A0A3Q0KLY2_SCHMA Loading...

RRM domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KLY2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 287 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	30.8	Very low	49.3	Very low	235 Å²	235	114.2 Å²	114.2	100%	1.158	61%	0.61	S	S	*	*				0	87.5	0	-79.5	177.9	170.7	0	0	108.2
2	F	26.4	Very low	52.9	Low	216 Å²	216	104.7 Å²	104.7	95%	0.947	56%	0.56	S	S	*	*			trans	-129.8	82.1	156.2	-74.4	-73.9	0	0	0	104	S4	F2-S4 PolarHBondContact O-N 2.66Å
3	S	27.3	Very low	55.6	Low	105 Å²	105	96.6 Å²	96.6	73%	0.734	52%	0.516	S	S	*	.			trans	-86.7	87.6	171.1	-158.1	0	0	0	0	105.2	H5	S3-H5 VanDerWaalsContact C-N 3.33Å; S3-H5 PolarHBondContact O-N 2.71Å; S3-H5 VanDerWaalsContact O-N 3.08Å
4	S	31.3	Very low	57.9	Low	93 Å²	93	89.7 Å²	89.7	65%	0.65	48%	0.48	S	S	*	.			trans	-72.9	93	170.2	50.8	0	0	0	0	107.4	F2 M6	F2-S4 PolarHBondContact O-N 2.66Å; S4-M6 PolarHBondContact O-N 3.23Å
5	H	35.7	Very low	59.6	Low	154 Å²	154	84.5 Å²	84.5	71%	0.713	45%	0.451	S	S	*	.			trans	-61.7	88.5	164.4	-91.5	-1.4	0	0	0	108.9	S3 D7	S3-H5 VanDerWaalsContact C-N 3.33Å; S3-H5 PolarHBondContact O-N 2.71Å; S3-H5 VanDerWaalsContact O-N 3.08Å; H5-D7 IonicContact ND1-OD2 3.36Å; H5-D7 PolarHBondContact ND1-OD2 2.93Å
6	M	41.8	Very low	60.7	Low	97 Å²	97	85.6 Å²	85.6	48%	0.478	46%	0.457	S	S	.	.			trans	-111.8	18.1	156	-66.8	-113	103.1	0	0	109.6	S4 D8 T9	S4-M6 PolarHBondContact O-N 3.23Å; M6-D8 VanDerWaalsContact C-N 3.27Å; M6-D8 PolarHBondContact O-N 3.48Å; M6-T9 PolarHBondContact O-N 3.32Å; M6-T9 PolarHBondContact O-OG1 3.36Å; M6-T9 VanDerWaalsContact O-OG1 3.13Å
7	D	47.4	Very low	61.4	Low	107 Å²	107	80.8 Å²	80.8	57%	0.572	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-9.3	-166.3	-57.3	-38.5	0	0	0	113.9	H5	H5-D7 IonicContact ND1-OD2 3.36Å; H5-D7 PolarHBondContact ND1-OD2 2.93Å
8	D	57.3	Low	61.7	Low	142 Å²	142	80.9 Å²	80.9	76%	0.759	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.5	19.7	178.5	-70.1	-23.9	0	0	0	113.2	M6 C10	M6-D8 VanDerWaalsContact C-N 3.27Å; M6-D8 PolarHBondContact O-N 3.48Å; D8-C10 PolarHBondContact O-N 3.37Å
9	T	67.4	Low	62	Low	45 Å²	45	80.7 Å²	80.7	28%	0.276	43%	0.434	S	S	.	.			trans	-77.8	119.8	175.6	50.5	0	0	0	0	109.8	M6 S11	M6-T9 PolarHBondContact O-N 3.32Å; M6-T9 PolarHBondContact O-OG1 3.36Å; M6-T9 VanDerWaalsContact O-OG1 3.13Å; T9-S11 PolarHBondContact O-N 2.57Å; T9-S11 VanDerWaalsContact O-N 3.11Å
10	C	87.2	Confident	62.2	Low	31 Å²	31	77.2 Å²	77.2	21%	0.209	42%	0.415	C	S	.	.			trans	-73.8	7.3	174.6	-62.6	0	0	0	0	112.7	D8 F52	D8-C10 PolarHBondContact O-N 3.37Å; C10-F52 VanDerWaalsContact CB-O 3.3Å; C10-F52 WeakPolarHBondContact CB-O 3.43Å; C10-F52 WeakPolarHBondContact O-CB 3.3Å; C10-F52 PolarHBondContact O-N 2.94Å
11	S	89.8	Confident	62.4	Low	31 Å²	31	79.2 Å²	79.2	22%	0.217	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	152	-170.1	-50.6	0	0	0	0	111.1	T9 V50 P80	T9-S11 PolarHBondContact O-N 2.57Å; T9-S11 VanDerWaalsContact O-N 3.11Å; S11-V50 CarbonylContact C-O 3.24Å; S11-V50 WeakPolarHBondContact CA-O 3.47Å; S11-P80 WeakPolarHBondContact O-CD 3.46Å; S11-P80 WeakPolarHBondContact O-CG 3.32Å
12	V	91.9	Very high	64.2	Low	0 Å²	0	73.9 Å²	73.9	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	150.4	172.7	-58.4	0	0	0	0	109.9	I14 F49 V50 F52 A58 V61 I62 I77	V12-I14 HydrophobicContact CG2-CG1 4.35Å; V12-F49 WeakPolarHBondContact O-CA 2.9Å; V12-V50 HydrophobicContact CG2-CB 3.79Å; V12-V50 HydrophobicContact CG2-CG2 4.47Å; V12-V50 PolarHBondContact N-O 3.44Å; V12-V50 PolarHBondContact O-N 3.47Å; V12-F52 HydrophobicContact CG1-CE2 4.38Å; V12-F52 HydrophobicContact CG2-CE2 3.89Å; V12-A58 HydrophobicContact CG1-CB 3.62Å; V12-A58 WeakPolarHBondContact CG1-O 3.31Å; V12-V61 HydrophobicContact CG2-CG1 4.47Å; V12-I62 HydrophobicContact CB-CG1 4.43Å; V12-I62 HydrophobicContact CG1-CD1 3.87Å; V12-I62 HydrophobicContact CG1-CG1 3.77Å; V12-I77 HydrophobicContact CB-CG2 4.11Å; V12-I77 HydrophobicContact CG2-CG2 4.47Å
13	V	88	Confident	66.7	Low	0 Å²	0	64.2 Å²	64.2	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	126.3	174.2	-173.7	0	0	0	0	108.2	E15 V47 I48 F49 I77 R78 P80 D84	V13-E15 HydrophobicContact CG1-CG 4.06Å; V13-V47 HydrophobicContact CG1-CG1 3.47Å; V13-V47 VanDerWaalsContact CG1-CG1 3.47Å; V13-I48 CarbonylContact C-O 3.49Å; V13-I48 WeakPolarHBondContact CA-O 3.45Å; V13-F49 HydrophobicContact CG1-CE1 4.38Å; V13-F49 HydrophobicContact CG1-CZ 4.39Å; V13-F49 HydrophobicContact CG2-CD1 3.79Å; V13-F49 HydrophobicContact CG2-CE1 3.49Å; V13-F49 VanDerWaalsContact CG2-CE1 3.49Å; V13-F49 HydrophobicContact CG2-CZ 4.26Å; V13-I77 WeakPolarHBondContact O-CA 3.49Å; V13-R78 HydrophobicContact CB-CG 4.17Å; V13-R78 PolarHBondContact N-O 2.5Å; V13-R78 PolarHBondContact O-N 3.22Å; V13-P80 HydrophobicContact CG2-CB 3.99Å; V13-P80 HydrophobicContact CG2-CG 4.12Å; V13-D84 HydrophobicContact CG2-CB 4.44Å
14	I	88.2	Confident	69.4	Low	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	127.4	-179.7	-50	174.8	0	0	0	108.1	V12 L17 W31 L32 V47 I48 V50 V75 S76 I77	V12-I14 HydrophobicContact CG2-CG1 4.35Å; I14-L17 HydrophobicContact CG2-CD1 4.08Å; I14-W31 HydrophobicContact CD1-CH2 4.36Å; I14-W31 HydrophobicContact CD1-CZ3 3.85Å; I14-W31 HydrophobicContact CG2-CH2 4.49Å; I14-W31 HydrophobicContact CG2-CZ3 4.43Å; I14-L32 HydrophobicContact CD1-CD1 3.9Å; I14-V47 CarbonylContact O-C 3.47Å; I14-V47 WeakPolarHBondContact O-CA 3.5Å; I14-I48 HydrophobicContact CB-CB 4.14Å; I14-I48 HydrophobicContact CB-CD1 4.44Å; I14-I48 HydrophobicContact CG2-CD1 4.39Å; I14-I48 PolarHBondContact N-O 3.28Å; I14-I48 PolarHBondContact O-N 2.99Å; I14-V50 HydrophobicContact CD1-CG2 3.88Å; I14-V75 HydrophobicContact CG2-CB 4.13Å; I14-V75 HydrophobicContact CG2-CG1 4.29Å; I14-S76 CarbonylContact C-O 3.57Å; I14-S76 WeakPolarHBondContact CA-O 3.48Å; I14-I77 HydrophobicContact CG1-CG1 4.29Å; I14-I77 HydrophobicContact CG1-CG2 4.23Å; I14-I77 HydrophobicContact CG2-CG1 4.31Å
15	E	82.8	Confident	72	Confident	12 Å²	12	62.5 Å²	62.5	6%	0.056	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	178.2	-176.5	-53.9	-170.1	84.2	0	0	111.4	V13 L17 V47 S76 R78 K136 Y137	V13-E15 HydrophobicContact CG1-CG 4.06Å; E15-L17 VanDerWaalsContact C-N 3.31Å; E15-L17 PolarHBondContact O-N 3.08Å; E15-V47 HydrophobicContact CG-CG1 4.41Å; E15-V47 HydrophobicContact CG-CG2 4.46Å; E15-S76 PolarHBondContact N-O 3.47Å; E15-S76 PolarHBondContact O-N 2.76Å; E15-R78 IonicContact OE2-CZ 3.71Å; E15-R78 IonicContact OE2-NE 3.39Å; E15-R78 PolarHBondContact OE2-NE 2.76Å; E15-R78 IonicContact OE2-NH2 2.68Å; E15-R78 PolarHBondContact OE2-NH2 3Å; E15-K136 IonicContact OE1-NZ 3.41Å; E15-K136 PolarHBondContact OE1-NZ 3.48Å; E15-K136 IonicContact OE2-NZ 3.22Å; E15-K136 PolarHBondContact OE2-NZ 3.32Å; E15-Y137 WeakPolarHBondContact OE1-CE1 3.36Å; E15-Y137 VanDerWaalsContact OE1-CZ 3.31Å; E15-Y137 PolarHBondContact OE1-OH 3.37Å
16	D	77.9	Confident	74.5	Confident	102 Å²	102	59.4 Å²	59.4	55%	0.545	31%	0.313	S	S	.	.			trans	67.1	22.7	173.4	-56.2	-33.9	0	0	0	116.1	S76	D16-S76 VanDerWaalsContact OD2-CB 3.25Å; D16-S76 WeakPolarHBondContact OD2-CB 3.05Å
17	L	73.3	Confident	76.8	Confident	4 Å²	4	56.8 Å²	56.8	2%	0.021	30%	0.304	C	S	.	.			trans	-81.7	119.7	169.6	-83.8	153.8	0	0	0	111.3	I14 E15 N19 T20 L23 I48 F70 V75	I14-L17 HydrophobicContact CG2-CD1 4.08Å; E15-L17 VanDerWaalsContact C-N 3.31Å; E15-L17 PolarHBondContact O-N 3.08Å; L17-N19 VanDerWaalsContact C-N 3.3Å; L17-N19 PolarHBondContact O-N 3.3Å; L17-T20 HydrophobicContact CB-CG2 3.29Å; L17-T20 HydrophobicContact CD1-CG2 4.39Å; L17-T20 HydrophobicContact CG-CG2 4.43Å; L17-L23 HydrophobicContact CD1-CD2 4.26Å; L17-I48 HydrophobicContact CD1-CD1 3.34Å; L17-F70 HydrophobicContact CD1-CD1 4.1Å; L17-F70 HydrophobicContact CD1-CE1 4.39Å; L17-F70 HydrophobicContact CD2-CD1 3.72Å; L17-F70 HydrophobicContact CD2-CE1 4.33Å; L17-V75 HydrophobicContact CD1-CG1 4.14Å; L17-V75 HydrophobicContact CD2-CG1 4.08Å; L17-V75 HydrophobicContact CG-CG1 3.84Å
18	V	65.8	Low	78.9	Confident	82 Å²	82	51.7 Å²	51.7	50%	0.497	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-30.6	-176.1	-178.6	0	0	0	0	112	S73	V18-S73 PolarHBondContact N-OG 2.71Å
19	N	67.3	Low	80.6	Confident	77 Å²	77	47.4 Å²	47.4	41%	0.412	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.4	37.1	-171.3	-69.7	-31.2	0	0	0	113.9	L17 H21 N22	L17-N19 VanDerWaalsContact C-N 3.3Å; L17-N19 PolarHBondContact O-N 3.3Å; N19-H21 PolarHBondContact O-N 3.13Å; N19-H21 VanDerWaalsContact O-N 3.13Å; N19-N22 PolarHBondContact O-N 3.38Å; N19-N22 VanDerWaalsContact O-N 3.15Å
20	T	66.5	Low	81.8	Confident	10 Å²	10	50.3 Å²	50.3	6%	0.061	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-59	-25.4	180	49.6	0	0	0	0	114.8	L17 N22 L23 R45	L17-T20 HydrophobicContact CB-CG2 3.29Å; L17-T20 HydrophobicContact CD1-CG2 4.39Å; L17-T20 HydrophobicContact CG-CG2 4.43Å; T20-N22 PolarHBondContact O-N 3.41Å; T20-L23 VanDerWaalsContact O-CB 3.27Å; T20-L23 WeakPolarHBondContact O-CB 3.19Å; T20-L23 PolarHBondContact O-N 2.72Å; T20-R45 WeakPolarHBondContact CB-O 3.46Å; T20-R45 PolarHBondContact OG1-O 3.04Å
21	H	66.2	Low	82.1	Confident	121 Å²	121	50.8 Å²	50.8	56%	0.56	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-62.3	-25	177.6	68.2	-85.1	0	0	0	114	N19	N19-H21 PolarHBondContact O-N 3.13Å; N19-H21 VanDerWaalsContact O-N 3.13Å
22	N	69.6	Low	82.3	Confident	123 Å²	123	49.3 Å²	49.3	66%	0.658	26%	0.257	S	S	*	.	G	3₁₀ helix	trans	-105.6	4.3	175.7	-74.6	-21.4	0	0	0	112.4	N19 T20 K24	N19-N22 PolarHBondContact O-N 3.38Å; N19-N22 VanDerWaalsContact O-N 3.15Å; T20-N22 PolarHBondContact O-N 3.41Å; N22-K24 PolarHBondContact O-N 2.87Å
23	L	77.2	Confident	82.4	Confident	13 Å²	13	52 Å²	52	7%	0.068	28%	0.28	C	S	.	.			trans	-74.6	122.5	-177.1	-175.8	69.5	0	0	0	109.5	L17 T20 V28 I43 I48 F70 Q71	L17-L23 HydrophobicContact CD1-CD2 4.26Å; T20-L23 VanDerWaalsContact O-CB 3.27Å; T20-L23 WeakPolarHBondContact O-CB 3.19Å; T20-L23 PolarHBondContact O-N 2.72Å; L23-V28 HydrophobicContact CD1-CG2 4.06Å; L23-V28 HydrophobicContact CD2-CG2 3.59Å; L23-V28 HydrophobicContact CG-CG2 3.92Å; L23-I43 HydrophobicContact CD2-CD1 4.28Å; L23-I43 HydrophobicContact CG-CD1 4.37Å; L23-I48 HydrophobicContact CD2-CD1 3.19Å; L23-I48 HydrophobicContact CD2-CG1 4.05Å; L23-F70 HydrophobicContact CD1-CE1 3.76Å; L23-F70 HydrophobicContact CD1-CZ 4.09Å; L23-Q71 VanDerWaalsContact CD1-OE1 3.23Å
24	K	84.3	Confident	82.7	Confident	133 Å²	133	57.2 Å²	57.2	58%	0.578	31%	0.313	S	S	*	.			trans	-86.9	134.9	172.9	-67.4	-170.9	177.5	-171.6	0	110.2	N22 E26 S27	N22-K24 PolarHBondContact O-N 2.87Å; K24-E26 WeakPolarHBondContact CB-OE2 3.45Å; K24-E26 PolarHBondContact O-N 3.01Å; K24-S27 WeakPolarHBondContact O-CB 3.33Å; K24-S27 PolarHBondContact O-N 3.2Å
25	P	86.3	Confident	83	Confident	28 Å²	28	59.7 Å²	59.7	18%	0.182	32%	0.324	C	S	.	.	H	α-helix	trans	-58	-33.5	178.3	21.1	-29.6	0	0	0	112	S27 V28 E29 I41 I43 Y95	P25-S27 PolarHBondContact O-N 3.48Å; P25-V28 WeakPolarHBondContact O-CB 3.25Å; P25-V28 PolarHBondContact O-N 2.83Å; P25-E29 PolarHBondContact O-N 2.97Å; P25-I41 HydrophobicContact CB-CB 4.35Å; P25-I41 HydrophobicContact CB-CG2 4.18Å; P25-I41 WeakPolarHBondContact O-CD1 3.3Å; P25-I43 HydrophobicContact CB-CD1 4.29Å; P25-Y95 HydrophobicContact CB-CD1 4.02Å; P25-Y95 HydrophobicContact CB-CD2 4.47Å; P25-Y95 HydrophobicContact CB-CG 3.81Å; P25-Y95 HydrophobicContact CG-CD2 4.12Å; P25-Y95 HydrophobicContact CG-CG 3.93Å
26	E	88.4	Confident	83.5	Confident	90 Å²	90	60.4 Å²	60.4	42%	0.421	33%	0.334	S	S	.	.	H	α-helix	trans	-62.6	-27.5	177.4	-52.1	105	173.7	0	0	112.9	K24 T30	K24-E26 WeakPolarHBondContact CB-OE2 3.45Å; K24-E26 PolarHBondContact O-N 3.01Å; E26-T30 WeakPolarHBondContact O-CB 3.25Å; E26-T30 PolarHBondContact O-N 3Å; E26-T30 PolarHBondContact O-OG1 3.02Å
27	S	90.1	Very high	84.2	Confident	41 Å²	41	59.1 Å²	59.1	29%	0.287	33%	0.33	S	S	.	.	H	α-helix	trans	-72.4	-36	176.1	-58.1	0	0	0	0	111.9	K24 P25 W31	K24-S27 WeakPolarHBondContact O-CB 3.33Å; K24-S27 PolarHBondContact O-N 3.2Å; P25-S27 PolarHBondContact O-N 3.48Å; S27-W31 WeakPolarHBondContact O-CB 3.44Å; S27-W31 PolarHBondContact O-N 3.5Å
28	V	91.5	Very high	85.2	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-70.2	-43.4	174.9	179.2	0	0	0	0	109.6	L23 P25 T30 W31 L32 I41 I48 V50 F70	L23-V28 HydrophobicContact CD1-CG2 4.06Å; L23-V28 HydrophobicContact CD2-CG2 3.59Å; L23-V28 HydrophobicContact CG-CG2 3.92Å; P25-V28 WeakPolarHBondContact O-CB 3.25Å; P25-V28 PolarHBondContact O-N 2.83Å; V28-T30 PolarHBondContact O-N 2.97Å; V28-W31 PolarHBondContact O-N 2.96Å; V28-L32 HydrophobicContact CG1-CD1 3.8Å; V28-L32 HydrophobicContact CG1-CG 4.49Å; V28-L32 WeakPolarHBondContact O-CB 3.37Å; V28-L32 WeakPolarHBondContact O-CG 3.38Å; V28-L32 PolarHBondContact O-N 3.03Å; V28-I41 HydrophobicContact CB-CD1 4.12Å; V28-I41 HydrophobicContact CB-CG2 4.47Å; V28-I41 HydrophobicContact CG1-CD1 4.18Å; V28-I41 HydrophobicContact CG1-CG2 4.36Å; V28-I48 HydrophobicContact CG1-CG2 4.4Å; V28-I48 HydrophobicContact CG2-CD1 4.19Å; V28-V50 HydrophobicContact CG1-CG2 3.84Å; V28-F70 HydrophobicContact CG2-CE1 4.33Å; V28-F70 HydrophobicContact CG2-CZ 4.38Å
29	E	92.5	Very high	86.3	Confident	52 Å²	52	59.8 Å²	59.8	24%	0.243	33%	0.326	C	S	.	.	H	α-helix	trans	-57.3	-49.6	175.2	-168.5	-169.5	165.1	0	0	111.4	P25 W31 L32 A33 I38 I41 Y95 V97	P25-E29 PolarHBondContact O-N 2.97Å; E29-W31 VanDerWaalsContact C-N 3.3Å; E29-W31 PolarHBondContact O-N 3.25Å; E29-L32 PolarHBondContact O-N 3.36Å; E29-A33 WeakPolarHBondContact O-CB 3.42Å; E29-A33 PolarHBondContact O-N 2.81Å; E29-I38 HydrophobicContact CB-CD1 4.42Å; E29-I38 HydrophobicContact CG-CD1 4.11Å; E29-I41 HydrophobicContact CB-CD1 3.75Å; E29-Y95 WeakPolarHBondContact OE2-CE1 2.83Å; E29-V97 HydrophobicContact CG-CG2 4.37Å; E29-V97 WeakPolarHBondContact OE1-CG1 3.4Å
30	T	93.2	Very high	87.3	Confident	107 Å²	107	56.6 Å²	56.6	66%	0.656	31%	0.31	S	S	*	.	H	α-helix	trans	-61.3	-38.8	180	-57	0	0	0	0	112.3	E26 V28	E26-T30 WeakPolarHBondContact O-CB 3.25Å; E26-T30 PolarHBondContact O-N 3Å; E26-T30 PolarHBondContact O-OG1 3.02Å; V28-T30 PolarHBondContact O-N 2.97Å
31	W	93.3	Very high	88.4	Confident	41 Å²	41	56.1 Å²	56.1	16%	0.155	31%	0.308	C	S	.	.	H	α-helix	trans	-68.3	-37.1	178.5	170.4	42.3	0	0	0	112.2	I14 S27 V28 E29 P34 E65 F70 V75 I77	I14-W31 HydrophobicContact CD1-CH2 4.36Å; I14-W31 HydrophobicContact CD1-CZ3 3.85Å; I14-W31 HydrophobicContact CG2-CH2 4.49Å; I14-W31 HydrophobicContact CG2-CZ3 4.43Å; S27-W31 WeakPolarHBondContact O-CB 3.44Å; S27-W31 PolarHBondContact O-N 3.5Å; V28-W31 PolarHBondContact O-N 2.96Å; E29-W31 VanDerWaalsContact C-N 3.3Å; E29-W31 PolarHBondContact O-N 3.25Å; W31-P34 WeakPolarHBondContact O-CD 2.99Å; W31-E65 HydrophobicContact CZ2-CB 4Å; W31-E65 HydrophobicContact CZ2-CG 4.31Å; W31-E65 PolarHBondContact NE1-OE2 3.29Å; W31-F70 HydrophobicContact CB-CD2 4.05Å; W31-F70 HydrophobicContact CB-CE2 3.59Å; W31-F70 HydrophobicContact CB-CZ 4.35Å; W31-F70 HydrophobicContact CD2-CB 4.34Å; W31-F70 HydrophobicContact CD2-CD1 4.43Å; W31-F70 AromaticContact CD2-CD2 3.42Å; W31-F70 HydrophobicContact CD2-CD2 3.42Å; W31-F70 VanDerWaalsContact CD2-CD2 3.42Å; W31-F70 AromaticContact CD2-CE2 3.74Å; W31-F70 HydrophobicContact CD2-CE2 3.74Å; W31-F70 AromaticContact CD2-CG 3.82Å; W31-F70 HydrophobicContact CD2-CG 3.82Å; W31-F70 HydrophobicContact CD2-CZ 4.37Å; W31-F70 AromaticContact CE2-CD2 3.93Å; W31-F70 HydrophobicContact CE3-CB 4.42Å; W31-F70 AromaticContact CE3-CD1 3.86Å; W31-F70 HydrophobicContact CE3-CD1 3.86Å; W31-F70 AromaticContact CE3-CD2 3.65Å; W31-F70 HydrophobicContact CE3-CD2 3.65Å; W31-F70 AromaticContact CE3-CE1 3.97Å; W31-F70 HydrophobicContact CE3-CE1 3.97Å; W31-F70 AromaticContact CE3-CE2 3.77Å; W31-F70 HydrophobicContact CE3-CE2 3.77Å; W31-F70 AromaticContact CE3-CG 3.71Å; W31-F70 HydrophobicContact CE3-CG 3.71Å; W31-F70 AromaticContact CE3-CZ 3.92Å; W31-F70 HydrophobicContact CE3-CZ 3.92Å; W31-F70 AromaticContact CG-CD2 3.6Å; W31-F70 HydrophobicContact CG-CD2 3.6Å; W31-F70 AromaticContact CG-CE2 3.68Å; W31-F70 HydrophobicContact CG-CE2 3.68Å; W31-F70 HydrophobicContact CG-CG 4.46Å; W31-F70 HydrophobicContact CH2-CB 4.11Å; W31-F70 HydrophobicContact CH2-CD1 4.47Å; W31-F70 HydrophobicContact CH2-CG 4.22Å; W31-F70 HydrophobicContact CZ2-CB 3.98Å; W31-F70 HydrophobicContact CZ2-CG 4.3Å; W31-F70 HydrophobicContact CZ3-CB 4.29Å; W31-F70 AromaticContact CZ3-CD1 3.87Å; W31-F70 HydrophobicContact CZ3-CD1 3.87Å; W31-F70 HydrophobicContact CZ3-CD2 4.32Å; W31-F70 HydrophobicContact CZ3-CE1 4.27Å; W31-F70 AromaticContact CZ3-CG 3.91Å; W31-F70 HydrophobicContact CZ3-CG 3.91Å; W31-V75 HydrophobicContact CH2-CG2 3.84Å; W31-V75 HydrophobicContact CZ2-CG2 4.13Å; W31-I77 HydrophobicContact CH2-CD1 3.79Å; W31-I77 HydrophobicContact CZ2-CD1 4.19Å
32	L	94.8	Very high	89.1	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-96.2	-10.3	-174.7	-65.1	179.3	0	0	0	114.4	I14 V28 E29 P34 F35 I38 V50 F52 V61	I14-L32 HydrophobicContact CD1-CD1 3.9Å; V28-L32 HydrophobicContact CG1-CD1 3.8Å; V28-L32 HydrophobicContact CG1-CG 4.49Å; V28-L32 WeakPolarHBondContact O-CB 3.37Å; V28-L32 WeakPolarHBondContact O-CG 3.38Å; V28-L32 PolarHBondContact O-N 3.03Å; E29-L32 PolarHBondContact O-N 3.36Å; L32-P34 VanDerWaalsContact C-N 3.3Å; L32-P34 VanDerWaalsContact O-N 3.17Å; L32-F35 HydrophobicContact CD2-CD2 4.27Å; L32-F35 HydrophobicContact CD2-CE2 4.43Å; L32-F35 WeakPolarHBondContact O-CD2 3.46Å; L32-F35 PolarHBondContact O-N 3.33Å; L32-I38 HydrophobicContact CB-CD1 3.68Å; L32-V50 HydrophobicContact CD1-CB 4.23Å; L32-V50 HydrophobicContact CD1-CG1 3.95Å; L32-V50 HydrophobicContact CD1-CG2 3.83Å; L32-F52 HydrophobicContact CB-CE1 4.4Å; L32-F52 HydrophobicContact CB-CZ 4.04Å; L32-F52 HydrophobicContact CD1-CZ 4.12Å; L32-V61 HydrophobicContact CD2-CG1 3.71Å; L32-V61 HydrophobicContact CD2-CG2 4.1Å
33	A	93.4	Very high	89.6	Confident	57 Å²	57	46.2 Å²	46.2	47%	0.471	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-50.4	-35.8	177.9	0	0	0	0	0	115.3	E29 F35 G36	E29-A33 WeakPolarHBondContact O-CB 3.42Å; E29-A33 PolarHBondContact O-N 2.81Å; A33-F35 PolarHBondContact O-N 3.42Å; A33-G36 PolarHBondContact O-N 2.85Å
34	P	95.1	Very high	89.3	Confident	108 Å²	108	46.4 Å²	46.4	70%	0.701	26%	0.26	S	S	*	.	G	3₁₀ helix	trans	-63.9	-19.8	177.8	-24.5	36	0	0	0	114.8	W31 L32	W31-P34 WeakPolarHBondContact O-CD 2.99Å; L32-P34 VanDerWaalsContact C-N 3.3Å; L32-P34 VanDerWaalsContact O-N 3.17Å
35	F	94.4	Very high	88.6	Confident	52 Å²	52	44.3 Å²	44.3	23%	0.228	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-90.6	-24.9	-175.6	-60.7	-80.2	0	0	0	113.3	L32 A33 A57 N60 V61 S64 E65	L32-F35 HydrophobicContact CD2-CD2 4.27Å; L32-F35 HydrophobicContact CD2-CE2 4.43Å; L32-F35 WeakPolarHBondContact O-CD2 3.46Å; L32-F35 PolarHBondContact O-N 3.33Å; A33-F35 PolarHBondContact O-N 3.42Å; F35-A57 WeakPolarHBondContact O-CB 3.18Å; F35-N60 HydrophobicContact CD1-CB 4.21Å; F35-V61 HydrophobicContact CB-CG2 3.4Å; F35-V61 HydrophobicContact CD1-CG2 3.88Å; F35-V61 HydrophobicContact CD2-CG2 3.58Å; F35-V61 HydrophobicContact CE2-CG2 4.31Å; F35-V61 HydrophobicContact CG-CG2 3.32Å; F35-S64 WeakPolarHBondContact CE1-OG 3.43Å; F35-E65 HydrophobicContact CE1-CG 4.44Å; F35-E65 HydrophobicContact CE2-CG 3.69Å; F35-E65 HydrophobicContact CZ-CG 3.45Å; F35-E65 VanDerWaalsContact CZ-CG 3.45Å
36	G	92.5	Very high	88	Confident	27 Å²	27	47.6 Å²	47.6	28%	0.278	26%	0.257	S	S	.	.			trans	162	177.9	179	0	0	0	0	0	113.3	A33	A33-G36 PolarHBondContact O-N 2.85Å
37	V	93	Very high	87.5	Confident	75 Å²	75	43.4 Å²	43.4	46%	0.455	24%	0.238	S	C	.	.			trans	-72.9	129.6	175.2	-177.5	0	0	0	0	109.3	F52 E53 T99	V37-F52 CarbonylContact O-C 3.59Å; V37-F52 WeakPolarHBondContact O-CA 3.44Å; V37-E53 HydrophobicContact CB-CB 4.12Å; V37-E53 WeakPolarHBondContact CB-OE2 3.45Å; V37-E53 PolarHBondContact O-N 3.34Å; V37-T99 HydrophobicContact CG1-CG2 4.38Å
38	I	93.3	Very high	87.3	Confident	6 Å²	6	41.5 Å²	41.5	3%	0.031	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	127.7	177.2	-63.5	164	0	0	0	108	E29 L32 I41 V50 E51 F52 V97	E29-I38 HydrophobicContact CB-CD1 4.42Å; E29-I38 HydrophobicContact CG-CD1 4.11Å; L32-I38 HydrophobicContact CB-CD1 3.68Å; I38-I41 HydrophobicContact CG2-CD1 4.14Å; I38-I41 HydrophobicContact CG2-CG1 3.65Å; I38-V50 HydrophobicContact CD1-CG1 4.2Å; I38-V50 HydrophobicContact CG1-CG1 4.03Å; I38-V50 HydrophobicContact CG2-CG1 3.73Å; I38-E51 CarbonylContact C-O 3.59Å; I38-F52 HydrophobicContact CD1-CE1 4.16Å; I38-F52 HydrophobicContact CG1-CD1 3.8Å; I38-F52 HydrophobicContact CG1-CE1 3.49Å; I38-F52 VanDerWaalsContact CG1-CE1 3.49Å; I38-F52 HydrophobicContact CG1-CZ 4.11Å; I38-V97 HydrophobicContact CB-CG2 4.2Å; I38-V97 HydrophobicContact CG2-CG2 4.02Å; I38-V97 WeakPolarHBondContact O-CB 3.46Å; I38-V97 VanDerWaalsContact O-CG2 3.3Å; I38-V97 WeakPolarHBondContact O-CG2 3.34Å
39	K	89.3	Confident	87.2	Confident	94 Å²	94	43 Å²	43	41%	0.409	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-49.4	174.2	-74.5	176.7	172.6	163	0	111.2	E51 E53 V97	K39-E51 HydrophobicContact CB-CB 4.47Å; K39-E51 HydrophobicContact CB-CG 4.33Å; K39-E51 HydrophobicContact CD-CG 4.27Å; K39-E51 PolarHBondContact N-O 2.79Å; K39-E53 HydrophobicContact CG-CB 4.47Å; K39-V97 PolarHBondContact O-N 3.46Å
40	S	88	Confident	87.1	Confident	11 Å²	11	40.6 Å²	40.6	8%	0.077	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	147.5	-175.6	76.2	0	0	0	0	112.3	E51 Y95	S40-E51 PolarHBondContact N-O 3.2Å; S40-E51 PolarHBondContact O-N 3.01Å; S40-E51 WeakPolarHBondContact OG-CB 3.46Å; S40-E51 PolarHBondContact OG-OE2 3.19Å; S40-Y95 WeakPolarHBondContact CA-O 3.36Å
41	I	89.8	Confident	87	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	123.4	171	-57.8	174	0	0	0	107	P25 V28 E29 I38 I43 I48 F49 V50 Y95	P25-I41 HydrophobicContact CB-CB 4.35Å; P25-I41 HydrophobicContact CB-CG2 4.18Å; P25-I41 WeakPolarHBondContact O-CD1 3.3Å; V28-I41 HydrophobicContact CB-CD1 4.12Å; V28-I41 HydrophobicContact CB-CG2 4.47Å; V28-I41 HydrophobicContact CG1-CD1 4.18Å; V28-I41 HydrophobicContact CG1-CG2 4.36Å; E29-I41 HydrophobicContact CB-CD1 3.75Å; I38-I41 HydrophobicContact CG2-CD1 4.14Å; I38-I41 HydrophobicContact CG2-CG1 3.65Å; I41-I43 HydrophobicContact CG2-CG1 4.15Å; I41-I48 HydrophobicContact CG2-CG2 3.81Å; I41-F49 CarbonylContact C-O 3.57Å; I41-F49 WeakPolarHBondContact CA-O 3.46Å; I41-V50 HydrophobicContact CG1-CG1 4.36Å; I41-V50 HydrophobicContact CG1-CG2 4.43Å; I41-V50 HydrophobicContact CG2-CG2 4.45Å; I41-Y95 HydrophobicContact CD1-CD1 4.48Å; I41-Y95 PolarHBondContact N-O 3.43Å; I41-Y95 PolarHBondContact O-N 3.45Å
42	S	81.3	Confident	87	Confident	22 Å²	22	36.9 Å²	36.9	15%	0.154	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	117	176.7	-61.3	0	0	0	0	109	I48 F49	S42-I48 CarbonylContact O-C 3.53Å; S42-I48 WeakPolarHBondContact O-CA 3.28Å; S42-F49 PolarHBondContact N-O 3.28Å; S42-F49 PolarHBondContact O-N 2.81Å
43	I	80.1	Confident	86.8	Confident	14 Å²	14	42.6 Å²	42.6	7%	0.072	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122	-179.9	-57.4	172.8	0	0	0	108.2	L23 P25 I41 I48 T93	L23-I43 HydrophobicContact CD2-CD1 4.28Å; L23-I43 HydrophobicContact CG-CD1 4.37Å; P25-I43 HydrophobicContact CB-CD1 4.29Å; I41-I43 HydrophobicContact CG2-CG1 4.15Å; I43-I48 HydrophobicContact CG1-CG1 4.3Å; I43-I48 HydrophobicContact CG1-CG2 4.02Å; I43-I48 HydrophobicContact CG2-CG1 4.37Å; I43-T93 PolarHBondContact N-O 3.02Å
44	Y	71.4	Confident	86.7	Confident	16 Å²	16	42.5 Å²	42.5	6%	0.063	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	106.8	175.2	-175	-92.2	0	0	0	110.4	R46 V47 V87 L91	Y44-R46 PolarHBondContact O-N 2.86Å; Y44-V47 CarbonylContact C-O 3.56Å; Y44-V47 PolarHBondContact N-O 2.87Å; Y44-V47 WeakPolarHBondContact O-CA 3.28Å; Y44-V47 PolarHBondContact O-N 3.08Å; Y44-V87 HydrophobicContact CD1-CG1 3.26Å; Y44-V87 HydrophobicContact CD2-CG1 4.36Å; Y44-V87 HydrophobicContact CE1-CG1 3.36Å; Y44-V87 HydrophobicContact CE2-CG1 4.42Å; Y44-V87 HydrophobicContact CG-CG1 3.8Å; Y44-L91 HydrophobicContact CD2-CB 4.07Å; Y44-L91 WeakPolarHBondContact CD2-O 3.41Å; Y44-L91 HydrophobicContact CE2-CB 3.78Å
45	R	69.9	Low	86.5	Confident	89 Å²	89	39.7 Å²	39.7	34%	0.336	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	-111.5	-175.2	-65.6	-162.6	170.4	94	30.9	111.6	T20 Y137 D139 E142	T20-R45 WeakPolarHBondContact CB-O 3.46Å; T20-R45 PolarHBondContact OG1-O 3.04Å; R45-Y137 PolarHBondContact NH1-O 3.12Å; R45-D139 IonicContact NH2-OD2 2.64Å; R45-E142 IonicContact NH1-OE2 3.55Å
46	R	73	Confident	86.5	Confident	97 Å²	97	40.1 Å²	40.1	37%	0.366	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	6.1	-178.4	-69	-170.9	179.2	135.8	8.3	113.7	Y44 N215 E218	Y44-R46 PolarHBondContact O-N 2.86Å; R46-N215 PolarHBondContact NH2-OD1 2.93Å; R46-E218 IonicContact CZ-OE1 2.67Å; R46-E218 IonicContact CZ-OE2 3.22Å; R46-E218 IonicContact NH1-OE1 3.47Å; R46-E218 PolarHBondContact NH1-OE1 3.16Å; R46-E218 IonicContact NH1-OE2 3.41Å; R46-E218 PolarHBondContact NH1-OE2 3.5Å; R46-E218 IonicContact NH2-OE1 3.17Å; R46-E218 PolarHBondContact NH2-OE1 2.98Å; R46-E218 IonicContact NH2-OE2 2.76Å; R46-E218 PolarHBondContact NH2-OE2 2.89Å
47	V	76.9	Confident	86.6	Confident	3 Å²	3	39 Å²	39	2%	0.018	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	139.4	179.6	-170.8	0	0	0	0	109.5	V13 I14 E15 Y44 F49 Y137	V13-V47 HydrophobicContact CG1-CG1 3.47Å; V13-V47 VanDerWaalsContact CG1-CG1 3.47Å; I14-V47 CarbonylContact O-C 3.47Å; I14-V47 WeakPolarHBondContact O-CA 3.5Å; E15-V47 HydrophobicContact CG-CG1 4.41Å; E15-V47 HydrophobicContact CG-CG2 4.46Å; Y44-V47 CarbonylContact C-O 3.56Å; Y44-V47 PolarHBondContact N-O 2.87Å; Y44-V47 WeakPolarHBondContact O-CA 3.28Å; Y44-V47 PolarHBondContact O-N 3.08Å; V47-F49 HydrophobicContact CB-CE2 4.42Å; V47-F49 HydrophobicContact CG1-CD2 4.09Å; V47-F49 HydrophobicContact CG1-CE2 3.56Å; V47-F49 HydrophobicContact CG1-CZ 4.07Å; V47-Y137 HydrophobicContact CG2-CD1 3.4Å; V47-Y137 VanDerWaalsContact CG2-CD1 3.4Å; V47-Y137 HydrophobicContact CG2-CE1 3.07Å
48	I	86.8	Confident	86.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.3	173.7	-48.4	158.6	0	0	0	107.6	V13 I14 L17 L23 V28 I41 S42 I43 V50	V13-I48 CarbonylContact C-O 3.49Å; V13-I48 WeakPolarHBondContact CA-O 3.45Å; I14-I48 HydrophobicContact CB-CB 4.14Å; I14-I48 HydrophobicContact CB-CD1 4.44Å; I14-I48 HydrophobicContact CG2-CD1 4.39Å; I14-I48 PolarHBondContact N-O 3.28Å; I14-I48 PolarHBondContact O-N 2.99Å; L17-I48 HydrophobicContact CD1-CD1 3.34Å; L23-I48 HydrophobicContact CD2-CD1 3.19Å; L23-I48 HydrophobicContact CD2-CG1 4.05Å; V28-I48 HydrophobicContact CG1-CG2 4.4Å; V28-I48 HydrophobicContact CG2-CD1 4.19Å; I41-I48 HydrophobicContact CG2-CG2 3.81Å; S42-I48 CarbonylContact O-C 3.53Å; S42-I48 WeakPolarHBondContact O-CA 3.28Å; I43-I48 HydrophobicContact CG1-CG1 4.3Å; I43-I48 HydrophobicContact CG1-CG2 4.02Å; I43-I48 HydrophobicContact CG2-CG1 4.37Å; I48-V50 HydrophobicContact CG2-CG2 3.96Å
49	F	88.6	Confident	86.5	Confident	33 Å²	33	41 Å²	41	15%	0.145	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	129.1	168.8	-68.5	-94.3	0	0	0	108.5	V12 V13 I41 S42 V47 D84	V12-F49 WeakPolarHBondContact O-CA 2.9Å; V13-F49 HydrophobicContact CG1-CE1 4.38Å; V13-F49 HydrophobicContact CG1-CZ 4.39Å; V13-F49 HydrophobicContact CG2-CD1 3.79Å; V13-F49 HydrophobicContact CG2-CE1 3.49Å; V13-F49 VanDerWaalsContact CG2-CE1 3.49Å; V13-F49 HydrophobicContact CG2-CZ 4.26Å; I41-F49 CarbonylContact C-O 3.57Å; I41-F49 WeakPolarHBondContact CA-O 3.46Å; S42-F49 PolarHBondContact N-O 3.28Å; S42-F49 PolarHBondContact O-N 2.81Å; V47-F49 HydrophobicContact CB-CE2 4.42Å; V47-F49 HydrophobicContact CG1-CD2 4.09Å; V47-F49 HydrophobicContact CG1-CE2 3.56Å; V47-F49 HydrophobicContact CG1-CZ 4.07Å; F49-D84 HydrophobicContact CE1-CB 3.59Å; F49-D84 HydrophobicContact CZ-CB 3.63Å; F49-D84 VanDerWaalsContact CZ-O 3.32Å; F49-D84 WeakPolarHBondContact CZ-O 3.43Å
50	V	91.6	Very high	86.8	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	123.4	174	-177.2	0	0	0	0	107.5	S11 V12 I14 V28 L32 I38 I41 I48 F52	S11-V50 CarbonylContact C-O 3.24Å; S11-V50 WeakPolarHBondContact CA-O 3.47Å; V12-V50 HydrophobicContact CG2-CB 3.79Å; V12-V50 HydrophobicContact CG2-CG2 4.47Å; V12-V50 PolarHBondContact N-O 3.44Å; V12-V50 PolarHBondContact O-N 3.47Å; I14-V50 HydrophobicContact CD1-CG2 3.88Å; V28-V50 HydrophobicContact CG1-CG2 3.84Å; L32-V50 HydrophobicContact CD1-CB 4.23Å; L32-V50 HydrophobicContact CD1-CG1 3.95Å; L32-V50 HydrophobicContact CD1-CG2 3.83Å; I38-V50 HydrophobicContact CD1-CG1 4.2Å; I38-V50 HydrophobicContact CG1-CG1 4.03Å; I38-V50 HydrophobicContact CG2-CG1 3.73Å; I41-V50 HydrophobicContact CG1-CG1 4.36Å; I41-V50 HydrophobicContact CG1-CG2 4.43Å; I41-V50 HydrophobicContact CG2-CG2 4.45Å; I48-V50 HydrophobicContact CG2-CG2 3.96Å; V50-F52 HydrophobicContact CB-CE2 4.31Å; V50-F52 HydrophobicContact CG1-CD2 4.22Å; V50-F52 HydrophobicContact CG1-CE2 3.7Å; V50-F52 HydrophobicContact CG1-CZ 3.9Å
51	E	91	Very high	87.1	Confident	71 Å²	71	39.8 Å²	39.8	33%	0.332	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.4	175	-173.3	-177.8	-175.7	0	0	109.1	I38 K39 S40	I38-E51 CarbonylContact C-O 3.59Å; K39-E51 HydrophobicContact CB-CB 4.47Å; K39-E51 HydrophobicContact CB-CG 4.33Å; K39-E51 HydrophobicContact CD-CG 4.27Å; K39-E51 PolarHBondContact N-O 2.79Å; S40-E51 PolarHBondContact N-O 3.2Å; S40-E51 PolarHBondContact O-N 3.01Å; S40-E51 WeakPolarHBondContact OG-CB 3.46Å; S40-E51 PolarHBondContact OG-OE2 3.19Å
52	F	93	Very high	87.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	165.5	175.2	-70.1	-87.9	0	0	0	111.6	C10 V12 L32 V37 I38 V50 A57 A58 V61	C10-F52 VanDerWaalsContact CB-O 3.3Å; C10-F52 WeakPolarHBondContact CB-O 3.43Å; C10-F52 WeakPolarHBondContact O-CB 3.3Å; C10-F52 PolarHBondContact O-N 2.94Å; V12-F52 HydrophobicContact CG1-CE2 4.38Å; V12-F52 HydrophobicContact CG2-CE2 3.89Å; L32-F52 HydrophobicContact CB-CE1 4.4Å; L32-F52 HydrophobicContact CB-CZ 4.04Å; L32-F52 HydrophobicContact CD1-CZ 4.12Å; V37-F52 CarbonylContact O-C 3.59Å; V37-F52 WeakPolarHBondContact O-CA 3.44Å; I38-F52 HydrophobicContact CD1-CE1 4.16Å; I38-F52 HydrophobicContact CG1-CD1 3.8Å; I38-F52 HydrophobicContact CG1-CE1 3.49Å; I38-F52 VanDerWaalsContact CG1-CE1 3.49Å; I38-F52 HydrophobicContact CG1-CZ 4.11Å; V50-F52 HydrophobicContact CB-CE2 4.31Å; V50-F52 HydrophobicContact CG1-CD2 4.22Å; V50-F52 HydrophobicContact CG1-CE2 3.7Å; V50-F52 HydrophobicContact CG1-CZ 3.9Å; F52-A57 HydrophobicContact CB-CB 4.04Å; F52-A57 HydrophobicContact CD1-CB 3.75Å; F52-A57 HydrophobicContact CE1-CB 4.41Å; F52-A57 HydrophobicContact CG-CB 3.92Å; F52-A58 HydrophobicContact CD2-CB 4.1Å; F52-V61 HydrophobicContact CE1-CG2 4.4Å; F52-V61 HydrophobicContact CE2-CG2 4.1Å; F52-V61 HydrophobicContact CZ-CG2 3.69Å
53	E	90.6	Very high	87.8	Confident	119 Å²	119	45.7 Å²	45.7	56%	0.556	23%	0.234	S	C	*	.	S	Bend	trans	-78.2	-25.9	170.5	-166.9	169.1	-166.1	0	0	112.8	V37 K39	V37-E53 HydrophobicContact CB-CB 4.12Å; V37-E53 WeakPolarHBondContact CB-OE2 3.45Å; V37-E53 PolarHBondContact O-N 3.34Å; K39-E53 HydrophobicContact CG-CB 4.47Å
54	S	91.6	Very high	88.4	Confident	55 Å²	55	47.1 Å²	47.1	39%	0.385	25%	0.245	S	C	.	.			trans	-121.4	134.2	-178.8	-179	0	0	0	0	111.6	S56 A57 A58	S54-S56 VanDerWaalsContact C-N 3.26Å; S54-S56 PolarHBondContact O-N 2.97Å; S54-S56 PolarHBondContact OG-N 2.76Å; S54-A57 WeakPolarHBondContact O-CB 3.41Å; S54-A57 PolarHBondContact O-N 2.83Å; S54-A57 VanDerWaalsContact O-N 3.13Å; S54-A58 PolarHBondContact O-N 3.3Å
55	P	91.5	Very high	89.3	Confident	49 Å²	49	47.5 Å²	47.5	32%	0.318	25%	0.248	S	C	.	.	H	α-helix	trans	-64.5	-31.6	174.8	23.9	-29.7	0	0	0	112.2	A57 A58 E59	P55-A57 PolarHBondContact O-N 3.45Å; P55-A58 WeakPolarHBondContact O-CB 3.49Å; P55-A58 PolarHBondContact O-N 3.35Å; P55-A58 VanDerWaalsContact O-N 3.16Å; P55-E59 PolarHBondContact O-N 2.84Å
56	S	93	Very high	90.2	Very high	61 Å²	61	47.2 Å²	47.2	43%	0.427	25%	0.253	S	S	.	.	H	α-helix	trans	-63.6	-31.1	175	-176.9	0	0	0	0	112.4	S54 N60	S54-S56 VanDerWaalsContact C-N 3.26Å; S54-S56 PolarHBondContact O-N 2.97Å; S54-S56 PolarHBondContact OG-N 2.76Å; S56-N60 WeakPolarHBondContact O-CB 3.25Å; S56-N60 PolarHBondContact O-N 3.13Å; S56-N60 PolarHBondContact O-ND2 2.83Å; S56-N60 VanDerWaalsContact O-ND2 3.08Å
57	A	94.1	Very high	90.6	Very high	4 Å²	4	44.9 Å²	44.9	3%	0.033	26%	0.259	C	S	.	.	H	α-helix	trans	-65.3	-45.5	174.2	0	0	0	0	0	111.1	F35 F52 S54 P55 N60 V61	F35-A57 WeakPolarHBondContact O-CB 3.18Å; F52-A57 HydrophobicContact CB-CB 4.04Å; F52-A57 HydrophobicContact CD1-CB 3.75Å; F52-A57 HydrophobicContact CE1-CB 4.41Å; F52-A57 HydrophobicContact CG-CB 3.92Å; S54-A57 WeakPolarHBondContact O-CB 3.41Å; S54-A57 PolarHBondContact O-N 2.83Å; S54-A57 VanDerWaalsContact O-N 3.13Å; P55-A57 PolarHBondContact O-N 3.45Å; A57-N60 PolarHBondContact O-N 3.47Å; A57-V61 VanDerWaalsContact O-CG2 3.28Å; A57-V61 WeakPolarHBondContact O-CG2 3.37Å; A57-V61 PolarHBondContact O-N 2.86Å
58	A	93.1	Very high	90.9	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.008	28%	0.278	C	S	.	.	H	α-helix	trans	-60.3	-46.9	177.3	0	0	0	0	0	111.9	V12 F52 S54 P55 N60 V61 I62	V12-A58 HydrophobicContact CG1-CB 3.62Å; V12-A58 WeakPolarHBondContact CG1-O 3.31Å; F52-A58 HydrophobicContact CD2-CB 4.1Å; S54-A58 PolarHBondContact O-N 3.3Å; P55-A58 WeakPolarHBondContact O-CB 3.49Å; P55-A58 PolarHBondContact O-N 3.35Å; P55-A58 VanDerWaalsContact O-N 3.16Å; A58-N60 PolarHBondContact O-N 3.37Å; A58-V61 PolarHBondContact O-N 2.98Å; A58-I62 WeakPolarHBondContact O-CG1 3.04Å; A58-I62 PolarHBondContact O-N 2.74Å
59	E	92.9	Very high	90.8	Very high	123 Å²	123	54.5 Å²	54.5	58%	0.575	30%	0.303	S	S	*	.	H	α-helix	trans	-63.1	-42.8	178.6	-164.6	-178.5	-164.8	0	0	111.9	P55 V61 I62 T63	P55-E59 PolarHBondContact O-N 2.84Å; E59-V61 VanDerWaalsContact C-N 3.34Å; E59-V61 PolarHBondContact O-N 2.83Å; E59-I62 PolarHBondContact O-N 3.08Å; E59-T63 WeakPolarHBondContact O-CB 3.49Å; E59-T63 PolarHBondContact O-N 3.2Å; E59-T63 PolarHBondContact O-OG1 2.99Å
60	N	93.9	Very high	90.5	Very high	79 Å²	79	54 Å²	54	42%	0.422	30%	0.301	S	S	.	.	H	α-helix	trans	-61.4	-42.9	176.3	-76.4	-29.6	0	0	0	111.4	F35 S56 A57 A58 T63 S64	F35-N60 HydrophobicContact CD1-CB 4.21Å; S56-N60 WeakPolarHBondContact O-CB 3.25Å; S56-N60 PolarHBondContact O-N 3.13Å; S56-N60 PolarHBondContact O-ND2 2.83Å; S56-N60 VanDerWaalsContact O-ND2 3.08Å; A57-N60 PolarHBondContact O-N 3.47Å; A58-N60 PolarHBondContact O-N 3.37Å; N60-T63 PolarHBondContact O-N 3.36Å; N60-S64 VanDerWaalsContact O-CB 3.3Å; N60-S64 WeakPolarHBondContact O-CB 3.18Å; N60-S64 PolarHBondContact O-N 3.35Å; N60-S64 PolarHBondContact O-OG 3.27Å
61	V	95	Very high	90.1	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-60.7	-48.6	176.6	170.9	0	0	0	0	110.9	V12 L32 F35 F52 A57 A58 E59 T63 S64 E65 I77	V12-V61 HydrophobicContact CG2-CG1 4.47Å; L32-V61 HydrophobicContact CD2-CG1 3.71Å; L32-V61 HydrophobicContact CD2-CG2 4.1Å; F35-V61 HydrophobicContact CB-CG2 3.4Å; F35-V61 HydrophobicContact CD1-CG2 3.88Å; F35-V61 HydrophobicContact CD2-CG2 3.58Å; F35-V61 HydrophobicContact CE2-CG2 4.31Å; F35-V61 HydrophobicContact CG-CG2 3.32Å; F52-V61 HydrophobicContact CE1-CG2 4.4Å; F52-V61 HydrophobicContact CE2-CG2 4.1Å; F52-V61 HydrophobicContact CZ-CG2 3.69Å; A57-V61 VanDerWaalsContact O-CG2 3.28Å; A57-V61 WeakPolarHBondContact O-CG2 3.37Å; A57-V61 PolarHBondContact O-N 2.86Å; A58-V61 PolarHBondContact O-N 2.98Å; E59-V61 VanDerWaalsContact C-N 3.34Å; E59-V61 PolarHBondContact O-N 2.83Å; V61-T63 VanDerWaalsContact C-N 3.29Å; V61-T63 PolarHBondContact O-N 2.8Å; V61-S64 PolarHBondContact O-N 2.74Å; V61-E65 WeakPolarHBondContact O-CB 3.34Å; V61-E65 PolarHBondContact O-N 3.11Å; V61-I77 HydrophobicContact CG1-CD1 4.11Å; V61-I77 HydrophobicContact CG1-CG2 4.2Å
62	I	92.7	Very high	89.4	Confident	32 Å²	32	61.2 Å²	61.2	16%	0.164	34%	0.34	C	S	.	.	H	α-helix	trans	-58	-45.6	177.9	-67.6	161.4	0	0	0	110.2	V12 A58 E59 S64 N66 I77 S79	V12-I62 HydrophobicContact CB-CG1 4.43Å; V12-I62 HydrophobicContact CG1-CD1 3.87Å; V12-I62 HydrophobicContact CG1-CG1 3.77Å; A58-I62 WeakPolarHBondContact O-CG1 3.04Å; A58-I62 PolarHBondContact O-N 2.74Å; E59-I62 PolarHBondContact O-N 3.08Å; I62-S64 PolarHBondContact O-N 2.9Å; I62-N66 WeakPolarHBondContact O-CB 3.3Å; I62-N66 PolarHBondContact O-N 2.94Å; I62-I77 HydrophobicContact CG1-CG2 3.96Å; I62-S79 VanDerWaalsContact CD1-OG 3.31Å; I62-S79 WeakPolarHBondContact CD1-OG 3.32Å
63	T	92.5	Very high	88.6	Confident	113 Å²	113	61.7 Å²	61.7	69%	0.693	34%	0.343	S	S	*	.	H	α-helix	trans	-73	-31.3	-173.8	-43.4	0	0	0	0	112.7	E59 N60 V61	E59-T63 WeakPolarHBondContact O-CB 3.49Å; E59-T63 PolarHBondContact O-N 3.2Å; E59-T63 PolarHBondContact O-OG1 2.99Å; N60-T63 PolarHBondContact O-N 3.36Å; V61-T63 VanDerWaalsContact C-N 3.29Å; V61-T63 PolarHBondContact O-N 2.8Å
64	S	92.7	Very high	88.1	Confident	45 Å²	45	63.5 Å²	63.5	32%	0.315	35%	0.346	S	S	.	.	H	α-helix	trans	-104.8	-26.8	-171.1	61.4	0	0	0	0	114.8	F35 N60 V61 I62 K68	F35-S64 WeakPolarHBondContact CE1-OG 3.43Å; N60-S64 VanDerWaalsContact O-CB 3.3Å; N60-S64 WeakPolarHBondContact O-CB 3.18Å; N60-S64 PolarHBondContact O-N 3.35Å; N60-S64 PolarHBondContact O-OG 3.27Å; V61-S64 PolarHBondContact O-N 2.74Å; I62-S64 PolarHBondContact O-N 2.9Å; S64-K68 WeakPolarHBondContact O-CD 3.4Å; S64-K68 WeakPolarHBondContact O-CE 3.38Å; S64-K68 PolarHBondContact O-NZ 2.85Å
65	E	91.8	Very high	87.7	Confident	24 Å²	24	61 Å²	61	11%	0.112	33%	0.328	C	S	.	.	H	α-helix	trans	-110.7	-12.2	-176	-66.1	-60.1	115.2	0	0	113.9	W31 F35 V61 G67 K68 I77	W31-E65 HydrophobicContact CZ2-CB 4Å; W31-E65 HydrophobicContact CZ2-CG 4.31Å; W31-E65 PolarHBondContact NE1-OE2 3.29Å; F35-E65 HydrophobicContact CE1-CG 4.44Å; F35-E65 HydrophobicContact CE2-CG 3.69Å; F35-E65 HydrophobicContact CZ-CG 3.45Å; F35-E65 VanDerWaalsContact CZ-CG 3.45Å; V61-E65 WeakPolarHBondContact O-CB 3.34Å; V61-E65 PolarHBondContact O-N 3.11Å; E65-G67 PolarHBondContact O-N 2.98Å; E65-K68 WeakPolarHBondContact O-CB 3.5Å; E65-K68 PolarHBondContact O-N 3.21Å; E65-K68 VanDerWaalsContact O-N 3.08Å; E65-K68 WeakPolarHBondContact OE1-CD 3.3Å; E65-K68 IonicContact OE1-NZ 2.72Å; E65-K68 PolarHBondContact OE1-NZ 3.38Å; E65-I77 HydrophobicContact CB-CD1 3.54Å
66	N	88.6	Confident	87.4	Confident	83 Å²	83	60.4 Å²	60.4	44%	0.444	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	130.8	173.8	-174.9	27.1	0	0	0	111.3	I62 K68 S76 I77	I62-N66 WeakPolarHBondContact O-CB 3.3Å; I62-N66 PolarHBondContact O-N 2.94Å; N66-K68 VanDerWaalsContact C-N 3.26Å; N66-K68 PolarHBondContact O-N 3.15Å; N66-S76 WeakPolarHBondContact OD1-CA 3.46Å; N66-I77 HydrophobicContact CB-CB 4.06Å; N66-I77 VanDerWaalsContact CG-O 3.23Å; N66-I77 PolarHBondContact ND2-O 3.2Å; N66-I77 PolarHBondContact OD1-N 3.33Å; N66-I77 PolarHBondContact OD1-O 3.05Å
67	G	81.4	Confident	87.3	Confident	47 Å²	47	57.6 Å²	57.6	49%	0.485	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	5.1	-177	0	0	0	0	0	114.7	E65 Y74 V75	E65-G67 PolarHBondContact O-N 2.98Å; G67-Y74 WeakPolarHBondContact O-CD1 3.37Å; G67-V75 VanDerWaalsContact CA-O 3.25Å; G67-V75 WeakPolarHBondContact CA-O 3.38Å; G67-V75 PolarHBondContact N-O 3.19Å
68	K	83.7	Confident	87	Confident	97 Å²	97	59.8 Å²	59.8	42%	0.422	31%	0.312	S	S	.	.			trans	-86.1	170.4	175	-72	-161.8	-175.8	156.1	0	112.5	S64 E65 N66 Y74 V75	S64-K68 WeakPolarHBondContact O-CD 3.4Å; S64-K68 WeakPolarHBondContact O-CE 3.38Å; S64-K68 PolarHBondContact O-NZ 2.85Å; E65-K68 WeakPolarHBondContact O-CB 3.5Å; E65-K68 PolarHBondContact O-N 3.21Å; E65-K68 VanDerWaalsContact O-N 3.08Å; E65-K68 WeakPolarHBondContact OE1-CD 3.3Å; E65-K68 IonicContact OE1-NZ 2.72Å; E65-K68 PolarHBondContact OE1-NZ 3.38Å; N66-K68 VanDerWaalsContact C-N 3.26Å; N66-K68 PolarHBondContact O-N 3.15Å; K68-Y74 CarbonylContact O-C 3.57Å; K68-Y74 VanDerWaalsContact O-CA 3.3Å; K68-Y74 WeakPolarHBondContact O-CA 3.37Å; K68-V75 WeakPolarHBondContact O-CG2 3.48Å; K68-V75 PolarHBondContact O-N 2.93Å
69	M	83.1	Confident	86.6	Confident	109 Å²	109	61.8 Å²	61.8	54%	0.537	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	123.6	179.8	-146.3	-171.9	-152.5	0	0	110.7	S73 Y74	M69-S73 CarbonylContact C-O 3.51Å; M69-S73 VanDerWaalsContact CA-O 3.28Å; M69-S73 WeakPolarHBondContact CA-O 3.34Å; M69-Y74 HydrophobicContact CB-CD1 4.38Å; M69-Y74 HydrophobicContact CB-CE1 4.28Å; M69-Y74 HydrophobicContact CE-CE2 4.21Å; M69-Y74 HydrophobicContact CG-CE1 4.46Å
70	F	83.7	Confident	86	Confident	21 Å²	21	56.6 Å²	56.6	9%	0.092	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.8	170.6	175.2	-111.5	0	0	0	109.2	L17 L23 V28 W31 N72 S73 V75	L17-F70 HydrophobicContact CD1-CD1 4.1Å; L17-F70 HydrophobicContact CD1-CE1 4.39Å; L17-F70 HydrophobicContact CD2-CD1 3.72Å; L17-F70 HydrophobicContact CD2-CE1 4.33Å; L23-F70 HydrophobicContact CD1-CE1 3.76Å; L23-F70 HydrophobicContact CD1-CZ 4.09Å; V28-F70 HydrophobicContact CG2-CE1 4.33Å; V28-F70 HydrophobicContact CG2-CZ 4.38Å; W31-F70 HydrophobicContact CB-CD2 4.05Å; W31-F70 HydrophobicContact CB-CE2 3.59Å; W31-F70 HydrophobicContact CB-CZ 4.35Å; W31-F70 HydrophobicContact CD2-CB 4.34Å; W31-F70 HydrophobicContact CD2-CD1 4.43Å; W31-F70 AromaticContact CD2-CD2 3.42Å; W31-F70 HydrophobicContact CD2-CD2 3.42Å; W31-F70 VanDerWaalsContact CD2-CD2 3.42Å; W31-F70 AromaticContact CD2-CE2 3.74Å; W31-F70 HydrophobicContact CD2-CE2 3.74Å; W31-F70 AromaticContact CD2-CG 3.82Å; W31-F70 HydrophobicContact CD2-CG 3.82Å; W31-F70 HydrophobicContact CD2-CZ 4.37Å; W31-F70 AromaticContact CE2-CD2 3.93Å; W31-F70 HydrophobicContact CE3-CB 4.42Å; W31-F70 AromaticContact CE3-CD1 3.86Å; W31-F70 HydrophobicContact CE3-CD1 3.86Å; W31-F70 AromaticContact CE3-CD2 3.65Å; W31-F70 HydrophobicContact CE3-CD2 3.65Å; W31-F70 AromaticContact CE3-CE1 3.97Å; W31-F70 HydrophobicContact CE3-CE1 3.97Å; W31-F70 AromaticContact CE3-CE2 3.77Å; W31-F70 HydrophobicContact CE3-CE2 3.77Å; W31-F70 AromaticContact CE3-CG 3.71Å; W31-F70 HydrophobicContact CE3-CG 3.71Å; W31-F70 AromaticContact CE3-CZ 3.92Å; W31-F70 HydrophobicContact CE3-CZ 3.92Å; W31-F70 AromaticContact CG-CD2 3.6Å; W31-F70 HydrophobicContact CG-CD2 3.6Å; W31-F70 AromaticContact CG-CE2 3.68Å; W31-F70 HydrophobicContact CG-CE2 3.68Å; W31-F70 HydrophobicContact CG-CG 4.46Å; W31-F70 HydrophobicContact CH2-CB 4.11Å; W31-F70 HydrophobicContact CH2-CD1 4.47Å; W31-F70 HydrophobicContact CH2-CG 4.22Å; W31-F70 HydrophobicContact CZ2-CB 3.98Å; W31-F70 HydrophobicContact CZ2-CG 4.3Å; W31-F70 HydrophobicContact CZ3-CB 4.29Å; W31-F70 AromaticContact CZ3-CD1 3.87Å; W31-F70 HydrophobicContact CZ3-CD1 3.87Å; W31-F70 HydrophobicContact CZ3-CD2 4.32Å; W31-F70 HydrophobicContact CZ3-CE1 4.27Å; W31-F70 AromaticContact CZ3-CG 3.91Å; W31-F70 HydrophobicContact CZ3-CG 3.91Å; F70-N72 VanDerWaalsContact C-N 3.29Å; F70-N72 PolarHBondContact O-N 3.24Å; F70-S73 PolarHBondContact N-O 3.31Å; F70-S73 PolarHBondContact O-N 3.37Å; F70-V75 HydrophobicContact CB-CG1 3.89Å
71	Q	82.3	Confident	85	Confident	77 Å²	77	56 Å²	56	36%	0.36	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	43.3	51.1	-175.1	-64.3	-164.2	-7.5	0	0	114	L23 S73	L23-Q71 VanDerWaalsContact CD1-OE1 3.23Å; Q71-S73 PolarHBondContact O-N 2.65Å; Q71-S73 VanDerWaalsContact O-N 3.15Å
72	N	77	Confident	83	Confident	147 Å²	147	59.9 Å²	59.9	79%	0.786	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.4	14.7	179	-60.8	61	0	0	0	115.1	F70	F70-N72 VanDerWaalsContact C-N 3.29Å; F70-N72 PolarHBondContact O-N 3.24Å
73	S	75	Confident	81.2	Confident	9 Å²	9	63.6 Å²	63.6	6%	0.063	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	143.2	173.6	-52.1	0	0	0	0	109.9	V18 M69 F70 Q71	V18-S73 PolarHBondContact N-OG 2.71Å; M69-S73 CarbonylContact C-O 3.51Å; M69-S73 VanDerWaalsContact CA-O 3.28Å; M69-S73 WeakPolarHBondContact CA-O 3.34Å; F70-S73 PolarHBondContact N-O 3.31Å; F70-S73 PolarHBondContact O-N 3.37Å; Q71-S73 PolarHBondContact O-N 2.65Å; Q71-S73 VanDerWaalsContact O-N 3.15Å
74	Y	80.1	Confident	79.5	Confident	157 Å²	157	58.2 Å²	58.2	62%	0.616	30%	0.302	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.3	128.7	166.9	-71.7	-80.3	0	0	0	108.6	G67 K68 M69	G67-Y74 WeakPolarHBondContact O-CD1 3.37Å; K68-Y74 CarbonylContact O-C 3.57Å; K68-Y74 VanDerWaalsContact O-CA 3.3Å; K68-Y74 WeakPolarHBondContact O-CA 3.37Å; M69-Y74 HydrophobicContact CB-CD1 4.38Å; M69-Y74 HydrophobicContact CB-CE1 4.28Å; M69-Y74 HydrophobicContact CE-CE2 4.21Å; M69-Y74 HydrophobicContact CG-CE1 4.46Å
75	V	83.7	Confident	77.4	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.018	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-101.4	142.3	-175.1	-62.9	0	0	0	0	111.4	I14 L17 W31 G67 K68 F70 I77	I14-V75 HydrophobicContact CG2-CB 4.13Å; I14-V75 HydrophobicContact CG2-CG1 4.29Å; L17-V75 HydrophobicContact CD1-CG1 4.14Å; L17-V75 HydrophobicContact CD2-CG1 4.08Å; L17-V75 HydrophobicContact CG-CG1 3.84Å; W31-V75 HydrophobicContact CH2-CG2 3.84Å; W31-V75 HydrophobicContact CZ2-CG2 4.13Å; G67-V75 VanDerWaalsContact CA-O 3.25Å; G67-V75 WeakPolarHBondContact CA-O 3.38Å; G67-V75 PolarHBondContact N-O 3.19Å; K68-V75 WeakPolarHBondContact O-CG2 3.48Å; K68-V75 PolarHBondContact O-N 2.93Å; F70-V75 HydrophobicContact CB-CG1 3.89Å; V75-I77 HydrophobicContact CB-CG1 4.46Å; V75-I77 HydrophobicContact CG2-CD1 4.03Å; V75-I77 HydrophobicContact CG2-CG1 3.98Å
76	S	84.5	Confident	75	Confident	36 Å²	36	66.7 Å²	66.7	25%	0.252	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.8	166.2	179.6	0	0	0	0	108.3	I14 E15 D16 N66	I14-S76 CarbonylContact C-O 3.57Å; I14-S76 WeakPolarHBondContact CA-O 3.48Å; E15-S76 PolarHBondContact N-O 3.47Å; E15-S76 PolarHBondContact O-N 2.76Å; D16-S76 VanDerWaalsContact OD2-CB 3.25Å; D16-S76 WeakPolarHBondContact OD2-CB 3.05Å; N66-S76 WeakPolarHBondContact OD1-CA 3.46Å
77	I	90.5	Very high	72.8	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.8	179.2	-47.4	179.3	0	0	0	109.3	V12 V13 I14 W31 V61 I62 E65 N66 V75	V12-I77 HydrophobicContact CB-CG2 4.11Å; V12-I77 HydrophobicContact CG2-CG2 4.47Å; V13-I77 WeakPolarHBondContact O-CA 3.49Å; I14-I77 HydrophobicContact CG1-CG1 4.29Å; I14-I77 HydrophobicContact CG1-CG2 4.23Å; I14-I77 HydrophobicContact CG2-CG1 4.31Å; W31-I77 HydrophobicContact CH2-CD1 3.79Å; W31-I77 HydrophobicContact CZ2-CD1 4.19Å; V61-I77 HydrophobicContact CG1-CD1 4.11Å; V61-I77 HydrophobicContact CG1-CG2 4.2Å; I62-I77 HydrophobicContact CG1-CG2 3.96Å; E65-I77 HydrophobicContact CB-CD1 3.54Å; N66-I77 HydrophobicContact CB-CB 4.06Å; N66-I77 VanDerWaalsContact CG-O 3.23Å; N66-I77 PolarHBondContact ND2-O 3.2Å; N66-I77 PolarHBondContact OD1-N 3.33Å; N66-I77 PolarHBondContact OD1-O 3.05Å; V75-I77 HydrophobicContact CB-CG1 4.46Å; V75-I77 HydrophobicContact CG2-CD1 4.03Å; V75-I77 HydrophobicContact CG2-CG1 3.98Å
78	R	88.3	Confident	70.8	Confident	50 Å²	50	64 Å²	64	19%	0.189	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	162.3	-176.9	60.7	-178.9	-178.3	78.5	-0.4	112.2	V13 E15 D84 Y137	V13-R78 HydrophobicContact CB-CG 4.17Å; V13-R78 PolarHBondContact N-O 2.5Å; V13-R78 PolarHBondContact O-N 3.22Å; E15-R78 IonicContact OE2-CZ 3.71Å; E15-R78 IonicContact OE2-NE 3.39Å; E15-R78 PolarHBondContact OE2-NE 2.76Å; E15-R78 IonicContact OE2-NH2 2.68Å; E15-R78 PolarHBondContact OE2-NH2 3Å; R78-D84 IonicContact CZ-OD1 3.31Å; R78-D84 IonicContact CZ-OD2 3.36Å; R78-D84 IonicContact NH1-OD1 2.65Å; R78-D84 IonicContact NH1-OD2 3.59Å; R78-D84 PolarHBondContact NH1-OD2 3.04Å; R78-D84 IonicContact NH2-OD1 3.59Å; R78-D84 PolarHBondContact NH2-OD1 2.77Å; R78-D84 IonicContact NH2-OD2 2.67Å; R78-D84 PolarHBondContact NH2-OD2 3.22Å; R78-Y137 PolarHBondContact NH2-OH 3.35Å
79	S	85.7	Confident	68.2	Low	43 Å²	43	62.2 Å²	62.2	30%	0.301	33%	0.334	S	S	.	.			trans	-64.5	145.5	168.9	-50.3	0	0	0	0	110.6	I62	I62-S79 VanDerWaalsContact CD1-OG 3.31Å; I62-S79 WeakPolarHBondContact CD1-OG 3.32Å
80	P	79.3	Confident	65.9	Low	14 Å²	14	63.4 Å²	63.4	9%	0.091	34%	0.342	C	S	.	.			trans	-58	140	173.7	-14.6	22.3	0	0	0	110.7	S11 V13 D84	S11-P80 WeakPolarHBondContact O-CD 3.46Å; S11-P80 WeakPolarHBondContact O-CG 3.32Å; V13-P80 HydrophobicContact CG2-CB 3.99Å; V13-P80 HydrophobicContact CG2-CG 4.12Å; P80-D84 WeakPolarHBondContact CA-OD2 3.48Å
81	Q	72.7	Confident	63.7	Low	68 Å²	68	67.9 Å²	67.9	32%	0.318	37%	0.367	S	S	.	.			trans	-106.8	158.3	173.5	-62	-63.2	-45	0	0	108.8	W83 D84	Q81-W83 HydrophobicContact CB-CD2 3.63Å; Q81-W83 HydrophobicContact CB-CE3 3.96Å; Q81-W83 HydrophobicContact CB-CG 4.3Å; Q81-W83 HydrophobicContact CB-CH2 3.68Å; Q81-W83 HydrophobicContact CB-CZ2 3.33Å; Q81-W83 HydrophobicContact CB-CZ3 3.97Å; Q81-W83 HydrophobicContact CG-CH2 3.8Å; Q81-W83 HydrophobicContact CG-CZ2 3.41Å; Q81-W83 VanDerWaalsContact CG-CZ2 3.41Å; Q81-W83 PolarHBondContact O-N 2.83Å; Q81-D84 WeakPolarHBondContact CB-OD2 3.4Å; Q81-D84 PolarHBondContact N-OD2 3.15Å; Q81-D84 VanDerWaalsContact O-CB 3.3Å; Q81-D84 WeakPolarHBondContact O-CB 3.37Å; Q81-D84 PolarHBondContact O-N 3.38Å
82	P	53.6	Low	61.9	Low	80 Å²	80	67 Å²	67	52%	0.519	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.2	-176.1	-28.1	35.2	0	0	0	114.6
83	W	54.6	Low	60.7	Low	110 Å²	110	64.8 Å²	64.8	42%	0.417	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-20.9	178.2	53.2	82.1	0	0	0	113.9	Q81 L85 M86 H134	Q81-W83 HydrophobicContact CB-CD2 3.63Å; Q81-W83 HydrophobicContact CB-CE3 3.96Å; Q81-W83 HydrophobicContact CB-CG 4.3Å; Q81-W83 HydrophobicContact CB-CH2 3.68Å; Q81-W83 HydrophobicContact CB-CZ2 3.33Å; Q81-W83 HydrophobicContact CB-CZ3 3.97Å; Q81-W83 HydrophobicContact CG-CH2 3.8Å; Q81-W83 HydrophobicContact CG-CZ2 3.41Å; Q81-W83 VanDerWaalsContact CG-CZ2 3.41Å; Q81-W83 PolarHBondContact O-N 2.83Å; W83-L85 VanDerWaalsContact C-N 3.29Å; W83-L85 PolarHBondContact O-N 2.83Å; W83-M86 PolarHBondContact O-N 2.8Å; W83-H134 PolarHBondContact O-NE2 3.18Å
84	D	57.9	Low	60	Low	1 Å²	1	70.3 Å²	70.3	1%	0.005	38%	0.381	C	S	.	.	G	3₁₀ helix	trans	-69.4	-30.7	-178.4	-66.7	-36.3	0	0	0	112.1	V13 F49 R78 P80 Q81 M86 V87	V13-D84 HydrophobicContact CG2-CB 4.44Å; F49-D84 HydrophobicContact CE1-CB 3.59Å; F49-D84 HydrophobicContact CZ-CB 3.63Å; F49-D84 VanDerWaalsContact CZ-O 3.32Å; F49-D84 WeakPolarHBondContact CZ-O 3.43Å; R78-D84 IonicContact CZ-OD1 3.31Å; R78-D84 IonicContact CZ-OD2 3.36Å; R78-D84 IonicContact NH1-OD1 2.65Å; R78-D84 IonicContact NH1-OD2 3.59Å; R78-D84 PolarHBondContact NH1-OD2 3.04Å; R78-D84 IonicContact NH2-OD1 3.59Å; R78-D84 PolarHBondContact NH2-OD1 2.77Å; R78-D84 IonicContact NH2-OD2 2.67Å; R78-D84 PolarHBondContact NH2-OD2 3.22Å; P80-D84 WeakPolarHBondContact CA-OD2 3.48Å; Q81-D84 WeakPolarHBondContact CB-OD2 3.4Å; Q81-D84 PolarHBondContact N-OD2 3.15Å; Q81-D84 VanDerWaalsContact O-CB 3.3Å; Q81-D84 WeakPolarHBondContact O-CB 3.37Å; Q81-D84 PolarHBondContact O-N 3.38Å; D84-M86 VanDerWaalsContact C-N 3.25Å; D84-M86 PolarHBondContact O-N 2.84Å; D84-V87 PolarHBondContact O-N 2.94Å
85	L	48.2	Very low	59.6	Low	133 Å²	133	65.6 Å²	65.6	70%	0.696	36%	0.362	S	S	*	.	G	3₁₀ helix	trans	-70	-20.8	176.3	-73.7	162	0	0	0	112.9	W83 V87	W83-L85 VanDerWaalsContact C-N 3.29Å; W83-L85 PolarHBondContact O-N 2.83Å; L85-V87 VanDerWaalsContact C-N 3.32Å
86	M	40.6	Very low	59.3	Low	114 Å²	114	71.3 Å²	71.3	56%	0.562	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-77	-19.6	177	-69.4	178.9	60.8	0	0	112.5	W83 D84 A88 K130	W83-M86 PolarHBondContact O-N 2.8Å; D84-M86 VanDerWaalsContact C-N 3.25Å; D84-M86 PolarHBondContact O-N 2.84Å; M86-A88 VanDerWaalsContact C-N 3.32Å; M86-K130 HydrophobicContact CE-CD 4.48Å
87	V	42.9	Very low	58.4	Low	16 Å²	16	70.7 Å²	70.7	10%	0.097	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-78.5	-17.3	179.9	-177.8	0	0	0	0	112.3	Y44 D84 L85 G89 Y137	Y44-V87 HydrophobicContact CD1-CG1 3.26Å; Y44-V87 HydrophobicContact CD2-CG1 4.36Å; Y44-V87 HydrophobicContact CE1-CG1 3.36Å; Y44-V87 HydrophobicContact CE2-CG1 4.42Å; Y44-V87 HydrophobicContact CG-CG1 3.8Å; D84-V87 PolarHBondContact O-N 2.94Å; L85-V87 VanDerWaalsContact C-N 3.32Å; V87-G89 PolarHBondContact O-N 3.13Å; V87-Y137 HydrophobicContact CG2-CD2 4.26Å
88	A	39.6	Very low	56.3	Low	58 Å²	58	75.8 Å²	75.8	48%	0.479	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-71.1	5.9	-174.6	0	0	0	0	0	115.1	M86 V92	M86-A88 VanDerWaalsContact C-N 3.32Å; A88-V92 WeakPolarHBondContact O-CG2 2.88Å
89	G	29.5	Very low	54.4	Low	58 Å²	58	77.9 Å²	77.9	60%	0.598	44%	0.435	S	S	*	.	G	3₁₀ helix	trans	-74.9	-49.5	-171.2	0	0	0	0	0	115.8	V87	V87-G89 PolarHBondContact O-N 3.13Å
90	D	33.8	Very low	52.1	Low	135 Å²	135	81.9 Å²	81.9	72%	0.722	46%	0.463	S	S	*	.	S	Bend	trans	-125.9	1.4	-153.3	-76.1	-37.4	0	0	0	117.8
91	L	37	Very low	49.9	Very low	115 Å²	115	85 Å²	85	60%	0.602	49%	0.486	S	S	*	.			trans	-156.6	62.7	171.8	-129.6	114	0	0	0	112.4	Y44	Y44-L91 HydrophobicContact CD2-CB 4.07Å; Y44-L91 WeakPolarHBondContact CD2-O 3.41Å; Y44-L91 HydrophobicContact CE2-CB 3.78Å
92	V	45.9	Very low	48.1	Very low	59 Å²	59	90.2 Å²	90.2	36%	0.358	51%	0.51	S	S	.	.			trans	-100.5	109.3	-175.3	-176.8	0	0	0	0	110.7	A88 K94	A88-V92 WeakPolarHBondContact O-CG2 2.88Å; V92-K94 VanDerWaalsContact C-N 3.33Å; V92-K94 HydrophobicContact CG1-CB 3.86Å; V92-K94 PolarHBondContact O-N 3.35Å
93	T	50.8	Low	46.8	Very low	99 Å²	99	90.3 Å²	90.3	61%	0.607	52%	0.517	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77	93.1	152.6	25	0	0	0	0	107.6	I43	I43-T93 PolarHBondContact N-O 3.02Å
94	K	61.8	Low	45.6	Very low	125 Å²	125	92.4 Å²	92.4	54%	0.543	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	115.4	172.8	-166.1	-176.9	-176.1	-159.3	0	107.9	V92 E96	V92-K94 VanDerWaalsContact C-N 3.33Å; V92-K94 HydrophobicContact CG1-CB 3.86Å; V92-K94 PolarHBondContact O-N 3.35Å; K94-E96 HydrophobicContact CD-CG 4.4Å; K94-E96 WeakPolarHBondContact CE-OE1 3.34Å; K94-E96 HydrophobicContact CG-CG 4.44Å; K94-E96 IonicContact NZ-OE1 3.85Å; K94-E96 PolarHBondContact NZ-OE1 3.31Å
95	Y	71.4	Confident	44.4	Very low	58 Å²	58	102.5 Å²	102.5	23%	0.227	58%	0.581	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.4	111.6	170.4	179.3	-103.4	0	0	0	108.2	P25 E29 S40 I41 V97	P25-Y95 HydrophobicContact CB-CD1 4.02Å; P25-Y95 HydrophobicContact CB-CD2 4.47Å; P25-Y95 HydrophobicContact CB-CG 3.81Å; P25-Y95 HydrophobicContact CG-CD2 4.12Å; P25-Y95 HydrophobicContact CG-CG 3.93Å; E29-Y95 WeakPolarHBondContact OE2-CE1 2.83Å; S40-Y95 WeakPolarHBondContact CA-O 3.36Å; I41-Y95 HydrophobicContact CD1-CD1 4.48Å; I41-Y95 PolarHBondContact N-O 3.43Å; I41-Y95 PolarHBondContact O-N 3.45Å; Y95-V97 HydrophobicContact CD1-CG2 4.08Å; Y95-V97 HydrophobicContact CE1-CB 4.41Å; Y95-V97 HydrophobicContact CE1-CG2 3.83Å
96	E	76.6	Confident	43.3	Very low	124 Å²	124	105.3 Å²	105.3	58%	0.579	59%	0.59	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.2	121.4	169.9	-67.2	-177.9	172.9	0	0	107.8	K94 P98	K94-E96 HydrophobicContact CD-CG 4.4Å; K94-E96 WeakPolarHBondContact CE-OE1 3.34Å; K94-E96 HydrophobicContact CG-CG 4.44Å; K94-E96 IonicContact NZ-OE1 3.85Å; K94-E96 PolarHBondContact NZ-OE1 3.31Å; E96-P98 WeakPolarHBondContact O-CD 3.27Å
97	V	66.3	Low	42.6	Very low	22 Å²	22	104.3 Å²	104.3	13%	0.133	60%	0.6	C	S	.	*			trans	-70.4	123.1	-179.3	-176.5	0	0	0	0	107.7	E29 I38 K39 Y95 T99	E29-V97 HydrophobicContact CG-CG2 4.37Å; E29-V97 WeakPolarHBondContact OE1-CG1 3.4Å; I38-V97 HydrophobicContact CB-CG2 4.2Å; I38-V97 HydrophobicContact CG2-CG2 4.02Å; I38-V97 WeakPolarHBondContact O-CB 3.46Å; I38-V97 VanDerWaalsContact O-CG2 3.3Å; I38-V97 WeakPolarHBondContact O-CG2 3.34Å; K39-V97 PolarHBondContact O-N 3.46Å; Y95-V97 HydrophobicContact CD1-CG2 4.08Å; Y95-V97 HydrophobicContact CE1-CB 4.41Å; Y95-V97 HydrophobicContact CE1-CG2 3.83Å; V97-T99 PolarHBondContact O-N 2.97Å
98	P	46.4	Very low	41.9	Very low	110 Å²	110	111.5 Å²	111.5	71%	0.714	64%	0.638	S	S	*	*			trans	-70	93.7	-177.7	-10.1	23.4	0	0	0	110.5	E96	E96-P98 WeakPolarHBondContact O-CD 3.27Å
99	T	47.2	Very low	41.3	Very low	93 Å²	93	114.8 Å²	114.8	57%	0.571	65%	0.652	S	S	*	*			trans	-75.8	126.1	168.9	43.4	0	0	0	0	109.6	V37 V97 S101	V37-T99 HydrophobicContact CG1-CG2 4.38Å; V97-T99 PolarHBondContact O-N 2.97Å; T99-S101 PolarHBondContact O-N 3.23Å
100	S	37.7	Very low	41.3	Very low	127 Å²	127	121.3 Å²	121.3	89%	0.888	67%	0.666	S	S	*	*	S	Bend	trans	-71.4	71.7	173.8	59.8	0	0	0	0	111
101	S	33.3	Very low	40.9	Very low	80 Å²	80	120.1 Å²	120.1	56%	0.559	66%	0.664	S	S	*	*			trans	-168.7	109.5	167.6	176	0	0	0	0	109.8	T99	T99-S101 PolarHBondContact O-N 3.23Å
102	E	34.9	Very low	40.3	Very low	177 Å²	177	123 Å²	123	83%	0.827	67%	0.672	S	S	*	*			trans	58	105.2	141.8	-62.5	168.2	175.7	0	0	118.3
103	A	26.4	Very low	39.4	Very low	82 Å²	82	127.7 Å²	127.7	68%	0.678	69%	0.694	S	S	*	*				60.4	106.8	81.3	0	0	0	0	0	114.2
104	N	28.3	Very low	38.3	Very low	155 Å²	155	131.2 Å²	131.2	83%	0.829	70%	0.704	S	S	*	*			trans	78.1	107.6	163.5	-47.7	-36	0	0	0	116.9
105	K	33.5	Very low	36.6	Very low	213 Å²	213	133.1 Å²	133.1	93%	0.926	72%	0.72	S	S	*	*				-159.5	134.9	122.2	-103.9	162.1	-167.8	-176	0	112
106	E	26.1	Very low	34.8	Very low	192 Å²	192	135.3 Å²	135.3	90%	0.897	75%	0.751	S	S	*	*			trans	-66.7	159.4	-175.3	-77.6	159.9	131.3	0	0	113.4
107	A	25.4	Very low	32.6	Very low	92 Å²	92	134.4 Å²	134.4	76%	0.76	76%	0.758	S	S	*	*			trans	-56.9	131.7	168	0	0	0	0	0	111.5
108	D	28.9	Very low	30.9	Very low	168 Å²	168	140.9 Å²	140.9	90%	0.898	79%	0.792	S	S	*	*			trans	-121.1	122.2	155.3	-102.9	-30.2	0	0	0	109
109	V	26.6	Very low	30.3	Very low	126 Å²	126	138.3 Å²	138.3	76%	0.764	79%	0.785	S	S	*	*			trans	-88.4	119.5	172.8	169	0	0	0	0	106.4	V111	V109-V111 HydrophobicContact CG1-CG2 4.13Å
110	E	29.6	Very low	29.9	Very low	195 Å²	195	140.8 Å²	140.8	91%	0.911	80%	0.795	S	S	*	*			trans	-117	129.7	166.9	-155.2	168.9	-161.2	0	0	110.4
111	V	24.5	Very low	30.3	Very low	110 Å²	110	140.5 Å²	140.5	67%	0.667	79%	0.788	S	S	*	*			trans	-112.1	147.7	-175.2	164	0	0	0	0	107.8	V109	V109-V111 HydrophobicContact CG1-CG2 4.13Å
112	K	24.3	Very low	30.8	Very low	177 Å²	177	143.3 Å²	143.3	77%	0.77	79%	0.791	S	S	*	*			trans	83.4	139.4	166.6	-89.5	173.5	173.1	-173.4	0	116.4
113	D	27.4	Very low	31.7	Very low	156 Å²	156	138.3 Å²	138.3	83%	0.834	77%	0.773	S	S	*	*			cis	-135.8	140.9	46.8	-85.5	-45.5	0	0	0	116.7
114	E	26.7	Very low	32.7	Very low	174 Å²	174	140.7 Å²	140.7	81%	0.813	77%	0.77	S	S	*	*			trans	-93.9	119	158.2	-66.5	-179.4	162.9	0	0	109.1
115	N	27	Very low	33.6	Very low	164 Å²	164	135.8 Å²	135.8	88%	0.877	75%	0.746	S	S	*	*			trans	166.2	119	137.5	-98.5	-28.4	0	0	0	112.2
116	A	33.7	Very low	34.3	Very low	105 Å²	105	130.4 Å²	130.4	87%	0.868	72%	0.724	S	S	*	*				-167.1	109.9	127.6	0	0	0	0	0	110.9
117	S	31.1	Very low	35.5	Very low	104 Å²	104	126.9 Å²	126.9	73%	0.727	71%	0.707	S	S	*	*			trans	-65.7	128.6	165.1	173.7	0	0	0	0	111.7
118	N	30.5	Very low	36.5	Very low	158 Å²	158	123.1 Å²	123.1	85%	0.845	68%	0.675	S	S	*	*				167.6	119.9	123.7	-95.4	3.2	0	0	0	111.5
119	G	34	Very low	37.4	Very low	56 Å²	56	119.9 Å²	119.9	58%	0.577	65%	0.653	S	S	*	*			trans	142	55.4	164	0	0	0	0	0	115.6	V121 H122	G119-V121 PolarHBondContact O-N 3.21Å; G119-H122 PolarHBondContact O-N 3.46Å
120	N	38.8	Very low	38.4	Very low	146 Å²	146	119 Å²	119	78%	0.781	64%	0.639	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	41.6	-173.2	-163.1	28.9	0	0	0	115.7
121	V	46	Very low	39.2	Very low	121 Å²	121	112.8 Å²	112.8	73%	0.733	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-140.7	-15.4	171.5	-173.4	0	0	0	0	112	G119	G119-V121 PolarHBondContact O-N 3.21Å
122	H	43.1	Very low	40.2	Very low	138 Å²	138	109.3 Å²	109.3	64%	0.639	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	-10.2	-178.3	-93.4	-67.7	0	0	0	115.1	G119 E126	G119-H122 PolarHBondContact O-N 3.46Å; H122-E126 WeakPolarHBondContact O-CB 3.43Å; H122-E126 PolarHBondContact O-N 3.01Å; H122-E126 VanDerWaalsContact O-N 3.08Å
123	T	53.2	Low	41.1	Very low	72 Å²	72	105.1 Å²	105.1	44%	0.442	58%	0.578	S	S	.	*	H	α-helix	trans	-65.9	-43.9	-179.2	8.3	0	0	0	0	112.2	V125 E126 E127	T123-V125 PolarHBondContact O-N 2.89Å; T123-E126 PolarHBondContact O-N 3.32Å; T123-E127 WeakPolarHBondContact O-CB 3.3Å; T123-E127 WeakPolarHBondContact O-CG 3.29Å; T123-E127 PolarHBondContact O-N 3.39Å
124	E	48.4	Very low	42.2	Very low	132 Å²	132	98.5 Å²	98.5	62%	0.617	54%	0.542	S	S	*	.	H	α-helix	trans	-67.4	-38.6	-179	-67.9	172.2	170	0	0	112	E127 V128	E124-E127 PolarHBondContact O-N 3.4Å; E124-V128 WeakPolarHBondContact O-CB 3.37Å; E124-V128 WeakPolarHBondContact O-CG2 3.34Å; E124-V128 PolarHBondContact O-N 2.73Å
125	V	46.3	Very low	43.5	Very low	52 Å²	52	90.6 Å²	90.6	32%	0.315	51%	0.505	S	S	.	.	H	α-helix	trans	-69.9	-36.5	176.8	178.8	0	0	0	0	111.6	T123 K129 M153	T123-V125 PolarHBondContact O-N 2.89Å; V125-K129 HydrophobicContact CG1-CD 4.35Å; V125-K129 WeakPolarHBondContact O-CB 3.39Å; V125-K129 VanDerWaalsContact O-CG 3.26Å; V125-K129 WeakPolarHBondContact O-CG 3.37Å; V125-K129 PolarHBondContact O-N 2.83Å; V125-M153 HydrophobicContact CG2-SD 4.49Å
126	E	48.6	Very low	44.4	Very low	101 Å²	101	88.3 Å²	88.3	47%	0.472	49%	0.488	S	S	.	.	H	α-helix	trans	-71	-36.8	174	-84.4	-62.9	138.9	0	0	112.5	H122 T123 K129 K130	H122-E126 WeakPolarHBondContact O-CB 3.43Å; H122-E126 PolarHBondContact O-N 3.01Å; H122-E126 VanDerWaalsContact O-N 3.08Å; T123-E126 PolarHBondContact O-N 3.32Å; E126-K129 PolarHBondContact O-N 2.98Å; E126-K130 WeakPolarHBondContact O-CB 3.48Å; E126-K130 PolarHBondContact O-N 2.79Å
127	E	50.7	Low	44.8	Very low	117 Å²	117	83.9 Å²	83.9	55%	0.547	45%	0.449	S	S	.	.	H	α-helix	trans	-65.4	-40.9	172.7	-77.1	-178.4	-175.4	0	0	111.6	T123 E124 K130 L131	T123-E127 WeakPolarHBondContact O-CB 3.3Å; T123-E127 WeakPolarHBondContact O-CG 3.29Å; T123-E127 PolarHBondContact O-N 3.39Å; E124-E127 PolarHBondContact O-N 3.4Å; E127-K130 WeakPolarHBondContact O-CB 3.46Å; E127-K130 PolarHBondContact O-N 2.56Å; E127-L131 WeakPolarHBondContact O-CB 3.24Å; E127-L131 WeakPolarHBondContact O-CD1 3.32Å; E127-L131 PolarHBondContact O-N 3.4Å
128	V	47.9	Very low	45.7	Very low	13 Å²	13	79.9 Å²	79.9	8%	0.079	42%	0.419	C	S	.	.	H	α-helix	trans	-68.6	-39.8	174.8	169.5	0	0	0	0	111.4	E124 K130 L131 I132 L146 L150 M153	E124-V128 WeakPolarHBondContact O-CB 3.37Å; E124-V128 WeakPolarHBondContact O-CG2 3.34Å; E124-V128 PolarHBondContact O-N 2.73Å; V128-K130 VanDerWaalsContact C-N 3.35Å; V128-L131 CarbonylContact O-C 3.54Å; V128-L131 PolarHBondContact O-N 2.77Å; V128-I132 HydrophobicContact CG1-CD1 3.83Å; V128-I132 HydrophobicContact CG1-CG1 4.36Å; V128-I132 WeakPolarHBondContact O-CB 3.45Å; V128-I132 WeakPolarHBondContact O-CG1 3.47Å; V128-I132 PolarHBondContact O-N 3.48Å; V128-L146 HydrophobicContact CG1-CD1 4.42Å; V128-L150 HydrophobicContact CG1-CD2 3.4Å; V128-L150 HydrophobicContact CG1-CG 4.18Å; V128-M153 HydrophobicContact CB-CE 4.1Å; V128-M153 HydrophobicContact CG1-CE 3.92Å; V128-M153 HydrophobicContact CG2-CE 3.88Å; V128-M153 HydrophobicContact CG2-SD 4.29Å
129	K	46.3	Very low	46.7	Very low	101 Å²	101	74.4 Å²	74.4	44%	0.439	39%	0.39	S	S	.	.	H	α-helix	trans	-64.4	-39.1	172.7	-79.7	177.2	179.8	-179.5	0	112.1	V125 E126 I132 T133	V125-K129 HydrophobicContact CG1-CD 4.35Å; V125-K129 WeakPolarHBondContact O-CB 3.39Å; V125-K129 VanDerWaalsContact O-CG 3.26Å; V125-K129 WeakPolarHBondContact O-CG 3.37Å; V125-K129 PolarHBondContact O-N 2.83Å; E126-K129 PolarHBondContact O-N 2.98Å; K129-I132 PolarHBondContact O-N 3.49Å; K129-T133 PolarHBondContact O-N 3.29Å; K129-T133 VanDerWaalsContact O-N 3.11Å
130	K	48.9	Very low	47.7	Very low	107 Å²	107	73.6 Å²	73.6	47%	0.465	37%	0.372	S	S	.	.	H	α-helix	trans	-58.7	-54.4	168.5	-91	-177.7	173	-176.7	0	109.7	M86 E126 E127 V128 I132 T133 H134	M86-K130 HydrophobicContact CE-CD 4.48Å; E126-K130 WeakPolarHBondContact O-CB 3.48Å; E126-K130 PolarHBondContact O-N 2.79Å; E127-K130 WeakPolarHBondContact O-CB 3.46Å; E127-K130 PolarHBondContact O-N 2.56Å; V128-K130 VanDerWaalsContact C-N 3.35Å; K130-I132 PolarHBondContact O-N 2.81Å; K130-T133 PolarHBondContact O-N 3.43Å; K130-T133 VanDerWaalsContact O-N 3.09Å; K130-T133 PolarHBondContact O-OG1 3.41Å; K130-H134 PolarHBondContact O-CE1 2.74Å; K130-H134 PolarHBondContact O-N 3.1Å; K130-H134 PolarHBondContact O-ND1 3.42Å
131	L	45.9	Very low	48.4	Very low	65 Å²	65	70.1 Å²	70.1	34%	0.34	35%	0.353	S	S	.	.	H	α-helix	trans	-58.5	-35.3	178.5	-83	150.1	0	0	0	112.8	E127 V128 T133 H134 I135 L138 L146	E127-L131 WeakPolarHBondContact O-CB 3.24Å; E127-L131 WeakPolarHBondContact O-CD1 3.32Å; E127-L131 PolarHBondContact O-N 3.4Å; V128-L131 CarbonylContact O-C 3.54Å; V128-L131 PolarHBondContact O-N 2.77Å; L131-T133 PolarHBondContact O-N 3.18Å; L131-H134 CarbonylContact O-C 3.6Å; L131-H134 WeakPolarHBondContact O-CA 3.5Å; L131-H134 PolarHBondContact O-N 3.47Å; L131-I135 PolarHBondContact O-N 3.5Å; L131-L138 HydrophobicContact CD2-CD1 3.96Å; L131-L138 HydrophobicContact CD2-CD2 4.01Å; L131-L146 HydrophobicContact CB-CD1 3.48Å; L131-L146 VanDerWaalsContact CB-CD1 3.48Å; L131-L146 HydrophobicContact CB-CD2 4.09Å; L131-L146 HydrophobicContact CB-CG 4.33Å; L131-L146 HydrophobicContact CD1-CD1 4.2Å; L131-L146 HydrophobicContact CG-CD1 4.3Å
132	I	46.4	Very low	49.2	Very low	36 Å²	36	67 Å²	67	19%	0.185	33%	0.331	C	S	.	.	H	α-helix	trans	-63	-41.7	176.5	-77.3	165.3	0	0	0	111.7	V128 K129 K130 H134 I135 L150 I229	V128-I132 HydrophobicContact CG1-CD1 3.83Å; V128-I132 HydrophobicContact CG1-CG1 4.36Å; V128-I132 WeakPolarHBondContact O-CB 3.45Å; V128-I132 WeakPolarHBondContact O-CG1 3.47Å; V128-I132 PolarHBondContact O-N 3.48Å; K129-I132 PolarHBondContact O-N 3.49Å; K130-I132 PolarHBondContact O-N 2.81Å; I132-H134 PolarHBondContact O-N 3.47Å; I132-I135 HydrophobicContact CB-CD1 4.21Å; I132-I135 HydrophobicContact CG1-CD1 4.14Å; I132-I135 HydrophobicContact CG2-CD1 4.3Å; I132-I135 WeakPolarHBondContact O-CD1 3.36Å; I132-I135 PolarHBondContact O-N 2.98Å; I132-L150 HydrophobicContact CD1-CD2 4.39Å; I132-I229 HydrophobicContact CD1-CG1 4.14Å; I132-I229 HydrophobicContact CG1-CD1 4.38Å; I132-I229 HydrophobicContact CG1-CG1 4.06Å; I132-I229 HydrophobicContact CG2-CD1 3.57Å; I132-I229 HydrophobicContact CG2-CG1 3.85Å; I132-I229 HydrophobicContact CG2-CG2 4.03Å
133	T	42.9	Very low	50	Low	89 Å²	89	60.8 Å²	60.8	55%	0.546	30%	0.302	S	S	.	.	H	α-helix	trans	-68.2	-17	175.5	58.8	0	0	0	0	112.9	K129 K130 L131	K129-T133 PolarHBondContact O-N 3.29Å; K129-T133 VanDerWaalsContact O-N 3.11Å; K130-T133 PolarHBondContact O-N 3.43Å; K130-T133 VanDerWaalsContact O-N 3.09Å; K130-T133 PolarHBondContact O-OG1 3.41Å; L131-T133 PolarHBondContact O-N 3.18Å
134	H	49.8	Very low	50.3	Low	18 Å²	18	60 Å²	60	8%	0.083	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	-2.8	179.3	-64.1	66.5	0	0	0	113.4	W83 K130 L131 I132 K136 Y137 L138	W83-H134 PolarHBondContact O-NE2 3.18Å; K130-H134 PolarHBondContact O-CE1 2.74Å; K130-H134 PolarHBondContact O-N 3.1Å; K130-H134 PolarHBondContact O-ND1 3.42Å; L131-H134 CarbonylContact O-C 3.6Å; L131-H134 WeakPolarHBondContact O-CA 3.5Å; L131-H134 PolarHBondContact O-N 3.47Å; I132-H134 PolarHBondContact O-N 3.47Å; H134-K136 PolarHBondContact O-N 3.48Å; H134-Y137 WeakPolarHBondContact O-CA 3.37Å; H134-Y137 WeakPolarHBondContact O-CB 3.45Å; H134-Y137 PolarHBondContact O-N 3.23Å; H134-L138 HydrophobicContact CB-CD2 4.3Å; H134-L138 HydrophobicContact CB-CG 4.21Å; H134-L138 WeakPolarHBondContact O-CG 3.25Å; H134-L138 PolarHBondContact O-N 2.75Å; H134-L138 VanDerWaalsContact O-N 3.08Å
135	I	53.7	Low	51.1	Low	7 Å²	7	57.2 Å²	57.2	4%	0.036	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-48.5	-41.6	-175.7	-85.1	158.9	0	0	0	113.1	L131 I132 Y137 L138 L143 L146 F222 I225 I229	L131-I135 PolarHBondContact O-N 3.5Å; I132-I135 HydrophobicContact CB-CD1 4.21Å; I132-I135 HydrophobicContact CG1-CD1 4.14Å; I132-I135 HydrophobicContact CG2-CD1 4.3Å; I132-I135 WeakPolarHBondContact O-CD1 3.36Å; I132-I135 PolarHBondContact O-N 2.98Å; I135-Y137 PolarHBondContact O-N 3.03Å; I135-L138 HydrophobicContact CG1-CD1 4.27Å; I135-L138 PolarHBondContact O-N 3.46Å; I135-L143 HydrophobicContact CB-CD2 4.34Å; I135-L143 HydrophobicContact CG1-CD2 4.05Å; I135-L143 HydrophobicContact CG2-CD2 4.02Å; I135-L146 HydrophobicContact CD1-CD2 3.79Å; I135-L146 HydrophobicContact CG1-CD2 3.45Å; I135-L146 VanDerWaalsContact CG1-CD2 3.45Å; I135-F222 HydrophobicContact CG2-CD1 3.48Å; I135-F222 VanDerWaalsContact CG2-CD1 3.48Å; I135-F222 HydrophobicContact CG2-CE1 3.51Å; I135-F222 WeakPolarHBondContact O-CE1 3.46Å; I135-I225 HydrophobicContact CD1-CG2 3.28Å; I135-I225 HydrophobicContact CG1-CG2 4.1Å; I135-I225 HydrophobicContact CG2-CD1 4.19Å; I135-I225 HydrophobicContact CG2-CG2 4.16Å; I135-I229 HydrophobicContact CD1-CD1 3.52Å; I135-I229 HydrophobicContact CD1-CG1 4.35Å
136	K	45.9	Very low	52	Low	116 Å²	116	54.9 Å²	54.9	50%	0.504	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-15	178.6	61.7	161.3	163.4	164.5	0	114.7	E15 H134	E15-K136 IonicContact OE1-NZ 3.41Å; E15-K136 PolarHBondContact OE1-NZ 3.48Å; E15-K136 IonicContact OE2-NZ 3.22Å; E15-K136 PolarHBondContact OE2-NZ 3.32Å; H134-K136 PolarHBondContact O-N 3.48Å
137	Y	42.3	Very low	52.7	Low	12 Å²	12	53.2 Å²	53.2	5%	0.047	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-19.1	-177.9	-49.9	-54.4	0	0	0	113.5	E15 R45 V47 R78 V87 H134 I135	E15-Y137 WeakPolarHBondContact OE1-CE1 3.36Å; E15-Y137 VanDerWaalsContact OE1-CZ 3.31Å; E15-Y137 PolarHBondContact OE1-OH 3.37Å; R45-Y137 PolarHBondContact NH1-O 3.12Å; V47-Y137 HydrophobicContact CG2-CD1 3.4Å; V47-Y137 VanDerWaalsContact CG2-CD1 3.4Å; V47-Y137 HydrophobicContact CG2-CE1 3.07Å; R78-Y137 PolarHBondContact NH2-OH 3.35Å; V87-Y137 HydrophobicContact CG2-CD2 4.26Å; H134-Y137 WeakPolarHBondContact O-CA 3.37Å; H134-Y137 WeakPolarHBondContact O-CB 3.45Å; H134-Y137 PolarHBondContact O-N 3.23Å; I135-Y137 PolarHBondContact O-N 3.03Å
138	L	50.1	Low	53.5	Low	21 Å²	21	50.2 Å²	50.2	11%	0.11	25%	0.247	C	C	.	.			trans	-66.7	144.5	-177.8	-67.1	173.1	0	0	0	111.3	L131 H134 I135 E142 L143 L146	L131-L138 HydrophobicContact CD2-CD1 3.96Å; L131-L138 HydrophobicContact CD2-CD2 4.01Å; H134-L138 HydrophobicContact CB-CD2 4.3Å; H134-L138 HydrophobicContact CB-CG 4.21Å; H134-L138 WeakPolarHBondContact O-CG 3.25Å; H134-L138 PolarHBondContact O-N 2.75Å; H134-L138 VanDerWaalsContact O-N 3.08Å; I135-L138 HydrophobicContact CG1-CD1 4.27Å; I135-L138 PolarHBondContact O-N 3.46Å; L138-E142 WeakPolarHBondContact CA-OE2 3.41Å; L138-E142 HydrophobicContact CB-CB 3.95Å; L138-E142 HydrophobicContact CD2-CB 3.88Å; L138-E142 HydrophobicContact CD2-CG 4.48Å; L138-E142 HydrophobicContact CG-CB 4.38Å; L138-L143 HydrophobicContact CB-CD2 4.06Å; L138-L143 HydrophobicContact CB-CG 3.76Å; L138-L143 HydrophobicContact CD1-CD2 4.36Å; L138-L146 HydrophobicContact CD1-CB 4.5Å; L138-L146 HydrophobicContact CD1-CD2 3.7Å
139	D	51.6	Low	54.1	Low	42 Å²	42	51.3 Å²	51.3	23%	0.225	26%	0.257	C	S	.	.			trans	-80.7	178.6	175.6	88	21.9	0	0	0	112.3	R45 D141 E142 L143	R45-D139 IonicContact NH2-OD2 2.64Å; D139-D141 VanDerWaalsContact C-N 3.33Å; D139-D141 PolarHBondContact O-N 3.25Å; D139-D141 WeakPolarHBondContact OD1-CA 3.22Å; D139-D141 WeakPolarHBondContact OD1-CB 3.46Å; D139-D141 PolarHBondContact OD1-N 3.23Å; D139-E142 HydrophobicContact CB-CG 4.49Å; D139-E142 WeakPolarHBondContact CB-OE2 3.44Å; D139-E142 PolarHBondContact N-OE2 3.39Å; D139-E142 PolarHBondContact O-N 3Å; D139-E142 WeakPolarHBondContact OD1-CG 3.43Å; D139-E142 PolarHBondContact OD1-N 3.46Å; D139-L143 WeakPolarHBondContact O-CB 3.28Å; D139-L143 VanDerWaalsContact O-CG 3.31Å; D139-L143 WeakPolarHBondContact O-CG 3.49Å; D139-L143 PolarHBondContact O-N 2.96Å
140	N	55	Low	54.8	Low	40 Å²	40	47.7 Å²	47.7	21%	0.214	24%	0.243	C	C	.	.	H	α-helix	trans	-67.3	-36.5	-176.3	-66.1	-32.6	0	0	0	113.6	W144 W172	N140-W144 WeakPolarHBondContact O-CB 3.33Å; N140-W144 PolarHBondContact O-N 3.44Å; N140-W172 PolarHBondContact ND2-NE1 3.36Å; N140-W172 PolarHBondContact OD1-NE1 3.03Å
141	D	54.2	Low	55.5	Low	72 Å²	72	45 Å²	45	39%	0.385	23%	0.231	S	C	.	.	H	α-helix	trans	-72.9	-38	179.4	-69.1	-27.5	0	0	0	109.2	D139 W144 T145 L166	D139-D141 VanDerWaalsContact C-N 3.33Å; D139-D141 PolarHBondContact O-N 3.25Å; D139-D141 WeakPolarHBondContact OD1-CA 3.22Å; D139-D141 WeakPolarHBondContact OD1-CB 3.46Å; D139-D141 PolarHBondContact OD1-N 3.23Å; D141-W144 PolarHBondContact O-N 3.47Å; D141-T145 WeakPolarHBondContact O-CB 3.42Å; D141-T145 PolarHBondContact O-N 2.91Å; D141-T145 PolarHBondContact O-OG1 3.48Å; D141-L166 HydrophobicContact CB-CD2 3.53Å
142	E	61.5	Low	56.2	Low	55 Å²	55	43.9 Å²	43.9	26%	0.257	23%	0.226	S	C	.	.	H	α-helix	trans	-69.9	-45.6	175.3	-65.6	174.6	136.1	0	0	112.6	R45 L138 D139 W144 T145 L146	R45-E142 IonicContact NH1-OE2 3.55Å; L138-E142 WeakPolarHBondContact CA-OE2 3.41Å; L138-E142 HydrophobicContact CB-CB 3.95Å; L138-E142 HydrophobicContact CD2-CB 3.88Å; L138-E142 HydrophobicContact CD2-CG 4.48Å; L138-E142 HydrophobicContact CG-CB 4.38Å; D139-E142 HydrophobicContact CB-CG 4.49Å; D139-E142 WeakPolarHBondContact CB-OE2 3.44Å; D139-E142 PolarHBondContact N-OE2 3.39Å; D139-E142 PolarHBondContact O-N 3Å; D139-E142 WeakPolarHBondContact OD1-CG 3.43Å; D139-E142 PolarHBondContact OD1-N 3.46Å; E142-W144 VanDerWaalsContact C-N 3.28Å; E142-W144 PolarHBondContact O-N 3.43Å; E142-T145 PolarHBondContact O-N 3.1Å; E142-L146 WeakPolarHBondContact O-CB 3.49Å; E142-L146 PolarHBondContact O-N 3.1Å
143	L	59.6	Low	56.6	Low	8 Å²	8	45.7 Å²	45.7	4%	0.042	24%	0.235	C	C	.	.	H	α-helix	trans	-61.7	-38.5	173.1	-80.6	165.7	0	0	0	111	I135 L138 D139 L146 Y147 F222 I225	I135-L143 HydrophobicContact CB-CD2 4.34Å; I135-L143 HydrophobicContact CG1-CD2 4.05Å; I135-L143 HydrophobicContact CG2-CD2 4.02Å; L138-L143 HydrophobicContact CB-CD2 4.06Å; L138-L143 HydrophobicContact CB-CG 3.76Å; L138-L143 HydrophobicContact CD1-CD2 4.36Å; D139-L143 WeakPolarHBondContact O-CB 3.28Å; D139-L143 VanDerWaalsContact O-CG 3.31Å; D139-L143 WeakPolarHBondContact O-CG 3.49Å; D139-L143 PolarHBondContact O-N 2.96Å; L143-L146 PolarHBondContact O-N 3.26Å; L143-Y147 VanDerWaalsContact O-CB 3.3Å; L143-Y147 WeakPolarHBondContact O-CB 3.12Å; L143-Y147 PolarHBondContact O-N 3.19Å; L143-F222 HydrophobicContact CD1-CE1 4.24Å; L143-I225 HydrophobicContact CD2-CD1 3.54Å
144	W	59.9	Low	57.5	Low	55 Å²	55	48.4 Å²	48.4	21%	0.208	24%	0.235	C	C	.	.	H	α-helix	trans	-68.4	-40.6	175.5	-175.3	-111	0	0	0	111.8	N140 D141 E142 L146 Y147 N148 P167 P171	N140-W144 WeakPolarHBondContact O-CB 3.33Å; N140-W144 PolarHBondContact O-N 3.44Å; D141-W144 PolarHBondContact O-N 3.47Å; E142-W144 VanDerWaalsContact C-N 3.28Å; E142-W144 PolarHBondContact O-N 3.43Å; W144-L146 VanDerWaalsContact C-N 3.34Å; W144-Y147 AromaticContact CE3-CD1 3.9Å; W144-Y147 HydrophobicContact CE3-CD1 3.9Å; W144-Y147 HydrophobicContact CH2-CD1 4.06Å; W144-Y147 HydrophobicContact CH2-CE1 4.12Å; W144-Y147 AromaticContact CZ3-CD1 3.51Å; W144-Y147 HydrophobicContact CZ3-CD1 3.51Å; W144-Y147 AromaticContact CZ3-CE1 3.82Å; W144-Y147 HydrophobicContact CZ3-CE1 3.82Å; W144-Y147 HydrophobicContact CZ3-CG 4.42Å; W144-Y147 PolarHBondContact O-N 3.34Å; W144-N148 PolarHBondContact NE1-ND2 3.37Å; W144-N148 PolarHBondContact O-N 2.97Å; W144-N148 PolarHBondContact O-ND2 3.45Å; W144-P167 HydrophobicContact CD2-CG 4.27Å; W144-P167 HydrophobicContact CG-CG 4.42Å; W144-P167 HydrophobicContact CZ2-CG 3.94Å; W144-P171 HydrophobicContact CE3-CG 4.45Å
145	T	65.3	Low	58.1	Low	74 Å²	74	52.8 Å²	52.8	45%	0.454	26%	0.259	S	S	.	.	H	α-helix	trans	-61.5	-44.7	173.7	-58.2	0	0	0	0	110.5	D141 E142 N148 A149	D141-T145 WeakPolarHBondContact O-CB 3.42Å; D141-T145 PolarHBondContact O-N 2.91Å; D141-T145 PolarHBondContact O-OG1 3.48Å; E142-T145 PolarHBondContact O-N 3.1Å; T145-N148 PolarHBondContact O-N 2.94Å; T145-A149 WeakPolarHBondContact O-CB 3.07Å; T145-A149 PolarHBondContact O-N 3.11Å
146	L	64.8	Low	57.9	Low	4 Å²	4	55 Å²	55	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-62.3	-45.4	175.3	-179.7	59.1	0	0	0	111.9	V128 L131 I135 L138 E142 L143 W144 N148 A149 L150	V128-L146 HydrophobicContact CG1-CD1 4.42Å; L131-L146 HydrophobicContact CB-CD1 3.48Å; L131-L146 VanDerWaalsContact CB-CD1 3.48Å; L131-L146 HydrophobicContact CB-CD2 4.09Å; L131-L146 HydrophobicContact CB-CG 4.33Å; L131-L146 HydrophobicContact CD1-CD1 4.2Å; L131-L146 HydrophobicContact CG-CD1 4.3Å; I135-L146 HydrophobicContact CD1-CD2 3.79Å; I135-L146 HydrophobicContact CG1-CD2 3.45Å; I135-L146 VanDerWaalsContact CG1-CD2 3.45Å; L138-L146 HydrophobicContact CD1-CB 4.5Å; L138-L146 HydrophobicContact CD1-CD2 3.7Å; E142-L146 WeakPolarHBondContact O-CB 3.49Å; E142-L146 PolarHBondContact O-N 3.1Å; L143-L146 PolarHBondContact O-N 3.26Å; W144-L146 VanDerWaalsContact C-N 3.34Å; L146-N148 PolarHBondContact O-N 2.67Å; L146-A149 PolarHBondContact O-N 3.22Å; L146-L150 HydrophobicContact CD1-CD1 4.21Å; L146-L150 HydrophobicContact CD1-CG 4.27Å; L146-L150 HydrophobicContact CG-CD1 4.04Å; L146-L150 WeakPolarHBondContact O-CB 3.43Å; L146-L150 VanDerWaalsContact O-CG 3.32Å; L146-L150 WeakPolarHBondContact O-CG 3.01Å; L146-L150 PolarHBondContact O-N 2.68Å
147	Y	63.8	Low	58.1	Low	65 Å²	65	62 Å²	62	26%	0.255	29%	0.293	S	S	.	.	H	α-helix	trans	-61.4	-43.9	177.7	175.6	-97.1	0	0	0	111.8	L143 W144 L150 Q151	L143-Y147 VanDerWaalsContact O-CB 3.3Å; L143-Y147 WeakPolarHBondContact O-CB 3.12Å; L143-Y147 PolarHBondContact O-N 3.19Å; W144-Y147 AromaticContact CE3-CD1 3.9Å; W144-Y147 HydrophobicContact CE3-CD1 3.9Å; W144-Y147 HydrophobicContact CH2-CD1 4.06Å; W144-Y147 HydrophobicContact CH2-CE1 4.12Å; W144-Y147 AromaticContact CZ3-CD1 3.51Å; W144-Y147 HydrophobicContact CZ3-CD1 3.51Å; W144-Y147 AromaticContact CZ3-CE1 3.82Å; W144-Y147 HydrophobicContact CZ3-CE1 3.82Å; W144-Y147 HydrophobicContact CZ3-CG 4.42Å; W144-Y147 PolarHBondContact O-N 3.34Å; Y147-L150 PolarHBondContact O-N 2.94Å; Y147-Q151 HydrophobicContact CD1-CG 4.27Å; Y147-Q151 HydrophobicContact CE1-CG 3.8Å; Y147-Q151 HydrophobicContact CE2-CG 4.18Å; Y147-Q151 WeakPolarHBondContact O-CB 3.46Å; Y147-Q151 WeakPolarHBondContact O-CG 3.2Å; Y147-Q151 PolarHBondContact O-N 3.47Å; Y147-Q151 PolarHBondContact OH-NE2 3.32Å
148	N	67.9	Low	57.8	Low	55 Å²	55	64.1 Å²	64.1	29%	0.294	32%	0.317	S	S	.	.	H	α-helix	trans	-67.4	-40.6	175.4	-70.1	-59.6	0	0	0	111.8	W144 T145 L146 L150 Q151 D152	W144-N148 PolarHBondContact NE1-ND2 3.37Å; W144-N148 PolarHBondContact O-N 2.97Å; W144-N148 PolarHBondContact O-ND2 3.45Å; T145-N148 PolarHBondContact O-N 2.94Å; L146-N148 PolarHBondContact O-N 2.67Å; N148-L150 VanDerWaalsContact C-N 3.31Å; N148-L150 PolarHBondContact O-N 2.98Å; N148-Q151 CarbonylContact O-C 3.58Å; N148-Q151 PolarHBondContact O-N 3.41Å; N148-D152 WeakPolarHBondContact O-CB 3.46Å; N148-D152 PolarHBondContact O-N 2.79Å
149	A	60.3	Low	57.1	Low	35 Å²	35	66.7 Å²	66.7	29%	0.289	34%	0.342	S	S	.	.	H	α-helix	trans	-60.9	-41.3	175.8	0	0	0	0	0	111.4	T145 L146 D152 M153	T145-A149 WeakPolarHBondContact O-CB 3.07Å; T145-A149 PolarHBondContact O-N 3.11Å; L146-A149 PolarHBondContact O-N 3.22Å; A149-D152 PolarHBondContact O-N 3.09Å; A149-M153 WeakPolarHBondContact O-CG 3.36Å; A149-M153 PolarHBondContact O-N 3.49Å
150	L	61.3	Low	56.4	Low	26 Å²	26	74 Å²	74	14%	0.136	37%	0.372	C	S	.	.	H	α-helix	trans	-64.8	-42.8	174	-76	169.3	0	0	0	112.2	V128 I132 L146 Y147 N148 M153 R154	V128-L150 HydrophobicContact CG1-CD2 3.4Å; V128-L150 HydrophobicContact CG1-CG 4.18Å; I132-L150 HydrophobicContact CD1-CD2 4.39Å; L146-L150 HydrophobicContact CD1-CD1 4.21Å; L146-L150 HydrophobicContact CD1-CG 4.27Å; L146-L150 HydrophobicContact CG-CD1 4.04Å; L146-L150 WeakPolarHBondContact O-CB 3.43Å; L146-L150 VanDerWaalsContact O-CG 3.32Å; L146-L150 WeakPolarHBondContact O-CG 3.01Å; L146-L150 PolarHBondContact O-N 2.68Å; Y147-L150 PolarHBondContact O-N 2.94Å; N148-L150 VanDerWaalsContact C-N 3.31Å; N148-L150 PolarHBondContact O-N 2.98Å; L150-M153 HydrophobicContact CD2-CE 4.43Å; L150-M153 PolarHBondContact O-N 3.2Å; L150-R154 WeakPolarHBondContact O-CB 3.41Å; L150-R154 PolarHBondContact O-N 3.49Å
151	Q	63.5	Low	55.4	Low	49 Å²	49	76 Å²	76	23%	0.229	39%	0.385	C	S	.	.	H	α-helix	trans	-64.7	-42.6	175	-80.5	-75.2	5.9	0	0	111.9	Y147 N148 R154 N155	Y147-Q151 HydrophobicContact CD1-CG 4.27Å; Y147-Q151 HydrophobicContact CE1-CG 3.8Å; Y147-Q151 HydrophobicContact CE2-CG 4.18Å; Y147-Q151 WeakPolarHBondContact O-CB 3.46Å; Y147-Q151 WeakPolarHBondContact O-CG 3.2Å; Y147-Q151 PolarHBondContact O-N 3.47Å; Y147-Q151 PolarHBondContact OH-NE2 3.32Å; N148-Q151 CarbonylContact O-C 3.58Å; N148-Q151 PolarHBondContact O-N 3.41Å; Q151-R154 PolarHBondContact O-N 2.84Å; Q151-N155 VanDerWaalsContact O-CB 3.29Å; Q151-N155 WeakPolarHBondContact O-CB 3.31Å; Q151-N155 PolarHBondContact O-N 3.29Å; Q151-N155 PolarHBondContact O-ND2 3.23Å; Q151-N155 PolarHBondContact OE1-ND2 3.05Å
152	D	59.8	Low	54.5	Low	43 Å²	43	81.7 Å²	81.7	23%	0.23	41%	0.407	C	S	.	.	H	α-helix	trans	-62.1	-49.5	175.2	-79	-28.1	0	0	0	108.9	N148 A149 R154 N155 E156 T161	N148-D152 WeakPolarHBondContact O-CB 3.46Å; N148-D152 PolarHBondContact O-N 2.79Å; A149-D152 PolarHBondContact O-N 3.09Å; D152-R154 VanDerWaalsContact C-N 3.26Å; D152-R154 PolarHBondContact O-N 2.62Å; D152-N155 CarbonylContact O-C 3.59Å; D152-N155 PolarHBondContact O-N 3.38Å; D152-N155 VanDerWaalsContact O-N 3.08Å; D152-E156 HydrophobicContact CB-CG 4.49Å; D152-E156 WeakPolarHBondContact O-CA 3.5Å; D152-E156 WeakPolarHBondContact O-CB 3.39Å; D152-E156 WeakPolarHBondContact O-CG 3.45Å; D152-E156 PolarHBondContact O-N 3.35Å; D152-T161 VanDerWaalsContact OD1-CB 3.3Å; D152-T161 WeakPolarHBondContact OD1-CB 3.48Å; D152-T161 PolarHBondContact OD1-OG1 3.05Å
153	M	55.9	Low	53.1	Low	74 Å²	74	85.2 Å²	85.2	37%	0.365	43%	0.432	S	S	.	.	H	α-helix	trans	-57.7	-36.2	174.7	-71.2	-146.8	-51.3	0	0	113.7	V125 V128 A149 L150	V125-M153 HydrophobicContact CG2-SD 4.49Å; V128-M153 HydrophobicContact CB-CE 4.1Å; V128-M153 HydrophobicContact CG1-CE 3.92Å; V128-M153 HydrophobicContact CG2-CE 3.88Å; V128-M153 HydrophobicContact CG2-SD 4.29Å; A149-M153 WeakPolarHBondContact O-CG 3.36Å; A149-M153 PolarHBondContact O-N 3.49Å; L150-M153 HydrophobicContact CD2-CE 4.43Å; L150-M153 PolarHBondContact O-N 3.2Å
154	R	61.9	Low	51.8	Low	146 Å²	146	94 Å²	94	55%	0.551	47%	0.469	S	S	*	.	H	α-helix	trans	-71	-36.9	177.5	-173.9	176.2	-176	167.8	0.5	112.5	L150 Q151 D152 E228	L150-R154 WeakPolarHBondContact O-CB 3.41Å; L150-R154 PolarHBondContact O-N 3.49Å; Q151-R154 PolarHBondContact O-N 2.84Å; D152-R154 VanDerWaalsContact C-N 3.26Å; D152-R154 PolarHBondContact O-N 2.62Å; R154-E228 IonicContact NH1-OE1 2.79Å; R154-E228 IonicContact NH1-OE2 2.74Å; R154-E228 PolarHBondContact NH1-OE2 3.03Å
155	N	62.4	Low	50.3	Low	109 Å²	109	99 Å²	99	58%	0.583	50%	0.498	S	S	*	.	H	α-helix	trans	-89.6	-19.7	-176.7	-64.9	-41.4	0	0	0	112.3	Q151 D152 R157	Q151-N155 VanDerWaalsContact O-CB 3.29Å; Q151-N155 WeakPolarHBondContact O-CB 3.31Å; Q151-N155 PolarHBondContact O-N 3.29Å; Q151-N155 PolarHBondContact O-ND2 3.23Å; Q151-N155 PolarHBondContact OE1-ND2 3.05Å; D152-N155 CarbonylContact O-C 3.59Å; D152-N155 PolarHBondContact O-N 3.38Å; D152-N155 VanDerWaalsContact O-N 3.08Å; N155-R157 PolarHBondContact O-N 2.9Å; N155-R157 VanDerWaalsContact O-N 3.14Å
156	E	49.3	Very low	48.7	Very low	55 Å²	55	98.7 Å²	98.7	26%	0.257	49%	0.494	S	S	.	.			trans	-93	64	-175.1	-64.9	-176	148.8	0	0	112.7	D152 G158 A159 K160 T161	D152-E156 HydrophobicContact CB-CG 4.49Å; D152-E156 WeakPolarHBondContact O-CA 3.5Å; D152-E156 WeakPolarHBondContact O-CB 3.39Å; D152-E156 WeakPolarHBondContact O-CG 3.45Å; D152-E156 PolarHBondContact O-N 3.35Å; E156-G158 VanDerWaalsContact CA-N 3.27Å; E156-G158 WeakPolarHBondContact CG-O 3.26Å; E156-G158 PolarHBondContact O-N 3.44Å; E156-A159 HydrophobicContact CB-CB 4.39Å; E156-A159 VanDerWaalsContact OE1-CA 3.3Å; E156-A159 WeakPolarHBondContact OE1-CA 3.47Å; E156-A159 WeakPolarHBondContact OE2-CA 3.41Å; E156-A159 WeakPolarHBondContact OE2-CB 3.43Å; E156-K160 PolarHBondContact OE1-N 3.38Å; E156-T161 PolarHBondContact OE1-N 3.14Å; E156-T161 PolarHBondContact OE1-OG1 3.43Å
157	R	50.6	Low	47	Very low	263 Å²	263	101.4 Å²	101.4	99%	0.992	51%	0.512	S	S	*	.	S	Bend		-57.8	41.8	125.7	-84.3	-171.1	178	-165	2.5	111.6	N155	N155-R157 PolarHBondContact O-N 2.9Å; N155-R157 VanDerWaalsContact O-N 3.14Å
158	G	35.9	Very low	45.6	Very low	55 Å²	55	104.2 Å²	104.2	57%	0.567	54%	0.541	S	S	*	.	S	Bend	trans	151.9	89.7	-177	0	0	0	0	0	113	E156 K160	E156-G158 VanDerWaalsContact CA-N 3.27Å; E156-G158 WeakPolarHBondContact CG-O 3.26Å; E156-G158 PolarHBondContact O-N 3.44Å; G158-K160 PolarHBondContact O-N 3.04Å; G158-K160 VanDerWaalsContact O-N 3.14Å
159	A	34.5	Very low	44.4	Very low	76 Å²	76	103.8 Å²	103.8	63%	0.628	55%	0.549	S	S	*	.			trans	-68.5	101.9	-176.3	0	0	0	0	0	115.1	E156	E156-A159 HydrophobicContact CB-CB 4.39Å; E156-A159 VanDerWaalsContact OE1-CA 3.3Å; E156-A159 WeakPolarHBondContact OE1-CA 3.47Å; E156-A159 WeakPolarHBondContact OE2-CA 3.41Å; E156-A159 WeakPolarHBondContact OE2-CB 3.43Å
160	K	36.2	Very low	44.1	Very low	196 Å²	196	107 Å²	107	85%	0.852	55%	0.554	S	S	*	*			trans	-164.1	54.3	169.8	-61.9	-165.4	-177.9	171.7	0	114	E156 G158	E156-K160 PolarHBondContact OE1-N 3.38Å; G158-K160 PolarHBondContact O-N 3.04Å; G158-K160 VanDerWaalsContact O-N 3.14Å
161	T	35.6	Very low	43.8	Very low	80 Å²	80	108.1 Å²	108.1	49%	0.491	56%	0.563	S	S	.	*			trans	-101.9	104.5	161.3	-17.5	0	0	0	0	112	D152 E156 V163	D152-T161 VanDerWaalsContact OD1-CB 3.3Å; D152-T161 WeakPolarHBondContact OD1-CB 3.48Å; D152-T161 PolarHBondContact OD1-OG1 3.05Å; E156-T161 PolarHBondContact OE1-N 3.14Å; E156-T161 PolarHBondContact OE1-OG1 3.43Å; T161-V163 PolarHBondContact O-N 3.3Å; T161-V163 VanDerWaalsContact O-N 3.13Å
162	K	33.5	Very low	43.7	Very low	193 Å²	193	106.9 Å²	106.9	84%	0.839	56%	0.556	S	S	*	*			trans	-51.2	119.5	164.8	-73.1	177.3	176.3	179.9	0	107.9	K164	K162-K164 VanDerWaalsContact C-N 3.3Å; K162-K164 PolarHBondContact O-N 2.77Å
163	V	32	Very low	44	Very low	129 Å²	129	105 Å²	105	78%	0.782	55%	0.546	S	S	*	.			trans	-44.7	95.9	170.5	179.4	0	0	0	0	108.4	T161 I165	T161-V163 PolarHBondContact O-N 3.3Å; T161-V163 VanDerWaalsContact O-N 3.13Å; V163-I165 PolarHBondContact O-N 2.95Å
164	K	33.1	Very low	45.2	Very low	191 Å²	191	104.9 Å²	104.9	83%	0.83	55%	0.547	S	S	*	.			trans	-74	109	171.7	-91.8	177.3	176	173.1	0	104.3	K162 L166	K162-K164 VanDerWaalsContact C-N 3.3Å; K162-K164 PolarHBondContact O-N 2.77Å; K164-L166 PolarHBondContact O-N 3.08Å
165	I	29.4	Very low	46.3	Very low	160 Å²	160	102.5 Å²	102.5	82%	0.821	55%	0.553	S	S	*	*			trans	12	108.2	158.4	-56.5	168.3	0	0	0	112	V163	V163-I165 PolarHBondContact O-N 2.95Å
166	L	30.6	Very low	47.6	Very low	69 Å²	69	101 Å²	101	36%	0.361	55%	0.548	S	S	.	.			trans	-44.2	126.9	172.7	-95.6	88.9	0	0	0	109.3	D141 K164 S168	D141-L166 HydrophobicContact CB-CD2 3.53Å; K164-L166 PolarHBondContact O-N 3.08Å; L166-S168 PolarHBondContact O-N 3.4Å
167	P	29.8	Very low	49	Very low	61 Å²	61	98.4 Å²	98.4	40%	0.396	54%	0.535	S	S	.	.			trans	-64.2	107.9	168.7	22.1	-19.2	0	0	0	106.6	W144 G169	W144-P167 HydrophobicContact CD2-CG 4.27Å; W144-P167 HydrophobicContact CG-CG 4.42Å; W144-P167 HydrophobicContact CZ2-CG 3.94Å; P167-G169 PolarHBondContact O-N 3.47Å
168	S	33	Very low	50.4	Low	123 Å²	123	91 Å²	91	86%	0.86	51%	0.511	S	S	*	.			trans	-56.7	121.6	171.4	49.7	0	0	0	0	109.3	L166	L166-S168 PolarHBondContact O-N 3.4Å
169	G	44.2	Very low	52.7	Low	46 Å²	46	92.1 Å²	92.1	47%	0.474	51%	0.51	S	S	.	.	S	Bend	trans	147.1	-158.3	172.8	0	0	0	0	0	115.9	P167 P171	P167-G169 PolarHBondContact O-N 3.47Å; G169-P171 WeakPolarHBondContact O-CD 3.34Å
170	R	53.9	Low	55	Low	103 Å²	103	89.9 Å²	89.9	39%	0.389	49%	0.487	S	S	.	.			trans	-118.5	83.3	178.8	-58.5	-178.8	-173	-103	-2	109.3	W172 L173 Y210	R170-W172 VanDerWaalsContact C-N 3.32Å; R170-W172 HydrophobicContact CB-CZ2 4.32Å; R170-W172 HydrophobicContact CG-CZ2 4.49Å; R170-W172 PolarHBondContact O-N 3.44Å; R170-L173 HydrophobicContact CB-CB 4.45Å; R170-L173 HydrophobicContact CB-CD1 3.54Å; R170-L173 HydrophobicContact CB-CG 4.31Å; R170-L173 HydrophobicContact CG-CD1 4.05Å; R170-L173 PolarHBondContact O-N 3.25Å; R170-Y210 PolarHBondContact NE-OH 3.48Å; R170-Y210 PolarHBondContact NH1-OH 3.31Å
171	P	53.8	Low	56.9	Low	49 Å²	49	83.9 Å²	83.9	32%	0.318	46%	0.461	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.6	-29.8	-170.4	23.7	-32	0	0	0	113.7	W144 G169 L173	W144-P171 HydrophobicContact CE3-CG 4.45Å; G169-P171 WeakPolarHBondContact O-CD 3.34Å; P171-L173 PolarHBondContact O-N 3.45Å
172	W	63.2	Low	59	Low	24 Å²	24	83.5 Å²	83.5	9%	0.091	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.2	176.1	58.2	-85.7	0	0	0	113.6	N140 R170 D174 S214 C217 E218 W221	N140-W172 PolarHBondContact ND2-NE1 3.36Å; N140-W172 PolarHBondContact OD1-NE1 3.03Å; R170-W172 VanDerWaalsContact C-N 3.32Å; R170-W172 HydrophobicContact CB-CZ2 4.32Å; R170-W172 HydrophobicContact CG-CZ2 4.49Å; R170-W172 PolarHBondContact O-N 3.44Å; W172-D174 PolarHBondContact O-N 2.69Å; W172-S214 WeakPolarHBondContact CH2-OG 3.2Å; W172-S214 WeakPolarHBondContact CZ3-O 3.43Å; W172-C217 HydrophobicContact CE3-CB 3.43Å; W172-C217 VanDerWaalsContact CE3-CB 3.43Å; W172-C217 HydrophobicContact CZ3-CB 3.62Å; W172-C217 WeakPolarHBondContact O-CB 3.32Å; W172-E218 HydrophobicContact CE3-CB 4.29Å; W172-E218 HydrophobicContact CZ3-CB 4.32Å; W172-W221 HydrophobicContact CB-CB 3.81Å; W172-W221 HydrophobicContact CB-CD2 3.9Å; W172-W221 HydrophobicContact CB-CE3 4.4Å; W172-W221 HydrophobicContact CB-CG 3.6Å
173	L	65.7	Low	61.2	Low	2 Å²	2	77 Å²	77	1%	0.01	43%	0.431	C	S	.	.			trans	-70.4	120.6	172.7	-84.1	155.9	0	0	0	109.1	R170 P171 K178 Y210 C217	R170-L173 HydrophobicContact CB-CB 4.45Å; R170-L173 HydrophobicContact CB-CD1 3.54Å; R170-L173 HydrophobicContact CB-CG 4.31Å; R170-L173 HydrophobicContact CG-CD1 4.05Å; R170-L173 PolarHBondContact O-N 3.25Å; P171-L173 PolarHBondContact O-N 3.45Å; L173-K178 HydrophobicContact CB-CG 3.96Å; L173-K178 WeakPolarHBondContact O-CE 3.39Å; L173-K178 PolarHBondContact O-NZ 3.01Å; L173-Y210 HydrophobicContact CD1-CE2 4.01Å; L173-Y210 HydrophobicContact CD2-CE2 4.19Å; L173-C217 HydrophobicContact CD2-CB 4.39Å
174	D	80.3	Confident	63.5	Low	72 Å²	72	73.6 Å²	73.6	39%	0.385	40%	0.404	S	S	.	.			trans	-64.8	-178.4	169.7	79.2	-15.9	0	0	0	110.8	W172 T176 G177 K178 C217	W172-D174 PolarHBondContact O-N 2.69Å; D174-T176 PolarHBondContact O-N 3.3Å; D174-T176 WeakPolarHBondContact OD1-CA 3.35Å; D174-T176 VanDerWaalsContact OD1-CB 3.31Å; D174-T176 WeakPolarHBondContact OD1-CB 3.35Å; D174-T176 PolarHBondContact OD1-N 2.98Å; D174-T176 WeakPolarHBondContact OD2-CB 3.4Å; D174-T176 PolarHBondContact OD2-OG1 3.37Å; D174-G177 PolarHBondContact OD1-N 2.93Å; D174-K178 WeakPolarHBondContact O-CB 3.45Å; D174-K178 WeakPolarHBondContact O-CG 3.46Å; D174-K178 PolarHBondContact O-N 3.4Å; D174-C217 PolarHBondContact OD1-SG 3.27Å; D174-C217 VanDerWaalsContact OD1-SG 3.33Å
175	S	85.2	Confident	65.3	Low	97 Å²	97	67.5 Å²	67.5	68%	0.678	38%	0.383	S	S	*	.	H	α-helix	trans	-58.7	-34.8	177.2	50.2	0	0	0	0	112.8	S179	S175-S179 PolarHBondContact O-N 3.14Å; S175-S179 VanDerWaalsContact O-N 3.11Å
176	T	88.7	Confident	67.8	Low	78 Å²	78	64.9 Å²	64.9	48%	0.479	37%	0.367	S	S	.	.	H	α-helix	trans	-69.1	-52.2	-177.2	-47.7	0	0	0	0	110.5	D174 K178 S179 L180	D174-T176 PolarHBondContact O-N 3.3Å; D174-T176 WeakPolarHBondContact OD1-CA 3.35Å; D174-T176 VanDerWaalsContact OD1-CB 3.31Å; D174-T176 WeakPolarHBondContact OD1-CB 3.35Å; D174-T176 PolarHBondContact OD1-N 2.98Å; D174-T176 WeakPolarHBondContact OD2-CB 3.4Å; D174-T176 PolarHBondContact OD2-OG1 3.37Å; T176-K178 VanDerWaalsContact C-N 3.33Å; T176-K178 PolarHBondContact O-N 3.17Å; T176-S179 WeakPolarHBondContact O-CB 3.5Å; T176-S179 PolarHBondContact O-N 2.89Å; T176-S179 VanDerWaalsContact O-N 3.17Å; T176-L180 HydrophobicContact CG2-CD1 4.23Å; T176-L180 WeakPolarHBondContact O-CG 3.36Å; T176-L180 PolarHBondContact O-N 2.96Å
177	G	80.4	Confident	70	Confident	0 Å²	0	62 Å²	62	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-65.7	-35.1	179.8	0	0	0	0	0	112.4	D174 L180 F181	D174-G177 PolarHBondContact OD1-N 2.93Å; G177-L180 PolarHBondContact O-N 3.3Å; G177-F181 WeakPolarHBondContact O-CB 3.49Å; G177-F181 PolarHBondContact O-N 2.75Å
178	K	78.5	Confident	71.6	Confident	108 Å²	108	61.7 Å²	61.7	47%	0.47	35%	0.347	S	S	.	.	H	α-helix	trans	-60	-46.4	170.5	-77.9	168.9	177.3	139.1	0	111.7	L173 D174 T176 L180 F181 T182	L173-K178 HydrophobicContact CB-CG 3.96Å; L173-K178 WeakPolarHBondContact O-CE 3.39Å; L173-K178 PolarHBondContact O-NZ 3.01Å; D174-K178 WeakPolarHBondContact O-CB 3.45Å; D174-K178 WeakPolarHBondContact O-CG 3.46Å; D174-K178 PolarHBondContact O-N 3.4Å; T176-K178 VanDerWaalsContact C-N 3.33Å; T176-K178 PolarHBondContact O-N 3.17Å; K178-L180 PolarHBondContact O-N 2.88Å; K178-F181 WeakPolarHBondContact O-CB 3.41Å; K178-F181 PolarHBondContact O-N 3.39Å; K178-T182 PolarHBondContact O-N 2.81Å; K178-T182 VanDerWaalsContact O-N 3.07Å; K178-T182 PolarHBondContact O-OG1 3.31Å
179	S	84.8	Confident	73.3	Confident	78 Å²	78	61.1 Å²	61.1	55%	0.545	33%	0.331	S	S	.	.	H	α-helix	trans	-60.7	-44.9	176.7	-173.5	0	0	0	0	111.9	S175 T176 F181 T182 E183	S175-S179 PolarHBondContact O-N 3.14Å; S175-S179 VanDerWaalsContact O-N 3.11Å; T176-S179 WeakPolarHBondContact O-CB 3.5Å; T176-S179 PolarHBondContact O-N 2.89Å; T176-S179 VanDerWaalsContact O-N 3.17Å; S179-F181 VanDerWaalsContact C-N 3.34Å; S179-F181 PolarHBondContact O-N 3.38Å; S179-T182 PolarHBondContact O-N 2.88Å; S179-E183 PolarHBondContact O-N 3.22Å
180	L	82.2	Confident	75.2	Confident	29 Å²	29	64.2 Å²	64.2	15%	0.152	33%	0.331	C	S	.	.	H	α-helix	trans	-67.3	-34.9	179.2	-71.2	170.2	0	0	0	112.2	T176 G177 K178 E183 R184 L209 Y210 A213	T176-L180 HydrophobicContact CG2-CD1 4.23Å; T176-L180 WeakPolarHBondContact O-CG 3.36Å; T176-L180 PolarHBondContact O-N 2.96Å; G177-L180 PolarHBondContact O-N 3.3Å; K178-L180 PolarHBondContact O-N 2.88Å; L180-E183 PolarHBondContact O-N 2.67Å; L180-R184 VanDerWaalsContact O-CB 3.22Å; L180-R184 WeakPolarHBondContact O-CB 3.41Å; L180-R184 PolarHBondContact O-N 2.79Å; L180-L209 HydrophobicContact CD2-CB 4.02Å; L180-Y210 HydrophobicContact CB-CD2 4.35Å; L180-A213 HydrophobicContact CD1-CB 3.44Å; L180-A213 VanDerWaalsContact CD1-CB 3.44Å
181	F	76.7	Confident	75.7	Confident	69 Å²	69	60.8 Å²	60.8	30%	0.303	32%	0.32	S	S	.	.	H	α-helix	trans	-62.1	-45.6	173.4	179.5	-103.1	0	0	0	111.5	G177 K178 S179 R184 T185 Y210	G177-F181 WeakPolarHBondContact O-CB 3.49Å; G177-F181 PolarHBondContact O-N 2.75Å; K178-F181 WeakPolarHBondContact O-CB 3.41Å; K178-F181 PolarHBondContact O-N 3.39Å; S179-F181 VanDerWaalsContact C-N 3.34Å; S179-F181 PolarHBondContact O-N 3.38Å; F181-R184 PolarHBondContact O-N 2.99Å; F181-T185 WeakPolarHBondContact O-CB 3.31Å; F181-T185 PolarHBondContact O-N 3.17Å; F181-T185 PolarHBondContact O-OG1 2.78Å; F181-Y210 HydrophobicContact CB-CD2 3.84Å; F181-Y210 HydrophobicContact CB-CE2 3.59Å; F181-Y210 HydrophobicContact CD2-CD2 4.36Å; F181-Y210 HydrophobicContact CD2-CE1 4.37Å; F181-Y210 AromaticContact CD2-CE2 3.68Å; F181-Y210 HydrophobicContact CD2-CE2 3.68Å; F181-Y210 AromaticContact CD2-CZ 3.69Å; F181-Y210 HydrophobicContact CG-CE2 4.09Å
182	T	79.9	Confident	76.6	Confident	73 Å²	73	65 Å²	65	45%	0.448	34%	0.336	S	S	.	.	H	α-helix	trans	-60.4	-49	175.7	-58.2	0	0	0	0	110.7	K178 S179 R184 T185 E186	K178-T182 PolarHBondContact O-N 2.81Å; K178-T182 VanDerWaalsContact O-N 3.07Å; K178-T182 PolarHBondContact O-OG1 3.31Å; S179-T182 PolarHBondContact O-N 2.88Å; T182-R184 PolarHBondContact O-N 3.08Å; T182-T185 PolarHBondContact O-N 3.39Å; T182-E186 WeakPolarHBondContact O-CG 3.47Å; T182-E186 PolarHBondContact O-N 3.03Å
183	E	80.1	Confident	77.8	Confident	55 Å²	55	70 Å²	70	26%	0.257	36%	0.364	S	S	.	.	H	α-helix	trans	-60.5	-46	178.9	-171.7	-177.3	-177.8	0	0	112	S179 L180 T185 E186 T187 R202 C206	S179-E183 PolarHBondContact O-N 3.22Å; L180-E183 PolarHBondContact O-N 2.67Å; E183-T185 VanDerWaalsContact C-N 3.31Å; E183-T185 PolarHBondContact O-N 2.87Å; E183-E186 PolarHBondContact O-N 3.36Å; E183-T187 VanDerWaalsContact O-CG2 3.31Å; E183-T187 WeakPolarHBondContact O-CG2 3.29Å; E183-T187 PolarHBondContact O-N 3.29Å; E183-T187 PolarHBondContact O-OG1 2.93Å; E183-R202 IonicContact OE1-CZ 3.73Å; E183-R202 IonicContact OE1-NE 3.02Å; E183-R202 IonicContact OE1-NH2 3.91Å; E183-R202 PolarHBondContact OE1-NH2 2.78Å; E183-C206 PolarHBondContact OE1-SG 2.96Å; E183-C206 VanDerWaalsContact OE1-SG 3.38Å
184	R	80.5	Confident	79	Confident	59 Å²	59	75.9 Å²	75.9	22%	0.223	39%	0.391	C	S	.	.	H	α-helix	trans	-55.9	-47.2	175.1	178.6	-172.7	179	-90.8	-2.2	111.1	L180 F181 T182 E186 T187 L188 F203 C206 D207	L180-R184 VanDerWaalsContact O-CB 3.22Å; L180-R184 WeakPolarHBondContact O-CB 3.41Å; L180-R184 PolarHBondContact O-N 2.79Å; F181-R184 PolarHBondContact O-N 2.99Å; T182-R184 PolarHBondContact O-N 3.08Å; R184-E186 PolarHBondContact O-N 3.41Å; R184-T187 PolarHBondContact O-N 2.86Å; R184-T187 PolarHBondContact O-OG1 3.38Å; R184-L188 PolarHBondContact O-N 3.49Å; R184-F203 HydrophobicContact CG-CE2 4.09Å; R184-C206 HydrophobicContact CB-CB 4.38Å; R184-D207 IonicContact CZ-OD1 3.63Å; R184-D207 IonicContact NE-OD1 2.79Å; R184-D207 PolarHBondContact NE-OD1 2.86Å; R184-D207 IonicContact NH2-OD1 3.44Å; R184-D207 PolarHBondContact NH2-OD1 3.38Å
185	T	71.2	Confident	79.4	Confident	62 Å²	62	77.2 Å²	77.2	38%	0.38	40%	0.398	S	S	.	.	H	α-helix	trans	-63.1	-42.6	-179.5	-55.1	0	0	0	0	111.6	F181 T182 E183 T187 L188 H189	F181-T185 WeakPolarHBondContact O-CB 3.31Å; F181-T185 PolarHBondContact O-N 3.17Å; F181-T185 PolarHBondContact O-OG1 2.78Å; T182-T185 PolarHBondContact O-N 3.39Å; E183-T185 VanDerWaalsContact C-N 3.31Å; E183-T185 PolarHBondContact O-N 2.87Å; T185-T187 VanDerWaalsContact C-N 3.33Å; T185-T187 PolarHBondContact O-N 3.48Å; T185-L188 PolarHBondContact O-N 3.17Å; T185-H189 PolarHBondContact O-N 3.35Å
186	E	81.8	Confident	79.7	Confident	106 Å²	106	73.9 Å²	73.9	50%	0.495	38%	0.375	S	S	.	.	H	α-helix	trans	-62.5	-40.1	175.2	-72.1	178.8	-170.4	0	0	112.4	T182 E183 R184 H189 K190	T182-E186 WeakPolarHBondContact O-CG 3.47Å; T182-E186 PolarHBondContact O-N 3.03Å; E183-E186 PolarHBondContact O-N 3.36Å; R184-E186 PolarHBondContact O-N 3.41Å; E186-H189 PolarHBondContact O-N 2.88Å; E186-K190 WeakPolarHBondContact O-CG 3.21Å; E186-K190 PolarHBondContact O-N 3.18Å
187	T	75.6	Confident	79.8	Confident	8 Å²	8	77.7 Å²	77.7	5%	0.049	39%	0.385	C	S	.	.	H	α-helix	trans	-71.8	-32.4	178.8	61.1	0	0	0	0	112.8	E183 R184 T185 K190 L191 R202 C206	E183-T187 VanDerWaalsContact O-CG2 3.31Å; E183-T187 WeakPolarHBondContact O-CG2 3.29Å; E183-T187 PolarHBondContact O-N 3.29Å; E183-T187 PolarHBondContact O-OG1 2.93Å; R184-T187 PolarHBondContact O-N 2.86Å; R184-T187 PolarHBondContact O-OG1 3.38Å; T185-T187 VanDerWaalsContact C-N 3.33Å; T185-T187 PolarHBondContact O-N 3.48Å; T187-K190 PolarHBondContact O-N 2.88Å; T187-L191 WeakPolarHBondContact O-CB 3.34Å; T187-L191 PolarHBondContact O-N 2.74Å; T187-R202 HydrophobicContact CG2-CG 3.61Å; T187-C206 HydrophobicContact CG2-CB 4.41Å
188	L	64	Low	80.5	Confident	54 Å²	54	82.4 Å²	82.4	28%	0.283	41%	0.414	S	S	.	.	H	α-helix	trans	-63.7	-48.9	171.5	-178.6	58.7	0	0	0	110.6	R184 T185 K190 L191 E192 F203	R184-L188 PolarHBondContact O-N 3.49Å; T185-L188 PolarHBondContact O-N 3.17Å; L188-K190 VanDerWaalsContact C-N 3.3Å; L188-K190 PolarHBondContact O-N 3.42Å; L188-L191 CarbonylContact O-C 3.59Å; L188-L191 WeakPolarHBondContact O-CA 3.48Å; L188-L191 WeakPolarHBondContact O-CB 3.34Å; L188-L191 PolarHBondContact O-N 3.15Å; L188-E192 HydrophobicContact CD1-CG 4.46Å; L188-E192 WeakPolarHBondContact O-CG 3.5Å; L188-E192 PolarHBondContact O-N 3.41Å; L188-F203 HydrophobicContact CB-CD2 3.86Å; L188-F203 HydrophobicContact CB-CE2 3.7Å; L188-F203 HydrophobicContact CD1-CD2 4.23Å; L188-F203 HydrophobicContact CD1-CE2 3.84Å; L188-F203 HydrophobicContact CD1-CZ 4.04Å; L188-F203 HydrophobicContact CD2-CE2 4.48Å; L188-F203 HydrophobicContact CG-CE2 4.21Å
189	H	69.2	Low	80.5	Confident	111 Å²	111	78.6 Å²	78.6	51%	0.514	40%	0.398	S	S	.	.	H	α-helix	trans	-61.1	-38.9	178.3	-173.2	-105.1	0	0	0	112.1	T185 E186 L191 E192 L193	T185-H189 PolarHBondContact O-N 3.35Å; E186-H189 PolarHBondContact O-N 2.88Å; H189-L191 VanDerWaalsContact C-N 3.32Å; H189-L191 PolarHBondContact O-N 3.37Å; H189-E192 PolarHBondContact O-N 2.86Å; H189-L193 WeakPolarHBondContact O-CG 3.46Å; H189-L193 PolarHBondContact O-N 3.43Å
190	K	83.3	Confident	80	Confident	112 Å²	112	81.3 Å²	81.3	49%	0.487	40%	0.396	S	S	.	.	H	α-helix	trans	-63.5	-37.5	172.4	-74.1	173.2	-175.8	168.6	0	112.6	E186 T187 L188 E194 N199	E186-K190 WeakPolarHBondContact O-CG 3.21Å; E186-K190 PolarHBondContact O-N 3.18Å; T187-K190 PolarHBondContact O-N 2.88Å; L188-K190 VanDerWaalsContact C-N 3.3Å; L188-K190 PolarHBondContact O-N 3.42Å; K190-E194 PolarHBondContact O-N 2.88Å; K190-N199 PolarHBondContact O-ND2 3.18Å
191	L	64.9	Low	80.3	Confident	30 Å²	30	87.2 Å²	87.2	16%	0.157	42%	0.417	C	S	.	.	H	α-helix	trans	-68.8	-38.2	176.7	179	62.9	0	0	0	112	T187 L188 H189 E194 D195 N199 R200 F203	T187-L191 WeakPolarHBondContact O-CB 3.34Å; T187-L191 PolarHBondContact O-N 2.74Å; L188-L191 CarbonylContact O-C 3.59Å; L188-L191 WeakPolarHBondContact O-CA 3.48Å; L188-L191 WeakPolarHBondContact O-CB 3.34Å; L188-L191 PolarHBondContact O-N 3.15Å; H189-L191 VanDerWaalsContact C-N 3.32Å; H189-L191 PolarHBondContact O-N 3.37Å; L191-E194 CarbonylContact O-C 3.58Å; L191-E194 VanDerWaalsContact O-C 3.24Å; L191-E194 PolarHBondContact O-N 3.37Å; L191-D195 PolarHBondContact O-N 2.81Å; L191-N199 HydrophobicContact CB-CB 4.3Å; L191-N199 HydrophobicContact CD1-CB 3.94Å; L191-R200 HydrophobicContact CD1-CB 4.35Å; L191-R200 HydrophobicContact CD1-CG 3.54Å; L191-F203 HydrophobicContact CD2-CB 4.03Å; L191-F203 HydrophobicContact CD2-CD1 4.02Å; L191-F203 HydrophobicContact CD2-CG 4.08Å
192	E	72.3	Confident	80.8	Confident	138 Å²	138	89.3 Å²	89.3	65%	0.645	42%	0.423	S	S	*	.	H	α-helix	trans	-66.8	-36.7	175.7	-71.2	172	166	0	0	112.2	L188 H189	L188-E192 HydrophobicContact CD1-CG 4.46Å; L188-E192 WeakPolarHBondContact O-CG 3.5Å; L188-E192 PolarHBondContact O-N 3.41Å; H189-E192 PolarHBondContact O-N 2.86Å
193	L	89.4	Confident	80.6	Confident	129 Å²	129	87.5 Å²	87.5	68%	0.675	41%	0.409	S	S	*	.	H	α-helix	trans	-72.4	-40.1	175	-71.9	172.8	0	0	0	112.6	H189	H189-L193 WeakPolarHBondContact O-CG 3.46Å; H189-L193 PolarHBondContact O-N 3.43Å
194	E	90.7	Very high	80.3	Confident	125 Å²	125	90.1 Å²	90.1	58%	0.584	42%	0.423	S	S	*	.			trans	-143.6	107.2	-179.5	-172.1	-170.5	178	0	0	111.2	K190 L191 S196 N199	K190-E194 PolarHBondContact O-N 2.88Å; L191-E194 CarbonylContact O-C 3.58Å; L191-E194 VanDerWaalsContact O-C 3.24Å; L191-E194 PolarHBondContact O-N 3.37Å; E194-S196 PolarHBondContact O-N 2.76Å; E194-N199 PolarHBondContact O-ND2 2.79Å
195	D	88.3	Confident	80.7	Confident	101 Å²	101	92.3 Å²	92.3	54%	0.54	44%	0.436	S	S	.	.			trans	-78.1	71.8	177.7	-171.3	8.7	0	0	0	112.2	L191 R200	L191-D195 PolarHBondContact O-N 2.81Å; D195-R200 VanDerWaalsContact CG-NH2 3.35Å; D195-R200 IonicContact OD1-CZ 2.77Å; D195-R200 IonicContact OD1-NE 3.48Å; D195-R200 PolarHBondContact OD1-NE 2.9Å; D195-R200 IonicContact OD1-NH2 2.73Å; D195-R200 PolarHBondContact OD1-NH2 2.77Å; D195-R200 IonicContact OD2-CZ 3.63Å; D195-R200 IonicContact OD2-NE 2.77Å; D195-R200 IonicContact OD2-NH2 3.82Å; D195-R200 PolarHBondContact OD2-NH2 2.83Å
196	S	91.4	Very high	81	Confident	27 Å²	27	89.4 Å²	89.4	19%	0.189	42%	0.418	C	S	.	.			trans	-100.6	153.4	177.9	80.1	0	0	0	0	112.1	E194 V198 N199 R200	E194-S196 PolarHBondContact O-N 2.76Å; S196-V198 PolarHBondContact O-N 3.03Å; S196-V198 VanDerWaalsContact O-N 3.1Å; S196-V198 PolarHBondContact OG-N 3.1Å; S196-N199 PolarHBondContact O-N 3.26Å; S196-N199 VanDerWaalsContact O-N 3.1Å; S196-N199 WeakPolarHBondContact OG-CB 3.31Å; S196-N199 VanDerWaalsContact OG-CG 3.26Å; S196-N199 PolarHBondContact OG-N 3.34Å; S196-N199 VanDerWaalsContact OG-N 3.08Å; S196-N199 PolarHBondContact OG-ND2 3.09Å; S196-R200 PolarHBondContact O-N 3.11Å
197	K	91.1	Very high	80.6	Confident	157 Å²	157	86.5 Å²	86.5	68%	0.683	41%	0.406	S	S	*	.	H	α-helix	trans	-58.3	-25.2	173.8	-172.4	176.8	-179.4	176.4	0	112.8	R201	K197-R201 WeakPolarHBondContact O-CG 3.44Å; K197-R201 PolarHBondContact O-N 2.74Å; K197-R201 PolarHBondContact O-NE 3.45Å
198	V	95.1	Very high	80.9	Confident	100 Å²	100	92.2 Å²	92.2	61%	0.606	43%	0.43	S	S	*	.	H	α-helix	trans	-75.2	-49	176.1	178.3	0	0	0	0	109.7	S196 R200 R201 R202	S196-V198 PolarHBondContact O-N 3.03Å; S196-V198 VanDerWaalsContact O-N 3.1Å; S196-V198 PolarHBondContact OG-N 3.1Å; V198-R200 PolarHBondContact O-N 3.33Å; V198-R201 PolarHBondContact O-N 2.74Å; V198-R202 PolarHBondContact O-N 3.16Å
199	N	77.5	Confident	82.1	Confident	28 Å²	28	93 Å²	93	15%	0.15	43%	0.434	C	S	.	.	H	α-helix	trans	-63.7	-41.5	179.4	-66.9	-17.1	0	0	0	111.7	K190 L191 E194 S196 R201 R202 F203	K190-N199 PolarHBondContact O-ND2 3.18Å; L191-N199 HydrophobicContact CB-CB 4.3Å; L191-N199 HydrophobicContact CD1-CB 3.94Å; E194-N199 PolarHBondContact O-ND2 2.79Å; S196-N199 PolarHBondContact O-N 3.26Å; S196-N199 VanDerWaalsContact O-N 3.1Å; S196-N199 WeakPolarHBondContact OG-CB 3.31Å; S196-N199 VanDerWaalsContact OG-CG 3.26Å; S196-N199 PolarHBondContact OG-N 3.34Å; S196-N199 VanDerWaalsContact OG-N 3.08Å; S196-N199 PolarHBondContact OG-ND2 3.09Å; N199-R201 PolarHBondContact O-N 3.4Å; N199-R202 PolarHBondContact O-N 3.01Å; N199-F203 WeakPolarHBondContact O-CB 3.44Å; N199-F203 PolarHBondContact O-N 3.33Å
200	R	74.8	Confident	82.6	Confident	134 Å²	134	88.4 Å²	88.4	51%	0.506	41%	0.413	S	S	.	.	H	α-helix	trans	-57.4	-48.4	174.1	-73.5	-172.5	-175.7	-145.2	0.9	112	L191 D195 S196 V198 R202 F203 I204	L191-R200 HydrophobicContact CD1-CB 4.35Å; L191-R200 HydrophobicContact CD1-CG 3.54Å; D195-R200 VanDerWaalsContact CG-NH2 3.35Å; D195-R200 IonicContact OD1-CZ 2.77Å; D195-R200 IonicContact OD1-NE 3.48Å; D195-R200 PolarHBondContact OD1-NE 2.9Å; D195-R200 IonicContact OD1-NH2 2.73Å; D195-R200 PolarHBondContact OD1-NH2 2.77Å; D195-R200 IonicContact OD2-CZ 3.63Å; D195-R200 IonicContact OD2-NE 2.77Å; D195-R200 IonicContact OD2-NH2 3.82Å; D195-R200 PolarHBondContact OD2-NH2 2.83Å; S196-R200 PolarHBondContact O-N 3.11Å; V198-R200 PolarHBondContact O-N 3.33Å; R200-R202 VanDerWaalsContact C-N 3.32Å; R200-R202 PolarHBondContact O-N 2.73Å; R200-F203 PolarHBondContact O-N 3.01Å; R200-I204 WeakPolarHBondContact O-CD1 3.4Å; R200-I204 VanDerWaalsContact O-CG1 3.24Å; R200-I204 WeakPolarHBondContact O-CG1 3.14Å; R200-I204 PolarHBondContact O-N 3.26Å
201	R	89.2	Confident	82.3	Confident	154 Å²	154	84.8 Å²	84.8	58%	0.581	40%	0.4	S	S	*	.	H	α-helix	trans	-63.3	-40.2	179.1	-84.4	-171.4	-85.4	179.4	-4.4	111.8	K197 V198 N199 Q205	K197-R201 WeakPolarHBondContact O-CG 3.44Å; K197-R201 PolarHBondContact O-N 2.74Å; K197-R201 PolarHBondContact O-NE 3.45Å; V198-R201 PolarHBondContact O-N 2.74Å; N199-R201 PolarHBondContact O-N 3.4Å; R201-Q205 WeakPolarHBondContact O-CB 3.46Å; R201-Q205 PolarHBondContact O-N 3.36Å; R201-Q205 VanDerWaalsContact O-N 3.12Å
202	R	87.7	Confident	83.2	Confident	112 Å²	112	88 Å²	88	42%	0.423	41%	0.414	S	S	.	.	H	α-helix	trans	-66.2	-47	178.5	-172.9	61.4	178.4	-173.2	-1.6	111.5	E183 T187 V198 N199 R200 Q205 C206	E183-R202 IonicContact OE1-CZ 3.73Å; E183-R202 IonicContact OE1-NE 3.02Å; E183-R202 IonicContact OE1-NH2 3.91Å; E183-R202 PolarHBondContact OE1-NH2 2.78Å; T187-R202 HydrophobicContact CG2-CG 3.61Å; V198-R202 PolarHBondContact O-N 3.16Å; N199-R202 PolarHBondContact O-N 3.01Å; R200-R202 VanDerWaalsContact C-N 3.32Å; R200-R202 PolarHBondContact O-N 2.73Å; R202-Q205 PolarHBondContact O-N 3.24Å; R202-C206 PolarHBondContact O-N 2.86Å; R202-C206 PolarHBondContact O-SG 3.44Å; R202-C206 VanDerWaalsContact O-SG 3.39Å
203	F	75.4	Confident	83.7	Confident	36 Å²	36	82.3 Å²	82.3	16%	0.158	39%	0.391	C	S	.	.	H	α-helix	trans	-59.1	-49.2	176.9	174.6	-105.1	0	0	0	111.7	R184 L188 L191 N199 R200 Q205 C206 D207	R184-F203 HydrophobicContact CG-CE2 4.09Å; L188-F203 HydrophobicContact CB-CD2 3.86Å; L188-F203 HydrophobicContact CB-CE2 3.7Å; L188-F203 HydrophobicContact CD1-CD2 4.23Å; L188-F203 HydrophobicContact CD1-CE2 3.84Å; L188-F203 HydrophobicContact CD1-CZ 4.04Å; L188-F203 HydrophobicContact CD2-CE2 4.48Å; L188-F203 HydrophobicContact CG-CE2 4.21Å; L191-F203 HydrophobicContact CD2-CB 4.03Å; L191-F203 HydrophobicContact CD2-CD1 4.02Å; L191-F203 HydrophobicContact CD2-CG 4.08Å; N199-F203 WeakPolarHBondContact O-CB 3.44Å; N199-F203 PolarHBondContact O-N 3.33Å; R200-F203 PolarHBondContact O-N 3.01Å; F203-Q205 PolarHBondContact O-N 2.74Å; F203-C206 PolarHBondContact O-N 3.17Å; F203-D207 HydrophobicContact CE1-CB 4.36Å; F203-D207 HydrophobicContact CE2-CB 4.4Å; F203-D207 HydrophobicContact CZ-CB 4.19Å; F203-D207 WeakPolarHBondContact O-CB 3.22Å; F203-D207 PolarHBondContact O-N 3.28Å
204	I	74.2	Confident	83.1	Confident	110 Å²	110	76.9 Å²	76.9	56%	0.564	36%	0.364	S	S	*	.	H	α-helix	trans	-56.8	-40.6	177.9	-68.7	165.1	0	0	0	111.3	R200 K208	R200-I204 WeakPolarHBondContact O-CD1 3.4Å; R200-I204 VanDerWaalsContact O-CG1 3.24Å; R200-I204 WeakPolarHBondContact O-CG1 3.14Å; R200-I204 PolarHBondContact O-N 3.26Å; I204-K208 WeakPolarHBondContact O-CB 3.41Å; I204-K208 PolarHBondContact O-N 3.33Å
205	Q	88.6	Confident	82.5	Confident	105 Å²	105	72.9 Å²	72.9	49%	0.491	35%	0.346	S	S	.	.	H	α-helix	trans	-66	-47.4	178.2	-174.3	177.2	10.8	0	0	112	R201 R202 F203 K208 L209	R201-Q205 WeakPolarHBondContact O-CB 3.46Å; R201-Q205 PolarHBondContact O-N 3.36Å; R201-Q205 VanDerWaalsContact O-N 3.12Å; R202-Q205 PolarHBondContact O-N 3.24Å; F203-Q205 PolarHBondContact O-N 2.74Å; Q205-K208 PolarHBondContact O-N 3.39Å; Q205-L209 HydrophobicContact CG-CD1 4.42Å; Q205-L209 WeakPolarHBondContact O-CG 3.48Å; Q205-L209 PolarHBondContact O-N 3.31Å; Q205-L209 VanDerWaalsContact O-N 3.1Å
206	C	76	Confident	82.3	Confident	1 Å²	1	73.3 Å²	73.3	1%	0.007	35%	0.345	C	S	.	.	H	α-helix	trans	-68.3	-37.4	179.7	-64.8	0	0	0	0	112	E183 R184 T187 R202 F203 L209 Y210	E183-C206 PolarHBondContact OE1-SG 2.96Å; E183-C206 VanDerWaalsContact OE1-SG 3.38Å; R184-C206 HydrophobicContact CB-CB 4.38Å; T187-C206 HydrophobicContact CG2-CB 4.41Å; R202-C206 PolarHBondContact O-N 2.86Å; R202-C206 PolarHBondContact O-SG 3.44Å; R202-C206 VanDerWaalsContact O-SG 3.39Å; F203-C206 PolarHBondContact O-N 3.17Å; C206-L209 PolarHBondContact O-N 2.85Å; C206-Y210 VanDerWaalsContact O-CB 3.31Å; C206-Y210 WeakPolarHBondContact O-CB 3.36Å; C206-Y210 PolarHBondContact O-N 3.43Å
207	D	74.3	Confident	81.6	Confident	45 Å²	45	72.6 Å²	72.6	24%	0.241	34%	0.34	C	S	.	.	H	α-helix	trans	-62.5	-44.2	175.3	-175.4	74.5	0	0	0	111.5	R184 F203 Y210 T211	R184-D207 IonicContact CZ-OD1 3.63Å; R184-D207 IonicContact NE-OD1 2.79Å; R184-D207 PolarHBondContact NE-OD1 2.86Å; R184-D207 IonicContact NH2-OD1 3.44Å; R184-D207 PolarHBondContact NH2-OD1 3.38Å; F203-D207 HydrophobicContact CE1-CB 4.36Å; F203-D207 HydrophobicContact CE2-CB 4.4Å; F203-D207 HydrophobicContact CZ-CB 4.19Å; F203-D207 WeakPolarHBondContact O-CB 3.22Å; F203-D207 PolarHBondContact O-N 3.28Å; D207-Y210 PolarHBondContact O-N 3.03Å; D207-T211 WeakPolarHBondContact O-CB 3.43Å; D207-T211 PolarHBondContact O-N 2.99Å; D207-T211 PolarHBondContact O-OG1 3.46Å
208	K	82.7	Confident	80.7	Confident	128 Å²	128	67.2 Å²	67.2	56%	0.557	32%	0.317	S	S	*	.	H	α-helix	trans	-59.9	-50.9	173.8	-179.1	179	172.9	180	0	111.9	I204 Q205 Y210 T211 E212	I204-K208 WeakPolarHBondContact O-CB 3.41Å; I204-K208 PolarHBondContact O-N 3.33Å; Q205-K208 PolarHBondContact O-N 3.39Å; K208-Y210 PolarHBondContact O-N 3.49Å; K208-T211 PolarHBondContact O-N 2.75Å; K208-E212 WeakPolarHBondContact CE-OE1 3.21Å; K208-E212 IonicContact NZ-OE1 3.45Å; K208-E212 WeakPolarHBondContact O-CG 3.33Å; K208-E212 PolarHBondContact O-N 2.64Å
209	L	87.6	Confident	79.9	Confident	70 Å²	70	68.4 Å²	68.4	37%	0.366	31%	0.314	S	S	.	.	H	α-helix	trans	-61.8	-43.6	-179.5	-71.1	172.4	0	0	0	111.8	L180 Q205 C206 E212 A213	L180-L209 HydrophobicContact CD2-CB 4.02Å; Q205-L209 HydrophobicContact CG-CD1 4.42Å; Q205-L209 WeakPolarHBondContact O-CG 3.48Å; Q205-L209 PolarHBondContact O-N 3.31Å; Q205-L209 VanDerWaalsContact O-N 3.1Å; C206-L209 PolarHBondContact O-N 2.85Å; L209-E212 PolarHBondContact O-N 3.44Å; L209-A213 WeakPolarHBondContact O-CB 3.36Å; L209-A213 PolarHBondContact O-N 3.39Å
210	Y	80.4	Confident	79.7	Confident	14 Å²	14	69.7 Å²	69.7	6%	0.055	33%	0.329	C	S	.	.	H	α-helix	trans	-62	-43	175.2	169.2	-104.2	0	0	0	111.6	R170 L173 L180 F181 C206 D207 K208 E212 A213 S214	R170-Y210 PolarHBondContact NE-OH 3.48Å; R170-Y210 PolarHBondContact NH1-OH 3.31Å; L173-Y210 HydrophobicContact CD1-CE2 4.01Å; L173-Y210 HydrophobicContact CD2-CE2 4.19Å; L180-Y210 HydrophobicContact CB-CD2 4.35Å; F181-Y210 HydrophobicContact CB-CD2 3.84Å; F181-Y210 HydrophobicContact CB-CE2 3.59Å; F181-Y210 HydrophobicContact CD2-CD2 4.36Å; F181-Y210 HydrophobicContact CD2-CE1 4.37Å; F181-Y210 AromaticContact CD2-CE2 3.68Å; F181-Y210 HydrophobicContact CD2-CE2 3.68Å; F181-Y210 AromaticContact CD2-CZ 3.69Å; F181-Y210 HydrophobicContact CG-CE2 4.09Å; C206-Y210 VanDerWaalsContact O-CB 3.31Å; C206-Y210 WeakPolarHBondContact O-CB 3.36Å; C206-Y210 PolarHBondContact O-N 3.43Å; D207-Y210 PolarHBondContact O-N 3.03Å; K208-Y210 PolarHBondContact O-N 3.49Å; Y210-E212 PolarHBondContact O-N 2.96Å; Y210-A213 PolarHBondContact O-N 3.49Å; Y210-S214 WeakPolarHBondContact O-CA 3.31Å; Y210-S214 WeakPolarHBondContact O-CB 3.38Å; Y210-S214 PolarHBondContact O-N 3.34Å
211	T	76.5	Confident	79.6	Confident	37 Å²	37	65.3 Å²	65.3	23%	0.227	31%	0.312	C	S	.	.	H	α-helix	trans	-63.2	-43.7	179.8	-59.7	0	0	0	0	111.5	D207 K208 S214 N215	D207-T211 WeakPolarHBondContact O-CB 3.43Å; D207-T211 PolarHBondContact O-N 2.99Å; D207-T211 PolarHBondContact O-OG1 3.46Å; K208-T211 PolarHBondContact O-N 2.75Å; T211-S214 WeakPolarHBondContact O-CB 3.44Å; T211-S214 PolarHBondContact O-N 2.95Å; T211-N215 PolarHBondContact O-N 3.45Å; T211-N215 PolarHBondContact O-ND2 3.18Å
212	E	85.1	Confident	78.7	Confident	96 Å²	96	59.9 Å²	59.9	45%	0.449	29%	0.293	S	S	.	.	H	α-helix	trans	-62	-50.4	175.9	-71.9	171.8	-178.1	0	0	111.3	K208 L209 Y210 S214 N215 E216	K208-E212 WeakPolarHBondContact CE-OE1 3.21Å; K208-E212 IonicContact NZ-OE1 3.45Å; K208-E212 WeakPolarHBondContact O-CG 3.33Å; K208-E212 PolarHBondContact O-N 2.64Å; L209-E212 PolarHBondContact O-N 3.44Å; Y210-E212 PolarHBondContact O-N 2.96Å; E212-S214 VanDerWaalsContact C-N 3.31Å; E212-S214 PolarHBondContact O-N 3.28Å; E212-N215 PolarHBondContact O-N 3.02Å; E212-E216 PolarHBondContact O-N 3.23Å; E212-E216 VanDerWaalsContact O-N 3.14Å
213	A	82.8	Confident	77.9	Confident	19 Å²	19	58.8 Å²	58.8	16%	0.157	30%	0.296	C	S	.	.	H	α-helix	trans	-63.9	-37.2	178.2	0	0	0	0	0	112.6	L180 L209 Y210 E216 C217	L180-A213 HydrophobicContact CD1-CB 3.44Å; L180-A213 VanDerWaalsContact CD1-CB 3.44Å; L209-A213 WeakPolarHBondContact O-CB 3.36Å; L209-A213 PolarHBondContact O-N 3.39Å; Y210-A213 PolarHBondContact O-N 3.49Å; A213-E216 PolarHBondContact O-N 3.49Å; A213-C217 WeakPolarHBondContact O-CB 3.36Å; A213-C217 PolarHBondContact O-N 3.48Å; A213-C217 PolarHBondContact O-SG 2.95Å
214	S	76.1	Confident	77.7	Confident	16 Å²	16	60.7 Å²	60.7	11%	0.112	31%	0.307	C	S	.	.	H	α-helix	trans	-59.2	-51.5	175.1	167.4	0	0	0	0	110.4	W172 Y210 T211 E212 E216 C217 E218	W172-S214 WeakPolarHBondContact CH2-OG 3.2Å; W172-S214 WeakPolarHBondContact CZ3-O 3.43Å; Y210-S214 WeakPolarHBondContact O-CA 3.31Å; Y210-S214 WeakPolarHBondContact O-CB 3.38Å; Y210-S214 PolarHBondContact O-N 3.34Å; T211-S214 WeakPolarHBondContact O-CB 3.44Å; T211-S214 PolarHBondContact O-N 2.95Å; E212-S214 VanDerWaalsContact C-N 3.31Å; E212-S214 PolarHBondContact O-N 3.28Å; S214-E216 VanDerWaalsContact C-N 3.27Å; S214-E216 PolarHBondContact O-N 3.03Å; S214-C217 PolarHBondContact O-N 2.87Å; S214-E218 WeakPolarHBondContact O-CB 3.3Å; S214-E218 PolarHBondContact O-N 2.99Å
215	N	78.2	Confident	77.2	Confident	40 Å²	40	56 Å²	56	21%	0.214	28%	0.283	C	S	.	.	H	α-helix	trans	-62.3	-36.4	-179.7	-68.8	-21	0	0	0	112.1	R46 T211 E212 K219	R46-N215 PolarHBondContact NH2-OD1 2.93Å; T211-N215 PolarHBondContact O-N 3.45Å; T211-N215 PolarHBondContact O-ND2 3.18Å; E212-N215 PolarHBondContact O-N 3.02Å; N215-K219 VanDerWaalsContact O-CG 3.29Å; N215-K219 WeakPolarHBondContact O-CG 3.37Å; N215-K219 PolarHBondContact O-N 3.03Å
216	E	84.4	Confident	76.2	Confident	110 Å²	110	55 Å²	55	51%	0.514	28%	0.281	S	S	.	.	H	α-helix	trans	-70.6	-41.9	176.5	-68.5	-54.3	127.1	0	0	112.8	E212 A213 S214 E218 K219 A220	E212-E216 PolarHBondContact O-N 3.23Å; E212-E216 VanDerWaalsContact O-N 3.14Å; A213-E216 PolarHBondContact O-N 3.49Å; S214-E216 VanDerWaalsContact C-N 3.27Å; S214-E216 PolarHBondContact O-N 3.03Å; E216-E218 VanDerWaalsContact C-N 3.29Å; E216-E218 PolarHBondContact O-N 3.34Å; E216-K219 PolarHBondContact O-N 2.99Å; E216-K219 IonicContact OE1-NZ 2.76Å; E216-K219 PolarHBondContact OE1-NZ 2.75Å; E216-A220 WeakPolarHBondContact O-CB 3.13Å; E216-A220 PolarHBondContact O-N 2.76Å
217	C	76.4	Confident	75.8	Confident	12 Å²	12	60.1 Å²	60.1	8%	0.081	30%	0.304	C	S	.	.	H	α-helix	trans	-63	-39	174.6	-67	0	0	0	0	111.2	W172 L173 D174 A213 S214 A220 W221	W172-C217 HydrophobicContact CE3-CB 3.43Å; W172-C217 VanDerWaalsContact CE3-CB 3.43Å; W172-C217 HydrophobicContact CZ3-CB 3.62Å; W172-C217 WeakPolarHBondContact O-CB 3.32Å; L173-C217 HydrophobicContact CD2-CB 4.39Å; D174-C217 PolarHBondContact OD1-SG 3.27Å; D174-C217 VanDerWaalsContact OD1-SG 3.33Å; A213-C217 WeakPolarHBondContact O-CB 3.36Å; A213-C217 PolarHBondContact O-N 3.48Å; A213-C217 PolarHBondContact O-SG 2.95Å; S214-C217 PolarHBondContact O-N 2.87Å; C217-A220 PolarHBondContact O-N 3.48Å; C217-W221 VanDerWaalsContact O-CB 3.29Å; C217-W221 WeakPolarHBondContact O-CB 3.39Å; C217-W221 PolarHBondContact O-N 3.33Å
218	E	72	Confident	75.3	Confident	45 Å²	45	60.7 Å²	60.7	21%	0.21	31%	0.306	C	S	.	.	H	α-helix	trans	-62.4	-47.3	176.2	-172.1	-170.1	165.1	0	0	111.2	R46 W172 S214 E216 A220 W221 F222	R46-E218 IonicContact CZ-OE1 2.67Å; R46-E218 IonicContact CZ-OE2 3.22Å; R46-E218 IonicContact NH1-OE1 3.47Å; R46-E218 PolarHBondContact NH1-OE1 3.16Å; R46-E218 IonicContact NH1-OE2 3.41Å; R46-E218 PolarHBondContact NH1-OE2 3.5Å; R46-E218 IonicContact NH2-OE1 3.17Å; R46-E218 PolarHBondContact NH2-OE1 2.98Å; R46-E218 IonicContact NH2-OE2 2.76Å; R46-E218 PolarHBondContact NH2-OE2 2.89Å; W172-E218 HydrophobicContact CE3-CB 4.29Å; W172-E218 HydrophobicContact CZ3-CB 4.32Å; S214-E218 WeakPolarHBondContact O-CB 3.3Å; S214-E218 PolarHBondContact O-N 2.99Å; E216-E218 VanDerWaalsContact C-N 3.29Å; E216-E218 PolarHBondContact O-N 3.34Å; E218-A220 PolarHBondContact O-N 3.08Å; E218-W221 WeakPolarHBondContact O-CB 3.41Å; E218-W221 PolarHBondContact O-N 3.48Å; E218-F222 HydrophobicContact CG-CD2 3.93Å; E218-F222 HydrophobicContact CG-CE2 3.52Å; E218-F222 HydrophobicContact CG-CZ 4.39Å; E218-F222 VanDerWaalsContact O-CD2 3.28Å; E218-F222 WeakPolarHBondContact O-CD2 3.12Å; E218-F222 PolarHBondContact O-N 3.02Å; E218-F222 WeakPolarHBondContact OE1-CE2 3.33Å
219	K	77.8	Confident	74.2	Confident	124 Å²	124	55.4 Å²	55.4	54%	0.539	28%	0.283	S	S	.	.	H	α-helix	trans	-59.8	-45.3	174.6	-72.2	170.9	-170.6	170.6	0	112.4	N215 E216 W221 F222 N223	N215-K219 VanDerWaalsContact O-CG 3.29Å; N215-K219 WeakPolarHBondContact O-CG 3.37Å; N215-K219 PolarHBondContact O-N 3.03Å; E216-K219 PolarHBondContact O-N 2.99Å; E216-K219 IonicContact OE1-NZ 2.76Å; E216-K219 PolarHBondContact OE1-NZ 2.75Å; K219-W221 VanDerWaalsContact C-N 3.27Å; K219-W221 PolarHBondContact O-N 3.38Å; K219-F222 PolarHBondContact O-N 3.32Å; K219-N223 PolarHBondContact O-N 2.87Å
220	A	74.6	Confident	73.1	Confident	55 Å²	55	57.2 Å²	57.2	46%	0.455	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-40.8	178.4	0	0	0	0	0	111	E216 C217 E218 N223 I224	E216-A220 WeakPolarHBondContact O-CB 3.13Å; E216-A220 PolarHBondContact O-N 2.76Å; C217-A220 PolarHBondContact O-N 3.48Å; E218-A220 PolarHBondContact O-N 3.08Å; A220-N223 PolarHBondContact O-N 2.85Å; A220-I224 WeakPolarHBondContact O-CG1 3.43Å; A220-I224 PolarHBondContact O-N 3.46Å; A220-I224 VanDerWaalsContact O-N 3.09Å
221	W	72.4	Confident	72.5	Confident	42 Å²	42	60.3 Å²	60.3	16%	0.159	31%	0.314	C	S	.	.	H	α-helix	trans	-65	-45.8	176.7	-173.7	-111.7	0	0	0	112.5	W172 C217 E218 K219 N223 I224 I225	W172-W221 HydrophobicContact CB-CB 3.81Å; W172-W221 HydrophobicContact CB-CD2 3.9Å; W172-W221 HydrophobicContact CB-CE3 4.4Å; W172-W221 HydrophobicContact CB-CG 3.6Å; C217-W221 VanDerWaalsContact O-CB 3.29Å; C217-W221 WeakPolarHBondContact O-CB 3.39Å; C217-W221 PolarHBondContact O-N 3.33Å; E218-W221 WeakPolarHBondContact O-CB 3.41Å; E218-W221 PolarHBondContact O-N 3.48Å; K219-W221 VanDerWaalsContact C-N 3.27Å; K219-W221 PolarHBondContact O-N 3.38Å; W221-N223 VanDerWaalsContact C-N 3.28Å; W221-N223 PolarHBondContact O-N 3.29Å; W221-I224 HydrophobicContact CE3-CD1 4.07Å; W221-I224 HydrophobicContact CZ3-CD1 4.43Å; W221-I224 WeakPolarHBondContact O-CB 3.45Å; W221-I224 PolarHBondContact O-N 2.82Å; W221-I224 VanDerWaalsContact O-N 3.11Å; W221-I225 HydrophobicContact CG-CD1 4.34Å; W221-I225 WeakPolarHBondContact O-CG1 3.29Å; W221-I225 PolarHBondContact O-N 3.22Å
222	F	69.1	Low	71.6	Confident	41 Å²	41	62.2 Å²	62.2	18%	0.18	33%	0.328	C	S	.	.	H	α-helix	trans	-59.5	-39.7	174.8	-77.6	-50.7	0	0	0	112.5	I135 L143 E218 K219 I224 I225 D226	I135-F222 HydrophobicContact CG2-CD1 3.48Å; I135-F222 VanDerWaalsContact CG2-CD1 3.48Å; I135-F222 HydrophobicContact CG2-CE1 3.51Å; I135-F222 WeakPolarHBondContact O-CE1 3.46Å; L143-F222 HydrophobicContact CD1-CE1 4.24Å; E218-F222 HydrophobicContact CG-CD2 3.93Å; E218-F222 HydrophobicContact CG-CE2 3.52Å; E218-F222 HydrophobicContact CG-CZ 4.39Å; E218-F222 VanDerWaalsContact O-CD2 3.28Å; E218-F222 WeakPolarHBondContact O-CD2 3.12Å; E218-F222 PolarHBondContact O-N 3.02Å; E218-F222 WeakPolarHBondContact OE1-CE2 3.33Å; K219-F222 PolarHBondContact O-N 3.32Å; F222-I224 VanDerWaalsContact C-N 3.33Å; F222-I224 PolarHBondContact O-N 2.89Å; F222-I225 HydrophobicContact CD1-CD1 4.27Å; F222-I225 PolarHBondContact O-N 3.43Å; F222-I225 VanDerWaalsContact O-N 3.14Å; F222-D226 PolarHBondContact O-N 2.86Å
223	N	72.4	Confident	70.1	Confident	89 Å²	89	62.7 Å²	62.7	48%	0.476	33%	0.333	S	S	.	.	H	α-helix	trans	-63	-39.2	175.5	-168	-8.9	0	0	0	112.2	K219 A220 W221 I225 D226 Q227	K219-N223 PolarHBondContact O-N 2.87Å; A220-N223 PolarHBondContact O-N 2.85Å; W221-N223 VanDerWaalsContact C-N 3.28Å; W221-N223 PolarHBondContact O-N 3.29Å; N223-I225 VanDerWaalsContact C-N 3.31Å; N223-I225 PolarHBondContact O-N 3.49Å; N223-D226 PolarHBondContact O-N 2.83Å; N223-Q227 VanDerWaalsContact O-CG 3.25Å; N223-Q227 WeakPolarHBondContact O-CG 3.41Å; N223-Q227 PolarHBondContact O-N 3.36Å; N223-Q227 PolarHBondContact OD1-NE2 3.11Å
224	I	69.8	Low	69.1	Low	75 Å²	75	64.3 Å²	64.3	39%	0.385	35%	0.346	S	S	.	.	H	α-helix	trans	-60.5	-44.3	173.4	-68.3	164.9	0	0	0	110.2	A220 W221 F222 Q227 E228	A220-I224 WeakPolarHBondContact O-CG1 3.43Å; A220-I224 PolarHBondContact O-N 3.46Å; A220-I224 VanDerWaalsContact O-N 3.09Å; W221-I224 HydrophobicContact CE3-CD1 4.07Å; W221-I224 HydrophobicContact CZ3-CD1 4.43Å; W221-I224 WeakPolarHBondContact O-CB 3.45Å; W221-I224 PolarHBondContact O-N 2.82Å; W221-I224 VanDerWaalsContact O-N 3.11Å; F222-I224 VanDerWaalsContact C-N 3.33Å; F222-I224 PolarHBondContact O-N 2.89Å; I224-Q227 WeakPolarHBondContact O-CB 3.35Å; I224-Q227 PolarHBondContact O-N 3.49Å; I224-E228 PolarHBondContact O-N 3.21Å
225	I	64.1	Low	67.9	Low	13 Å²	13	68.8 Å²	68.8	7%	0.067	38%	0.375	C	S	.	.	H	α-helix	trans	-66	-44.2	179.6	-61.2	163.7	0	0	0	111.3	I135 L143 W221 F222 N223 Q227 E228 I229	I135-I225 HydrophobicContact CD1-CG2 3.28Å; I135-I225 HydrophobicContact CG1-CG2 4.1Å; I135-I225 HydrophobicContact CG2-CD1 4.19Å; I135-I225 HydrophobicContact CG2-CG2 4.16Å; L143-I225 HydrophobicContact CD2-CD1 3.54Å; W221-I225 HydrophobicContact CG-CD1 4.34Å; W221-I225 WeakPolarHBondContact O-CG1 3.29Å; W221-I225 PolarHBondContact O-N 3.22Å; F222-I225 HydrophobicContact CD1-CD1 4.27Å; F222-I225 PolarHBondContact O-N 3.43Å; F222-I225 VanDerWaalsContact O-N 3.14Å; N223-I225 VanDerWaalsContact C-N 3.31Å; N223-I225 PolarHBondContact O-N 3.49Å; I225-Q227 VanDerWaalsContact C-N 3.26Å; I225-Q227 PolarHBondContact O-N 2.82Å; I225-E228 PolarHBondContact O-N 3.07Å; I225-E228 VanDerWaalsContact O-N 3.1Å; I225-I229 HydrophobicContact CG2-CD1 3.94Å; I225-I229 HydrophobicContact CG2-CG1 4.37Å; I225-I229 WeakPolarHBondContact O-CG1 3.36Å; I225-I229 PolarHBondContact O-N 2.83Å
226	D	66.6	Low	66.5	Low	83 Å²	83	74.8 Å²	74.8	44%	0.444	41%	0.406	S	S	.	.	H	α-helix	trans	-58.7	-39.2	176	-75.3	-23.3	0	0	0	111.6	F222 N223 I229 N230	F222-D226 PolarHBondContact O-N 2.86Å; N223-D226 PolarHBondContact O-N 2.83Å; D226-I229 PolarHBondContact O-N 3.43Å; D226-N230 WeakPolarHBondContact O-CB 3.36Å; D226-N230 PolarHBondContact O-N 2.97Å; D226-N230 PolarHBondContact O-ND2 2.87Å
227	Q	68.9	Low	64.4	Low	108 Å²	108	76 Å²	76	51%	0.505	42%	0.415	S	S	.	.	H	α-helix	trans	-63.7	-42.8	174.4	-73.1	171.6	24.4	0	0	112.1	N223 I224 I225 N230 T231	N223-Q227 VanDerWaalsContact O-CG 3.25Å; N223-Q227 WeakPolarHBondContact O-CG 3.41Å; N223-Q227 PolarHBondContact O-N 3.36Å; N223-Q227 PolarHBondContact OD1-NE2 3.11Å; I224-Q227 WeakPolarHBondContact O-CB 3.35Å; I224-Q227 PolarHBondContact O-N 3.49Å; I225-Q227 VanDerWaalsContact C-N 3.26Å; I225-Q227 PolarHBondContact O-N 2.82Å; Q227-N230 PolarHBondContact O-N 3.4Å; Q227-T231 WeakPolarHBondContact O-CB 3.39Å; Q227-T231 PolarHBondContact O-N 2.86Å; Q227-T231 PolarHBondContact O-OG1 3.18Å
228	E	63	Low	62.6	Low	57 Å²	57	80.6 Å²	80.6	27%	0.266	45%	0.445	S	S	.	.	H	α-helix	trans	-64.1	-44	176	-72.6	-64.8	154.1	0	0	111.4	R154 I224 I225 N230 T231 C232	R154-E228 IonicContact NH1-OE1 2.79Å; R154-E228 IonicContact NH1-OE2 2.74Å; R154-E228 PolarHBondContact NH1-OE2 3.03Å; I224-E228 PolarHBondContact O-N 3.21Å; I225-E228 PolarHBondContact O-N 3.07Å; I225-E228 VanDerWaalsContact O-N 3.1Å; E228-N230 VanDerWaalsContact C-N 3.35Å; E228-N230 PolarHBondContact O-N 3.39Å; E228-T231 WeakPolarHBondContact O-CB 3.33Å; E228-T231 PolarHBondContact O-N 3.26Å; E228-T231 VanDerWaalsContact O-N 3.15Å; E228-C232 PolarHBondContact O-N 3.45Å; E228-C232 PolarHBondContact O-SG 2.9Å; E228-C232 VanDerWaalsContact O-SG 3.37Å
229	I	60.4	Low	61	Low	18 Å²	18	87.2 Å²	87.2	9%	0.092	48%	0.476	C	S	.	.	H	α-helix	trans	-58.6	-47.8	175.3	-66.9	158.4	0	0	0	111	I132 I135 I225 D226 T231 C232 N233	I132-I229 HydrophobicContact CD1-CG1 4.14Å; I132-I229 HydrophobicContact CG1-CD1 4.38Å; I132-I229 HydrophobicContact CG1-CG1 4.06Å; I132-I229 HydrophobicContact CG2-CD1 3.57Å; I132-I229 HydrophobicContact CG2-CG1 3.85Å; I132-I229 HydrophobicContact CG2-CG2 4.03Å; I135-I229 HydrophobicContact CD1-CD1 3.52Å; I135-I229 HydrophobicContact CD1-CG1 4.35Å; I225-I229 HydrophobicContact CG2-CD1 3.94Å; I225-I229 HydrophobicContact CG2-CG1 4.37Å; I225-I229 WeakPolarHBondContact O-CG1 3.36Å; I225-I229 PolarHBondContact O-N 2.83Å; D226-I229 PolarHBondContact O-N 3.43Å; I229-T231 PolarHBondContact O-N 2.94Å; I229-C232 PolarHBondContact O-N 2.88Å; I229-N233 WeakPolarHBondContact CG2-ND2 3.06Å; I229-N233 WeakPolarHBondContact O-CB 3.32Å; I229-N233 PolarHBondContact O-N 3.28Å; I229-N233 PolarHBondContact O-ND2 3.45Å
230	N	63.8	Low	59	Low	108 Å²	108	88 Å²	88	58%	0.578	49%	0.486	S	S	*	.	H	α-helix	trans	-62.8	-35.9	179.2	-73.6	-36.7	0	0	0	111.6	D226 Q227 E228 N233 A234	D226-N230 WeakPolarHBondContact O-CB 3.36Å; D226-N230 PolarHBondContact O-N 2.97Å; D226-N230 PolarHBondContact O-ND2 2.87Å; Q227-N230 PolarHBondContact O-N 3.4Å; E228-N230 VanDerWaalsContact C-N 3.35Å; E228-N230 PolarHBondContact O-N 3.39Å; N230-N233 PolarHBondContact O-N 2.94Å; N230-A234 PolarHBondContact O-N 2.72Å
231	T	68.7	Low	57.2	Low	79 Å²	79	93.4 Å²	93.4	49%	0.485	50%	0.504	S	S	.	.	H	α-helix	trans	-66.6	-41.3	174.7	-55.5	0	0	0	0	111.3	Q227 E228 I229 N233 A234	Q227-T231 WeakPolarHBondContact O-CB 3.39Å; Q227-T231 PolarHBondContact O-N 2.86Å; Q227-T231 PolarHBondContact O-OG1 3.18Å; E228-T231 WeakPolarHBondContact O-CB 3.33Å; E228-T231 PolarHBondContact O-N 3.26Å; E228-T231 VanDerWaalsContact O-N 3.15Å; I229-T231 PolarHBondContact O-N 2.94Å; T231-N233 VanDerWaalsContact C-N 3.35Å; T231-A234 WeakPolarHBondContact O-CB 3.39Å; T231-A234 PolarHBondContact O-N 3.22Å
232	C	57.6	Low	55.4	Low	76 Å²	76	98.6 Å²	98.6	51%	0.514	54%	0.535	S	S	.	.	H	α-helix	trans	-67.6	-32.9	175.3	-69.6	0	0	0	0	113.2	E228 I229 A234	E228-C232 PolarHBondContact O-N 3.45Å; E228-C232 PolarHBondContact O-SG 2.9Å; E228-C232 VanDerWaalsContact O-SG 3.37Å; I229-C232 PolarHBondContact O-N 2.88Å; C232-A234 VanDerWaalsContact C-N 3.33Å
233	N	54.1	Low	53.7	Low	107 Å²	107	104.1 Å²	104.1	57%	0.572	57%	0.566	S	S	*	*	H	α-helix	trans	-84.3	-7.5	177.7	-73	-33.7	0	0	0	113.3	I229 N230 T231	I229-N233 WeakPolarHBondContact CG2-ND2 3.06Å; I229-N233 WeakPolarHBondContact O-CB 3.32Å; I229-N233 PolarHBondContact O-N 3.28Å; I229-N233 PolarHBondContact O-ND2 3.45Å; N230-N233 PolarHBondContact O-N 2.94Å; T231-N233 VanDerWaalsContact C-N 3.35Å
234	A	61.1	Low	51.8	Low	52 Å²	52	106.4 Å²	106.4	43%	0.43	58%	0.577	S	S	.	*	S	Bend	trans	-63.7	128.6	175.2	0	0	0	0	0	109	N230 T231 C232 I236	N230-A234 PolarHBondContact O-N 2.72Å; T231-A234 WeakPolarHBondContact O-CB 3.39Å; T231-A234 PolarHBondContact O-N 3.22Å; C232-A234 VanDerWaalsContact C-N 3.33Å; A234-I236 PolarHBondContact O-N 2.89Å; A234-I236 VanDerWaalsContact O-N 3.17Å
235	P	49.6	Very low	49.9	Very low	110 Å²	110	108.3 Å²	108.3	71%	0.714	60%	0.597	S	S	*	*			trans	-58.9	126.5	178.3	21.9	-29.9	0	0	0	108.8	L237	P235-L237 PolarHBondContact O-N 3.43Å
236	I	50.6	Low	48.3	Very low	166 Å²	166	116.7 Å²	116.7	85%	0.851	63%	0.633	S	S	*	*			trans	-62.5	92.7	172.1	-56.5	170.3	0	0	0	106.2	A234	A234-I236 PolarHBondContact O-N 2.89Å; A234-I236 VanDerWaalsContact O-N 3.17Å
237	L	39.5	Very low	46.6	Very low	135 Å²	135	116.2 Å²	116.2	71%	0.707	64%	0.641	S	S	*	*			trans	-61	132.4	161.3	-69	174.4	0	0	0	105.6	P235 E239	P235-L237 PolarHBondContact O-N 3.43Å; L237-E239 VanDerWaalsContact C-N 3.32Å; L237-E239 PolarHBondContact O-N 3.42Å
238	P	39.2	Very low	44.8	Very low	110 Å²	110	117.5 Å²	117.5	71%	0.714	66%	0.658	S	S	*	*			trans	-61.8	99.3	178.6	22.3	-29.4	0	0	0	108.9	D240	P238-D240 PolarHBondContact O-N 2.86Å
239	E	37	Very low	43.4	Very low	184 Å²	184	123.4 Å²	123.4	86%	0.86	69%	0.686	S	S	*	*	S	Bend	trans	-68.9	76.8	160.6	-68.9	-165.7	164.8	0	0	106.9	L237	L237-E239 VanDerWaalsContact C-N 3.32Å; L237-E239 PolarHBondContact O-N 3.42Å
240	D	35.7	Very low	42.2	Very low	141 Å²	141	128.8 Å²	128.8	75%	0.754	72%	0.719	S	S	*	*			trans	176.2	67.1	153.9	-87.5	-26.5	0	0	0	109.9	P238	P238-D240 PolarHBondContact O-N 2.86Å
241	M	37.2	Very low	40.7	Very low	168 Å²	168	128.5 Å²	128.5	83%	0.828	73%	0.732	S	S	*	*	S	Bend	trans	-118.9	31.8	153.6	-85.3	-76.9	-143.1	0	0	110.2
242	N	36.1	Very low	39.1	Very low	151 Å²	151	128.9 Å²	128.9	81%	0.807	74%	0.743	S	S	*	*	S	Bend	trans	-117.7	14.8	-179.6	-104.8	-4.7	0	0	0	114.6
243	N	32.2	Very low	37.9	Very low	156 Å²	156	131.4 Å²	131.4	83%	0.834	76%	0.759	S	S	*	*			trans	-151.3	35.2	177.6	-101.1	-19.5	0	0	0	116.2
244	I	33.6	Very low	37	Very low	137 Å²	137	134.8 Å²	134.8	70%	0.703	77%	0.771	S	S	*	*			trans	-109.9	102.5	159.2	-58	179.6	0	0	0	107.7	F246	I244-F246 WeakPolarHBondContact O-CD2 3.06Å; I244-F246 PolarHBondContact O-N 2.83Å
245	S	29.3	Very low	35.7	Very low	116 Å²	116	138 Å²	138	81%	0.811	79%	0.787	S	S	*	*			trans	-50.2	102.3	170.4	169.1	0	0	0	0	110.5	A247	S245-A247 PolarHBondContact O-N 2.86Å
246	F	29.4	Very low	35	Very low	189 Å²	189	140.4 Å²	140.4	83%	0.829	79%	0.789	S	S	*	*			trans	-82.3	107.4	161.7	-80.3	-83.7	0	0	0	108.8	I244	I244-F246 WeakPolarHBondContact O-CD2 3.06Å; I244-F246 PolarHBondContact O-N 2.83Å
247	A	32.5	Very low	34.3	Very low	73 Å²	73	140.8 Å²	140.8	60%	0.603	79%	0.791	S	S	*	*			trans	-57.4	148.1	160.8	0	0	0	0	0	109.3	S245 E249	S245-A247 PolarHBondContact O-N 2.86Å; A247-E249 PolarHBondContact O-N 2.91Å
248	P	31.4	Very low	34.4	Very low	134 Å²	134	139.1 Å²	139.1	87%	0.87	78%	0.783	S	S	*	*			trans	-77.5	92.4	-179.1	32.1	-30.6	0	0	0	108.8
249	E	33.1	Very low	34.6	Very low	182 Å²	182	136.2 Å²	136.2	85%	0.85	77%	0.773	S	S	*	*			trans	-97.5	102.1	170.2	-159.7	164.7	-177.1	0	0	109.6	A247	A247-E249 PolarHBondContact O-N 2.91Å
250	V	35	Very low	35.3	Very low	131 Å²	131	131 Å²	131	79%	0.794	76%	0.755	S	S	*	*			trans	19.4	116.2	157.4	-170.5	0	0	0	0	117.5	A252	V250-A252 PolarHBondContact O-N 3.4Å
251	A	31.3	Very low	36.3	Very low	102 Å²	102	128.5 Å²	128.5	84%	0.843	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-51	121.1	172	0	0	0	0	0	113.7
252	A	35	Very low	37.4	Very low	87 Å²	87	126.7 Å²	126.7	72%	0.719	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-101.6	136.9	153.3	0	0	0	0	0	108.5	V250 Q254	V250-A252 PolarHBondContact O-N 3.4Å; A252-Q254 PolarHBondContact O-N 2.72Å
253	P	34	Very low	39.2	Very low	129 Å²	129	122 Å²	122	84%	0.838	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-76.1	128.7	-168.3	30.5	-33.2	0	0	0	111.2
254	Q	35.2	Very low	40.8	Very low	177 Å²	177	121 Å²	121	83%	0.827	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-71.5	141.4	169	-68.8	-139.6	-39.7	0	0	110.8	A252 Q256	A252-Q254 PolarHBondContact O-N 2.72Å; Q254-Q256 PolarHBondContact O-N 3.19Å
255	P	33.6	Very low	42.6	Very low	119 Å²	119	119.2 Å²	119.2	77%	0.773	71%	0.705	S	S	*	*			trans	-72.2	112.6	172.2	29.1	-28.9	0	0	0	108.8	I257	P255-I257 PolarHBondContact O-N 2.95Å
256	Q	34.2	Very low	43.5	Very low	161 Å²	161	116.1 Å²	116.1	75%	0.752	69%	0.692	S	S	*	*			trans	-64	117.1	170.4	-72.5	-171.2	-34.5	0	0	109.4	Q254 N258	Q254-Q256 PolarHBondContact O-N 3.19Å; Q256-N258 PolarHBondContact O-N 2.99Å
257	I	36.3	Very low	44.5	Very low	175 Å²	175	114.4 Å²	114.4	90%	0.897	68%	0.684	S	S	*	*			trans	-74.2	86.7	165.6	-43.6	175.3	0	0	0	105.8	P255 G259	P255-I257 PolarHBondContact O-N 2.95Å; I257-G259 PolarHBondContact O-N 3.43Å
258	N	42.4	Very low	45	Very low	100 Å²	100	115.8 Å²	115.8	54%	0.535	68%	0.681	S	S	.	*	P	Polyproline II helix	trans	-71.6	120.8	177.9	-76	-32.6	0	0	0	109.5	Q256 Y271	Q256-N258 PolarHBondContact O-N 2.99Å; N258-Y271 PolarHBondContact O-OH 3.19Å
259	G	41.5	Very low	45.8	Very low	48 Å²	48	114.4 Å²	114.4	50%	0.495	66%	0.664	S	S	.	*	P	Polyproline II helix	trans	-59.8	170.5	168.1	0	0	0	0	0	112.1	I257 V261 Y271	I257-G259 PolarHBondContact O-N 3.43Å; G259-V261 PolarHBondContact O-N 2.99Å; G259-Y271 PolarHBondContact O-OH 3.14Å
260	P	52.3	Low	46.2	Very low	75 Å²	75	111.7 Å²	111.7	49%	0.487	66%	0.662	S	S	.	*	P	Polyproline II helix	trans	-59.5	128.1	-178.7	23.3	-32	0	0	0	111.3	Y262 L268	P260-Y262 HydrophobicContact CB-CE2 4.07Å; P260-Y262 HydrophobicContact CG-CE2 4.01Å; P260-Y262 WeakPolarHBondContact O-CD2 3.45Å; P260-L268 HydrophobicContact CB-CD1 4.26Å; P260-L268 HydrophobicContact CB-CD2 4.16Å; P260-L268 HydrophobicContact CB-CG 4.16Å
261	V	56.5	Low	46.6	Very low	89 Å²	89	112.5 Å²	112.5	54%	0.539	65%	0.652	S	S	.	*	P	Polyproline II helix	trans	-90.6	123.4	175.5	-178.5	0	0	0	0	108.5	G259 M269	G259-V261 PolarHBondContact O-N 2.99Å; V261-M269 PolarHBondContact O-N 2.73Å
262	Y	60.4	Low	47.2	Very low	129 Å²	129	113.1 Å²	113.1	51%	0.506	65%	0.647	S	S	.	*	B	Isolated β-bridge	trans	-101.4	144.3	175.5	-62.9	-93.8	0	0	0	109.7	P260 F267 L268	P260-Y262 HydrophobicContact CB-CE2 4.07Å; P260-Y262 HydrophobicContact CG-CE2 4.01Å; P260-Y262 WeakPolarHBondContact O-CD2 3.45Å; Y262-F267 WeakPolarHBondContact CA-O 3.3Å; Y262-L268 HydrophobicContact CD1-CB 4.11Å; Y262-L268 HydrophobicContact CD1-CG 4.25Å; Y262-L268 HydrophobicContact CE1-CB 3.86Å; Y262-L268 HydrophobicContact CE1-CD1 3.6Å; Y262-L268 HydrophobicContact CE1-CG 3.74Å; Y262-L268 WeakPolarHBondContact OH-CD1 3.3Å
263	D	74	Confident	47.1	Very low	53 Å²	53	116 Å²	116	28%	0.283	65%	0.65	S	S	.	*			trans	-74.9	174.5	174.3	71.2	17.9	0	0	0	112.6	T265 G266 F267 M269	D263-T265 VanDerWaalsContact CG-OG1 3.24Å; D263-T265 PolarHBondContact O-N 2.74Å; D263-T265 VanDerWaalsContact OD1-C 3.27Å; D263-T265 VanDerWaalsContact OD1-CA 3.25Å; D263-T265 WeakPolarHBondContact OD1-CA 3.2Å; D263-T265 WeakPolarHBondContact OD1-CB 3.16Å; D263-T265 PolarHBondContact OD1-N 2.76Å; D263-T265 PolarHBondContact OD1-OG1 2.99Å; D263-T265 PolarHBondContact OD2-OG1 3.32Å; D263-G266 PolarHBondContact O-N 3.14Å; D263-G266 PolarHBondContact OD1-N 2.81Å; D263-F267 PolarHBondContact N-O 2.75Å; D263-F267 PolarHBondContact OD1-N 3.08Å; D263-M269 HydrophobicContact CB-CE 3.52Å
264	S	65.5	Low	47.4	Very low	134 Å²	134	118.9 Å²	118.9	94%	0.937	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-2.3	178	56.8	0	0	0	0	114.4
265	T	71.8	Confident	47.2	Very low	101 Å²	101	119.9 Å²	119.9	62%	0.62	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	0.7	174.1	66.2	0	0	0	0	113.3	D263	D263-T265 VanDerWaalsContact CG-OG1 3.24Å; D263-T265 PolarHBondContact O-N 2.74Å; D263-T265 VanDerWaalsContact OD1-C 3.27Å; D263-T265 VanDerWaalsContact OD1-CA 3.25Å; D263-T265 WeakPolarHBondContact OD1-CA 3.2Å; D263-T265 WeakPolarHBondContact OD1-CB 3.16Å; D263-T265 PolarHBondContact OD1-N 2.76Å; D263-T265 PolarHBondContact OD1-OG1 2.99Å; D263-T265 PolarHBondContact OD2-OG1 3.32Å
266	G	47.7	Very low	47.2	Very low	51 Å²	51	119.1 Å²	119.1	53%	0.526	65%	0.652	S	S	.	*	S	Bend	trans	84.7	13	176.8	0	0	0	0	0	115.1	D263	D263-G266 PolarHBondContact O-N 3.14Å; D263-G266 PolarHBondContact OD1-N 2.81Å
267	F	50.5	Low	47.1	Very low	152 Å²	152	115.5 Å²	115.5	67%	0.667	65%	0.645	S	S	*	*	P	Polyproline II helix	trans	-93.9	141.6	175.5	-80.8	-82.8	0	0	0	112.3	Y262 D263 M269	Y262-F267 WeakPolarHBondContact CA-O 3.3Å; D263-F267 PolarHBondContact N-O 2.75Å; D263-F267 PolarHBondContact OD1-N 3.08Å; F267-M269 PolarHBondContact O-N 3.13Å
268	L	44.2	Very low	46.9	Very low	102 Å²	102	113.9 Å²	113.9	53%	0.534	64%	0.638	S	S	.	*	B	Isolated β-bridge	trans	-77	117.5	-176	-147.2	150.7	0	0	0	109.3	P260 Y262	P260-L268 HydrophobicContact CB-CD1 4.26Å; P260-L268 HydrophobicContact CB-CD2 4.16Å; P260-L268 HydrophobicContact CB-CG 4.16Å; Y262-L268 HydrophobicContact CD1-CB 4.11Å; Y262-L268 HydrophobicContact CD1-CG 4.25Å; Y262-L268 HydrophobicContact CE1-CB 3.86Å; Y262-L268 HydrophobicContact CE1-CD1 3.6Å; Y262-L268 HydrophobicContact CE1-CG 3.74Å; Y262-L268 WeakPolarHBondContact OH-CD1 3.3Å
269	M	46.8	Very low	46.8	Very low	105 Å²	105	115.1 Å²	115.1	52%	0.517	65%	0.649	S	S	.	*	P	Polyproline II helix	trans	-76.1	135.9	-178	-71.7	-158.1	-176	0	0	111.5	V261 D263 F267 Y271	V261-M269 PolarHBondContact O-N 2.73Å; D263-M269 HydrophobicContact CB-CE 3.52Å; F267-M269 PolarHBondContact O-N 3.13Å; M269-Y271 PolarHBondContact O-N 3.44Å
270	P	42.5	Very low	46.3	Very low	125 Å²	125	118.5 Å²	118.5	81%	0.812	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-72.8	125.3	176.6	27.1	-30.4	0	0	0	111.2
271	Y	42.6	Very low	45.4	Very low	148 Å²	148	126 Å²	126	58%	0.58	68%	0.684	S	S	*	*	P	Polyproline II helix	trans	-65.7	132.8	175	-87	-83.6	0	0	0	111.5	N258 G259 M269	N258-Y271 PolarHBondContact O-OH 3.19Å; G259-Y271 PolarHBondContact O-OH 3.14Å; M269-Y271 PolarHBondContact O-N 3.44Å
272	P	43.6	Very low	44.5	Very low	115 Å²	115	129.5 Å²	129.5	75%	0.747	70%	0.7	S	S	*	*	P	Polyproline II helix	trans	-83.9	119.3	170.3	30.5	-27.9	0	0	0	110.7
273	N	34.6	Very low	43.3	Very low	147 Å²	147	126.3 Å²	126.3	79%	0.786	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-64.4	129.3	169.6	-84.8	-26.6	0	0	0	111.1
274	H	39.3	Very low	41.5	Very low	190 Å²	190	135.2 Å²	135.2	88%	0.88	74%	0.737	S	S	*	*			trans	-143.2	118.1	151.6	-92.6	-71.1	0	0	0	112.5
275	F	30.5	Very low	40	Very low	198 Å²	198	134.5 Å²	134.5	87%	0.868	73%	0.732	S	S	*	*			trans	-63.1	149.5	161.9	-91.7	-105	0	0	0	112.5
276	S	34.8	Very low	38.2	Very low	103 Å²	103	134 Å²	134	72%	0.72	74%	0.738	S	S	*	*				171.9	113.9	118.5	-126.7	0	0	0	0	109
277	S	30.7	Very low	38.2	Very low	86 Å²	86	142 Å²	142	60%	0.601	78%	0.776	S	S	*	*				72.9	123.1	89.2	82	0	0	0	0	115.3
278	D	33.3	Very low	37.6	Very low	140 Å²	140	141.5 Å²	141.5	75%	0.749	78%	0.782	S	S	*	*			trans	116.9	131.3	144	-59.1	-47.1	0	0	0	120.7
279	T	39.4	Very low	37.2	Very low	127 Å²	127	143.6 Å²	143.6	78%	0.779	80%	0.795	S	S	*	*			trans	87	94.5	164.2	67.6	0	0	0	0	117
280	C	31.1	Very low	36.7	Very low	118 Å²	118	145.7 Å²	145.7	80%	0.797	81%	0.81	S	S	*	*				65	101.5	70.6	-62.2	0	0	0	0	114.7
281	Y	33.2	Very low	36.4	Very low	232 Å²	232	146.9 Å²	146.9	91%	0.91	81%	0.81	S	S	*	*				-169.7	139.3	104.9	-124.4	-96.8	0	0	0	113.2
282	N	38.1	Very low	36	Very low	163 Å²	163	146.9 Å²	146.9	87%	0.872	83%	0.825	S	S	*	*			trans	-85.4	162.7	-171.8	-86.3	-34	0	0	0	114.8
283	G	36.1	Very low	35.5	Very low	62 Å²	62	149 Å²	149	64%	0.639	83%	0.83	S	S	*	*			trans	125.9	115.1	144.4	0	0	0	0	0	111.9
284	Y	35	Very low	35.5	Very low	241 Å²	241	149.1 Å²	149.1	95%	0.945	83%	0.833	S	S	*	*			cis	-156.9	143.9	42.5	-90.2	-98.1	0	0	0	111.5
285	S	34.2	Very low	35.2	Very low	119 Å²	119	146 Å²	146	83%	0.832	83%	0.829	S	S	*	*			trans	-122.7	145.8	156.7	-173.2	0	0	0	0	109.2
286	A	33.3	Very low	35.6	Very low	89 Å²	89	141.7 Å²	141.7	74%	0.736	83%	0.826	S	S	*	*			trans	-25.9	137.2	-178.4	0	0	0	0	0	119.5
287	V	48.5	Very low	35.7	Very low	220 Å²	220	145.2 Å²	145.2	100%	1.333	84%	0.836	S	S	*	*				-128.5	0	128.6	-178.3	0	0	0	0	106.9

Retrieved 287 of 287 residues in 762.2 ms (Link to these results)

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