E655-I658 PolarHBondContact O-N 3.18Å; E655-E659 PolarHBondContact O-N 3.37Å
656	M	57.6	Low	55.3	Low	78 Å²	78	89.1 Å²	89.1	38%	0.384	47%	0.467	S	S	.	.	H	α-helix	trans	-60.1	-38.4	175	-67.2	178	66.5	0	0	111.5	P652 A653 E659 W660	P652-M656 HydrophobicContact CB-CB 4.3Å; P652-M656 HydrophobicContact CB-CE 4.44Å; P652-M656 HydrophobicContact CB-SD 4.36Å; A653-M656 HydrophobicContact CB-CG 4.4Å; A653-M656 WeakPolarHBondContact O-CB 3.37Å; A653-M656 PolarHBondContact O-N 3.44Å; M656-E659 PolarHBondContact O-N 2.9Å; M656-W660 HydrophobicContact CE-CZ2 3.78Å; M656-W660 WeakPolarHBondContact O-CB 3.46Å; M656-W660 PolarHBondContact O-N 3Å
657	L	57.3	Low	55.9	Low	12 Å²	12	83.4 Å²	83.4	6%	0.063	44%	0.443	C	S	.	.	H	α-helix	trans	-68.4	-36.7	-179.9	-65.3	163.7	0	0	0	111.9	L539 P652 A653 N654 E655 W660 K661	L539-L657 HydrophobicContact CB-CD1 4.27Å; L539-L657 HydrophobicContact CD1-CD1 3.59Å; L539-L657 HydrophobicContact CD2-CB 3.72Å; L539-L657 HydrophobicContact CD2-CD1 3.5Å; L539-L657 VanDerWaalsContact CD2-CD1 3.5Å; L539-L657 HydrophobicContact CD2-CD2 4.25Å; L539-L657 HydrophobicContact CD2-CG 3.99Å; L539-L657 HydrophobicContact CG-CD1 3.96Å; P652-L657 HydrophobicContact CB-CD2 4.07Å; P652-L657 HydrophobicContact CB-CG 4.15Å; P652-L657 HydrophobicContact CG-CD2 4.19Å; A653-L657 WeakPolarHBondContact O-CG 3.44Å; A653-L657 PolarHBondContact O-N 3.01Å; A653-L657 VanDerWaalsContact O-N 3.08Å; N654-L657 PolarHBondContact O-N 3.17Å; E655-L657 VanDerWaalsContact C-N 3.26Å; E655-L657 PolarHBondContact O-N 3.38Å; L657-W660 HydrophobicContact CD2-CE3 3.84Å; L657-W660 HydrophobicContact CD2-CZ3 4.1Å; L657-W660 PolarHBondContact O-N 3.11Å; L657-K661 WeakPolarHBondContact O-CB 3.43Å; L657-K661 PolarHBondContact O-N 3.29Å
658	I	63.5	Low	56.5	Low	95 Å²	95	75.2 Å²	75.2	49%	0.487	41%	0.405	S	S	.	.	H	α-helix	trans	-63.9	-46.2	172.7	-68.5	165.6	0	0	0	110.3	V533 N654 E655 W660 K661 D662	V533-I658 HydrophobicContact CG1-CG1 3.86Å; N654-I658 WeakPolarHBondContact O-CG1 3.49Å; N654-I658 PolarHBondContact O-N 3Å; E655-I658 PolarHBondContact O-N 3.18Å; I658-W660 VanDerWaalsContact C-N 3.33Å; I658-W660 PolarHBondContact O-N 3.34Å; I658-K661 PolarHBondContact O-N 3.22Å; I658-D662 PolarHBondContact O-N 3.46Å
659	E	64.7	Low	56.4	Low	127 Å²	127	77 Å²	77	59%	0.593	41%	0.411	S	S	*	.	H	α-helix	trans	-62.9	-39.2	176.7	-71.6	-177.8	171.7	0	0	112.3	E655 M656 D662 T663	E655-E659 PolarHBondContact O-N 3.37Å; M656-E659 PolarHBondContact O-N 2.9Å; E659-D662 PolarHBondContact O-N 3.29Å; E659-T663 VanDerWaalsContact O-CB 3.31Å; E659-T663 WeakPolarHBondContact O-CB 3.39Å; E659-T663 PolarHBondContact O-N 3.44Å; E659-T663 PolarHBondContact O-OG1 3.41Å
660	W	64.3	Low	56.2	Low	76 Å²	76	74.9 Å²	74.9	29%	0.288	39%	0.394	S	S	.	.	H	α-helix	trans	-65.7	-39.4	176.4	-72.4	3.5	0	0	0	112.3	I546 P652 M656 L657 I658 T663 A664	I546-W660 HydrophobicContact CD1-CB 3.77Å; I546-W660 HydrophobicContact CD1-CD2 3.54Å; I546-W660 HydrophobicContact CD1-CE3 3.18Å; I546-W660 HydrophobicContact CD1-CG 3.83Å; I546-W660 HydrophobicContact CD1-CZ3 3.91Å; P652-W660 HydrophobicContact CB-CH2 3.92Å; P652-W660 HydrophobicContact CB-CZ2 4.48Å; P652-W660 HydrophobicContact CB-CZ3 4.08Å; P652-W660 HydrophobicContact CG-CH2 3.68Å; P652-W660 HydrophobicContact CG-CZ3 3.71Å; M656-W660 HydrophobicContact CE-CZ2 3.78Å; M656-W660 WeakPolarHBondContact O-CB 3.46Å; M656-W660 PolarHBondContact O-N 3Å; L657-W660 HydrophobicContact CD2-CE3 3.84Å; L657-W660 HydrophobicContact CD2-CZ3 4.1Å; L657-W660 PolarHBondContact O-N 3.11Å; I658-W660 VanDerWaalsContact C-N 3.33Å; I658-W660 PolarHBondContact O-N 3.34Å; W660-T663 PolarHBondContact O-N 3.42Å; W660-A664 VanDerWaalsContact O-CB 3.28Å; W660-A664 WeakPolarHBondContact O-CB 3.49Å; W660-A664 PolarHBondContact O-N 3.47Å
661	K	61.6	Low	55.9	Low	67 Å²	67	74.1 Å²	74.1	29%	0.291	39%	0.386	S	S	.	.	H	α-helix	trans	-62.9	-50.4	173.4	-178.6	-177.5	174.5	-177.6	0	111	V533 L657 I658 T663 A664 D665	V533-K661 HydrophobicContact CG2-CD 4.18Å; L657-K661 WeakPolarHBondContact O-CB 3.43Å; L657-K661 PolarHBondContact O-N 3.29Å; I658-K661 PolarHBondContact O-N 3.22Å; K661-T663 PolarHBondContact O-N 2.97Å; K661-A664 WeakPolarHBondContact O-CB 3.44Å; K661-A664 PolarHBondContact O-N 2.95Å; K661-A664 VanDerWaalsContact O-N 3.15Å; K661-D665 WeakPolarHBondContact O-CB 3.47Å; K661-D665 VanDerWaalsContact O-CG 3.28Å; K661-D665 PolarHBondContact O-N 3.47Å
662	D	62.7	Low	55.2	Low	74 Å²	74	68.7 Å²	68.7	40%	0.396	35%	0.353	S	S	.	.	H	α-helix	trans	-60	-37.1	177.5	-179.4	55	0	0	0	111.6	I658 E659 D665 K666	I658-D662 PolarHBondContact O-N 3.46Å; E659-D662 PolarHBondContact O-N 3.29Å; D662-D665 PolarHBondContact O-N 3.44Å; D662-K666 WeakPolarHBondContact O-CB 3.35Å; D662-K666 VanDerWaalsContact O-CG 3.23Å; D662-K666 WeakPolarHBondContact O-CG 3.2Å; D662-K666 PolarHBondContact O-N 3.3Å; D662-K666 WeakPolarHBondContact OD1-CE 3.39Å; D662-K666 IonicContact OD1-NZ 2.66Å; D662-K666 WeakPolarHBondContact OD2-CE 3.33Å; D662-K666 IonicContact OD2-NZ 3.98Å; D662-K666 PolarHBondContact OD2-NZ 3.36Å
663	T	58.9	Low	53.8	Low	75 Å²	75	74.8 Å²	74.8	46%	0.46	38%	0.384	S	S	.	.	H	α-helix	trans	-66.7	-46	174.1	-57	0	0	0	0	111.7	E659 W660 K661 D665 K666 V667	E659-T663 VanDerWaalsContact O-CB 3.31Å; E659-T663 WeakPolarHBondContact O-CB 3.39Å; E659-T663 PolarHBondContact O-N 3.44Å; E659-T663 PolarHBondContact O-OG1 3.41Å; W660-T663 PolarHBondContact O-N 3.42Å; K661-T663 PolarHBondContact O-N 2.97Å; T663-D665 VanDerWaalsContact C-N 3.34Å; T663-D665 PolarHBondContact O-N 3.39Å; T663-K666 PolarHBondContact O-N 3.41Å; T663-V667 HydrophobicContact CG2-CG2 4.17Å; T663-V667 WeakPolarHBondContact O-CB 3.31Å; T663-V667 VanDerWaalsContact O-CG2 3.23Å; T663-V667 WeakPolarHBondContact O-CG2 3.34Å; T663-V667 PolarHBondContact O-N 3.29Å
664	A	56.9	Low	52.3	Low	12 Å²	12	74 Å²	74	10%	0.099	38%	0.377	C	S	.	.	H	α-helix	trans	-59.4	-44.4	174.8	0	0	0	0	0	111.5	F545 W660 K661 T668	F545-A664 HydrophobicContact CD1-CB 4.31Å; F545-A664 HydrophobicContact CE1-CB 3.72Å; W660-A664 VanDerWaalsContact O-CB 3.28Å; W660-A664 WeakPolarHBondContact O-CB 3.49Å; W660-A664 PolarHBondContact O-N 3.47Å; K661-A664 WeakPolarHBondContact O-CB 3.44Å; K661-A664 PolarHBondContact O-N 2.95Å; K661-A664 VanDerWaalsContact O-N 3.15Å; A664-T668 VanDerWaalsContact O-CB 3.3Å; A664-T668 WeakPolarHBondContact O-CB 3.43Å; A664-T668 VanDerWaalsContact O-CG2 3.25Å; A664-T668 WeakPolarHBondContact O-CG2 3.45Å; A664-T668 PolarHBondContact O-N 3.06Å; A664-T668 PolarHBondContact O-OG1 3.22Å
665	D	56	Low	51.2	Low	71 Å²	71	72.5 Å²	72.5	38%	0.38	37%	0.369	S	S	.	.	H	α-helix	trans	-64.1	-39	176.8	-70.5	-19.6	0	0	0	111	K661 D662 T663 T668 F669	K661-D665 WeakPolarHBondContact O-CB 3.47Å; K661-D665 VanDerWaalsContact O-CG 3.28Å; K661-D665 PolarHBondContact O-N 3.47Å; D662-D665 PolarHBondContact O-N 3.44Å; T663-D665 VanDerWaalsContact C-N 3.34Å; T663-D665 PolarHBondContact O-N 3.39Å; D665-T668 WeakPolarHBondContact CA-OG1 3.48Å; D665-T668 PolarHBondContact O-OG1 2.92Å; D665-F669 WeakPolarHBondContact O-CB 3.48Å; D665-F669 PolarHBondContact O-N 3.18Å
666	K	55.9	Low	49.4	Very low	115 Å²	115	71.3 Å²	71.3	50%	0.5	36%	0.358	S	S	.	.	H	α-helix	trans	-69.1	-48	175.1	-77.3	167.6	179	167.3	0	113.2	D662 T663 T668 F669 T670	D662-K666 WeakPolarHBondContact O-CB 3.35Å; D662-K666 VanDerWaalsContact O-CG 3.23Å; D662-K666 WeakPolarHBondContact O-CG 3.2Å; D662-K666 PolarHBondContact O-N 3.3Å; D662-K666 WeakPolarHBondContact OD1-CE 3.39Å; D662-K666 IonicContact OD1-NZ 2.66Å; D662-K666 WeakPolarHBondContact OD2-CE 3.33Å; D662-K666 IonicContact OD2-NZ 3.98Å; D662-K666 PolarHBondContact OD2-NZ 3.36Å; T663-K666 PolarHBondContact O-N 3.41Å; K666-T668 VanDerWaalsContact C-N 3.3Å; K666-F669 PolarHBondContact O-N 3.44Å; K666-T670 PolarHBondContact O-N 3.34Å; K666-T670 PolarHBondContact O-OG1 3.32Å
667	V	51.9	Low	48.1	Very low	33 Å²	33	71 Å²	71	20%	0.2	36%	0.361	C	S	.	.	H	α-helix	trans	-65.4	-37.7	179.7	172.5	0	0	0	0	110.6	F549 T663 T670 N671	F549-V667 HydrophobicContact CD1-CG1 4.24Å; F549-V667 HydrophobicContact CE1-CB 4.43Å; F549-V667 HydrophobicContact CE1-CG1 3.5Å; F549-V667 HydrophobicContact CZ-CG1 4.19Å; T663-V667 HydrophobicContact CG2-CG2 4.17Å; T663-V667 WeakPolarHBondContact O-CB 3.31Å; T663-V667 VanDerWaalsContact O-CG2 3.23Å; T663-V667 WeakPolarHBondContact O-CG2 3.34Å; T663-V667 PolarHBondContact O-N 3.29Å; V667-T670 PolarHBondContact O-OG1 3.31Å; V667-T670 VanDerWaalsContact O-OG1 3.12Å; V667-N671 WeakPolarHBondContact O-CB 3.5Å; V667-N671 PolarHBondContact O-N 2.99Å; V667-N671 PolarHBondContact O-ND2 3.05Å
668	T	48.9	Very low	47	Very low	11 Å²	11	71.5 Å²	71.5	7%	0.067	36%	0.363	C	S	.	.	H	α-helix	trans	-66.9	-56.2	169.8	54.1	0	0	0	0	108.5	F526 F545 A664 D665 K666 T670 N671 T672	F526-T668 HydrophobicContact CE2-CG2 4.39Å; F526-T668 HydrophobicContact CZ-CG2 3.69Å; F545-T668 HydrophobicContact CZ-CG2 4.07Å; A664-T668 VanDerWaalsContact O-CB 3.3Å; A664-T668 WeakPolarHBondContact O-CB 3.43Å; A664-T668 VanDerWaalsContact O-CG2 3.25Å; A664-T668 WeakPolarHBondContact O-CG2 3.45Å; A664-T668 PolarHBondContact O-N 3.06Å; A664-T668 PolarHBondContact O-OG1 3.22Å; D665-T668 WeakPolarHBondContact CA-OG1 3.48Å; D665-T668 PolarHBondContact O-OG1 2.92Å; K666-T668 VanDerWaalsContact C-N 3.3Å; T668-T670 VanDerWaalsContact C-N 3.26Å; T668-T670 PolarHBondContact O-N 2.94Å; T668-N671 CarbonylContact O-C 3.37Å; T668-N671 WeakPolarHBondContact O-CA 3.39Å; T668-N671 PolarHBondContact O-N 3.37Å; T668-T672 VanDerWaalsContact C-CB 3.5Å; T668-T672 WeakPolarHBondContact O-CA 3.44Å; T668-T672 WeakPolarHBondContact O-CB 3.29Å; T668-T672 PolarHBondContact O-N 3.45Å; T668-T672 PolarHBondContact O-OG1 3.42Å
669	F	40.7	Very low	45.4	Very low	116 Å²	116	72.1 Å²	72.1	51%	0.509	37%	0.368	S	S	.	.	H	α-helix	trans	-48	-40.4	-179.5	-167.8	-97	0	0	0	114.8	D665 K666 T672 L673	D665-F669 WeakPolarHBondContact O-CB 3.48Å; D665-F669 PolarHBondContact O-N 3.18Å; K666-F669 PolarHBondContact O-N 3.44Å; F669-T672 PolarHBondContact O-N 3.22Å; F669-L673 PolarHBondContact O-N 2.92Å
670	T	42.4	Very low	43.7	Very low	78 Å²	78	76.8 Å²	76.8	48%	0.479	38%	0.38	S	S	.	.	H	α-helix	trans	-69.7	-38.6	173.9	43.6	0	0	0	0	113.9	K666 V667 T668 T672	K666-T670 PolarHBondContact O-N 3.34Å; K666-T670 PolarHBondContact O-OG1 3.32Å; V667-T670 PolarHBondContact O-OG1 3.31Å; V667-T670 VanDerWaalsContact O-OG1 3.12Å; T668-T670 VanDerWaalsContact C-N 3.26Å; T668-T670 PolarHBondContact O-N 2.94Å; T670-T672 VanDerWaalsContact C-N 3.31Å
671	N	39.2	Very low	42.1	Very low	87 Å²	87	74.9 Å²	74.9	47%	0.465	38%	0.384	S	S	.	.	H	α-helix	trans	-77.5	-14.9	171.1	-76.4	-27.9	0	0	0	113.5	V667 T668	V667-N671 WeakPolarHBondContact O-CB 3.5Å; V667-N671 PolarHBondContact O-N 2.99Å; V667-N671 PolarHBondContact O-ND2 3.05Å; T668-N671 CarbonylContact O-C 3.37Å; T668-N671 WeakPolarHBondContact O-CA 3.39Å; T668-N671 PolarHBondContact O-N 3.37Å
672	T	34.3	Very low	40.6	Very low	5 Å²	5	78.6 Å²	78.6	3%	0.031	40%	0.401	C	S	.	.	H	α-helix	trans	-111.9	6.8	-160.7	-56.7	0	0	0	0	112.4	T668 F669 T670 A674 I675 Y676	T668-T672 VanDerWaalsContact C-CB 3.5Å; T668-T672 WeakPolarHBondContact O-CA 3.44Å; T668-T672 WeakPolarHBondContact O-CB 3.29Å; T668-T672 PolarHBondContact O-N 3.45Å; T668-T672 PolarHBondContact O-OG1 3.42Å; F669-T672 PolarHBondContact O-N 3.22Å; T670-T672 VanDerWaalsContact C-N 3.31Å; T672-A674 PolarHBondContact O-N 3.48Å; T672-A674 VanDerWaalsContact O-N 3.14Å; T672-I675 VanDerWaalsContact C-N 3.35Å; T672-I675 HydrophobicContact CG2-CB 3.39Å; T672-I675 HydrophobicContact CG2-CG2 3.64Å; T672-I675 CarbonylContact O-C 3.58Å; T672-I675 PolarHBondContact O-N 3.12Å; T672-Y676 HydrophobicContact CG2-CD2 3.22Å; T672-Y676 HydrophobicContact CG2-CE2 3.84Å; T672-Y676 HydrophobicContact CG2-CG 3.95Å; T672-Y676 PolarHBondContact O-N 3.42Å
673	L	28.7	Very low	39	Very low	145 Å²	145	83.8 Å²	83.8	76%	0.759	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-14.3	155.7	-122.5	139.9	0	0	0	111.5	F669	F669-L673 PolarHBondContact O-N 2.92Å
674	A	31.3	Very low	37.7	Very low	31 Å²	31	87.9 Å²	87.9	26%	0.256	43%	0.434	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.1	-23	162.9	0	0	0	0	0	115.1	L174 T672	L174-A674 HydrophobicContact CD2-CB 3.58Å; T672-A674 PolarHBondContact O-N 3.48Å; T672-A674 VanDerWaalsContact O-N 3.14Å
675	I	33.3	Very low	36.4	Very low	63 Å²	63	97.4 Å²	97.4	32%	0.323	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114	-29.4	-163.5	-62.8	164.2	0	0	0	112.6	T672 T677 I678	T672-I675 VanDerWaalsContact C-N 3.35Å; T672-I675 HydrophobicContact CG2-CB 3.39Å; T672-I675 HydrophobicContact CG2-CG2 3.64Å; T672-I675 CarbonylContact O-C 3.58Å; T672-I675 PolarHBondContact O-N 3.12Å; I675-T677 PolarHBondContact O-N 3.49Å; I675-I678 HydrophobicContact CB-CD1 4.49Å; I675-I678 HydrophobicContact CG2-CD1 4.21Å; I675-I678 WeakPolarHBondContact O-CB 3.26Å; I675-I678 VanDerWaalsContact O-CG1 3.23Å; I675-I678 WeakPolarHBondContact O-CG1 3.41Å; I675-I678 PolarHBondContact O-N 3.14Å
676	Y	27.2	Very low	35	Very low	126 Å²	126	104 Å²	104	49%	0.494	50%	0.504	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-16.3	-178.6	-108	-69	0	0	0	113.2	T672 I678 N679	T672-Y676 HydrophobicContact CG2-CD2 3.22Å; T672-Y676 HydrophobicContact CG2-CE2 3.84Å; T672-Y676 HydrophobicContact CG2-CG 3.95Å; T672-Y676 PolarHBondContact O-N 3.42Å; Y676-I678 PolarHBondContact O-N 3.36Å; Y676-N679 PolarHBondContact O-N 2.87Å
677	T	30.5	Very low	33.9	Very low	71 Å²	71	103.5 Å²	103.5	44%	0.436	50%	0.504	S	S	.	.	H	α-helix	trans	-63.7	-21.2	168.9	-31.2	0	0	0	0	111.8	Q173 I675	Q173-T677 PolarHBondContact OE1-O 3.47Å; I675-T677 PolarHBondContact O-N 3.49Å
678	I	34.6	Very low	33	Very low	23 Å²	23	107.2 Å²	107.2	12%	0.118	52%	0.52	C	S	.	.	H	α-helix	trans	-68.5	-36.5	-179.7	-58.8	175.3	0	0	0	111.9	I675 Y676	I675-I678 HydrophobicContact CB-CD1 4.49Å; I675-I678 HydrophobicContact CG2-CD1 4.21Å; I675-I678 WeakPolarHBondContact O-CB 3.26Å; I675-I678 VanDerWaalsContact O-CG1 3.23Å; I675-I678 WeakPolarHBondContact O-CG1 3.41Å; I675-I678 PolarHBondContact O-N 3.14Å; Y676-I678 PolarHBondContact O-N 3.36Å
679	N	29.2	Very low	32.1	Very low	108 Å²	108	112.6 Å²	112.6	58%	0.578	55%	0.545	S	S	*	.	H	α-helix	trans	-84.5	-17.3	-171.6	-85.4	-27.8	0	0	0	115.3	Y676	Y676-N679 PolarHBondContact O-N 2.87Å
680	R	29.7	Very low	31.6	Very low	225 Å²	225	112.4 Å²	112.4	85%	0.849	55%	0.548	S	S	*	.	H	α-helix	trans	-78.9	-25.2	171.7	-88.3	-168.9	175	179.4	0.2	113.1
681	G	30.2	Very low	30.9	Very low	37 Å²	37	114.5 Å²	114.5	38%	0.381	55%	0.552	S	S	.	*	H	α-helix	trans	-81.1	-29.8	-179.9	0	0	0	0	0	115
682	F	30	Very low	30.4	Very low	144 Å²	144	116.3 Å²	116.3	63%	0.632	56%	0.558	S	S	*	*	H	α-helix	trans	-79.3	-20	-176.8	-100.4	-80.8	0	0	0	114.5	E684	F682-E684 VanDerWaalsContact C-N 3.34Å
683	K	29.1	Very low	30.1	Very low	184 Å²	184	124.3 Å²	124.3	80%	0.8	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.6	-11.5	175.2	-83.2	-173.2	177	176.6	0	114.1
684	E	30.9	Very low	30.2	Very low	161 Å²	161	122.7 Å²	122.7	75%	0.752	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105.5	5.2	178	-72.3	-169.7	165.6	0	0	114.5	F682	F682-E684 VanDerWaalsContact C-N 3.34Å
685	Y	29.9	Very low	30.1	Very low	211 Å²	211	130.3 Å²	130.3	83%	0.827	61%	0.61	S	S	*	*			trans	-135.5	34.9	179.2	-84.2	-76	0	0	0	115.5
686	N	26.4	Very low	29.8	Very low	211 Å²	211	136.5 Å²	136.5	100%	1.128	64%	0.636	S	S	*	*			trans	-113.6	0	147.2	-81.2	-33.7	0	0	0	107.8

Retrieved 686 of 686 residues in 520.2 ms (Link to these results)

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