A0A087XWE2_POEFO Loading...

GATOR complex protein NPRL3

As a component of the GATOR1 complex functions as an inhibitor of the amino acid-sensing branch of the TORC1 pathway.

AlphaFold DB , UniProt , Accession A0A087XWE2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 596 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.9	Very low	30.6	Very low	237 Å²	237	141 Å²	141	100%	1.167	82%	0.822	S	S	*	*				0	137.9	0	-127.3	176.9	-163	0	0	107.5
2	M	29.2	Very low	30.6	Very low	180 Å²	180	138.2 Å²	138.2	89%	0.887	80%	0.801	S	S	*	*			trans	81.9	94	171.8	-55.5	-136.6	169.8	0	0	117.4
3	L	28.8	Very low	30.6	Very low	183 Å²	183	142.9 Å²	142.9	96%	0.958	80%	0.797	S	S	*	*			trans	-60.4	140	151.6	-72.1	139.2	0	0	0	110.8
4	S	28.8	Very low	30.5	Very low	107 Å²	107	141.4 Å²	141.4	75%	0.748	79%	0.787	S	S	*	*			trans	-147.1	125.2	152.6	44	0	0	0	0	108.2
5	P	31.2	Very low	30.5	Very low	131 Å²	131	136 Å²	136	85%	0.851	76%	0.763	S	S	*	*			trans	-87.8	135.5	-169.5	34.1	-31.7	0	0	0	111.4
6	S	28.8	Very low	30.3	Very low	119 Å²	119	134.4 Å²	134.4	83%	0.832	75%	0.751	S	S	*	*			trans	-85.1	129.2	173.2	-55.7	0	0	0	0	110.5	E8	S6-E8 PolarHBondContact O-N 3.45Å
7	A	31.6	Very low	30.2	Very low	106 Å²	106	137 Å²	137	88%	0.876	75%	0.748	S	S	*	*			trans	-17.3	112.4	167.7	0	0	0	0	0	117.2
8	E	27.2	Very low	30	Very low	183 Å²	183	133.2 Å²	133.2	86%	0.855	73%	0.733	S	S	*	*			trans	-93.4	135.3	156.8	-81.3	176.7	163.5	0	0	109.9	S6	S6-E8 PolarHBondContact O-N 3.45Å
9	S	31	Very low	29.8	Very low	66 Å²	66	132.8 Å²	132.8	46%	0.462	73%	0.726	S	S	.	*			trans	-57.2	150.2	-178.7	33.3	0	0	0	0	114.4	D11	S9-D11 PolarHBondContact O-N 3.14Å
10	P	32.7	Very low	29.5	Very low	109 Å²	109	129.8 Å²	129.8	71%	0.708	72%	0.715	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-6.3	-177.2	29.1	-33.1	0	0	0	114.8
11	D	32.2	Very low	29.3	Very low	130 Å²	130	130.5 Å²	130.5	70%	0.695	71%	0.713	S	S	*	*	H	α-helix	trans	-79.5	-28.1	-176.9	-78.7	-31.7	0	0	0	114.2	S9	S9-D11 PolarHBondContact O-N 3.14Å
12	D	31.1	Very low	28.8	Very low	107 Å²	107	124.6 Å²	124.6	57%	0.572	69%	0.686	S	S	*	*	H	α-helix	trans	-79.4	-23.3	-177.3	-76.4	-42.1	0	0	0	113.6	S15	D12-S15 PolarHBondContact O-N 3.34Å
13	R	30.5	Very low	28.5	Very low	200 Å²	200	121.5 Å²	121.5	76%	0.755	67%	0.673	S	S	*	*	H	α-helix	trans	-73	-28.3	176.2	-76.5	-175	173.7	-176	-1.2	113.1	Y17	R13-Y17 PolarHBondContact O-N 3.19Å
14	N	28.9	Very low	28.3	Very low	122 Å²	122	123.4 Å²	123.4	65%	0.652	67%	0.667	S	S	*	*	H	α-helix	trans	-74.4	-26.6	175.3	-92.7	-14.1	0	0	0	112.8	S18	N14-S18 WeakPolarHBondContact O-CB 3.3Å; N14-S18 PolarHBondContact O-N 3.13Å; N14-S18 VanDerWaalsContact O-N 3.09Å
15	S	30.2	Very low	28.3	Very low	60 Å²	60	126.2 Å²	126.2	42%	0.42	67%	0.668	S	S	.	*	H	α-helix	trans	-70.9	-39.9	176.4	-169	0	0	0	0	112.2	D12 S18 Q19	D12-S15 PolarHBondContact O-N 3.34Å; S15-S18 PolarHBondContact O-N 3.2Å; S15-Q19 WeakPolarHBondContact O-CB 3.48Å; S15-Q19 PolarHBondContact O-N 2.84Å
16	L	27.4	Very low	28.1	Very low	111 Å²	111	127.5 Å²	127.5	58%	0.581	66%	0.66	S	S	*	*	H	α-helix	trans	-68.1	-34.3	177.6	-88.1	148.4	0	0	0	113.4	S20	L16-S20 WeakPolarHBondContact O-CB 3.27Å; L16-S20 PolarHBondContact O-N 2.75Å; L16-S20 VanDerWaalsContact O-N 3.12Å; L16-S20 PolarHBondContact O-OG 3.26Å
17	Y	28.7	Very low	27.8	Very low	178 Å²	178	126.4 Å²	126.4	70%	0.698	65%	0.653	S	S	*	*	H	α-helix	trans	-75.2	-32.6	173	-90.7	-85.7	0	0	0	112.8	R13 Q21	R13-Y17 PolarHBondContact O-N 3.19Å; Y17-Q21 PolarHBondContact O-N 2.85Å
18	S	26.6	Very low	28.1	Very low	69 Å²	69	123.4 Å²	123.4	48%	0.483	63%	0.632	S	S	.	*	H	α-helix	trans	-67.7	-43.7	172.6	176.7	0	0	0	0	112.3	N14 S15 S20 Q21 N22	N14-S18 WeakPolarHBondContact O-CB 3.3Å; N14-S18 PolarHBondContact O-N 3.13Å; N14-S18 VanDerWaalsContact O-N 3.09Å; S15-S18 PolarHBondContact O-N 3.2Å; S18-S20 PolarHBondContact O-N 3.02Å; S18-Q21 PolarHBondContact O-N 3.35Å; S18-N22 PolarHBondContact O-N 3.47Å; S18-N22 VanDerWaalsContact O-N 3.12Å
19	Q	25.7	Very low	29	Very low	126 Å²	126	116.8 Å²	116.8	59%	0.589	60%	0.602	S	S	*	*	H	α-helix	trans	-67.4	-34.1	176.5	-85.7	-176.9	-13.3	0	0	112.8	S15 N22 N23	S15-Q19 WeakPolarHBondContact O-CB 3.48Å; S15-Q19 PolarHBondContact O-N 2.84Å; Q19-N22 PolarHBondContact O-N 2.77Å; Q19-N23 PolarHBondContact O-N 3.13Å
20	S	24.6	Very low	29.9	Very low	72 Å²	72	119.9 Å²	119.9	50%	0.503	61%	0.608	S	S	.	*	H	α-helix	trans	-72.6	-28.1	177.9	-59.7	0	0	0	0	113.1	L16 S18	L16-S20 WeakPolarHBondContact O-CB 3.27Å; L16-S20 PolarHBondContact O-N 2.75Å; L16-S20 VanDerWaalsContact O-N 3.12Å; L16-S20 PolarHBondContact O-OG 3.26Å; S18-S20 PolarHBondContact O-N 3.02Å
21	Q	25.4	Very low	30.7	Very low	145 Å²	145	114.8 Å²	114.8	68%	0.678	58%	0.575	S	S	*	*	H	α-helix	trans	-75.7	-35.6	170.3	-75.9	-171.4	-4.4	0	0	112.3	Y17 S18 N23 R24	Y17-Q21 PolarHBondContact O-N 2.85Å; S18-Q21 PolarHBondContact O-N 3.35Å; Q21-N23 VanDerWaalsContact C-N 3.33Å; Q21-N23 PolarHBondContact O-N 2.94Å; Q21-R24 PolarHBondContact O-N 2.86Å
22	N	24.7	Very low	31.7	Very low	113 Å²	113	109.9 Å²	109.9	60%	0.604	55%	0.551	S	S	*	*	H	α-helix	trans	-71.4	-24.7	175.9	-106.4	-8	0	0	0	113.9	S18 Q19	S18-N22 PolarHBondContact O-N 3.47Å; S18-N22 VanDerWaalsContact O-N 3.12Å; Q19-N22 PolarHBondContact O-N 2.77Å
23	N	23.4	Very low	33.1	Very low	114 Å²	114	104.9 Å²	104.9	61%	0.61	52%	0.524	S	S	*	.	H	α-helix	trans	-85.2	-12.8	176	-101.3	-4.1	0	0	0	114.5	Q19 Q21 H25	Q19-N23 PolarHBondContact O-N 3.13Å; Q21-N23 VanDerWaalsContact C-N 3.33Å; Q21-N23 PolarHBondContact O-N 2.94Å; N23-H25 VanDerWaalsContact C-N 3.33Å
24	R	24.3	Very low	34.5	Very low	224 Å²	224	96.5 Å²	96.5	85%	0.845	49%	0.494	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.9	-8.7	169.7	-88.6	-174.6	167.7	-173.4	-3.2	114	Q21	Q21-R24 PolarHBondContact O-N 2.86Å
25	H	28	Very low	35.9	Very low	165 Å²	165	90.7 Å²	90.7	76%	0.764	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	10.6	171.2	-74.9	-20.4	0	0	0	114	N23	N23-H25 VanDerWaalsContact C-N 3.33Å
26	K	26.4	Very low	37.8	Very low	158 Å²	158	87.8 Å²	87.8	69%	0.687	44%	0.443	S	S	*	.			trans	-117.1	30.3	-178.6	-82	-177.7	176.1	176.4	0	114.1
27	S	24.2	Very low	39.8	Very low	97 Å²	97	82.6 Å²	82.6	68%	0.678	42%	0.415	S	S	*	.	S	Bend	trans	-87.9	118.8	153.3	176.7	0	0	0	0	106.7	D29	S27-D29 PolarHBondContact O-N 3.31Å
28	G	37.6	Very low	41.8	Very low	42 Å²	42	74.1 Å²	74.1	43%	0.433	38%	0.382	S	S	.	.			trans	-59.4	100.1	-178.4	0	0	0	0	0	110.7	K30	G28-K30 PolarHBondContact O-N 3.11Å; G28-K30 VanDerWaalsContact O-N 3.09Å
29	D	45.3	Very low	43.8	Very low	44 Å²	44	70.9 Å²	70.9	24%	0.235	36%	0.359	C	S	.	.			trans	-49.5	117.9	175.6	-86.8	-20	0	0	0	108.4	S27 T31 S32 R264	S27-D29 PolarHBondContact O-N 3.31Å; D29-T31 PolarHBondContact O-N 3.08Å; D29-S32 PolarHBondContact O-N 3.47Å; D29-R264 IonicContact OD1-CZ 3.99Å; D29-R264 IonicContact OD1-NH1 3.8Å; D29-R264 PolarHBondContact OD1-NH1 3.08Å; D29-R264 IonicContact OD1-NH2 3.75Å; D29-R264 PolarHBondContact OD1-NH2 3.38Å; D29-R264 IonicContact OD2-CZ 3.84Å; D29-R264 IonicContact OD2-NH1 3.57Å; D29-R264 PolarHBondContact OD2-NH1 2.89Å; D29-R264 IonicContact OD2-NH2 2.79Å
30	K	49.3	Very low	45.9	Very low	132 Å²	132	65.3 Å²	65.3	57%	0.574	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-8.2	177.1	-63.6	177	-178.4	175	0	113.2	G28	G28-K30 PolarHBondContact O-N 3.11Å; G28-K30 VanDerWaalsContact O-N 3.09Å
31	T	49.8	Very low	47.9	Very low	2 Å²	2	62.9 Å²	62.9	1%	0.012	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.4	-3.3	-175.1	54.5	0	0	0	0	115.2	D29 V165 Y269	D29-T31 PolarHBondContact O-N 3.08Å; T31-V165 HydrophobicContact CG2-CG2 4Å; T31-Y269 HydrophobicContact CG2-CD1 4.15Å; T31-Y269 HydrophobicContact CG2-CE1 3.3Å; T31-Y269 HydrophobicContact CG2-CE2 4.48Å; T31-Y269 VanDerWaalsContact CG2-CZ 3.49Å; T31-Y269 WeakPolarHBondContact CG2-OH 3.38Å; T31-Y269 PolarHBondContact OG1-OH 2.8Å
32	S	53.7	Low	49.8	Very low	27 Å²	27	56.8 Å²	56.8	19%	0.189	29%	0.293	C	S	.	.	S	Bend	trans	-94.4	131.7	174.5	-60.4	0	0	0	0	109.1	D29 K261	D29-S32 PolarHBondContact O-N 3.47Å; S32-K261 PolarHBondContact OG-NZ 3.42Å
33	P	60.1	Low	51.2	Low	1 Å²	1	56 Å²	56	1%	0.006	30%	0.296	C	S	.	.			trans	-65.1	148.6	173.4	31.9	-37.1	0	0	0	109.5	A156 L157 Y235 L238	P33-A156 CarbonylContact C-O 3.58Å; P33-A156 VanDerWaalsContact CA-O 3.3Å; P33-A156 WeakPolarHBondContact CA-O 3.37Å; P33-A156 VanDerWaalsContact CB-O 3.3Å; P33-A156 WeakPolarHBondContact CB-O 3.41Å; P33-L157 HydrophobicContact CB-CG 4.32Å; P33-Y235 HydrophobicContact CB-CE2 4.33Å; P33-Y235 HydrophobicContact CG-CD2 3.86Å; P33-Y235 HydrophobicContact CG-CE2 3.77Å; P33-Y235 WeakPolarHBondContact O-CE2 3.38Å; P33-Y235 PolarHBondContact O-OH 3.3Å; P33-L238 HydrophobicContact CB-CD2 4.37Å; P33-L238 HydrophobicContact CG-CD2 3.19Å
34	I	60.5	Low	52.7	Low	24 Å²	24	58.8 Å²	58.8	12%	0.123	30%	0.298	C	S	.	.	S	Bend	trans	-75.5	-44.5	175.3	-52.7	176.1	0	0	0	108.7	P53 V117 A156 R158 Y235	I34-P53 WeakPolarHBondContact O-CD 3.46Å; I34-P53 WeakPolarHBondContact O-CG 3.35Å; I34-V117 HydrophobicContact CD1-CG1 4.3Å; I34-V117 HydrophobicContact CD1-CG2 3.98Å; I34-A156 PolarHBondContact N-O 2.83Å; I34-R158 HydrophobicContact CD1-CB 4.34Å; I34-R158 HydrophobicContact CD1-CG 3.46Å; I34-R158 VanDerWaalsContact CD1-CG 3.46Å; I34-R158 HydrophobicContact CG1-CG 3.8Å; I34-Y235 PolarHBondContact O-OH 2.89Å
35	S	58.8	Low	54.4	Low	0 Å²	0	50 Å²	50	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	161	179.4	59.4	0	0	0	0	114.5	Y52 F155 A156	S35-Y52 CarbonylContact C-O 3.47Å; S35-Y52 WeakPolarHBondContact CA-O 3.24Å; S35-Y52 VanDerWaalsContact CB-O 3.3Å; S35-Y52 WeakPolarHBondContact CB-O 3.09Å; S35-F155 CarbonylContact O-C 3.58Å; S35-F155 WeakPolarHBondContact O-CA 3.45Å; S35-A156 PolarHBondContact N-O 3.15Å; S35-A156 PolarHBondContact O-N 3.25Å; S35-A156 VanDerWaalsContact OG-CB 3.25Å; S35-A156 WeakPolarHBondContact OG-CB 3.11Å
36	V	68.8	Low	56	Low	0 Å²	0	45.1 Å²	45.1	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	125.7	169.6	-170	0	0	0	0	107	R51 Y52 V153 V154 F155 L231 Y235	V36-R51 CarbonylContact O-C 3.57Å; V36-R51 VanDerWaalsContact O-CA 3.27Å; V36-R51 WeakPolarHBondContact O-CA 3.4Å; V36-Y52 PolarHBondContact N-O 3.44Å; V36-Y52 PolarHBondContact O-N 3.5Å; V36-V153 HydrophobicContact CG1-CG1 4.5Å; V36-V154 CarbonylContact C-O 3.51Å; V36-V154 WeakPolarHBondContact CA-O 3.33Å; V36-F155 HydrophobicContact CB-CD1 4.32Å; V36-F155 HydrophobicContact CB-CE1 4.23Å; V36-F155 HydrophobicContact CG1-CD1 4.2Å; V36-F155 HydrophobicContact CG1-CE1 3.84Å; V36-F155 HydrophobicContact CG1-CZ 4.18Å; V36-F155 HydrophobicContact CG2-CD1 3.63Å; V36-F155 HydrophobicContact CG2-CE1 3.47Å; V36-F155 VanDerWaalsContact CG2-CE1 3.47Å; V36-L231 HydrophobicContact CG1-CD2 4.26Å; V36-Y235 HydrophobicContact CG2-CD2 3.65Å; V36-Y235 HydrophobicContact CG2-CG 4.22Å
37	I	70	Confident	57.7	Low	1 Å²	1	40.4 Å²	40.4	1%	0.005	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.1	-177.2	-52.6	174	0	0	0	108.1	V39 L48 F50 R51 L99 F119 V154	I37-V39 HydrophobicContact CG2-CG2 3.71Å; I37-L48 HydrophobicContact CG2-CD1 3.61Å; I37-L48 HydrophobicContact CG2-CG 3.9Å; I37-F50 CarbonylContact C-O 3.32Å; I37-F50 VanDerWaalsContact CA-O 3.28Å; I37-F50 WeakPolarHBondContact CA-O 3.45Å; I37-R51 HydrophobicContact CG1-CB 4.43Å; I37-R51 HydrophobicContact CG1-CG 4.15Å; I37-L99 HydrophobicContact CB-CD1 4.31Å; I37-L99 HydrophobicContact CD1-CD1 3.92Å; I37-L99 HydrophobicContact CG2-CD1 3.93Å; I37-F119 HydrophobicContact CD1-CD1 4.24Å; I37-F119 HydrophobicContact CD1-CE1 3.77Å; I37-V154 HydrophobicContact CB-CB 4.42Å; I37-V154 PolarHBondContact N-O 3.36Å; I37-V154 PolarHBondContact O-N 2.8Å
38	L	70.3	Confident	59.5	Low	0 Å²	0	36.2 Å²	36.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	118.6	169.7	-176.6	67.8	0	0	0	108.3	L49 F50 V153 L227 L231	L38-L49 HydrophobicContact CB-CB 4.41Å; L38-L49 HydrophobicContact CD2-CB 4.03Å; L38-L49 HydrophobicContact CD2-CD1 4.01Å; L38-L49 HydrophobicContact CG-CB 4.16Å; L38-L49 HydrophobicContact CG-CD1 4.25Å; L38-L49 PolarHBondContact O-N 3.38Å; L38-F50 HydrophobicContact CB-CB 3.87Å; L38-F50 PolarHBondContact N-O 2.86Å; L38-F50 PolarHBondContact O-N 3.38Å; L38-V153 HydrophobicContact CD1-CG2 3.73Å; L38-L227 HydrophobicContact CD2-CD2 3.87Å; L38-L231 HydrophobicContact CB-CD1 4.42Å; L38-L231 HydrophobicContact CD2-CD1 4.49Å
39	V	69.1	Low	60.5	Low	1 Å²	1	34.3 Å²	34.3	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.5	175.9	-176.6	0	0	0	0	109.3	I37 L48 L99 A100 F151 N152	I37-V39 HydrophobicContact CG2-CG2 3.71Å; V39-L48 HydrophobicContact CG2-CG 4.48Å; V39-L99 HydrophobicContact CB-CB 4.41Å; V39-L99 HydrophobicContact CG2-CB 3.8Å; V39-L99 HydrophobicContact CG2-CD1 3.97Å; V39-A100 HydrophobicContact CG1-CB 4.34Å; V39-F151 CarbonylContact O-C 3.58Å; V39-F151 WeakPolarHBondContact O-CA 3.29Å; V39-N152 PolarHBondContact N-O 3.02Å; V39-N152 PolarHBondContact O-N 3.09Å
40	S	70.6	Confident	61	Low	10 Å²	10	32.2 Å²	32.2	7%	0.07	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.6	171.3	61.6	0	0	0	0	110.4	K47 L49 M148	S40-K47 PolarHBondContact N-O 2.93Å; S40-K47 PolarHBondContact O-N 3.05Å; S40-K47 VanDerWaalsContact O-O 3.12Å; S40-K47 PolarHBondContact OG-O 3.48Å; S40-L49 WeakPolarHBondContact OG-CD2 3.25Å; S40-L49 WeakPolarHBondContact OG-CG 3.47Å; S40-M148 WeakPolarHBondContact CB-SD 3.45Å
41	S	66.6	Low	61.2	Low	21 Å²	21	27.5 Å²	27.5	15%	0.147	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	129.4	168.7	176.9	0	0	0	0	109	N46 I149 L150	S41-N46 WeakPolarHBondContact CB-OD1 3.49Å; S41-N46 PolarHBondContact OG-OD1 2.93Å; S41-I149 PolarHBondContact O-N 2.88Å; S41-L150 PolarHBondContact N-O 2.94Å; S41-L150 PolarHBondContact O-N 3.31Å; S41-L150 VanDerWaalsContact O-O 3.12Å
42	G	64.1	Low	61.2	Low	16 Å²	16	28.6 Å²	28.6	17%	0.165	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	-173.9	-174.6	0	0	0	0	0	112.3	R44 G45 T147	G42-R44 PolarHBondContact O-N 3.3Å; G42-G45 PolarHBondContact N-O 2.93Å; G42-G45 PolarHBondContact O-N 3.33Å; G42-T147 WeakPolarHBondContact CA-O 3.48Å
43	S	54.7	Low	60.6	Low	96 Å²	96	29.2 Å²	29.2	67%	0.671	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-16.6	-177.8	53.6	0	0	0	0	114
44	R	53.8	Low	59.8	Low	173 Å²	173	30.7 Å²	30.7	65%	0.653	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97	10.8	178.1	-60.3	-177.7	69.4	-167.3	0.5	113.8	G42	G42-R44 PolarHBondContact O-N 3.3Å
45	G	60.3	Low	58.8	Low	39 Å²	39	37.8 Å²	37.8	40%	0.402	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	98.5	179.9	-177.9	0	0	0	0	0	114	G42	G42-G45 PolarHBondContact N-O 2.93Å; G42-G45 PolarHBondContact O-N 3.33Å
46	N	62.5	Low	57.3	Low	63 Å²	63	47.4 Å²	47.4	34%	0.337	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	123.8	179.5	-60.6	-28.5	0	0	0	109.8	S41 A96 A100	S41-N46 WeakPolarHBondContact CB-OD1 3.49Å; S41-N46 PolarHBondContact OG-OD1 2.93Å; N46-A96 HydrophobicContact CB-CB 4.43Å; N46-A100 HydrophobicContact CB-CB 3.77Å; N46-A100 WeakPolarHBondContact ND2-CB 3.35Å; N46-A100 WeakPolarHBondContact OD1-CB 3.22Å
47	K	62.7	Low	55.4	Low	60 Å²	60	51.3 Å²	51.3	26%	0.261	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.6	179.5	-68.3	-165.2	173.5	-162.8	0	111.3	S40 L49 L198	S40-K47 PolarHBondContact N-O 2.93Å; S40-K47 PolarHBondContact O-N 3.05Å; S40-K47 VanDerWaalsContact O-O 3.12Å; S40-K47 PolarHBondContact OG-O 3.48Å; K47-L49 PolarHBondContact O-N 3.48Å; K47-L198 HydrophobicContact CD-CD2 3.48Å; K47-L198 VanDerWaalsContact CD-CD2 3.48Å
48	L	62	Low	53.3	Low	9 Å²	9	54.7 Å²	54.7	5%	0.047	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	116	169.4	-170.5	147.9	0	0	0	108	I37 V39 R51 L95 A96 F218	I37-L48 HydrophobicContact CG2-CD1 3.61Å; I37-L48 HydrophobicContact CG2-CG 3.9Å; V39-L48 HydrophobicContact CG2-CG 4.48Å; L48-R51 HydrophobicContact CD2-CB 4.04Å; L48-L95 HydrophobicContact CD1-CB 3.91Å; L48-L95 HydrophobicContact CD1-CD1 4.43Å; L48-A96 HydrophobicContact CB-CB 4.11Å; L48-F218 HydrophobicContact CD2-CE1 4.26Å; L48-F218 HydrophobicContact CD2-CZ 4.09Å
49	L	58.4	Low	51.3	Low	2 Å²	2	62.5 Å²	62.5	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	-35.4	-176.5	-65.9	-178.2	0	0	0	112	L38 S40 K47 M148 A194 M197 L198	L38-L49 HydrophobicContact CB-CB 4.41Å; L38-L49 HydrophobicContact CD2-CB 4.03Å; L38-L49 HydrophobicContact CD2-CD1 4.01Å; L38-L49 HydrophobicContact CG-CB 4.16Å; L38-L49 HydrophobicContact CG-CD1 4.25Å; L38-L49 PolarHBondContact O-N 3.38Å; S40-L49 WeakPolarHBondContact OG-CD2 3.25Å; S40-L49 WeakPolarHBondContact OG-CG 3.47Å; K47-L49 PolarHBondContact O-N 3.48Å; L49-M148 HydrophobicContact CD1-CE 3.82Å; L49-M148 HydrophobicContact CD1-SD 4.16Å; L49-A194 HydrophobicContact CD1-CB 3.99Å; L49-M197 HydrophobicContact CB-SD 4.18Å; L49-L198 HydrophobicContact CD2-CD2 4.05Å; L49-L198 HydrophobicContact CD2-CG 4.11Å
50	F	55.5	Low	49	Very low	0 Å²	0	66 Å²	66	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	144.1	-175.1	-167.9	-109.2	0	0	0	111.6	I37 L38 Y52 F54 M197 F218 I221 L222 A228 L231	I37-F50 CarbonylContact C-O 3.32Å; I37-F50 VanDerWaalsContact CA-O 3.28Å; I37-F50 WeakPolarHBondContact CA-O 3.45Å; L38-F50 HydrophobicContact CB-CB 3.87Å; L38-F50 PolarHBondContact N-O 2.86Å; L38-F50 PolarHBondContact O-N 3.38Å; F50-Y52 HydrophobicContact CE1-CG 4.43Å; F50-F54 HydrophobicContact CE2-CE1 4.03Å; F50-F54 AromaticContact CE2-CZ 3.61Å; F50-F54 HydrophobicContact CE2-CZ 3.61Å; F50-F54 HydrophobicContact CZ-CE1 4.22Å; F50-F54 AromaticContact CZ-CZ 3.68Å; F50-F54 HydrophobicContact CZ-CZ 3.68Å; F50-M197 HydrophobicContact CD2-CE 4.34Å; F50-F218 HydrophobicContact CD2-CD1 4.25Å; F50-I221 HydrophobicContact CD2-CG2 4.4Å; F50-I221 HydrophobicContact CE2-CG2 4.48Å; F50-L222 HydrophobicContact CE2-CD2 4.39Å; F50-L222 HydrophobicContact CZ-CD2 4Å; F50-A228 HydrophobicContact CD2-CB 4Å; F50-A228 HydrophobicContact CE2-CB 3.47Å; F50-A228 VanDerWaalsContact CE2-CB 3.47Å; F50-A228 HydrophobicContact CZ-CB 3.78Å; F50-L231 HydrophobicContact CD1-CB 4.32Å; F50-L231 HydrophobicContact CD1-CD1 3.89Å; F50-L231 HydrophobicContact CE1-CB 3.98Å; F50-L231 HydrophobicContact CE1-CD1 4.36Å
51	R	53.9	Low	46.9	Very low	32 Å²	32	72.3 Å²	72.3	12%	0.121	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	111.4	174	172	175.5	-177.9	-178.5	0.6	111.1	V36 I37 L48 F54 D87	V36-R51 CarbonylContact O-C 3.57Å; V36-R51 VanDerWaalsContact O-CA 3.27Å; V36-R51 WeakPolarHBondContact O-CA 3.4Å; I37-R51 HydrophobicContact CG1-CB 4.43Å; I37-R51 HydrophobicContact CG1-CG 4.15Å; L48-R51 HydrophobicContact CD2-CB 4.04Å; R51-F54 WeakPolarHBondContact O-CD1 3.39Å; R51-F54 WeakPolarHBondContact O-CE1 3.39Å; R51-D87 IonicContact CZ-OD2 3.77Å; R51-D87 IonicContact NE-OD2 3.88Å; R51-D87 PolarHBondContact NH2-O 3.22Å; R51-D87 IonicContact NH2-OD1 2.93Å; R51-D87 IonicContact NH2-OD2 2.67Å; R51-D87 PolarHBondContact NH2-OD2 3.48Å
52	Y	49	Very low	45.1	Very low	25 Å²	25	76 Å²	76	10%	0.098	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.5	179.8	-177.7	-102.6	0	0	0	111	S35 V36 F50 F54 K232 Y235 D236	S35-Y52 CarbonylContact C-O 3.47Å; S35-Y52 WeakPolarHBondContact CA-O 3.24Å; S35-Y52 VanDerWaalsContact CB-O 3.3Å; S35-Y52 WeakPolarHBondContact CB-O 3.09Å; V36-Y52 PolarHBondContact N-O 3.44Å; V36-Y52 PolarHBondContact O-N 3.5Å; F50-Y52 HydrophobicContact CE1-CG 4.43Å; Y52-F54 HydrophobicContact CD2-CD2 4.12Å; Y52-F54 HydrophobicContact CD2-CE1 4.36Å; Y52-F54 AromaticContact CD2-CE2 3.61Å; Y52-F54 HydrophobicContact CD2-CE2 3.61Å; Y52-F54 AromaticContact CD2-CZ 3.74Å; Y52-F54 HydrophobicContact CD2-CZ 3.74Å; Y52-F54 HydrophobicContact CE2-CD2 4.5Å; Y52-F54 HydrophobicContact CE2-CE2 4.13Å; Y52-K232 HydrophobicContact CD1-CB 4.35Å; Y52-K232 HydrophobicContact CD2-CB 4.43Å; Y52-K232 HydrophobicContact CE1-CB 4.13Å; Y52-K232 HydrophobicContact CE1-CG 3.83Å; Y52-K232 HydrophobicContact CE2-CB 4.28Å; Y52-K232 HydrophobicContact CE2-CD 3.82Å; Y52-K232 HydrophobicContact CE2-CG 3.88Å; Y52-K232 HydrophobicContact CG-CB 4.49Å; Y52-K232 VanDerWaalsContact OH-CE 3.25Å; Y52-K232 WeakPolarHBondContact OH-CE 3.31Å; Y52-Y235 AromaticContact CD1-CD1 3.71Å; Y52-Y235 HydrophobicContact CD1-CD1 3.71Å; Y52-Y235 HydrophobicContact CD1-CD2 4.35Å; Y52-Y235 HydrophobicContact CD1-CE1 4.45Å; Y52-Y235 AromaticContact CD1-CG 3.61Å; Y52-Y235 HydrophobicContact CD1-CG 3.61Å; Y52-Y235 AromaticContact CE1-CD1 3.26Å; Y52-Y235 HydrophobicContact CE1-CD1 3.26Å; Y52-Y235 HydrophobicContact CE1-CE1 4.04Å; Y52-Y235 AromaticContact CE1-CG 3.63Å; Y52-Y235 HydrophobicContact CE1-CG 3.63Å; Y52-D236 WeakPolarHBondContact CE1-OD1 3.14Å; Y52-D236 PolarHBondContact OH-OD1 3.24Å; Y52-D236 PolarHBondContact OH-OD2 3.45Å
53	P	40.1	Very low	43.4	Very low	40 Å²	40	80.3 Å²	80.3	26%	0.26	46%	0.458	S	S	.	.	S	Bend	cis	-71.5	142.7	-1	29.8	-30.2	0	0	0	111.4	I34 Q55 Y235	I34-P53 WeakPolarHBondContact O-CD 3.46Å; I34-P53 WeakPolarHBondContact O-CG 3.35Å; P53-Q55 PolarHBondContact O-N 3.42Å; P53-Y235 HydrophobicContact CG-CE1 4.32Å
54	F	44.5	Very low	42.3	Very low	32 Å²	32	84.5 Å²	84.5	14%	0.14	47%	0.472	C	S	.	.			trans	-69.9	125.1	166.4	-39.7	-59.2	0	0	0	105.7	F50 R51 Y52 R56 F218 L222	F50-F54 HydrophobicContact CE2-CE1 4.03Å; F50-F54 AromaticContact CE2-CZ 3.61Å; F50-F54 HydrophobicContact CE2-CZ 3.61Å; F50-F54 HydrophobicContact CZ-CE1 4.22Å; F50-F54 AromaticContact CZ-CZ 3.68Å; F50-F54 HydrophobicContact CZ-CZ 3.68Å; R51-F54 WeakPolarHBondContact O-CD1 3.39Å; R51-F54 WeakPolarHBondContact O-CE1 3.39Å; Y52-F54 HydrophobicContact CD2-CD2 4.12Å; Y52-F54 HydrophobicContact CD2-CE1 4.36Å; Y52-F54 AromaticContact CD2-CE2 3.61Å; Y52-F54 HydrophobicContact CD2-CE2 3.61Å; Y52-F54 AromaticContact CD2-CZ 3.74Å; Y52-F54 HydrophobicContact CD2-CZ 3.74Å; Y52-F54 HydrophobicContact CE2-CD2 4.5Å; Y52-F54 HydrophobicContact CE2-CE2 4.13Å; F54-R56 PolarHBondContact O-N 2.85Å; F54-F218 HydrophobicContact CD1-CB 3.11Å; F54-F218 HydrophobicContact CD1-CD1 4.36Å; F54-F218 AromaticContact CD1-CD2 3.63Å; F54-F218 HydrophobicContact CD1-CD2 3.63Å; F54-F218 AromaticContact CD1-CG 3.48Å; F54-F218 HydrophobicContact CD1-CG 3.48Å; F54-F218 VanDerWaalsContact CD1-CG 3.48Å; F54-F218 HydrophobicContact CD2-CB 4.15Å; F54-F218 HydrophobicContact CE1-CB 2.83Å; F54-F218 AromaticContact CE1-CD1 3.88Å; F54-F218 HydrophobicContact CE1-CD1 3.88Å; F54-F218 HydrophobicContact CE1-CD2 4Å; F54-F218 AromaticContact CE1-CG 3.35Å; F54-F218 HydrophobicContact CE1-CG 3.35Å; F54-F218 HydrophobicContact CE2-CB 3.89Å; F54-F218 HydrophobicContact CG-CB 3.8Å; F54-F218 HydrophobicContact CG-CG 4.48Å; F54-F218 HydrophobicContact CZ-CB 3.25Å; F54-F218 HydrophobicContact CZ-CG 4.21Å; F54-L222 HydrophobicContact CE2-CD1 3.67Å; F54-L222 HydrophobicContact CE2-CD2 4.41Å; F54-L222 HydrophobicContact CE2-CG 3.89Å; F54-L222 HydrophobicContact CZ-CD1 4.44Å; F54-L222 HydrophobicContact CZ-CD2 4.45Å; F54-L222 HydrophobicContact CZ-CG 4.2Å
55	Q	39.4	Very low	41.1	Very low	174 Å²	174	81.8 Å²	81.8	81%	0.813	48%	0.479	S	S	*	.			trans	19.5	99.2	157	-169.2	154.2	21.7	0	0	113	P53 A57	P53-Q55 PolarHBondContact O-N 3.42Å; Q55-A57 VanDerWaalsContact C-N 3.25Å; Q55-A57 PolarHBondContact O-N 2.85Å
56	R	26.8	Very low	39.7	Very low	201 Å²	201	84.7 Å²	84.7	76%	0.758	50%	0.499	S	S	*	.			trans	-50.2	101.8	167.6	-120.4	-178	-169.8	148	2.1	106.3	F54 A58	F54-R56 PolarHBondContact O-N 2.85Å; R56-A58 PolarHBondContact O-N 3.37Å
57	A	30	Very low	38.5	Very low	83 Å²	83	91.6 Å²	91.6	69%	0.686	53%	0.526	S	S	*	.			trans	-65.5	82.1	152.1	0	0	0	0	0	104.1	Q55	Q55-A57 VanDerWaalsContact C-N 3.25Å; Q55-A57 PolarHBondContact O-N 2.85Å
58	A	25.6	Very low	37.1	Very low	72 Å²	72	96.6 Å²	96.6	60%	0.595	55%	0.55	S	S	*	*			trans	-83	116.9	146.9	0	0	0	0	0	104.2	R56 S60	R56-A58 PolarHBondContact O-N 3.37Å; A58-S60 PolarHBondContact O-N 2.69Å
59	D	27.4	Very low	35.9	Very low	163 Å²	163	107.9 Å²	107.9	87%	0.872	59%	0.592	S	S	*	*			trans	-48.4	110.2	167.4	-67.2	-57	0	0	0	109.9
60	S	21.9	Very low	34.6	Very low	76 Å²	76	113.4 Å²	113.4	53%	0.531	62%	0.622	S	S	.	*			trans	-141.6	107.6	156	62.2	0	0	0	0	106.8	A58 S62	A58-S60 PolarHBondContact O-N 2.69Å; S60-S62 VanDerWaalsContact C-N 3.27Å; S60-S62 PolarHBondContact O-N 3.43Å
61	P	26	Very low	33.8	Very low	141 Å²	141	119.2 Å²	119.2	92%	0.916	66%	0.66	S	S	*	*			trans	-76.7	78.6	-178.2	32.4	-33	0	0	0	109.2
62	S	27.7	Very low	32.8	Very low	100 Å²	100	128.1 Å²	128.1	70%	0.699	70%	0.695	S	S	*	*			trans	-160.9	36.7	178.4	56	0	0	0	0	114.8	S60	S60-S62 VanDerWaalsContact C-N 3.27Å; S60-S62 PolarHBondContact O-N 3.43Å
63	S	30.2	Very low	32.2	Very low	106 Å²	106	131 Å²	131	74%	0.741	72%	0.724	S	S	*	*			trans	-138.6	32.6	177.2	61	0	0	0	0	115.1
64	L	30.3	Very low	31.8	Very low	184 Å²	184	137.1 Å²	137.1	96%	0.963	75%	0.754	S	S	*	*	S	Bend	trans	-109.3	20.5	172.1	-80.3	173.9	0	0	0	115.1
65	S	29.8	Very low	31.2	Very low	116 Å²	116	143.1 Å²	143.1	81%	0.811	79%	0.787	S	S	*	*			trans	-133.3	29.6	-179.3	73.3	0	0	0	0	116.4
66	A	31.2	Very low	30.6	Very low	99 Å²	99	141.3 Å²	141.3	82%	0.818	79%	0.788	S	S	*	*			trans	-111.6	23.7	178.1	0	0	0	0	0	114.6
67	K	35.9	Very low	30.9	Very low	208 Å²	208	138.3 Å²	138.3	90%	0.904	79%	0.792	S	S	*	*	S	Bend	trans	-111.9	46.4	166.5	-76.3	-170.6	-179.7	178.8	0	112.3
68	Q	33.9	Very low	30.9	Very low	165 Å²	165	137.9 Å²	137.9	77%	0.771	80%	0.796	S	S	*	*			trans	-140.3	93.5	152.6	-77.5	-165.3	-11.9	0	0	108.1	N70	Q68-N70 PolarHBondContact O-N 3.01Å; Q68-N70 VanDerWaalsContact O-N 3.11Å
69	R	35.8	Very low	30.9	Very low	246 Å²	246	142 Å²	142	93%	0.928	81%	0.808	S	S	*	*			trans	-70	99.5	169.3	-98.5	-179.1	170.2	176.1	-3	107.7
70	N	31.5	Very low	31	Very low	118 Å²	118	140.5 Å²	140.5	63%	0.631	81%	0.805	S	S	*	*			trans	-79.1	134.4	169.5	-69.6	-17.1	0	0	0	109.7	Q68 Y72	Q68-N70 PolarHBondContact O-N 3.01Å; Q68-N70 VanDerWaalsContact O-N 3.11Å; N70-Y72 PolarHBondContact O-N 3.13Å; N70-Y72 VanDerWaalsContact O-N 3.08Å
71	P	40.1	Very low	31.5	Very low	122 Å²	122	144.5 Å²	144.5	79%	0.792	82%	0.819	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	3.4	-171.4	-17.5	31.4	0	0	0	116.9
72	Y	32.9	Very low	31.7	Very low	219 Å²	219	145.8 Å²	145.8	86%	0.859	81%	0.813	S	S	*	*	T	Hydrogen-bonded Turn	trans	-124.7	13.5	-170.9	-75.8	-79.3	0	0	0	115	N70 L74	N70-Y72 PolarHBondContact O-N 3.13Å; N70-Y72 VanDerWaalsContact O-N 3.08Å; Y72-L74 PolarHBondContact O-N 2.85Å
73	A	34.7	Very low	31.7	Very low	87 Å²	87	147.5 Å²	147.5	72%	0.719	82%	0.815	S	S	*	*			trans	-80.4	110	175.3	0	0	0	0	0	110.8
74	L	31.8	Very low	32.1	Very low	167 Å²	167	147.1 Å²	147.1	87%	0.874	81%	0.809	S	S	*	*			trans	-69.6	123.4	173.7	-80	159.3	0	0	0	110.7	Y72 T76	Y72-L74 PolarHBondContact O-N 2.85Å; L74-T76 PolarHBondContact O-N 3.48Å
75	N	33.1	Very low	32.7	Very low	159 Å²	159	141.2 Å²	141.2	85%	0.85	78%	0.779	S	S	*	*			trans	-66.5	121	172.5	-72.3	-22.2	0	0	0	110.3
76	T	26.9	Very low	33.3	Very low	136 Å²	136	136.3 Å²	136.3	83%	0.834	75%	0.747	S	S	*	*			trans	-105.7	116.4	162.7	-50.3	0	0	0	0	108.2	L74	L74-T76 PolarHBondContact O-N 3.48Å
77	T	32.7	Very low	33.9	Very low	137 Å²	137	133 Å²	133	84%	0.84	72%	0.715	S	S	*	*			trans	-70.1	133.3	178.1	45	0	0	0	0	111.6
78	G	30.4	Very low	34.3	Very low	75 Å²	75	127.8 Å²	127.8	77%	0.773	71%	0.705	S	S	*	*			trans	123.9	77.8	159.4	0	0	0	0	0	115
79	D	25.4	Very low	34.9	Very low	157 Å²	157	128 Å²	128	84%	0.84	70%	0.699	S	S	*	*				178.4	103.5	123.2	-118.2	-16.7	0	0	0	108.3	L81	D79-L81 PolarHBondContact O-N 2.98Å; D79-L81 VanDerWaalsContact O-N 3.16Å
80	V	29.4	Very low	35.7	Very low	133 Å²	133	118.4 Å²	118.4	81%	0.806	66%	0.664	S	S	*	*			trans	-81.2	91.7	171.5	176.8	0	0	0	0	106.4	E82	V80-E82 PolarHBondContact O-N 2.92Å; V80-E82 VanDerWaalsContact O-N 3.15Å
81	L	31.2	Very low	36.9	Very low	159 Å²	159	115.7 Å²	115.7	83%	0.832	65%	0.654	S	S	*	*			trans	-61.3	110.5	157.5	-90.6	148.4	0	0	0	107.1	D79 D83	D79-L81 PolarHBondContact O-N 2.98Å; D79-L81 VanDerWaalsContact O-N 3.16Å; L81-D83 PolarHBondContact O-N 3.43Å
82	E	30.4	Very low	37.9	Very low	169 Å²	169	113.3 Å²	113.3	79%	0.79	64%	0.635	S	S	*	*			trans	-60.2	99.2	174.7	-68	-173.9	127.1	0	0	110	V80 P84	V80-E82 PolarHBondContact O-N 2.92Å; V80-E82 VanDerWaalsContact O-N 3.15Å; E82-P84 VanDerWaalsContact O-CD 3.31Å; E82-P84 WeakPolarHBondContact O-CD 3.32Å
83	D	28.9	Very low	38.9	Very low	136 Å²	136	107.1 Å²	107.1	73%	0.727	62%	0.623	S	S	*	*			trans	-60.2	118.4	166.3	-89.9	-35.4	0	0	0	109.5	L81 D85	L81-D83 PolarHBondContact O-N 3.43Å; D83-D85 VanDerWaalsContact C-N 3.31Å; D83-D85 PolarHBondContact O-N 2.75Å
84	P	38.2	Very low	40.3	Very low	97 Å²	97	107 Å²	107	63%	0.63	61%	0.609	S	S	*	*	S	Bend	trans	-82.6	0.5	-170	31	-34.4	0	0	0	114.9	E82	E82-P84 VanDerWaalsContact O-CD 3.31Å; E82-P84 WeakPolarHBondContact O-CD 3.32Å
85	D	43.4	Very low	41.9	Very low	61 Å²	61	99.1 Å²	99.1	33%	0.326	57%	0.568	S	S	.	*			trans	-119.9	89.2	177.7	-82.2	-18.8	0	0	0	109.8	D83 D87 S88 R158	D83-D85 VanDerWaalsContact C-N 3.31Å; D83-D85 PolarHBondContact O-N 2.75Å; D85-D87 PolarHBondContact O-N 3.12Å; D85-S88 PolarHBondContact O-OG 3.36Å; D85-R158 IonicContact OD1-NH2 3.16Å; D85-R158 PolarHBondContact OD1-NH2 2.85Å; D85-R158 VanDerWaalsContact OD1-NH2 3.16Å
86	G	41.4	Very low	43.2	Very low	13 Å²	13	91.6 Å²	91.6	13%	0.134	53%	0.529	C	S	.	.	G	3₁₀ helix	trans	-64.3	11.1	175.6	0	0	0	0	0	115.5	S88	G86-S88 VanDerWaalsContact C-N 3.32Å
87	D	43.8	Very low	44.9	Very low	29 Å²	29	89.3 Å²	89.3	16%	0.155	52%	0.515	C	S	.	.	G	3₁₀ helix	trans	-78.5	-15.6	-179.4	-109.2	29.5	0	0	0	112.8	R51 D85	R51-D87 IonicContact CZ-OD2 3.77Å; R51-D87 IonicContact NE-OD2 3.88Å; R51-D87 PolarHBondContact NH2-O 3.22Å; R51-D87 IonicContact NH2-OD1 2.93Å; R51-D87 IonicContact NH2-OD2 2.67Å; R51-D87 PolarHBondContact NH2-OD2 3.48Å; D85-D87 PolarHBondContact O-N 3.12Å
88	S	44.8	Very low	46.6	Very low	99 Å²	99	85.7 Å²	85.7	69%	0.692	49%	0.489	S	S	*	.	G	3₁₀ helix	trans	-90.2	-5.4	-177.5	50.7	0	0	0	0	114.8	D85 G86	D85-S88 PolarHBondContact O-OG 3.36Å; G86-S88 VanDerWaalsContact C-N 3.32Å
89	R	45.9	Very low	48.2	Very low	170 Å²	170	82.1 Å²	82.1	64%	0.642	45%	0.452	S	S	*	.	S	Bend	trans	-94.7	-11.4	-174.8	-63.1	-156.3	-72.8	-148.2	3.3	115.7	D115	R89-D115 IonicContact CZ-OD2 3.68Å; R89-D115 IonicContact NE-OD2 3.84Å; R89-D115 IonicContact NH2-OD2 2.64Å; R89-D115 PolarHBondContact NH2-OD2 3.42Å
90	F	53.8	Low	49.9	Very low	44 Å²	44	75.6 Å²	75.6	19%	0.193	42%	0.42	C	S	.	.	S	Bend	trans	-112.2	126.9	-176.2	-54.6	-72.9	0	0	0	111.9	I94 L95 I114	F90-I94 HydrophobicContact CD1-CG2 4.48Å; F90-L95 HydrophobicContact CB-CD1 4.07Å; F90-L95 HydrophobicContact CB-CD2 3.81Å; F90-L95 HydrophobicContact CB-CG 3.69Å; F90-L95 HydrophobicContact CD2-CD2 4.46Å; F90-L95 HydrophobicContact CG-CD2 4.22Å; F90-I114 HydrophobicContact CE1-CG2 3.99Å; F90-I114 HydrophobicContact CE2-CG2 4.23Å; F90-I114 HydrophobicContact CZ-CB 4.39Å; F90-I114 HydrophobicContact CZ-CG2 3.43Å; F90-I114 VanDerWaalsContact CZ-CG2 3.43Å
91	S	54.9	Low	51.5	Low	60 Å²	60	70 Å²	70	42%	0.42	39%	0.387	S	S	.	.			trans	-71	148.9	171.3	64.8	0	0	0	0	110.8	S93 I94 L95	S91-S93 PolarHBondContact O-N 3.12Å; S91-S93 VanDerWaalsContact O-N 3.11Å; S91-I94 PolarHBondContact O-N 3.04Å; S91-I94 VanDerWaalsContact OG-CD1 3.23Å; S91-I94 WeakPolarHBondContact OG-CD1 3.19Å; S91-I94 VanDerWaalsContact OG-CG1 3.23Å; S91-I94 WeakPolarHBondContact OG-CG1 3.39Å; S91-L95 PolarHBondContact O-N 3.4Å
92	D	61	Low	52.8	Low	73 Å²	73	70.6 Å²	70.6	39%	0.39	38%	0.382	S	S	.	.	H	α-helix	trans	-57.3	-29.9	-177.4	-64.8	-25.9	0	0	0	112.7	A96	D92-A96 VanDerWaalsContact O-CB 3.26Å; D92-A96 WeakPolarHBondContact O-CB 3.35Å; D92-A96 PolarHBondContact O-N 3.43Å
93	S	54.6	Low	54.2	Low	89 Å²	89	67 Å²	67	62%	0.622	37%	0.368	S	S	*	.	H	α-helix	trans	-69.8	-37.4	174.4	-54.6	0	0	0	0	113.4	S91 T97	S91-S93 PolarHBondContact O-N 3.12Å; S91-S93 VanDerWaalsContact O-N 3.11Å; S93-T97 PolarHBondContact O-N 3.39Å; S93-T97 VanDerWaalsContact O-N 3.13Å; S93-T97 PolarHBondContact O-OG1 2.85Å
94	I	63.4	Low	55.5	Low	83 Å²	83	67 Å²	67	43%	0.426	37%	0.368	S	S	.	.	H	α-helix	trans	-71	-43.7	177.2	-67.3	169.9	0	0	0	109.3	F90 S91 T97 I98	F90-I94 HydrophobicContact CD1-CG2 4.48Å; S91-I94 PolarHBondContact O-N 3.04Å; S91-I94 VanDerWaalsContact OG-CD1 3.23Å; S91-I94 WeakPolarHBondContact OG-CD1 3.19Å; S91-I94 VanDerWaalsContact OG-CG1 3.23Å; S91-I94 WeakPolarHBondContact OG-CG1 3.39Å; I94-T97 PolarHBondContact O-N 2.69Å; I94-I98 HydrophobicContact CG2-CD1 3.45Å; I94-I98 VanDerWaalsContact CG2-CD1 3.45Å; I94-I98 HydrophobicContact CG2-CG1 4.21Å; I94-I98 WeakPolarHBondContact O-CB 3.38Å; I94-I98 VanDerWaalsContact O-CG1 3.23Å; I94-I98 WeakPolarHBondContact O-CG1 3.36Å; I94-I98 PolarHBondContact O-N 3.31Å
95	L	66.7	Low	56.5	Low	2 Å²	2	66.2 Å²	66.2	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-62.1	-44	174.7	-70.6	173.2	0	0	0	112	L48 F90 S91 T97 I98 L99 F119	L48-L95 HydrophobicContact CD1-CB 3.91Å; L48-L95 HydrophobicContact CD1-CD1 4.43Å; F90-L95 HydrophobicContact CB-CD1 4.07Å; F90-L95 HydrophobicContact CB-CD2 3.81Å; F90-L95 HydrophobicContact CB-CG 3.69Å; F90-L95 HydrophobicContact CD2-CD2 4.46Å; F90-L95 HydrophobicContact CG-CD2 4.22Å; S91-L95 PolarHBondContact O-N 3.4Å; L95-T97 PolarHBondContact O-N 2.92Å; L95-I98 PolarHBondContact O-N 3.27Å; L95-L99 HydrophobicContact CB-CD1 4.38Å; L95-L99 WeakPolarHBondContact O-CB 3.34Å; L95-L99 WeakPolarHBondContact O-CG 2.83Å; L95-L99 PolarHBondContact O-N 3.28Å; L95-F119 HydrophobicContact CD2-CE1 4.36Å; L95-F119 HydrophobicContact CD2-CZ 3.98Å
96	A	60.2	Low	57.1	Low	2 Å²	2	65.2 Å²	65.2	2%	0.017	36%	0.355	C	S	.	.	H	α-helix	trans	-57.8	-38.8	175.6	0	0	0	0	0	111.9	N46 L48 D92 A100	N46-A96 HydrophobicContact CB-CB 4.43Å; L48-A96 HydrophobicContact CB-CB 4.11Å; D92-A96 VanDerWaalsContact O-CB 3.26Å; D92-A96 WeakPolarHBondContact O-CB 3.35Å; D92-A96 PolarHBondContact O-N 3.43Å; A96-A100 WeakPolarHBondContact O-CB 3.25Å; A96-A100 PolarHBondContact O-N 2.87Å; A96-A100 VanDerWaalsContact O-N 3.13Å
97	T	62.3	Low	57.9	Low	88 Å²	88	66.9 Å²	66.9	54%	0.54	37%	0.372	S	S	.	.	H	α-helix	trans	-76.2	-40.4	-178.6	-53.6	0	0	0	0	112.4	S93 I94 L95	S93-T97 PolarHBondContact O-N 3.39Å; S93-T97 VanDerWaalsContact O-N 3.13Å; S93-T97 PolarHBondContact O-OG1 2.85Å; I94-T97 PolarHBondContact O-N 2.69Å; L95-T97 PolarHBondContact O-N 2.92Å
98	I	67.8	Low	58.8	Low	60 Å²	60	71.5 Å²	71.5	31%	0.308	39%	0.391	S	S	.	.	H	α-helix	trans	-71.8	-38.6	-179	-70.4	174.6	0	0	0	111.6	I94 L95 L112 I114	I94-I98 HydrophobicContact CG2-CD1 3.45Å; I94-I98 VanDerWaalsContact CG2-CD1 3.45Å; I94-I98 HydrophobicContact CG2-CG1 4.21Å; I94-I98 WeakPolarHBondContact O-CB 3.38Å; I94-I98 VanDerWaalsContact O-CG1 3.23Å; I94-I98 WeakPolarHBondContact O-CG1 3.36Å; I94-I98 PolarHBondContact O-N 3.31Å; L95-I98 PolarHBondContact O-N 3.27Å; I98-L112 HydrophobicContact CG2-CD2 3.12Å; I98-I114 HydrophobicContact CD1-CD1 4.21Å; I98-I114 HydrophobicContact CG2-CD1 4.06Å
99	L	65.3	Low	59.7	Low	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.375	C	S	.	.	H	α-helix	trans	-87.7	-15.2	-176.8	-60.5	176.7	0	0	0	112.9	I37 V39 L95 T101 F110 F119 N152 V154	I37-L99 HydrophobicContact CB-CD1 4.31Å; I37-L99 HydrophobicContact CD1-CD1 3.92Å; I37-L99 HydrophobicContact CG2-CD1 3.93Å; V39-L99 HydrophobicContact CB-CB 4.41Å; V39-L99 HydrophobicContact CG2-CB 3.8Å; V39-L99 HydrophobicContact CG2-CD1 3.97Å; L95-L99 HydrophobicContact CB-CD1 4.38Å; L95-L99 WeakPolarHBondContact O-CB 3.34Å; L95-L99 WeakPolarHBondContact O-CG 2.83Å; L95-L99 PolarHBondContact O-N 3.28Å; L99-T101 VanDerWaalsContact C-N 3.34Å; L99-T101 PolarHBondContact O-N 2.82Å; L99-T101 VanDerWaalsContact O-N 3.07Å; L99-F110 HydrophobicContact CD2-CE1 3.8Å; L99-F110 HydrophobicContact CD2-CZ 4.34Å; L99-F119 HydrophobicContact CD1-CD1 4.47Å; L99-F119 HydrophobicContact CD2-CB 3.95Å; L99-F119 HydrophobicContact CD2-CD1 4.03Å; L99-F119 HydrophobicContact CD2-CG 3.93Å; L99-N152 PolarHBondContact O-ND2 2.86Å; L99-V154 HydrophobicContact CB-CG2 4.46Å; L99-V154 HydrophobicContact CD2-CG1 4.04Å; L99-V154 HydrophobicContact CD2-CG2 4.28Å
100	A	60.2	Low	61	Low	20 Å²	20	63.7 Å²	63.7	17%	0.165	35%	0.349	C	S	.	.	S	Bend	trans	-77.2	85.7	167.8	0	0	0	0	0	110	V39 N46 A96	V39-A100 HydrophobicContact CG1-CB 4.34Å; N46-A100 HydrophobicContact CB-CB 3.77Å; N46-A100 WeakPolarHBondContact ND2-CB 3.35Å; N46-A100 WeakPolarHBondContact OD1-CB 3.22Å; A96-A100 WeakPolarHBondContact O-CB 3.25Å; A96-A100 PolarHBondContact O-N 2.87Å; A96-A100 VanDerWaalsContact O-N 3.13Å
101	T	62.4	Low	61.8	Low	17 Å²	17	65 Å²	65	10%	0.104	36%	0.355	C	S	.	.			trans	-67.9	151.1	176.5	55.9	0	0	0	0	112.1	L99 F110 P123	L99-T101 VanDerWaalsContact C-N 3.34Å; L99-T101 PolarHBondContact O-N 2.82Å; L99-T101 VanDerWaalsContact O-N 3.07Å; T101-F110 HydrophobicContact CG2-CD1 4.38Å; T101-F110 HydrophobicContact CG2-CD2 3.21Å; T101-F110 HydrophobicContact CG2-CE1 4.41Å; T101-F110 HydrophobicContact CG2-CE2 3.25Å; T101-F110 HydrophobicContact CG2-CG 3.8Å; T101-F110 HydrophobicContact CG2-CZ 3.87Å; T101-P123 HydrophobicContact CG2-CG 4.38Å; T101-P123 WeakPolarHBondContact OG1-CB 3.46Å; T101-P123 WeakPolarHBondContact OG1-CG 3.33Å
102	K	59.8	Low	62.8	Low	170 Å²	170	64.6 Å²	64.6	74%	0.739	35%	0.348	S	S	*	.			trans	-62.3	154.8	171.5	-62.8	-178.9	179.3	179.3	0	111.9	D104 M105	K102-D104 PolarHBondContact O-N 3.42Å; K102-M105 PolarHBondContact O-N 3.4Å; K102-M105 VanDerWaalsContact O-N 3.12Å
103	N	59.1	Low	63.3	Low	93 Å²	93	66.5 Å²	66.5	50%	0.497	35%	0.353	S	S	.	.	G	3₁₀ helix	trans	-50.6	-32.6	179.3	-76.3	-21.1	0	0	0	113.8	M105 C106 L150	N103-M105 VanDerWaalsContact C-N 3.25Å; N103-M105 PolarHBondContact O-N 2.79Å; N103-C106 WeakPolarHBondContact O-CB 3.25Å; N103-C106 PolarHBondContact O-N 3.35Å; N103-L150 VanDerWaalsContact OD1-CD1 3.27Å; N103-L150 WeakPolarHBondContact OD1-CD1 3.3Å
104	D	57.1	Low	64.1	Low	136 Å²	136	63.8 Å²	63.8	73%	0.727	33%	0.331	S	S	*	.	G	3₁₀ helix	trans	-69.3	-19.4	-176.3	-55.6	-31.5	0	0	0	114.3	K102	K102-D104 PolarHBondContact O-N 3.42Å
105	M	58.7	Low	64.4	Low	82 Å²	82	63.6 Å²	63.6	40%	0.404	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-94.9	0.5	178.2	-66.7	-61.6	-70.7	0	0	112.7	K102 N103 G107 K108 P123	K102-M105 PolarHBondContact O-N 3.4Å; K102-M105 VanDerWaalsContact O-N 3.12Å; N103-M105 VanDerWaalsContact C-N 3.25Å; N103-M105 PolarHBondContact O-N 2.79Å; M105-G107 PolarHBondContact O-N 2.97Å; M105-K108 PolarHBondContact O-N 3.49Å; M105-P123 WeakPolarHBondContact O-CG 3.4Å
106	C	56.3	Low	64.2	Low	40 Å²	40	68.1 Å²	68.1	27%	0.27	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	133.1	176.5	175.6	0	0	0	0	111	N103 K108 P123 L125	N103-C106 WeakPolarHBondContact O-CB 3.25Å; N103-C106 PolarHBondContact O-N 3.35Å; C106-K108 VanDerWaalsContact C-N 3.29Å; C106-K108 PolarHBondContact O-N 3.3Å; C106-P123 WeakPolarHBondContact CA-O 3.5Å; C106-L125 HydrophobicContact CB-CB 4.12Å; C106-L125 WeakPolarHBondContact SG-CB 3.23Å; C106-L125 PolarHBondContact SG-N 2.81Å
107	G	58.9	Low	64.6	Low	47 Å²	47	68.2 Å²	68.2	49%	0.485	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	4.1	178.7	0	0	0	0	0	114.6	M105 H122 P123	M105-G107 PolarHBondContact O-N 2.97Å; G107-H122 VanDerWaalsContact CA-CE1 3.45Å; G107-H122 WeakPolarHBondContact CA-CE1 3.44Å; G107-H122 PolarHBondContact O-CE1 3.14Å; G107-H122 VanDerWaalsContact O-CE1 3.29Å; G107-P123 PolarHBondContact N-O 3.23Å
108	K	61.7	Low	64.9	Low	127 Å²	127	67.1 Å²	67.1	55%	0.552	34%	0.342	S	S	*	.	S	Bend	trans	-107.3	168.9	174.1	-67.8	-179.2	-179.5	172.4	0	111.6	M105 C106 F110 H122	M105-K108 PolarHBondContact O-N 3.49Å; C106-K108 VanDerWaalsContact C-N 3.29Å; C106-K108 PolarHBondContact O-N 3.3Å; K108-F110 PolarHBondContact O-N 3.29Å; K108-H122 PolarHBondContact O-ND1 3Å; K108-H122 VanDerWaalsContact O-ND1 3.09Å
109	K	64.3	Low	65.2	Low	82 Å²	82	64.4 Å²	64.4	36%	0.357	33%	0.328	S	S	.	.			trans	-67.8	116.7	171	-177.6	-176.3	-174.5	-153.8	0	108.3	E111 H170	K109-E111 VanDerWaalsContact CE-OE2 3.29Å; K109-E111 WeakPolarHBondContact CE-OE2 3.27Å; K109-E111 IonicContact NZ-OE1 4Å; K109-E111 IonicContact NZ-OE2 3.1Å; K109-E111 PolarHBondContact NZ-OE2 3.16Å; K109-H170 VanDerWaalsContact CA-NE2 3.33Å; K109-H170 WeakPolarHBondContact CA-NE2 3.34Å; K109-H170 HydrophobicContact CG-CB 4.29Å
110	F	72.1	Confident	65.4	Low	23 Å²	23	64.4 Å²	64.4	10%	0.101	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.7	167.8	177.3	-107.1	0	0	0	108.3	L99 T101 K108 L112 V120 G121 P123	L99-F110 HydrophobicContact CD2-CE1 3.8Å; L99-F110 HydrophobicContact CD2-CZ 4.34Å; T101-F110 HydrophobicContact CG2-CD1 4.38Å; T101-F110 HydrophobicContact CG2-CD2 3.21Å; T101-F110 HydrophobicContact CG2-CE1 4.41Å; T101-F110 HydrophobicContact CG2-CE2 3.25Å; T101-F110 HydrophobicContact CG2-CG 3.8Å; T101-F110 HydrophobicContact CG2-CZ 3.87Å; K108-F110 PolarHBondContact O-N 3.29Å; F110-L112 HydrophobicContact CE1-CB 4.11Å; F110-L112 HydrophobicContact CE2-CB 4.36Å; F110-L112 HydrophobicContact CZ-CB 3.8Å; F110-L112 HydrophobicContact CZ-CD2 4.09Å; F110-V120 CarbonylContact O-C 3.54Å; F110-V120 WeakPolarHBondContact O-CA 3.3Å; F110-G121 WeakPolarHBondContact CB-O 3.23Å; F110-G121 PolarHBondContact N-O 2.75Å; F110-G121 PolarHBondContact O-N 3.31Å; F110-P123 HydrophobicContact CB-CG 4.15Å
111	E	72.1	Confident	65.9	Low	70 Å²	70	63.5 Å²	63.5	33%	0.327	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	118.5	179.4	-179.6	169.6	-154.7	0	0	108.3	K109 R118 F119 I166	K109-E111 VanDerWaalsContact CE-OE2 3.29Å; K109-E111 WeakPolarHBondContact CE-OE2 3.27Å; K109-E111 IonicContact NZ-OE1 4Å; K109-E111 IonicContact NZ-OE2 3.1Å; K109-E111 PolarHBondContact NZ-OE2 3.16Å; E111-R118 HydrophobicContact CG-CG 4.15Å; E111-R118 VanDerWaalsContact OE1-CD 3.27Å; E111-R118 WeakPolarHBondContact OE1-CD 2.72Å; E111-R118 IonicContact OE1-CZ 3.37Å; E111-R118 IonicContact OE1-NE 2.78Å; E111-R118 IonicContact OE1-NH1 2.65Å; E111-R118 PolarHBondContact OE1-NH1 3.48Å; E111-F119 CarbonylContact C-O 3.54Å; E111-F119 WeakPolarHBondContact CA-O 3.27Å; E111-I166 WeakPolarHBondContact OE1-CG2 3.35Å
112	L	74.1	Confident	66.1	Low	52 Å²	52	63.2 Å²	63.2	27%	0.272	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	118	-179.2	-176.2	70.7	0	0	0	109	I98 F110 I114 R118 F119	I98-L112 HydrophobicContact CG2-CD2 3.12Å; F110-L112 HydrophobicContact CE1-CB 4.11Å; F110-L112 HydrophobicContact CE2-CB 4.36Å; F110-L112 HydrophobicContact CZ-CB 3.8Å; F110-L112 HydrophobicContact CZ-CD2 4.09Å; L112-I114 HydrophobicContact CD2-CD1 3.74Å; L112-I114 HydrophobicContact CD2-CG1 3.97Å; L112-I114 HydrophobicContact CG-CD1 4.28Å; L112-I114 HydrophobicContact CG-CG1 3.93Å; L112-R118 CarbonylContact O-C 3.57Å; L112-R118 WeakPolarHBondContact O-CA 3.23Å; L112-F119 HydrophobicContact CB-CB 4.34Å; L112-F119 PolarHBondContact N-O 3.33Å; L112-F119 PolarHBondContact O-N 3.02Å
113	K	72.4	Confident	66.5	Low	114 Å²	114	55.2 Å²	55.2	50%	0.496	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	122.1	171.8	-177.1	177.1	170.1	173.7	0	108.7	D115 V117 A159	K113-D115 VanDerWaalsContact CE-O 3.29Å; K113-D115 WeakPolarHBondContact CE-O 3.45Å; K113-V117 WeakPolarHBondContact CA-O 3.44Å; K113-A159 HydrophobicContact CD-CB 4.4Å
114	I	71.6	Confident	66.7	Low	32 Å²	32	51.2 Å²	51.2	16%	0.164	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	119.3	170	-48.7	-179.5	0	0	0	106.9	F90 I98 L112 N116 V117 F119	F90-I114 HydrophobicContact CE1-CG2 3.99Å; F90-I114 HydrophobicContact CE2-CG2 4.23Å; F90-I114 HydrophobicContact CZ-CB 4.39Å; F90-I114 HydrophobicContact CZ-CG2 3.43Å; F90-I114 VanDerWaalsContact CZ-CG2 3.43Å; I98-I114 HydrophobicContact CD1-CD1 4.21Å; I98-I114 HydrophobicContact CG2-CD1 4.06Å; L112-I114 HydrophobicContact CD2-CD1 3.74Å; L112-I114 HydrophobicContact CD2-CG1 3.97Å; L112-I114 HydrophobicContact CG-CD1 4.28Å; L112-I114 HydrophobicContact CG-CG1 3.93Å; I114-N116 PolarHBondContact O-N 3.46Å; I114-V117 CarbonylContact C-O 3.56Å; I114-V117 PolarHBondContact N-O 2.81Å; I114-V117 CarbonylContact O-C 3.52Å; I114-V117 PolarHBondContact O-N 3.11Å; I114-F119 HydrophobicContact CB-CE2 4.35Å; I114-F119 HydrophobicContact CD1-CD2 4.21Å; I114-F119 HydrophobicContact CD1-CE2 3.92Å; I114-F119 HydrophobicContact CG1-CD2 4.29Å; I114-F119 HydrophobicContact CG1-CE2 4.2Å
115	D	69.4	Low	67.1	Low	79 Å²	79	46 Å²	46	42%	0.422	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	-120.8	-175.5	-59.5	-13.9	0	0	0	112.5	R89 K113 V117	R89-D115 IonicContact CZ-OD2 3.68Å; R89-D115 IonicContact NE-OD2 3.84Å; R89-D115 IonicContact NH2-OD2 2.64Å; R89-D115 PolarHBondContact NH2-OD2 3.42Å; K113-D115 VanDerWaalsContact CE-O 3.29Å; K113-D115 WeakPolarHBondContact CE-O 3.45Å; D115-V117 VanDerWaalsContact C-N 3.34Å
116	N	63.3	Low	67.3	Low	97 Å²	97	42.9 Å²	42.9	52%	0.519	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.4	9.6	-178.9	-67.1	-17.8	0	0	0	112.8	I114 R158 A159	I114-N116 PolarHBondContact O-N 3.46Å; N116-R158 CarbonylContact O-C 3.54Å; N116-R158 WeakPolarHBondContact O-CA 3.43Å; N116-A159 WeakPolarHBondContact O-CB 3.44Å; N116-A159 PolarHBondContact O-N 2.8Å
117	V	69	Low	66.9	Low	3 Å²	3	47.6 Å²	47.6	2%	0.018	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	133.6	-178.7	-174.6	0	0	0	0	110.6	I34 K113 I114 D115 F119 A156 L157	I34-V117 HydrophobicContact CD1-CG1 4.3Å; I34-V117 HydrophobicContact CD1-CG2 3.98Å; K113-V117 WeakPolarHBondContact CA-O 3.44Å; I114-V117 CarbonylContact C-O 3.56Å; I114-V117 PolarHBondContact N-O 2.81Å; I114-V117 CarbonylContact O-C 3.52Å; I114-V117 PolarHBondContact O-N 3.11Å; D115-V117 VanDerWaalsContact C-N 3.34Å; V117-F119 HydrophobicContact CB-CE2 4.4Å; V117-F119 HydrophobicContact CG1-CD2 4.42Å; V117-F119 HydrophobicContact CG1-CE1 4.21Å; V117-F119 HydrophobicContact CG1-CE2 3.96Å; V117-F119 HydrophobicContact CG1-CZ 3.84Å; V117-A156 HydrophobicContact CG1-CB 3.85Å; V117-L157 CarbonylContact C-O 3.21Å; V117-L157 VanDerWaalsContact CA-O 3.3Å; V117-L157 WeakPolarHBondContact CA-O 3.5Å
118	R	67.2	Low	66.3	Low	66 Å²	66	50.2 Å²	50.2	25%	0.249	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	113.2	174.2	-174.3	170.1	-84.4	-148.4	2	109.3	E111 L112 V120 L157	E111-R118 HydrophobicContact CG-CG 4.15Å; E111-R118 VanDerWaalsContact OE1-CD 3.27Å; E111-R118 WeakPolarHBondContact OE1-CD 2.72Å; E111-R118 IonicContact OE1-CZ 3.37Å; E111-R118 IonicContact OE1-NE 2.78Å; E111-R118 IonicContact OE1-NH1 2.65Å; E111-R118 PolarHBondContact OE1-NH1 3.48Å; L112-R118 CarbonylContact O-C 3.57Å; L112-R118 WeakPolarHBondContact O-CA 3.23Å; R118-V120 HydrophobicContact CG-CG2 4.16Å; R118-L157 PolarHBondContact N-O 3.32Å; R118-L157 PolarHBondContact O-N 2.97Å
119	F	73.9	Confident	64.6	Low	3 Å²	3	48.5 Å²	48.5	1%	0.013	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	124	174.1	-63.1	-80.3	0	0	0	109.5	I37 L95 L99 E111 L112 I114 V117 V154 A156	I37-F119 HydrophobicContact CD1-CD1 4.24Å; I37-F119 HydrophobicContact CD1-CE1 3.77Å; L95-F119 HydrophobicContact CD2-CE1 4.36Å; L95-F119 HydrophobicContact CD2-CZ 3.98Å; L99-F119 HydrophobicContact CD1-CD1 4.47Å; L99-F119 HydrophobicContact CD2-CB 3.95Å; L99-F119 HydrophobicContact CD2-CD1 4.03Å; L99-F119 HydrophobicContact CD2-CG 3.93Å; E111-F119 CarbonylContact C-O 3.54Å; E111-F119 WeakPolarHBondContact CA-O 3.27Å; L112-F119 HydrophobicContact CB-CB 4.34Å; L112-F119 PolarHBondContact N-O 3.33Å; L112-F119 PolarHBondContact O-N 3.02Å; I114-F119 HydrophobicContact CB-CE2 4.35Å; I114-F119 HydrophobicContact CD1-CD2 4.21Å; I114-F119 HydrophobicContact CD1-CE2 3.92Å; I114-F119 HydrophobicContact CG1-CD2 4.29Å; I114-F119 HydrophobicContact CG1-CE2 4.2Å; V117-F119 HydrophobicContact CB-CE2 4.4Å; V117-F119 HydrophobicContact CG1-CD2 4.42Å; V117-F119 HydrophobicContact CG1-CE1 4.21Å; V117-F119 HydrophobicContact CG1-CE2 3.96Å; V117-F119 HydrophobicContact CG1-CZ 3.84Å; F119-V154 HydrophobicContact CB-CG1 3.72Å; F119-V154 HydrophobicContact CD1-CG1 3.94Å; F119-V154 HydrophobicContact CG-CG1 4.31Å; F119-A156 HydrophobicContact CD1-CB 3.82Å; F119-A156 HydrophobicContact CE1-CB 3.75Å
120	V	71.1	Confident	63.3	Low	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.9	-178.3	-176.2	0	0	0	0	108	F110 R118 V154 F155 L157 I166 M169 H170	F110-V120 CarbonylContact O-C 3.54Å; F110-V120 WeakPolarHBondContact O-CA 3.3Å; R118-V120 HydrophobicContact CG-CG2 4.16Å; V120-V154 CarbonylContact O-C 3.58Å; V120-V154 WeakPolarHBondContact O-CA 3.45Å; V120-F155 PolarHBondContact N-O 2.59Å; V120-F155 PolarHBondContact O-N 2.99Å; V120-L157 HydrophobicContact CB-CD1 4.18Å; V120-L157 HydrophobicContact CG2-CD1 3.82Å; V120-I166 HydrophobicContact CG1-CG2 4.29Å; V120-I166 HydrophobicContact CG2-CG2 3.78Å; V120-M169 HydrophobicContact CG1-CB 4.3Å; V120-H170 HydrophobicContact CG1-CB 3.74Å
121	G	69.2	Low	61.5	Low	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	174.2	-178.6	0	0	0	0	0	113.5	F110 V153 H170	F110-G121 WeakPolarHBondContact CB-O 3.23Å; F110-G121 PolarHBondContact N-O 2.75Å; F110-G121 PolarHBondContact O-N 3.31Å; G121-V153 WeakPolarHBondContact CA-O 3.43Å; G121-H170 PolarHBondContact O-CD2 2.83Å
122	H	67.3	Low	59.7	Low	12 Å²	12	61 Å²	61	6%	0.056	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	93.5	173.8	-168.2	65.5	0	0	0	109.9	G107 K108 T124 N152 V153 H170 S173 R174	G107-H122 VanDerWaalsContact CA-CE1 3.45Å; G107-H122 WeakPolarHBondContact CA-CE1 3.44Å; G107-H122 PolarHBondContact O-CE1 3.14Å; G107-H122 VanDerWaalsContact O-CE1 3.29Å; K108-H122 PolarHBondContact O-ND1 3Å; K108-H122 VanDerWaalsContact O-ND1 3.09Å; H122-T124 PolarHBondContact CD2-OG1 2.84Å; H122-T124 PolarHBondContact O-N 3.36Å; H122-T124 PolarHBondContact O-OG1 3.47Å; H122-T124 VanDerWaalsContact O-OG1 3.11Å; H122-N152 VanDerWaalsContact C-OD1 3.31Å; H122-N152 PolarHBondContact N-OD1 3.35Å; H122-V153 PolarHBondContact N-O 3.01Å; H122-H170 AromaticContact ND1-NE2 3.5Å; H122-H170 PolarHBondContact ND1-NE2 3.23Å; H122-S173 PolarHBondContact N-OG 2.82Å; H122-R174 HydrophobicContact CB-CB 4.19Å
123	P	68.3	Low	57.6	Low	1 Å²	1	67.2 Å²	67.2	1%	0.006	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	124.4	178.1	27.7	-34.4	0	0	0	108.9	T101 M105 C106 G107 F110 N152	T101-P123 HydrophobicContact CG2-CG 4.38Å; T101-P123 WeakPolarHBondContact OG1-CB 3.46Å; T101-P123 WeakPolarHBondContact OG1-CG 3.33Å; M105-P123 WeakPolarHBondContact O-CG 3.4Å; C106-P123 WeakPolarHBondContact CA-O 3.5Å; G107-P123 PolarHBondContact N-O 3.23Å; F110-P123 HydrophobicContact CB-CG 4.15Å; P123-N152 HydrophobicContact CB-CB 4.38Å
124	T	63.7	Low	55.7	Low	9 Å²	9	68 Å²	68	6%	0.055	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.6	-174.7	-55.6	0	0	0	0	109.4	H122 F151 A177	H122-T124 PolarHBondContact CD2-OG1 2.84Å; H122-T124 PolarHBondContact O-N 3.36Å; H122-T124 PolarHBondContact O-OG1 3.47Å; H122-T124 VanDerWaalsContact O-OG1 3.11Å; T124-F151 HydrophobicContact CG2-CE1 3.99Å; T124-F151 HydrophobicContact CG2-CZ 4.04Å; T124-F151 PolarHBondContact N-O 2.93Å; T124-F151 WeakPolarHBondContact O-CD1 3.39Å; T124-F151 PolarHBondContact O-N 3.37Å; T124-A177 VanDerWaalsContact OG1-CB 3.24Å; T124-A177 WeakPolarHBondContact OG1-CB 3.3Å
125	L	65.3	Low	53.5	Low	27 Å²	27	72 Å²	72	14%	0.141	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	130.6	178.3	-174.1	82.2	0	0	0	109	C106 Q127 I149 L150 Q181	C106-L125 HydrophobicContact CB-CB 4.12Å; C106-L125 WeakPolarHBondContact SG-CB 3.23Å; C106-L125 PolarHBondContact SG-N 2.81Å; L125-Q127 VanDerWaalsContact C-N 3.28Å; L125-Q127 HydrophobicContact CD2-CB 3.74Å; L125-Q127 HydrophobicContact CD2-CG 3.48Å; L125-Q127 VanDerWaalsContact CD2-CG 3.48Å; L125-Q127 HydrophobicContact CG-CB 4.04Å; L125-Q127 HydrophobicContact CG-CG 3.89Å; L125-Q127 PolarHBondContact O-N 3.44Å; L125-I149 HydrophobicContact CD1-CG2 3.99Å; L125-L150 HydrophobicContact CB-CD2 4.09Å; L125-L150 HydrophobicContact CD1-CD2 3.48Å; L125-L150 VanDerWaalsContact CD1-CD2 3.48Å; L125-L150 HydrophobicContact CD1-CG 3.89Å; L125-L150 HydrophobicContact CG-CD2 4.4Å; L125-Q181 PolarHBondContact O-NE2 2.9Å
126	L	61.7	Low	51.8	Low	16 Å²	16	77 Å²	77	8%	0.084	41%	0.409	C	S	.	.			trans	-94.8	59.7	175.9	-125.6	158.1	0	0	0	108.6	I149 F151 E184 L190	L126-I149 WeakPolarHBondContact CB-O 3.29Å; L126-I149 PolarHBondContact N-O 3.21Å; L126-F151 HydrophobicContact CD1-CD1 3.67Å; L126-F151 HydrophobicContact CD1-CE1 3.79Å; L126-F151 HydrophobicContact CG-CD1 4.34Å; L126-F151 HydrophobicContact CG-CE1 4.21Å; L126-E184 HydrophobicContact CD1-CB 4.26Å; L126-E184 HydrophobicContact CD1-CG 3.66Å; L126-E184 HydrophobicContact CD2-CB 4.1Å; L126-E184 HydrophobicContact CD2-CG 3.27Å; L126-E184 HydrophobicContact CG-CG 3.97Å; L126-L190 HydrophobicContact CD1-CD2 3.76Å
127	Q	48.8	Very low	50.2	Low	139 Å²	139	78.4 Å²	78.4	65%	0.65	42%	0.421	S	S	*	.	P	Polyproline II helix	trans	-86.7	116	173.9	-102.9	-178.8	-9.9	0	0	110.3	L125	L125-Q127 VanDerWaalsContact C-N 3.28Å; L125-Q127 HydrophobicContact CD2-CB 3.74Å; L125-Q127 HydrophobicContact CD2-CG 3.48Å; L125-Q127 VanDerWaalsContact CD2-CG 3.48Å; L125-Q127 HydrophobicContact CG-CB 4.04Å; L125-Q127 HydrophobicContact CG-CG 3.89Å; L125-Q127 PolarHBondContact O-N 3.44Å
128	H	45.5	Very low	48.2	Very low	103 Å²	103	85.7 Å²	85.7	48%	0.477	46%	0.46	S	S	.	.	P	Polyproline II helix	trans	-69.9	122.2	155.7	-77.2	-77.1	0	0	0	108.4
129	S	27.6	Very low	46.8	Very low	90 Å²	90	88 Å²	88	63%	0.629	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-65.8	127.2	163.2	-178.9	0	0	0	0	108.6	L131	S129-L131 PolarHBondContact O-N 3Å
130	P	35.5	Very low	44.5	Very low	125 Å²	125	93.6 Å²	93.6	81%	0.812	52%	0.523	S	S	*	.			trans	-83.5	53.4	176.6	35.7	-33.9	0	0	0	110.9
131	L	34.3	Very low	42.9	Very low	144 Å²	144	99.2 Å²	99.2	75%	0.754	56%	0.559	S	S	*	*			trans	-127.8	60.6	178.4	-79.4	168.3	0	0	0	111.5	S129	S129-L131 PolarHBondContact O-N 3Å
132	I	34.1	Very low	41.1	Very low	170 Å²	170	108.5 Å²	108.5	87%	0.872	60%	0.6	S	S	*	*	S	Bend	trans	-133.2	110	144.4	-61.6	-174.6	0	0	0	106.7
133	Q	30.9	Very low	39.8	Very low	182 Å²	182	120.1 Å²	120.1	85%	0.85	64%	0.643	S	S	*	*			trans	-53.2	146.2	175.7	-79.5	171.5	-23	0	0	111.7	S135	Q133-S135 PolarHBondContact O-N 2.91Å
134	V	32	Very low	38.2	Very low	131 Å²	131	126.5 Å²	126.5	79%	0.794	67%	0.673	S	S	*	*			trans	-45	111.7	167.8	-177.3	0	0	0	0	111.5	K136	V134-K136 HydrophobicContact CG1-CG 4.14Å
135	S	25.7	Very low	37.2	Very low	116 Å²	116	134.1 Å²	134.1	81%	0.811	71%	0.71	S	S	*	*			trans	-115	118.1	144.3	51.2	0	0	0	0	108	Q133	Q133-S135 PolarHBondContact O-N 2.91Å
136	K	34.6	Very low	36.3	Very low	183 Å²	183	135.8 Å²	135.8	80%	0.796	72%	0.722	S	S	*	*			trans	-67.2	124.8	-178.8	-65.5	170.2	173.8	175.5	0	109.5	V134	V134-K136 HydrophobicContact CG1-CG 4.14Å
137	T	29.3	Very low	35.7	Very low	127 Å²	127	137.5 Å²	137.5	78%	0.779	73%	0.734	S	S	*	*			trans	172	103.4	136.5	44	0	0	0	0	109.1
138	D	26.8	Very low	36.1	Very low	156 Å²	156	131.3 Å²	131.3	83%	0.834	71%	0.705	S	S	*	*			trans	159.3	140.7	132.1	-82.5	-20.5	0	0	0	112.7
139	P	36.8	Very low	36.9	Very low	114 Å²	114	129.9 Å²	129.9	74%	0.74	70%	0.7	S	S	*	*			trans	-90.6	138.3	-179.7	34.5	-28.9	0	0	0	112.3
140	S	26.6	Very low	38.8	Very low	120 Å²	120	126.4 Å²	126.4	84%	0.839	67%	0.674	S	S	*	*			trans	92.8	153.1	166.6	82.1	0	0	0	0	118.9
141	P	37.4	Very low	40.5	Very low	118 Å²	118	120.6 Å²	120.6	77%	0.766	64%	0.636	S	S	*	*			cis	-105.3	150.4	-26.9	33.2	-19.1	0	0	0	111.4	R143	P141-R143 PolarHBondContact O-N 3.48Å
142	K	31.1	Very low	42.2	Very low	195 Å²	195	113.9 Å²	113.9	85%	0.848	60%	0.601	S	S	*	*			trans	1.7	102.4	168.7	-63	175	-179.2	177	0	115.8	E144	K142-E144 VanDerWaalsContact C-N 3.27Å; K142-E144 PolarHBondContact O-N 3.44Å
143	R	40.2	Very low	44	Very low	256 Å²	256	105.8 Å²	105.8	97%	0.966	56%	0.56	S	S	*	*			trans	-57.7	93	157.3	-88.5	-179.6	174.3	169.3	-1.3	107.9	P141 M145	P141-R143 PolarHBondContact O-N 3.48Å; R143-M145 PolarHBondContact O-N 3.09Å
144	E	34.8	Very low	45.9	Very low	135 Å²	135	97.1 Å²	97.1	63%	0.631	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-63.5	122.7	168.7	-70.8	-174.2	167	0	0	108	K142 K195	K142-E144 VanDerWaalsContact C-N 3.27Å; K142-E144 PolarHBondContact O-N 3.44Å; E144-K195 IonicContact OE2-NZ 2.59Å; E144-K195 PolarHBondContact OE2-NZ 3.22Å
145	M	41.3	Very low	47.9	Very low	170 Å²	170	91 Å²	91	84%	0.837	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-54.6	135.3	172	-75.6	139.6	162.6	0	0	109.2	R143 T147	R143-M145 PolarHBondContact O-N 3.09Å; M145-T147 PolarHBondContact O-N 3.24Å; M145-T147 VanDerWaalsContact O-N 3.13Å
146	P	46.5	Very low	50	Low	62 Å²	62	85.4 Å²	85.4	40%	0.403	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-61	122.6	179.9	23.4	-30.8	0	0	0	109.2	M148	P146-M148 PolarHBondContact O-N 3.29Å
147	T	49.3	Very low	51.7	Low	52 Å²	52	76.7 Å²	76.7	32%	0.319	41%	0.405	S	S	.	.	S	Bend	trans	-72	-3.6	178.8	46.2	0	0	0	0	112.9	G42 M145	G42-T147 WeakPolarHBondContact CA-O 3.48Å; M145-T147 PolarHBondContact O-N 3.24Å; M145-T147 VanDerWaalsContact O-N 3.13Å
148	M	57.4	Low	53.5	Low	8 Å²	8	74.7 Å²	74.7	4%	0.039	38%	0.383	C	S	.	.			trans	-134.6	120.8	-171	-170.2	159.6	164.5	0	0	109.1	S40 L49 P146 F151 L190 A194	S40-M148 WeakPolarHBondContact CB-SD 3.45Å; L49-M148 HydrophobicContact CD1-CE 3.82Å; L49-M148 HydrophobicContact CD1-SD 4.16Å; P146-M148 PolarHBondContact O-N 3.29Å; M148-F151 HydrophobicContact CE-CB 3.24Å; M148-F151 HydrophobicContact CE-CG 4.3Å; M148-L190 HydrophobicContact CE-CD2 3.93Å; M148-L190 HydrophobicContact CE-CG 4.25Å; M148-A194 HydrophobicContact SD-CB 4.03Å
149	I	62.6	Low	55.1	Low	74 Å²	74	67.9 Å²	67.9	38%	0.379	35%	0.349	S	S	.	.	S	Bend	trans	-107.8	-31.9	-172.9	-58.2	169.7	0	0	0	109.9	S41 L125 L126	S41-I149 PolarHBondContact O-N 2.88Å; L125-I149 HydrophobicContact CD1-CG2 3.99Å; L126-I149 WeakPolarHBondContact CB-O 3.29Å; L126-I149 PolarHBondContact N-O 3.21Å
150	L	68.2	Low	56.1	Low	16 Å²	16	68.5 Å²	68.5	8%	0.084	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	144	-179.5	-71.2	156.6	0	0	0	108.9	S41 N103 L125	S41-L150 PolarHBondContact N-O 2.94Å; S41-L150 PolarHBondContact O-N 3.31Å; S41-L150 VanDerWaalsContact O-O 3.12Å; N103-L150 VanDerWaalsContact OD1-CD1 3.27Å; N103-L150 WeakPolarHBondContact OD1-CD1 3.3Å; L125-L150 HydrophobicContact CB-CD2 4.09Å; L125-L150 HydrophobicContact CD1-CD2 3.48Å; L125-L150 VanDerWaalsContact CD1-CD2 3.48Å; L125-L150 HydrophobicContact CD1-CG 3.89Å; L125-L150 HydrophobicContact CG-CD2 4.4Å
151	F	70.8	Confident	57.7	Low	3 Å²	3	63.3 Å²	63.3	1%	0.013	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	147.4	165.9	73.8	-83.6	0	0	0	109.9	V39 T124 L126 M148 V153 A177 L180 L190	V39-F151 CarbonylContact O-C 3.58Å; V39-F151 WeakPolarHBondContact O-CA 3.29Å; T124-F151 HydrophobicContact CG2-CE1 3.99Å; T124-F151 HydrophobicContact CG2-CZ 4.04Å; T124-F151 PolarHBondContact N-O 2.93Å; T124-F151 WeakPolarHBondContact O-CD1 3.39Å; T124-F151 PolarHBondContact O-N 3.37Å; L126-F151 HydrophobicContact CD1-CD1 3.67Å; L126-F151 HydrophobicContact CD1-CE1 3.79Å; L126-F151 HydrophobicContact CG-CD1 4.34Å; L126-F151 HydrophobicContact CG-CE1 4.21Å; M148-F151 HydrophobicContact CE-CB 3.24Å; M148-F151 HydrophobicContact CE-CG 4.3Å; F151-V153 HydrophobicContact CD2-CG2 4.32Å; F151-V153 HydrophobicContact CE2-CG2 4.4Å; F151-A177 HydrophobicContact CE2-CB 4.09Å; F151-A177 HydrophobicContact CZ-CB 4.34Å; F151-A177 WeakPolarHBondContact CZ-O 3.47Å; F151-L180 HydrophobicContact CE2-CB 3.9Å; F151-L180 HydrophobicContact CE2-CD1 3.93Å; F151-L180 HydrophobicContact CZ-CB 3.9Å; F151-L190 HydrophobicContact CB-CD2 4.19Å; F151-L190 HydrophobicContact CD1-CD2 3.75Å; F151-L190 HydrophobicContact CD2-CD2 4.11Å; F151-L190 HydrophobicContact CE1-CD2 4.05Å; F151-L190 HydrophobicContact CE2-CD2 4.41Å; F151-L190 HydrophobicContact CG-CD2 3.76Å; F151-L190 HydrophobicContact CZ-CD2 4.37Å
152	N	69	Low	58.9	Low	4 Å²	4	61.1 Å²	61.1	2%	0.021	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	120.6	179.9	-166	9.4	0	0	0	108.6	V39 L99 H122 P123 V154	V39-N152 PolarHBondContact N-O 3.02Å; V39-N152 PolarHBondContact O-N 3.09Å; L99-N152 PolarHBondContact O-ND2 2.86Å; H122-N152 VanDerWaalsContact C-OD1 3.31Å; H122-N152 PolarHBondContact N-OD1 3.35Å; P123-N152 HydrophobicContact CB-CB 4.38Å; N152-V154 HydrophobicContact CB-CG2 4.23Å; N152-V154 VanDerWaalsContact CG-CG2 3.43Å; N152-V154 VanDerWaalsContact ND2-CG2 3.32Å; N152-V154 WeakPolarHBondContact ND2-CG2 3.2Å
153	V	72.3	Confident	60.6	Low	0 Å²	0	56.6 Å²	56.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	116.1	168.7	-175.9	0	0	0	0	106.5	V36 L38 G121 H122 F151 F155 I176 L180	V36-V153 HydrophobicContact CG1-CG1 4.5Å; L38-V153 HydrophobicContact CD1-CG2 3.73Å; G121-V153 WeakPolarHBondContact CA-O 3.43Å; H122-V153 PolarHBondContact N-O 3.01Å; F151-V153 HydrophobicContact CD2-CG2 4.32Å; F151-V153 HydrophobicContact CE2-CG2 4.4Å; V153-F155 HydrophobicContact CG1-CE2 4.13Å; V153-I176 HydrophobicContact CG1-CG2 4.49Å; V153-I176 HydrophobicContact CG2-CG2 4.28Å; V153-L180 HydrophobicContact CG2-CD1 4.07Å
154	V	71.8	Confident	61.8	Low	0 Å²	0	46.2 Å²	46.2	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	129.1	-174.1	-177	0	0	0	0	109.4	V36 I37 L99 F119 V120 N152	V36-V154 CarbonylContact C-O 3.51Å; V36-V154 WeakPolarHBondContact CA-O 3.33Å; I37-V154 HydrophobicContact CB-CB 4.42Å; I37-V154 PolarHBondContact N-O 3.36Å; I37-V154 PolarHBondContact O-N 2.8Å; L99-V154 HydrophobicContact CB-CG2 4.46Å; L99-V154 HydrophobicContact CD2-CG1 4.04Å; L99-V154 HydrophobicContact CD2-CG2 4.28Å; F119-V154 HydrophobicContact CB-CG1 3.72Å; F119-V154 HydrophobicContact CD1-CG1 3.94Å; F119-V154 HydrophobicContact CG-CG1 4.31Å; V120-V154 CarbonylContact O-C 3.58Å; V120-V154 WeakPolarHBondContact O-CA 3.45Å; N152-V154 HydrophobicContact CB-CG2 4.23Å; N152-V154 VanDerWaalsContact CG-CG2 3.43Å; N152-V154 VanDerWaalsContact ND2-CG2 3.32Å; N152-V154 WeakPolarHBondContact ND2-CG2 3.2Å
155	F	72.5	Confident	63.4	Low	1 Å²	1	39.8 Å²	39.8	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.3	167.4	-67.2	-88.2	0	0	0	109	S35 V36 V120 V153 L157 M169 L172 I176	S35-F155 CarbonylContact O-C 3.58Å; S35-F155 WeakPolarHBondContact O-CA 3.45Å; V36-F155 HydrophobicContact CB-CD1 4.32Å; V36-F155 HydrophobicContact CB-CE1 4.23Å; V36-F155 HydrophobicContact CG1-CD1 4.2Å; V36-F155 HydrophobicContact CG1-CE1 3.84Å; V36-F155 HydrophobicContact CG1-CZ 4.18Å; V36-F155 HydrophobicContact CG2-CD1 3.63Å; V36-F155 HydrophobicContact CG2-CE1 3.47Å; V36-F155 VanDerWaalsContact CG2-CE1 3.47Å; V120-F155 PolarHBondContact N-O 2.59Å; V120-F155 PolarHBondContact O-N 2.99Å; V153-F155 HydrophobicContact CG1-CE2 4.13Å; F155-L157 HydrophobicContact CB-CD1 4.17Å; F155-M169 HydrophobicContact CB-SD 4.43Å; F155-M169 HydrophobicContact CD1-SD 4.47Å; F155-M169 HydrophobicContact CG-SD 4.39Å; F155-L172 HydrophobicContact CE1-CD2 4.11Å; F155-L172 HydrophobicContact CE2-CD2 4.06Å; F155-L172 HydrophobicContact CE2-CG 4.09Å; F155-L172 HydrophobicContact CZ-CD2 3.66Å; F155-L172 HydrophobicContact CZ-CG 4.04Å; F155-I176 HydrophobicContact CE2-CD1 4.3Å; F155-I176 HydrophobicContact CZ-CD1 3.95Å
156	A	70.3	Confident	64.8	Low	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	127.6	171.7	0	0	0	0	0	109.4	P33 I34 S35 V117 F119	P33-A156 CarbonylContact C-O 3.58Å; P33-A156 VanDerWaalsContact CA-O 3.3Å; P33-A156 WeakPolarHBondContact CA-O 3.37Å; P33-A156 VanDerWaalsContact CB-O 3.3Å; P33-A156 WeakPolarHBondContact CB-O 3.41Å; I34-A156 PolarHBondContact N-O 2.83Å; S35-A156 PolarHBondContact N-O 3.15Å; S35-A156 PolarHBondContact O-N 3.25Å; S35-A156 VanDerWaalsContact OG-CB 3.25Å; S35-A156 WeakPolarHBondContact OG-CB 3.11Å; V117-A156 HydrophobicContact CG1-CB 3.85Å; F119-A156 HydrophobicContact CD1-CB 3.82Å; F119-A156 HydrophobicContact CE1-CB 3.75Å
157	L	71.8	Confident	65.8	Low	0 Å²	0	31.6 Å²	31.6	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	161.9	177.9	-70.9	100.5	0	0	0	110.7	P33 V117 R118 V120 F155 A161 V165 M169	P33-L157 HydrophobicContact CB-CG 4.32Å; V117-L157 CarbonylContact C-O 3.21Å; V117-L157 VanDerWaalsContact CA-O 3.3Å; V117-L157 WeakPolarHBondContact CA-O 3.5Å; R118-L157 PolarHBondContact N-O 3.32Å; R118-L157 PolarHBondContact O-N 2.97Å; V120-L157 HydrophobicContact CB-CD1 4.18Å; V120-L157 HydrophobicContact CG2-CD1 3.82Å; F155-L157 HydrophobicContact CB-CD1 4.17Å; L157-A161 HydrophobicContact CB-CB 4.5Å; L157-A161 HydrophobicContact CD2-CB 4.29Å; L157-V165 HydrophobicContact CD2-CG1 3.89Å; L157-M169 HydrophobicContact CD1-CB 4.07Å; L157-M169 HydrophobicContact CD1-CG 3.73Å; L157-M169 HydrophobicContact CD2-CG 3.71Å; L157-M169 HydrophobicContact CG-CG 4.26Å
158	R	65.1	Low	66.8	Low	84 Å²	84	29.7 Å²	29.7	32%	0.317	17%	0.168	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	144	169.3	-71.9	-176.7	171.6	-177.3	-7	110	I34 D85 N116 N160 A161	I34-R158 HydrophobicContact CD1-CB 4.34Å; I34-R158 HydrophobicContact CD1-CG 3.46Å; I34-R158 VanDerWaalsContact CD1-CG 3.46Å; I34-R158 HydrophobicContact CG1-CG 3.8Å; D85-R158 IonicContact OD1-NH2 3.16Å; D85-R158 PolarHBondContact OD1-NH2 2.85Å; D85-R158 VanDerWaalsContact OD1-NH2 3.16Å; N116-R158 CarbonylContact O-C 3.54Å; N116-R158 WeakPolarHBondContact O-CA 3.43Å; R158-N160 PolarHBondContact O-N 3.16Å; R158-A161 WeakPolarHBondContact O-CB 3.1Å; R158-A161 PolarHBondContact O-N 2.87Å; R158-A161 VanDerWaalsContact O-N 3.16Å
159	A	61	Low	67.4	Low	14 Å²	14	29.3 Å²	29.3	12%	0.116	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-18	-176	0	0	0	0	0	114.9	K113 N116	K113-A159 HydrophobicContact CD-CB 4.4Å; N116-A159 WeakPolarHBondContact O-CB 3.44Å; N116-A159 PolarHBondContact O-N 2.8Å
160	N	58.2	Low	67.9	Low	127 Å²	127	26.9 Å²	26.9	68%	0.679	15%	0.153	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	16.3	-178.6	-60	-6.7	0	0	0	113	R158	R158-N160 PolarHBondContact O-N 3.16Å
161	A	60.9	Low	68.1	Low	10 Å²	10	29 Å²	29	8%	0.083	16%	0.164	C	C	.	.			trans	-77	142.5	178.4	0	0	0	0	0	111.7	L157 R158 I166	L157-A161 HydrophobicContact CB-CB 4.5Å; L157-A161 HydrophobicContact CD2-CB 4.29Å; R158-A161 WeakPolarHBondContact O-CB 3.1Å; R158-A161 PolarHBondContact O-N 2.87Å; R158-A161 VanDerWaalsContact O-N 3.16Å; A161-I166 HydrophobicContact CB-CG1 4.42Å
162	D	62.8	Low	68.2	Low	72 Å²	72	28.8 Å²	28.8	39%	0.385	16%	0.164	S	C	.	.			trans	-60.2	142.8	179.4	-67.3	-64.6	0	0	0	112.3	S164 V165 I166	D162-S164 PolarHBondContact O-N 3Å; D162-V165 HydrophobicContact CB-CG2 4.21Å; D162-V165 WeakPolarHBondContact O-CB 3.3Å; D162-V165 PolarHBondContact O-N 3.08Å; D162-I166 PolarHBondContact O-N 3Å; D162-I166 VanDerWaalsContact O-N 3.11Å
163	P	64.9	Low	68.5	Low	101 Å²	101	28.6 Å²	28.6	66%	0.656	16%	0.163	S	C	*	.	H	α-helix	trans	-53.6	-30.9	178.1	-26.4	34.1	0	0	0	113.8	I166 S167	P163-I166 PolarHBondContact O-N 3.04Å; P163-S167 WeakPolarHBondContact O-CB 3.35Å; P163-S167 PolarHBondContact O-N 3.48Å
164	S	66.3	Low	68.7	Low	37 Å²	37	34.4 Å²	34.4	26%	0.259	18%	0.184	S	C	.	.	H	α-helix	trans	-70.9	-38.2	178.5	58.8	0	0	0	0	112.6	D162 S167 C168 H260	D162-S164 PolarHBondContact O-N 3Å; S164-S167 PolarHBondContact O-N 2.56Å; S164-C168 WeakPolarHBondContact O-CB 3.31Å; S164-C168 PolarHBondContact O-N 3.29Å; S164-H260 VanDerWaalsContact C-CE1 3.4Å; S164-H260 WeakPolarHBondContact CB-NE2 3.39Å; S164-H260 PolarHBondContact O-CE1 2.74Å; S164-H260 PolarHBondContact OG-NE2 2.86Å
165	V	68.7	Low	68.7	Low	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-66.7	-41.9	172.8	178.1	0	0	0	0	110	T31 L157 D162 C168 M169 L258 H260	T31-V165 HydrophobicContact CG2-CG2 4Å; L157-V165 HydrophobicContact CD2-CG1 3.89Å; D162-V165 HydrophobicContact CB-CG2 4.21Å; D162-V165 WeakPolarHBondContact O-CB 3.3Å; D162-V165 PolarHBondContact O-N 3.08Å; V165-C168 VanDerWaalsContact O-CB 3.32Å; V165-C168 WeakPolarHBondContact O-CB 3.23Å; V165-C168 PolarHBondContact O-N 3.17Å; V165-M169 HydrophobicContact CG1-CG 4.49Å; V165-M169 WeakPolarHBondContact O-CG 3.14Å; V165-M169 PolarHBondContact O-N 2.8Å; V165-L258 HydrophobicContact CG1-CD2 4.4Å; V165-H260 HydrophobicContact CG2-CB 4.16Å
166	I	70.2	Confident	68.9	Low	5 Å²	5	39.4 Å²	39.4	3%	0.026	20%	0.204	C	C	.	.	H	α-helix	trans	-61.6	-45.4	176.2	-68.1	161.8	0	0	0	111.2	E111 V120 A161 D162 P163 C168 M169 H170	E111-I166 WeakPolarHBondContact OE1-CG2 3.35Å; V120-I166 HydrophobicContact CG1-CG2 4.29Å; V120-I166 HydrophobicContact CG2-CG2 3.78Å; A161-I166 HydrophobicContact CB-CG1 4.42Å; D162-I166 PolarHBondContact O-N 3Å; D162-I166 VanDerWaalsContact O-N 3.11Å; P163-I166 PolarHBondContact O-N 3.04Å; I166-C168 VanDerWaalsContact C-N 3.28Å; I166-C168 PolarHBondContact O-N 2.94Å; I166-M169 PolarHBondContact O-N 2.8Å; I166-H170 PolarHBondContact O-N 3.13Å
167	S	68.6	Low	69.1	Low	56 Å²	56	39.4 Å²	39.4	39%	0.392	20%	0.204	S	C	.	.	H	α-helix	trans	-60.8	-39.3	174.7	-174.9	0	0	0	0	111.6	P163 S164 H170 N171	P163-S167 WeakPolarHBondContact O-CB 3.35Å; P163-S167 PolarHBondContact O-N 3.48Å; S164-S167 PolarHBondContact O-N 2.56Å; S167-H170 PolarHBondContact O-N 2.87Å; S167-N171 PolarHBondContact O-N 2.97Å; S167-N171 PolarHBondContact O-ND2 3.3Å
168	C	68.5	Low	69.2	Low	11 Å²	11	43.4 Å²	43.4	7%	0.074	22%	0.224	C	C	.	.	H	α-helix	trans	-63.8	-47.5	176.3	-155.4	0	0	0	0	111.5	S164 V165 I166 H170 N171 L172 F256 L258	S164-C168 WeakPolarHBondContact O-CB 3.31Å; S164-C168 PolarHBondContact O-N 3.29Å; V165-C168 VanDerWaalsContact O-CB 3.32Å; V165-C168 WeakPolarHBondContact O-CB 3.23Å; V165-C168 PolarHBondContact O-N 3.17Å; I166-C168 VanDerWaalsContact C-N 3.28Å; I166-C168 PolarHBondContact O-N 2.94Å; C168-H170 VanDerWaalsContact C-N 3.29Å; C168-H170 PolarHBondContact O-N 2.91Å; C168-N171 PolarHBondContact O-N 3.48Å; C168-N171 VanDerWaalsContact O-N 3.13Å; C168-L172 PolarHBondContact O-N 3.44Å; C168-F256 HydrophobicContact CB-CZ 4.39Å; C168-F256 WeakPolarHBondContact O-CZ 3.39Å; C168-F256 VanDerWaalsContact SG-CE1 3.5Å; C168-F256 WeakPolarHBondContact SG-CZ 3.46Å; C168-L258 HydrophobicContact CB-CD2 4.12Å
169	M	70.4	Confident	69.6	Low	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-38.5	175.2	-68.4	-67.3	95.5	0	0	112.6	V120 F155 L157 V165 I166 L172 S173 L238 L258	V120-M169 HydrophobicContact CG1-CB 4.3Å; F155-M169 HydrophobicContact CB-SD 4.43Å; F155-M169 HydrophobicContact CD1-SD 4.47Å; F155-M169 HydrophobicContact CG-SD 4.39Å; L157-M169 HydrophobicContact CD1-CB 4.07Å; L157-M169 HydrophobicContact CD1-CG 3.73Å; L157-M169 HydrophobicContact CD2-CG 3.71Å; L157-M169 HydrophobicContact CG-CG 4.26Å; V165-M169 HydrophobicContact CG1-CG 4.49Å; V165-M169 WeakPolarHBondContact O-CG 3.14Å; V165-M169 PolarHBondContact O-N 2.8Å; I166-M169 PolarHBondContact O-N 2.8Å; M169-L172 HydrophobicContact CE-CD2 4.14Å; M169-L172 PolarHBondContact O-N 2.94Å; M169-S173 WeakPolarHBondContact O-CB 3.33Å; M169-S173 PolarHBondContact O-N 3.34Å; M169-S173 PolarHBondContact O-OG 3.01Å; M169-L238 HydrophobicContact CE-CD1 3.68Å; M169-L238 HydrophobicContact CE-CD2 3.86Å; M169-L238 HydrophobicContact CE-CG 4.21Å; M169-L238 HydrophobicContact SD-CD2 3.78Å; M169-L258 HydrophobicContact CE-CD1 3.47Å; M169-L258 VanDerWaalsContact CE-CD1 3.47Å; M169-L258 HydrophobicContact CE-CD2 3.45Å; M169-L258 VanDerWaalsContact CE-CD2 3.45Å; M169-L258 HydrophobicContact CE-CG 3.83Å
170	H	72.7	Confident	70.2	Confident	23 Å²	23	39 Å²	39	11%	0.106	21%	0.206	C	C	.	.	H	α-helix	trans	-62.2	-47.6	173.5	174.9	-109.6	0	0	0	111.4	K109 V120 G121 H122 I166 S167 C168 L172 S173 R174	K109-H170 VanDerWaalsContact CA-NE2 3.33Å; K109-H170 WeakPolarHBondContact CA-NE2 3.34Å; K109-H170 HydrophobicContact CG-CB 4.29Å; V120-H170 HydrophobicContact CG1-CB 3.74Å; G121-H170 PolarHBondContact O-CD2 2.83Å; H122-H170 AromaticContact ND1-NE2 3.5Å; H122-H170 PolarHBondContact ND1-NE2 3.23Å; I166-H170 PolarHBondContact O-N 3.13Å; S167-H170 PolarHBondContact O-N 2.87Å; C168-H170 VanDerWaalsContact C-N 3.29Å; C168-H170 PolarHBondContact O-N 2.91Å; H170-L172 VanDerWaalsContact C-N 3.32Å; H170-L172 PolarHBondContact O-N 3.15Å; H170-S173 PolarHBondContact O-N 2.85Å; H170-S173 PolarHBondContact O-OG 3.43Å; H170-R174 WeakPolarHBondContact O-CB 2.94Å; H170-R174 PolarHBondContact O-N 3.38Å
171	N	73.5	Confident	70.8	Confident	60 Å²	60	35 Å²	35	32%	0.321	18%	0.183	S	C	.	.	H	α-helix	trans	-60.9	-39.5	176.8	-79.1	-68.6	0	0	0	112.5	S167 C168 R174 R175 F256	S167-N171 PolarHBondContact O-N 2.97Å; S167-N171 PolarHBondContact O-ND2 3.3Å; C168-N171 PolarHBondContact O-N 3.48Å; C168-N171 VanDerWaalsContact O-N 3.13Å; N171-R174 PolarHBondContact O-N 2.66Å; N171-R175 WeakPolarHBondContact O-CG 3.3Å; N171-R175 PolarHBondContact O-N 2.9Å; N171-F256 HydrophobicContact CB-CE2 3.89Å; N171-F256 HydrophobicContact CB-CZ 4.21Å
172	L	73.4	Confident	71.3	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-59.9	-52.1	172.7	176.9	61.7	0	0	0	111.1	F155 C168 M169 H170 R174 R175 I176 L238 V244 F256	F155-L172 HydrophobicContact CE1-CD2 4.11Å; F155-L172 HydrophobicContact CE2-CD2 4.06Å; F155-L172 HydrophobicContact CE2-CG 4.09Å; F155-L172 HydrophobicContact CZ-CD2 3.66Å; F155-L172 HydrophobicContact CZ-CG 4.04Å; C168-L172 PolarHBondContact O-N 3.44Å; M169-L172 HydrophobicContact CE-CD2 4.14Å; M169-L172 PolarHBondContact O-N 2.94Å; H170-L172 VanDerWaalsContact C-N 3.32Å; H170-L172 PolarHBondContact O-N 3.15Å; L172-R174 PolarHBondContact O-N 2.93Å; L172-R175 PolarHBondContact O-N 3.12Å; L172-R175 VanDerWaalsContact O-N 3.14Å; L172-I176 HydrophobicContact CD1-CD1 3.8Å; L172-I176 HydrophobicContact CD1-CG1 4.14Å; L172-I176 HydrophobicContact CG-CD1 3.88Å; L172-I176 WeakPolarHBondContact O-CG1 3.15Å; L172-I176 PolarHBondContact O-N 3.31Å; L172-L238 HydrophobicContact CD2-CD1 3.63Å; L172-V244 HydrophobicContact CD1-CG1 4.33Å; L172-F256 HydrophobicContact CB-CD1 3.76Å; L172-F256 HydrophobicContact CB-CD2 4.21Å; L172-F256 HydrophobicContact CB-CE1 3.66Å; L172-F256 HydrophobicContact CB-CE2 4.13Å; L172-F256 HydrophobicContact CB-CG 4.03Å; L172-F256 HydrophobicContact CB-CZ 3.86Å; L172-F256 HydrophobicContact CD1-CB 3.52Å; L172-F256 HydrophobicContact CD1-CD1 3.64Å; L172-F256 HydrophobicContact CD1-CD2 4.24Å; L172-F256 HydrophobicContact CD1-CE1 4.43Å; L172-F256 HydrophobicContact CD1-CG 3.51Å; L172-F256 HydrophobicContact CD2-CD1 4.21Å; L172-F256 HydrophobicContact CG-CD1 4.07Å; L172-F256 HydrophobicContact CG-CE1 4.41Å; L172-F256 HydrophobicContact CG-CG 4.3Å
173	S	74.7	Confident	71.6	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.1	-38.5	178.7	72.7	0	0	0	0	112	H122 M169 H170 A177	H122-S173 PolarHBondContact N-OG 2.82Å; M169-S173 WeakPolarHBondContact O-CB 3.33Å; M169-S173 PolarHBondContact O-N 3.34Å; M169-S173 PolarHBondContact O-OG 3.01Å; H170-S173 PolarHBondContact O-N 2.85Å; H170-S173 PolarHBondContact O-OG 3.43Å; S173-A177 WeakPolarHBondContact O-CB 3.44Å; S173-A177 PolarHBondContact O-N 3Å
174	R	76.2	Confident	71.9	Confident	121 Å²	121	30.8 Å²	30.8	46%	0.457	15%	0.15	S	C	.	.	H	α-helix	trans	-65.7	-45.3	175.8	-179.5	175.4	-177.5	-136.7	-0.1	111.9	H122 H170 N171 L172 A177 I178	H122-R174 HydrophobicContact CB-CB 4.19Å; H170-R174 WeakPolarHBondContact O-CB 2.94Å; H170-R174 PolarHBondContact O-N 3.38Å; N171-R174 PolarHBondContact O-N 2.66Å; L172-R174 PolarHBondContact O-N 2.93Å; R174-A177 PolarHBondContact O-N 2.95Å; R174-I178 HydrophobicContact CG-CD1 3.92Å; R174-I178 VanDerWaalsContact O-CG1 3.29Å; R174-I178 WeakPolarHBondContact O-CG1 3.46Å; R174-I178 PolarHBondContact O-N 2.85Å
175	R	73	Confident	72.1	Confident	105 Å²	105	36.5 Å²	36.5	40%	0.396	17%	0.166	S	C	.	.	H	α-helix	trans	-63.8	-45.8	177.8	-72.9	-170.8	-170.2	-177.6	0.3	111.8	N171 L172 A177 I178 A179 V254 S255	N171-R175 WeakPolarHBondContact O-CG 3.3Å; N171-R175 PolarHBondContact O-N 2.9Å; L172-R175 PolarHBondContact O-N 3.12Å; L172-R175 VanDerWaalsContact O-N 3.14Å; R175-A177 VanDerWaalsContact C-N 3.28Å; R175-A177 PolarHBondContact O-N 3.45Å; R175-I178 PolarHBondContact O-N 3.18Å; R175-A179 VanDerWaalsContact O-CB 3.31Å; R175-A179 WeakPolarHBondContact O-CB 3.09Å; R175-A179 PolarHBondContact O-N 2.65Å; R175-V254 HydrophobicContact CB-CG1 3.95Å; R175-S255 PolarHBondContact NH1-O 3.34Å
176	I	75.9	Confident	72	Confident	2 Å²	2	41.1 Å²	41.1	1%	0.01	18%	0.183	C	C	.	.	H	α-helix	trans	-59.8	-43.1	175.1	-65.3	171.4	0	0	0	109.8	V153 F155 L172 A179 L180 L246 V254	V153-I176 HydrophobicContact CG1-CG2 4.49Å; V153-I176 HydrophobicContact CG2-CG2 4.28Å; F155-I176 HydrophobicContact CE2-CD1 4.3Å; F155-I176 HydrophobicContact CZ-CD1 3.95Å; L172-I176 HydrophobicContact CD1-CD1 3.8Å; L172-I176 HydrophobicContact CD1-CG1 4.14Å; L172-I176 HydrophobicContact CG-CD1 3.88Å; L172-I176 WeakPolarHBondContact O-CG1 3.15Å; L172-I176 PolarHBondContact O-N 3.31Å; I176-A179 WeakPolarHBondContact O-CB 3.44Å; I176-A179 PolarHBondContact O-N 3.35Å; I176-L180 HydrophobicContact CG2-CD1 3.85Å; I176-L180 HydrophobicContact CG2-CG 4.25Å; I176-L180 WeakPolarHBondContact O-CB 3.35Å; I176-L180 VanDerWaalsContact O-CG 3.29Å; I176-L180 WeakPolarHBondContact O-CG 3.26Å; I176-L180 PolarHBondContact O-N 3.48Å; I176-L246 HydrophobicContact CD1-CD1 4.24Å; I176-L246 HydrophobicContact CG1-CD1 4.48Å; I176-V254 HydrophobicContact CG1-CG1 4.43Å
177	A	74.2	Confident	71.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-66.6	-40.7	-179.7	0	0	0	0	0	113.3	T124 F151 S173 R174 R175 A179 L180 Q181	T124-A177 VanDerWaalsContact OG1-CB 3.24Å; T124-A177 WeakPolarHBondContact OG1-CB 3.3Å; F151-A177 HydrophobicContact CE2-CB 4.09Å; F151-A177 HydrophobicContact CZ-CB 4.34Å; F151-A177 WeakPolarHBondContact CZ-O 3.47Å; S173-A177 WeakPolarHBondContact O-CB 3.44Å; S173-A177 PolarHBondContact O-N 3Å; R174-A177 PolarHBondContact O-N 2.95Å; R175-A177 VanDerWaalsContact C-N 3.28Å; R175-A177 PolarHBondContact O-N 3.45Å; A177-A179 VanDerWaalsContact C-N 3.32Å; A177-A179 PolarHBondContact O-N 2.91Å; A177-L180 PolarHBondContact O-N 2.85Å; A177-Q181 WeakPolarHBondContact O-CB 3.47Å; A177-Q181 PolarHBondContact O-N 3.48Å
178	I	74.5	Confident	71.6	Confident	84 Å²	84	45.1 Å²	45.1	43%	0.431	20%	0.2	S	C	.	.	H	α-helix	trans	-62.8	-42.5	173.7	-67.4	164.8	0	0	0	110.4	R174 R175 Q181 H182	R174-I178 HydrophobicContact CG-CD1 3.92Å; R174-I178 VanDerWaalsContact O-CG1 3.29Å; R174-I178 WeakPolarHBondContact O-CG1 3.46Å; R174-I178 PolarHBondContact O-N 2.85Å; R175-I178 PolarHBondContact O-N 3.18Å; I178-Q181 WeakPolarHBondContact O-CB 3.37Å; I178-Q181 PolarHBondContact O-N 3.07Å; I178-H182 PolarHBondContact O-N 2.91Å
179	A	72.9	Confident	71.6	Confident	5 Å²	5	45.3 Å²	45.3	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-61.8	-46.3	177.7	0	0	0	0	0	112.1	R175 I176 A177 Q181 H182 E183 I248 L252 V254	R175-A179 VanDerWaalsContact O-CB 3.31Å; R175-A179 WeakPolarHBondContact O-CB 3.09Å; R175-A179 PolarHBondContact O-N 2.65Å; I176-A179 WeakPolarHBondContact O-CB 3.44Å; I176-A179 PolarHBondContact O-N 3.35Å; A177-A179 VanDerWaalsContact C-N 3.32Å; A177-A179 PolarHBondContact O-N 2.91Å; A179-Q181 VanDerWaalsContact C-N 3.33Å; A179-Q181 PolarHBondContact O-N 2.81Å; A179-H182 PolarHBondContact O-N 3.28Å; A179-E183 PolarHBondContact O-N 2.88Å; A179-I248 HydrophobicContact CB-CD1 3.84Å; A179-L252 VanDerWaalsContact CA-CD2 3.49Å; A179-L252 HydrophobicContact CB-CD2 3.41Å; A179-L252 VanDerWaalsContact CB-CD2 3.41Å; A179-L252 HydrophobicContact CB-CG 4.4Å; A179-V254 HydrophobicContact CB-CG2 3.36Å
180	L	72.6	Confident	71.5	Confident	1 Å²	1	45.3 Å²	45.3	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-64.3	-36	174.2	-69.5	174.6	0	0	0	112.3	F151 V153 I176 A177 H182 E183 E184 L227 I248	F151-L180 HydrophobicContact CE2-CB 3.9Å; F151-L180 HydrophobicContact CE2-CD1 3.93Å; F151-L180 HydrophobicContact CZ-CB 3.9Å; V153-L180 HydrophobicContact CG2-CD1 4.07Å; I176-L180 HydrophobicContact CG2-CD1 3.85Å; I176-L180 HydrophobicContact CG2-CG 4.25Å; I176-L180 WeakPolarHBondContact O-CB 3.35Å; I176-L180 VanDerWaalsContact O-CG 3.29Å; I176-L180 WeakPolarHBondContact O-CG 3.26Å; I176-L180 PolarHBondContact O-N 3.48Å; A177-L180 PolarHBondContact O-N 2.85Å; L180-H182 VanDerWaalsContact C-N 3.34Å; L180-E183 PolarHBondContact O-N 2.86Å; L180-E184 WeakPolarHBondContact O-CB 3.34Å; L180-E184 PolarHBondContact O-N 3.1Å; L180-L227 HydrophobicContact CD1-CD1 4.45Å; L180-L227 HydrophobicContact CD2-CD1 3.68Å; L180-I248 HydrophobicContact CD2-CD1 4.27Å; L180-I248 HydrophobicContact CD2-CG2 4.27Å; L180-I248 HydrophobicContact CG-CD1 4.43Å
181	Q	71.4	Confident	71.3	Confident	43 Å²	43	44.8 Å²	44.8	20%	0.201	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-39.5	175.4	-170.5	-176.5	36.9	0	0	111.6	L125 A177 I178 A179 R185	L125-Q181 PolarHBondContact O-NE2 2.9Å; A177-Q181 WeakPolarHBondContact O-CB 3.47Å; A177-Q181 PolarHBondContact O-N 3.48Å; I178-Q181 WeakPolarHBondContact O-CB 3.37Å; I178-Q181 PolarHBondContact O-N 3.07Å; A179-Q181 VanDerWaalsContact C-N 3.33Å; A179-Q181 PolarHBondContact O-N 2.81Å; Q181-R185 WeakPolarHBondContact O-CG 3.32Å; Q181-R185 PolarHBondContact O-N 3.06Å; Q181-R185 VanDerWaalsContact O-N 3.08Å
182	H	70.9	Confident	71.1	Confident	91 Å²	91	50 Å²	50	42%	0.421	21%	0.213	S	C	.	.	H	α-helix	trans	-66.9	-45.7	175.7	-174.7	-89.4	0	0	0	111.6	I178 A179 L180 E184 R185 R186	I178-H182 PolarHBondContact O-N 2.91Å; A179-H182 PolarHBondContact O-N 3.28Å; L180-H182 VanDerWaalsContact C-N 3.34Å; H182-E184 VanDerWaalsContact C-N 3.29Å; H182-E184 PolarHBondContact O-N 3.11Å; H182-R185 PolarHBondContact O-N 3.29Å; H182-R186 WeakPolarHBondContact O-CB 3.35Å; H182-R186 PolarHBondContact O-N 2.96Å
183	E	69.9	Low	70.8	Confident	0 Å²	0	51 Å²	51	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-62.9	-34.8	176	-79.1	-63.6	111.1	0	0	112.5	A179 L180 R186 C187 Q188 Y189 I248 N249	A179-E183 PolarHBondContact O-N 2.88Å; L180-E183 PolarHBondContact O-N 2.86Å; E183-R186 PolarHBondContact O-N 3.03Å; E183-R186 IonicContact OE1-NH1 2.81Å; E183-C187 PolarHBondContact O-N 2.88Å; E183-Q188 PolarHBondContact O-N 3.44Å; E183-Y189 HydrophobicContact CB-CD1 4.47Å; E183-I248 HydrophobicContact CG-CG2 4.11Å; E183-N249 PolarHBondContact OE2-ND2 3.05Å
184	E	72	Confident	70.5	Confident	3 Å²	3	51.3 Å²	51.3	1%	0.014	22%	0.221	C	C	.	.	H	α-helix	trans	-68.4	-42.8	175.1	-174.3	62.7	-166	0	0	112.1	L126 L180 H182 R186 Q188 Y189 L190 T191	L126-E184 HydrophobicContact CD1-CB 4.26Å; L126-E184 HydrophobicContact CD1-CG 3.66Å; L126-E184 HydrophobicContact CD2-CB 4.1Å; L126-E184 HydrophobicContact CD2-CG 3.27Å; L126-E184 HydrophobicContact CG-CG 3.97Å; L180-E184 WeakPolarHBondContact O-CB 3.34Å; L180-E184 PolarHBondContact O-N 3.1Å; H182-E184 VanDerWaalsContact C-N 3.29Å; H182-E184 PolarHBondContact O-N 3.11Å; E184-R186 PolarHBondContact O-N 2.72Å; E184-Q188 WeakPolarHBondContact O-CA 3.49Å; E184-Q188 PolarHBondContact O-N 2.82Å; E184-Q188 VanDerWaalsContact OE2-CA 3.25Å; E184-Q188 WeakPolarHBondContact OE2-CA 3.41Å; E184-Y189 PolarHBondContact OE2-N 3.48Å; E184-L190 HydrophobicContact CB-CB 4.45Å; E184-L190 WeakPolarHBondContact OE2-CA 3.15Å; E184-L190 WeakPolarHBondContact OE2-CB 3.48Å; E184-L190 PolarHBondContact OE2-N 2.96Å; E184-T191 VanDerWaalsContact OE1-CB 3.31Å; E184-T191 WeakPolarHBondContact OE1-CB 3.4Å; E184-T191 PolarHBondContact OE1-OG1 3.08Å; E184-T191 PolarHBondContact OE2-N 3.27Å
185	R	68.8	Low	70.2	Confident	157 Å²	157	49.5 Å²	49.5	59%	0.592	22%	0.216	S	C	*	.	H	α-helix	trans	-60.7	-31.6	174.2	-74.8	179	-173.8	162	5.6	112.4	Q181 H182	Q181-R185 WeakPolarHBondContact O-CG 3.32Å; Q181-R185 PolarHBondContact O-N 3.06Å; Q181-R185 VanDerWaalsContact O-N 3.08Å; H182-R185 PolarHBondContact O-N 3.29Å
186	R	67.2	Low	70.1	Confident	96 Å²	96	47.7 Å²	47.7	36%	0.362	21%	0.214	S	C	.	.	H	α-helix	trans	-91.1	-44.1	-171.3	-172.3	156.1	168.2	-86.7	-41.5	113.9	H182 E183 E184 W251	H182-R186 WeakPolarHBondContact O-CB 3.35Å; H182-R186 PolarHBondContact O-N 2.96Å; E183-R186 PolarHBondContact O-N 3.03Å; E183-R186 IonicContact OE1-NH1 2.81Å; E184-R186 PolarHBondContact O-N 2.72Å; R186-W251 VanDerWaalsContact NH1-CZ2 3.32Å; R186-W251 VanDerWaalsContact NH1-CZ3 3.33Å
187	C	61.9	Low	69.7	Low	47 Å²	47	47.7 Å²	47.7	32%	0.318	21%	0.214	S	C	.	.	H	α-helix	trans	-132.5	2.2	-173.4	-68.3	0	0	0	0	114.4	E183 Y189 R192	E183-C187 PolarHBondContact O-N 2.88Å; C187-Y189 PolarHBondContact O-N 3.2Å; C187-R192 PolarHBondContact O-NE 3.36Å
188	Q	68.7	Low	69.4	Low	98 Å²	98	48.9 Å²	48.9	46%	0.458	22%	0.22	S	C	.	.			trans	51.8	34.8	-170.2	-62.1	178	-21.8	0	0	112.1	E183 E184 L190 T191 R192	E183-Q188 PolarHBondContact O-N 3.44Å; E184-Q188 WeakPolarHBondContact O-CA 3.49Å; E184-Q188 PolarHBondContact O-N 2.82Å; E184-Q188 VanDerWaalsContact OE2-CA 3.25Å; E184-Q188 WeakPolarHBondContact OE2-CA 3.41Å; Q188-L190 VanDerWaalsContact C-N 3.33Å; Q188-L190 PolarHBondContact O-N 3.27Å; Q188-T191 PolarHBondContact O-N 3.44Å; Q188-R192 WeakPolarHBondContact O-CG 3.43Å; Q188-R192 PolarHBondContact O-N 3.18Å
189	Y	68	Low	69	Low	15 Å²	15	47.3 Å²	47.3	6%	0.059	22%	0.217	C	C	.	.	H	α-helix	trans	-61.8	-40.9	-172.5	175.1	-108.3	0	0	0	111.8	E183 E184 C187 R192 E193 K226 L227 I248	E183-Y189 HydrophobicContact CB-CD1 4.47Å; E184-Y189 PolarHBondContact OE2-N 3.48Å; C187-Y189 PolarHBondContact O-N 3.2Å; Y189-R192 PolarHBondContact O-N 3.13Å; Y189-E193 HydrophobicContact CD2-CG 4.16Å; Y189-E193 HydrophobicContact CE1-CG 4.2Å; Y189-E193 HydrophobicContact CE2-CG 3.77Å; Y189-E193 WeakPolarHBondContact O-CB 3.16Å; Y189-E193 WeakPolarHBondContact O-CG 3.11Å; Y189-E193 PolarHBondContact O-N 2.88Å; Y189-K226 WeakPolarHBondContact OH-CB 3.27Å; Y189-L227 HydrophobicContact CE1-CB 4.43Å; Y189-L227 PolarHBondContact OH-N 3.03Å; Y189-I248 HydrophobicContact CE1-CG2 4.2Å
190	L	68	Low	68.6	Low	1 Å²	1	47.7 Å²	47.7	1%	0.005	22%	0.218	C	C	.	.	H	α-helix	trans	-68	-40.6	178.5	-174.1	70.4	0	0	0	110.9	L126 M148 F151 E184 Q188 R192 A194 L227	L126-L190 HydrophobicContact CD1-CD2 3.76Å; M148-L190 HydrophobicContact CE-CD2 3.93Å; M148-L190 HydrophobicContact CE-CG 4.25Å; F151-L190 HydrophobicContact CB-CD2 4.19Å; F151-L190 HydrophobicContact CD1-CD2 3.75Å; F151-L190 HydrophobicContact CD2-CD2 4.11Å; F151-L190 HydrophobicContact CE1-CD2 4.05Å; F151-L190 HydrophobicContact CE2-CD2 4.41Å; F151-L190 HydrophobicContact CG-CD2 3.76Å; F151-L190 HydrophobicContact CZ-CD2 4.37Å; E184-L190 HydrophobicContact CB-CB 4.45Å; E184-L190 WeakPolarHBondContact OE2-CA 3.15Å; E184-L190 WeakPolarHBondContact OE2-CB 3.48Å; E184-L190 PolarHBondContact OE2-N 2.96Å; Q188-L190 VanDerWaalsContact C-N 3.33Å; Q188-L190 PolarHBondContact O-N 3.27Å; L190-R192 VanDerWaalsContact C-N 3.35Å; L190-R192 PolarHBondContact O-N 3.26Å; L190-A194 WeakPolarHBondContact O-CB 3.42Å; L190-A194 PolarHBondContact O-N 2.92Å; L190-L227 HydrophobicContact CD1-CD2 3.69Å
191	T	69.1	Low	68.1	Low	12 Å²	12	50 Å²	50	7%	0.074	23%	0.229	C	C	.	.	H	α-helix	trans	-64.9	-38	176.1	-66.7	0	0	0	0	112	E184 Q188 K195	E184-T191 VanDerWaalsContact OE1-CB 3.31Å; E184-T191 WeakPolarHBondContact OE1-CB 3.4Å; E184-T191 PolarHBondContact OE1-OG1 3.08Å; E184-T191 PolarHBondContact OE2-N 3.27Å; Q188-T191 PolarHBondContact O-N 3.44Å; T191-K195 HydrophobicContact CG2-CD 4.35Å; T191-K195 WeakPolarHBondContact O-CB 3.3Å; T191-K195 VanDerWaalsContact O-CG 3.3Å; T191-K195 WeakPolarHBondContact O-CG 3.28Å; T191-K195 PolarHBondContact O-N 3.43Å
192	R	68.9	Low	67.7	Low	169 Å²	169	51.6 Å²	51.6	64%	0.638	24%	0.238	S	C	*	.	H	α-helix	trans	-67.3	-49.5	176	-69.9	175.8	-166.6	-147.5	1.6	111.8	C187 Q188 Y189 L190 A194 K195 L196	C187-R192 PolarHBondContact O-NE 3.36Å; Q188-R192 WeakPolarHBondContact O-CG 3.43Å; Q188-R192 PolarHBondContact O-N 3.18Å; Y189-R192 PolarHBondContact O-N 3.13Å; L190-R192 VanDerWaalsContact C-N 3.35Å; L190-R192 PolarHBondContact O-N 3.26Å; R192-A194 VanDerWaalsContact C-N 3.35Å; R192-K195 PolarHBondContact O-N 2.87Å; R192-L196 WeakPolarHBondContact O-CB 3.39Å; R192-L196 PolarHBondContact O-N 3.31Å
193	E	67.7	Low	67.3	Low	22 Å²	22	52.1 Å²	52.1	10%	0.103	24%	0.241	C	C	.	.	H	α-helix	trans	-63.9	-39.5	177.7	-72.6	-72.5	157.5	0	0	111.2	Y189 L196 M197 C225 L227	Y189-E193 HydrophobicContact CD2-CG 4.16Å; Y189-E193 HydrophobicContact CE1-CG 4.2Å; Y189-E193 HydrophobicContact CE2-CG 3.77Å; Y189-E193 WeakPolarHBondContact O-CB 3.16Å; Y189-E193 WeakPolarHBondContact O-CG 3.11Å; Y189-E193 PolarHBondContact O-N 2.88Å; E193-L196 PolarHBondContact O-N 2.55Å; E193-M197 WeakPolarHBondContact O-CB 3.34Å; E193-M197 VanDerWaalsContact O-CG 3.3Å; E193-M197 WeakPolarHBondContact O-CG 3.26Å; E193-M197 PolarHBondContact O-N 2.96Å; E193-C225 VanDerWaalsContact OE2-CA 3.27Å; E193-C225 WeakPolarHBondContact OE2-CA 3.42Å; E193-C225 VanDerWaalsContact OE2-CB 3.23Å; E193-C225 WeakPolarHBondContact OE2-CB 3.41Å; E193-C225 PolarHBondContact OE2-SG 3.47Å; E193-C225 VanDerWaalsContact OE2-SG 3.35Å; E193-L227 HydrophobicContact CG-CB 4.35Å
194	A	68.3	Low	66.7	Low	6 Å²	6	52.9 Å²	52.9	5%	0.05	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-40.8	176.1	0	0	0	0	0	112.3	L49 M148 L190 R192 L196 M197 L198	L49-A194 HydrophobicContact CD1-CB 3.99Å; M148-A194 HydrophobicContact SD-CB 4.03Å; L190-A194 WeakPolarHBondContact O-CB 3.42Å; L190-A194 PolarHBondContact O-N 2.92Å; R192-A194 VanDerWaalsContact C-N 3.35Å; A194-L196 VanDerWaalsContact C-N 3.32Å; A194-M197 PolarHBondContact O-N 3.32Å; A194-L198 WeakPolarHBondContact O-CB 3.21Å; A194-L198 WeakPolarHBondContact O-CG 3.35Å; A194-L198 PolarHBondContact O-N 3.21Å
195	K	70.6	Confident	66	Low	82 Å²	82	56.2 Å²	56.2	36%	0.357	27%	0.266	S	S	.	.	H	α-helix	trans	-62.4	-41.3	173.5	-78.2	175.9	-179.4	178.7	0	111.6	E144 T191 R192 L198 S199	E144-K195 IonicContact OE2-NZ 2.59Å; E144-K195 PolarHBondContact OE2-NZ 3.22Å; T191-K195 HydrophobicContact CG2-CD 4.35Å; T191-K195 WeakPolarHBondContact O-CB 3.3Å; T191-K195 VanDerWaalsContact O-CG 3.3Å; T191-K195 WeakPolarHBondContact O-CG 3.28Å; T191-K195 PolarHBondContact O-N 3.43Å; R192-K195 PolarHBondContact O-N 2.87Å; K195-L198 PolarHBondContact O-N 2.79Å; K195-S199 WeakPolarHBondContact O-CB 3.45Å; K195-S199 PolarHBondContact O-N 3.09Å; K195-S199 PolarHBondContact O-OG 2.93Å
196	L	70.1	Confident	65.4	Low	68 Å²	68	52.8 Å²	52.8	36%	0.356	26%	0.262	S	S	.	.	H	α-helix	trans	-67.7	-40.3	177.4	-165.2	148.7	0	0	0	111.6	R192 E193 A194 S199 L200 K224 C225	R192-L196 WeakPolarHBondContact O-CB 3.39Å; R192-L196 PolarHBondContact O-N 3.31Å; E193-L196 PolarHBondContact O-N 2.55Å; A194-L196 VanDerWaalsContact C-N 3.32Å; L196-S199 WeakPolarHBondContact CA-OG 3.31Å; L196-S199 PolarHBondContact O-OG 3.31Å; L196-L200 HydrophobicContact CD2-CD1 3.51Å; L196-L200 HydrophobicContact CD2-CG 4.19Å; L196-L200 WeakPolarHBondContact O-CB 3.25Å; L196-L200 WeakPolarHBondContact O-CG 3.34Å; L196-L200 PolarHBondContact O-N 2.82Å; L196-K224 HydrophobicContact CD2-CB 4.34Å; L196-C225 WeakPolarHBondContact CD2-SG 3.39Å
197	M	67.3	Low	64.6	Low	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.268	C	S	.	.	H	α-helix	trans	-63.4	-43.5	173.2	-75.9	-177.5	169.2	0	0	111.8	L49 F50 E193 A194 L200 Q201 I221 C225 A228	L49-M197 HydrophobicContact CB-SD 4.18Å; F50-M197 HydrophobicContact CD2-CE 4.34Å; E193-M197 WeakPolarHBondContact O-CB 3.34Å; E193-M197 VanDerWaalsContact O-CG 3.3Å; E193-M197 WeakPolarHBondContact O-CG 3.26Å; E193-M197 PolarHBondContact O-N 2.96Å; A194-M197 PolarHBondContact O-N 3.32Å; M197-L200 PolarHBondContact O-N 3.18Å; M197-Q201 VanDerWaalsContact O-CB 3.23Å; M197-Q201 WeakPolarHBondContact O-CB 3.47Å; M197-Q201 PolarHBondContact O-N 2.89Å; M197-I221 HydrophobicContact CE-CG2 3.98Å; M197-I221 HydrophobicContact CG-CG2 4.12Å; M197-C225 HydrophobicContact CE-CB 3.72Å; M197-C225 WeakPolarHBondContact CG-SG 3.08Å; M197-A228 HydrophobicContact CE-CB 3.84Å
198	L	68.4	Low	64	Low	26 Å²	26	52.9 Å²	52.9	14%	0.136	27%	0.272	C	S	.	.	H	α-helix	trans	-67.7	-41.9	178.4	-72.2	171.3	0	0	0	111.8	K47 L49 A194 K195 L200 Q201 D202	K47-L198 HydrophobicContact CD-CD2 3.48Å; K47-L198 VanDerWaalsContact CD-CD2 3.48Å; L49-L198 HydrophobicContact CD2-CD2 4.05Å; L49-L198 HydrophobicContact CD2-CG 4.11Å; A194-L198 WeakPolarHBondContact O-CB 3.21Å; A194-L198 WeakPolarHBondContact O-CG 3.35Å; A194-L198 PolarHBondContact O-N 3.21Å; K195-L198 PolarHBondContact O-N 2.79Å; L198-L200 VanDerWaalsContact C-N 3.35Å; L198-Q201 PolarHBondContact O-N 2.88Å; L198-D202 WeakPolarHBondContact O-CB 3.46Å; L198-D202 PolarHBondContact O-N 3.37Å
199	S	67.1	Low	63.1	Low	51 Å²	51	56 Å²	56	36%	0.357	29%	0.287	S	S	.	.	H	α-helix	trans	-64.1	-42	176.3	66.2	0	0	0	0	111.3	K195 L196 D202 E203	K195-S199 WeakPolarHBondContact O-CB 3.45Å; K195-S199 PolarHBondContact O-N 3.09Å; K195-S199 PolarHBondContact O-OG 2.93Å; L196-S199 WeakPolarHBondContact CA-OG 3.31Å; L196-S199 PolarHBondContact O-OG 3.31Å; S199-D202 PolarHBondContact O-N 2.83Å; S199-E203 WeakPolarHBondContact O-CB 3.3Å; S199-E203 VanDerWaalsContact O-CG 3.25Å; S199-E203 WeakPolarHBondContact O-CG 3.3Å; S199-E203 PolarHBondContact O-N 3.05Å
200	L	62.8	Low	62.1	Low	13 Å²	13	60.5 Å²	60.5	7%	0.068	32%	0.316	C	S	.	.	H	α-helix	trans	-66.9	-37.4	175.1	-70.2	177.5	0	0	0	112	L196 M197 L198 E203 I204 I221 K224	L196-L200 HydrophobicContact CD2-CD1 3.51Å; L196-L200 HydrophobicContact CD2-CG 4.19Å; L196-L200 WeakPolarHBondContact O-CB 3.25Å; L196-L200 WeakPolarHBondContact O-CG 3.34Å; L196-L200 PolarHBondContact O-N 2.82Å; M197-L200 PolarHBondContact O-N 3.18Å; L198-L200 VanDerWaalsContact C-N 3.35Å; L200-E203 PolarHBondContact O-N 3.08Å; L200-I204 WeakPolarHBondContact O-CB 3.25Å; L200-I204 VanDerWaalsContact O-CD1 3.24Å; L200-I204 WeakPolarHBondContact O-CD1 3.39Å; L200-I204 WeakPolarHBondContact O-CG1 3.23Å; L200-I204 PolarHBondContact O-N 2.73Å; L200-I221 HydrophobicContact CB-CG1 4.46Å; L200-I221 HydrophobicContact CD1-CG1 4.47Å; L200-K224 HydrophobicContact CD1-CB 3.88Å; L200-K224 HydrophobicContact CD1-CD 3.65Å; L200-K224 HydrophobicContact CD1-CG 4.4Å; L200-K224 HydrophobicContact CD2-CD 3.8Å; L200-K224 HydrophobicContact CG-CD 4.41Å
201	Q	62.4	Low	60.6	Low	49 Å²	49	66.2 Å²	66.2	23%	0.229	35%	0.347	C	S	.	.	H	α-helix	trans	-67	-38.3	175.8	-171.7	174.4	16	0	0	111.6	M197 L198 I204 T205	M197-Q201 VanDerWaalsContact O-CB 3.23Å; M197-Q201 WeakPolarHBondContact O-CB 3.47Å; M197-Q201 PolarHBondContact O-N 2.89Å; L198-Q201 PolarHBondContact O-N 2.88Å; Q201-I204 PolarHBondContact O-N 3.34Å; Q201-T205 WeakPolarHBondContact O-CB 3.3Å; Q201-T205 PolarHBondContact O-N 2.81Å; Q201-T205 PolarHBondContact O-OG1 2.81Å
202	D	63.8	Low	59	Low	76 Å²	76	69.8 Å²	69.8	41%	0.406	39%	0.386	S	S	.	.	H	α-helix	trans	-70	-37.8	175.3	-67.1	-18.2	0	0	0	110.9	L198 S199 T205 T206	L198-D202 WeakPolarHBondContact O-CB 3.46Å; L198-D202 PolarHBondContact O-N 3.37Å; S199-D202 PolarHBondContact O-N 2.83Å; D202-T205 PolarHBondContact O-N 2.91Å; D202-T206 WeakPolarHBondContact O-CB 3.27Å; D202-T206 VanDerWaalsContact O-CG2 3.29Å; D202-T206 WeakPolarHBondContact O-CG2 3.5Å; D202-T206 PolarHBondContact O-N 3.45Å; D202-T206 PolarHBondContact O-OG1 3.14Å
203	E	62.6	Low	57.3	Low	103 Å²	103	65.8 Å²	65.8	48%	0.481	38%	0.38	S	S	.	.	H	α-helix	trans	-64.7	-37.8	171.1	-76.5	171.9	-161.6	0	0	112.4	S199 L200 T206 T207	S199-E203 WeakPolarHBondContact O-CB 3.3Å; S199-E203 VanDerWaalsContact O-CG 3.25Å; S199-E203 WeakPolarHBondContact O-CG 3.3Å; S199-E203 PolarHBondContact O-N 3.05Å; L200-E203 PolarHBondContact O-N 3.08Å; E203-T206 WeakPolarHBondContact CA-OG1 3.38Å; E203-T206 PolarHBondContact O-OG1 2.82Å; E203-T207 WeakPolarHBondContact O-CB 3.43Å; E203-T207 WeakPolarHBondContact O-CG2 3.21Å; E203-T207 PolarHBondContact O-N 2.88Å; E203-T207 PolarHBondContact O-OG1 2.79Å
204	I	57.5	Low	56	Low	15 Å²	15	71 Å²	71	8%	0.077	42%	0.416	C	S	.	.	H	α-helix	trans	-75.7	-38	178.5	-63.6	158.2	0	0	0	110.6	L200 Q201 T206 T207 T208 P217 Q220	L200-I204 WeakPolarHBondContact O-CB 3.25Å; L200-I204 VanDerWaalsContact O-CD1 3.24Å; L200-I204 WeakPolarHBondContact O-CD1 3.39Å; L200-I204 WeakPolarHBondContact O-CG1 3.23Å; L200-I204 PolarHBondContact O-N 2.73Å; Q201-I204 PolarHBondContact O-N 3.34Å; I204-T206 VanDerWaalsContact C-N 3.31Å; I204-T206 PolarHBondContact O-N 2.75Å; I204-T207 VanDerWaalsContact CA-OG1 3.27Å; I204-T207 WeakPolarHBondContact CA-OG1 3.2Å; I204-T207 PolarHBondContact O-N 3.29Å; I204-T207 PolarHBondContact O-OG1 2.74Å; I204-T207 VanDerWaalsContact O-OG1 3.13Å; I204-T208 HydrophobicContact CG2-CG2 4.08Å; I204-T208 WeakPolarHBondContact O-CB 3.03Å; I204-T208 VanDerWaalsContact O-CG2 3.3Å; I204-T208 WeakPolarHBondContact O-CG2 3.37Å; I204-T208 PolarHBondContact O-N 2.78Å; I204-T208 PolarHBondContact O-OG1 2.76Å; I204-T208 VanDerWaalsContact O-OG1 3.05Å; I204-P217 HydrophobicContact CB-CB 4.26Å; I204-P217 HydrophobicContact CD1-CB 3.89Å; I204-P217 WeakPolarHBondContact CD1-O 3.49Å; I204-P217 HydrophobicContact CG2-CB 3.74Å; I204-Q220 HydrophobicContact CD1-CB 4.37Å
205	T	56.8	Low	54.4	Low	73 Å²	73	76.8 Å²	76.8	45%	0.448	44%	0.442	S	S	.	.	H	α-helix	trans	-60.8	-44.1	174.2	-53.8	0	0	0	0	110.4	Q201 D202 T207 T208 E209	Q201-T205 WeakPolarHBondContact O-CB 3.3Å; Q201-T205 PolarHBondContact O-N 2.81Å; Q201-T205 PolarHBondContact O-OG1 2.81Å; D202-T205 PolarHBondContact O-N 2.91Å; T205-T207 PolarHBondContact O-N 3.2Å; T205-T208 PolarHBondContact O-OG1 2.74Å; T205-E209 PolarHBondContact O-N 3.13Å
206	T	55.7	Low	53.3	Low	85 Å²	85	74.5 Å²	74.5	52%	0.521	44%	0.437	S	S	.	.	H	α-helix	trans	-69.8	-28.5	177.7	50.5	0	0	0	0	113.7	D202 E203 I204 T210	D202-T206 WeakPolarHBondContact O-CB 3.27Å; D202-T206 VanDerWaalsContact O-CG2 3.29Å; D202-T206 WeakPolarHBondContact O-CG2 3.5Å; D202-T206 PolarHBondContact O-N 3.45Å; D202-T206 PolarHBondContact O-OG1 3.14Å; E203-T206 WeakPolarHBondContact CA-OG1 3.38Å; E203-T206 PolarHBondContact O-OG1 2.82Å; I204-T206 VanDerWaalsContact C-N 3.31Å; I204-T206 PolarHBondContact O-N 2.75Å; T206-T210 PolarHBondContact O-OG1 3.37Å
207	T	51.5	Low	52.4	Low	78 Å²	78	73.2 Å²	73.2	48%	0.479	43%	0.432	S	S	.	.	H	α-helix	trans	-84.7	-28	176	46.9	0	0	0	0	113.9	E203 I204 T205 E209 T210 D211	E203-T207 WeakPolarHBondContact O-CB 3.43Å; E203-T207 WeakPolarHBondContact O-CG2 3.21Å; E203-T207 PolarHBondContact O-N 2.88Å; E203-T207 PolarHBondContact O-OG1 2.79Å; I204-T207 VanDerWaalsContact CA-OG1 3.27Å; I204-T207 WeakPolarHBondContact CA-OG1 3.2Å; I204-T207 PolarHBondContact O-N 3.29Å; I204-T207 PolarHBondContact O-OG1 2.74Å; I204-T207 VanDerWaalsContact O-OG1 3.13Å; T205-T207 PolarHBondContact O-N 3.2Å; T207-E209 PolarHBondContact O-N 3.12Å; T207-T210 PolarHBondContact O-N 2.92Å; T207-T210 VanDerWaalsContact O-N 3.13Å; T207-T210 PolarHBondContact O-OG1 3.23Å; T207-D211 PolarHBondContact O-N 3.45Å; T207-D211 VanDerWaalsContact O-N 3.14Å
208	T	49.3	Very low	51.7	Low	67 Å²	67	74 Å²	74	41%	0.411	44%	0.436	S	S	.	.	H	α-helix	trans	-69.6	-16.1	171.4	54	0	0	0	0	113.5	I204 T205 T210	I204-T208 HydrophobicContact CG2-CG2 4.08Å; I204-T208 WeakPolarHBondContact O-CB 3.03Å; I204-T208 VanDerWaalsContact O-CG2 3.3Å; I204-T208 WeakPolarHBondContact O-CG2 3.37Å; I204-T208 PolarHBondContact O-N 2.78Å; I204-T208 PolarHBondContact O-OG1 2.76Å; I204-T208 VanDerWaalsContact O-OG1 3.05Å; T205-T208 PolarHBondContact O-OG1 2.74Å; T208-T210 VanDerWaalsContact C-N 3.33Å
209	E	48.3	Very low	50.7	Low	165 Å²	165	81.5 Å²	81.5	77%	0.771	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-22.6	170.6	-71	-176.2	169.4	0	0	112.4	T205 T207	T205-E209 PolarHBondContact O-N 3.13Å; T207-E209 PolarHBondContact O-N 3.12Å
210	T	47.6	Very low	49.8	Very low	109 Å²	109	83.1 Å²	83.1	67%	0.669	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98	-35.9	-177.7	5.6	0	0	0	0	113.8	T206 T207 T208	T206-T210 PolarHBondContact O-OG1 3.37Å; T207-T210 PolarHBondContact O-N 2.92Å; T207-T210 VanDerWaalsContact O-N 3.13Å; T207-T210 PolarHBondContact O-OG1 3.23Å; T208-T210 VanDerWaalsContact C-N 3.33Å
211	D	37.5	Very low	49.7	Very low	121 Å²	121	82.6 Å²	82.6	65%	0.647	46%	0.462	S	S	*	.	S	Bend	trans	-125.3	107.6	-179.4	-77.7	-38.5	0	0	0	111.2	T207 T213	T207-D211 PolarHBondContact O-N 3.45Å; T207-D211 VanDerWaalsContact O-N 3.14Å; D211-T213 PolarHBondContact O-N 2.82Å
212	G	35.9	Very low	49.4	Very low	87 Å²	87	81.4 Å²	81.4	90%	0.897	46%	0.457	S	S	*	.			trans	-67.7	41.6	-176.5	0	0	0	0	0	116.5
213	T	32.6	Very low	49	Very low	85 Å²	85	81.7 Å²	81.7	52%	0.521	46%	0.463	S	S	.	.			trans	-110.3	128.2	169.4	62.6	0	0	0	0	110.5	D211 Q215	D211-T213 PolarHBondContact O-N 2.82Å; T213-Q215 PolarHBondContact O-N 3.07Å
214	P	40.6	Very low	48.8	Very low	132 Å²	132	82.5 Å²	82.5	86%	0.857	47%	0.465	S	S	*	.			trans	-78.4	71	179	33.3	-33.7	0	0	0	109.3	S216	P214-S216 PolarHBondContact O-N 2.94Å
215	Q	35.1	Very low	49	Very low	126 Å²	126	81.8 Å²	81.8	59%	0.589	46%	0.461	S	S	*	.			trans	-75.1	114.5	165.3	-80.1	-172.2	-1.7	0	0	108	T213 P217	T213-Q215 PolarHBondContact O-N 3.07Å; Q215-P217 WeakPolarHBondContact O-CD 3.32Å; Q215-P217 VanDerWaalsContact O-N 3.13Å
216	S	45.6	Very low	49.6	Very low	35 Å²	35	83.3 Å²	83.3	25%	0.245	46%	0.461	C	S	.	.			trans	-57	118.7	-174.8	47.2	0	0	0	0	110.3	P214 F218 R219	P214-S216 PolarHBondContact O-N 2.94Å; S216-F218 PolarHBondContact O-N 2.82Å; S216-R219 PolarHBondContact O-N 2.67Å
217	P	52.3	Low	50.2	Low	41 Å²	41	79.4 Å²	79.4	27%	0.266	44%	0.437	S	S	.	.	H	α-helix	trans	-53.1	-31.1	-172	14.5	-29	0	0	0	112.3	I204 Q215 R219 Q220 I221	I204-P217 HydrophobicContact CB-CB 4.26Å; I204-P217 HydrophobicContact CD1-CB 3.89Å; I204-P217 WeakPolarHBondContact CD1-O 3.49Å; I204-P217 HydrophobicContact CG2-CB 3.74Å; Q215-P217 WeakPolarHBondContact O-CD 3.32Å; Q215-P217 VanDerWaalsContact O-N 3.13Å; P217-R219 PolarHBondContact O-N 2.65Å; P217-Q220 PolarHBondContact O-N 2.89Å; P217-I221 WeakPolarHBondContact O-CG1 3.21Å; P217-I221 PolarHBondContact O-N 2.78Å
218	F	51.8	Low	50.9	Low	18 Å²	18	75.7 Å²	75.7	8%	0.079	41%	0.414	C	S	.	.	H	α-helix	trans	-78.2	-16.3	-176.8	-50.6	-83.4	0	0	0	116	L48 F50 F54 S216 Q220 I221 L222	L48-F218 HydrophobicContact CD2-CE1 4.26Å; L48-F218 HydrophobicContact CD2-CZ 4.09Å; F50-F218 HydrophobicContact CD2-CD1 4.25Å; F54-F218 HydrophobicContact CD1-CB 3.11Å; F54-F218 HydrophobicContact CD1-CD1 4.36Å; F54-F218 AromaticContact CD1-CD2 3.63Å; F54-F218 HydrophobicContact CD1-CD2 3.63Å; F54-F218 AromaticContact CD1-CG 3.48Å; F54-F218 HydrophobicContact CD1-CG 3.48Å; F54-F218 VanDerWaalsContact CD1-CG 3.48Å; F54-F218 HydrophobicContact CD2-CB 4.15Å; F54-F218 HydrophobicContact CE1-CB 2.83Å; F54-F218 AromaticContact CE1-CD1 3.88Å; F54-F218 HydrophobicContact CE1-CD1 3.88Å; F54-F218 HydrophobicContact CE1-CD2 4Å; F54-F218 AromaticContact CE1-CG 3.35Å; F54-F218 HydrophobicContact CE1-CG 3.35Å; F54-F218 HydrophobicContact CE2-CB 3.89Å; F54-F218 HydrophobicContact CG-CB 3.8Å; F54-F218 HydrophobicContact CG-CG 4.48Å; F54-F218 HydrophobicContact CZ-CB 3.25Å; F54-F218 HydrophobicContact CZ-CG 4.21Å; S216-F218 PolarHBondContact O-N 2.82Å; F218-Q220 VanDerWaalsContact C-N 3.29Å; F218-I221 HydrophobicContact CD1-CD1 4.19Å; F218-I221 PolarHBondContact O-N 2.77Å; F218-L222 PolarHBondContact O-N 2.74Å
219	R	47.5	Very low	51.9	Low	183 Å²	183	78 Å²	78	69%	0.691	42%	0.416	S	S	*	.	H	α-helix	trans	-68.7	-31	170.8	-110.6	-173.8	-179.9	173.6	1.2	111.6	S216 P217 P223	S216-R219 PolarHBondContact O-N 2.67Å; P217-R219 PolarHBondContact O-N 2.65Å; R219-P223 VanDerWaalsContact O-CD 3.25Å; R219-P223 WeakPolarHBondContact O-CD 3.34Å
220	Q	49.6	Very low	52.9	Low	85 Å²	85	71.1 Å²	71.1	40%	0.397	38%	0.384	S	S	.	.	H	α-helix	trans	-84.5	-20.7	176.1	-62.2	-171	9.6	0	0	113	I204 P217 F218 P223	I204-Q220 HydrophobicContact CD1-CB 4.37Å; P217-Q220 PolarHBondContact O-N 2.89Å; F218-Q220 VanDerWaalsContact C-N 3.29Å; Q220-P223 WeakPolarHBondContact O-CD 3.19Å; Q220-P223 WeakPolarHBondContact O-CG 3.37Å
221	I	58.8	Low	54	Low	2 Å²	2	66.1 Å²	66.1	1%	0.01	35%	0.353	C	S	.	.	H	α-helix	trans	-74.5	-36.5	173.8	-66.1	169.3	0	0	0	111.8	F50 M197 L200 P217 F218 K224 C225 A228	F50-I221 HydrophobicContact CD2-CG2 4.4Å; F50-I221 HydrophobicContact CE2-CG2 4.48Å; M197-I221 HydrophobicContact CE-CG2 3.98Å; M197-I221 HydrophobicContact CG-CG2 4.12Å; L200-I221 HydrophobicContact CB-CG1 4.46Å; L200-I221 HydrophobicContact CD1-CG1 4.47Å; P217-I221 WeakPolarHBondContact O-CG1 3.21Å; P217-I221 PolarHBondContact O-N 2.78Å; F218-I221 HydrophobicContact CD1-CD1 4.19Å; F218-I221 PolarHBondContact O-N 2.77Å; I221-K224 PolarHBondContact O-N 2.93Å; I221-K224 VanDerWaalsContact O-N 3.13Å; I221-C225 HydrophobicContact CG2-CB 4.04Å; I221-C225 PolarHBondContact O-N 3.04Å; I221-A228 HydrophobicContact CG2-CB 4.05Å
222	L	56.8	Low	55.5	Low	24 Å²	24	63.8 Å²	63.8	13%	0.126	34%	0.337	C	S	.	.	H	α-helix	trans	-51.1	-45.5	178.3	-80.9	178.2	0	0	0	115.8	F50 F54 F218 A228 K232	F50-L222 HydrophobicContact CE2-CD2 4.39Å; F50-L222 HydrophobicContact CZ-CD2 4Å; F54-L222 HydrophobicContact CE2-CD1 3.67Å; F54-L222 HydrophobicContact CE2-CD2 4.41Å; F54-L222 HydrophobicContact CE2-CG 3.89Å; F54-L222 HydrophobicContact CZ-CD1 4.44Å; F54-L222 HydrophobicContact CZ-CD2 4.45Å; F54-L222 HydrophobicContact CZ-CG 4.2Å; F218-L222 PolarHBondContact O-N 2.74Å; L222-A228 HydrophobicContact CD2-CB 4.38Å; L222-K232 HydrophobicContact CD1-CD 3.9Å; L222-K232 HydrophobicContact CD2-CB 3.81Å; L222-K232 HydrophobicContact CD2-CD 3.65Å; L222-K232 HydrophobicContact CD2-CG 4.33Å; L222-K232 HydrophobicContact CG-CD 4.44Å
223	P	55.7	Low	57.1	Low	82 Å²	82	64.3 Å²	64.3	53%	0.532	32%	0.316	S	S	.	.	H	α-helix	trans	-75.3	-26.3	178.7	26.4	-34.4	0	0	0	113.2	R219 Q220 R229	R219-P223 VanDerWaalsContact O-CD 3.25Å; R219-P223 WeakPolarHBondContact O-CD 3.34Å; Q220-P223 WeakPolarHBondContact O-CD 3.19Å; Q220-P223 WeakPolarHBondContact O-CG 3.37Å; P223-R229 PolarHBondContact O-NH2 2.86Å
224	K	57.6	Low	58.8	Low	120 Å²	120	60.3 Å²	60.3	52%	0.522	29%	0.292	S	S	.	.	H	α-helix	trans	-93.2	-30.7	-172.4	-68.3	-176.4	177.5	178.4	0	113.9	L196 L200 I221	L196-K224 HydrophobicContact CD2-CB 4.34Å; L200-K224 HydrophobicContact CD1-CB 3.88Å; L200-K224 HydrophobicContact CD1-CD 3.65Å; L200-K224 HydrophobicContact CD1-CG 4.4Å; L200-K224 HydrophobicContact CD2-CD 3.8Å; L200-K224 HydrophobicContact CG-CD 4.41Å; I221-K224 PolarHBondContact O-N 2.93Å; I221-K224 VanDerWaalsContact O-N 3.13Å
225	C	63.1	Low	60	Low	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.257	C	S	.	.			trans	-102.4	120.3	179.8	-72.1	0	0	0	0	111.4	E193 L196 M197 I221 L227 A228 R229	E193-C225 VanDerWaalsContact OE2-CA 3.27Å; E193-C225 WeakPolarHBondContact OE2-CA 3.42Å; E193-C225 VanDerWaalsContact OE2-CB 3.23Å; E193-C225 WeakPolarHBondContact OE2-CB 3.41Å; E193-C225 PolarHBondContact OE2-SG 3.47Å; E193-C225 VanDerWaalsContact OE2-SG 3.35Å; L196-C225 WeakPolarHBondContact CD2-SG 3.39Å; M197-C225 HydrophobicContact CE-CB 3.72Å; M197-C225 WeakPolarHBondContact CG-SG 3.08Å; I221-C225 HydrophobicContact CG2-CB 4.04Å; I221-C225 PolarHBondContact O-N 3.04Å; C225-L227 VanDerWaalsContact C-N 3.32Å; C225-L227 PolarHBondContact O-N 2.96Å; C225-A228 HydrophobicContact CB-CB 3.68Å; C225-A228 PolarHBondContact O-N 2.92Å; C225-R229 PolarHBondContact O-N 2.82Å
226	K	68.4	Low	61.5	Low	104 Å²	104	52.3 Å²	52.3	45%	0.452	24%	0.244	S	C	.	.	H	α-helix	trans	-63.3	-41.2	175	-75.5	-178.1	-177.7	-178	0	110.8	Y189 A228 R229 D230	Y189-K226 WeakPolarHBondContact OH-CB 3.27Å; K226-A228 VanDerWaalsContact C-N 3.31Å; K226-A228 PolarHBondContact O-N 3.09Å; K226-R229 WeakPolarHBondContact O-CB 3.3Å; K226-R229 PolarHBondContact O-N 3.38Å; K226-R229 VanDerWaalsContact O-N 3.09Å; K226-D230 PolarHBondContact O-N 3.26Å
227	L	69.1	Low	62.3	Low	4 Å²	4	51.7 Å²	51.7	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-38.2	176	-177.6	62.9	0	0	0	113.2	L38 L180 Y189 L190 E193 C225 R229 D230 L231	L38-L227 HydrophobicContact CD2-CD2 3.87Å; L180-L227 HydrophobicContact CD1-CD1 4.45Å; L180-L227 HydrophobicContact CD2-CD1 3.68Å; Y189-L227 HydrophobicContact CE1-CB 4.43Å; Y189-L227 PolarHBondContact OH-N 3.03Å; L190-L227 HydrophobicContact CD1-CD2 3.69Å; E193-L227 HydrophobicContact CG-CB 4.35Å; C225-L227 VanDerWaalsContact C-N 3.32Å; C225-L227 PolarHBondContact O-N 2.96Å; L227-R229 VanDerWaalsContact C-N 3.33Å; L227-D230 PolarHBondContact O-N 3.04Å; L227-L231 HydrophobicContact CD1-CG 4.43Å; L227-L231 HydrophobicContact CG-CD1 4.3Å; L227-L231 WeakPolarHBondContact O-CB 3.37Å; L227-L231 VanDerWaalsContact O-CG 3.29Å; L227-L231 WeakPolarHBondContact O-CG 3.19Å; L227-L231 PolarHBondContact O-N 3Å
228	A	65.4	Low	62.9	Low	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.7	-36	177.4	0	0	0	0	0	112	F50 M197 I221 L222 C225 K226 K232	F50-A228 HydrophobicContact CD2-CB 4Å; F50-A228 HydrophobicContact CE2-CB 3.47Å; F50-A228 VanDerWaalsContact CE2-CB 3.47Å; F50-A228 HydrophobicContact CZ-CB 3.78Å; M197-A228 HydrophobicContact CE-CB 3.84Å; I221-A228 HydrophobicContact CG2-CB 4.05Å; L222-A228 HydrophobicContact CD2-CB 4.38Å; C225-A228 HydrophobicContact CB-CB 3.68Å; C225-A228 PolarHBondContact O-N 2.92Å; K226-A228 VanDerWaalsContact C-N 3.31Å; K226-A228 PolarHBondContact O-N 3.09Å; A228-K232 WeakPolarHBondContact O-CB 3.29Å; A228-K232 PolarHBondContact O-N 2.9Å
229	R	70.4	Confident	63.3	Low	115 Å²	115	50.7 Å²	50.7	43%	0.434	24%	0.235	S	C	.	.	H	α-helix	trans	-67.9	-44.8	174.5	-167.8	-178.4	-56.1	137.3	6.3	111.2	P223 C225 K226 L227 L231 K232 E233	P223-R229 PolarHBondContact O-NH2 2.86Å; C225-R229 PolarHBondContact O-N 2.82Å; K226-R229 WeakPolarHBondContact O-CB 3.3Å; K226-R229 PolarHBondContact O-N 3.38Å; K226-R229 VanDerWaalsContact O-N 3.09Å; L227-R229 VanDerWaalsContact C-N 3.33Å; R229-L231 PolarHBondContact O-N 3.23Å; R229-K232 WeakPolarHBondContact O-CB 3.47Å; R229-K232 PolarHBondContact O-N 3.22Å; R229-E233 WeakPolarHBondContact O-CB 3.48Å; R229-E233 PolarHBondContact O-N 3.36Å
230	D	69.8	Low	63.7	Low	21 Å²	21	47.4 Å²	47.4	11%	0.112	24%	0.235	C	C	.	.	H	α-helix	trans	-62.8	-42.3	177.8	-59.2	-14.7	0	0	0	110.7	K226 L227 E233 A234 L246	K226-D230 PolarHBondContact O-N 3.26Å; L227-D230 PolarHBondContact O-N 3.04Å; D230-E233 PolarHBondContact O-N 3.41Å; D230-A234 VanDerWaalsContact O-CB 3.3Å; D230-A234 WeakPolarHBondContact O-CB 3.49Å; D230-A234 PolarHBondContact O-N 2.87Å; D230-L246 WeakPolarHBondContact O-CD2 3.38Å
231	L	70	Confident	64	Low	3 Å²	3	47.1 Å²	47.1	2%	0.016	24%	0.24	C	C	.	.	H	α-helix	trans	-68.1	-34.3	175.8	-70.9	175.7	0	0	0	113	V36 L38 F50 L227 R229 A234 Y235	V36-L231 HydrophobicContact CG1-CD2 4.26Å; L38-L231 HydrophobicContact CB-CD1 4.42Å; L38-L231 HydrophobicContact CD2-CD1 4.49Å; F50-L231 HydrophobicContact CD1-CB 4.32Å; F50-L231 HydrophobicContact CD1-CD1 3.89Å; F50-L231 HydrophobicContact CE1-CB 3.98Å; F50-L231 HydrophobicContact CE1-CD1 4.36Å; L227-L231 HydrophobicContact CD1-CG 4.43Å; L227-L231 HydrophobicContact CG-CD1 4.3Å; L227-L231 WeakPolarHBondContact O-CB 3.37Å; L227-L231 VanDerWaalsContact O-CG 3.29Å; L227-L231 WeakPolarHBondContact O-CG 3.19Å; L227-L231 PolarHBondContact O-N 3Å; R229-L231 PolarHBondContact O-N 3.23Å; L231-A234 WeakPolarHBondContact O-CB 3.33Å; L231-Y235 PolarHBondContact O-N 3.43Å
232	K	68.6	Low	63.8	Low	72 Å²	72	47 Å²	47	31%	0.313	24%	0.239	S	C	.	.	H	α-helix	trans	-66.4	-49.3	172.8	165.8	170.1	-178	-164.1	0	111.1	Y52 L222 A228 R229 A234 Y235 D236	Y52-K232 HydrophobicContact CD1-CB 4.35Å; Y52-K232 HydrophobicContact CD2-CB 4.43Å; Y52-K232 HydrophobicContact CE1-CB 4.13Å; Y52-K232 HydrophobicContact CE1-CG 3.83Å; Y52-K232 HydrophobicContact CE2-CB 4.28Å; Y52-K232 HydrophobicContact CE2-CD 3.82Å; Y52-K232 HydrophobicContact CE2-CG 3.88Å; Y52-K232 HydrophobicContact CG-CB 4.49Å; Y52-K232 VanDerWaalsContact OH-CE 3.25Å; Y52-K232 WeakPolarHBondContact OH-CE 3.31Å; L222-K232 HydrophobicContact CD1-CD 3.9Å; L222-K232 HydrophobicContact CD2-CB 3.81Å; L222-K232 HydrophobicContact CD2-CD 3.65Å; L222-K232 HydrophobicContact CD2-CG 4.33Å; L222-K232 HydrophobicContact CG-CD 4.44Å; A228-K232 WeakPolarHBondContact O-CB 3.29Å; A228-K232 PolarHBondContact O-N 2.9Å; R229-K232 WeakPolarHBondContact O-CB 3.47Å; R229-K232 PolarHBondContact O-N 3.22Å; K232-A234 PolarHBondContact O-N 2.66Å; K232-Y235 PolarHBondContact O-N 2.91Å; K232-Y235 VanDerWaalsContact O-N 3.14Å; K232-D236 WeakPolarHBondContact CE-OD2 3.46Å; K232-D236 WeakPolarHBondContact O-CB 3.18Å; K232-D236 PolarHBondContact O-N 2.72Å
233	E	70.3	Confident	63.9	Low	98 Å²	98	46.9 Å²	46.9	46%	0.458	24%	0.24	S	C	.	.	H	α-helix	trans	-60.6	-36.8	176.5	-176.1	172.6	-179.2	0	0	110.9	R229 D230 D236 S237 L246	R229-E233 WeakPolarHBondContact O-CB 3.48Å; R229-E233 PolarHBondContact O-N 3.36Å; D230-E233 PolarHBondContact O-N 3.41Å; E233-D236 PolarHBondContact O-N 2.87Å; E233-S237 WeakPolarHBondContact O-CB 3.01Å; E233-S237 PolarHBondContact O-N 3.46Å; E233-S237 PolarHBondContact O-OG 2.96Å; E233-L246 HydrophobicContact CB-CD2 4.37Å; E233-L246 HydrophobicContact CG-CD2 4.46Å
234	A	67.8	Low	63.8	Low	1 Å²	1	43 Å²	43	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-57.8	-52.3	172.8	0	0	0	0	0	110.8	D230 L231 K232 L238 V244 L246	D230-A234 VanDerWaalsContact O-CB 3.3Å; D230-A234 WeakPolarHBondContact O-CB 3.49Å; D230-A234 PolarHBondContact O-N 2.87Å; L231-A234 WeakPolarHBondContact O-CB 3.33Å; K232-A234 PolarHBondContact O-N 2.66Å; A234-L238 WeakPolarHBondContact O-CB 3.47Å; A234-L238 PolarHBondContact O-N 3.43Å; A234-V244 HydrophobicContact CB-CG1 4.1Å; A234-V244 WeakPolarHBondContact O-CG2 3.47Å; A234-L246 HydrophobicContact CB-CD1 3.47Å; A234-L246 VanDerWaalsContact CB-CD1 3.47Å; A234-L246 HydrophobicContact CB-CD2 3.83Å; A234-L246 HydrophobicContact CB-CG 4.11Å
235	Y	65.6	Low	63.7	Low	33 Å²	33	39.8 Å²	39.8	13%	0.129	20%	0.199	C	C	.	.	H	α-helix	trans	-64.9	-45.3	179.9	179	-86.4	0	0	0	112.5	P33 I34 V36 Y52 P53 L231 K232 S237 L238 C239	P33-Y235 HydrophobicContact CB-CE2 4.33Å; P33-Y235 HydrophobicContact CG-CD2 3.86Å; P33-Y235 HydrophobicContact CG-CE2 3.77Å; P33-Y235 WeakPolarHBondContact O-CE2 3.38Å; P33-Y235 PolarHBondContact O-OH 3.3Å; I34-Y235 PolarHBondContact O-OH 2.89Å; V36-Y235 HydrophobicContact CG2-CD2 3.65Å; V36-Y235 HydrophobicContact CG2-CG 4.22Å; Y52-Y235 AromaticContact CD1-CD1 3.71Å; Y52-Y235 HydrophobicContact CD1-CD1 3.71Å; Y52-Y235 HydrophobicContact CD1-CD2 4.35Å; Y52-Y235 HydrophobicContact CD1-CE1 4.45Å; Y52-Y235 AromaticContact CD1-CG 3.61Å; Y52-Y235 HydrophobicContact CD1-CG 3.61Å; Y52-Y235 AromaticContact CE1-CD1 3.26Å; Y52-Y235 HydrophobicContact CE1-CD1 3.26Å; Y52-Y235 HydrophobicContact CE1-CE1 4.04Å; Y52-Y235 AromaticContact CE1-CG 3.63Å; Y52-Y235 HydrophobicContact CE1-CG 3.63Å; P53-Y235 HydrophobicContact CG-CE1 4.32Å; L231-Y235 PolarHBondContact O-N 3.43Å; K232-Y235 PolarHBondContact O-N 2.91Å; K232-Y235 VanDerWaalsContact O-N 3.14Å; Y235-S237 VanDerWaalsContact C-N 3.34Å; Y235-S237 PolarHBondContact O-N 3.09Å; Y235-L238 WeakPolarHBondContact O-CB 3.18Å; Y235-L238 PolarHBondContact O-N 3.14Å; Y235-C239 WeakPolarHBondContact CE1-SG 3.45Å; Y235-C239 WeakPolarHBondContact O-CB 3.36Å; Y235-C239 PolarHBondContact O-N 3.25Å; Y235-C239 PolarHBondContact O-SG 2.87Å
236	D	66.7	Low	63.5	Low	57 Å²	57	39.9 Å²	39.9	31%	0.305	20%	0.199	S	C	.	.	H	α-helix	trans	-64.6	-41.9	-178.6	-69.8	-12.6	0	0	0	110	Y52 K232 E233 C239 T240	Y52-D236 WeakPolarHBondContact CE1-OD1 3.14Å; Y52-D236 PolarHBondContact OH-OD1 3.24Å; Y52-D236 PolarHBondContact OH-OD2 3.45Å; K232-D236 WeakPolarHBondContact CE-OD2 3.46Å; K232-D236 WeakPolarHBondContact O-CB 3.18Å; K232-D236 PolarHBondContact O-N 2.72Å; E233-D236 PolarHBondContact O-N 2.87Å; D236-C239 PolarHBondContact O-N 2.99Å; D236-T240 WeakPolarHBondContact O-CB 3.32Å; D236-T240 PolarHBondContact O-N 3.4Å; D236-T240 PolarHBondContact O-OG1 3.34Å
237	S	62.9	Low	63	Low	23 Å²	23	38.9 Å²	38.9	16%	0.161	20%	0.196	C	C	.	.	H	α-helix	trans	-67	-39.5	175.1	-58.3	0	0	0	0	112	E233 Y235 C239 T241 G242 V243	E233-S237 WeakPolarHBondContact O-CB 3.01Å; E233-S237 PolarHBondContact O-N 3.46Å; E233-S237 PolarHBondContact O-OG 2.96Å; Y235-S237 VanDerWaalsContact C-N 3.34Å; Y235-S237 PolarHBondContact O-N 3.09Å; S237-C239 VanDerWaalsContact C-N 3.26Å; S237-C239 PolarHBondContact O-N 3.08Å; S237-T241 PolarHBondContact O-N 3.46Å; S237-T241 PolarHBondContact O-OG1 2.86Å; S237-G242 PolarHBondContact O-N 3.35Å; S237-V243 WeakPolarHBondContact CB-O 3.19Å
238	L	65.1	Low	62.5	Low	1 Å²	1	38.8 Å²	38.8	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-64	-33.9	173.5	-157.3	94.4	0	0	0	112.3	P33 M169 L172 A234 Y235 V244 L258 K261	P33-L238 HydrophobicContact CB-CD2 4.37Å; P33-L238 HydrophobicContact CG-CD2 3.19Å; M169-L238 HydrophobicContact CE-CD1 3.68Å; M169-L238 HydrophobicContact CE-CD2 3.86Å; M169-L238 HydrophobicContact CE-CG 4.21Å; M169-L238 HydrophobicContact SD-CD2 3.78Å; L172-L238 HydrophobicContact CD2-CD1 3.63Å; A234-L238 WeakPolarHBondContact O-CB 3.47Å; A234-L238 PolarHBondContact O-N 3.43Å; Y235-L238 WeakPolarHBondContact O-CB 3.18Å; Y235-L238 PolarHBondContact O-N 3.14Å; L238-V244 HydrophobicContact CB-CG2 3.94Å; L238-V244 HydrophobicContact CD1-CG2 3.45Å; L238-V244 VanDerWaalsContact CD1-CG2 3.45Å; L238-V244 HydrophobicContact CG-CG2 4.34Å; L238-L258 HydrophobicContact CD1-CD1 3.07Å; L238-L258 HydrophobicContact CG-CD1 3.76Å; L238-K261 WeakPolarHBondContact O-CD 3.41Å; L238-K261 PolarHBondContact O-NZ 2.94Å
239	C	59.3	Low	61.9	Low	36 Å²	36	41.1 Å²	41.1	24%	0.243	21%	0.208	C	C	.	.	H	α-helix	trans	-76	-46.1	178.4	-71.6	0	0	0	0	112	Y235 D236 S237 K261	Y235-C239 WeakPolarHBondContact CE1-SG 3.45Å; Y235-C239 WeakPolarHBondContact O-CB 3.36Å; Y235-C239 PolarHBondContact O-N 3.25Å; Y235-C239 PolarHBondContact O-SG 2.87Å; D236-C239 PolarHBondContact O-N 2.99Å; S237-C239 VanDerWaalsContact C-N 3.26Å; S237-C239 PolarHBondContact O-N 3.08Å; C239-K261 PolarHBondContact O-NZ 3.27Å
240	T	57.2	Low	61.1	Low	114 Å²	114	42.7 Å²	42.7	70%	0.699	23%	0.225	S	C	*	.	H	α-helix	trans	-88.2	-45.8	-172.9	45.1	0	0	0	0	114.7	D236	D236-T240 WeakPolarHBondContact O-CB 3.32Å; D236-T240 PolarHBondContact O-N 3.4Å; D236-T240 PolarHBondContact O-OG1 3.34Å
241	T	54.6	Low	60.4	Low	80 Å²	80	49.3 Å²	49.3	49%	0.491	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	-22.2	-169.3	62.9	0	0	0	0	113.4	S237 V243	S237-T241 PolarHBondContact O-N 3.46Å; S237-T241 PolarHBondContact O-OG1 2.86Å; T241-V243 PolarHBondContact O-N 3.01Å; T241-V243 PolarHBondContact OG1-N 3.43Å; T241-V243 PolarHBondContact OG1-O 3.27Å
242	G	56.3	Low	59.6	Low	0 Å²	0	51.7 Å²	51.7	0%	0	26%	0.261	C	S	.	.	S	Bend	trans	71.5	3.1	-175.5	0	0	0	0	0	114.2	S237 L258	S237-G242 PolarHBondContact O-N 3.35Å; G242-L258 PolarHBondContact O-N 3.1Å
243	V	57.4	Low	58.9	Low	21 Å²	21	50 Å²	50	13%	0.127	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	118.2	171.2	-176.5	0	0	0	0	107.1	S237 T241 R245 I262 W346	S237-V243 WeakPolarHBondContact CB-O 3.19Å; T241-V243 PolarHBondContact O-N 3.01Å; T241-V243 PolarHBondContact OG1-N 3.43Å; T241-V243 PolarHBondContact OG1-O 3.27Å; V243-R245 HydrophobicContact CG1-CG 4.02Å; V243-I262 HydrophobicContact CG2-CD1 3.61Å; V243-I262 HydrophobicContact CG2-CG1 3.68Å; V243-W346 HydrophobicContact CG1-CE3 4.29Å; V243-W346 HydrophobicContact CG1-CZ3 4.25Å
244	V	55.1	Low	58.2	Low	0 Å²	0	45.9 Å²	45.9	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	108.6	175.4	173.8	0	0	0	0	107.2	L172 A234 L238 L246 S255 F256	L172-V244 HydrophobicContact CD1-CG1 4.33Å; A234-V244 HydrophobicContact CB-CG1 4.1Å; A234-V244 WeakPolarHBondContact O-CG2 3.47Å; L238-V244 HydrophobicContact CB-CG2 3.94Å; L238-V244 HydrophobicContact CD1-CG2 3.45Å; L238-V244 VanDerWaalsContact CD1-CG2 3.45Å; L238-V244 HydrophobicContact CG-CG2 4.34Å; V244-L246 HydrophobicContact CG1-CD1 3.62Å; V244-L246 HydrophobicContact CG1-CD2 4.2Å; V244-L246 HydrophobicContact CG1-CG 3.51Å; V244-S255 CarbonylContact O-C 3.45Å; V244-S255 WeakPolarHBondContact O-CA 3.42Å; V244-F256 HydrophobicContact CB-CB 4.4Å; V244-F256 PolarHBondContact N-O 3.1Å; V244-F256 PolarHBondContact O-N 3.5Å; V244-F256 VanDerWaalsContact O-O 3.13Å
245	R	54.1	Low	57.4	Low	52 Å²	52	46.7 Å²	46.7	20%	0.196	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	108.7	166.5	-57.7	-161.5	-178.4	116.1	-8.5	107.6	V243 S255 Q300	V243-R245 HydrophobicContact CG1-CG 4.02Å; R245-S255 VanDerWaalsContact CG-OG 3.3Å; R245-S255 WeakPolarHBondContact CG-OG 3.33Å; R245-Q300 PolarHBondContact NE-O 2.92Å; R245-Q300 PolarHBondContact NH1-O 3.11Å; R245-Q300 PolarHBondContact NH2-O 3.33Å
246	L	59.1	Low	56.9	Low	3 Å²	3	45.2 Å²	45.2	2%	0.016	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	122.8	179.6	-64.2	172.2	0	0	0	109.6	I176 D230 E233 A234 V244 I248 E253 V254	I176-L246 HydrophobicContact CD1-CD1 4.24Å; I176-L246 HydrophobicContact CG1-CD1 4.48Å; D230-L246 WeakPolarHBondContact O-CD2 3.38Å; E233-L246 HydrophobicContact CB-CD2 4.37Å; E233-L246 HydrophobicContact CG-CD2 4.46Å; A234-L246 HydrophobicContact CB-CD1 3.47Å; A234-L246 VanDerWaalsContact CB-CD1 3.47Å; A234-L246 HydrophobicContact CB-CD2 3.83Å; A234-L246 HydrophobicContact CB-CG 4.11Å; V244-L246 HydrophobicContact CG1-CD1 3.62Å; V244-L246 HydrophobicContact CG1-CD2 4.2Å; V244-L246 HydrophobicContact CG1-CG 3.51Å; L246-I248 PolarHBondContact O-N 3.19Å; L246-E253 CarbonylContact O-C 3.53Å; L246-E253 WeakPolarHBondContact O-CA 3.29Å; L246-V254 HydrophobicContact CB-CB 4.46Å; L246-V254 PolarHBondContact N-O 3.12Å; L246-V254 PolarHBondContact O-N 3.25Å
247	H	57.7	Low	56.2	Low	82 Å²	82	42.5 Å²	42.5	38%	0.38	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	89.6	168.8	-68.4	85.9	0	0	0	108.6	N249 N250 E253	H247-N249 PolarHBondContact O-N 2.83Å; H247-N249 VanDerWaalsContact O-N 3.08Å; H247-N250 PolarHBondContact O-N 3.39Å; H247-E253 IonicContact CE1-OE1 3.26Å; H247-E253 IonicContact CE1-OE2 3.56Å; H247-E253 WeakPolarHBondContact NE2-CG 3.49Å; H247-E253 IonicContact NE2-OE2 2.8Å; H247-E253 PolarHBondContact NE2-OE2 3.07Å
248	I	58.6	Low	55.8	Low	3 Å²	3	41.5 Å²	41.5	2%	0.015	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	115.7	175.5	-57	-177.8	0	0	0	107.2	A179 L180 E183 Y189 L246 N250 W251 L252 V254	A179-I248 HydrophobicContact CB-CD1 3.84Å; L180-I248 HydrophobicContact CD2-CD1 4.27Å; L180-I248 HydrophobicContact CD2-CG2 4.27Å; L180-I248 HydrophobicContact CG-CD1 4.43Å; E183-I248 HydrophobicContact CG-CG2 4.11Å; Y189-I248 HydrophobicContact CE1-CG2 4.2Å; L246-I248 PolarHBondContact O-N 3.19Å; I248-N250 VanDerWaalsContact C-N 3.26Å; I248-N250 PolarHBondContact O-N 3.15Å; I248-W251 PolarHBondContact O-N 3.04Å; I248-L252 PolarHBondContact N-O 3.16Å; I248-L252 PolarHBondContact O-N 2.83Å; I248-V254 HydrophobicContact CD1-CG2 4.03Å; I248-V254 HydrophobicContact CG1-CG2 4.47Å
249	N	53.4	Low	55	Low	49 Å²	49	41.7 Å²	41.7	26%	0.262	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	29	179.1	-162.9	21.9	0	0	0	114.7	E183 H247 W251	E183-N249 PolarHBondContact OE2-ND2 3.05Å; H247-N249 PolarHBondContact O-N 2.83Å; H247-N249 VanDerWaalsContact O-N 3.08Å; N249-W251 PolarHBondContact O-N 2.93Å
250	N	53.9	Low	54.6	Low	147 Å²	147	40.2 Å²	40.2	79%	0.786	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.8	14.2	-177.1	-69.5	4.2	0	0	0	115.1	H247 I248	H247-N250 PolarHBondContact O-N 3.39Å; I248-N250 VanDerWaalsContact C-N 3.26Å; I248-N250 PolarHBondContact O-N 3.15Å
251	W	53.8	Low	54.1	Low	161 Å²	161	35.9 Å²	35.9	61%	0.61	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-115.4	-48.3	178.9	-170	-48.1	0	0	0	110.8	R186 I248 N249	R186-W251 VanDerWaalsContact NH1-CZ2 3.32Å; R186-W251 VanDerWaalsContact NH1-CZ3 3.33Å; I248-W251 PolarHBondContact O-N 3.04Å; N249-W251 PolarHBondContact O-N 2.93Å
252	L	53.6	Low	53.8	Low	53 Å²	53	33.6 Å²	33.6	28%	0.277	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	107.3	-173	-171.1	66.5	0	0	0	110.2	A179 I248 V254	A179-L252 VanDerWaalsContact CA-CD2 3.49Å; A179-L252 HydrophobicContact CB-CD2 3.41Å; A179-L252 VanDerWaalsContact CB-CD2 3.41Å; A179-L252 HydrophobicContact CB-CG 4.4Å; I248-L252 PolarHBondContact N-O 3.16Å; I248-L252 PolarHBondContact O-N 2.83Å; L252-V254 PolarHBondContact O-N 3.41Å
253	E	54.7	Low	53.4	Low	35 Å²	35	33.6 Å²	33.6	16%	0.164	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	107.2	173.2	-165.5	-176.4	158.3	0	0	110.6	L246 H247 S255 P302	L246-E253 CarbonylContact O-C 3.53Å; L246-E253 WeakPolarHBondContact O-CA 3.29Å; H247-E253 IonicContact CE1-OE1 3.26Å; H247-E253 IonicContact CE1-OE2 3.56Å; H247-E253 WeakPolarHBondContact NE2-CG 3.49Å; H247-E253 IonicContact NE2-OE2 2.8Å; H247-E253 PolarHBondContact NE2-OE2 3.07Å; E253-S255 PolarHBondContact O-N 2.91Å; E253-S255 PolarHBondContact OE1-OG 2.89Å; E253-P302 WeakPolarHBondContact OE1-CG 3.23Å; E253-P302 WeakPolarHBondContact OE2-CA 3.29Å; E253-P302 WeakPolarHBondContact OE2-CB 3.21Å; E253-P302 WeakPolarHBondContact OE2-CG 3.45Å
254	V	55	Low	52.7	Low	12 Å²	12	38.2 Å²	38.2	7%	0.073	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	94.1	165.7	-175.5	0	0	0	0	107.8	R175 I176 A179 L246 I248 L252	R175-V254 HydrophobicContact CB-CG1 3.95Å; I176-V254 HydrophobicContact CG1-CG1 4.43Å; A179-V254 HydrophobicContact CB-CG2 3.36Å; L246-V254 HydrophobicContact CB-CB 4.46Å; L246-V254 PolarHBondContact N-O 3.12Å; L246-V254 PolarHBondContact O-N 3.25Å; I248-V254 HydrophobicContact CD1-CG2 4.03Å; I248-V254 HydrophobicContact CG1-CG2 4.47Å; L252-V254 PolarHBondContact O-N 3.41Å
255	S	51.6	Low	52	Low	19 Å²	19	39.3 Å²	39.3	13%	0.133	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	125.4	170.8	-80.3	0	0	0	0	109.6	R175 V244 R245 E253 W346	R175-S255 PolarHBondContact NH1-O 3.34Å; V244-S255 CarbonylContact O-C 3.45Å; V244-S255 WeakPolarHBondContact O-CA 3.42Å; R245-S255 VanDerWaalsContact CG-OG 3.3Å; R245-S255 WeakPolarHBondContact CG-OG 3.33Å; E253-S255 PolarHBondContact O-N 2.91Å; E253-S255 PolarHBondContact OE1-OG 2.89Å; S255-W346 VanDerWaalsContact C-CH2 3.48Å
256	F	54.3	Low	51.1	Low	2 Å²	2	40.4 Å²	40.4	1%	0.009	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	134.2	-179.6	-173	-95.5	0	0	0	110.5	C168 N171 L172 V244 L258	C168-F256 HydrophobicContact CB-CZ 4.39Å; C168-F256 WeakPolarHBondContact O-CZ 3.39Å; C168-F256 VanDerWaalsContact SG-CE1 3.5Å; C168-F256 WeakPolarHBondContact SG-CZ 3.46Å; N171-F256 HydrophobicContact CB-CE2 3.89Å; N171-F256 HydrophobicContact CB-CZ 4.21Å; L172-F256 HydrophobicContact CB-CD1 3.76Å; L172-F256 HydrophobicContact CB-CD2 4.21Å; L172-F256 HydrophobicContact CB-CE1 3.66Å; L172-F256 HydrophobicContact CB-CE2 4.13Å; L172-F256 HydrophobicContact CB-CG 4.03Å; L172-F256 HydrophobicContact CB-CZ 3.86Å; L172-F256 HydrophobicContact CD1-CB 3.52Å; L172-F256 HydrophobicContact CD1-CD1 3.64Å; L172-F256 HydrophobicContact CD1-CD2 4.24Å; L172-F256 HydrophobicContact CD1-CE1 4.43Å; L172-F256 HydrophobicContact CD1-CG 3.51Å; L172-F256 HydrophobicContact CD2-CD1 4.21Å; L172-F256 HydrophobicContact CG-CD1 4.07Å; L172-F256 HydrophobicContact CG-CE1 4.41Å; L172-F256 HydrophobicContact CG-CG 4.3Å; V244-F256 HydrophobicContact CB-CB 4.4Å; V244-F256 PolarHBondContact N-O 3.1Å; V244-F256 PolarHBondContact O-N 3.5Å; V244-F256 VanDerWaalsContact O-O 3.13Å; F256-L258 HydrophobicContact CD1-CD1 4.36Å; F256-L258 HydrophobicContact CE1-CD1 4.09Å; F256-L258 HydrophobicContact CE1-CG 4.12Å
257	C	52	Low	50.2	Low	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.5	176.1	-84.5	0	0	0	0	109.8	P259 I262 Y345 W346	C257-P259 VanDerWaalsContact O-CD 3.27Å; C257-P259 WeakPolarHBondContact O-CD 3.18Å; C257-I262 HydrophobicContact CB-CD1 3.29Å; C257-I262 WeakPolarHBondContact SG-CD1 3.5Å; C257-Y345 HydrophobicContact CB-CD1 4.36Å; C257-Y345 HydrophobicContact CB-CE1 3.81Å; C257-W346 HydrophobicContact CB-CE3 4.41Å; C257-W346 HydrophobicContact CB-CZ3 4.47Å; C257-W346 WeakPolarHBondContact SG-CZ3 3.49Å
258	L	56.2	Low	49.5	Very low	1 Å²	1	40.4 Å²	40.4	1%	0.005	22%	0.22	C	C	.	.			trans	-91.3	106.7	155.6	-82.2	107.1	0	0	0	109.7	V165 C168 M169 L238 G242 F256 H260 K261 I262	V165-L258 HydrophobicContact CG1-CD2 4.4Å; C168-L258 HydrophobicContact CB-CD2 4.12Å; M169-L258 HydrophobicContact CE-CD1 3.47Å; M169-L258 VanDerWaalsContact CE-CD1 3.47Å; M169-L258 HydrophobicContact CE-CD2 3.45Å; M169-L258 VanDerWaalsContact CE-CD2 3.45Å; M169-L258 HydrophobicContact CE-CG 3.83Å; L238-L258 HydrophobicContact CD1-CD1 3.07Å; L238-L258 HydrophobicContact CG-CD1 3.76Å; G242-L258 PolarHBondContact O-N 3.1Å; F256-L258 HydrophobicContact CD1-CD1 4.36Å; F256-L258 HydrophobicContact CE1-CD1 4.09Å; F256-L258 HydrophobicContact CE1-CG 4.12Å; L258-H260 PolarHBondContact O-N 3.45Å; L258-H260 VanDerWaalsContact O-N 3.08Å; L258-K261 HydrophobicContact CB-CB 4.46Å; L258-K261 PolarHBondContact O-N 3.46Å; L258-K261 VanDerWaalsContact O-N 3.08Å; L258-I262 WeakPolarHBondContact O-CD1 3.5Å; L258-I262 VanDerWaalsContact O-CG1 3.28Å; L258-I262 WeakPolarHBondContact O-CG1 3.35Å; L258-I262 PolarHBondContact O-N 3.24Å; L258-I262 VanDerWaalsContact O-N 3.15Å
259	P	48.3	Very low	49	Very low	6 Å²	6	43.9 Å²	43.9	4%	0.039	23%	0.234	C	C	.	.	H	α-helix	trans	-53.3	-33.4	172.9	-26.3	35.9	0	0	0	112.1	C257 K261 H263 L275 Y345	C257-P259 VanDerWaalsContact O-CD 3.27Å; C257-P259 WeakPolarHBondContact O-CD 3.18Å; P259-K261 VanDerWaalsContact C-N 3.32Å; P259-K261 PolarHBondContact O-N 3.09Å; P259-H263 PolarHBondContact O-CD2 3.28Å; P259-H263 PolarHBondContact O-N 2.93Å; P259-H263 VanDerWaalsContact O-N 3.14Å; P259-L275 HydrophobicContact CB-CD2 4.01Å; P259-L275 HydrophobicContact CG-CD2 4.31Å; P259-Y345 HydrophobicContact CG-CD2 4.32Å; P259-Y345 HydrophobicContact CG-CE2 3.73Å
260	H	49.3	Very low	48.9	Very low	5 Å²	5	41.7 Å²	41.7	2%	0.023	22%	0.222	C	C	.	.	H	α-helix	trans	-61.5	-30.5	-180	-56.6	86.6	0	0	0	114.9	S164 V165 L258 Y269 P272	S164-H260 VanDerWaalsContact C-CE1 3.4Å; S164-H260 WeakPolarHBondContact CB-NE2 3.39Å; S164-H260 PolarHBondContact O-CE1 2.74Å; S164-H260 PolarHBondContact OG-NE2 2.86Å; V165-H260 HydrophobicContact CG2-CB 4.16Å; L258-H260 PolarHBondContact O-N 3.45Å; L258-H260 VanDerWaalsContact O-N 3.08Å; H260-Y269 WeakPolarHBondContact O-CD1 3.45Å; H260-P272 VanDerWaalsContact NE2-CD 3.34Å; H260-P272 WeakPolarHBondContact NE2-CD 3.41Å
261	K	47.8	Very low	48.6	Very low	23 Å²	23	38 Å²	38	10%	0.1	21%	0.206	C	C	.	.	H	α-helix	trans	-101.7	-32.2	-179.8	-83.7	-167.2	173.1	-169.2	0	112.8	S32 L238 C239 L258 P259 H263 R264	S32-K261 PolarHBondContact OG-NZ 3.42Å; L238-K261 WeakPolarHBondContact O-CD 3.41Å; L238-K261 PolarHBondContact O-NZ 2.94Å; C239-K261 PolarHBondContact O-NZ 3.27Å; L258-K261 HydrophobicContact CB-CB 4.46Å; L258-K261 PolarHBondContact O-N 3.46Å; L258-K261 VanDerWaalsContact O-N 3.08Å; P259-K261 VanDerWaalsContact C-N 3.32Å; P259-K261 PolarHBondContact O-N 3.09Å; K261-H263 VanDerWaalsContact C-N 3.29Å; K261-H263 PolarHBondContact O-N 3.36Å; K261-R264 WeakPolarHBondContact O-CB 3.42Å; K261-R264 PolarHBondContact O-N 3.31Å
262	I	47.6	Very low	48.4	Very low	31 Å²	31	31.7 Å²	31.7	16%	0.159	19%	0.186	C	C	.	.	H	α-helix	trans	-69.4	-32.4	-179.8	-64	163.4	0	0	0	110.9	V243 C257 L258 W346 G347	V243-I262 HydrophobicContact CG2-CD1 3.61Å; V243-I262 HydrophobicContact CG2-CG1 3.68Å; C257-I262 HydrophobicContact CB-CD1 3.29Å; C257-I262 WeakPolarHBondContact SG-CD1 3.5Å; L258-I262 WeakPolarHBondContact O-CD1 3.5Å; L258-I262 VanDerWaalsContact O-CG1 3.28Å; L258-I262 WeakPolarHBondContact O-CG1 3.35Å; L258-I262 PolarHBondContact O-N 3.24Å; L258-I262 VanDerWaalsContact O-N 3.15Å; I262-W346 WeakPolarHBondContact CG2-O 3.08Å; I262-G347 VanDerWaalsContact CG2-CA 3.46Å
263	H	48.4	Very low	48.3	Very low	1 Å²	1	35.2 Å²	35.2	1%	0.005	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	34.2	173.7	-64.4	-82.7	0	0	0	113.2	P259 K261 V265 I270 V344 F591	P259-H263 PolarHBondContact O-CD2 3.28Å; P259-H263 PolarHBondContact O-N 2.93Å; P259-H263 VanDerWaalsContact O-N 3.14Å; K261-H263 VanDerWaalsContact C-N 3.29Å; K261-H263 PolarHBondContact O-N 3.36Å; H263-V265 VanDerWaalsContact C-N 3.3Å; H263-V265 PolarHBondContact O-N 3.26Å; H263-I270 HydrophobicContact CB-CB 3.98Å; H263-I270 HydrophobicContact CB-CD1 3.65Å; H263-I270 HydrophobicContact CB-CG1 3.89Å; H263-V344 PolarHBondContact NE2-O 3.48Å; H263-F591 AromaticContact CE1-CD1 3.93Å; H263-F591 AromaticContact CE1-CE1 3.59Å; H263-F591 AromaticContact ND1-CD1 3.84Å; H263-F591 AromaticContact ND1-CE1 3.89Å
264	R	41.5	Very low	48.2	Very low	118 Å²	118	33.9 Å²	33.9	45%	0.445	20%	0.196	S	C	.	.			trans	-73.7	86.2	170.8	-166.3	-179.3	-168.8	156.9	9.4	109.1	D29 K261	D29-R264 IonicContact OD1-CZ 3.99Å; D29-R264 IonicContact OD1-NH1 3.8Å; D29-R264 PolarHBondContact OD1-NH1 3.08Å; D29-R264 IonicContact OD1-NH2 3.75Å; D29-R264 PolarHBondContact OD1-NH2 3.38Å; D29-R264 IonicContact OD2-CZ 3.84Å; D29-R264 IonicContact OD2-NH1 3.57Å; D29-R264 PolarHBondContact OD2-NH1 2.89Å; D29-R264 IonicContact OD2-NH2 2.79Å; K261-R264 WeakPolarHBondContact O-CB 3.42Å; K261-R264 PolarHBondContact O-N 3.31Å
265	V	41.8	Very low	48.4	Very low	22 Å²	22	33.5 Å²	33.5	13%	0.133	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-87	113	167.5	-178.3	0	0	0	0	107.1	H263 G267 N268 P594	H263-V265 VanDerWaalsContact C-N 3.3Å; H263-V265 PolarHBondContact O-N 3.26Å; V265-G267 PolarHBondContact O-N 3.45Å; V265-N268 PolarHBondContact O-N 3.21Å; V265-N268 VanDerWaalsContact O-N 3.1Å; V265-P594 HydrophobicContact CB-CG 3.99Å; V265-P594 HydrophobicContact CG1-CG 4.26Å
266	G	34.8	Very low	48.7	Very low	76 Å²	76	37.9 Å²	37.9	78%	0.784	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.8	7.9	169.9	0	0	0	0	0	117.2
267	G	39.9	Very low	48.8	Very low	30 Å²	30	45.3 Å²	45.3	31%	0.309	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	106.9	-4.5	-177.1	0	0	0	0	0	115.4	V265	V265-G267 PolarHBondContact O-N 3.45Å
268	N	42.3	Very low	48.9	Very low	55 Å²	55	45.5 Å²	45.5	29%	0.294	24%	0.241	S	C	.	.	B	Isolated β-bridge	trans	-104.2	142.5	179	-71.3	-0.6	0	0	0	112.1	V265 P594	V265-N268 PolarHBondContact O-N 3.21Å; V265-N268 VanDerWaalsContact O-N 3.1Å; N268-P594 HydrophobicContact CB-CB 3.98Å; N268-P594 HydrophobicContact CB-CG 3.82Å
269	Y	48.7	Very low	49.1	Very low	75 Å²	75	47.7 Å²	47.7	29%	0.294	25%	0.253	S	S	.	.	P	Polyproline II helix	trans	-89.1	122.6	-173.9	-62.7	-76.2	0	0	0	110.6	T31 H260 P271	T31-Y269 HydrophobicContact CG2-CD1 4.15Å; T31-Y269 HydrophobicContact CG2-CE1 3.3Å; T31-Y269 HydrophobicContact CG2-CE2 4.48Å; T31-Y269 VanDerWaalsContact CG2-CZ 3.49Å; T31-Y269 WeakPolarHBondContact CG2-OH 3.38Å; T31-Y269 PolarHBondContact OG1-OH 2.8Å; H260-Y269 WeakPolarHBondContact O-CD1 3.45Å; Y269-P271 WeakPolarHBondContact O-CD 3.32Å
270	I	52.4	Low	49.6	Very low	3 Å²	3	55.8 Å²	55.8	2%	0.015	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-77.6	120.3	166	-58	-175.3	0	0	0	108.3	H263 A274 I590 F591	H263-I270 HydrophobicContact CB-CB 3.98Å; H263-I270 HydrophobicContact CB-CD1 3.65Å; H263-I270 HydrophobicContact CB-CG1 3.89Å; I270-A274 HydrophobicContact CG2-CB 4.22Å; I270-I590 HydrophobicContact CD1-CG2 4.25Å; I270-I590 WeakPolarHBondContact CD1-O 3.33Å; I270-I590 HydrophobicContact CG1-CG2 4.41Å; I270-I590 HydrophobicContact CG2-CG2 3.59Å; I270-F591 HydrophobicContact CD1-CD1 3.93Å
271	P	46.8	Very low	50.1	Low	69 Å²	69	56.4 Å²	56.4	45%	0.448	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-67.6	141.4	175.8	26	-31.1	0	0	0	110.2	Y269 E273 A274 L275	Y269-P271 WeakPolarHBondContact O-CD 3.32Å; P271-E273 PolarHBondContact O-N 3.47Å; P271-E273 VanDerWaalsContact O-N 3.12Å; P271-A274 HydrophobicContact CG-CB 3.81Å; P271-A274 WeakPolarHBondContact O-CB 3.41Å; P271-A274 PolarHBondContact O-N 3.3Å; P271-L275 PolarHBondContact O-N 2.82Å
272	P	49.9	Very low	51	Low	29 Å²	29	56.3 Å²	56.3	19%	0.188	29%	0.293	C	S	.	.	H	α-helix	trans	-63	-22.1	-178.4	25.7	-34.4	0	0	0	112.6	H260 A274 L275 E276	H260-P272 VanDerWaalsContact NE2-CD 3.34Å; H260-P272 WeakPolarHBondContact NE2-CD 3.41Å; P272-A274 VanDerWaalsContact C-N 3.32Å; P272-L275 WeakPolarHBondContact O-CB 3.47Å; P272-L275 PolarHBondContact O-N 3.2Å; P272-E276 WeakPolarHBondContact O-CG 3.28Å; P272-E276 PolarHBondContact O-N 3.19Å
273	E	51.1	Low	51.9	Low	128 Å²	128	58.7 Å²	58.7	60%	0.598	30%	0.301	S	S	*	.	H	α-helix	trans	-68.7	-30.9	172.6	-64	-174.2	177	0	0	112.9	P271 R277	P271-E273 PolarHBondContact O-N 3.47Å; P271-E273 VanDerWaalsContact O-N 3.12Å; E273-R277 PolarHBondContact O-N 3.15Å
274	A	52.6	Low	52.6	Low	7 Å²	7	59.4 Å²	59.4	6%	0.058	31%	0.305	C	S	.	.	H	α-helix	trans	-74.9	-37.5	173.8	0	0	0	0	0	111	I270 P271 P272 R277 S278 I590	I270-A274 HydrophobicContact CG2-CB 4.22Å; P271-A274 HydrophobicContact CG-CB 3.81Å; P271-A274 WeakPolarHBondContact O-CB 3.41Å; P271-A274 PolarHBondContact O-N 3.3Å; P272-A274 VanDerWaalsContact C-N 3.32Å; A274-R277 PolarHBondContact O-N 2.88Å; A274-S278 WeakPolarHBondContact O-CB 3.35Å; A274-S278 PolarHBondContact O-N 3.4Å; A274-S278 PolarHBondContact O-OG 2.9Å; A274-I590 HydrophobicContact CB-CD1 4.01Å; A274-I590 HydrophobicContact CB-CG2 3.87Å
275	L	60.3	Low	53.9	Low	4 Å²	4	54.2 Å²	54.2	2%	0.021	29%	0.286	C	S	.	.	H	α-helix	trans	-58.9	-49.7	167.5	178.8	62.6	0	0	0	110.2	P259 P271 P272 R277 S278 L279 V344 Y345 F591	P259-L275 HydrophobicContact CB-CD2 4.01Å; P259-L275 HydrophobicContact CG-CD2 4.31Å; P271-L275 PolarHBondContact O-N 2.82Å; P272-L275 WeakPolarHBondContact O-CB 3.47Å; P272-L275 PolarHBondContact O-N 3.2Å; L275-R277 PolarHBondContact O-N 3.36Å; L275-S278 WeakPolarHBondContact CA-OG 3.04Å; L275-S278 CarbonylContact O-C 3.46Å; L275-S278 PolarHBondContact O-N 3.46Å; L275-S278 PolarHBondContact O-OG 2.69Å; L275-L279 HydrophobicContact CD1-CD1 4.39Å; L275-L279 HydrophobicContact CD1-CD2 4.35Å; L275-L279 HydrophobicContact CD1-CG 4.11Å; L275-L279 HydrophobicContact CG-CD1 4.09Å; L275-L279 HydrophobicContact CG-CG 4.22Å; L275-L279 WeakPolarHBondContact O-CB 3.37Å; L275-L279 VanDerWaalsContact O-CG 3.24Å; L275-L279 WeakPolarHBondContact O-CG 3.28Å; L275-L279 PolarHBondContact O-N 2.85Å; L275-V344 HydrophobicContact CD1-CG1 3.85Å; L275-Y345 HydrophobicContact CD2-CD2 3.93Å; L275-F591 HydrophobicContact CD1-CE1 3.85Å; L275-F591 HydrophobicContact CD1-CZ 3.67Å
276	E	56.8	Low	55.2	Low	111 Å²	111	53.6 Å²	53.6	52%	0.519	28%	0.281	S	S	.	.	H	α-helix	trans	-62.5	-38.1	177.9	-75.2	-178.5	-166.8	0	0	113.7	P272 S278 L279 K280	P272-E276 WeakPolarHBondContact O-CG 3.28Å; P272-E276 PolarHBondContact O-N 3.19Å; E276-S278 VanDerWaalsContact C-N 3.33Å; E276-L279 PolarHBondContact O-N 2.97Å; E276-K280 WeakPolarHBondContact O-CB 3.33Å; E276-K280 VanDerWaalsContact O-CG 3.31Å; E276-K280 WeakPolarHBondContact O-CG 3.3Å; E276-K280 PolarHBondContact O-N 3.14Å
277	R	55.6	Low	57	Low	158 Å²	158	50 Å²	50	60%	0.596	24%	0.244	S	C	*	.	H	α-helix	trans	-61.1	-43.3	170.6	-83.6	-170.7	-159.2	85.9	1.6	111.4	E273 A274 L275 K280 A281	E273-R277 PolarHBondContact O-N 3.15Å; A274-R277 PolarHBondContact O-N 2.88Å; L275-R277 PolarHBondContact O-N 3.36Å; R277-K280 PolarHBondContact O-N 3.36Å; R277-A281 WeakPolarHBondContact O-CB 3.27Å; R277-A281 PolarHBondContact O-N 2.91Å
278	S	55.2	Low	58.5	Low	4 Å²	4	48.8 Å²	48.8	3%	0.028	23%	0.231	C	C	.	.	H	α-helix	trans	-70.3	-32.9	178.6	73.8	0	0	0	0	113.7	A274 L275 E276 K280 A281 I282 F591	A274-S278 WeakPolarHBondContact O-CB 3.35Å; A274-S278 PolarHBondContact O-N 3.4Å; A274-S278 PolarHBondContact O-OG 2.9Å; L275-S278 WeakPolarHBondContact CA-OG 3.04Å; L275-S278 CarbonylContact O-C 3.46Å; L275-S278 PolarHBondContact O-N 3.46Å; L275-S278 PolarHBondContact O-OG 2.69Å; E276-S278 VanDerWaalsContact C-N 3.33Å; S278-K280 VanDerWaalsContact C-N 3.31Å; S278-A281 CarbonylContact O-C 3.52Å; S278-A281 PolarHBondContact O-N 3.13Å; S278-A281 VanDerWaalsContact O-N 3.17Å; S278-I282 WeakPolarHBondContact O-CG1 3.49Å; S278-I282 PolarHBondContact O-N 3.38Å; S278-F591 VanDerWaalsContact CB-CE2 3.42Å; S278-F591 WeakPolarHBondContact OG-CE2 3.25Å; S278-F591 WeakPolarHBondContact OG-CZ 3.21Å
279	L	60.1	Low	59.8	Low	47 Å²	47	46.4 Å²	46.4	25%	0.246	22%	0.218	C	C	.	.	H	α-helix	trans	-67.9	-32.1	172.5	-69.6	-178.2	0	0	0	111.7	L275 E276 A281 I282 A341 V344	L275-L279 HydrophobicContact CD1-CD1 4.39Å; L275-L279 HydrophobicContact CD1-CD2 4.35Å; L275-L279 HydrophobicContact CD1-CG 4.11Å; L275-L279 HydrophobicContact CG-CD1 4.09Å; L275-L279 HydrophobicContact CG-CG 4.22Å; L275-L279 WeakPolarHBondContact O-CB 3.37Å; L275-L279 VanDerWaalsContact O-CG 3.24Å; L275-L279 WeakPolarHBondContact O-CG 3.28Å; L275-L279 PolarHBondContact O-N 2.85Å; E276-L279 PolarHBondContact O-N 2.97Å; L279-A281 VanDerWaalsContact C-N 3.33Å; L279-I282 HydrophobicContact CD2-CD1 3.97Å; L279-I282 WeakPolarHBondContact O-CG1 3.48Å; L279-A341 VanDerWaalsContact CD2-CA 3.49Å; L279-A341 HydrophobicContact CD2-CB 3.65Å; L279-V344 HydrophobicContact CD2-CB 4.3Å; L279-V344 HydrophobicContact CD2-CG1 4.29Å
280	K	59.4	Low	60.8	Low	175 Å²	175	43.7 Å²	43.7	76%	0.761	21%	0.208	S	C	*	.	H	α-helix	trans	-77	-21.7	172.1	-72.7	172.2	-177.2	172	0	112.9	E276 R277 S278	E276-K280 WeakPolarHBondContact O-CB 3.33Å; E276-K280 VanDerWaalsContact O-CG 3.31Å; E276-K280 WeakPolarHBondContact O-CG 3.3Å; E276-K280 PolarHBondContact O-N 3.14Å; R277-K280 PolarHBondContact O-N 3.36Å; S278-K280 VanDerWaalsContact C-N 3.31Å
281	A	59.3	Low	61.2	Low	19 Å²	19	45.6 Å²	45.6	16%	0.157	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94	4.5	-179.9	0	0	0	0	0	113.7	R277 S278 L279 R283 H286 I587	R277-A281 WeakPolarHBondContact O-CB 3.27Å; R277-A281 PolarHBondContact O-N 2.91Å; S278-A281 CarbonylContact O-C 3.52Å; S278-A281 PolarHBondContact O-N 3.13Å; S278-A281 VanDerWaalsContact O-N 3.17Å; L279-A281 VanDerWaalsContact C-N 3.33Å; A281-R283 PolarHBondContact O-N 3.39Å; A281-H286 PolarHBondContact O-CE1 3.22Å; A281-I587 HydrophobicContact CB-CD1 3.57Å; A281-I587 HydrophobicContact CB-CG2 3.69Å
282	I	66.3	Low	61.8	Low	20 Å²	20	45.4 Å²	45.4	10%	0.103	21%	0.211	C	C	.	.			trans	-65.1	112.2	174.6	-47.3	-177.3	0	0	0	108.6	S278 L279 L322 F337 A341 I351	S278-I282 WeakPolarHBondContact O-CG1 3.49Å; S278-I282 PolarHBondContact O-N 3.38Å; L279-I282 HydrophobicContact CD2-CD1 3.97Å; L279-I282 WeakPolarHBondContact O-CG1 3.48Å; I282-L322 HydrophobicContact CG2-CD2 4.23Å; I282-F337 HydrophobicContact CB-CD1 4.13Å; I282-F337 HydrophobicContact CB-CE1 4.45Å; I282-F337 HydrophobicContact CG2-CD1 3.55Å; I282-F337 HydrophobicContact CG2-CE1 3.79Å; I282-A341 HydrophobicContact CD1-CB 3.97Å; I282-I351 HydrophobicContact CB-CD1 4.31Å; I282-I351 HydrophobicContact CD1-CD1 3.49Å; I282-I351 VanDerWaalsContact CD1-CD1 3.49Å; I282-I351 HydrophobicContact CG1-CD1 3.41Å; I282-I351 VanDerWaalsContact CG1-CD1 3.41Å; I282-I351 HydrophobicContact CG2-CD1 4.12Å
283	R	65.9	Low	62.1	Low	82 Å²	82	47.7 Å²	47.7	31%	0.309	23%	0.228	S	C	.	.			trans	-109.7	158.1	176.2	-68.1	-163.2	-97.2	-160.9	2.1	112.9	A281 Y285 H286 E555	A281-R283 PolarHBondContact O-N 3.39Å; R283-Y285 HydrophobicContact CB-CD1 3.73Å; R283-Y285 HydrophobicContact CB-CE1 3.33Å; R283-Y285 HydrophobicContact CB-CE2 4.18Å; R283-Y285 HydrophobicContact CB-CG 4.33Å; R283-Y285 HydrophobicContact CG-CE1 4Å; R283-Y285 VanDerWaalsContact CZ-OH 3.27Å; R283-Y285 PolarHBondContact NE-OH 3.39Å; R283-Y285 PolarHBondContact NH2-OH 3.48Å; R283-Y285 PolarHBondContact O-N 2.98Å; R283-Y285 VanDerWaalsContact O-N 3.12Å; R283-H286 WeakPolarHBondContact CA-ND1 3.48Å; R283-H286 PolarHBondContact N-CE1 2.8Å; R283-H286 VanDerWaalsContact N-CE1 3.35Å; R283-H286 PolarHBondContact N-ND1 3.25Å; R283-H286 PolarHBondContact O-N 2.85Å; R283-H286 VanDerWaalsContact O-N 3.13Å; R283-H286 PolarHBondContact O-ND1 2.8Å; R283-E555 IonicContact CZ-OE1 2.73Å; R283-E555 IonicContact CZ-OE2 2.58Å; R283-E555 VanDerWaalsContact NH1-CD 3.27Å; R283-E555 IonicContact NH1-OE1 3.86Å; R283-E555 PolarHBondContact NH1-OE1 3.34Å; R283-E555 IonicContact NH1-OE2 3.15Å; R283-E555 IonicContact NH2-OE1 3.54Å; R283-E555 PolarHBondContact NH2-OE1 3.46Å; R283-E555 IonicContact NH2-OE2 3.95Å; R283-E555 PolarHBondContact NH2-OE2 2.94Å
284	P	64.6	Low	62.3	Low	16 Å²	16	45.7 Å²	45.7	10%	0.104	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.9	-173.4	-15.4	25.3	0	0	0	114.3	H286 L322 Q323 L333 F337 Y558	P284-H286 VanDerWaalsContact C-N 3.33Å; P284-L322 WeakPolarHBondContact O-CB 3.35Å; P284-L322 PolarHBondContact O-N 3.46Å; P284-Q323 HydrophobicContact CB-CB 4.35Å; P284-Q323 PolarHBondContact O-N 2.92Å; P284-L333 HydrophobicContact CB-CD1 4.43Å; P284-L333 HydrophobicContact CB-CD2 4.11Å; P284-L333 HydrophobicContact CG-CD2 4Å; P284-F337 HydrophobicContact CB-CZ 4.22Å; P284-F337 HydrophobicContact CG-CZ 3.81Å; P284-Y558 HydrophobicContact CB-CE2 4.3Å; P284-Y558 HydrophobicContact CG-CE1 4.33Å; P284-Y558 HydrophobicContact CG-CE2 4.5Å; P284-Y558 WeakPolarHBondContact CG-OH 3.03Å
285	Y	67.6	Low	62.3	Low	9 Å²	9	53 Å²	53	4%	0.035	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-8.1	-179.4	59.5	-110.8	0	0	0	113.9	R283 F353 P354 E555 Y558	R283-Y285 HydrophobicContact CB-CD1 3.73Å; R283-Y285 HydrophobicContact CB-CE1 3.33Å; R283-Y285 HydrophobicContact CB-CE2 4.18Å; R283-Y285 HydrophobicContact CB-CG 4.33Å; R283-Y285 HydrophobicContact CG-CE1 4Å; R283-Y285 VanDerWaalsContact CZ-OH 3.27Å; R283-Y285 PolarHBondContact NE-OH 3.39Å; R283-Y285 PolarHBondContact NH2-OH 3.48Å; R283-Y285 PolarHBondContact O-N 2.98Å; R283-Y285 VanDerWaalsContact O-N 3.12Å; Y285-F353 AromaticContact CD2-CD1 3.94Å; Y285-F353 HydrophobicContact CD2-CD1 3.94Å; Y285-F353 AromaticContact CD2-CE1 3.48Å; Y285-F353 HydrophobicContact CD2-CE1 3.48Å; Y285-F353 VanDerWaalsContact CD2-CE1 3.48Å; Y285-F353 HydrophobicContact CD2-CZ 4.42Å; Y285-F353 HydrophobicContact CE2-CD1 4.16Å; Y285-F353 AromaticContact CE2-CE1 3.27Å; Y285-F353 HydrophobicContact CE2-CE1 3.27Å; Y285-F353 AromaticContact CE2-CZ 3.82Å; Y285-F353 HydrophobicContact CE2-CZ 3.82Å; Y285-P354 WeakPolarHBondContact O-CD 3.19Å; Y285-E555 HydrophobicContact CE1-CB 4.35Å; Y285-E555 HydrophobicContact CE1-CG 4.49Å; Y285-Y558 HydrophobicContact CD1-CD1 4.27Å; Y285-Y558 HydrophobicContact CD1-CG 4.07Å
286	H	70.7	Confident	62.2	Low	8 Å²	8	54.3 Å²	54.3	4%	0.037	26%	0.26	C	S	.	.			trans	-76.4	161	175.6	-61.5	100.9	0	0	0	111.3	A281 R283 P284 N321 L322 I351 F353	A281-H286 PolarHBondContact O-CE1 3.22Å; R283-H286 WeakPolarHBondContact CA-ND1 3.48Å; R283-H286 PolarHBondContact N-CE1 2.8Å; R283-H286 VanDerWaalsContact N-CE1 3.35Å; R283-H286 PolarHBondContact N-ND1 3.25Å; R283-H286 PolarHBondContact O-N 2.85Å; R283-H286 VanDerWaalsContact O-N 3.13Å; R283-H286 PolarHBondContact O-ND1 2.8Å; P284-H286 VanDerWaalsContact C-N 3.33Å; H286-N321 CarbonylContact O-C 3.6Å; H286-L322 VanDerWaalsContact O-CB 3.3Å; H286-L322 WeakPolarHBondContact O-CB 3.17Å; H286-L322 PolarHBondContact O-N 3.23Å; H286-I351 HydrophobicContact CB-CG2 3.5Å; H286-F353 AromaticContact CD2-CZ 3.95Å; H286-F353 AromaticContact NE2-CZ 3.82Å
287	A	70.6	Confident	62.4	Low	1 Å²	1	49.1 Å²	49.1	1%	0.008	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	156.4	169.5	0	0	0	0	0	110.6	K320 I352 P354	A287-K320 VanDerWaalsContact CB-O 3.29Å; A287-K320 WeakPolarHBondContact CB-O 3.48Å; A287-I352 CarbonylContact C-O 3.49Å; A287-I352 WeakPolarHBondContact CA-O 3.32Å; A287-I352 HydrophobicContact CB-CG1 4.17Å; A287-I352 PolarHBondContact N-O 3.2Å; A287-I352 PolarHBondContact O-N 2.89Å; A287-P354 HydrophobicContact CB-CB 4.16Å
288	L	71.6	Confident	62.5	Low	4 Å²	4	44 Å²	44	2%	0.021	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	124.1	177.1	-169.2	72	0	0	0	109	L312 C316 A340 L343 V344 A349	L288-L312 HydrophobicContact CD2-CD2 3.64Å; L288-C316 PolarHBondContact O-SG 3.26Å; L288-A340 HydrophobicContact CD1-CB 4.12Å; L288-L343 HydrophobicContact CD2-CD1 3.76Å; L288-V344 HydrophobicContact CD1-CG2 4.31Å; L288-A349 HydrophobicContact CD1-CB 3.51Å; L288-A349 HydrophobicContact CD2-CB 4.31Å; L288-A349 HydrophobicContact CG-CB 3.88Å
289	L	70	Confident	62.7	Low	5 Å²	5	50.7 Å²	50.7	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	121.3	173.2	-179.8	70.7	0	0	0	109.8	A318 A349 I350 I352 V422 L425 Q426	L289-A318 HydrophobicContact CD1-CB 3.69Å; L289-A349 CarbonylContact O-C 3.55Å; L289-A349 WeakPolarHBondContact O-CA 3.27Å; L289-A349 WeakPolarHBondContact O-CB 3.33Å; L289-I350 HydrophobicContact CB-CG1 3.87Å; L289-I350 HydrophobicContact CD2-CD1 3.79Å; L289-I350 HydrophobicContact CD2-CG1 3.94Å; L289-I350 HydrophobicContact CG-CG1 4.27Å; L289-I350 PolarHBondContact N-O 2.96Å; L289-I350 PolarHBondContact O-N 2.91Å; L289-I352 HydrophobicContact CB-CD1 3.74Å; L289-I352 HydrophobicContact CB-CG1 3.87Å; L289-I352 HydrophobicContact CB-CG2 4.37Å; L289-I352 HydrophobicContact CD1-CD1 4.48Å; L289-I352 HydrophobicContact CD2-CD1 4.27Å; L289-I352 HydrophobicContact CD2-CG2 4.46Å; L289-I352 HydrophobicContact CG-CD1 4.39Å; L289-V422 HydrophobicContact CD1-CG1 3.71Å; L289-L425 HydrophobicContact CD2-CB 3.65Å; L289-Q426 HydrophobicContact CD1-CG 3.9Å; L289-Q426 HydrophobicContact CD2-CB 4.42Å; L289-Q426 HydrophobicContact CD2-CG 3.82Å; L289-Q426 HydrophobicContact CG-CG 3.89Å
290	L	69.1	Low	62.5	Low	18 Å²	18	51.4 Å²	51.4	9%	0.094	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	130.2	174.9	-60.4	173.3	0	0	0	109.9	L297 I313 C316 A349 Q426	L290-L297 HydrophobicContact CB-CD1 4.04Å; L290-L297 HydrophobicContact CD1-CD1 4.31Å; L290-L297 HydrophobicContact CD2-CD1 3.98Å; L290-L297 HydrophobicContact CG-CD1 4.33Å; L290-I313 HydrophobicContact CD1-CG2 4.17Å; L290-C316 HydrophobicContact CD1-CB 3.75Å; L290-C316 HydrophobicContact CG-CB 4.2Å; L290-A349 HydrophobicContact CD2-CB 4.21Å; L290-Q426 VanDerWaalsContact O-CG 3.32Å; L290-Q426 WeakPolarHBondContact O-CG 3.21Å; L290-Q426 PolarHBondContact O-NE2 2.75Å
291	L	61.8	Low	62.5	Low	43 Å²	43	44.7 Å²	44.7	23%	0.225	23%	0.23	C	C	.	.	S	Bend	trans	-82.7	-25	-178.1	-84.6	76.7	0	0	0	112.9	K348 I350	L291-K348 PolarHBondContact N-O 3.42Å; L291-I350 HydrophobicContact CD1-CB 3.98Å; L291-I350 HydrophobicContact CD1-CG1 3.82Å; L291-I350 HydrophobicContact CD1-CG2 3.63Å; L291-I350 HydrophobicContact CD2-CG2 4.4Å
292	E	60.3	Low	62.2	Low	65 Å²	65	45.5 Å²	45.5	30%	0.304	23%	0.234	S	C	.	.	S	Bend	trans	-115.5	156.6	179.1	-75.9	172	-160.7	0	0	110	L297 Q300 K348	E292-L297 HydrophobicContact CB-CD1 4.23Å; E292-L297 HydrophobicContact CB-CD2 3.79Å; E292-L297 HydrophobicContact CB-CG 3.67Å; E292-L297 WeakPolarHBondContact O-CD1 3.5Å; E292-Q300 PolarHBondContact OE2-NE2 3.24Å; E292-Q300 PolarHBondContact OE2-OE1 3.41Å; E292-K348 IonicContact OE1-NZ 4Å; E292-K348 PolarHBondContact OE1-NZ 3.25Å; E292-K348 IonicContact OE2-NZ 2.88Å; E292-K348 PolarHBondContact OE2-NZ 2.98Å
293	S	55.5	Low	61.5	Low	77 Å²	77	53 Å²	53	54%	0.538	27%	0.273	S	S	.	.			trans	-60.7	143.4	178.7	61.8	0	0	0	0	110.6	K295 A296 L297	S293-K295 PolarHBondContact O-N 2.81Å; S293-A296 PolarHBondContact O-N 2.89Å; S293-A296 VanDerWaalsContact OG-CB 3.26Å; S293-A296 WeakPolarHBondContact OG-CB 3.34Å; S293-A296 PolarHBondContact OG-N 3.12Å; S293-L297 PolarHBondContact O-N 2.99Å
294	E	55.9	Low	60.9	Low	86 Å²	86	55.7 Å²	55.7	40%	0.402	29%	0.294	S	S	.	.	H	α-helix	trans	-45.8	-40	-179.9	-167.1	-167.5	157.1	0	0	112.6	L298 I313 K314	E294-L298 HydrophobicContact CG-CD1 4.4Å; E294-L298 WeakPolarHBondContact O-CB 3.37Å; E294-L298 WeakPolarHBondContact O-CD1 3.3Å; E294-L298 WeakPolarHBondContact O-CG 3.46Å; E294-L298 PolarHBondContact O-N 3.38Å; E294-L298 VanDerWaalsContact O-N 3.09Å; E294-I313 HydrophobicContact CG-CG2 3.78Å; E294-K314 VanDerWaalsContact OE1-CG 3.31Å; E294-K314 WeakPolarHBondContact OE1-CG 3.48Å
295	K	52.6	Low	60.6	Low	161 Å²	161	56.1 Å²	56.1	70%	0.7	30%	0.297	S	S	*	.	H	α-helix	trans	-73.8	-44.8	179.6	-60.1	-176.8	-179.2	179.1	0	112.9	S293 L297 L298 D299	S293-K295 PolarHBondContact O-N 2.81Å; K295-L297 VanDerWaalsContact C-N 3.26Å; K295-L297 PolarHBondContact O-N 2.94Å; K295-L298 PolarHBondContact O-N 2.94Å; K295-D299 VanDerWaalsContact O-CG 3.23Å; K295-D299 PolarHBondContact O-N 3.14Å
296	A	57.6	Low	60.5	Low	31 Å²	31	58.4 Å²	58.4	26%	0.256	32%	0.315	S	S	.	.	H	α-helix	trans	-67.6	-29.3	177.7	0	0	0	0	0	112.1	S293 Q300	S293-A296 PolarHBondContact O-N 2.89Å; S293-A296 VanDerWaalsContact OG-CB 3.26Å; S293-A296 WeakPolarHBondContact OG-CB 3.34Å; S293-A296 PolarHBondContact OG-N 3.12Å; A296-Q300 WeakPolarHBondContact O-CB 3.24Å; A296-Q300 WeakPolarHBondContact O-CG 3.27Å; A296-Q300 PolarHBondContact O-N 3.28Å; A296-Q300 PolarHBondContact O-NE2 3.07Å; A296-Q300 VanDerWaalsContact O-NE2 3.09Å
297	L	60.6	Low	60.5	Low	3 Å²	3	62.4 Å²	62.4	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-69.9	-46.8	172	-76.4	174.7	0	0	0	111.6	L290 E292 S293 K295 D299 Q300 L301 K348	L290-L297 HydrophobicContact CB-CD1 4.04Å; L290-L297 HydrophobicContact CD1-CD1 4.31Å; L290-L297 HydrophobicContact CD2-CD1 3.98Å; L290-L297 HydrophobicContact CG-CD1 4.33Å; E292-L297 HydrophobicContact CB-CD1 4.23Å; E292-L297 HydrophobicContact CB-CD2 3.79Å; E292-L297 HydrophobicContact CB-CG 3.67Å; E292-L297 WeakPolarHBondContact O-CD1 3.5Å; S293-L297 PolarHBondContact O-N 2.99Å; K295-L297 VanDerWaalsContact C-N 3.26Å; K295-L297 PolarHBondContact O-N 2.94Å; L297-D299 VanDerWaalsContact C-N 3.32Å; L297-D299 PolarHBondContact O-N 3.3Å; L297-Q300 CarbonylContact O-C 3.49Å; L297-Q300 PolarHBondContact O-N 2.89Å; L297-Q300 VanDerWaalsContact O-N 3.14Å; L297-L301 HydrophobicContact CB-CD1 4.41Å; L297-L301 WeakPolarHBondContact O-CB 3.43Å; L297-L301 WeakPolarHBondContact O-CD1 3.44Å; L297-L301 WeakPolarHBondContact O-CG 3.32Å; L297-L301 PolarHBondContact O-N 2.95Å; L297-K348 HydrophobicContact CD2-CB 3.72Å; L297-K348 HydrophobicContact CD2-CD 3.68Å; L297-K348 HydrophobicContact CD2-CG 3.81Å
298	L	57.8	Low	60.4	Low	51 Å²	51	63 Å²	63	27%	0.267	35%	0.346	S	S	.	.	H	α-helix	trans	-62.6	-38.2	178.4	-71.9	169.8	0	0	0	112.3	E294 K295 Q300 L301 V310 I313	E294-L298 HydrophobicContact CG-CD1 4.4Å; E294-L298 WeakPolarHBondContact O-CB 3.37Å; E294-L298 WeakPolarHBondContact O-CD1 3.3Å; E294-L298 WeakPolarHBondContact O-CG 3.46Å; E294-L298 PolarHBondContact O-N 3.38Å; E294-L298 VanDerWaalsContact O-N 3.09Å; K295-L298 PolarHBondContact O-N 2.94Å; L298-Q300 VanDerWaalsContact C-N 3.26Å; L298-Q300 PolarHBondContact O-N 3.42Å; L298-L301 HydrophobicContact CD2-CD1 4.46Å; L298-L301 PolarHBondContact O-N 2.9Å; L298-V310 HydrophobicContact CD2-CB 4.48Å; L298-V310 HydrophobicContact CD2-CG1 4.01Å; L298-V310 HydrophobicContact CD2-CG2 4.19Å; L298-I313 HydrophobicContact CG-CG2 4.48Å
299	D	58.7	Low	60.3	Low	143 Å²	143	63.4 Å²	63.4	77%	0.765	35%	0.348	S	S	*	.	H	α-helix	trans	-71.3	-23.3	176.2	-65.7	-22	0	0	0	112.8	K295 L297	K295-D299 VanDerWaalsContact O-CG 3.23Å; K295-D299 PolarHBondContact O-N 3.14Å; L297-D299 VanDerWaalsContact C-N 3.32Å; L297-D299 PolarHBondContact O-N 3.3Å
300	Q	56.3	Low	60.3	Low	62 Å²	62	65 Å²	65	29%	0.29	36%	0.358	S	S	.	.	H	α-helix	trans	-92.1	-10.7	177.4	-80.1	-178.7	55.7	0	0	113.3	R245 E292 A296 L297 L298	R245-Q300 PolarHBondContact NE-O 2.92Å; R245-Q300 PolarHBondContact NH1-O 3.11Å; R245-Q300 PolarHBondContact NH2-O 3.33Å; E292-Q300 PolarHBondContact OE2-NE2 3.24Å; E292-Q300 PolarHBondContact OE2-OE1 3.41Å; A296-Q300 WeakPolarHBondContact O-CB 3.24Å; A296-Q300 WeakPolarHBondContact O-CG 3.27Å; A296-Q300 PolarHBondContact O-N 3.28Å; A296-Q300 PolarHBondContact O-NE2 3.07Å; A296-Q300 VanDerWaalsContact O-NE2 3.09Å; L297-Q300 CarbonylContact O-C 3.49Å; L297-Q300 PolarHBondContact O-N 2.89Å; L297-Q300 VanDerWaalsContact O-N 3.14Å; L298-Q300 VanDerWaalsContact C-N 3.26Å; L298-Q300 PolarHBondContact O-N 3.42Å
301	L	58.8	Low	60.3	Low	34 Å²	34	69.3 Å²	69.3	18%	0.178	37%	0.373	C	S	.	.	S	Bend	trans	-86.1	142	-177.7	-85.1	157	0	0	0	109.8	L297 L298 M309 I313	L297-L301 HydrophobicContact CB-CD1 4.41Å; L297-L301 WeakPolarHBondContact O-CB 3.43Å; L297-L301 WeakPolarHBondContact O-CD1 3.44Å; L297-L301 WeakPolarHBondContact O-CG 3.32Å; L297-L301 PolarHBondContact O-N 2.95Å; L298-L301 HydrophobicContact CD2-CD1 4.46Å; L298-L301 PolarHBondContact O-N 2.9Å; L301-M309 HydrophobicContact CD2-CE 3.66Å; L301-M309 HydrophobicContact CD2-SD 4.16Å; L301-I313 HydrophobicContact CD1-CD1 3.35Å
302	P	53.4	Low	60.8	Low	37 Å²	37	67.2 Å²	67.2	24%	0.24	36%	0.362	C	S	.	.			trans	-45.6	146.7	171.8	-27.8	28.2	0	0	0	113.1	E253 D304 C305	E253-P302 WeakPolarHBondContact OE1-CG 3.23Å; E253-P302 WeakPolarHBondContact OE2-CA 3.29Å; E253-P302 WeakPolarHBondContact OE2-CB 3.21Å; E253-P302 WeakPolarHBondContact OE2-CG 3.45Å; P302-D304 HydrophobicContact CB-CB 4.43Å; P302-D304 PolarHBondContact O-N 3.38Å; P302-D304 VanDerWaalsContact O-N 3.1Å; P302-C305 VanDerWaalsContact CD-SG 3.58Å; P302-C305 PolarHBondContact O-N 3.39Å; P302-C305 PolarHBondContact O-SG 3.07Å
303	L	52.4	Low	61.4	Low	176 Å²	176	64.3 Å²	64.3	92%	0.921	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-18.8	167	-73.9	155.3	0	0	0	112.2	C305	L303-C305 PolarHBondContact O-N 2.86Å
304	D	52.1	Low	62.2	Low	139 Å²	139	66.6 Å²	66.6	74%	0.743	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	14.2	179.2	-69	-29	0	0	0	114.6	P302 S306	P302-D304 HydrophobicContact CB-CB 4.43Å; P302-D304 PolarHBondContact O-N 3.38Å; P302-D304 VanDerWaalsContact O-N 3.1Å; D304-S306 PolarHBondContact O-N 3.42Å
305	C	59.9	Low	62.9	Low	25 Å²	25	65.1 Å²	65.1	17%	0.169	34%	0.343	C	S	.	.			trans	-66.7	130.9	-178.6	-74	0	0	0	0	112.3	P302 L303 M309 V310	P302-C305 VanDerWaalsContact CD-SG 3.58Å; P302-C305 PolarHBondContact O-N 3.39Å; P302-C305 PolarHBondContact O-SG 3.07Å; L303-C305 PolarHBondContact O-N 2.86Å; C305-M309 HydrophobicContact CB-CE 3.58Å; C305-M309 WeakPolarHBondContact SG-CE 3.24Å; C305-V310 HydrophobicContact CB-CG2 4.43Å
306	S	65.9	Low	63.7	Low	58 Å²	58	58.7 Å²	58.7	41%	0.406	32%	0.318	S	S	.	.			trans	-57	136.2	175.6	69.5	0	0	0	0	109.8	D304 A308 M309 V310	D304-S306 PolarHBondContact O-N 3.42Å; S306-A308 PolarHBondContact O-N 2.92Å; S306-M309 PolarHBondContact O-N 3.03Å; S306-V310 PolarHBondContact O-N 2.99Å
307	P	69	Low	64	Low	91 Å²	91	59.4 Å²	59.4	59%	0.591	32%	0.321	S	S	*	.	H	α-helix	trans	-56.6	-22.2	178.1	-27.2	34.2	0	0	0	113.3	R311	P307-R311 WeakPolarHBondContact O-CB 3.48Å; P307-R311 VanDerWaalsContact O-CG 3.31Å; P307-R311 WeakPolarHBondContact O-CG 3.42Å; P307-R311 PolarHBondContact O-N 3.42Å; P307-R311 PolarHBondContact O-NE 2.95Å
308	A	70.1	Confident	64.1	Low	14 Å²	14	59.7 Å²	59.7	12%	0.116	32%	0.324	C	S	.	.	H	α-helix	trans	-63.8	-41.1	173.4	0	0	0	0	0	112.4	S306 L312 L331 I339	S306-A308 PolarHBondContact O-N 2.92Å; A308-L312 VanDerWaalsContact O-CB 3.31Å; A308-L312 WeakPolarHBondContact O-CB 3.27Å; A308-L312 PolarHBondContact O-N 3.5Å; A308-L331 HydrophobicContact CB-CD1 3.78Å; A308-L331 HydrophobicContact CB-CD2 3.83Å; A308-L331 HydrophobicContact CB-CG 4.49Å; A308-I339 HydrophobicContact CB-CD1 3.89Å
309	M	68	Low	64.4	Low	12 Å²	12	60.2 Å²	60.2	6%	0.059	33%	0.329	C	S	.	.	H	α-helix	trans	-70.5	-39.4	177.2	-174.4	164.2	57.2	0	0	111.6	L301 C305 S306 L312 I313 I339 L343	L301-M309 HydrophobicContact CD2-CE 3.66Å; L301-M309 HydrophobicContact CD2-SD 4.16Å; C305-M309 HydrophobicContact CB-CE 3.58Å; C305-M309 WeakPolarHBondContact SG-CE 3.24Å; S306-M309 PolarHBondContact O-N 3.03Å; M309-L312 PolarHBondContact O-N 3.36Å; M309-I313 HydrophobicContact CG-CD1 3.92Å; M309-I313 WeakPolarHBondContact O-CB 3.28Å; M309-I313 WeakPolarHBondContact O-CD1 3.47Å; M309-I313 VanDerWaalsContact O-CG1 3.22Å; M309-I313 WeakPolarHBondContact O-CG1 3.35Å; M309-I313 PolarHBondContact O-N 3.3Å; M309-I339 HydrophobicContact CB-CG2 4.18Å; M309-I339 HydrophobicContact CG-CG2 3.91Å; M309-I339 HydrophobicContact SD-CG2 4.41Å; M309-L343 HydrophobicContact SD-CD2 4.22Å
310	V	71.3	Confident	64.9	Low	39 Å²	39	57 Å²	57	24%	0.236	31%	0.308	C	S	.	.	H	α-helix	trans	-64.6	-43	175	178.2	0	0	0	0	111.2	L298 C305 S306 I313 K314	L298-V310 HydrophobicContact CD2-CB 4.48Å; L298-V310 HydrophobicContact CD2-CG1 4.01Å; L298-V310 HydrophobicContact CD2-CG2 4.19Å; C305-V310 HydrophobicContact CB-CG2 4.43Å; S306-V310 PolarHBondContact O-N 2.99Å; V310-I313 PolarHBondContact O-N 3.48Å; V310-K314 HydrophobicContact CG1-CD 4.29Å; V310-K314 VanDerWaalsContact O-CG 3.31Å; V310-K314 WeakPolarHBondContact O-CG 3.46Å; V310-K314 PolarHBondContact O-N 2.96Å; V310-K314 VanDerWaalsContact O-N 3.12Å
311	R	69.3	Low	65.8	Low	108 Å²	108	56.1 Å²	56.1	41%	0.408	31%	0.306	S	S	.	.	H	α-helix	trans	-61.6	-44.7	174.1	-80.5	-176.2	-87.5	144.1	-13.7	111.7	P307 K314 I315 A329	P307-R311 WeakPolarHBondContact O-CB 3.48Å; P307-R311 VanDerWaalsContact O-CG 3.31Å; P307-R311 WeakPolarHBondContact O-CG 3.42Å; P307-R311 PolarHBondContact O-N 3.42Å; P307-R311 PolarHBondContact O-NE 2.95Å; R311-K314 PolarHBondContact O-N 3.33Å; R311-I315 WeakPolarHBondContact O-CB 3.22Å; R311-I315 WeakPolarHBondContact O-CD1 3.31Å; R311-I315 VanDerWaalsContact O-CG1 3.25Å; R311-I315 WeakPolarHBondContact O-CG1 3.22Å; R311-I315 PolarHBondContact O-N 3.12Å; R311-I315 VanDerWaalsContact O-N 3.11Å; R311-A329 PolarHBondContact NH1-O 3.35Å
312	L	72	Confident	66.5	Low	0 Å²	0	54.7 Å²	54.7	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-62.4	-45.3	178.2	-169.7	151.6	0	0	0	111.6	L288 A308 M309 K314 I315 C316 L325 I336 I339 L343	L288-L312 HydrophobicContact CD2-CD2 3.64Å; A308-L312 VanDerWaalsContact O-CB 3.31Å; A308-L312 WeakPolarHBondContact O-CB 3.27Å; A308-L312 PolarHBondContact O-N 3.5Å; M309-L312 PolarHBondContact O-N 3.36Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 3.4Å; L312-I315 PolarHBondContact O-N 2.84Å; L312-C316 WeakPolarHBondContact O-CA 3.31Å; L312-C316 VanDerWaalsContact O-CB 3.25Å; L312-C316 WeakPolarHBondContact O-CB 3.48Å; L312-C316 PolarHBondContact O-N 3.4Å; L312-L325 HydrophobicContact CD1-CD2 4.28Å; L312-L325 HydrophobicContact CD2-CD2 4.15Å; L312-L325 HydrophobicContact CG-CD2 3.99Å; L312-I336 HydrophobicContact CD1-CB 4.33Å; L312-I336 HydrophobicContact CD1-CG1 3.96Å; L312-I336 HydrophobicContact CD1-CG2 3.9Å; L312-I339 HydrophobicContact CD1-CB 4.25Å; L312-I339 HydrophobicContact CD1-CD1 4.49Å; L312-I339 HydrophobicContact CD1-CG2 3.93Å; L312-I339 HydrophobicContact CD2-CG2 4.48Å; L312-L343 HydrophobicContact CD2-CD1 4.16Å
313	I	73.3	Confident	67.5	Low	3 Å²	3	56.9 Å²	56.9	2%	0.015	31%	0.305	C	S	.	.	H	α-helix	trans	-60.7	-40.6	178.8	-71.2	164.7	0	0	0	111.4	L290 E294 L298 L301 M309 V310 I315	L290-I313 HydrophobicContact CD1-CG2 4.17Å; E294-I313 HydrophobicContact CG-CG2 3.78Å; L298-I313 HydrophobicContact CG-CG2 4.48Å; L301-I313 HydrophobicContact CD1-CD1 3.35Å; M309-I313 HydrophobicContact CG-CD1 3.92Å; M309-I313 WeakPolarHBondContact O-CB 3.28Å; M309-I313 WeakPolarHBondContact O-CD1 3.47Å; M309-I313 VanDerWaalsContact O-CG1 3.22Å; M309-I313 WeakPolarHBondContact O-CG1 3.35Å; M309-I313 PolarHBondContact O-N 3.3Å; V310-I313 PolarHBondContact O-N 3.48Å; I313-I315 VanDerWaalsContact C-N 3.34Å; I313-I315 PolarHBondContact O-N 3.1Å
314	K	70.8	Confident	68.6	Low	126 Å²	126	52.8 Å²	52.8	55%	0.548	28%	0.281	S	S	.	.	H	α-helix	trans	-67.3	-30.9	177.7	-73.7	178.5	174.8	-172	0	113.9	E294 V310 R311 L312	E294-K314 VanDerWaalsContact OE1-CG 3.31Å; E294-K314 WeakPolarHBondContact OE1-CG 3.48Å; V310-K314 HydrophobicContact CG1-CD 4.29Å; V310-K314 VanDerWaalsContact O-CG 3.31Å; V310-K314 WeakPolarHBondContact O-CG 3.46Å; V310-K314 PolarHBondContact O-N 2.96Å; V310-K314 VanDerWaalsContact O-N 3.12Å; R311-K314 PolarHBondContact O-N 3.33Å; L312-K314 VanDerWaalsContact C-N 3.31Å; L312-K314 PolarHBondContact O-N 3.4Å
315	I	72.3	Confident	69.8	Low	54 Å²	54	46.4 Å²	46.4	28%	0.277	25%	0.247	S	C	.	.	H	α-helix	trans	-98.9	-11.3	-175.1	-59.4	167.8	0	0	0	111	R311 L312 I313 S317 L325 D328 A329	R311-I315 WeakPolarHBondContact O-CB 3.22Å; R311-I315 WeakPolarHBondContact O-CD1 3.31Å; R311-I315 VanDerWaalsContact O-CG1 3.25Å; R311-I315 WeakPolarHBondContact O-CG1 3.22Å; R311-I315 PolarHBondContact O-N 3.12Å; R311-I315 VanDerWaalsContact O-N 3.11Å; L312-I315 PolarHBondContact O-N 2.84Å; I313-I315 VanDerWaalsContact C-N 3.34Å; I313-I315 PolarHBondContact O-N 3.1Å; I315-S317 PolarHBondContact O-N 3.38Å; I315-S317 VanDerWaalsContact O-N 3.09Å; I315-L325 HydrophobicContact CB-CD1 4.34Å; I315-L325 HydrophobicContact CG2-CD1 3.92Å; I315-L325 WeakPolarHBondContact O-CD1 3.46Å; I315-D328 HydrophobicContact CG2-CB 3.66Å; I315-A329 HydrophobicContact CD1-CB 4.18Å
316	C	67.3	Low	70.7	Confident	27 Å²	27	45.7 Å²	45.7	18%	0.182	24%	0.243	C	C	.	.			trans	-60.7	114.1	-175.4	-160.8	0	0	0	0	111.1	L288 L290 L312	L288-C316 PolarHBondContact O-SG 3.26Å; L290-C316 HydrophobicContact CD1-CB 3.75Å; L290-C316 HydrophobicContact CG-CB 4.2Å; L312-C316 WeakPolarHBondContact O-CA 3.31Å; L312-C316 VanDerWaalsContact O-CB 3.25Å; L312-C316 WeakPolarHBondContact O-CB 3.48Å; L312-C316 PolarHBondContact O-N 3.4Å
317	S	64.5	Low	71.4	Confident	45 Å²	45	49.3 Å²	49.3	32%	0.315	25%	0.254	S	S	.	.			trans	-125.7	134	169.7	176.4	0	0	0	0	109.3	I315 V319 K320	I315-S317 PolarHBondContact O-N 3.38Å; I315-S317 VanDerWaalsContact O-N 3.09Å; S317-V319 PolarHBondContact O-N 3.04Å; S317-V319 VanDerWaalsContact O-N 3.1Å; S317-V319 PolarHBondContact OG-N 3.23Å; S317-K320 PolarHBondContact O-N 2.97Å
318	A	62.5	Low	71.9	Confident	9 Å²	9	48.6 Å²	48.6	7%	0.074	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-11.6	176.3	0	0	0	0	0	113.6	L289 I352 L355 V422	L289-A318 HydrophobicContact CD1-CB 3.69Å; A318-I352 HydrophobicContact CB-CD1 4.02Å; A318-L355 HydrophobicContact CB-CD1 4.03Å; A318-L355 HydrophobicContact CB-CG 4.32Å; A318-L355 PolarHBondContact O-N 3.45Å; A318-L355 VanDerWaalsContact O-N 3.08Å; A318-V422 HydrophobicContact CB-CG2 3.88Å
319	V	64.8	Low	72.2	Confident	62 Å²	62	48 Å²	48	38%	0.376	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-19.1	-178.6	-170.6	0	0	0	0	111.7	S317 I418	S317-V319 PolarHBondContact O-N 3.04Å; S317-V319 VanDerWaalsContact O-N 3.1Å; S317-V319 PolarHBondContact OG-N 3.23Å; V319-I418 HydrophobicContact CG2-CG2 4Å
320	K	69.5	Low	72.7	Confident	76 Å²	76	54.2 Å²	54.2	33%	0.33	27%	0.274	S	S	.	.	S	Bend	trans	-101.8	141.7	-174.2	-64.3	-176.7	177.9	-176.3	0	111.7	A287 S317 Q324 D328	A287-K320 VanDerWaalsContact CB-O 3.29Å; A287-K320 WeakPolarHBondContact CB-O 3.48Å; S317-K320 PolarHBondContact O-N 2.97Å; K320-Q324 HydrophobicContact CB-CB 4.34Å; K320-D328 VanDerWaalsContact CD-OD2 3.31Å; K320-D328 WeakPolarHBondContact CD-OD2 3.39Å; K320-D328 WeakPolarHBondContact CE-OD2 3.35Å; K320-D328 IonicContact NZ-OD2 3.66Å; K320-D328 PolarHBondContact NZ-OD2 3.08Å
321	N	75	Confident	73.2	Confident	44 Å²	44	53.5 Å²	53.5	24%	0.235	27%	0.268	C	S	.	.			trans	-70.3	156.7	172.8	-59.8	22.5	0	0	0	109.8	H286 Q323 Q324 L325 P354	H286-N321 CarbonylContact O-C 3.6Å; N321-Q323 PolarHBondContact O-N 3.49Å; N321-Q324 WeakPolarHBondContact O-CB 3.27Å; N321-Q324 PolarHBondContact O-N 3.06Å; N321-L325 PolarHBondContact O-N 3.05Å; N321-P354 WeakPolarHBondContact OD1-CB 3.45Å; N321-P354 WeakPolarHBondContact OD1-CG 3.24Å
322	L	72.6	Confident	73.9	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.016	27%	0.272	C	S	.	.	H	α-helix	trans	-60.4	-31.3	179.4	-157.5	72.4	0	0	0	112.5	I282 P284 H286 L325 A326 I336 F337	I282-L322 HydrophobicContact CG2-CD2 4.23Å; P284-L322 WeakPolarHBondContact O-CB 3.35Å; P284-L322 PolarHBondContact O-N 3.46Å; H286-L322 VanDerWaalsContact O-CB 3.3Å; H286-L322 WeakPolarHBondContact O-CB 3.17Å; H286-L322 PolarHBondContact O-N 3.23Å; L322-L325 HydrophobicContact CD1-CD2 4.06Å; L322-L325 PolarHBondContact O-N 2.95Å; L322-A326 WeakPolarHBondContact O-CB 3.48Å; L322-A326 PolarHBondContact O-N 2.99Å; L322-I336 HydrophobicContact CD1-CG2 3.36Å; L322-I336 HydrophobicContact CD2-CG2 3.86Å; L322-I336 HydrophobicContact CG-CG2 3.42Å; L322-I336 VanDerWaalsContact CG-CG2 3.42Å; L322-F337 HydrophobicContact CD2-CD1 3.3Å; L322-F337 HydrophobicContact CD2-CE1 3.23Å; L322-F337 HydrophobicContact CD2-CG 4.35Å; L322-F337 HydrophobicContact CD2-CZ 4.24Å
323	Q	74.3	Confident	74.2	Confident	83 Å²	83	53.7 Å²	53.7	39%	0.388	29%	0.285	S	S	.	.	H	α-helix	trans	-67.9	-39.6	173.3	-173.8	176.6	0.9	0	0	112.9	P284 N321 A326 Q327	P284-Q323 HydrophobicContact CB-CB 4.35Å; P284-Q323 PolarHBondContact O-N 2.92Å; N321-Q323 PolarHBondContact O-N 3.49Å; Q323-A326 WeakPolarHBondContact O-CB 3.37Å; Q323-A326 PolarHBondContact O-N 3.22Å; Q323-Q327 WeakPolarHBondContact O-CG 3Å; Q323-Q327 PolarHBondContact O-N 2.76Å
324	Q	76.9	Confident	74.4	Confident	91 Å²	91	59 Å²	59	43%	0.425	31%	0.313	S	S	.	.	H	α-helix	trans	-70.1	-39.1	174.3	-69.2	174.2	-16.8	0	0	110.3	K320 N321 A326 Q327 D328	K320-Q324 HydrophobicContact CB-CB 4.34Å; N321-Q324 WeakPolarHBondContact O-CB 3.27Å; N321-Q324 PolarHBondContact O-N 3.06Å; Q324-A326 PolarHBondContact O-N 3.11Å; Q324-Q327 PolarHBondContact O-N 2.59Å; Q324-D328 VanDerWaalsContact O-CG 3.29Å; Q324-D328 PolarHBondContact O-N 2.74Å
325	L	76.4	Confident	74.8	Confident	5 Å²	5	57.4 Å²	57.4	3%	0.026	31%	0.308	C	S	.	.	H	α-helix	trans	-59.8	-33	172.1	-167.6	68.6	0	0	0	111.7	L312 I315 N321 L322 A329	L312-L325 HydrophobicContact CD1-CD2 4.28Å; L312-L325 HydrophobicContact CD2-CD2 4.15Å; L312-L325 HydrophobicContact CG-CD2 3.99Å; I315-L325 HydrophobicContact CB-CD1 4.34Å; I315-L325 HydrophobicContact CG2-CD1 3.92Å; I315-L325 WeakPolarHBondContact O-CD1 3.46Å; N321-L325 PolarHBondContact O-N 3.05Å; L322-L325 HydrophobicContact CD1-CD2 4.06Å; L322-L325 PolarHBondContact O-N 2.95Å; L325-A329 WeakPolarHBondContact O-CB 3.47Å; L325-A329 PolarHBondContact O-N 2.74Å
326	A	78.4	Confident	75.2	Confident	10 Å²	10	54.9 Å²	54.9	8%	0.083	29%	0.294	C	S	.	.	H	α-helix	trans	-68.2	-41.4	175	0	0	0	0	0	114.2	L322 Q323 Q324 D330 L331 L333 I336	L322-A326 WeakPolarHBondContact O-CB 3.48Å; L322-A326 PolarHBondContact O-N 2.99Å; Q323-A326 WeakPolarHBondContact O-CB 3.37Å; Q323-A326 PolarHBondContact O-N 3.22Å; Q324-A326 PolarHBondContact O-N 3.11Å; A326-D330 PolarHBondContact O-N 2.83Å; A326-D330 VanDerWaalsContact O-N 3.16Å; A326-L331 PolarHBondContact O-N 3.46Å; A326-L331 VanDerWaalsContact O-N 3.16Å; A326-L333 HydrophobicContact CB-CD1 4.22Å; A326-I336 HydrophobicContact CB-CD1 3.28Å
327	Q	81.5	Confident	75.7	Confident	134 Å²	134	55.7 Å²	55.7	63%	0.626	30%	0.295	S	S	*	.	H	α-helix	trans	-67.2	-42.8	175.4	-67.8	171.1	-3.2	0	0	110.8	Q323 Q324 D330	Q323-Q327 WeakPolarHBondContact O-CG 3Å; Q323-Q327 PolarHBondContact O-N 2.76Å; Q324-Q327 PolarHBondContact O-N 2.59Å; Q327-D330 PolarHBondContact O-N 2.97Å
328	D	80.3	Confident	76.2	Confident	75 Å²	75	59.3 Å²	59.3	40%	0.401	31%	0.307	S	S	.	.	H	α-helix	trans	-70.2	-34.7	-179.3	-67.8	-21.8	0	0	0	112.9	I315 K320 Q324 D330	I315-D328 HydrophobicContact CG2-CB 3.66Å; K320-D328 VanDerWaalsContact CD-OD2 3.31Å; K320-D328 WeakPolarHBondContact CD-OD2 3.39Å; K320-D328 WeakPolarHBondContact CE-OD2 3.35Å; K320-D328 IonicContact NZ-OD2 3.66Å; K320-D328 PolarHBondContact NZ-OD2 3.08Å; Q324-D328 VanDerWaalsContact O-CG 3.29Å; Q324-D328 PolarHBondContact O-N 2.74Å; D328-D330 VanDerWaalsContact C-N 3.33Å
329	A	76.3	Confident	76.9	Confident	3 Å²	3	59.7 Å²	59.7	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-84.3	-8	179	0	0	0	0	0	113.9	R311 I315 L325 L331	R311-A329 PolarHBondContact NH1-O 3.35Å; I315-A329 HydrophobicContact CD1-CB 4.18Å; L325-A329 WeakPolarHBondContact O-CB 3.47Å; L325-A329 PolarHBondContact O-N 2.74Å; A329-L331 HydrophobicContact CB-CD1 3.97Å; A329-L331 HydrophobicContact CB-CG 4.17Å
330	D	78.7	Confident	77.3	Confident	142 Å²	142	56.8 Å²	56.8	76%	0.759	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	53.6	-172.2	-166.6	30.8	0	0	0	111.7	A326 Q327 D328	A326-D330 PolarHBondContact O-N 2.83Å; A326-D330 VanDerWaalsContact O-N 3.16Å; Q327-D330 PolarHBondContact O-N 2.97Å; D328-D330 VanDerWaalsContact C-N 3.33Å
331	L	80.4	Confident	77.5	Confident	23 Å²	23	54.2 Å²	54.2	12%	0.12	28%	0.283	C	S	.	.			trans	-130.5	148.7	-178.6	-67.6	172.6	0	0	0	110.7	A308 A326 A329 L333 I336 I339	A308-L331 HydrophobicContact CB-CD1 3.78Å; A308-L331 HydrophobicContact CB-CD2 3.83Å; A308-L331 HydrophobicContact CB-CG 4.49Å; A326-L331 PolarHBondContact O-N 3.46Å; A326-L331 VanDerWaalsContact O-N 3.16Å; A329-L331 HydrophobicContact CB-CD1 3.97Å; A329-L331 HydrophobicContact CB-CG 4.17Å; L331-L333 PolarHBondContact O-N 3.42Å; L331-I336 HydrophobicContact CB-CD1 3.81Å; L331-I336 HydrophobicContact CB-CG1 3.97Å; L331-I336 HydrophobicContact CD1-CG1 4.25Å; L331-I339 HydrophobicContact CD1-CD1 4.49Å
332	A	83.4	Confident	77.4	Confident	58 Å²	58	56.1 Å²	56.1	48%	0.479	29%	0.29	S	S	.	.			trans	-63.2	137.7	172.7	0	0	0	0	0	110.5	L334 Q335 I336	A332-L334 PolarHBondContact O-N 3.45Å; A332-L334 VanDerWaalsContact O-N 3.1Å; A332-Q335 HydrophobicContact CB-CG 4.37Å; A332-Q335 WeakPolarHBondContact O-CB 3.47Å; A332-Q335 PolarHBondContact O-N 2.92Å; A332-I336 PolarHBondContact O-N 2.86Å
333	L	79.1	Confident	77.4	Confident	55 Å²	55	56.1 Å²	56.1	29%	0.288	29%	0.29	S	S	.	.	H	α-helix	trans	-54.8	-35.3	-178.6	-173.7	67	0	0	0	112.7	P284 A326 L331 Q335 I336 F337	P284-L333 HydrophobicContact CB-CD1 4.43Å; P284-L333 HydrophobicContact CB-CD2 4.11Å; P284-L333 HydrophobicContact CG-CD2 4Å; A326-L333 HydrophobicContact CB-CD1 4.22Å; L331-L333 PolarHBondContact O-N 3.42Å; L333-Q335 PolarHBondContact O-N 2.93Å; L333-I336 PolarHBondContact O-N 3.33Å; L333-F337 HydrophobicContact CD1-CE2 4.13Å; L333-F337 HydrophobicContact CD1-CZ 4.02Å; L333-F337 HydrophobicContact CD2-CE2 3.66Å; L333-F337 HydrophobicContact CD2-CZ 3.94Å; L333-F337 HydrophobicContact CG-CD2 4.02Å; L333-F337 HydrophobicContact CG-CE2 3.43Å; L333-F337 VanDerWaalsContact CG-CE2 3.43Å; L333-F337 HydrophobicContact CG-CZ 3.8Å; L333-F337 WeakPolarHBondContact O-CD2 3.11Å; L333-F337 WeakPolarHBondContact O-CG 3.35Å; L333-F337 PolarHBondContact O-N 3.47Å
334	L	78	Confident	77.1	Confident	115 Å²	115	52.2 Å²	52.2	60%	0.602	27%	0.272	S	S	*	.	H	α-helix	trans	-62.5	-40.7	175.7	-174.2	65.8	0	0	0	112.8	A332 I336 F337 Q338	A332-L334 PolarHBondContact O-N 3.45Å; A332-L334 VanDerWaalsContact O-N 3.1Å; L334-I336 VanDerWaalsContact C-N 3.29Å; L334-I336 PolarHBondContact O-N 2.69Å; L334-F337 PolarHBondContact O-N 2.95Å; L334-Q338 WeakPolarHBondContact O-CG 3.06Å; L334-Q338 PolarHBondContact O-N 3.5Å
335	Q	79.3	Confident	76.6	Confident	92 Å²	92	50.6 Å²	50.6	43%	0.43	26%	0.262	S	S	.	.	H	α-helix	trans	-66.4	-36.9	177	-68.9	-178.1	-21.8	0	0	110.6	A332 L333 Q338 I339	A332-Q335 HydrophobicContact CB-CG 4.37Å; A332-Q335 WeakPolarHBondContact O-CB 3.47Å; A332-Q335 PolarHBondContact O-N 2.92Å; L333-Q335 PolarHBondContact O-N 2.93Å; Q335-Q338 PolarHBondContact O-N 3.17Å; Q335-I339 WeakPolarHBondContact O-CD1 3.34Å; Q335-I339 WeakPolarHBondContact O-CG1 3.32Å; Q335-I339 PolarHBondContact O-N 2.87Å
336	I	79.7	Confident	76.1	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-69.7	-39.3	177.5	-69.9	171.9	0	0	0	111.6	L312 L322 A326 L331 A332 L333 L334 Q338 I339 A340	L312-I336 HydrophobicContact CD1-CB 4.33Å; L312-I336 HydrophobicContact CD1-CG1 3.96Å; L312-I336 HydrophobicContact CD1-CG2 3.9Å; L322-I336 HydrophobicContact CD1-CG2 3.36Å; L322-I336 HydrophobicContact CD2-CG2 3.86Å; L322-I336 HydrophobicContact CG-CG2 3.42Å; L322-I336 VanDerWaalsContact CG-CG2 3.42Å; A326-I336 HydrophobicContact CB-CD1 3.28Å; L331-I336 HydrophobicContact CB-CD1 3.81Å; L331-I336 HydrophobicContact CB-CG1 3.97Å; L331-I336 HydrophobicContact CD1-CG1 4.25Å; A332-I336 PolarHBondContact O-N 2.86Å; L333-I336 PolarHBondContact O-N 3.33Å; L334-I336 VanDerWaalsContact C-N 3.29Å; L334-I336 PolarHBondContact O-N 2.69Å; I336-Q338 VanDerWaalsContact C-N 3.3Å; I336-Q338 PolarHBondContact O-N 3.38Å; I336-I339 PolarHBondContact O-N 3.36Å; I336-A340 WeakPolarHBondContact O-CB 3.47Å; I336-A340 PolarHBondContact O-N 2.83Å
337	F	77.8	Confident	75.2	Confident	44 Å²	44	51.7 Å²	51.7	19%	0.193	27%	0.267	C	S	.	.	H	α-helix	trans	-59.3	-42.8	170.9	-71.4	-48	0	0	0	111.8	I282 P284 L322 L333 L334 A341	I282-F337 HydrophobicContact CB-CD1 4.13Å; I282-F337 HydrophobicContact CB-CE1 4.45Å; I282-F337 HydrophobicContact CG2-CD1 3.55Å; I282-F337 HydrophobicContact CG2-CE1 3.79Å; P284-F337 HydrophobicContact CB-CZ 4.22Å; P284-F337 HydrophobicContact CG-CZ 3.81Å; L322-F337 HydrophobicContact CD2-CD1 3.3Å; L322-F337 HydrophobicContact CD2-CE1 3.23Å; L322-F337 HydrophobicContact CD2-CG 4.35Å; L322-F337 HydrophobicContact CD2-CZ 4.24Å; L333-F337 HydrophobicContact CD1-CE2 4.13Å; L333-F337 HydrophobicContact CD1-CZ 4.02Å; L333-F337 HydrophobicContact CD2-CE2 3.66Å; L333-F337 HydrophobicContact CD2-CZ 3.94Å; L333-F337 HydrophobicContact CG-CD2 4.02Å; L333-F337 HydrophobicContact CG-CE2 3.43Å; L333-F337 VanDerWaalsContact CG-CE2 3.43Å; L333-F337 HydrophobicContact CG-CZ 3.8Å; L333-F337 WeakPolarHBondContact O-CD2 3.11Å; L333-F337 WeakPolarHBondContact O-CG 3.35Å; L333-F337 PolarHBondContact O-N 3.47Å; L334-F337 PolarHBondContact O-N 2.95Å; F337-A341 WeakPolarHBondContact O-CB 3.29Å; F337-A341 PolarHBondContact O-N 3.39Å
338	Q	75.5	Confident	74.3	Confident	121 Å²	121	46.2 Å²	46.2	57%	0.565	24%	0.241	S	C	*	.	H	α-helix	trans	-65	-42.6	176.7	-71.5	175.8	-0.7	0	0	112.1	L334 Q335 I336 H342	L334-Q338 WeakPolarHBondContact O-CG 3.06Å; L334-Q338 PolarHBondContact O-N 3.5Å; Q335-Q338 PolarHBondContact O-N 3.17Å; I336-Q338 VanDerWaalsContact C-N 3.3Å; I336-Q338 PolarHBondContact O-N 3.38Å; Q338-H342 VanDerWaalsContact O-CB 3.28Å; Q338-H342 WeakPolarHBondContact O-CB 3.48Å; Q338-H342 PolarHBondContact O-N 3.3Å
339	I	76.6	Confident	73.7	Confident	17 Å²	17	42.7 Å²	42.7	9%	0.087	22%	0.222	C	C	.	.	H	α-helix	trans	-68.1	-44.3	178.1	-65.9	162.3	0	0	0	110.7	A308 M309 L312 L331 Q335 I336 H342 L343	A308-I339 HydrophobicContact CB-CD1 3.89Å; M309-I339 HydrophobicContact CB-CG2 4.18Å; M309-I339 HydrophobicContact CG-CG2 3.91Å; M309-I339 HydrophobicContact SD-CG2 4.41Å; L312-I339 HydrophobicContact CD1-CB 4.25Å; L312-I339 HydrophobicContact CD1-CD1 4.49Å; L312-I339 HydrophobicContact CD1-CG2 3.93Å; L312-I339 HydrophobicContact CD2-CG2 4.48Å; L331-I339 HydrophobicContact CD1-CD1 4.49Å; Q335-I339 WeakPolarHBondContact O-CD1 3.34Å; Q335-I339 WeakPolarHBondContact O-CG1 3.32Å; Q335-I339 PolarHBondContact O-N 2.87Å; I336-I339 PolarHBondContact O-N 3.36Å; I339-H342 WeakPolarHBondContact O-CB 3.48Å; I339-H342 PolarHBondContact O-N 3.21Å; I339-L343 HydrophobicContact CG2-CD1 3.95Å; I339-L343 HydrophobicContact CG2-CG 4.36Å; I339-L343 WeakPolarHBondContact O-CB 3.28Å; I339-L343 VanDerWaalsContact O-CG 3.31Å; I339-L343 WeakPolarHBondContact O-CG 3.38Å; I339-L343 PolarHBondContact O-N 3.43Å
340	A	74.6	Confident	73.2	Confident	2 Å²	2	42.7 Å²	42.7	2%	0.017	22%	0.222	C	C	.	.	H	α-helix	trans	-61.7	-46.4	175.8	0	0	0	0	0	110.8	L288 I336 H342 L343 V344	L288-A340 HydrophobicContact CD1-CB 4.12Å; I336-A340 WeakPolarHBondContact O-CB 3.47Å; I336-A340 PolarHBondContact O-N 2.83Å; A340-H342 VanDerWaalsContact C-N 3.28Å; A340-H342 PolarHBondContact O-N 3.09Å; A340-L343 PolarHBondContact O-N 3.25Å; A340-V344 WeakPolarHBondContact O-CB 3.33Å; A340-V344 WeakPolarHBondContact O-CG2 3.44Å; A340-V344 PolarHBondContact O-N 3.12Å
341	A	71.9	Confident	72.9	Confident	21 Å²	21	36.5 Å²	36.5	17%	0.174	19%	0.189	C	C	.	.	H	α-helix	trans	-58	-42.9	175	0	0	0	0	0	111.9	L279 I282 F337 Y345	L279-A341 VanDerWaalsContact CD2-CA 3.49Å; L279-A341 HydrophobicContact CD2-CB 3.65Å; I282-A341 HydrophobicContact CD1-CB 3.97Å; F337-A341 WeakPolarHBondContact O-CB 3.29Å; F337-A341 PolarHBondContact O-N 3.39Å; A341-Y345 VanDerWaalsContact O-CB 3.32Å; A341-Y345 WeakPolarHBondContact O-CB 3.47Å; A341-Y345 PolarHBondContact O-N 3.07Å
342	H	74.3	Confident	72.3	Confident	84 Å²	84	35.4 Å²	35.4	39%	0.389	18%	0.183	S	C	.	.	H	α-helix	trans	-60.6	-55.7	174.2	-170.5	-108.9	0	0	0	110.1	Q338 I339 A340 V344 Y345 W346	Q338-H342 VanDerWaalsContact O-CB 3.28Å; Q338-H342 WeakPolarHBondContact O-CB 3.48Å; Q338-H342 PolarHBondContact O-N 3.3Å; I339-H342 WeakPolarHBondContact O-CB 3.48Å; I339-H342 PolarHBondContact O-N 3.21Å; A340-H342 VanDerWaalsContact C-N 3.28Å; A340-H342 PolarHBondContact O-N 3.09Å; H342-V344 VanDerWaalsContact C-N 3.25Å; H342-V344 PolarHBondContact O-N 3.28Å; H342-Y345 WeakPolarHBondContact O-CA 3.17Å; H342-Y345 VanDerWaalsContact O-CB 3.3Å; H342-Y345 WeakPolarHBondContact O-CB 3.16Å; H342-Y345 PolarHBondContact O-N 3.12Å; H342-W346 AromaticContact CD2-CD1 3.96Å; H342-W346 AromaticContact CD2-NE1 3.25Å; H342-W346 PolarHBondContact CD2-NE1 2.78Å; H342-W346 VanDerWaalsContact CD2-NE1 3.25Å; H342-W346 AromaticContact CE1-CD1 3.55Å; H342-W346 AromaticContact CE1-CE2 3.81Å; H342-W346 AromaticContact CE1-NE1 2.95Å; H342-W346 PolarHBondContact CE1-NE1 2.85Å; H342-W346 AromaticContact CG-CD1 3.77Å; H342-W346 AromaticContact CG-NE1 3.52Å; H342-W346 AromaticContact ND1-CD1 3.5Å; H342-W346 AromaticContact ND1-NE1 3.34Å; H342-W346 PolarHBondContact ND1-NE1 2.88Å; H342-W346 AromaticContact NE2-CD1 3.82Å; H342-W346 AromaticContact NE2-CE2 3.67Å; H342-W346 AromaticContact NE2-CZ2 3.93Å; H342-W346 AromaticContact NE2-NE1 2.86Å; H342-W346 PolarHBondContact NE2-NE1 3.22Å; H342-W346 PolarHBondContact O-N 2.81Å
343	L	71.1	Confident	71.4	Confident	4 Å²	4	32.8 Å²	32.8	2%	0.021	16%	0.161	C	C	.	.	H	α-helix	trans	-57.3	-36.5	-178.8	-71	170.8	0	0	0	113.4	L288 M309 L312 I339 A340 W346 G347 K348 A349	L288-L343 HydrophobicContact CD2-CD1 3.76Å; M309-L343 HydrophobicContact SD-CD2 4.22Å; L312-L343 HydrophobicContact CD2-CD1 4.16Å; I339-L343 HydrophobicContact CG2-CD1 3.95Å; I339-L343 HydrophobicContact CG2-CG 4.36Å; I339-L343 WeakPolarHBondContact O-CB 3.28Å; I339-L343 VanDerWaalsContact O-CG 3.31Å; I339-L343 WeakPolarHBondContact O-CG 3.38Å; I339-L343 PolarHBondContact O-N 3.43Å; A340-L343 PolarHBondContact O-N 3.25Å; L343-W346 PolarHBondContact O-N 3.3Å; L343-G347 PolarHBondContact O-N 2.9Å; L343-K348 PolarHBondContact O-N 3.4Å; L343-A349 HydrophobicContact CB-CB 3.77Å; L343-A349 PolarHBondContact O-N 2.92Å
344	V	69.8	Low	70.7	Confident	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-70.4	-39.8	174.9	176.2	0	0	0	0	111	H263 L275 L279 L288 A340 H342 W346 G347 A349 I351 F591	H263-V344 PolarHBondContact NE2-O 3.48Å; L275-V344 HydrophobicContact CD1-CG1 3.85Å; L279-V344 HydrophobicContact CD2-CB 4.3Å; L279-V344 HydrophobicContact CD2-CG1 4.29Å; L288-V344 HydrophobicContact CD1-CG2 4.31Å; A340-V344 WeakPolarHBondContact O-CB 3.33Å; A340-V344 WeakPolarHBondContact O-CG2 3.44Å; A340-V344 PolarHBondContact O-N 3.12Å; H342-V344 VanDerWaalsContact C-N 3.25Å; H342-V344 PolarHBondContact O-N 3.28Å; V344-W346 VanDerWaalsContact C-N 3.29Å; V344-W346 PolarHBondContact O-N 2.84Å; V344-G347 WeakPolarHBondContact O-CA 3.45Å; V344-G347 PolarHBondContact O-N 3.26Å; V344-A349 WeakPolarHBondContact CA-O 3.42Å; V344-A349 HydrophobicContact CG2-CB 4.49Å; V344-I351 HydrophobicContact CG2-CD1 3.95Å; V344-I351 HydrophobicContact CG2-CG1 3.51Å; V344-F591 HydrophobicContact CG1-CE1 4.13Å; V344-F591 HydrophobicContact CG1-CZ 3.83Å
345	Y	65.4	Low	70	Confident	57 Å²	57	25.7 Å²	25.7	22%	0.224	12%	0.124	C	C	.	.	H	α-helix	trans	-61.2	-35.6	173.3	176.6	-92.8	0	0	0	112.9	C257 P259 L275 A341 H342 G347	C257-Y345 HydrophobicContact CB-CD1 4.36Å; C257-Y345 HydrophobicContact CB-CE1 3.81Å; P259-Y345 HydrophobicContact CG-CD2 4.32Å; P259-Y345 HydrophobicContact CG-CE2 3.73Å; L275-Y345 HydrophobicContact CD2-CD2 3.93Å; A341-Y345 VanDerWaalsContact O-CB 3.32Å; A341-Y345 WeakPolarHBondContact O-CB 3.47Å; A341-Y345 PolarHBondContact O-N 3.07Å; H342-Y345 WeakPolarHBondContact O-CA 3.17Å; H342-Y345 VanDerWaalsContact O-CB 3.3Å; H342-Y345 WeakPolarHBondContact O-CB 3.16Å; H342-Y345 PolarHBondContact O-N 3.12Å; Y345-G347 PolarHBondContact O-N 3.4Å
346	W	64.9	Low	68.9	Low	28 Å²	28	23.6 Å²	23.6	11%	0.106	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-2.7	172	-62.8	94.1	0	0	0	113.2	V243 S255 C257 I262 H342 L343 V344 K348	V243-W346 HydrophobicContact CG1-CE3 4.29Å; V243-W346 HydrophobicContact CG1-CZ3 4.25Å; S255-W346 VanDerWaalsContact C-CH2 3.48Å; C257-W346 HydrophobicContact CB-CE3 4.41Å; C257-W346 HydrophobicContact CB-CZ3 4.47Å; C257-W346 WeakPolarHBondContact SG-CZ3 3.49Å; I262-W346 WeakPolarHBondContact CG2-O 3.08Å; H342-W346 AromaticContact CD2-CD1 3.96Å; H342-W346 AromaticContact CD2-NE1 3.25Å; H342-W346 PolarHBondContact CD2-NE1 2.78Å; H342-W346 VanDerWaalsContact CD2-NE1 3.25Å; H342-W346 AromaticContact CE1-CD1 3.55Å; H342-W346 AromaticContact CE1-CE2 3.81Å; H342-W346 AromaticContact CE1-NE1 2.95Å; H342-W346 PolarHBondContact CE1-NE1 2.85Å; H342-W346 AromaticContact CG-CD1 3.77Å; H342-W346 AromaticContact CG-NE1 3.52Å; H342-W346 AromaticContact ND1-CD1 3.5Å; H342-W346 AromaticContact ND1-NE1 3.34Å; H342-W346 PolarHBondContact ND1-NE1 2.88Å; H342-W346 AromaticContact NE2-CD1 3.82Å; H342-W346 AromaticContact NE2-CE2 3.67Å; H342-W346 AromaticContact NE2-CZ2 3.93Å; H342-W346 AromaticContact NE2-NE1 2.86Å; H342-W346 PolarHBondContact NE2-NE1 3.22Å; H342-W346 PolarHBondContact O-N 2.81Å; L343-W346 PolarHBondContact O-N 3.3Å; V344-W346 VanDerWaalsContact C-N 3.29Å; V344-W346 PolarHBondContact O-N 2.84Å; W346-K348 HydrophobicContact CB-CB 4.44Å; W346-K348 HydrophobicContact CB-CG 3.86Å; W346-K348 PolarHBondContact O-N 3.45Å; W346-K348 VanDerWaalsContact O-N 3.12Å
347	G	61	Low	67.9	Low	10 Å²	10	28.4 Å²	28.4	10%	0.103	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.1	21.8	-173.3	0	0	0	0	0	114.3	I262 L343 V344 Y345	I262-G347 VanDerWaalsContact CG2-CA 3.46Å; L343-G347 PolarHBondContact O-N 2.9Å; V344-G347 WeakPolarHBondContact O-CA 3.45Å; V344-G347 PolarHBondContact O-N 3.26Å; Y345-G347 PolarHBondContact O-N 3.4Å
348	K	62.7	Low	66.9	Low	20 Å²	20	30 Å²	30	9%	0.087	15%	0.152	C	C	.	.	S	Bend	trans	-86.1	-17.8	176.7	-65.1	-52.3	-170.6	165.9	0	112	L291 E292 L297 L343 W346	L291-K348 PolarHBondContact N-O 3.42Å; E292-K348 IonicContact OE1-NZ 4Å; E292-K348 PolarHBondContact OE1-NZ 3.25Å; E292-K348 IonicContact OE2-NZ 2.88Å; E292-K348 PolarHBondContact OE2-NZ 2.98Å; L297-K348 HydrophobicContact CD2-CB 3.72Å; L297-K348 HydrophobicContact CD2-CD 3.68Å; L297-K348 HydrophobicContact CD2-CG 3.81Å; L343-K348 PolarHBondContact O-N 3.4Å; W346-K348 HydrophobicContact CB-CB 4.44Å; W346-K348 HydrophobicContact CB-CG 3.86Å; W346-K348 PolarHBondContact O-N 3.45Å; W346-K348 VanDerWaalsContact O-N 3.12Å
349	A	67.2	Low	66.3	Low	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	151.7	171.6	0	0	0	0	0	111.2	L288 L289 L290 L343 V344	L288-A349 HydrophobicContact CD1-CB 3.51Å; L288-A349 HydrophobicContact CD2-CB 4.31Å; L288-A349 HydrophobicContact CG-CB 3.88Å; L289-A349 CarbonylContact O-C 3.55Å; L289-A349 WeakPolarHBondContact O-CA 3.27Å; L289-A349 WeakPolarHBondContact O-CB 3.33Å; L290-A349 HydrophobicContact CD2-CB 4.21Å; L343-A349 HydrophobicContact CB-CB 3.77Å; L343-A349 PolarHBondContact O-N 2.92Å; V344-A349 WeakPolarHBondContact CA-O 3.42Å; V344-A349 HydrophobicContact CG2-CB 4.49Å
350	I	66.6	Low	65.6	Low	4 Å²	4	25 Å²	25	2%	0.021	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	147.4	164.7	57.9	173.3	0	0	0	108.6	L289 L291 I352	L289-I350 HydrophobicContact CB-CG1 3.87Å; L289-I350 HydrophobicContact CD2-CD1 3.79Å; L289-I350 HydrophobicContact CD2-CG1 3.94Å; L289-I350 HydrophobicContact CG-CG1 4.27Å; L289-I350 PolarHBondContact N-O 2.96Å; L289-I350 PolarHBondContact O-N 2.91Å; L291-I350 HydrophobicContact CD1-CB 3.98Å; L291-I350 HydrophobicContact CD1-CG1 3.82Å; L291-I350 HydrophobicContact CD1-CG2 3.63Å; L291-I350 HydrophobicContact CD2-CG2 4.4Å; I350-I352 HydrophobicContact CD1-CG2 3.81Å; I350-I352 HydrophobicContact CG1-CG2 3.98Å
351	I	70.8	Confident	65.2	Low	12 Å²	12	24.9 Å²	24.9	6%	0.062	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	122.8	170.9	-52.3	-178.2	0	0	0	106	I282 H286 V344 I588	I282-I351 HydrophobicContact CB-CD1 4.31Å; I282-I351 HydrophobicContact CD1-CD1 3.49Å; I282-I351 VanDerWaalsContact CD1-CD1 3.49Å; I282-I351 HydrophobicContact CG1-CD1 3.41Å; I282-I351 VanDerWaalsContact CG1-CD1 3.41Å; I282-I351 HydrophobicContact CG2-CD1 4.12Å; H286-I351 HydrophobicContact CB-CG2 3.5Å; V344-I351 HydrophobicContact CG2-CD1 3.95Å; V344-I351 HydrophobicContact CG2-CG1 3.51Å; I351-I588 WeakPolarHBondContact O-CG2 3.39Å
352	I	67.9	Low	64.6	Low	0 Å²	0	26.6 Å²	26.6	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	174.8	171.6	57	163.9	0	0	0	107.6	A287 L289 A318 I350 L355 L425	A287-I352 CarbonylContact C-O 3.49Å; A287-I352 WeakPolarHBondContact CA-O 3.32Å; A287-I352 HydrophobicContact CB-CG1 4.17Å; A287-I352 PolarHBondContact N-O 3.2Å; A287-I352 PolarHBondContact O-N 2.89Å; L289-I352 HydrophobicContact CB-CD1 3.74Å; L289-I352 HydrophobicContact CB-CG1 3.87Å; L289-I352 HydrophobicContact CB-CG2 4.37Å; L289-I352 HydrophobicContact CD1-CD1 4.48Å; L289-I352 HydrophobicContact CD2-CD1 4.27Å; L289-I352 HydrophobicContact CD2-CG2 4.46Å; L289-I352 HydrophobicContact CG-CD1 4.39Å; A318-I352 HydrophobicContact CB-CD1 4.02Å; I350-I352 HydrophobicContact CD1-CG2 3.81Å; I350-I352 HydrophobicContact CG1-CG2 3.98Å; I352-L355 HydrophobicContact CD1-CD2 4.27Å; I352-L425 HydrophobicContact CD1-CD1 4.46Å
353	F	65.6	Low	63.9	Low	3 Å²	3	24 Å²	24	1%	0.013	12%	0.123	C	C	.	.			trans	-86.3	152.9	162.8	-72.5	-102.2	0	0	0	109.3	Y285 H286 L355 H434 E554 D585 I588	Y285-F353 AromaticContact CD2-CD1 3.94Å; Y285-F353 HydrophobicContact CD2-CD1 3.94Å; Y285-F353 AromaticContact CD2-CE1 3.48Å; Y285-F353 HydrophobicContact CD2-CE1 3.48Å; Y285-F353 VanDerWaalsContact CD2-CE1 3.48Å; Y285-F353 HydrophobicContact CD2-CZ 4.42Å; Y285-F353 HydrophobicContact CE2-CD1 4.16Å; Y285-F353 AromaticContact CE2-CE1 3.27Å; Y285-F353 HydrophobicContact CE2-CE1 3.27Å; Y285-F353 AromaticContact CE2-CZ 3.82Å; Y285-F353 HydrophobicContact CE2-CZ 3.82Å; H286-F353 AromaticContact CD2-CZ 3.95Å; H286-F353 AromaticContact NE2-CZ 3.82Å; F353-L355 PolarHBondContact O-N 3.29Å; F353-H434 AromaticContact CD1-NE2 3.72Å; F353-H434 AromaticContact CD2-CE1 3.1Å; F353-H434 WeakPolarHBondContact CD2-CE1 3.31Å; F353-H434 AromaticContact CD2-NE2 3.03Å; F353-H434 WeakPolarHBondContact CD2-NE2 3.42Å; F353-H434 AromaticContact CE1-NE2 3.93Å; F353-H434 AromaticContact CE2-CE1 3.18Å; F353-H434 WeakPolarHBondContact CE2-CE1 3.48Å; F353-H434 AromaticContact CE2-ND1 3.98Å; F353-H434 AromaticContact CE2-NE2 3.27Å; F353-H434 VanDerWaalsContact CE2-NE2 3.27Å; F353-H434 WeakPolarHBondContact CE2-NE2 3.46Å; F353-H434 AromaticContact CG-CE1 3.82Å; F353-H434 AromaticContact CG-NE2 3.25Å; F353-H434 WeakPolarHBondContact CG-NE2 3.34Å; F353-H434 AromaticContact CZ-CE1 4Å; F353-H434 AromaticContact CZ-NE2 3.73Å; F353-E554 HydrophobicContact CD1-CG 4.47Å; F353-E554 HydrophobicContact CE1-CB 4.24Å; F353-D585 HydrophobicContact CE2-CB 4.32Å; F353-D585 WeakPolarHBondContact CE2-OD2 3.3Å; F353-D585 WeakPolarHBondContact CZ-OD2 3.38Å; F353-I588 HydrophobicContact CD2-CD1 3.57Å; F353-I588 HydrophobicContact CE2-CD1 3.21Å; F353-I588 HydrophobicContact CE2-CG1 4.39Å; F353-I588 HydrophobicContact CZ-CD1 4.15Å
354	P	64.5	Low	63	Low	6 Å²	6	24.1 Å²	24.1	4%	0.039	13%	0.125	C	C	.	.			trans	-51.7	135.2	176.1	26.5	-40.3	0	0	0	110.2	Y285 A287 N321 C356 N359	Y285-P354 WeakPolarHBondContact O-CD 3.19Å; A287-P354 HydrophobicContact CB-CB 4.16Å; N321-P354 WeakPolarHBondContact OD1-CB 3.45Å; N321-P354 WeakPolarHBondContact OD1-CG 3.24Å; P354-C356 PolarHBondContact O-N 3.18Å; P354-N359 PolarHBondContact O-ND2 3.23Å
355	L	62.5	Low	62.1	Low	14 Å²	14	29 Å²	29	7%	0.073	16%	0.156	C	C	.	.			trans	-68	97.6	176.7	-57	-179.5	0	0	0	110	A318 I352 F353 Y361 I418 V421 V422 L425	A318-L355 HydrophobicContact CB-CD1 4.03Å; A318-L355 HydrophobicContact CB-CG 4.32Å; A318-L355 PolarHBondContact O-N 3.45Å; A318-L355 VanDerWaalsContact O-N 3.08Å; I352-L355 HydrophobicContact CD1-CD2 4.27Å; F353-L355 PolarHBondContact O-N 3.29Å; L355-Y361 HydrophobicContact CD2-CE1 4.17Å; L355-Y361 WeakPolarHBondContact CD2-OH 3.5Å; L355-I418 HydrophobicContact CD1-CG2 4.08Å; L355-V421 HydrophobicContact CD2-CG1 4.41Å; L355-V422 HydrophobicContact CD1-CG2 3.35Å; L355-L425 HydrophobicContact CD2-CD1 3.41Å; L355-L425 VanDerWaalsContact CD2-CD1 3.41Å
356	C	57	Low	61.3	Low	49 Å²	49	30.7 Å²	30.7	33%	0.331	17%	0.166	S	C	.	.			trans	-106.2	147.3	174.7	-67.3	0	0	0	0	109.7	P354 N358 N359	P354-C356 PolarHBondContact O-N 3.18Å; C356-N358 PolarHBondContact O-N 2.79Å; C356-N359 PolarHBondContact N-ND2 2.81Å; C356-N359 WeakPolarHBondContact O-CB 3.27Å; C356-N359 PolarHBondContact O-N 2.76Å
357	E	57.3	Low	60.5	Low	101 Å²	101	29.9 Å²	29.9	47%	0.472	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-24.2	179.2	-58.6	174.5	-178.3	0	0	113.2	L401 A402 R405	E357-L401 CarbonylContact O-C 3.57Å; E357-L401 PolarHBondContact O-N 2.96Å; E357-A402 WeakPolarHBondContact O-CB 3.41Å; E357-A402 PolarHBondContact O-N 2.93Å; E357-R405 IonicContact OE1-CZ 3.75Å; E357-R405 IonicContact OE1-NH1 2.59Å; E357-R405 PolarHBondContact OE1-NH1 3.21Å; E357-R405 IonicContact OE1-NH2 3.39Å; E357-R405 IonicContact OE2-NH1 3.63Å; E357-R405 PolarHBondContact OE2-NH1 3.44Å
358	N	56.8	Low	59.9	Low	76 Å²	76	33.8 Å²	33.8	41%	0.406	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	3	-177.1	-67.2	-47.6	0	0	0	114.7	C356	C356-N358 PolarHBondContact O-N 2.79Å
359	N	63.9	Low	59.4	Low	9 Å²	9	38 Å²	38	5%	0.048	21%	0.206	C	C	.	.			trans	-81.3	139.8	178.7	-65.4	-13.8	0	0	0	110.2	P354 C356 Y361 S400 L401 Q432	P354-N359 PolarHBondContact O-ND2 3.23Å; C356-N359 PolarHBondContact N-ND2 2.81Å; C356-N359 WeakPolarHBondContact O-CB 3.27Å; C356-N359 PolarHBondContact O-N 2.76Å; N359-Y361 HydrophobicContact CB-CE2 3.63Å; N359-Y361 PolarHBondContact ND2-OH 3.22Å; N359-S400 WeakPolarHBondContact O-CA 3.44Å; N359-L401 PolarHBondContact O-N 2.67Å; N359-Q432 PolarHBondContact ND2-NE2 2.84Å
360	V	61.8	Low	58.2	Low	25 Å²	25	40.4 Å²	40.4	15%	0.152	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	128.2	-179.7	-177.3	0	0	0	0	108.3	P398 L433	V360-P398 HydrophobicContact CG1-CB 3.55Å; V360-L433 HydrophobicContact CB-CB 4.17Å; V360-L433 HydrophobicContact CG1-CB 4.23Å; V360-L433 HydrophobicContact CG1-CD1 4.12Å; V360-L433 PolarHBondContact O-N 3.48Å
361	Y	65.2	Low	57.1	Low	0 Å²	0	46 Å²	46	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	144.2	177.2	-61.9	-87.7	0	0	0	109.8	L355 N359 V399 L401 L425 L430 I431 Q432	L355-Y361 HydrophobicContact CD2-CE1 4.17Å; L355-Y361 WeakPolarHBondContact CD2-OH 3.5Å; N359-Y361 HydrophobicContact CB-CE2 3.63Å; N359-Y361 PolarHBondContact ND2-OH 3.22Å; Y361-V399 PolarHBondContact N-O 3.38Å; Y361-V399 VanDerWaalsContact N-O 3.13Å; Y361-V399 PolarHBondContact O-N 3.09Å; Y361-L401 HydrophobicContact CD2-CD1 4.13Å; Y361-L401 HydrophobicContact CD2-CD2 4.01Å; Y361-L401 HydrophobicContact CD2-CG 3.71Å; Y361-L401 HydrophobicContact CE2-CD1 3.34Å; Y361-L401 HydrophobicContact CE2-CD2 4.06Å; Y361-L401 HydrophobicContact CE2-CG 3.42Å; Y361-L401 VanDerWaalsContact CE2-CG 3.42Å; Y361-L425 HydrophobicContact CD1-CD2 4.23Å; Y361-L425 HydrophobicContact CE1-CD1 3.95Å; Y361-L425 HydrophobicContact CE1-CD2 4.16Å; Y361-L430 HydrophobicContact CD1-CB 4.47Å; Y361-I431 WeakPolarHBondContact CA-O 3.45Å; Y361-Q432 HydrophobicContact CD1-CB 4.37Å; Y361-Q432 HydrophobicContact CE1-CB 4.16Å; Y361-Q432 HydrophobicContact CE1-CG 4.06Å
362	M	59.7	Low	55.8	Low	56 Å²	56	55.6 Å²	55.6	28%	0.276	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	156	172.2	-179	167.8	73.7	0	0	109.1	P398 L430 I431 L433	M362-P398 HydrophobicContact SD-CG 3.98Å; M362-L430 CarbonylContact O-C 3.52Å; M362-L430 WeakPolarHBondContact O-CA 3.31Å; M362-I431 HydrophobicContact CB-CD1 3.75Å; M362-I431 HydrophobicContact CB-CG1 3.8Å; M362-I431 HydrophobicContact CE-CD1 3.28Å; M362-I431 HydrophobicContact CG-CD1 3.94Å; M362-I431 HydrophobicContact CG-CG1 4.4Å; M362-I431 PolarHBondContact N-O 3.26Å; M362-I431 WeakPolarHBondContact O-CG1 3.41Å; M362-I431 PolarHBondContact O-N 2.86Å; M362-I431 HydrophobicContact SD-CD1 4.44Å; M362-L433 HydrophobicContact CB-CD1 3.69Å; M362-L433 HydrophobicContact CB-CG 4.27Å; M362-L433 HydrophobicContact CE-CD1 4.22Å; M362-L433 HydrophobicContact CE-CD2 4.29Å; M362-L433 HydrophobicContact SD-CD1 4.18Å
363	L	59.4	Low	55.2	Low	30 Å²	30	56.5 Å²	56.5	16%	0.157	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	135.8	171.6	-70.7	175.8	0	0	0	110.6	L392 F395 L430	L363-L392 WeakPolarHBondContact CD1-O 3.05Å; L363-L392 HydrophobicContact CD2-CB 3.95Å; L363-L392 HydrophobicContact CD2-CD2 3.4Å; L363-L392 VanDerWaalsContact CD2-CD2 3.4Å; L363-L392 HydrophobicContact CD2-CG 4.24Å; L363-F395 HydrophobicContact CD2-CB 4.17Å; L363-F395 HydrophobicContact CG-CB 4.3Å; L363-F395 WeakPolarHBondContact CG-O 3.28Å; L363-F395 PolarHBondContact N-O 2.82Å; L363-L430 HydrophobicContact CD2-CD2 4.2Å
364	S	52.2	Low	54.6	Low	7 Å²	7	59.4 Å²	59.4	5%	0.049	32%	0.32	C	S	.	.			trans	-66.3	137.6	172.1	64.7	0	0	0	0	110	H366 A367 R428 L429	S364-H366 PolarHBondContact O-N 3.34Å; S364-A367 WeakPolarHBondContact O-CB 3.49Å; S364-A367 PolarHBondContact O-N 3.25Å; S364-A367 WeakPolarHBondContact OG-CB 3.25Å; S364-A367 PolarHBondContact OG-N 3.09Å; S364-R428 PolarHBondContact OG-O 2.99Å; S364-L429 PolarHBondContact N-O 2.95Å; S364-L429 PolarHBondContact OG-O 2.89Å
365	P	52.1	Low	54.3	Low	101 Å²	101	61 Å²	61	66%	0.656	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-20.9	178.2	-27.2	34.8	0	0	0	114.4
366	H	47.7	Very low	53.9	Low	94 Å²	94	61.2 Å²	61.2	44%	0.435	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.1	7.1	177.1	-58.1	-66.5	0	0	0	113.6	S364 N368	S364-H366 PolarHBondContact O-N 3.34Å; H366-N368 PolarHBondContact O-N 2.83Å; H366-N368 VanDerWaalsContact O-N 3.12Å
367	A	48.9	Very low	53.9	Low	11 Å²	11	65.7 Å²	65.7	9%	0.091	35%	0.346	C	S	.	.			trans	-59	119.9	176.5	0	0	0	0	0	109.1	S364 I369 L429	S364-A367 WeakPolarHBondContact O-CB 3.49Å; S364-A367 PolarHBondContact O-N 3.25Å; S364-A367 WeakPolarHBondContact OG-CB 3.25Å; S364-A367 PolarHBondContact OG-N 3.09Å; A367-I369 VanDerWaalsContact C-N 3.32Å; A367-I369 WeakPolarHBondContact O-CG1 3.47Å; A367-I369 PolarHBondContact O-N 3.21Å; A367-L429 HydrophobicContact CB-CD2 3.87Å
368	N	48.7	Very low	54	Low	92 Å²	92	64.9 Å²	64.9	49%	0.492	34%	0.342	S	S	.	.			trans	-73.3	91.5	175.4	-170	-4.6	0	0	0	108.8	H366 S370	H366-N368 PolarHBondContact O-N 2.83Å; H366-N368 VanDerWaalsContact O-N 3.12Å; N368-S370 PolarHBondContact ND2-OG 3.11Å; N368-S370 PolarHBondContact O-N 3.39Å; N368-S370 VanDerWaalsContact O-N 3.08Å; N368-S370 WeakPolarHBondContact OD1-CB 3.44Å; N368-S370 PolarHBondContact OD1-N 2.91Å; N368-S370 PolarHBondContact OD1-OG 3.35Å
369	I	52.3	Low	54.2	Low	108 Å²	108	61.3 Å²	61.3	55%	0.554	32%	0.323	S	S	*	.			trans	-70.8	6.8	177.6	-55.7	148.4	0	0	0	111.1	A367 L371	A367-I369 VanDerWaalsContact C-N 3.32Å; A367-I369 WeakPolarHBondContact O-CG1 3.47Å; A367-I369 PolarHBondContact O-N 3.21Å; I369-L371 PolarHBondContact O-N 2.91Å; I369-L371 VanDerWaalsContact O-N 3.08Å
370	S	41.4	Very low	54.1	Low	51 Å²	51	63.6 Å²	63.6	36%	0.357	34%	0.343	S	S	.	.			trans	-63.1	118.1	-177.6	57.7	0	0	0	0	112.3	N368 Y372 S373	N368-S370 PolarHBondContact ND2-OG 3.11Å; N368-S370 PolarHBondContact O-N 3.39Å; N368-S370 VanDerWaalsContact O-N 3.08Å; N368-S370 WeakPolarHBondContact OD1-CB 3.44Å; N368-S370 PolarHBondContact OD1-N 2.91Å; N368-S370 PolarHBondContact OD1-OG 3.35Å; S370-Y372 PolarHBondContact O-N 2.94Å; S370-S373 WeakPolarHBondContact O-CB 3.25Å; S370-S373 PolarHBondContact O-N 3.46Å
371	L	43.6	Very low	54	Low	121 Å²	121	70.1 Å²	70.1	63%	0.634	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-19.5	177	-63.7	164.3	0	0	0	113.8	I369 P389	I369-L371 PolarHBondContact O-N 2.91Å; I369-L371 VanDerWaalsContact O-N 3.08Å; L371-P389 HydrophobicContact CD2-CB 3.84Å; L371-P389 HydrophobicContact CD2-CG 3.42Å; L371-P389 VanDerWaalsContact CD2-CG 3.42Å
372	Y	43.1	Very low	53.7	Low	213 Å²	213	76 Å²	76	84%	0.835	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.5	13.9	-179.1	-61.9	-76.2	0	0	0	114.2	S370	S370-Y372 PolarHBondContact O-N 2.94Å
373	S	54.6	Low	53.7	Low	19 Å²	19	74.2 Å²	74.2	13%	0.133	39%	0.39	C	S	.	.			trans	-63.4	144.3	177.2	-173.5	0	0	0	0	111.2	S370 L375 A376 K377	S370-S373 WeakPolarHBondContact O-CB 3.25Å; S370-S373 PolarHBondContact O-N 3.46Å; S373-L375 PolarHBondContact O-N 2.9Å; S373-L375 WeakPolarHBondContact OG-CB 3.49Å; S373-L375 VanDerWaalsContact OG-CG 3.3Å; S373-L375 WeakPolarHBondContact OG-CG 3.31Å; S373-L375 PolarHBondContact OG-N 2.98Å; S373-A376 PolarHBondContact O-N 3.34Å; S373-K377 PolarHBondContact O-N 3.32Å
374	A	55	Low	53.3	Low	65 Å²	65	78.6 Å²	78.6	54%	0.537	42%	0.423	S	S	.	.	H	α-helix	trans	-52.8	-25.2	169	0	0	0	0	0	111.8	K377 Q378	A374-K377 PolarHBondContact O-N 2.91Å; A374-Q378 WeakPolarHBondContact O-CG 3.42Å; A374-Q378 PolarHBondContact O-N 2.88Å
375	L	56.7	Low	53.4	Low	39 Å²	39	81.7 Å²	81.7	20%	0.204	46%	0.456	C	S	.	.	H	α-helix	trans	-64.6	-43.2	174.6	-56.6	-173.4	0	0	0	112.9	S373 K377 Q378 F379 W423	S373-L375 PolarHBondContact O-N 2.9Å; S373-L375 WeakPolarHBondContact OG-CB 3.49Å; S373-L375 VanDerWaalsContact OG-CG 3.3Å; S373-L375 WeakPolarHBondContact OG-CG 3.31Å; S373-L375 PolarHBondContact OG-N 2.98Å; L375-K377 VanDerWaalsContact C-N 3.33Å; L375-K377 PolarHBondContact O-N 3.36Å; L375-Q378 PolarHBondContact O-N 3.26Å; L375-F379 WeakPolarHBondContact O-CB 3.42Å; L375-F379 PolarHBondContact O-N 3Å; L375-W423 HydrophobicContact CB-CH2 4.31Å; L375-W423 WeakPolarHBondContact O-CH2 3.31Å
376	A	53.8	Low	53.8	Low	18 Å²	18	81.4 Å²	81.4	15%	0.149	45%	0.446	C	S	.	.	H	α-helix	trans	-66.5	-37.1	178.3	0	0	0	0	0	111.4	S373 F379 A380 L388	S373-A376 PolarHBondContact O-N 3.34Å; A376-F379 PolarHBondContact O-N 2.69Å; A376-A380 WeakPolarHBondContact O-CB 3.37Å; A376-A380 PolarHBondContact O-N 2.63Å; A376-L388 HydrophobicContact CB-CD2 4.05Å
377	K	57.5	Low	54.4	Low	144 Å²	144	82.3 Å²	82.3	63%	0.626	45%	0.454	S	S	*	.	H	α-helix	trans	-67.6	-42	174.2	-65.8	-176	-179.3	179.7	0	112.3	S373 A374 L375 F379 A380 Q381	S373-K377 PolarHBondContact O-N 3.32Å; A374-K377 PolarHBondContact O-N 2.91Å; L375-K377 VanDerWaalsContact C-N 3.33Å; L375-K377 PolarHBondContact O-N 3.36Å; K377-F379 VanDerWaalsContact C-N 3.32Å; K377-A380 PolarHBondContact O-N 3.16Å; K377-Q381 WeakPolarHBondContact O-CB 3.35Å; K377-Q381 VanDerWaalsContact O-CG 3.3Å; K377-Q381 WeakPolarHBondContact O-CG 2.93Å; K377-Q381 PolarHBondContact O-N 3.1Å
378	Q	59.4	Low	55.1	Low	83 Å²	83	82.4 Å²	82.4	39%	0.388	45%	0.453	S	S	.	.	H	α-helix	trans	-67.3	-34	175.2	-73.7	179	-2.1	0	0	112.2	A374 L375 Q382 W423	A374-Q378 WeakPolarHBondContact O-CG 3.42Å; A374-Q378 PolarHBondContact O-N 2.88Å; L375-Q378 PolarHBondContact O-N 3.26Å; Q378-Q382 WeakPolarHBondContact O-CG 3.2Å; Q378-Q382 PolarHBondContact O-N 2.87Å; Q378-Q382 VanDerWaalsContact O-N 3.11Å; Q378-W423 HydrophobicContact CB-CZ2 4.45Å
379	F	62.2	Low	55.8	Low	1 Å²	1	80 Å²	80	0%	0.004	44%	0.442	C	S	.	.	H	α-helix	trans	-66.6	-48.4	174.1	-167.7	-101.4	0	0	0	111.5	L375 A376 K377 Q381 Q382 F383 H386 L388 M420 W423 M424	L375-F379 WeakPolarHBondContact O-CB 3.42Å; L375-F379 PolarHBondContact O-N 3Å; A376-F379 PolarHBondContact O-N 2.69Å; K377-F379 VanDerWaalsContact C-N 3.32Å; F379-Q381 PolarHBondContact O-N 2.9Å; F379-Q382 PolarHBondContact O-N 3.21Å; F379-Q382 VanDerWaalsContact O-N 3.12Å; F379-F383 HydrophobicContact CD1-CD2 4.47Å; F379-F383 AromaticContact CD2-CD2 3.62Å; F379-F383 HydrophobicContact CD2-CD2 3.62Å; F379-F383 AromaticContact CD2-CE2 3.9Å; F379-F383 HydrophobicContact CD2-CE2 3.9Å; F379-F383 HydrophobicContact CE1-CD2 4.38Å; F379-F383 AromaticContact CE2-CD2 3.51Å; F379-F383 HydrophobicContact CE2-CD2 3.51Å; F379-F383 AromaticContact CE2-CE2 3.71Å; F379-F383 HydrophobicContact CE2-CE2 3.71Å; F379-F383 HydrophobicContact CE2-CG 4.47Å; F379-F383 HydrophobicContact CG-CD2 4.15Å; F379-F383 AromaticContact CZ-CD2 3.94Å; F379-F383 HydrophobicContact CZ-CD2 3.94Å; F379-F383 HydrophobicContact CZ-CE2 4.46Å; F379-F383 PolarHBondContact O-N 3.05Å; F379-H386 HydrophobicContact CE1-CB 4.34Å; F379-H386 WeakPolarHBondContact CE1-O 3.45Å; F379-L388 HydrophobicContact CB-CB 4.26Å; F379-L388 HydrophobicContact CB-CD2 4.44Å; F379-L388 HydrophobicContact CD1-CB 3.67Å; F379-L388 HydrophobicContact CD1-CD1 4.26Å; F379-L388 HydrophobicContact CD2-CD1 4Å; F379-L388 HydrophobicContact CE1-CB 4.14Å; F379-L388 HydrophobicContact CE1-CD1 4.39Å; F379-L388 HydrophobicContact CE2-CD1 4.14Å; F379-L388 HydrophobicContact CG-CB 4Å; F379-L388 HydrophobicContact CG-CD1 4.02Å; F379-L388 HydrophobicContact CG-CG 4.46Å; F379-L388 HydrophobicContact CZ-CD1 4.31Å; F379-M420 HydrophobicContact CE1-CE 4.22Å; F379-M420 HydrophobicContact CE2-CB 4.47Å; F379-M420 HydrophobicContact CE2-CG 4.3Å; F379-M420 HydrophobicContact CZ-CE 3.58Å; F379-M420 HydrophobicContact CZ-CG 4.14Å; F379-W423 HydrophobicContact CB-CH2 3.62Å; F379-W423 HydrophobicContact CB-CZ2 3.79Å; F379-W423 HydrophobicContact CB-CZ3 4.23Å; F379-W423 AromaticContact CD2-CD2 3.81Å; F379-W423 HydrophobicContact CD2-CD2 3.81Å; F379-W423 AromaticContact CD2-CE2 3.98Å; F379-W423 AromaticContact CD2-CE3 3.48Å; F379-W423 HydrophobicContact CD2-CE3 3.48Å; F379-W423 VanDerWaalsContact CD2-CE3 3.48Å; F379-W423 AromaticContact CD2-CH2 3.65Å; F379-W423 HydrophobicContact CD2-CH2 3.65Å; F379-W423 AromaticContact CD2-CZ2 3.9Å; F379-W423 HydrophobicContact CD2-CZ2 3.9Å; F379-W423 AromaticContact CD2-CZ3 3.42Å; F379-W423 HydrophobicContact CD2-CZ3 3.42Å; F379-W423 VanDerWaalsContact CD2-CZ3 3.42Å; F379-W423 HydrophobicContact CE2-CD2 4.32Å; F379-W423 AromaticContact CE2-CE3 3.86Å; F379-W423 HydrophobicContact CE2-CE3 3.86Å; F379-W423 HydrophobicContact CE2-CZ3 4.1Å; F379-W423 HydrophobicContact CG-CH2 4.07Å; F379-W423 HydrophobicContact CG-CZ2 4.37Å; F379-W423 HydrophobicContact CG-CZ3 4.18Å; F379-M424 HydrophobicContact CE2-CE 4.07Å; F379-M424 HydrophobicContact CZ-CE 3.95Å
380	A	60.1	Low	56.3	Low	58 Å²	58	77.9 Å²	77.9	48%	0.479	44%	0.437	S	S	.	.	H	α-helix	trans	-63.8	-28.9	177.6	0	0	0	0	0	112.9	A376 K377	A376-A380 WeakPolarHBondContact O-CB 3.37Å; A376-A380 PolarHBondContact O-N 2.63Å; K377-A380 PolarHBondContact O-N 3.16Å
381	Q	61.2	Low	57.3	Low	161 Å²	161	76 Å²	76	75%	0.752	42%	0.423	S	S	*	.	H	α-helix	trans	-75.2	-31.6	173.5	-77.6	177	-8.7	0	0	113.3	K377 F379	K377-Q381 WeakPolarHBondContact O-CB 3.35Å; K377-Q381 VanDerWaalsContact O-CG 3.3Å; K377-Q381 WeakPolarHBondContact O-CG 2.93Å; K377-Q381 PolarHBondContact O-N 3.1Å; F379-Q381 PolarHBondContact O-N 2.9Å
382	Q	59	Low	58.4	Low	123 Å²	123	70.5 Å²	70.5	58%	0.575	39%	0.394	S	S	*	.	H	α-helix	trans	-89.8	-29.8	-179.6	-73.3	-174.8	-31.3	0	0	113.2	Q378 F379	Q378-Q382 WeakPolarHBondContact O-CG 3.2Å; Q378-Q382 PolarHBondContact O-N 2.87Å; Q378-Q382 VanDerWaalsContact O-N 3.11Å; F379-Q382 PolarHBondContact O-N 3.21Å; F379-Q382 VanDerWaalsContact O-N 3.12Å
383	F	59.4	Low	59.4	Low	20 Å²	20	63.3 Å²	63.3	9%	0.088	38%	0.379	C	S	.	.	S	Bend	trans	-124.6	87.5	178.8	-55.9	-77.7	0	0	0	108.8	F379 G385 Q419 M420 W423	F379-F383 HydrophobicContact CD1-CD2 4.47Å; F379-F383 AromaticContact CD2-CD2 3.62Å; F379-F383 HydrophobicContact CD2-CD2 3.62Å; F379-F383 AromaticContact CD2-CE2 3.9Å; F379-F383 HydrophobicContact CD2-CE2 3.9Å; F379-F383 HydrophobicContact CE1-CD2 4.38Å; F379-F383 AromaticContact CE2-CD2 3.51Å; F379-F383 HydrophobicContact CE2-CD2 3.51Å; F379-F383 AromaticContact CE2-CE2 3.71Å; F379-F383 HydrophobicContact CE2-CE2 3.71Å; F379-F383 HydrophobicContact CE2-CG 4.47Å; F379-F383 HydrophobicContact CG-CD2 4.15Å; F379-F383 AromaticContact CZ-CD2 3.94Å; F379-F383 HydrophobicContact CZ-CD2 3.94Å; F379-F383 HydrophobicContact CZ-CE2 4.46Å; F379-F383 PolarHBondContact O-N 3.05Å; F383-G385 PolarHBondContact O-N 3.24Å; F383-G385 VanDerWaalsContact O-N 3.1Å; F383-Q419 HydrophobicContact CE1-CB 4.37Å; F383-Q419 HydrophobicContact CE1-CG 4.23Å; F383-Q419 HydrophobicContact CZ-CB 4.45Å; F383-Q419 HydrophobicContact CZ-CG 4.08Å; F383-M420 HydrophobicContact CD1-CG 3.75Å; F383-M420 HydrophobicContact CD1-SD 4.42Å; F383-M420 HydrophobicContact CD2-CG 4.15Å; F383-M420 HydrophobicContact CE1-CG 3.54Å; F383-M420 HydrophobicContact CE2-CG 3.96Å; F383-M420 HydrophobicContact CG-CG 4.05Å; F383-M420 HydrophobicContact CZ-CB 4.38Å; F383-M420 HydrophobicContact CZ-CG 3.65Å; F383-W423 HydrophobicContact CE2-CB 4.37Å; F383-W423 HydrophobicContact CE2-CG 4.28Å
384	S	49.7	Very low	59.8	Low	121 Å²	121	68.1 Å²	68.1	85%	0.846	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	109.7	174.7	50.7	0	0	0	0	109.6
385	G	55.8	Low	60.1	Low	72 Å²	72	65 Å²	65	74%	0.742	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	120.7	-1.9	175.2	0	0	0	0	0	117	F383	F383-G385 PolarHBondContact O-N 3.24Å; F383-G385 VanDerWaalsContact O-N 3.1Å
386	H	58.6	Low	60.2	Low	95 Å²	95	66.4 Å²	66.4	44%	0.44	38%	0.384	S	S	.	.			trans	-128	132.4	177.5	-66.6	-50.5	0	0	0	113.5	F379 M420	F379-H386 HydrophobicContact CE1-CB 4.34Å; F379-H386 WeakPolarHBondContact CE1-O 3.45Å; H386-M420 HydrophobicContact CB-CE 3.95Å
387	D	61.3	Low	60.4	Low	114 Å²	114	71.2 Å²	71.2	61%	0.61	41%	0.407	S	S	*	.			trans	-85.7	123.3	177.1	-66.3	-31.5	0	0	0	110.8	P389 S390 M391	D387-P389 VanDerWaalsContact C-CD 3.41Å; D387-P389 VanDerWaalsContact C-N 3.34Å; D387-S390 PolarHBondContact O-N 3.28Å; D387-S390 VanDerWaalsContact O-N 3.14Å; D387-M391 PolarHBondContact O-N 3.12Å; D387-M391 VanDerWaalsContact O-N 3.12Å
388	L	63.7	Low	60.4	Low	13 Å²	13	67.4 Å²	67.4	7%	0.068	40%	0.397	C	S	.	.	H	α-helix	trans	-51.8	-44.5	176.3	-179.8	65	0	0	0	112.8	A376 F379 S390 M391 L392 W423 M424	A376-L388 HydrophobicContact CB-CD2 4.05Å; F379-L388 HydrophobicContact CB-CB 4.26Å; F379-L388 HydrophobicContact CB-CD2 4.44Å; F379-L388 HydrophobicContact CD1-CB 3.67Å; F379-L388 HydrophobicContact CD1-CD1 4.26Å; F379-L388 HydrophobicContact CD2-CD1 4Å; F379-L388 HydrophobicContact CE1-CB 4.14Å; F379-L388 HydrophobicContact CE1-CD1 4.39Å; F379-L388 HydrophobicContact CE2-CD1 4.14Å; F379-L388 HydrophobicContact CG-CB 4Å; F379-L388 HydrophobicContact CG-CD1 4.02Å; F379-L388 HydrophobicContact CG-CG 4.46Å; F379-L388 HydrophobicContact CZ-CD1 4.31Å; L388-S390 PolarHBondContact O-N 3Å; L388-M391 PolarHBondContact O-N 2.93Å; L388-L392 HydrophobicContact CD1-CD1 4.21Å; L388-L392 HydrophobicContact CD1-CG 4.16Å; L388-L392 HydrophobicContact CG-CD1 3.9Å; L388-L392 HydrophobicContact CG-CG 4.29Å; L388-L392 WeakPolarHBondContact O-CB 3.35Å; L388-L392 VanDerWaalsContact O-CG 3.27Å; L388-L392 WeakPolarHBondContact O-CG 3.44Å; L388-L392 PolarHBondContact O-N 3.25Å; L388-W423 HydrophobicContact CD1-CH2 4.42Å; L388-W423 HydrophobicContact CD1-CZ3 3.77Å; L388-W423 HydrophobicContact CD2-CH2 4.3Å; L388-W423 HydrophobicContact CD2-CZ3 4.37Å; L388-M424 HydrophobicContact CD1-CE 3.72Å
389	P	63.8	Low	60.5	Low	41 Å²	41	64.5 Å²	64.5	27%	0.266	39%	0.385	S	S	.	.	H	α-helix	trans	-64.8	-36.8	178.7	-19.9	33	0	0	0	113.2	L371 D387 M391 L392 A393	L371-P389 HydrophobicContact CD2-CB 3.84Å; L371-P389 HydrophobicContact CD2-CG 3.42Å; L371-P389 VanDerWaalsContact CD2-CG 3.42Å; D387-P389 VanDerWaalsContact C-CD 3.41Å; D387-P389 VanDerWaalsContact C-N 3.34Å; P389-M391 VanDerWaalsContact C-N 3.32Å; P389-L392 PolarHBondContact O-N 3.4Å; P389-A393 VanDerWaalsContact O-CB 3.23Å; P389-A393 WeakPolarHBondContact O-CB 3.41Å; P389-A393 PolarHBondContact O-N 2.64Å
390	S	62.4	Low	60.5	Low	64 Å²	64	65.3 Å²	65.3	45%	0.448	39%	0.391	S	S	.	.	H	α-helix	trans	-68	-34	177.5	-60	0	0	0	0	111.7	D387 L388 K394	D387-S390 PolarHBondContact O-N 3.28Å; D387-S390 VanDerWaalsContact O-N 3.14Å; L388-S390 PolarHBondContact O-N 3Å; S390-K394 WeakPolarHBondContact O-CG 3.43Å; S390-K394 PolarHBondContact O-N 3.47Å
391	M	62.8	Low	60.5	Low	12 Å²	12	63.1 Å²	63.1	6%	0.059	37%	0.371	C	S	.	.	H	α-helix	trans	-74	-44.6	172.7	-74.4	-62.1	-70.6	0	0	111.9	D387 L388 P389 A393 K394 F395 L417 M420 M424	D387-M391 PolarHBondContact O-N 3.12Å; D387-M391 VanDerWaalsContact O-N 3.12Å; L388-M391 PolarHBondContact O-N 2.93Å; P389-M391 VanDerWaalsContact C-N 3.32Å; M391-A393 VanDerWaalsContact C-N 3.3Å; M391-A393 PolarHBondContact O-N 3.32Å; M391-K394 WeakPolarHBondContact O-CB 3.5Å; M391-K394 PolarHBondContact O-N 3.36Å; M391-K394 VanDerWaalsContact O-N 3.09Å; M391-K394 HydrophobicContact SD-CD 4.15Å; M391-F395 HydrophobicContact CE-CE2 3.95Å; M391-F395 WeakPolarHBondContact O-CD2 3.42Å; M391-F395 PolarHBondContact O-N 3.08Å; M391-L417 HydrophobicContact CE-CD1 4.43Å; M391-M420 HydrophobicContact CE-CE 3.65Å; M391-M420 HydrophobicContact CG-CE 3.58Å; M391-M420 HydrophobicContact SD-CE 3.95Å; M391-M424 HydrophobicContact CB-CE 3.47Å; M391-M424 VanDerWaalsContact CB-CE 3.47Å; M391-M424 HydrophobicContact CG-CE 4.37Å
392	L	65.2	Low	60.1	Low	5 Å²	5	57.2 Å²	57.2	3%	0.026	35%	0.349	C	S	.	.	H	α-helix	trans	-59.4	-41.7	175.4	-68.5	172.1	0	0	0	111.5	L363 L388 P389 K394 F395 S396 M424 L429	L363-L392 WeakPolarHBondContact CD1-O 3.05Å; L363-L392 HydrophobicContact CD2-CB 3.95Å; L363-L392 HydrophobicContact CD2-CD2 3.4Å; L363-L392 VanDerWaalsContact CD2-CD2 3.4Å; L363-L392 HydrophobicContact CD2-CG 4.24Å; L388-L392 HydrophobicContact CD1-CD1 4.21Å; L388-L392 HydrophobicContact CD1-CG 4.16Å; L388-L392 HydrophobicContact CG-CD1 3.9Å; L388-L392 HydrophobicContact CG-CG 4.29Å; L388-L392 WeakPolarHBondContact O-CB 3.35Å; L388-L392 VanDerWaalsContact O-CG 3.27Å; L388-L392 WeakPolarHBondContact O-CG 3.44Å; L388-L392 PolarHBondContact O-N 3.25Å; P389-L392 PolarHBondContact O-N 3.4Å; L392-K394 PolarHBondContact O-N 3.25Å; L392-F395 CarbonylContact O-C 3.56Å; L392-F395 WeakPolarHBondContact O-CA 3.19Å; L392-F395 PolarHBondContact O-N 3.48Å; L392-S396 PolarHBondContact O-N 3.13Å; L392-S396 VanDerWaalsContact O-N 3.15Å; L392-M424 HydrophobicContact CD2-SD 4.32Å; L392-L429 HydrophobicContact CD2-CB 4.24Å; L392-L429 HydrophobicContact CD2-CD1 4.44Å
393	A	66	Low	60.1	Low	62 Å²	62	57.8 Å²	57.8	51%	0.512	35%	0.352	S	S	.	.	H	α-helix	trans	-59.8	-30.9	176.5	0	0	0	0	0	112.9	P389 M391 F395 S396	P389-A393 VanDerWaalsContact O-CB 3.23Å; P389-A393 WeakPolarHBondContact O-CB 3.41Å; P389-A393 PolarHBondContact O-N 2.64Å; M391-A393 VanDerWaalsContact C-N 3.3Å; M391-A393 PolarHBondContact O-N 3.32Å; A393-F395 VanDerWaalsContact C-N 3.31Å; A393-S396 PolarHBondContact O-N 3.09Å; A393-S396 PolarHBondContact O-OG 2.83Å
394	K	62.7	Low	59.8	Low	119 Å²	119	58.5 Å²	58.5	52%	0.517	36%	0.355	S	S	.	.	H	α-helix	trans	-73.5	-24.3	174	-63.5	170.2	-175.9	-178.1	0	112.8	S390 M391 L392 F404	S390-K394 WeakPolarHBondContact O-CG 3.43Å; S390-K394 PolarHBondContact O-N 3.47Å; M391-K394 WeakPolarHBondContact O-CB 3.5Å; M391-K394 PolarHBondContact O-N 3.36Å; M391-K394 VanDerWaalsContact O-N 3.09Å; M391-K394 HydrophobicContact SD-CD 4.15Å; L392-K394 PolarHBondContact O-N 3.25Å; K394-F404 HydrophobicContact CB-CE1 3.53Å; K394-F404 HydrophobicContact CB-CZ 3.83Å; K394-F404 HydrophobicContact CD-CE1 4.01Å; K394-F404 HydrophobicContact CG-CE1 4.34Å
395	F	61.7	Low	59.9	Low	0 Å²	0	57.2 Å²	57.2	0%	0	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	6.1	176.6	-66.6	-72.1	0	0	0	113.5	L363 M391 L392 A393 L397 L401 F404 V421 M424 L430	L363-F395 HydrophobicContact CD2-CB 4.17Å; L363-F395 HydrophobicContact CG-CB 4.3Å; L363-F395 WeakPolarHBondContact CG-O 3.28Å; L363-F395 PolarHBondContact N-O 2.82Å; M391-F395 HydrophobicContact CE-CE2 3.95Å; M391-F395 WeakPolarHBondContact O-CD2 3.42Å; M391-F395 PolarHBondContact O-N 3.08Å; L392-F395 CarbonylContact O-C 3.56Å; L392-F395 WeakPolarHBondContact O-CA 3.19Å; L392-F395 PolarHBondContact O-N 3.48Å; A393-F395 VanDerWaalsContact C-N 3.31Å; F395-L397 CarbonylContact C-O 3.56Å; F395-L397 PolarHBondContact O-N 3.45Å; F395-L401 HydrophobicContact CE1-CD2 4.4Å; F395-F404 AromaticContact CD1-CE2 3.64Å; F395-F404 HydrophobicContact CD1-CE2 3.64Å; F395-F404 AromaticContact CD1-CZ 3.59Å; F395-F404 HydrophobicContact CD1-CZ 3.59Å; F395-F404 HydrophobicContact CD2-CZ 4.4Å; F395-F404 AromaticContact CE1-CD2 3.96Å; F395-F404 HydrophobicContact CE1-CD2 3.96Å; F395-F404 HydrophobicContact CE1-CE1 4.21Å; F395-F404 AromaticContact CE1-CE2 3.19Å; F395-F404 HydrophobicContact CE1-CE2 3.19Å; F395-F404 AromaticContact CE1-CZ 3.36Å; F395-F404 HydrophobicContact CE1-CZ 3.36Å; F395-F404 HydrophobicContact CE2-CE1 4.44Å; F395-F404 HydrophobicContact CE2-CZ 4.18Å; F395-F404 HydrophobicContact CG-CZ 4.1Å; F395-F404 HydrophobicContact CZ-CD2 4.36Å; F395-F404 HydrophobicContact CZ-CE1 4.07Å; F395-F404 AromaticContact CZ-CE2 3.82Å; F395-F404 HydrophobicContact CZ-CE2 3.82Å; F395-F404 AromaticContact CZ-CZ 3.66Å; F395-F404 HydrophobicContact CZ-CZ 3.66Å; F395-V421 HydrophobicContact CZ-CG2 3.92Å; F395-M424 HydrophobicContact CD2-SD 4.23Å; F395-M424 HydrophobicContact CE2-SD 4.12Å; F395-L430 HydrophobicContact CB-CD2 3.66Å; F395-L430 HydrophobicContact CD1-CD2 4.15Å; F395-L430 HydrophobicContact CD2-CD2 4.22Å; F395-L430 HydrophobicContact CG-CD2 3.77Å
396	S	58.7	Low	59.7	Low	68 Å²	68	58.3 Å²	58.3	48%	0.476	32%	0.321	S	S	.	.	S	Bend	trans	-68.4	-21.3	179.7	68.9	0	0	0	0	113.3	L392 A393	L392-S396 PolarHBondContact O-N 3.13Å; L392-S396 VanDerWaalsContact O-N 3.15Å; A393-S396 PolarHBondContact O-N 3.09Å; A393-S396 PolarHBondContact O-OG 2.83Å
397	L	57.5	Low	59.4	Low	120 Å²	120	60.2 Å²	60.2	63%	0.628	34%	0.341	S	S	*	.	S	Bend	trans	-103.4	152.9	169.7	-72.8	151.8	0	0	0	108.8	F395 V399	F395-L397 CarbonylContact C-O 3.56Å; F395-L397 PolarHBondContact O-N 3.45Å; L397-V399 HydrophobicContact CB-CG2 4.15Å; L397-V399 WeakPolarHBondContact O-CG2 3.41Å; L397-V399 PolarHBondContact O-N 2.94Å
398	P	57.7	Low	58.6	Low	64 Å²	64	63 Å²	63	42%	0.416	36%	0.356	S	S	.	.			trans	-61	97.4	170.5	-21.2	33.2	0	0	0	110.1	V360 M362 L433	V360-P398 HydrophobicContact CG1-CB 3.55Å; M362-P398 HydrophobicContact SD-CG 3.98Å; P398-L433 HydrophobicContact CB-CD1 3.81Å; P398-L433 HydrophobicContact CG-CD1 4.05Å
399	V	60.8	Low	57.7	Low	21 Å²	21	66.5 Å²	66.5	13%	0.127	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	135	-177.3	-179.4	0	0	0	0	109.1	Y361 L397 E403 F404	Y361-V399 PolarHBondContact N-O 3.38Å; Y361-V399 VanDerWaalsContact N-O 3.13Å; Y361-V399 PolarHBondContact O-N 3.09Å; L397-V399 HydrophobicContact CB-CG2 4.15Å; L397-V399 WeakPolarHBondContact O-CG2 3.41Å; L397-V399 PolarHBondContact O-N 2.94Å; V399-E403 HydrophobicContact CG1-CB 3.71Å; V399-F404 HydrophobicContact CB-CE2 3.66Å; V399-F404 HydrophobicContact CB-CZ 4.24Å; V399-F404 HydrophobicContact CG1-CD2 3.67Å; V399-F404 HydrophobicContact CG1-CE2 3.22Å; V399-F404 HydrophobicContact CG1-CZ 3.93Å
400	S	61.5	Low	57.1	Low	18 Å²	18	66.9 Å²	66.9	13%	0.126	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	144.1	173.6	66.9	0	0	0	0	110.6	N359 A402 E403 F404	N359-S400 WeakPolarHBondContact O-CA 3.44Å; S400-A402 PolarHBondContact O-N 2.73Å; S400-A402 VanDerWaalsContact O-N 3.08Å; S400-E403 PolarHBondContact O-N 3.08Å; S400-E403 WeakPolarHBondContact OG-CG 3.03Å; S400-E403 PolarHBondContact OG-N 3.1Å; S400-E403 PolarHBondContact OG-OE1 3.36Å; S400-F404 WeakPolarHBondContact O-CD2 3.15Å
401	L	60	Low	56.8	Low	12 Å²	12	68.8 Å²	68.8	6%	0.063	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-58	-25.1	175.5	-72	175.9	0	0	0	112.8	E357 N359 Y361 F395 F404 L417 V421	E357-L401 CarbonylContact O-C 3.57Å; E357-L401 PolarHBondContact O-N 2.96Å; N359-L401 PolarHBondContact O-N 2.67Å; Y361-L401 HydrophobicContact CD2-CD1 4.13Å; Y361-L401 HydrophobicContact CD2-CD2 4.01Å; Y361-L401 HydrophobicContact CD2-CG 3.71Å; Y361-L401 HydrophobicContact CE2-CD1 3.34Å; Y361-L401 HydrophobicContact CE2-CD2 4.06Å; Y361-L401 HydrophobicContact CE2-CG 3.42Å; Y361-L401 VanDerWaalsContact CE2-CG 3.42Å; F395-L401 HydrophobicContact CE1-CD2 4.4Å; L401-F404 WeakPolarHBondContact O-CB 3.48Å; L401-F404 PolarHBondContact O-N 3.37Å; L401-L417 HydrophobicContact CD2-CD2 4.19Å; L401-V421 HydrophobicContact CD2-CG1 4.46Å; L401-V421 HydrophobicContact CD2-CG2 3.85Å
402	A	53.5	Low	56.6	Low	37 Å²	37	71.1 Å²	71.1	31%	0.306	41%	0.41	S	S	.	.	G	3₁₀ helix	trans	-64.3	-34.2	174.2	0	0	0	0	0	113.4	E357 S400 F404 R405	E357-A402 WeakPolarHBondContact O-CB 3.41Å; E357-A402 PolarHBondContact O-N 2.93Å; S400-A402 PolarHBondContact O-N 2.73Å; S400-A402 VanDerWaalsContact O-N 3.08Å; A402-F404 PolarHBondContact O-N 2.89Å; A402-R405 WeakPolarHBondContact O-CB 3.43Å; A402-R405 PolarHBondContact O-N 2.82Å; A402-R405 VanDerWaalsContact O-N 3.09Å
403	E	58.8	Low	56.4	Low	136 Å²	136	74.6 Å²	74.6	64%	0.636	43%	0.426	S	S	*	.	G	3₁₀ helix	trans	-72.5	-19.1	177	-76.9	161.6	-122.8	0	0	112.7	V399 S400 R405	V399-E403 HydrophobicContact CG1-CB 3.71Å; S400-E403 PolarHBondContact O-N 3.08Å; S400-E403 WeakPolarHBondContact OG-CG 3.03Å; S400-E403 PolarHBondContact OG-N 3.1Å; S400-E403 PolarHBondContact OG-OE1 3.36Å; E403-R405 VanDerWaalsContact C-N 3.32Å
404	F	54.1	Low	56.2	Low	35 Å²	35	74.1 Å²	74.1	15%	0.154	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-81.2	-11.4	170	-72.6	-84	0	0	0	113.3	K394 F395 V399 S400 L401 A402 N406 L417	K394-F404 HydrophobicContact CB-CE1 3.53Å; K394-F404 HydrophobicContact CB-CZ 3.83Å; K394-F404 HydrophobicContact CD-CE1 4.01Å; K394-F404 HydrophobicContact CG-CE1 4.34Å; F395-F404 AromaticContact CD1-CE2 3.64Å; F395-F404 HydrophobicContact CD1-CE2 3.64Å; F395-F404 AromaticContact CD1-CZ 3.59Å; F395-F404 HydrophobicContact CD1-CZ 3.59Å; F395-F404 HydrophobicContact CD2-CZ 4.4Å; F395-F404 AromaticContact CE1-CD2 3.96Å; F395-F404 HydrophobicContact CE1-CD2 3.96Å; F395-F404 HydrophobicContact CE1-CE1 4.21Å; F395-F404 AromaticContact CE1-CE2 3.19Å; F395-F404 HydrophobicContact CE1-CE2 3.19Å; F395-F404 AromaticContact CE1-CZ 3.36Å; F395-F404 HydrophobicContact CE1-CZ 3.36Å; F395-F404 HydrophobicContact CE2-CE1 4.44Å; F395-F404 HydrophobicContact CE2-CZ 4.18Å; F395-F404 HydrophobicContact CG-CZ 4.1Å; F395-F404 HydrophobicContact CZ-CD2 4.36Å; F395-F404 HydrophobicContact CZ-CE1 4.07Å; F395-F404 AromaticContact CZ-CE2 3.82Å; F395-F404 HydrophobicContact CZ-CE2 3.82Å; F395-F404 AromaticContact CZ-CZ 3.66Å; F395-F404 HydrophobicContact CZ-CZ 3.66Å; V399-F404 HydrophobicContact CB-CE2 3.66Å; V399-F404 HydrophobicContact CB-CZ 4.24Å; V399-F404 HydrophobicContact CG1-CD2 3.67Å; V399-F404 HydrophobicContact CG1-CE2 3.22Å; V399-F404 HydrophobicContact CG1-CZ 3.93Å; S400-F404 WeakPolarHBondContact O-CD2 3.15Å; L401-F404 WeakPolarHBondContact O-CB 3.48Å; L401-F404 PolarHBondContact O-N 3.37Å; A402-F404 PolarHBondContact O-N 2.89Å; F404-N406 PolarHBondContact O-N 2.77Å; F404-L417 HydrophobicContact CB-CD1 4.11Å
405	R	50.9	Low	56.3	Low	93 Å²	93	71.2 Å²	71.2	35%	0.351	41%	0.412	S	S	.	.			trans	-81.9	106.9	176.7	-60.7	-173	92.8	174.9	19.9	109.2	E357 A402 E403 P407 E414	E357-R405 IonicContact OE1-CZ 3.75Å; E357-R405 IonicContact OE1-NH1 2.59Å; E357-R405 PolarHBondContact OE1-NH1 3.21Å; E357-R405 IonicContact OE1-NH2 3.39Å; E357-R405 IonicContact OE2-NH1 3.63Å; E357-R405 PolarHBondContact OE2-NH1 3.44Å; A402-R405 WeakPolarHBondContact O-CB 3.43Å; A402-R405 PolarHBondContact O-N 2.82Å; A402-R405 VanDerWaalsContact O-N 3.09Å; E403-R405 VanDerWaalsContact C-N 3.32Å; R405-P407 WeakPolarHBondContact O-CD 3.29Å; R405-E414 IonicContact CZ-OE1 3.63Å; R405-E414 IonicContact CZ-OE2 3.41Å; R405-E414 IonicContact NE-OE1 2.76Å; R405-E414 PolarHBondContact NE-OE1 2.94Å; R405-E414 IonicContact NH2-OE1 3.92Å; R405-E414 PolarHBondContact NH2-OE1 2.87Å; R405-E414 IonicContact NH2-OE2 2.91Å; R405-E414 PolarHBondContact NH2-OE2 3.43Å
406	N	51	Low	56.5	Low	96 Å²	96	75.8 Å²	75.8	51%	0.513	43%	0.433	S	S	.	.			trans	-72.5	122.6	155.3	-74.6	-45.7	0	0	0	107.6	F404 L408 E409	F404-N406 PolarHBondContact O-N 2.77Å; N406-L408 PolarHBondContact O-N 3.31Å; N406-E409 HydrophobicContact CB-CB 4.42Å; N406-E409 HydrophobicContact CB-CG 4.17Å; N406-E409 PolarHBondContact O-N 2.87Å; N406-E409 VanDerWaalsContact O-N 3.12Å
407	P	52.7	Low	57	Low	134 Å²	134	74.3 Å²	74.3	87%	0.87	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	7.5	179.2	25.8	-33.9	0	0	0	114.5	R405	R405-P407 WeakPolarHBondContact O-CD 3.29Å
408	L	45.2	Very low	57.6	Low	173 Å²	173	71.6 Å²	71.6	91%	0.906	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.5	-6.3	-179.3	-76.5	161.2	0	0	0	113.4	N406	N406-L408 PolarHBondContact O-N 3.31Å
409	E	45.2	Very low	58.1	Low	86 Å²	86	74.2 Å²	74.2	40%	0.402	41%	0.412	S	S	.	.	S	Bend	trans	-91.6	145.3	-177.6	-82.8	-169	135.4	0	0	112.8	N406 Q413	N406-E409 HydrophobicContact CB-CB 4.42Å; N406-E409 HydrophobicContact CB-CG 4.17Å; N406-E409 PolarHBondContact O-N 2.87Å; N406-E409 VanDerWaalsContact O-N 3.12Å; E409-Q413 PolarHBondContact OE1-NE2 2.77Å; E409-Q413 PolarHBondContact OE1-OE1 3.28Å
410	A	50.1	Low	58.4	Low	49 Å²	49	73.6 Å²	73.6	41%	0.405	41%	0.408	S	S	.	.			trans	-69.4	150	-170.9	0	0	0	0	0	111.8	A412 Q413 E414	A410-A412 PolarHBondContact O-N 2.64Å; A410-Q413 PolarHBondContact O-N 2.95Å; A410-E414 PolarHBondContact O-N 2.91Å
411	P	57.4	Low	58.8	Low	104 Å²	104	72.8 Å²	72.8	68%	0.675	40%	0.402	S	S	*	.	H	α-helix	trans	-57.2	-16.8	176.3	23.3	-34.6	0	0	0	113.7	A415	P411-A415 WeakPolarHBondContact O-CB 3.18Å; P411-A415 PolarHBondContact O-N 2.72Å
412	A	58.7	Low	59.3	Low	61 Å²	61	73.3 Å²	73.3	50%	0.504	41%	0.406	S	S	.	.	H	α-helix	trans	-69.1	-39	171.7	0	0	0	0	0	113.3	A410 E414 Q416	A410-A412 PolarHBondContact O-N 2.64Å; A412-E414 VanDerWaalsContact C-N 3.34Å; A412-Q416 VanDerWaalsContact O-CG 3.27Å; A412-Q416 WeakPolarHBondContact O-CG 3.21Å; A412-Q416 PolarHBondContact O-N 3.39Å
413	Q	60.4	Low	60.1	Low	79 Å²	79	72 Å²	72	37%	0.369	39%	0.393	S	S	.	.	H	α-helix	trans	-73.2	-30.5	175.2	-71.7	170.8	-56	0	0	111	E409 A410 Q416 L417	E409-Q413 PolarHBondContact OE1-NE2 2.77Å; E409-Q413 PolarHBondContact OE1-OE1 3.28Å; A410-Q413 PolarHBondContact O-N 2.95Å; Q413-Q416 PolarHBondContact O-N 3.44Å; Q413-L417 WeakPolarHBondContact O-CB 3.47Å; Q413-L417 PolarHBondContact O-N 3.07Å
414	E	61.6	Low	60.5	Low	52 Å²	52	65.5 Å²	65.5	24%	0.243	36%	0.363	C	S	.	.	H	α-helix	trans	-67.6	-44.5	173.1	-57.4	-170.4	144.8	0	0	112	R405 A410 A412 Q416 L417 I418	R405-E414 IonicContact CZ-OE1 3.63Å; R405-E414 IonicContact CZ-OE2 3.41Å; R405-E414 IonicContact NE-OE1 2.76Å; R405-E414 PolarHBondContact NE-OE1 2.94Å; R405-E414 IonicContact NH2-OE1 3.92Å; R405-E414 PolarHBondContact NH2-OE1 2.87Å; R405-E414 IonicContact NH2-OE2 2.91Å; R405-E414 PolarHBondContact NH2-OE2 3.43Å; A410-E414 PolarHBondContact O-N 2.91Å; A412-E414 VanDerWaalsContact C-N 3.34Å; E414-Q416 VanDerWaalsContact C-N 3.28Å; E414-Q416 PolarHBondContact O-N 2.93Å; E414-L417 PolarHBondContact O-N 2.91Å; E414-I418 WeakPolarHBondContact O-CB 3.17Å; E414-I418 VanDerWaalsContact O-CG1 3.27Å; E414-I418 WeakPolarHBondContact O-CG1 3.5Å; E414-I418 PolarHBondContact O-N 3.4Å
415	A	65	Low	61.1	Low	58 Å²	58	64 Å²	64	48%	0.479	36%	0.356	S	S	.	.	H	α-helix	trans	-61.2	-39	173.6	0	0	0	0	0	111.5	P411 Q419	P411-A415 WeakPolarHBondContact O-CB 3.18Å; P411-A415 PolarHBondContact O-N 2.72Å; A415-Q419 VanDerWaalsContact O-CB 3.28Å; A415-Q419 WeakPolarHBondContact O-CB 3.1Å; A415-Q419 PolarHBondContact O-N 2.96Å
416	Q	66.8	Low	61.7	Low	95 Å²	95	62 Å²	62	44%	0.444	35%	0.35	S	S	.	.	H	α-helix	trans	-66.2	-43.3	173.9	-74.6	174.4	-14.6	0	0	112.1	A412 Q413 E414 Q419 M420	A412-Q416 VanDerWaalsContact O-CG 3.27Å; A412-Q416 WeakPolarHBondContact O-CG 3.21Å; A412-Q416 PolarHBondContact O-N 3.39Å; Q413-Q416 PolarHBondContact O-N 3.44Å; E414-Q416 VanDerWaalsContact C-N 3.28Å; E414-Q416 PolarHBondContact O-N 2.93Å; Q416-Q419 CarbonylContact O-C 3.48Å; Q416-Q419 WeakPolarHBondContact O-CB 3.31Å; Q416-Q419 PolarHBondContact O-N 3.41Å; Q416-M420 WeakPolarHBondContact O-CB 3.37Å; Q416-M420 WeakPolarHBondContact O-CG 3.24Å; Q416-M420 PolarHBondContact O-N 3.37Å
417	L	68.1	Low	62.1	Low	38 Å²	38	61 Å²	61	20%	0.199	34%	0.339	C	S	.	.	H	α-helix	trans	-65.3	-42.9	177.9	-174.1	134.8	0	0	0	111.5	M391 L401 F404 Q413 E414 Q419 M420 V421	M391-L417 HydrophobicContact CE-CD1 4.43Å; L401-L417 HydrophobicContact CD2-CD2 4.19Å; F404-L417 HydrophobicContact CB-CD1 4.11Å; Q413-L417 WeakPolarHBondContact O-CB 3.47Å; Q413-L417 PolarHBondContact O-N 3.07Å; E414-L417 PolarHBondContact O-N 2.91Å; L417-Q419 VanDerWaalsContact C-N 3.32Å; L417-Q419 PolarHBondContact O-N 3Å; L417-M420 WeakPolarHBondContact O-CB 3.49Å; L417-M420 PolarHBondContact O-N 3.28Å; L417-V421 HydrophobicContact CD2-CG2 4.29Å; L417-V421 VanDerWaalsContact O-CG2 3.27Å; L417-V421 WeakPolarHBondContact O-CG2 3.46Å; L417-V421 PolarHBondContact O-N 3.39Å
418	I	69.9	Low	62.4	Low	63 Å²	63	56 Å²	56	32%	0.323	30%	0.304	S	S	.	.	H	α-helix	trans	-60.8	-44.3	172.6	-67.5	166.6	0	0	0	109.7	V319 L355 E414 M420 V421 V422	V319-I418 HydrophobicContact CG2-CG2 4Å; L355-I418 HydrophobicContact CD1-CG2 4.08Å; E414-I418 WeakPolarHBondContact O-CB 3.17Å; E414-I418 VanDerWaalsContact O-CG1 3.27Å; E414-I418 WeakPolarHBondContact O-CG1 3.5Å; E414-I418 PolarHBondContact O-N 3.4Å; I418-M420 VanDerWaalsContact C-N 3.32Å; I418-M420 PolarHBondContact O-N 2.93Å; I418-V421 PolarHBondContact O-N 2.76Å; I418-V422 HydrophobicContact CG2-CG2 4.22Å; I418-V422 WeakPolarHBondContact O-CB 3.28Å; I418-V422 WeakPolarHBondContact O-CG2 3.16Å; I418-V422 PolarHBondContact O-N 2.99Å
419	Q	68.3	Low	63.1	Low	119 Å²	119	48.1 Å²	48.1	56%	0.556	26%	0.262	S	S	*	.	H	α-helix	trans	-63.8	-35.8	177	-167.4	178.1	3.4	0	0	112.5	F383 A415 Q416 L417 W423	F383-Q419 HydrophobicContact CE1-CB 4.37Å; F383-Q419 HydrophobicContact CE1-CG 4.23Å; F383-Q419 HydrophobicContact CZ-CB 4.45Å; F383-Q419 HydrophobicContact CZ-CG 4.08Å; A415-Q419 VanDerWaalsContact O-CB 3.28Å; A415-Q419 WeakPolarHBondContact O-CB 3.1Å; A415-Q419 PolarHBondContact O-N 2.96Å; Q416-Q419 CarbonylContact O-C 3.48Å; Q416-Q419 WeakPolarHBondContact O-CB 3.31Å; Q416-Q419 PolarHBondContact O-N 3.41Å; L417-Q419 VanDerWaalsContact C-N 3.32Å; L417-Q419 PolarHBondContact O-N 3Å; Q419-W423 VanDerWaalsContact O-CB 3.3Å; Q419-W423 WeakPolarHBondContact O-CB 3.42Å; Q419-W423 PolarHBondContact O-N 3.43Å
420	M	68.1	Low	64	Low	7 Å²	7	44 Å²	44	3%	0.034	24%	0.243	C	C	.	.	H	α-helix	trans	-67.3	-43.5	173.7	-69.8	162	77.1	0	0	111.3	F379 F383 H386 M391 Q416 L417 I418 W423 M424	F379-M420 HydrophobicContact CE1-CE 4.22Å; F379-M420 HydrophobicContact CE2-CB 4.47Å; F379-M420 HydrophobicContact CE2-CG 4.3Å; F379-M420 HydrophobicContact CZ-CE 3.58Å; F379-M420 HydrophobicContact CZ-CG 4.14Å; F383-M420 HydrophobicContact CD1-CG 3.75Å; F383-M420 HydrophobicContact CD1-SD 4.42Å; F383-M420 HydrophobicContact CD2-CG 4.15Å; F383-M420 HydrophobicContact CE1-CG 3.54Å; F383-M420 HydrophobicContact CE2-CG 3.96Å; F383-M420 HydrophobicContact CG-CG 4.05Å; F383-M420 HydrophobicContact CZ-CB 4.38Å; F383-M420 HydrophobicContact CZ-CG 3.65Å; H386-M420 HydrophobicContact CB-CE 3.95Å; M391-M420 HydrophobicContact CE-CE 3.65Å; M391-M420 HydrophobicContact CG-CE 3.58Å; M391-M420 HydrophobicContact SD-CE 3.95Å; Q416-M420 WeakPolarHBondContact O-CB 3.37Å; Q416-M420 WeakPolarHBondContact O-CG 3.24Å; Q416-M420 PolarHBondContact O-N 3.37Å; L417-M420 WeakPolarHBondContact O-CB 3.49Å; L417-M420 PolarHBondContact O-N 3.28Å; I418-M420 VanDerWaalsContact C-N 3.32Å; I418-M420 PolarHBondContact O-N 2.93Å; M420-W423 WeakPolarHBondContact O-CB 3.03Å; M420-W423 PolarHBondContact O-N 2.98Å; M420-M424 WeakPolarHBondContact O-CB 3.25Å; M420-M424 VanDerWaalsContact O-CG 3.28Å; M420-M424 WeakPolarHBondContact O-CG 3.27Å; M420-M424 PolarHBondContact O-N 2.7Å
421	V	69.4	Low	64.6	Low	1 Å²	1	41.7 Å²	41.7	1%	0.006	22%	0.224	C	C	.	.	H	α-helix	trans	-65.4	-43.8	176.4	171.5	0	0	0	0	110.6	L355 F395 L401 L417 I418 W423 M424 L425 L430	L355-V421 HydrophobicContact CD2-CG1 4.41Å; F395-V421 HydrophobicContact CZ-CG2 3.92Å; L401-V421 HydrophobicContact CD2-CG1 4.46Å; L401-V421 HydrophobicContact CD2-CG2 3.85Å; L417-V421 HydrophobicContact CD2-CG2 4.29Å; L417-V421 VanDerWaalsContact O-CG2 3.27Å; L417-V421 WeakPolarHBondContact O-CG2 3.46Å; L417-V421 PolarHBondContact O-N 3.39Å; I418-V421 PolarHBondContact O-N 2.76Å; V421-W423 VanDerWaalsContact C-N 3.31Å; V421-W423 PolarHBondContact O-N 2.95Å; V421-M424 PolarHBondContact O-N 3.01Å; V421-L425 HydrophobicContact CG1-CD1 3.81Å; V421-L425 HydrophobicContact CG1-CG 4.35Å; V421-L425 WeakPolarHBondContact O-CB 3.1Å; V421-L425 VanDerWaalsContact O-CG 3.28Å; V421-L425 WeakPolarHBondContact O-CG 3.18Å; V421-L425 PolarHBondContact O-N 2.93Å; V421-L430 HydrophobicContact CG1-CD1 4.18Å
422	V	71.1	Confident	65	Low	24 Å²	24	37 Å²	37	15%	0.145	19%	0.192	C	C	.	.	H	α-helix	trans	-54.4	-48.5	171	166.7	0	0	0	0	110.1	L289 A318 L355 I418 M424 L425 Q426	L289-V422 HydrophobicContact CD1-CG1 3.71Å; A318-V422 HydrophobicContact CB-CG2 3.88Å; L355-V422 HydrophobicContact CD1-CG2 3.35Å; I418-V422 HydrophobicContact CG2-CG2 4.22Å; I418-V422 WeakPolarHBondContact O-CB 3.28Å; I418-V422 WeakPolarHBondContact O-CG2 3.16Å; I418-V422 PolarHBondContact O-N 2.99Å; V422-M424 PolarHBondContact O-N 3.37Å; V422-L425 PolarHBondContact O-N 2.95Å; V422-Q426 HydrophobicContact CG1-CG 4.45Å; V422-Q426 WeakPolarHBondContact O-CB 3.2Å; V422-Q426 VanDerWaalsContact O-CG 3.24Å; V422-Q426 WeakPolarHBondContact O-CG 3.4Å; V422-Q426 PolarHBondContact O-N 3.23Å
423	W	68.9	Low	65.1	Low	9 Å²	9	34.7 Å²	34.7	3%	0.034	17%	0.172	C	C	.	.	H	α-helix	trans	-64	-39.2	178.8	-175.4	99.8	0	0	0	112.8	L375 Q378 F379 F383 L388 Q419 M420 V421 Q426 R427 L429	L375-W423 HydrophobicContact CB-CH2 4.31Å; L375-W423 WeakPolarHBondContact O-CH2 3.31Å; Q378-W423 HydrophobicContact CB-CZ2 4.45Å; F379-W423 HydrophobicContact CB-CH2 3.62Å; F379-W423 HydrophobicContact CB-CZ2 3.79Å; F379-W423 HydrophobicContact CB-CZ3 4.23Å; F379-W423 AromaticContact CD2-CD2 3.81Å; F379-W423 HydrophobicContact CD2-CD2 3.81Å; F379-W423 AromaticContact CD2-CE2 3.98Å; F379-W423 AromaticContact CD2-CE3 3.48Å; F379-W423 HydrophobicContact CD2-CE3 3.48Å; F379-W423 VanDerWaalsContact CD2-CE3 3.48Å; F379-W423 AromaticContact CD2-CH2 3.65Å; F379-W423 HydrophobicContact CD2-CH2 3.65Å; F379-W423 AromaticContact CD2-CZ2 3.9Å; F379-W423 HydrophobicContact CD2-CZ2 3.9Å; F379-W423 AromaticContact CD2-CZ3 3.42Å; F379-W423 HydrophobicContact CD2-CZ3 3.42Å; F379-W423 VanDerWaalsContact CD2-CZ3 3.42Å; F379-W423 HydrophobicContact CE2-CD2 4.32Å; F379-W423 AromaticContact CE2-CE3 3.86Å; F379-W423 HydrophobicContact CE2-CE3 3.86Å; F379-W423 HydrophobicContact CE2-CZ3 4.1Å; F379-W423 HydrophobicContact CG-CH2 4.07Å; F379-W423 HydrophobicContact CG-CZ2 4.37Å; F379-W423 HydrophobicContact CG-CZ3 4.18Å; F383-W423 HydrophobicContact CE2-CB 4.37Å; F383-W423 HydrophobicContact CE2-CG 4.28Å; L388-W423 HydrophobicContact CD1-CH2 4.42Å; L388-W423 HydrophobicContact CD1-CZ3 3.77Å; L388-W423 HydrophobicContact CD2-CH2 4.3Å; L388-W423 HydrophobicContact CD2-CZ3 4.37Å; Q419-W423 VanDerWaalsContact O-CB 3.3Å; Q419-W423 WeakPolarHBondContact O-CB 3.42Å; Q419-W423 PolarHBondContact O-N 3.43Å; M420-W423 WeakPolarHBondContact O-CB 3.03Å; M420-W423 PolarHBondContact O-N 2.98Å; V421-W423 VanDerWaalsContact C-N 3.31Å; V421-W423 PolarHBondContact O-N 2.95Å; W423-Q426 PolarHBondContact O-N 3.17Å; W423-R427 WeakPolarHBondContact O-CG 3.32Å; W423-R427 PolarHBondContact O-N 3.13Å; W423-L429 HydrophobicContact CZ3-CD1 4.1Å
424	M	67.1	Low	65.1	Low	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-68.3	-38.4	176.4	-72.9	179.3	-175.9	0	0	111.7	F379 L388 M391 L392 F395 M420 V421 V422 R427 R428 L429 L430	F379-M424 HydrophobicContact CE2-CE 4.07Å; F379-M424 HydrophobicContact CZ-CE 3.95Å; L388-M424 HydrophobicContact CD1-CE 3.72Å; M391-M424 HydrophobicContact CB-CE 3.47Å; M391-M424 VanDerWaalsContact CB-CE 3.47Å; M391-M424 HydrophobicContact CG-CE 4.37Å; L392-M424 HydrophobicContact CD2-SD 4.32Å; F395-M424 HydrophobicContact CD2-SD 4.23Å; F395-M424 HydrophobicContact CE2-SD 4.12Å; M420-M424 WeakPolarHBondContact O-CB 3.25Å; M420-M424 VanDerWaalsContact O-CG 3.28Å; M420-M424 WeakPolarHBondContact O-CG 3.27Å; M420-M424 PolarHBondContact O-N 2.7Å; V421-M424 PolarHBondContact O-N 3.01Å; V422-M424 PolarHBondContact O-N 3.37Å; M424-R427 CarbonylContact O-C 3.55Å; M424-R427 PolarHBondContact O-N 3.22Å; M424-R428 PolarHBondContact O-N 3.35Å; M424-L429 HydrophobicContact CB-CB 4.43Å; M424-L429 WeakPolarHBondContact O-CB 3.46Å; M424-L429 PolarHBondContact O-N 2.84Å; M424-L430 HydrophobicContact CB-CD1 3.57Å; M424-L430 HydrophobicContact CB-CG 3.92Å; M424-L430 HydrophobicContact CG-CD1 4.43Å; M424-L430 HydrophobicContact SD-CD1 4.05Å
425	L	66.9	Low	65	Low	2 Å²	2	30.5 Å²	30.5	1%	0.01	15%	0.154	C	C	.	.	H	α-helix	trans	-68.9	-38.8	173.8	-72.4	167.5	0	0	0	112.1	L289 I352 L355 Y361 V421 V422 R427 R428 L430	L289-L425 HydrophobicContact CD2-CB 3.65Å; I352-L425 HydrophobicContact CD1-CD1 4.46Å; L355-L425 HydrophobicContact CD2-CD1 3.41Å; L355-L425 VanDerWaalsContact CD2-CD1 3.41Å; Y361-L425 HydrophobicContact CD1-CD2 4.23Å; Y361-L425 HydrophobicContact CE1-CD1 3.95Å; Y361-L425 HydrophobicContact CE1-CD2 4.16Å; V421-L425 HydrophobicContact CG1-CD1 3.81Å; V421-L425 HydrophobicContact CG1-CG 4.35Å; V421-L425 WeakPolarHBondContact O-CB 3.1Å; V421-L425 VanDerWaalsContact O-CG 3.28Å; V421-L425 WeakPolarHBondContact O-CG 3.18Å; V421-L425 PolarHBondContact O-N 2.93Å; V422-L425 PolarHBondContact O-N 2.95Å; L425-R427 PolarHBondContact O-N 3.29Å; L425-R428 PolarHBondContact O-N 3.12Å; L425-L430 HydrophobicContact CD2-CB 3.69Å; L425-L430 WeakPolarHBondContact CD2-O 3.24Å; L425-L430 HydrophobicContact CG-CB 4.2Å; L425-L430 HydrophobicContact CG-CD1 4.5Å
426	Q	64.8	Low	64.6	Low	51 Å²	51	28.1 Å²	28.1	24%	0.238	13%	0.133	C	C	.	.	H	α-helix	trans	-56.8	-34.9	174.5	-80	175.9	-22.4	0	0	111.5	L289 L290 V422 W423	L289-Q426 HydrophobicContact CD1-CG 3.9Å; L289-Q426 HydrophobicContact CD2-CB 4.42Å; L289-Q426 HydrophobicContact CD2-CG 3.82Å; L289-Q426 HydrophobicContact CG-CG 3.89Å; L290-Q426 VanDerWaalsContact O-CG 3.32Å; L290-Q426 WeakPolarHBondContact O-CG 3.21Å; L290-Q426 PolarHBondContact O-NE2 2.75Å; V422-Q426 HydrophobicContact CG1-CG 4.45Å; V422-Q426 WeakPolarHBondContact O-CB 3.2Å; V422-Q426 VanDerWaalsContact O-CG 3.24Å; V422-Q426 WeakPolarHBondContact O-CG 3.4Å; V422-Q426 PolarHBondContact O-N 3.23Å; W423-Q426 PolarHBondContact O-N 3.17Å
427	R	59.6	Low	64.1	Low	75 Å²	75	23.6 Å²	23.6	28%	0.283	11%	0.112	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	9.6	179.9	-60.8	-178	-173.3	-109.7	14.5	113.4	W423 M424 L425 L429	W423-R427 WeakPolarHBondContact O-CG 3.32Å; W423-R427 PolarHBondContact O-N 3.13Å; M424-R427 CarbonylContact O-C 3.55Å; M424-R427 PolarHBondContact O-N 3.22Å; L425-R427 PolarHBondContact O-N 3.29Å; R427-L429 HydrophobicContact CB-CD1 4.22Å; R427-L429 HydrophobicContact CB-CG 4.16Å; R427-L429 PolarHBondContact O-N 3.18Å
428	R	58.8	Low	63.2	Low	31 Å²	31	23.7 Å²	23.7	12%	0.117	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.9	32.9	176.7	-50.7	-176	-171.1	-161.2	10.9	113.4	S364 M424 L425 F591	S364-R428 PolarHBondContact OG-O 2.99Å; M424-R428 PolarHBondContact O-N 3.35Å; L425-R428 PolarHBondContact O-N 3.12Å; R428-F591 WeakPolarHBondContact CD-O 3.11Å; R428-F591 PolarHBondContact NH1-O 3.11Å
429	L	59.6	Low	62.2	Low	6 Å²	6	22.6 Å²	22.6	3%	0.031	11%	0.108	C	C	.	.			trans	-84.2	-22.1	176.5	-62.2	171.6	0	0	0	112	S364 A367 L392 W423 M424 R427	S364-L429 PolarHBondContact N-O 2.95Å; S364-L429 PolarHBondContact OG-O 2.89Å; A367-L429 HydrophobicContact CB-CD2 3.87Å; L392-L429 HydrophobicContact CD2-CB 4.24Å; L392-L429 HydrophobicContact CD2-CD1 4.44Å; W423-L429 HydrophobicContact CZ3-CD1 4.1Å; M424-L429 HydrophobicContact CB-CB 4.43Å; M424-L429 WeakPolarHBondContact O-CB 3.46Å; M424-L429 PolarHBondContact O-N 2.84Å; R427-L429 HydrophobicContact CB-CD1 4.22Å; R427-L429 HydrophobicContact CB-CG 4.16Å; R427-L429 PolarHBondContact O-N 3.18Å
430	L	62.6	Low	61.2	Low	1 Å²	1	21.1 Å²	21.1	1%	0.005	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.7	177.4	-66.3	171.9	0	0	0	109.9	Y361 M362 L363 F395 V421 M424 L425	Y361-L430 HydrophobicContact CD1-CB 4.47Å; M362-L430 CarbonylContact O-C 3.52Å; M362-L430 WeakPolarHBondContact O-CA 3.31Å; L363-L430 HydrophobicContact CD2-CD2 4.2Å; F395-L430 HydrophobicContact CB-CD2 3.66Å; F395-L430 HydrophobicContact CD1-CD2 4.15Å; F395-L430 HydrophobicContact CD2-CD2 4.22Å; F395-L430 HydrophobicContact CG-CD2 3.77Å; V421-L430 HydrophobicContact CG1-CD1 4.18Å; M424-L430 HydrophobicContact CB-CD1 3.57Å; M424-L430 HydrophobicContact CB-CG 3.92Å; M424-L430 HydrophobicContact CG-CD1 4.43Å; M424-L430 HydrophobicContact SD-CD1 4.05Å; L425-L430 HydrophobicContact CD2-CB 3.69Å; L425-L430 WeakPolarHBondContact CD2-O 3.24Å; L425-L430 HydrophobicContact CG-CB 4.2Å; L425-L430 HydrophobicContact CG-CD1 4.5Å
431	I	63.8	Low	60	Low	0 Å²	0	24 Å²	24	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	143.3	167.9	42	169.5	0	0	0	108.4	Y361 M362 E584 Q592	Y361-I431 WeakPolarHBondContact CA-O 3.45Å; M362-I431 HydrophobicContact CB-CD1 3.75Å; M362-I431 HydrophobicContact CB-CG1 3.8Å; M362-I431 HydrophobicContact CE-CD1 3.28Å; M362-I431 HydrophobicContact CG-CD1 3.94Å; M362-I431 HydrophobicContact CG-CG1 4.4Å; M362-I431 PolarHBondContact N-O 3.26Å; M362-I431 WeakPolarHBondContact O-CG1 3.41Å; M362-I431 PolarHBondContact O-N 2.86Å; M362-I431 HydrophobicContact SD-CD1 4.44Å; I431-E584 WeakPolarHBondContact CD1-OE1 3.34Å; I431-Q592 HydrophobicContact CG2-CB 3.71Å
432	Q	65.2	Low	58.3	Low	4 Å²	4	27.6 Å²	27.6	2%	0.019	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	117.2	176.1	-171.9	173.6	-7.3	0	0	110.4	N359 Y361 H434 Q592	N359-Q432 PolarHBondContact ND2-NE2 2.84Å; Y361-Q432 HydrophobicContact CD1-CB 4.37Å; Y361-Q432 HydrophobicContact CE1-CB 4.16Å; Y361-Q432 HydrophobicContact CE1-CG 4.06Å; Q432-H434 PolarHBondContact NE2-NE2 3.04Å; Q432-H434 PolarHBondContact O-ND1 3.47Å; Q432-Q592 VanDerWaalsContact N-OE1 3.16Å
433	L	60.5	Low	56.6	Low	14 Å²	14	31.9 Å²	31.9	7%	0.073	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	138.3	176.3	-67.5	170.6	0	0	0	110	V360 M362 P398 E584	V360-L433 HydrophobicContact CB-CB 4.17Å; V360-L433 HydrophobicContact CG1-CB 4.23Å; V360-L433 HydrophobicContact CG1-CD1 4.12Å; V360-L433 PolarHBondContact O-N 3.48Å; M362-L433 HydrophobicContact CB-CD1 3.69Å; M362-L433 HydrophobicContact CB-CG 4.27Å; M362-L433 HydrophobicContact CE-CD1 4.22Å; M362-L433 HydrophobicContact CE-CD2 4.29Å; M362-L433 HydrophobicContact SD-CD1 4.18Å; P398-L433 HydrophobicContact CB-CD1 3.81Å; P398-L433 HydrophobicContact CG-CD1 4.05Å; L433-E584 HydrophobicContact CD2-CG 3.79Å
434	H	60.3	Low	54.6	Low	11 Å²	11	38 Å²	38	5%	0.051	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.6	177.4	-65.9	84.9	0	0	0	110.4	F353 Q432 Y436 H552 N582 H583	F353-H434 AromaticContact CD1-NE2 3.72Å; F353-H434 AromaticContact CD2-CE1 3.1Å; F353-H434 WeakPolarHBondContact CD2-CE1 3.31Å; F353-H434 AromaticContact CD2-NE2 3.03Å; F353-H434 WeakPolarHBondContact CD2-NE2 3.42Å; F353-H434 AromaticContact CE1-NE2 3.93Å; F353-H434 AromaticContact CE2-CE1 3.18Å; F353-H434 WeakPolarHBondContact CE2-CE1 3.48Å; F353-H434 AromaticContact CE2-ND1 3.98Å; F353-H434 AromaticContact CE2-NE2 3.27Å; F353-H434 VanDerWaalsContact CE2-NE2 3.27Å; F353-H434 WeakPolarHBondContact CE2-NE2 3.46Å; F353-H434 AromaticContact CG-CE1 3.82Å; F353-H434 AromaticContact CG-NE2 3.25Å; F353-H434 WeakPolarHBondContact CG-NE2 3.34Å; F353-H434 AromaticContact CZ-CE1 4Å; F353-H434 AromaticContact CZ-NE2 3.73Å; Q432-H434 PolarHBondContact NE2-NE2 3.04Å; Q432-H434 PolarHBondContact O-ND1 3.47Å; H434-Y436 WeakPolarHBondContact O-CD2 3.11Å; H434-Y436 PolarHBondContact O-N 3.23Å; H434-H552 WeakPolarHBondContact CB-CE1 3.49Å; H434-H552 WeakPolarHBondContact CB-ND1 3.48Å; H434-H552 AromaticContact CG-CE1 3.73Å; H434-H552 AromaticContact CG-ND1 3.61Å; H434-H552 AromaticContact ND1-CE1 3.98Å; H434-N582 CarbonylContact O-C 3.55Å; H434-N582 WeakPolarHBondContact O-CA 3.44Å; H434-H583 PolarHBondContact N-O 2.91Å; H434-H583 PolarHBondContact O-N 3.35Å; H434-H583 VanDerWaalsContact O-O 3.08Å
435	T	59.3	Low	53.2	Low	31 Å²	31	47 Å²	47	19%	0.19	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	111.7	169.9	47.6	0	0	0	0	109	L553 V580 T581 N582	T435-L553 WeakPolarHBondContact O-CB 3.49Å; T435-L553 PolarHBondContact O-N 3.4Å; T435-L553 VanDerWaalsContact O-N 3.11Å; T435-L553 VanDerWaalsContact OG1-CB 3.29Å; T435-L553 WeakPolarHBondContact OG1-CB 3.39Å; T435-L553 WeakPolarHBondContact OG1-CD2 3.36Å; T435-V580 HydrophobicContact CG2-CG1 4.01Å; T435-T581 CarbonylContact C-O 3.55Å; T435-T581 WeakPolarHBondContact CA-O 3.4Å; T435-N582 WeakPolarHBondContact CG2-OD1 3.36Å
436	Y	57.7	Low	51.5	Low	8 Å²	8	53.9 Å²	53.9	3%	0.031	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	153.5	161.1	-71	-87.9	0	0	0	109.8	H434 G549 H551 H552 V580 T581 H583 E584 D585 P586	H434-Y436 WeakPolarHBondContact O-CD2 3.11Å; H434-Y436 PolarHBondContact O-N 3.23Å; Y436-G549 WeakPolarHBondContact CD1-O 3.17Å; Y436-H551 WeakPolarHBondContact CD1-O 3.09Å; Y436-H552 AromaticContact CD1-ND1 3.83Å; Y436-H552 AromaticContact CD2-CE1 3.88Å; Y436-H552 AromaticContact CD2-ND1 3.7Å; Y436-H552 AromaticContact CE1-CD2 3.77Å; Y436-H552 AromaticContact CE1-CE1 3.44Å; Y436-H552 VanDerWaalsContact CE1-CE1 3.44Å; Y436-H552 WeakPolarHBondContact CE1-CE1 3.44Å; Y436-H552 AromaticContact CE1-CG 3.67Å; Y436-H552 AromaticContact CE1-ND1 3.36Å; Y436-H552 WeakPolarHBondContact CE1-ND1 3.3Å; Y436-H552 AromaticContact CE1-NE2 3.56Å; Y436-H552 AromaticContact CE2-CE1 2.99Å; Y436-H552 WeakPolarHBondContact CE2-CE1 3.42Å; Y436-H552 AromaticContact CE2-ND1 3.28Å; Y436-H552 VanDerWaalsContact CE2-ND1 3.28Å; Y436-H552 WeakPolarHBondContact CE2-ND1 3.49Å; Y436-H552 AromaticContact CE2-NE2 3.8Å; Y436-H552 AromaticContact CZ-CD2 3.82Å; Y436-H552 AromaticContact CZ-CE1 2.79Å; Y436-H552 AromaticContact CZ-CG 3.86Å; Y436-H552 AromaticContact CZ-ND1 3.17Å; Y436-H552 AromaticContact CZ-NE2 3.11Å; Y436-H552 PolarHBondContact OH-CE1 3.48Å; Y436-H552 PolarHBondContact OH-NE2 3.22Å; Y436-V580 CarbonylContact O-C 3.33Å; Y436-V580 WeakPolarHBondContact O-CA 3.24Å; Y436-T581 PolarHBondContact N-O 2.86Å; Y436-T581 PolarHBondContact O-N 3.03Å; Y436-T581 VanDerWaalsContact O-O 3.11Å; Y436-H583 HydrophobicContact CD2-CB 3.63Å; Y436-H583 HydrophobicContact CE2-CB 3.53Å; Y436-H583 WeakPolarHBondContact CE2-O 3.33Å; Y436-E584 PolarHBondContact OH-O 3.43Å; Y436-D585 WeakPolarHBondContact OH-CA 3.13Å; Y436-P586 WeakPolarHBondContact OH-CD 3.42Å
437	V	56	Low	49.7	Very low	1 Å²	1	60.2 Å²	60.2	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	112.9	172	-176.2	0	0	0	0	107.3	F547 F571 L578 V580	V437-F547 HydrophobicContact CB-CD1 3.78Å; V437-F547 HydrophobicContact CB-CE1 4.04Å; V437-F547 HydrophobicContact CG1-CD1 3.47Å; V437-F547 VanDerWaalsContact CG1-CD1 3.47Å; V437-F547 HydrophobicContact CG1-CE1 3.67Å; V437-F547 HydrophobicContact CG1-CG 4.49Å; V437-F547 CarbonylContact O-C 3.52Å; V437-F547 WeakPolarHBondContact O-CA 3.28Å; V437-F571 HydrophobicContact CB-CZ 4.47Å; V437-F571 HydrophobicContact CG1-CE1 4.42Å; V437-F571 HydrophobicContact CG2-CD1 4.3Å; V437-F571 HydrophobicContact CG2-CD2 3.98Å; V437-F571 HydrophobicContact CG2-CE1 3.94Å; V437-F571 HydrophobicContact CG2-CE2 3.54Å; V437-F571 HydrophobicContact CG2-CG 4.35Å; V437-F571 HydrophobicContact CG2-CZ 3.53Å; V437-L578 HydrophobicContact CG1-CB 3.89Å; V437-L578 HydrophobicContact CG1-CD1 3.98Å; V437-L578 HydrophobicContact CG1-CD2 3.79Å; V437-L578 HydrophobicContact CG1-CG 4.1Å; V437-V580 HydrophobicContact CG2-CG2 4.33Å
438	C	49.2	Very low	48.3	Very low	39 Å²	39	61.4 Å²	61.4	26%	0.264	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	127.8	171.7	-65.3	0	0	0	0	107.8	L440 G549 I579	C438-L440 PolarHBondContact O-N 3.18Å; C438-G549 WeakPolarHBondContact SG-CA 3.45Å; C438-I579 PolarHBondContact N-O 2.81Å; C438-I579 PolarHBondContact O-N 3.41Å
439	F	50	Low	46.8	Very low	41 Å²	41	65.8 Å²	65.8	18%	0.18	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	109.3	166.5	-169.7	-106.5	0	0	0	107.9	I441 E521 I525 F540 F547 V577 L578	F439-I441 HydrophobicContact CD1-CD1 4.19Å; F439-I441 HydrophobicContact CD1-CG1 3.75Å; F439-I441 HydrophobicContact CE1-CD1 3.91Å; F439-I441 HydrophobicContact CE1-CG1 3.41Å; F439-I441 VanDerWaalsContact CE1-CG1 3.41Å; F439-I441 HydrophobicContact CZ-CG1 4.39Å; F439-E521 HydrophobicContact CE1-CB 4.18Å; F439-E521 HydrophobicContact CE1-CG 3.8Å; F439-E521 HydrophobicContact CZ-CB 4.23Å; F439-E521 HydrophobicContact CZ-CG 4.33Å; F439-I525 HydrophobicContact CE2-CD1 4.36Å; F439-I525 HydrophobicContact CE2-CG1 4.39Å; F439-I525 HydrophobicContact CZ-CD1 4.14Å; F439-I525 HydrophobicContact CZ-CG1 4.34Å; F439-F540 HydrophobicContact CD2-CZ 4.16Å; F439-F540 HydrophobicContact CE2-CE1 4.37Å; F439-F540 AromaticContact CE2-CZ 3.83Å; F439-F540 HydrophobicContact CE2-CZ 3.83Å; F439-F547 HydrophobicContact CB-CB 3.9Å; F439-F547 PolarHBondContact N-O 3.28Å; F439-V577 HydrophobicContact CD2-CG1 3.8Å; F439-V577 HydrophobicContact CE2-CB 4.39Å; F439-V577 HydrophobicContact CE2-CG1 3.19Å; F439-V577 HydrophobicContact CZ-CG1 3.62Å; F439-L578 HydrophobicContact CD2-CD2 3.83Å
440	L	45.7	Very low	45.4	Very low	87 Å²	87	71.6 Å²	71.6	46%	0.455	40%	0.398	S	S	.	.			trans	-99.9	111.7	173.1	-165	97.4	0	0	0	108.1	C438 V577 I579	C438-L440 PolarHBondContact O-N 3.18Å; L440-V577 PolarHBondContact N-O 3.4Å; L440-V577 VanDerWaalsContact N-O 3.08Å; L440-I579 HydrophobicContact CB-CD1 3.62Å; L440-I579 HydrophobicContact CB-CG1 3.78Å; L440-I579 HydrophobicContact CD1-CD1 3.92Å; L440-I579 HydrophobicContact CD2-CD1 3.7Å; L440-I579 HydrophobicContact CG-CD1 3.9Å
441	I	44.3	Very low	43.8	Very low	69 Å²	69	80 Å²	80	35%	0.354	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-80.3	120.1	160.5	-54.8	158.8	0	0	0	104.8	F439 E521	F439-I441 HydrophobicContact CD1-CD1 4.19Å; F439-I441 HydrophobicContact CD1-CG1 3.75Å; F439-I441 HydrophobicContact CE1-CD1 3.91Å; F439-I441 HydrophobicContact CE1-CG1 3.41Å; F439-I441 VanDerWaalsContact CE1-CG1 3.41Å; F439-I441 HydrophobicContact CZ-CG1 4.39Å; I441-E521 VanDerWaalsContact CD1-CD 3.46Å; I441-E521 HydrophobicContact CD1-CG 3.39Å; I441-E521 WeakPolarHBondContact CD1-OE1 3.47Å; I441-E521 HydrophobicContact CG1-CG 3.84Å
442	P	32.7	Very low	42	Very low	75 Å²	75	87.1 Å²	87.1	49%	0.487	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-58.6	128.8	170	23.8	-30.1	0	0	0	107.9	N444	P442-N444 PolarHBondContact O-N 3.17Å
443	P	35	Very low	40.1	Very low	115 Å²	115	96 Å²	96	75%	0.747	51%	0.514	S	S	*	.	P	Polyproline II helix	trans	-63.7	127.8	172.4	27.5	-31.2	0	0	0	107.4	E445	P443-E445 PolarHBondContact O-N 3.16Å
444	N	28.7	Very low	38.3	Very low	136 Å²	136	103.8 Å²	103.8	73%	0.727	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-60.9	126.6	164.5	-87	-11.9	0	0	0	107.4	P442 D446	P442-N444 PolarHBondContact O-N 3.17Å; N444-D446 PolarHBondContact O-N 3.16Å
445	E	36.1	Very low	37.1	Very low	189 Å²	189	111.3 Å²	111.3	88%	0.883	59%	0.59	S	S	*	*	S	Bend	trans	-58.4	93.4	157.1	-68.6	-171.3	150.6	0	0	106.9	P443	P443-E445 PolarHBondContact O-N 3.16Å
446	D	32	Very low	35.8	Very low	148 Å²	148	114.7 Å²	114.7	79%	0.791	61%	0.612	S	S	*	*			trans	169.6	87.6	152.7	-84.2	-27.1	0	0	0	108.1	N444	N444-D446 PolarHBondContact O-N 3.16Å
447	E	27	Very low	34.3	Very low	183 Å²	183	122.2 Å²	122.2	86%	0.855	65%	0.652	S	S	*	*				179.6	137.7	129.2	-90.3	-68.9	119.7	0	0	108.5
448	P	29.2	Very low	32.7	Very low	100 Å²	100	126.6 Å²	126.6	65%	0.649	69%	0.689	S	S	*	*			trans	-79	147.6	-164.9	33	-33.7	0	0	0	112.7
449	T	27.3	Very low	31.6	Very low	124 Å²	124	128.8 Å²	128.8	76%	0.761	71%	0.709	S	S	*	*			trans	-49.9	143.1	167.4	48.2	0	0	0	0	112.7
450	P	30	Very low	30.5	Very low	128 Å²	128	139.2 Å²	139.2	83%	0.831	75%	0.747	S	S	*	*			trans	-108.6	131.7	134.4	31.9	-24.2	0	0	0	109.5
451	K	29	Very low	29.5	Very low	178 Å²	178	142 Å²	142	77%	0.774	77%	0.768	S	S	*	*			trans	-73.9	153.7	175.2	-70.9	178.9	173.8	179.4	0	111.1
452	D	27.3	Very low	28.5	Very low	148 Å²	148	142.4 Å²	142.4	79%	0.791	79%	0.789	S	S	*	*			trans	70.5	100.8	156.3	-53.7	-29.2	0	0	0	117.3
453	E	25	Very low	28.1	Very low	192 Å²	192	142.2 Å²	142.2	90%	0.897	80%	0.801	S	S	*	*				-167.9	154	117.8	-105.3	-172	173.6	0	0	111.8
454	E	23.3	Very low	27.7	Very low	177 Å²	177	148.9 Å²	148.9	83%	0.827	81%	0.811	S	S	*	*			trans	-61.2	155.3	-166.3	-56.2	169.1	139.4	0	0	114.6
455	L	34	Very low	27.5	Very low	168 Å²	168	147.4 Å²	147.4	88%	0.88	81%	0.811	S	S	*	*			trans	-47.4	134.6	148.2	-66.6	154.4	0	0	0	107.2
456	P	33.1	Very low	27.2	Very low	102 Å²	102	145.2 Å²	145.2	66%	0.662	81%	0.805	S	S	*	*				-161.8	174.4	58.4	39.9	-16.3	0	0	0	117.8
457	L	24.5	Very low	26.8	Very low	167 Å²	167	144 Å²	144	87%	0.874	81%	0.808	S	S	*	*			trans	56.7	133.2	141.8	-69.9	163.4	0	0	0	123.4
458	A	23.8	Very low	27	Very low	93 Å²	93	141 Å²	141	77%	0.769	80%	0.802	S	S	*	*			trans	93.6	116.5	137.9	0	0	0	0	0	120.8
459	A	25.3	Very low	26.9	Very low	85 Å²	85	142.2 Å²	142.2	70%	0.702	81%	0.81	S	S	*	*			trans	63.4	105.4	135	0	0	0	0	0	119.5
460	R	26.9	Very low	26.8	Very low	259 Å²	259	141.8 Å²	141.8	98%	0.977	81%	0.812	S	S	*	*				-123	107.3	129.2	-79.1	-165.4	172.6	150.8	1.1	110.6
461	V	25.8	Very low	26.7	Very low	147 Å²	147	139.8 Å²	139.8	89%	0.891	81%	0.806	S	S	*	*			trans	-77.7	140.1	168.2	165.6	0	0	0	0	109.4
462	G	23.5	Very low	26.7	Very low	77 Å²	77	139.2 Å²	139.2	79%	0.794	81%	0.811	S	S	*	*			trans	139.1	103.1	157.3	0	0	0	0	0	111.5
463	G	24	Very low	26.5	Very low	71 Å²	71	138.2 Å²	138.2	73%	0.732	82%	0.816	S	S	*	*			cis	171.2	123.2	-0.5	0	0	0	0	0	109
464	R	25.5	Very low	26.6	Very low	255 Å²	255	139.1 Å²	139.1	96%	0.962	82%	0.817	S	S	*	*			trans	-168.9	99.4	138.1	-112.3	177.4	177.1	176.9	-0.6	109.7
465	S	25.3	Very low	26.5	Very low	105 Å²	105	134.1 Å²	134.1	73%	0.734	81%	0.813	S	S	*	*			trans	-57.1	129.4	172.9	-62.2	0	0	0	0	112
466	L	28.8	Very low	26.2	Very low	142 Å²	142	131.2 Å²	131.2	74%	0.743	81%	0.807	S	S	*	*				75.3	124.7	91.1	-67.1	162.2	0	0	0	114.8
467	S	24.8	Very low	26.4	Very low	124 Å²	124	131.8 Å²	131.8	87%	0.867	81%	0.81	S	S	*	*				-154.7	85.9	128.5	-47.5	0	0	0	0	111
468	T	30.3	Very low	26.3	Very low	118 Å²	118	129.5 Å²	129.5	72%	0.724	80%	0.804	S	S	*	*			trans	-91.8	137.6	138	50.5	0	0	0	0	106.9
469	P	28.2	Very low	26.3	Very low	127 Å²	127	129.8 Å²	129.8	83%	0.825	80%	0.8	S	S	*	*			trans	-106	113.2	155.8	28.9	-15.3	0	0	0	109.5
470	S	24.9	Very low	26.3	Very low	115 Å²	115	130.1 Å²	130.1	80%	0.804	80%	0.797	S	S	*	*			trans	-94.9	144.9	144.3	-57.4	0	0	0	0	105
471	A	26.7	Very low	26.2	Very low	85 Å²	85	125.3 Å²	125.3	70%	0.702	79%	0.791	S	S	*	*			cis	-170.6	150.4	36.7	0	0	0	0	0	110.1
472	L	29.4	Very low	26.2	Very low	167 Å²	167	124.9 Å²	124.9	87%	0.874	78%	0.784	S	S	*	*			trans	51.8	114.3	144.6	-54.5	171.5	0	0	0	120.8
473	S	24	Very low	26.7	Very low	127 Å²	127	128.4 Å²	128.4	89%	0.888	78%	0.781	S	S	*	*				-173.6	132.7	124.8	-86.9	0	0	0	0	112.8
474	F	26.1	Very low	26.8	Very low	210 Å²	210	130.3 Å²	130.3	92%	0.921	78%	0.779	S	S	*	*			trans	-75.4	137.1	176.9	-142.9	-99.4	0	0	0	110.3
475	G	22.4	Very low	27.4	Very low	73 Å²	73	125.7 Å²	125.7	75%	0.753	77%	0.773	S	S	*	*			trans	172.8	86	173.5	0	0	0	0	0	112.6
476	S	26.1	Very low	27.4	Very low	106 Å²	106	126.5 Å²	126.5	74%	0.741	77%	0.773	S	S	*	*			trans	-63.7	171.9	164.7	-44.7	0	0	0	0	111.1
477	P	37.8	Very low	27.4	Very low	114 Å²	114	124.8 Å²	124.8	74%	0.74	77%	0.773	S	S	*	*			cis	-128.4	170.6	12.5	30.8	-6.9	0	0	0	112.9
478	T	22.6	Very low	27.7	Very low	119 Å²	119	125.4 Å²	125.4	73%	0.73	77%	0.774	S	S	*	*				179.1	152.8	81	48.2	0	0	0	0	110.4
479	S	24.4	Very low	27.5	Very low	99 Å²	99	124 Å²	124	69%	0.692	77%	0.769	S	S	*	*			trans	58.1	100.6	150.5	69.3	0	0	0	0	117.7
480	S	25.1	Very low	27.5	Very low	92 Å²	92	125.2 Å²	125.2	64%	0.643	77%	0.765	S	S	*	*				97.7	123	80.6	60.7	0	0	0	0	110.8
481	D	25.3	Very low	27.5	Very low	158 Å²	158	126.7 Å²	126.7	85%	0.845	76%	0.76	S	S	*	*			trans	67.5	139.2	165.7	-45.7	-37.4	0	0	0	115
482	D	24.4	Very low	27.4	Very low	139 Å²	139	128.5 Å²	128.5	74%	0.743	76%	0.758	S	S	*	*			cis	-158.1	148.3	33.2	-168.1	14.5	0	0	0	110.3
483	M	35.2	Very low	27.2	Very low	151 Å²	151	126.3 Å²	126.3	74%	0.744	76%	0.756	S	S	*	*			trans	-73	125.6	167	-102	-85.2	-69.2	0	0	108.4
484	T	25.9	Very low	27.6	Very low	111 Å²	111	125.3 Å²	125.3	68%	0.681	75%	0.749	S	S	*	*			trans	-157.3	113.8	149.9	32	0	0	0	0	113.1	T486	T484-T486 PolarHBondContact O-N 3.27Å
485	L	36.8	Very low	27.6	Very low	158 Å²	158	119.1 Å²	119.1	83%	0.827	74%	0.737	S	S	*	*			trans	-51.1	119.7	146.4	-62.2	164.2	0	0	0	109
486	T	25.7	Very low	28.3	Very low	122 Å²	122	125 Å²	125	75%	0.748	75%	0.745	S	S	*	*			trans	-151.1	112.2	153.4	41.2	0	0	0	0	110	T484	T484-T486 PolarHBondContact O-N 3.27Å
487	S	29.8	Very low	28.4	Very low	105 Å²	105	126.7 Å²	126.7	73%	0.734	75%	0.745	S	S	*	*			trans	-55.5	152.4	155.1	-44.2	0	0	0	0	109.8
488	P	30.2	Very low	27.9	Very low	137 Å²	137	128.4 Å²	128.4	89%	0.89	75%	0.747	S	S	*	*			trans	-89.8	106.7	144.7	29.6	-18.1	0	0	0	107.5
489	S	26.2	Very low	28.6	Very low	88 Å²	88	128.8 Å²	128.8	62%	0.615	75%	0.751	S	S	*	*			trans	-113.6	136.2	160.2	-160.2	0	0	0	0	108.5
490	M	29.4	Very low	29.3	Very low	153 Å²	153	126.8 Å²	126.8	75%	0.754	75%	0.747	S	S	*	*			trans	178	85.3	148.8	-97.9	-64	-55.9	0	0	104.4
491	E	24.3	Very low	29.5	Very low	146 Å²	146	125.2 Å²	125.2	68%	0.682	75%	0.745	S	S	*	*				67.2	130.1	86.4	-69.2	-176.8	-169.4	0	0	110.8
492	N	24.9	Very low	30.3	Very low	124 Å²	124	121.8 Å²	121.8	66%	0.663	73%	0.726	S	S	*	*			cis	-168.6	135.6	22.4	-170.3	3.1	0	0	0	107.7	S494	N492-S494 PolarHBondContact OD1-OG 3.48Å
493	S	25.5	Very low	31.1	Very low	120 Å²	120	117.9 Å²	117.9	84%	0.839	71%	0.71	S	S	*	*			trans	-170.7	80	141.1	-80	0	0	0	0	108.3
494	S	31.5	Very low	31.6	Very low	106 Å²	106	114.8 Å²	114.8	74%	0.741	70%	0.701	S	S	*	*			trans	10.1	109	139.7	-37.6	0	0	0	0	117.2	N492	N492-S494 PolarHBondContact OD1-OG 3.48Å
495	A	25.1	Very low	32.5	Very low	80 Å²	80	115.7 Å²	115.7	66%	0.661	70%	0.701	S	S	*	*			trans	-153.9	98.5	142.1	0	0	0	0	0	108.1	L497	A495-L497 HydrophobicContact CB-CG 4.46Å; A495-L497 PolarHBondContact O-N 2.92Å
496	E	37.3	Very low	32.9	Very low	197 Å²	197	111.3 Å²	111.3	92%	0.921	68%	0.678	S	S	*	*			trans	-50.6	117.4	154.4	-69.5	177.9	128.2	0	0	107.8
497	L	28.4	Very low	34.1	Very low	142 Å²	142	110 Å²	110	74%	0.743	66%	0.663	S	S	*	*			trans	-133.5	96.8	166.5	-75.4	174.7	0	0	0	109.4	A495	A495-L497 HydrophobicContact CB-CG 4.46Å; A495-L497 PolarHBondContact O-N 2.92Å
498	L	28.4	Very low	35	Very low	149 Å²	149	113 Å²	113	78%	0.78	66%	0.658	S	S	*	*			trans	-15.3	155.7	134.1	-69.1	168.1	0	0	0	115.4	G500	L498-G500 PolarHBondContact O-N 3.1Å
499	P	37.8	Very low	35.8	Very low	127 Å²	127	112.3 Å²	112.3	83%	0.825	64%	0.644	S	S	*	*	S	Bend	trans	-61.9	111	179.6	27.3	-34.3	0	0	0	110.7
500	G	37.7	Very low	37	Very low	58 Å²	58	108.8 Å²	108.8	60%	0.598	62%	0.619	S	S	*	*			trans	146.1	99	175.3	0	0	0	0	0	112.5	L498	L498-G500 PolarHBondContact O-N 3.1Å
501	G	29.5	Very low	38.1	Very low	59 Å²	59	106.1 Å²	106.1	61%	0.608	60%	0.604	S	S	*	*			trans	168.3	98.8	172.4	0	0	0	0	0	113.8	S503	G501-S503 PolarHBondContact O-N 3.23Å
502	D	43	Very low	39.4	Very low	85 Å²	85	103.8 Å²	103.8	46%	0.455	60%	0.601	S	S	.	*			trans	-58	90.3	173	-107.8	-5.9	0	0	0	112.1	K507 P534	D502-K507 WeakPolarHBondContact OD2-CE 3.36Å; D502-K507 IonicContact OD2-NZ 3.55Å; D502-K507 PolarHBondContact OD2-NZ 2.8Å; D502-P534 WeakPolarHBondContact OD1-CB 3.2Å
503	S	39.8	Very low	40.7	Very low	57 Å²	57	100.7 Å²	100.7	40%	0.399	58%	0.583	S	S	.	*			trans	-80.1	134.8	175.9	-69.8	0	0	0	0	111.8	G501 L505 N506 K507	G501-S503 PolarHBondContact O-N 3.23Å; S503-L505 VanDerWaalsContact C-N 3.26Å; S503-L505 PolarHBondContact O-N 3.1Å; S503-N506 WeakPolarHBondContact O-CB 3.22Å; S503-N506 PolarHBondContact O-N 2.74Å; S503-K507 PolarHBondContact O-N 2.94Å
504	P	46.2	Very low	41.9	Very low	86 Å²	86	95.5 Å²	95.5	56%	0.558	55%	0.546	S	S	*	.	H	α-helix	trans	-66.3	-22.9	-176.6	25.2	-33.7	0	0	0	114	N506 K507 R508	P504-N506 VanDerWaalsContact C-N 3.35Å; P504-K507 PolarHBondContact O-N 2.71Å; P504-R508 WeakPolarHBondContact O-CG 3.48Å; P504-R508 PolarHBondContact O-N 3.1Å; P504-R508 VanDerWaalsContact O-N 3.11Å
505	L	45.3	Very low	42.8	Very low	131 Å²	131	93.8 Å²	93.8	69%	0.686	54%	0.539	S	S	*	.	H	α-helix	trans	-67	-37.4	171.4	-75.4	158.6	0	0	0	111.8	S503 R508 M509	S503-L505 VanDerWaalsContact C-N 3.26Å; S503-L505 PolarHBondContact O-N 3.1Å; L505-R508 PolarHBondContact O-N 3.41Å; L505-M509 WeakPolarHBondContact O-CB 3.38Å; L505-M509 PolarHBondContact O-N 2.91Å
506	N	45.5	Very low	43.9	Very low	65 Å²	65	94.5 Å²	94.5	35%	0.348	54%	0.539	S	S	.	.	H	α-helix	trans	-69.5	-36.7	176.9	-72.6	-21.6	0	0	0	111.4	S503 P504 M509 T510	S503-N506 WeakPolarHBondContact O-CB 3.22Å; S503-N506 PolarHBondContact O-N 2.74Å; P504-N506 VanDerWaalsContact C-N 3.35Å; N506-M509 PolarHBondContact O-N 3.24Å; N506-T510 WeakPolarHBondContact O-CG2 3.42Å; N506-T510 PolarHBondContact O-N 2.76Å; N506-T510 PolarHBondContact O-OG1 2.92Å
507	K	50.4	Low	44.6	Very low	96 Å²	96	86.7 Å²	86.7	42%	0.417	50%	0.503	S	S	.	.	H	α-helix	trans	-63.8	-43.8	174.1	-74.1	179.6	177.4	173.6	0	111.6	D502 S503 P504 T510 E511	D502-K507 WeakPolarHBondContact OD2-CE 3.36Å; D502-K507 IonicContact OD2-NZ 3.55Å; D502-K507 PolarHBondContact OD2-NZ 2.8Å; S503-K507 PolarHBondContact O-N 2.94Å; P504-K507 PolarHBondContact O-N 2.71Å; K507-T510 WeakPolarHBondContact CA-OG1 3.3Å; K507-T510 PolarHBondContact O-N 3.29Å; K507-T510 PolarHBondContact O-OG1 2.89Å; K507-E511 VanDerWaalsContact O-CB 3.25Å; K507-E511 WeakPolarHBondContact O-CB 3.49Å; K507-E511 VanDerWaalsContact O-CG 3.24Å; K507-E511 WeakPolarHBondContact O-CG 3.32Å; K507-E511 PolarHBondContact O-N 3.32Å
508	R	49.6	Very low	45.7	Very low	168 Å²	168	82.5 Å²	82.5	63%	0.634	49%	0.486	S	S	*	.	H	α-helix	trans	-65.6	-39	175.8	-69	177.7	-165.3	178.1	4.3	112.9	P504 L505 E511 T512	P504-R508 WeakPolarHBondContact O-CG 3.48Å; P504-R508 PolarHBondContact O-N 3.1Å; P504-R508 VanDerWaalsContact O-N 3.11Å; L505-R508 PolarHBondContact O-N 3.41Å; R508-E511 PolarHBondContact O-N 3.11Å; R508-T512 WeakPolarHBondContact O-CB 3.47Å; R508-T512 PolarHBondContact O-N 3.04Å; R508-T512 PolarHBondContact O-OG1 3.22Å
509	M	45.2	Very low	46.7	Very low	122 Å²	122	82.4 Å²	82.4	60%	0.601	48%	0.481	S	S	*	.	H	α-helix	trans	-65.4	-45.9	177	-171	83.7	-177.6	0	0	111.3	L505 N506 T512 L513	L505-M509 WeakPolarHBondContact O-CB 3.38Å; L505-M509 PolarHBondContact O-N 2.91Å; N506-M509 PolarHBondContact O-N 3.24Å; M509-T512 PolarHBondContact O-N 3.04Å; M509-L513 WeakPolarHBondContact O-CG 3.49Å; M509-L513 PolarHBondContact O-N 2.84Å
510	T	51.5	Low	47.2	Very low	13 Å²	13	81.7 Å²	81.7	8%	0.08	47%	0.467	C	S	.	.	H	α-helix	trans	-65.5	-39.5	175.2	50	0	0	0	0	111.6	N506 K507 T512 L513 L514 R538 A541	N506-T510 WeakPolarHBondContact O-CG2 3.42Å; N506-T510 PolarHBondContact O-N 2.76Å; N506-T510 PolarHBondContact O-OG1 2.92Å; K507-T510 WeakPolarHBondContact CA-OG1 3.3Å; K507-T510 PolarHBondContact O-N 3.29Å; K507-T510 PolarHBondContact O-OG1 2.89Å; T510-T512 VanDerWaalsContact C-N 3.34Å; T510-T512 PolarHBondContact O-N 2.78Å; T510-L513 PolarHBondContact O-N 3.03Å; T510-L514 VanDerWaalsContact O-CB 3.25Å; T510-L514 WeakPolarHBondContact O-CB 2.99Å; T510-L514 WeakPolarHBondContact O-CD1 3.49Å; T510-L514 WeakPolarHBondContact O-CG 3.28Å; T510-L514 PolarHBondContact O-N 3.14Å; T510-R538 HydrophobicContact CG2-CB 3.71Å; T510-R538 HydrophobicContact CG2-CG 3.68Å; T510-A541 HydrophobicContact CG2-CB 4.35Å
511	E	52.7	Low	48.1	Very low	97 Å²	97	80.6 Å²	80.6	45%	0.453	45%	0.446	S	S	.	.	H	α-helix	trans	-66.6	-34.4	176.2	-79.9	178.4	151.8	0	0	112.7	K507 R508 A515	K507-E511 VanDerWaalsContact O-CB 3.25Å; K507-E511 WeakPolarHBondContact O-CB 3.49Å; K507-E511 VanDerWaalsContact O-CG 3.24Å; K507-E511 WeakPolarHBondContact O-CG 3.32Å; K507-E511 PolarHBondContact O-N 3.32Å; R508-E511 PolarHBondContact O-N 3.11Å; E511-A515 WeakPolarHBondContact O-CB 3.05Å; E511-A515 PolarHBondContact O-N 3.46Å
512	T	53	Low	49.4	Very low	98 Å²	98	81.8 Å²	81.8	60%	0.601	43%	0.432	S	S	*	.	H	α-helix	trans	-71.2	-39.3	176.4	-52.9	0	0	0	0	111.1	R508 M509 T510 A515 S516	R508-T512 WeakPolarHBondContact O-CB 3.47Å; R508-T512 PolarHBondContact O-N 3.04Å; R508-T512 PolarHBondContact O-OG1 3.22Å; M509-T512 PolarHBondContact O-N 3.04Å; T510-T512 VanDerWaalsContact C-N 3.34Å; T510-T512 PolarHBondContact O-N 2.78Å; T512-A515 PolarHBondContact O-N 3.5Å; T512-S516 PolarHBondContact O-N 2.9Å
513	L	50.9	Low	49.8	Very low	58 Å²	58	82.7 Å²	82.7	30%	0.304	43%	0.434	S	S	.	.	H	α-helix	trans	-69.9	-38.2	174.5	-68.5	173.2	0	0	0	111.7	M509 T510 A515 S516 L517 A541	M509-L513 WeakPolarHBondContact O-CG 3.49Å; M509-L513 PolarHBondContact O-N 2.84Å; T510-L513 PolarHBondContact O-N 3.03Å; L513-A515 VanDerWaalsContact C-N 3.34Å; L513-S516 WeakPolarHBondContact O-CB 3.02Å; L513-S516 PolarHBondContact O-N 3.35Å; L513-S516 PolarHBondContact O-OG 2.92Å; L513-L517 WeakPolarHBondContact O-CD1 3.44Å; L513-A541 HydrophobicContact CB-CB 4.38Å
514	L	51.9	Low	50.4	Low	11 Å²	11	82.3 Å²	82.3	6%	0.058	43%	0.429	C	S	.	.	H	α-helix	trans	-73.6	-22.1	173.8	-69.6	168	0	0	0	113.5	T510 L517 I525 L537 A541 L544	T510-L514 VanDerWaalsContact O-CB 3.25Å; T510-L514 WeakPolarHBondContact O-CB 2.99Å; T510-L514 WeakPolarHBondContact O-CD1 3.49Å; T510-L514 WeakPolarHBondContact O-CG 3.28Å; T510-L514 PolarHBondContact O-N 3.14Å; L514-L517 PolarHBondContact O-N 2.86Å; L514-I525 HydrophobicContact CD2-CD1 4.29Å; L514-L537 HydrophobicContact CD1-CD2 3.7Å; L514-A541 HydrophobicContact CD2-CB 4.42Å; L514-A541 HydrophobicContact CG-CB 4.25Å; L514-L544 HydrophobicContact CD2-CD1 3.83Å
515	A	49.2	Very low	51	Low	71 Å²	71	78.3 Å²	78.3	59%	0.587	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.3	171.8	0	0	0	0	0	112.7	E511 T512 L513 L517	E511-A515 WeakPolarHBondContact O-CB 3.05Å; E511-A515 PolarHBondContact O-N 3.46Å; T512-A515 PolarHBondContact O-N 3.5Å; L513-A515 VanDerWaalsContact C-N 3.34Å; A515-L517 VanDerWaalsContact C-N 3.28Å
516	S	47.7	Very low	51.5	Low	95 Å²	95	76.7 Å²	76.7	66%	0.664	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-5	171	76.1	0	0	0	0	113.5	T512 L513	T512-S516 PolarHBondContact O-N 2.9Å; L513-S516 WeakPolarHBondContact O-CB 3.02Å; L513-S516 PolarHBondContact O-N 3.35Å; L513-S516 PolarHBondContact O-OG 2.92Å
517	L	52.3	Low	51.9	Low	32 Å²	32	80 Å²	80	17%	0.168	41%	0.412	C	S	.	.	S	Bend	trans	-103.2	156.3	177.2	-84.5	81.3	0	0	0	110.3	L513 L514 A515 E521 I525 L544	L513-L517 WeakPolarHBondContact O-CD1 3.44Å; L514-L517 PolarHBondContact O-N 2.86Å; A515-L517 VanDerWaalsContact C-N 3.28Å; L517-E521 WeakPolarHBondContact CA-OE2 3.47Å; L517-E521 HydrophobicContact CB-CB 4.14Å; L517-E521 WeakPolarHBondContact CB-OE2 3.35Å; L517-E521 HydrophobicContact CD2-CB 4.07Å; L517-E521 WeakPolarHBondContact CD2-OE2 3.33Å; L517-E521 WeakPolarHBondContact CG-OE2 3.38Å; L517-I525 HydrophobicContact CD2-CD1 4.09Å; L517-L544 HydrophobicContact CD1-CB 4.19Å; L517-L544 HydrophobicContact CD1-CD1 3.52Å; L517-L544 HydrophobicContact CD1-CG 4.29Å; L517-L544 HydrophobicContact CD2-CD1 3.67Å; L517-L544 HydrophobicContact CD2-CD2 3.67Å; L517-L544 HydrophobicContact CD2-CG 4.15Å; L517-L544 HydrophobicContact CG-CD1 4.26Å
518	S	52.1	Low	52.4	Low	54 Å²	54	76.1 Å²	76.1	38%	0.378	40%	0.396	S	S	.	.			trans	-67.2	151.8	-179.2	71.5	0	0	0	0	111.8	H520 E521 R522	S518-H520 PolarHBondContact O-N 3.37Å; S518-E521 PolarHBondContact N-OE2 3.48Å; S518-E521 WeakPolarHBondContact O-CB 3.32Å; S518-E521 PolarHBondContact O-N 3.34Å; S518-E521 WeakPolarHBondContact OG-CG 3.16Å; S518-E521 PolarHBondContact OG-OE1 2.58Å; S518-R522 PolarHBondContact O-N 2.93Å
519	E	49.1	Very low	52.5	Low	147 Å²	147	73.3 Å²	73.3	69%	0.687	40%	0.399	S	S	*	.	H	α-helix	trans	-55.4	-30.1	-175.2	-168.7	168.1	-172	0	0	112.9	Q523	E519-Q523 WeakPolarHBondContact O-CG 3.36Å; E519-Q523 PolarHBondContact O-N 3.22Å
520	H	48.7	Very low	52.7	Low	113 Å²	113	68 Å²	68	52%	0.523	38%	0.375	S	S	.	.	H	α-helix	trans	-71.9	-37.4	176.3	-58.5	89.6	0	0	0	112.9	S518 R522 Q523 V524	S518-H520 PolarHBondContact O-N 3.37Å; H520-R522 VanDerWaalsContact C-N 3.35Å; H520-Q523 PolarHBondContact O-N 3.39Å; H520-V524 WeakPolarHBondContact O-CG2 3.44Å; H520-V524 PolarHBondContact O-N 2.93Å
521	E	57.4	Low	52.7	Low	34 Å²	34	68 Å²	68	16%	0.159	38%	0.376	C	S	.	.	H	α-helix	trans	-66.9	-40.8	177.5	-63.5	164.2	-153.9	0	0	110.6	F439 I441 L517 S518 Q523 V524 I525	F439-E521 HydrophobicContact CE1-CB 4.18Å; F439-E521 HydrophobicContact CE1-CG 3.8Å; F439-E521 HydrophobicContact CZ-CB 4.23Å; F439-E521 HydrophobicContact CZ-CG 4.33Å; I441-E521 VanDerWaalsContact CD1-CD 3.46Å; I441-E521 HydrophobicContact CD1-CG 3.39Å; I441-E521 WeakPolarHBondContact CD1-OE1 3.47Å; I441-E521 HydrophobicContact CG1-CG 3.84Å; L517-E521 WeakPolarHBondContact CA-OE2 3.47Å; L517-E521 HydrophobicContact CB-CB 4.14Å; L517-E521 WeakPolarHBondContact CB-OE2 3.35Å; L517-E521 HydrophobicContact CD2-CB 4.07Å; L517-E521 WeakPolarHBondContact CD2-OE2 3.33Å; L517-E521 WeakPolarHBondContact CG-OE2 3.38Å; S518-E521 PolarHBondContact N-OE2 3.48Å; S518-E521 WeakPolarHBondContact O-CB 3.32Å; S518-E521 PolarHBondContact O-N 3.34Å; S518-E521 WeakPolarHBondContact OG-CG 3.16Å; S518-E521 PolarHBondContact OG-OE1 2.58Å; E521-Q523 VanDerWaalsContact C-N 3.33Å; E521-Q523 PolarHBondContact O-N 3.48Å; E521-V524 PolarHBondContact O-N 2.97Å; E521-I525 WeakPolarHBondContact O-CB 3.29Å; E521-I525 VanDerWaalsContact O-CD1 3.24Å; E521-I525 WeakPolarHBondContact O-CD1 2.98Å; E521-I525 WeakPolarHBondContact O-CG1 3.36Å; E521-I525 PolarHBondContact O-N 2.9Å
522	R	56	Low	52.7	Low	85 Å²	85	71.3 Å²	71.3	32%	0.321	39%	0.392	S	S	.	.	H	α-helix	trans	-61.3	-41.7	175.5	-174.3	176.4	176	129.5	-0.5	111.6	S518 H520 L526	S518-R522 PolarHBondContact O-N 2.93Å; H520-R522 VanDerWaalsContact C-N 3.35Å; R522-L526 HydrophobicContact CG-CD1 3.84Å; R522-L526 WeakPolarHBondContact O-CB 3.36Å; R522-L526 WeakPolarHBondContact O-CD1 3.39Å; R522-L526 WeakPolarHBondContact O-CG 3.29Å; R522-L526 PolarHBondContact O-N 3.3Å
523	Q	51.8	Low	53.1	Low	103 Å²	103	70.5 Å²	70.5	48%	0.481	38%	0.384	S	S	.	.	H	α-helix	trans	-68.2	-40.1	177.8	-71.6	176.8	8.2	0	0	112.3	E519 H520 E521 L526 N527	E519-Q523 WeakPolarHBondContact O-CG 3.36Å; E519-Q523 PolarHBondContact O-N 3.22Å; H520-Q523 PolarHBondContact O-N 3.39Å; E521-Q523 VanDerWaalsContact C-N 3.33Å; E521-Q523 PolarHBondContact O-N 3.48Å; Q523-L526 PolarHBondContact O-N 2.91Å; Q523-N527 WeakPolarHBondContact O-CB 3.39Å; Q523-N527 PolarHBondContact O-N 3.25Å; Q523-N527 VanDerWaalsContact O-N 3.09Å; Q523-N527 PolarHBondContact O-ND2 3.02Å
524	V	53	Low	53.4	Low	49 Å²	49	70.3 Å²	70.3	30%	0.297	39%	0.386	S	S	.	.	H	α-helix	trans	-68.1	-38.8	177.4	172.6	0	0	0	0	111.8	H520 E521 N527 I528 V577	H520-V524 WeakPolarHBondContact O-CG2 3.44Å; H520-V524 PolarHBondContact O-N 2.93Å; E521-V524 PolarHBondContact O-N 2.97Å; V524-N527 PolarHBondContact O-N 2.82Å; V524-I528 WeakPolarHBondContact O-CG1 3.48Å; V524-V577 HydrophobicContact CG1-CG1 4.16Å; V524-V577 HydrophobicContact CG1-CG2 3.54Å
525	I	57.5	Low	53.7	Low	2 Å²	2	75.2 Å²	75.2	1%	0.01	41%	0.408	C	S	.	.	H	α-helix	trans	-67.3	-40.8	176.1	-65.5	158.4	0	0	0	111.2	F439 L514 L517 E521 N527 I528 A531 F540	F439-I525 HydrophobicContact CE2-CD1 4.36Å; F439-I525 HydrophobicContact CE2-CG1 4.39Å; F439-I525 HydrophobicContact CZ-CD1 4.14Å; F439-I525 HydrophobicContact CZ-CG1 4.34Å; L514-I525 HydrophobicContact CD2-CD1 4.29Å; L517-I525 HydrophobicContact CD2-CD1 4.09Å; E521-I525 WeakPolarHBondContact O-CB 3.29Å; E521-I525 VanDerWaalsContact O-CD1 3.24Å; E521-I525 WeakPolarHBondContact O-CD1 2.98Å; E521-I525 WeakPolarHBondContact O-CG1 3.36Å; E521-I525 PolarHBondContact O-N 2.9Å; I525-N527 VanDerWaalsContact C-N 3.31Å; I525-N527 PolarHBondContact O-N 3.24Å; I525-I528 PolarHBondContact O-N 2.97Å; I525-A531 WeakPolarHBondContact O-CB 3.42Å; I525-F540 HydrophobicContact CD1-CD1 4.46Å; I525-F540 HydrophobicContact CD1-CE1 3.63Å; I525-F540 HydrophobicContact CD1-CZ 4.49Å; I525-F540 HydrophobicContact CG1-CE1 3.77Å; I525-F540 HydrophobicContact CG1-CZ 4.38Å; I525-F540 HydrophobicContact CG2-CD1 4.22Å; I525-F540 HydrophobicContact CG2-CE1 4.14Å
526	L	56.6	Low	54.4	Low	97 Å²	97	72.7 Å²	72.7	51%	0.508	39%	0.385	S	S	.	.	H	α-helix	trans	-71.4	-22.8	179.5	-73.2	167.3	0	0	0	113.6	R522 Q523 I528	R522-L526 HydrophobicContact CG-CD1 3.84Å; R522-L526 WeakPolarHBondContact O-CB 3.36Å; R522-L526 WeakPolarHBondContact O-CD1 3.39Å; R522-L526 WeakPolarHBondContact O-CG 3.29Å; R522-L526 PolarHBondContact O-N 3.3Å; Q523-L526 PolarHBondContact O-N 2.91Å; L526-I528 VanDerWaalsContact C-N 3.27Å; L526-I528 PolarHBondContact O-N 3.49Å
527	N	54.1	Low	55.1	Low	134 Å²	134	69.2 Å²	69.2	72%	0.717	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-6.4	177.9	-75.8	-14.8	0	0	0	113.8	Q523 V524 I525	Q523-N527 WeakPolarHBondContact O-CB 3.39Å; Q523-N527 PolarHBondContact O-N 3.25Å; Q523-N527 VanDerWaalsContact O-N 3.09Å; Q523-N527 PolarHBondContact O-ND2 3.02Å; V524-N527 PolarHBondContact O-N 2.82Å; I525-N527 VanDerWaalsContact C-N 3.31Å; I525-N527 PolarHBondContact O-N 3.24Å
528	I	59.5	Low	55.6	Low	16 Å²	16	70.1 Å²	70.1	8%	0.082	36%	0.36	C	S	.	.	S	Bend	trans	-89.4	133.6	-178.6	-54.8	164.4	0	0	0	109.5	V524 I525 L526 A530 A531 F574 V577	V524-I528 WeakPolarHBondContact O-CG1 3.48Å; I525-I528 PolarHBondContact O-N 2.97Å; L526-I528 VanDerWaalsContact C-N 3.27Å; L526-I528 PolarHBondContact O-N 3.49Å; I528-A530 HydrophobicContact CG2-CB 3.87Å; I528-A530 PolarHBondContact O-N 2.82Å; I528-A531 WeakPolarHBondContact O-CB 3.37Å; I528-A531 PolarHBondContact O-N 3.46Å; I528-F574 HydrophobicContact CD1-CD1 3.69Å; I528-F574 HydrophobicContact CD1-CE1 4.17Å; I528-F574 HydrophobicContact CG2-CD1 4.37Å; I528-V577 HydrophobicContact CD1-CB 4.42Å; I528-V577 HydrophobicContact CD1-CG2 3.45Å; I528-V577 VanDerWaalsContact CD1-CG2 3.45Å; I528-V577 HydrophobicContact CG1-CG2 4.35Å
529	P	52.2	Low	56.1	Low	108 Å²	108	70.2 Å²	70.2	70%	0.701	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-59.7	-19.5	177.9	22	-32.3	0	0	0	113.9	A531	P529-A531 VanDerWaalsContact C-N 3.33Å
530	A	50.4	Low	56.8	Low	11 Å²	11	63.2 Å²	63.2	9%	0.091	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-73.3	-18.8	173.7	0	0	0	0	0	114.2	I528 Q532 N533 K573 F574	I528-A530 HydrophobicContact CG2-CB 3.87Å; I528-A530 PolarHBondContact O-N 2.82Å; A530-Q532 PolarHBondContact O-N 3.16Å; A530-N533 PolarHBondContact O-N 2.81Å; A530-K573 HydrophobicContact CB-CB 3.85Å; A530-K573 HydrophobicContact CB-CG 4.44Å; A530-F574 HydrophobicContact CB-CE1 4.07Å; A530-F574 HydrophobicContact CB-CE2 4.3Å; A530-F574 HydrophobicContact CB-CZ 3.92Å
531	A	49.9	Very low	57.4	Low	14 Å²	14	58 Å²	58	12%	0.116	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-76.2	-9.7	175.9	0	0	0	0	0	113.3	I525 I528 P529 N533 L537	I525-A531 WeakPolarHBondContact O-CB 3.42Å; I528-A531 WeakPolarHBondContact O-CB 3.37Å; I528-A531 PolarHBondContact O-N 3.46Å; P529-A531 VanDerWaalsContact C-N 3.33Å; A531-N533 PolarHBondContact O-N 3.35Å; A531-L537 HydrophobicContact CB-CD1 4.15Å
532	Q	53.6	Low	57.6	Low	165 Å²	165	62.7 Å²	62.7	77%	0.771	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-67.5	-21.5	171	-82.5	176	-12.7	0	0	112.7	A530 P534	A530-Q532 PolarHBondContact O-N 3.16Å; Q532-P534 WeakPolarHBondContact O-CD 3.46Å
533	N	60.3	Low	57.9	Low	82 Å²	82	58.9 Å²	58.9	44%	0.439	30%	0.301	S	S	.	.	S	Bend	trans	-86.6	113.4	173.6	-72.2	-22.1	0	0	0	110.2	A530 A531 E535 D536 L537	A530-N533 PolarHBondContact O-N 2.81Å; A531-N533 PolarHBondContact O-N 3.35Å; N533-E535 PolarHBondContact O-N 3.19Å; N533-D536 HydrophobicContact CB-CB 3.96Å; N533-D536 WeakPolarHBondContact CB-OD2 3.43Å; N533-D536 PolarHBondContact ND2-OD2 3.22Å; N533-D536 PolarHBondContact O-N 2.91Å; N533-L537 PolarHBondContact O-N 3.49Å; N533-L537 VanDerWaalsContact O-N 3.08Å
534	P	57.7	Low	58.3	Low	54 Å²	54	54.9 Å²	54.9	35%	0.351	28%	0.283	S	S	.	.	H	α-helix	trans	-67.4	-21.2	-176.6	27.7	-35.1	0	0	0	112.9	D502 Q532 R538	D502-P534 WeakPolarHBondContact OD1-CB 3.2Å; Q532-P534 WeakPolarHBondContact O-CD 3.46Å; P534-R538 VanDerWaalsContact O-CB 3.24Å; P534-R538 WeakPolarHBondContact O-CB 3.48Å; P534-R538 PolarHBondContact O-N 3.15Å; P534-R538 VanDerWaalsContact O-N 3.16Å
535	E	58.9	Low	58.6	Low	113 Å²	113	56.7 Å²	56.7	53%	0.528	29%	0.288	S	S	.	.	H	α-helix	trans	-77.9	-44	175.8	-60.1	-164.7	162.4	0	0	112.4	N533 R538 M539	N533-E535 PolarHBondContact O-N 3.19Å; E535-R538 PolarHBondContact O-N 2.91Å; E535-M539 WeakPolarHBondContact O-CG 3.48Å; E535-M539 PolarHBondContact O-N 3.46Å
536	D	63.5	Low	58.6	Low	18 Å²	18	57.8 Å²	57.8	10%	0.096	29%	0.292	C	S	.	.	H	α-helix	trans	-65.5	-40.5	177	-71.2	-31.5	0	0	0	110.7	N533 M539 F540 K573 F574	N533-D536 HydrophobicContact CB-CB 3.96Å; N533-D536 WeakPolarHBondContact CB-OD2 3.43Å; N533-D536 PolarHBondContact ND2-OD2 3.22Å; N533-D536 PolarHBondContact O-N 2.91Å; D536-M539 PolarHBondContact O-N 2.89Å; D536-M539 VanDerWaalsContact OD1-CE 3.29Å; D536-M539 WeakPolarHBondContact OD1-CE 3.18Å; D536-F540 VanDerWaalsContact O-CB 3.23Å; D536-F540 WeakPolarHBondContact O-CB 3.36Å; D536-F540 PolarHBondContact O-N 3.11Å; D536-K573 IonicContact OD1-NZ 3.35Å; D536-K573 IonicContact OD2-NZ 2.76Å; D536-K573 PolarHBondContact OD2-NZ 3.43Å; D536-F574 HydrophobicContact CB-CE2 4.41Å
537	L	62.3	Low	58.7	Low	23 Å²	23	53.4 Å²	53.4	12%	0.12	27%	0.269	C	S	.	.	H	α-helix	trans	-66	-37.1	175.1	-172.4	163.6	0	0	0	111.8	L514 A531 N533 F540 A541	L514-L537 HydrophobicContact CD1-CD2 3.7Å; A531-L537 HydrophobicContact CB-CD1 4.15Å; N533-L537 PolarHBondContact O-N 3.49Å; N533-L537 VanDerWaalsContact O-N 3.08Å; L537-F540 PolarHBondContact O-N 3.46Å; L537-A541 VanDerWaalsContact O-CB 3.27Å; L537-A541 WeakPolarHBondContact O-CB 3.22Å; L537-A541 PolarHBondContact O-N 3.01Å
538	R	62.7	Low	58.8	Low	51 Å²	51	56.2 Å²	56.2	19%	0.192	27%	0.27	C	S	.	.	H	α-helix	trans	-67.8	-43.9	175	-178.3	-178.9	-57.9	113.2	6.6	112.3	T510 P534 E535 F540 A541 R542	T510-R538 HydrophobicContact CG2-CB 3.71Å; T510-R538 HydrophobicContact CG2-CG 3.68Å; P534-R538 VanDerWaalsContact O-CB 3.24Å; P534-R538 WeakPolarHBondContact O-CB 3.48Å; P534-R538 PolarHBondContact O-N 3.15Å; P534-R538 VanDerWaalsContact O-N 3.16Å; E535-R538 PolarHBondContact O-N 2.91Å; R538-F540 VanDerWaalsContact C-N 3.32Å; R538-A541 PolarHBondContact O-N 3.07Å; R538-R542 WeakPolarHBondContact O-CG 3.28Å; R538-R542 PolarHBondContact O-N 2.65Å
539	M	63	Low	58.4	Low	55 Å²	55	56.3 Å²	56.3	27%	0.271	28%	0.275	S	S	.	.	H	α-helix	trans	-61.4	-45.2	174	-72.2	-171.5	-68.3	0	0	110.1	E535 D536 A541 R542 L543 M562 L570	E535-M539 WeakPolarHBondContact O-CG 3.48Å; E535-M539 PolarHBondContact O-N 3.46Å; D536-M539 PolarHBondContact O-N 2.89Å; D536-M539 VanDerWaalsContact OD1-CE 3.29Å; D536-M539 WeakPolarHBondContact OD1-CE 3.18Å; M539-A541 PolarHBondContact O-N 3.03Å; M539-R542 PolarHBondContact O-N 3.15Å; M539-L543 WeakPolarHBondContact O-CB 3.49Å; M539-L543 WeakPolarHBondContact O-CG 3.46Å; M539-L543 PolarHBondContact O-N 3Å; M539-M562 HydrophobicContact SD-CE 3.38Å; M539-M562 WeakPolarHBondContact SD-CE 3.15Å; M539-L570 HydrophobicContact CB-CD1 3.75Å; M539-L570 HydrophobicContact CE-CD1 4.11Å
540	F	64.3	Low	58.3	Low	1 Å²	1	58.1 Å²	58.1	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-59.3	-49.3	175.8	-172.2	-96.3	0	0	0	111.9	F439 I525 D536 L537 R538 R542 L543 L544 F547 L570 F574 L578	F439-F540 HydrophobicContact CD2-CZ 4.16Å; F439-F540 HydrophobicContact CE2-CE1 4.37Å; F439-F540 AromaticContact CE2-CZ 3.83Å; F439-F540 HydrophobicContact CE2-CZ 3.83Å; I525-F540 HydrophobicContact CD1-CD1 4.46Å; I525-F540 HydrophobicContact CD1-CE1 3.63Å; I525-F540 HydrophobicContact CD1-CZ 4.49Å; I525-F540 HydrophobicContact CG1-CE1 3.77Å; I525-F540 HydrophobicContact CG1-CZ 4.38Å; I525-F540 HydrophobicContact CG2-CD1 4.22Å; I525-F540 HydrophobicContact CG2-CE1 4.14Å; D536-F540 VanDerWaalsContact O-CB 3.23Å; D536-F540 WeakPolarHBondContact O-CB 3.36Å; D536-F540 PolarHBondContact O-N 3.11Å; L537-F540 PolarHBondContact O-N 3.46Å; R538-F540 VanDerWaalsContact C-N 3.32Å; F540-R542 VanDerWaalsContact C-N 3.27Å; F540-R542 PolarHBondContact O-N 3.08Å; F540-L543 CarbonylContact O-C 3.53Å; F540-L543 WeakPolarHBondContact O-CA 3.45Å; F540-L543 PolarHBondContact O-N 3.23Å; F540-L544 HydrophobicContact CD1-CD1 4.45Å; F540-L544 HydrophobicContact CD1-CD2 3.93Å; F540-L544 HydrophobicContact CD1-CG 4.23Å; F540-L544 HydrophobicContact CE1-CD1 4.45Å; F540-L544 HydrophobicContact CE1-CD2 3.32Å; F540-L544 HydrophobicContact CE1-CG 4.11Å; F540-L544 HydrophobicContact CZ-CD2 3.78Å; F540-L544 WeakPolarHBondContact O-CG 3.46Å; F540-L544 PolarHBondContact O-N 3.46Å; F540-L544 VanDerWaalsContact O-N 3.07Å; F540-F547 AromaticContact CD2-CE2 3.73Å; F540-F547 HydrophobicContact CD2-CE2 3.73Å; F540-F547 HydrophobicContact CD2-CZ 4.25Å; F540-F547 HydrophobicContact CE2-CD2 4.17Å; F540-F547 AromaticContact CE2-CE2 3.57Å; F540-F547 HydrophobicContact CE2-CE2 3.57Å; F540-F547 HydrophobicContact CE2-CZ 4.2Å; F540-F547 HydrophobicContact CG-CE2 4.43Å; F540-F547 HydrophobicContact CZ-CD2 4.37Å; F540-F547 HydrophobicContact CZ-CE2 4.15Å; F540-L570 HydrophobicContact CD2-CD2 4.11Å; F540-F574 HydrophobicContact CB-CE2 4.2Å; F540-F574 HydrophobicContact CB-CZ 4.28Å; F540-F574 HydrophobicContact CD2-CD1 4.23Å; F540-F574 AromaticContact CD2-CD2 3.84Å; F540-F574 HydrophobicContact CD2-CD2 3.84Å; F540-F574 HydrophobicContact CD2-CE1 4.44Å; F540-F574 HydrophobicContact CD2-CE2 4.08Å; F540-F574 AromaticContact CD2-CG 3.95Å; F540-F574 HydrophobicContact CD2-CG 3.95Å; F540-F574 HydrophobicContact CD2-CZ 4.38Å; F540-F574 HydrophobicContact CE2-CB 4.23Å; F540-F574 HydrophobicContact CE2-CD1 4.24Å; F540-F574 HydrophobicContact CE2-CD2 4.38Å; F540-F574 HydrophobicContact CE2-CG 4.04Å; F540-F574 HydrophobicContact CG-CE1 4.5Å; F540-F574 HydrophobicContact CG-CE2 4.34Å; F540-F574 HydrophobicContact CG-CZ 4.33Å; F540-L578 HydrophobicContact CE2-CD1 4.06Å; F540-L578 HydrophobicContact CE2-CD2 4.08Å; F540-L578 HydrophobicContact CE2-CG 4.28Å; F540-L578 HydrophobicContact CZ-CD2 4.41Å
541	A	61.1	Low	58.6	Low	3 Å²	3	59.7 Å²	59.7	3%	0.025	28%	0.279	C	S	.	.	H	α-helix	trans	-60.5	-34.9	178.4	0	0	0	0	0	113.3	T510 L513 L514 L537 R538 M539 L543 L544	T510-A541 HydrophobicContact CG2-CB 4.35Å; L513-A541 HydrophobicContact CB-CB 4.38Å; L514-A541 HydrophobicContact CD2-CB 4.42Å; L514-A541 HydrophobicContact CG-CB 4.25Å; L537-A541 VanDerWaalsContact O-CB 3.27Å; L537-A541 WeakPolarHBondContact O-CB 3.22Å; L537-A541 PolarHBondContact O-N 3.01Å; R538-A541 PolarHBondContact O-N 3.07Å; M539-A541 PolarHBondContact O-N 3.03Å; A541-L543 VanDerWaalsContact C-N 3.32Å; A541-L544 HydrophobicContact CB-CD1 4.35Å
542	R	60.7	Low	59.3	Low	132 Å²	132	59.1 Å²	59.1	50%	0.498	27%	0.274	S	S	.	.	H	α-helix	trans	-69.6	-27.2	171.2	-77.5	177.5	64.2	165.6	3	112.9	R538 M539 F540 H545 E560	R538-R542 WeakPolarHBondContact O-CG 3.28Å; R538-R542 PolarHBondContact O-N 2.65Å; M539-R542 PolarHBondContact O-N 3.15Å; F540-R542 VanDerWaalsContact C-N 3.27Å; F540-R542 PolarHBondContact O-N 3.08Å; R542-H545 PolarHBondContact O-CE1 3.08Å; R542-H545 PolarHBondContact O-ND1 3.07Å; R542-E560 IonicContact CZ-OE2 2.64Å; R542-E560 IonicContact NE-OE2 2.81Å; R542-E560 PolarHBondContact NE-OE2 3.08Å; R542-E560 VanDerWaalsContact NE-OE2 3.15Å; R542-E560 IonicContact NH2-OE1 3.11Å; R542-E560 IonicContact NH2-OE2 3.15Å; R542-E560 PolarHBondContact NH2-OE2 3.28Å
543	L	63.3	Low	59.9	Low	6 Å²	6	51.5 Å²	51.5	3%	0.031	24%	0.238	C	C	.	.	H	α-helix	trans	-93.1	-6.1	-177.2	-67.4	172	0	0	0	113.7	M539 F540 A541 H545 Y546 F547 I556 E560 L567 L570	M539-L543 WeakPolarHBondContact O-CB 3.49Å; M539-L543 WeakPolarHBondContact O-CG 3.46Å; M539-L543 PolarHBondContact O-N 3Å; F540-L543 CarbonylContact O-C 3.53Å; F540-L543 WeakPolarHBondContact O-CA 3.45Å; F540-L543 PolarHBondContact O-N 3.23Å; A541-L543 VanDerWaalsContact C-N 3.32Å; L543-H545 VanDerWaalsContact C-N 3.26Å; L543-H545 PolarHBondContact O-N 2.93Å; L543-Y546 HydrophobicContact CD2-CD2 3.79Å; L543-Y546 HydrophobicContact CD2-CE2 4.42Å; L543-Y546 WeakPolarHBondContact O-CA 3.4Å; L543-Y546 WeakPolarHBondContact O-CB 3.32Å; L543-Y546 PolarHBondContact O-N 3.26Å; L543-F547 HydrophobicContact CB-CD2 4.31Å; L543-F547 HydrophobicContact CB-CE1 4.38Å; L543-F547 HydrophobicContact CB-CE2 3.49Å; L543-F547 VanDerWaalsContact CB-CE2 3.49Å; L543-F547 HydrophobicContact CB-CZ 3.53Å; L543-F547 HydrophobicContact CD1-CZ 4.17Å; L543-F547 HydrophobicContact CG-CZ 4.48Å; L543-F547 VanDerWaalsContact O-CD2 3.23Å; L543-F547 WeakPolarHBondContact O-CD2 3.29Å; L543-F547 PolarHBondContact O-N 2.87Å; L543-I556 HydrophobicContact CD2-CG2 3.38Å; L543-E560 HydrophobicContact CD2-CG 3.81Å; L543-L567 HydrophobicContact CD1-CD2 3.66Å; L543-L570 HydrophobicContact CD1-CD2 4.41Å
544	L	60.1	Low	60	Low	19 Å²	19	49.4 Å²	49.4	10%	0.099	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-31.8	-178.3	-74.8	170.3	0	0	0	114	L514 L517 F540 A541 Y546 F547	L514-L544 HydrophobicContact CD2-CD1 3.83Å; L517-L544 HydrophobicContact CD1-CB 4.19Å; L517-L544 HydrophobicContact CD1-CD1 3.52Å; L517-L544 HydrophobicContact CD1-CG 4.29Å; L517-L544 HydrophobicContact CD2-CD1 3.67Å; L517-L544 HydrophobicContact CD2-CD2 3.67Å; L517-L544 HydrophobicContact CD2-CG 4.15Å; L517-L544 HydrophobicContact CG-CD1 4.26Å; F540-L544 HydrophobicContact CD1-CD1 4.45Å; F540-L544 HydrophobicContact CD1-CD2 3.93Å; F540-L544 HydrophobicContact CD1-CG 4.23Å; F540-L544 HydrophobicContact CE1-CD1 4.45Å; F540-L544 HydrophobicContact CE1-CD2 3.32Å; F540-L544 HydrophobicContact CE1-CG 4.11Å; F540-L544 HydrophobicContact CZ-CD2 3.78Å; F540-L544 WeakPolarHBondContact O-CG 3.46Å; F540-L544 PolarHBondContact O-N 3.46Å; F540-L544 VanDerWaalsContact O-N 3.07Å; A541-L544 HydrophobicContact CB-CD1 4.35Å; L544-Y546 VanDerWaalsContact C-N 3.27Å; L544-Y546 PolarHBondContact O-N 3.28Å; L544-F547 HydrophobicContact CD2-CD2 4.04Å
545	H	59.8	Low	60.3	Low	86 Å²	86	47.2 Å²	47.2	40%	0.398	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-25.2	173.6	65.1	-33.5	0	0	0	112.7	R542 L543	R542-H545 PolarHBondContact O-CE1 3.08Å; R542-H545 PolarHBondContact O-ND1 3.07Å; L543-H545 VanDerWaalsContact C-N 3.26Å; L543-H545 PolarHBondContact O-N 2.93Å
546	Y	56	Low	60.7	Low	26 Å²	26	41.9 Å²	41.9	10%	0.102	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-25.3	177.8	-65.3	-48.8	0	0	0	113.5	L543 L544 R548 H551 I556 N559 E560	L543-Y546 HydrophobicContact CD2-CD2 3.79Å; L543-Y546 HydrophobicContact CD2-CE2 4.42Å; L543-Y546 WeakPolarHBondContact O-CA 3.4Å; L543-Y546 WeakPolarHBondContact O-CB 3.32Å; L543-Y546 PolarHBondContact O-N 3.26Å; L544-Y546 VanDerWaalsContact C-N 3.27Å; L544-Y546 PolarHBondContact O-N 3.28Å; Y546-R548 PolarHBondContact O-N 2.73Å; Y546-H551 HydrophobicContact CD1-CB 3.93Å; Y546-H551 AromaticContact CD1-CD2 3.32Å; Y546-H551 WeakPolarHBondContact CD1-CD2 3.4Å; Y546-H551 AromaticContact CD1-CG 3.49Å; Y546-H551 VanDerWaalsContact CD1-CG 3.49Å; Y546-H551 AromaticContact CD1-ND1 3.91Å; Y546-H551 AromaticContact CD1-NE2 3.68Å; Y546-H551 AromaticContact CE1-CD2 3.69Å; Y546-H551 AromaticContact CE1-NE2 3.94Å; Y546-H551 HydrophobicContact CG-CB 4.4Å; Y546-H551 PolarHBondContact O-ND1 3.3Å; Y546-I556 HydrophobicContact CD2-CG1 4.08Å; Y546-I556 HydrophobicContact CD2-CG2 4.46Å; Y546-I556 HydrophobicContact CG-CG1 3.88Å; Y546-N559 HydrophobicContact CE2-CB 4.29Å; Y546-N559 VanDerWaalsContact OH-CB 3.25Å; Y546-N559 WeakPolarHBondContact OH-CB 3.44Å; Y546-N559 PolarHBondContact OH-ND2 3.05Å; Y546-N559 VanDerWaalsContact OH-ND2 3.08Å; Y546-E560 HydrophobicContact CE2-CG 4.06Å
547	F	58.9	Low	60.8	Low	4 Å²	4	42.9 Å²	42.9	2%	0.018	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	13.9	-176.8	-61	-48.9	0	0	0	116.4	V437 F439 F540 L543 L544 G549 F571 L578	V437-F547 HydrophobicContact CB-CD1 3.78Å; V437-F547 HydrophobicContact CB-CE1 4.04Å; V437-F547 HydrophobicContact CG1-CD1 3.47Å; V437-F547 VanDerWaalsContact CG1-CD1 3.47Å; V437-F547 HydrophobicContact CG1-CE1 3.67Å; V437-F547 HydrophobicContact CG1-CG 4.49Å; V437-F547 CarbonylContact O-C 3.52Å; V437-F547 WeakPolarHBondContact O-CA 3.28Å; F439-F547 HydrophobicContact CB-CB 3.9Å; F439-F547 PolarHBondContact N-O 3.28Å; F540-F547 AromaticContact CD2-CE2 3.73Å; F540-F547 HydrophobicContact CD2-CE2 3.73Å; F540-F547 HydrophobicContact CD2-CZ 4.25Å; F540-F547 HydrophobicContact CE2-CD2 4.17Å; F540-F547 AromaticContact CE2-CE2 3.57Å; F540-F547 HydrophobicContact CE2-CE2 3.57Å; F540-F547 HydrophobicContact CE2-CZ 4.2Å; F540-F547 HydrophobicContact CG-CE2 4.43Å; F540-F547 HydrophobicContact CZ-CD2 4.37Å; F540-F547 HydrophobicContact CZ-CE2 4.15Å; L543-F547 HydrophobicContact CB-CD2 4.31Å; L543-F547 HydrophobicContact CB-CE1 4.38Å; L543-F547 HydrophobicContact CB-CE2 3.49Å; L543-F547 VanDerWaalsContact CB-CE2 3.49Å; L543-F547 HydrophobicContact CB-CZ 3.53Å; L543-F547 HydrophobicContact CD1-CZ 4.17Å; L543-F547 HydrophobicContact CG-CZ 4.48Å; L543-F547 VanDerWaalsContact O-CD2 3.23Å; L543-F547 WeakPolarHBondContact O-CD2 3.29Å; L543-F547 PolarHBondContact O-N 2.87Å; L544-F547 HydrophobicContact CD2-CD2 4.04Å; F547-G549 PolarHBondContact O-N 2.89Å; F547-F571 HydrophobicContact CE1-CD1 4.39Å; F547-F571 AromaticContact CE1-CE1 3.63Å; F547-F571 HydrophobicContact CE1-CE1 3.63Å; F547-F571 HydrophobicContact CE1-CZ 4.37Å; F547-F571 HydrophobicContact CZ-CE1 4.02Å; F547-L578 HydrophobicContact CD1-CD2 4.22Å; F547-L578 HydrophobicContact CD2-CD2 4.31Å; F547-L578 HydrophobicContact CE1-CD1 4.35Å; F547-L578 HydrophobicContact CE1-CD2 4.41Å; F547-L578 HydrophobicContact CG-CD2 4.19Å; F547-L578 HydrophobicContact CZ-CD1 4.31Å
548	R	56	Low	60.9	Low	193 Å²	193	45.8 Å²	45.8	73%	0.728	20%	0.201	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-77.8	7.7	175.9	-63.6	-177.6	179.7	177.3	-0.1	113.8	Y546 H550	Y546-R548 PolarHBondContact O-N 2.73Å; R548-H550 PolarHBondContact O-N 3.28Å
549	G	52.2	Low	60.7	Low	18 Å²	18	46.3 Å²	46.3	19%	0.186	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.8	5.2	-177.8	0	0	0	0	0	115.4	Y436 C438 F547	Y436-G549 WeakPolarHBondContact CD1-O 3.17Å; C438-G549 WeakPolarHBondContact SG-CA 3.45Å; F547-G549 PolarHBondContact O-N 2.89Å
550	H	50.6	Low	60.7	Low	147 Å²	147	45.4 Å²	45.4	68%	0.681	20%	0.202	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-99	-9.3	178.3	-65.5	-50.7	0	0	0	114.2	R548	R548-H550 PolarHBondContact O-N 3.28Å
551	H	56	Low	60.6	Low	44 Å²	44	52.2 Å²	52.2	20%	0.204	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	127.1	-174.6	-57.3	84.1	0	0	0	110	Y436 Y546 E555 I556	Y436-H551 WeakPolarHBondContact CD1-O 3.09Å; Y546-H551 HydrophobicContact CD1-CB 3.93Å; Y546-H551 AromaticContact CD1-CD2 3.32Å; Y546-H551 WeakPolarHBondContact CD1-CD2 3.4Å; Y546-H551 AromaticContact CD1-CG 3.49Å; Y546-H551 VanDerWaalsContact CD1-CG 3.49Å; Y546-H551 AromaticContact CD1-ND1 3.91Å; Y546-H551 AromaticContact CD1-NE2 3.68Å; Y546-H551 AromaticContact CE1-CD2 3.69Å; Y546-H551 AromaticContact CE1-NE2 3.94Å; Y546-H551 HydrophobicContact CG-CB 4.4Å; Y546-H551 PolarHBondContact O-ND1 3.3Å; H551-E555 VanDerWaalsContact CD2-CD 3.45Å; H551-E555 IonicContact CD2-OE1 2.79Å; H551-E555 PolarHBondContact CD2-OE1 3.04Å; H551-E555 IonicContact CD2-OE2 2.9Å; H551-E555 IonicContact NE2-OE1 3.11Å; H551-I556 HydrophobicContact CB-CG1 4.32Å
552	H	64.4	Low	60.7	Low	2 Å²	2	54.3 Å²	54.3	1%	0.009	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	157.6	177.1	-67.3	-79.2	0	0	0	112.1	H434 Y436 E554 E555 I556 D585	H434-H552 WeakPolarHBondContact CB-CE1 3.49Å; H434-H552 WeakPolarHBondContact CB-ND1 3.48Å; H434-H552 AromaticContact CG-CE1 3.73Å; H434-H552 AromaticContact CG-ND1 3.61Å; H434-H552 AromaticContact ND1-CE1 3.98Å; Y436-H552 AromaticContact CD1-ND1 3.83Å; Y436-H552 AromaticContact CD2-CE1 3.88Å; Y436-H552 AromaticContact CD2-ND1 3.7Å; Y436-H552 AromaticContact CE1-CD2 3.77Å; Y436-H552 AromaticContact CE1-CE1 3.44Å; Y436-H552 VanDerWaalsContact CE1-CE1 3.44Å; Y436-H552 WeakPolarHBondContact CE1-CE1 3.44Å; Y436-H552 AromaticContact CE1-CG 3.67Å; Y436-H552 AromaticContact CE1-ND1 3.36Å; Y436-H552 WeakPolarHBondContact CE1-ND1 3.3Å; Y436-H552 AromaticContact CE1-NE2 3.56Å; Y436-H552 AromaticContact CE2-CE1 2.99Å; Y436-H552 WeakPolarHBondContact CE2-CE1 3.42Å; Y436-H552 AromaticContact CE2-ND1 3.28Å; Y436-H552 VanDerWaalsContact CE2-ND1 3.28Å; Y436-H552 WeakPolarHBondContact CE2-ND1 3.49Å; Y436-H552 AromaticContact CE2-NE2 3.8Å; Y436-H552 AromaticContact CZ-CD2 3.82Å; Y436-H552 AromaticContact CZ-CE1 2.79Å; Y436-H552 AromaticContact CZ-CG 3.86Å; Y436-H552 AromaticContact CZ-ND1 3.17Å; Y436-H552 AromaticContact CZ-NE2 3.11Å; Y436-H552 PolarHBondContact OH-CE1 3.48Å; Y436-H552 PolarHBondContact OH-NE2 3.22Å; H552-E554 PolarHBondContact O-N 2.72Å; H552-E555 WeakPolarHBondContact O-CB 3.25Å; H552-E555 PolarHBondContact O-N 2.64Å; H552-I556 WeakPolarHBondContact O-CG1 3.47Å; H552-I556 PolarHBondContact O-N 3.15Å; H552-D585 VanDerWaalsContact CD2-CG 3.49Å; H552-D585 IonicContact CD2-OD1 3.08Å; H552-D585 IonicContact CD2-OD2 2.84Å; H552-D585 PolarHBondContact CD2-OD2 3.46Å; H552-D585 IonicContact CE1-OD1 2.69Å; H552-D585 IonicContact CE1-OD2 3.69Å; H552-D585 WeakPolarHBondContact NE2-CA 3.25Å; H552-D585 WeakPolarHBondContact NE2-CB 3.49Å; H552-D585 IonicContact NE2-OD1 3.91Å; H552-D585 PolarHBondContact NE2-OD1 3.46Å; H552-D585 IonicContact NE2-OD2 3.64Å; H552-D585 PolarHBondContact NE2-OD2 3.06Å; H552-D585 VanDerWaalsContact NE2-OD2 3.1Å
553	L	65.9	Low	60.8	Low	5 Å²	5	56.6 Å²	56.6	3%	0.026	26%	0.257	C	S	.	.	H	α-helix	trans	-52.5	-40.4	173.1	-177.2	54.6	0	0	0	113.5	T435 E555 I556 M557 R564 L567 F571	T435-L553 WeakPolarHBondContact O-CB 3.49Å; T435-L553 PolarHBondContact O-N 3.4Å; T435-L553 VanDerWaalsContact O-N 3.11Å; T435-L553 VanDerWaalsContact OG1-CB 3.29Å; T435-L553 WeakPolarHBondContact OG1-CB 3.39Å; T435-L553 WeakPolarHBondContact OG1-CD2 3.36Å; L553-E555 VanDerWaalsContact C-N 3.34Å; L553-E555 PolarHBondContact O-N 3.27Å; L553-I556 PolarHBondContact O-N 3.21Å; L553-M557 HydrophobicContact CD1-CG 4.45Å; L553-M557 HydrophobicContact CG-SD 4.22Å; L553-M557 WeakPolarHBondContact O-CB 3.19Å; L553-M557 VanDerWaalsContact O-CG 3.29Å; L553-M557 WeakPolarHBondContact O-CG 3.29Å; L553-M557 PolarHBondContact O-N 3.42Å; L553-R564 HydrophobicContact CD2-CG 4.41Å; L553-L567 HydrophobicContact CD1-CB 4.16Å; L553-L567 HydrophobicContact CD1-CD1 3.92Å; L553-F571 HydrophobicContact CD1-CE2 3.52Å; L553-F571 HydrophobicContact CD1-CZ 3.85Å
554	E	63.7	Low	61	Low	37 Å²	37	58.2 Å²	58.2	17%	0.173	26%	0.263	C	S	.	.	H	α-helix	trans	-67.3	-33.9	179.1	-63.1	-60.7	148.3	0	0	112.5	F353 H552 M557 Y558 R564	F353-E554 HydrophobicContact CD1-CG 4.47Å; F353-E554 HydrophobicContact CE1-CB 4.24Å; H552-E554 PolarHBondContact O-N 2.72Å; E554-M557 PolarHBondContact O-N 3.43Å; E554-Y558 WeakPolarHBondContact O-CB 3.23Å; E554-Y558 PolarHBondContact O-N 3.41Å; E554-R564 IonicContact OE1-CZ 3.83Å; E554-R564 IonicContact OE1-NH1 2.81Å; E554-R564 PolarHBondContact OE1-NH1 2.9Å
555	E	63.8	Low	61.3	Low	8 Å²	8	60.9 Å²	60.9	4%	0.037	28%	0.283	C	S	.	.	H	α-helix	trans	-70.3	-39.7	175.6	179.2	177.6	-177.1	0	0	111.4	R283 Y285 H551 H552 L553 Y558 N559	R283-E555 IonicContact CZ-OE1 2.73Å; R283-E555 IonicContact CZ-OE2 2.58Å; R283-E555 VanDerWaalsContact NH1-CD 3.27Å; R283-E555 IonicContact NH1-OE1 3.86Å; R283-E555 PolarHBondContact NH1-OE1 3.34Å; R283-E555 IonicContact NH1-OE2 3.15Å; R283-E555 IonicContact NH2-OE1 3.54Å; R283-E555 PolarHBondContact NH2-OE1 3.46Å; R283-E555 IonicContact NH2-OE2 3.95Å; R283-E555 PolarHBondContact NH2-OE2 2.94Å; Y285-E555 HydrophobicContact CE1-CB 4.35Å; Y285-E555 HydrophobicContact CE1-CG 4.49Å; H551-E555 VanDerWaalsContact CD2-CD 3.45Å; H551-E555 IonicContact CD2-OE1 2.79Å; H551-E555 PolarHBondContact CD2-OE1 3.04Å; H551-E555 IonicContact CD2-OE2 2.9Å; H551-E555 IonicContact NE2-OE1 3.11Å; H552-E555 WeakPolarHBondContact O-CB 3.25Å; H552-E555 PolarHBondContact O-N 2.64Å; L553-E555 VanDerWaalsContact C-N 3.34Å; L553-E555 PolarHBondContact O-N 3.27Å; E555-Y558 PolarHBondContact O-N 2.9Å; E555-N559 WeakPolarHBondContact O-CB 3.47Å; E555-N559 VanDerWaalsContact O-CG 3.24Å; E555-N559 PolarHBondContact O-N 3.29Å; E555-N559 PolarHBondContact O-ND2 3.47Å
556	I	66.4	Low	61.6	Low	1 Å²	1	61 Å²	61	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-64.5	-44.1	174.8	-65.4	170.1	0	0	0	110.3	L543 Y546 H551 H552 L553 Y558 E560 L567	L543-I556 HydrophobicContact CD2-CG2 3.38Å; Y546-I556 HydrophobicContact CD2-CG1 4.08Å; Y546-I556 HydrophobicContact CD2-CG2 4.46Å; Y546-I556 HydrophobicContact CG-CG1 3.88Å; H551-I556 HydrophobicContact CB-CG1 4.32Å; H552-I556 WeakPolarHBondContact O-CG1 3.47Å; H552-I556 PolarHBondContact O-N 3.15Å; L553-I556 PolarHBondContact O-N 3.21Å; I556-Y558 VanDerWaalsContact C-N 3.33Å; I556-Y558 PolarHBondContact O-N 2.7Å; I556-E560 WeakPolarHBondContact O-CB 3.43Å; I556-E560 PolarHBondContact O-N 3.43Å; I556-E560 VanDerWaalsContact O-N 3.11Å; I556-L567 HydrophobicContact CG2-CD1 3.99Å; I556-L567 HydrophobicContact CG2-CD2 3.97Å
557	M	66.8	Low	62.2	Low	39 Å²	39	59.9 Å²	59.9	19%	0.192	28%	0.279	C	S	.	.	H	α-helix	trans	-59.1	-44	175.1	-77.7	176.5	54.1	0	0	112	L553 E554 N561 M562 R564 L567	L553-M557 HydrophobicContact CD1-CG 4.45Å; L553-M557 HydrophobicContact CG-SD 4.22Å; L553-M557 WeakPolarHBondContact O-CB 3.19Å; L553-M557 VanDerWaalsContact O-CG 3.29Å; L553-M557 WeakPolarHBondContact O-CG 3.29Å; L553-M557 PolarHBondContact O-N 3.42Å; E554-M557 PolarHBondContact O-N 3.43Å; M557-N561 WeakPolarHBondContact O-CA 3.4Å; M557-N561 PolarHBondContact O-N 2.8Å; M557-M562 PolarHBondContact O-N 3.5Å; M557-R564 HydrophobicContact CE-CB 3.82Å; M557-R564 HydrophobicContact SD-CB 3.67Å; M557-R564 HydrophobicContact SD-CG 3.91Å; M557-L567 HydrophobicContact CB-CD1 4.36Å; M557-L567 HydrophobicContact CG-CD1 3.37Å
558	Y	62.7	Low	62.7	Low	85 Å²	85	63.9 Å²	63.9	33%	0.333	30%	0.297	S	S	.	.	H	α-helix	trans	-70.8	-45.6	-178.3	-176.6	-94.4	0	0	0	112.7	P284 Y285 E554 E555 I556 E560	P284-Y558 HydrophobicContact CB-CE2 4.3Å; P284-Y558 HydrophobicContact CG-CE1 4.33Å; P284-Y558 HydrophobicContact CG-CE2 4.5Å; P284-Y558 WeakPolarHBondContact CG-OH 3.03Å; Y285-Y558 HydrophobicContact CD1-CD1 4.27Å; Y285-Y558 HydrophobicContact CD1-CG 4.07Å; E554-Y558 WeakPolarHBondContact O-CB 3.23Å; E554-Y558 PolarHBondContact O-N 3.41Å; E555-Y558 PolarHBondContact O-N 2.9Å; I556-Y558 VanDerWaalsContact C-N 3.33Å; I556-Y558 PolarHBondContact O-N 2.7Å; Y558-E560 PolarHBondContact O-N 2.64Å
559	N	60.4	Low	63.3	Low	62 Å²	62	58 Å²	58	33%	0.332	28%	0.282	S	S	.	.	H	α-helix	trans	-69.7	-33.9	-177.3	-68.7	-20.3	0	0	0	112.5	Y546 E555	Y546-N559 HydrophobicContact CE2-CB 4.29Å; Y546-N559 VanDerWaalsContact OH-CB 3.25Å; Y546-N559 WeakPolarHBondContact OH-CB 3.44Å; Y546-N559 PolarHBondContact OH-ND2 3.05Å; Y546-N559 VanDerWaalsContact OH-ND2 3.08Å; E555-N559 WeakPolarHBondContact O-CB 3.47Å; E555-N559 VanDerWaalsContact O-CG 3.24Å; E555-N559 PolarHBondContact O-N 3.29Å; E555-N559 PolarHBondContact O-ND2 3.47Å
560	E	61.8	Low	64	Low	36 Å²	36	57.4 Å²	57.4	17%	0.168	28%	0.275	C	S	.	.	H	α-helix	trans	-100.2	-2.9	-178	-63.5	-71	151	0	0	113.3	R542 L543 Y546 I556 Y558 M562	R542-E560 IonicContact CZ-OE2 2.64Å; R542-E560 IonicContact NE-OE2 2.81Å; R542-E560 PolarHBondContact NE-OE2 3.08Å; R542-E560 VanDerWaalsContact NE-OE2 3.15Å; R542-E560 IonicContact NH2-OE1 3.11Å; R542-E560 IonicContact NH2-OE2 3.15Å; R542-E560 PolarHBondContact NH2-OE2 3.28Å; L543-E560 HydrophobicContact CD2-CG 3.81Å; Y546-E560 HydrophobicContact CE2-CG 4.06Å; I556-E560 WeakPolarHBondContact O-CB 3.43Å; I556-E560 PolarHBondContact O-N 3.43Å; I556-E560 VanDerWaalsContact O-N 3.11Å; Y558-E560 PolarHBondContact O-N 2.64Å; E560-M562 HydrophobicContact CB-CB 4.46Å; E560-M562 HydrophobicContact CB-CG 3.77Å; E560-M562 WeakPolarHBondContact O-CG 3.36Å; E560-M562 PolarHBondContact O-N 3.44Å
561	N	61.9	Low	64.9	Low	144 Å²	144	50.9 Å²	50.9	77%	0.77	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	50	36.8	-173.8	-74.1	-48.6	0	0	0	113.6	M557	M557-N561 WeakPolarHBondContact O-CA 3.4Å; M557-N561 PolarHBondContact O-N 2.8Å
562	M	64.1	Low	65.3	Low	46 Å²	46	53.8 Å²	53.8	23%	0.227	26%	0.262	C	S	.	.			trans	-97.2	144.7	-175.4	-70	-63.3	-69.2	0	0	111.9	M539 M557 E560 Q566 L567	M539-M562 HydrophobicContact SD-CE 3.38Å; M539-M562 WeakPolarHBondContact SD-CE 3.15Å; M557-M562 PolarHBondContact O-N 3.5Å; E560-M562 HydrophobicContact CB-CB 4.46Å; E560-M562 HydrophobicContact CB-CG 3.77Å; E560-M562 WeakPolarHBondContact O-CG 3.36Å; E560-M562 PolarHBondContact O-N 3.44Å; M562-Q566 HydrophobicContact CE-CB 4.04Å; M562-Q566 VanDerWaalsContact CE-OE1 3.31Å; M562-L567 HydrophobicContact CB-CD1 4.08Å; M562-L567 HydrophobicContact CB-CG 4.13Å
563	R	62.9	Low	65.5	Low	180 Å²	180	57.7 Å²	57.7	68%	0.679	28%	0.278	S	S	*	.			trans	-72.9	141.5	176.5	-61.2	-175.7	-163.3	170.6	6.2	110.5	S565 Q566 L567	R563-S565 PolarHBondContact O-N 2.98Å; R563-S565 VanDerWaalsContact O-N 3.14Å; R563-Q566 HydrophobicContact CB-CG 4.36Å; R563-Q566 WeakPolarHBondContact O-CB 3.38Å; R563-Q566 PolarHBondContact O-N 3.27Å; R563-L567 PolarHBondContact O-N 3.16Å; R563-L567 VanDerWaalsContact O-N 3.15Å
564	R	66.7	Low	65.3	Low	41 Å²	41	57.5 Å²	57.5	16%	0.155	28%	0.277	C	S	.	.	H	α-helix	trans	-52.6	-37.2	176.9	-166.6	179.6	-174.5	90.4	-7.1	113	L553 E554 M557 L567 K568	L553-R564 HydrophobicContact CD2-CG 4.41Å; E554-R564 IonicContact OE1-CZ 3.83Å; E554-R564 IonicContact OE1-NH1 2.81Å; E554-R564 PolarHBondContact OE1-NH1 2.9Å; M557-R564 HydrophobicContact CE-CB 3.82Å; M557-R564 HydrophobicContact SD-CB 3.67Å; M557-R564 HydrophobicContact SD-CG 3.91Å; R564-L567 PolarHBondContact O-N 2.83Å; R564-K568 HydrophobicContact CG-CD 4.36Å; R564-K568 HydrophobicContact CG-CG 4.42Å; R564-K568 WeakPolarHBondContact O-CB 3.14Å; R564-K568 WeakPolarHBondContact O-CG 3.45Å; R564-K568 PolarHBondContact O-N 3.42Å
565	S	66.4	Low	65	Low	74 Å²	74	64.5 Å²	64.5	52%	0.517	30%	0.302	S	S	.	.	H	α-helix	trans	-65.1	-40.1	178.4	53.6	0	0	0	0	112.5	R563 T569	R563-S565 PolarHBondContact O-N 2.98Å; R563-S565 VanDerWaalsContact O-N 3.14Å; S565-T569 VanDerWaalsContact O-CB 3.28Å; S565-T569 WeakPolarHBondContact O-CB 3.19Å; S565-T569 PolarHBondContact O-N 3.29Å; S565-T569 PolarHBondContact O-OG1 3.33Å
566	Q	65.6	Low	64.7	Low	89 Å²	89	68.5 Å²	68.5	42%	0.416	33%	0.331	S	S	.	.	H	α-helix	trans	-67.8	-42.8	177.7	-68.2	170	-26.5	0	0	110.7	M562 R563 T569 L570	M562-Q566 HydrophobicContact CE-CB 4.04Å; M562-Q566 VanDerWaalsContact CE-OE1 3.31Å; R563-Q566 HydrophobicContact CB-CG 4.36Å; R563-Q566 WeakPolarHBondContact O-CB 3.38Å; R563-Q566 PolarHBondContact O-N 3.27Å; Q566-T569 PolarHBondContact O-N 3.09Å; Q566-L570 VanDerWaalsContact O-CB 3.29Å; Q566-L570 WeakPolarHBondContact O-CB 3.41Å; Q566-L570 PolarHBondContact O-N 3.25Å
567	L	69.1	Low	64.3	Low	2 Å²	2	68.8 Å²	68.8	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-66.4	-43.7	175.5	-76.8	168	0	0	0	112.7	L543 L553 I556 M557 M562 R563 R564 L570 F571	L543-L567 HydrophobicContact CD1-CD2 3.66Å; L553-L567 HydrophobicContact CD1-CB 4.16Å; L553-L567 HydrophobicContact CD1-CD1 3.92Å; I556-L567 HydrophobicContact CG2-CD1 3.99Å; I556-L567 HydrophobicContact CG2-CD2 3.97Å; M557-L567 HydrophobicContact CB-CD1 4.36Å; M557-L567 HydrophobicContact CG-CD1 3.37Å; M562-L567 HydrophobicContact CB-CD1 4.08Å; M562-L567 HydrophobicContact CB-CG 4.13Å; R563-L567 PolarHBondContact O-N 3.16Å; R563-L567 VanDerWaalsContact O-N 3.15Å; R564-L567 PolarHBondContact O-N 2.83Å; L567-L570 CarbonylContact O-C 3.58Å; L567-L570 WeakPolarHBondContact O-CB 3.33Å; L567-L570 PolarHBondContact O-N 3.22Å; L567-F571 HydrophobicContact CB-CE2 4.41Å; L567-F571 HydrophobicContact CB-CZ 4.32Å; L567-F571 HydrophobicContact CD2-CZ 4.37Å; L567-F571 WeakPolarHBondContact O-CD1 3.24Å; L567-F571 WeakPolarHBondContact O-CD2 3.1Å; L567-F571 VanDerWaalsContact O-CG 3.22Å; L567-F571 WeakPolarHBondContact O-CG 3.45Å; L567-F571 PolarHBondContact O-N 3.05Å
568	K	68.9	Low	64	Low	89 Å²	89	67.1 Å²	67.1	39%	0.387	33%	0.325	S	S	.	.	H	α-helix	trans	-61.8	-44.2	174.6	-79.1	-173.5	170.7	-167.8	0	111.8	R564 L570 F571 D572	R564-K568 HydrophobicContact CG-CD 4.36Å; R564-K568 HydrophobicContact CG-CG 4.42Å; R564-K568 WeakPolarHBondContact O-CB 3.14Å; R564-K568 WeakPolarHBondContact O-CG 3.45Å; R564-K568 PolarHBondContact O-N 3.42Å; K568-L570 PolarHBondContact O-N 2.93Å; K568-F571 PolarHBondContact O-N 3.03Å; K568-F571 VanDerWaalsContact O-N 3.16Å; K568-D572 WeakPolarHBondContact O-CB 3.18Å; K568-D572 VanDerWaalsContact O-CG 3.32Å; K568-D572 PolarHBondContact O-N 3.43Å
569	T	69.2	Low	63.9	Low	69 Å²	69	66.7 Å²	66.7	42%	0.423	33%	0.327	S	S	.	.	H	α-helix	trans	-60.4	-38.7	175.2	-55.2	0	0	0	0	110.9	S565 Q566 D572 K573	S565-T569 VanDerWaalsContact O-CB 3.28Å; S565-T569 WeakPolarHBondContact O-CB 3.19Å; S565-T569 PolarHBondContact O-N 3.29Å; S565-T569 PolarHBondContact O-OG1 3.33Å; Q566-T569 PolarHBondContact O-N 3.09Å; T569-D572 PolarHBondContact O-N 3.44Å; T569-K573 HydrophobicContact CG2-CD 4.26Å; T569-K573 WeakPolarHBondContact O-CB 3.09Å; T569-K573 WeakPolarHBondContact O-CG 3.07Å; T569-K573 PolarHBondContact O-N 3.03Å
570	L	67.6	Low	64	Low	5 Å²	5	67.1 Å²	67.1	3%	0.026	33%	0.332	C	S	.	.	H	α-helix	trans	-67	-43.7	175.6	-167.8	146.9	0	0	0	111	M539 F540 L543 Q566 L567 K568 D572 K573 F574	M539-L570 HydrophobicContact CB-CD1 3.75Å; M539-L570 HydrophobicContact CE-CD1 4.11Å; F540-L570 HydrophobicContact CD2-CD2 4.11Å; L543-L570 HydrophobicContact CD1-CD2 4.41Å; Q566-L570 VanDerWaalsContact O-CB 3.29Å; Q566-L570 WeakPolarHBondContact O-CB 3.41Å; Q566-L570 PolarHBondContact O-N 3.25Å; L567-L570 CarbonylContact O-C 3.58Å; L567-L570 WeakPolarHBondContact O-CB 3.33Å; L567-L570 PolarHBondContact O-N 3.22Å; K568-L570 PolarHBondContact O-N 2.93Å; L570-D572 PolarHBondContact O-N 3.46Å; L570-K573 WeakPolarHBondContact O-CB 3.39Å; L570-K573 PolarHBondContact O-N 3.05Å; L570-F574 HydrophobicContact CD2-CD2 3.76Å; L570-F574 HydrophobicContact CD2-CE2 4.21Å; L570-F574 HydrophobicContact CG-CD2 3.84Å; L570-F574 HydrophobicContact CG-CE2 3.98Å; L570-F574 WeakPolarHBondContact O-CB 3.32Å; L570-F574 WeakPolarHBondContact O-CD2 3.23Å; L570-F574 PolarHBondContact O-N 3.26Å
571	F	68.5	Low	63.7	Low	11 Å²	11	66.9 Å²	66.9	5%	0.048	33%	0.333	C	S	.	.	H	α-helix	trans	-64.3	-37.8	174.4	-58.6	-23.5	0	0	0	113	V437 F547 L553 L567 K568 K573 F574 R575 L578	V437-F571 HydrophobicContact CB-CZ 4.47Å; V437-F571 HydrophobicContact CG1-CE1 4.42Å; V437-F571 HydrophobicContact CG2-CD1 4.3Å; V437-F571 HydrophobicContact CG2-CD2 3.98Å; V437-F571 HydrophobicContact CG2-CE1 3.94Å; V437-F571 HydrophobicContact CG2-CE2 3.54Å; V437-F571 HydrophobicContact CG2-CG 4.35Å; V437-F571 HydrophobicContact CG2-CZ 3.53Å; F547-F571 HydrophobicContact CE1-CD1 4.39Å; F547-F571 AromaticContact CE1-CE1 3.63Å; F547-F571 HydrophobicContact CE1-CE1 3.63Å; F547-F571 HydrophobicContact CE1-CZ 4.37Å; F547-F571 HydrophobicContact CZ-CE1 4.02Å; L553-F571 HydrophobicContact CD1-CE2 3.52Å; L553-F571 HydrophobicContact CD1-CZ 3.85Å; L567-F571 HydrophobicContact CB-CE2 4.41Å; L567-F571 HydrophobicContact CB-CZ 4.32Å; L567-F571 HydrophobicContact CD2-CZ 4.37Å; L567-F571 WeakPolarHBondContact O-CD1 3.24Å; L567-F571 WeakPolarHBondContact O-CD2 3.1Å; L567-F571 VanDerWaalsContact O-CG 3.22Å; L567-F571 WeakPolarHBondContact O-CG 3.45Å; L567-F571 PolarHBondContact O-N 3.05Å; K568-F571 PolarHBondContact O-N 3.03Å; K568-F571 VanDerWaalsContact O-N 3.16Å; F571-K573 VanDerWaalsContact C-N 3.34Å; F571-F574 CarbonylContact O-C 3.58Å; F571-F574 PolarHBondContact O-N 2.92Å; F571-R575 VanDerWaalsContact O-CA 3.28Å; F571-R575 WeakPolarHBondContact O-CA 3.27Å; F571-R575 WeakPolarHBondContact O-CB 3.5Å; F571-R575 PolarHBondContact O-N 3.44Å; F571-L578 HydrophobicContact CD1-CD1 3.77Å
572	D	65.4	Low	63.6	Low	105 Å²	105	63.7 Å²	63.7	56%	0.561	32%	0.316	S	S	*	.	H	α-helix	trans	-66.7	-38.3	176	-71.3	-30.6	0	0	0	111.2	K568 T569 L570 R575	K568-D572 WeakPolarHBondContact O-CB 3.18Å; K568-D572 VanDerWaalsContact O-CG 3.32Å; K568-D572 PolarHBondContact O-N 3.43Å; T569-D572 PolarHBondContact O-N 3.44Å; L570-D572 PolarHBondContact O-N 3.46Å; D572-R575 WeakPolarHBondContact O-CB 3.42Å
573	K	67.2	Low	63.2	Low	83 Å²	83	66.4 Å²	66.4	36%	0.361	33%	0.328	S	S	.	.	H	α-helix	trans	-66.2	-34.3	173.4	-76.7	171.5	175.8	-178.1	0	113.1	A530 D536 T569 L570 F571	A530-K573 HydrophobicContact CB-CB 3.85Å; A530-K573 HydrophobicContact CB-CG 4.44Å; D536-K573 IonicContact OD1-NZ 3.35Å; D536-K573 IonicContact OD2-NZ 2.76Å; D536-K573 PolarHBondContact OD2-NZ 3.43Å; T569-K573 HydrophobicContact CG2-CD 4.26Å; T569-K573 WeakPolarHBondContact O-CB 3.09Å; T569-K573 WeakPolarHBondContact O-CG 3.07Å; T569-K573 PolarHBondContact O-N 3.03Å; L570-K573 WeakPolarHBondContact O-CB 3.39Å; L570-K573 PolarHBondContact O-N 3.05Å; F571-K573 VanDerWaalsContact C-N 3.34Å
574	F	61.4	Low	63	Low	1 Å²	1	59.7 Å²	59.7	0%	0.004	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.1	18.4	-179.1	-68.7	-74.9	0	0	0	113.3	I528 A530 D536 F540 L570 F571 S576 V577 L578	I528-F574 HydrophobicContact CD1-CD1 3.69Å; I528-F574 HydrophobicContact CD1-CE1 4.17Å; I528-F574 HydrophobicContact CG2-CD1 4.37Å; A530-F574 HydrophobicContact CB-CE1 4.07Å; A530-F574 HydrophobicContact CB-CE2 4.3Å; A530-F574 HydrophobicContact CB-CZ 3.92Å; D536-F574 HydrophobicContact CB-CE2 4.41Å; F540-F574 HydrophobicContact CB-CE2 4.2Å; F540-F574 HydrophobicContact CB-CZ 4.28Å; F540-F574 HydrophobicContact CD2-CD1 4.23Å; F540-F574 AromaticContact CD2-CD2 3.84Å; F540-F574 HydrophobicContact CD2-CD2 3.84Å; F540-F574 HydrophobicContact CD2-CE1 4.44Å; F540-F574 HydrophobicContact CD2-CE2 4.08Å; F540-F574 AromaticContact CD2-CG 3.95Å; F540-F574 HydrophobicContact CD2-CG 3.95Å; F540-F574 HydrophobicContact CD2-CZ 4.38Å; F540-F574 HydrophobicContact CE2-CB 4.23Å; F540-F574 HydrophobicContact CE2-CD1 4.24Å; F540-F574 HydrophobicContact CE2-CD2 4.38Å; F540-F574 HydrophobicContact CE2-CG 4.04Å; F540-F574 HydrophobicContact CG-CE1 4.5Å; F540-F574 HydrophobicContact CG-CE2 4.34Å; F540-F574 HydrophobicContact CG-CZ 4.33Å; L570-F574 HydrophobicContact CD2-CD2 3.76Å; L570-F574 HydrophobicContact CD2-CE2 4.21Å; L570-F574 HydrophobicContact CG-CD2 3.84Å; L570-F574 HydrophobicContact CG-CE2 3.98Å; L570-F574 WeakPolarHBondContact O-CB 3.32Å; L570-F574 WeakPolarHBondContact O-CD2 3.23Å; L570-F574 PolarHBondContact O-N 3.26Å; F571-F574 CarbonylContact O-C 3.58Å; F571-F574 PolarHBondContact O-N 2.92Å; F574-S576 PolarHBondContact O-N 3.4Å; F574-V577 PolarHBondContact O-N 2.84Å; F574-L578 HydrophobicContact CB-CD1 3.69Å; F574-L578 HydrophobicContact CB-CG 4.09Å; F574-L578 PolarHBondContact O-N 3.49Å
575	R	59.2	Low	62.5	Low	184 Å²	184	58.3 Å²	58.3	69%	0.694	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-23.1	-176.4	-173.3	179.3	-179.6	107.1	3	113.5	F571 D572 V577	F571-R575 VanDerWaalsContact O-CA 3.28Å; F571-R575 WeakPolarHBondContact O-CA 3.27Å; F571-R575 WeakPolarHBondContact O-CB 3.5Å; F571-R575 PolarHBondContact O-N 3.44Å; D572-R575 WeakPolarHBondContact O-CB 3.42Å; R575-V577 PolarHBondContact O-N 3.41Å
576	S	55.8	Low	61.9	Low	92 Å²	92	58.7 Å²	58.7	64%	0.643	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.3	176.6	50.7	0	0	0	0	114	F574	F574-S576 PolarHBondContact O-N 3.4Å
577	V	58.5	Low	61.2	Low	7 Å²	7	57.2 Å²	57.2	4%	0.042	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.2	-18.7	-176.2	-171.1	0	0	0	0	112.2	F439 L440 V524 I528 F574 R575	F439-V577 HydrophobicContact CD2-CG1 3.8Å; F439-V577 HydrophobicContact CE2-CB 4.39Å; F439-V577 HydrophobicContact CE2-CG1 3.19Å; F439-V577 HydrophobicContact CZ-CG1 3.62Å; L440-V577 PolarHBondContact N-O 3.4Å; L440-V577 VanDerWaalsContact N-O 3.08Å; V524-V577 HydrophobicContact CG1-CG1 4.16Å; V524-V577 HydrophobicContact CG1-CG2 3.54Å; I528-V577 HydrophobicContact CD1-CB 4.42Å; I528-V577 HydrophobicContact CD1-CG2 3.45Å; I528-V577 VanDerWaalsContact CD1-CG2 3.45Å; I528-V577 HydrophobicContact CG1-CG2 4.35Å; F574-V577 PolarHBondContact O-N 2.84Å; R575-V577 PolarHBondContact O-N 3.41Å
578	L	61.2	Low	60.6	Low	5 Å²	5	57.6 Å²	57.6	3%	0.026	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	125.2	179.5	-61.6	179.2	0	0	0	110.4	V437 F439 F540 F547 F571 F574	V437-L578 HydrophobicContact CG1-CB 3.89Å; V437-L578 HydrophobicContact CG1-CD1 3.98Å; V437-L578 HydrophobicContact CG1-CD2 3.79Å; V437-L578 HydrophobicContact CG1-CG 4.1Å; F439-L578 HydrophobicContact CD2-CD2 3.83Å; F540-L578 HydrophobicContact CE2-CD1 4.06Å; F540-L578 HydrophobicContact CE2-CD2 4.08Å; F540-L578 HydrophobicContact CE2-CG 4.28Å; F540-L578 HydrophobicContact CZ-CD2 4.41Å; F547-L578 HydrophobicContact CD1-CD2 4.22Å; F547-L578 HydrophobicContact CD2-CD2 4.31Å; F547-L578 HydrophobicContact CE1-CD1 4.35Å; F547-L578 HydrophobicContact CE1-CD2 4.41Å; F547-L578 HydrophobicContact CG-CD2 4.19Å; F547-L578 HydrophobicContact CZ-CD1 4.31Å; F571-L578 HydrophobicContact CD1-CD1 3.77Å; F574-L578 HydrophobicContact CB-CD1 3.69Å; F574-L578 HydrophobicContact CB-CG 4.09Å; F574-L578 PolarHBondContact O-N 3.49Å
579	I	60.8	Low	59.6	Low	75 Å²	75	54 Å²	54	39%	0.385	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	121.2	163.8	-60.1	-175.3	0	0	0	107.8	C438 L440 T581	C438-I579 PolarHBondContact N-O 2.81Å; C438-I579 PolarHBondContact O-N 3.41Å; L440-I579 HydrophobicContact CB-CD1 3.62Å; L440-I579 HydrophobicContact CB-CG1 3.78Å; L440-I579 HydrophobicContact CD1-CD1 3.92Å; L440-I579 HydrophobicContact CD2-CD1 3.7Å; L440-I579 HydrophobicContact CG-CD1 3.9Å; I579-T581 HydrophobicContact CG2-CG2 3.61Å
580	V	62.7	Low	58.7	Low	71 Å²	71	52.7 Å²	52.7	43%	0.43	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	108.1	168.6	-174.9	0	0	0	0	107.3	T435 Y436 V437	T435-V580 HydrophobicContact CG2-CG1 4.01Å; Y436-V580 CarbonylContact O-C 3.33Å; Y436-V580 WeakPolarHBondContact O-CA 3.24Å; V437-V580 HydrophobicContact CG2-CG2 4.33Å
581	T	55.3	Low	57.9	Low	32 Å²	32	52.7 Å²	52.7	20%	0.196	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	143.1	174.3	54.9	0	0	0	0	110	T435 Y436 I579 H583	T435-T581 CarbonylContact C-O 3.55Å; T435-T581 WeakPolarHBondContact CA-O 3.4Å; Y436-T581 PolarHBondContact N-O 2.86Å; Y436-T581 PolarHBondContact O-N 3.03Å; Y436-T581 VanDerWaalsContact O-O 3.11Å; I579-T581 HydrophobicContact CG2-CG2 3.61Å; T581-H583 VanDerWaalsContact CB-CD2 3.49Å; T581-H583 WeakPolarHBondContact CB-CD2 3.34Å; T581-H583 VanDerWaalsContact CB-NE2 3.3Å; T581-H583 WeakPolarHBondContact CB-NE2 3.21Å; T581-H583 PolarHBondContact OG1-CD2 3.2Å; T581-H583 PolarHBondContact OG1-NE2 2.84Å
582	N	59.9	Low	56.9	Low	76 Å²	76	52.5 Å²	52.5	41%	0.406	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	111.9	171.1	-67.6	-36.3	0	0	0	107.9	H434 T435	H434-N582 CarbonylContact O-C 3.55Å; H434-N582 WeakPolarHBondContact O-CA 3.44Å; T435-N582 WeakPolarHBondContact CG2-OD1 3.36Å
583	H	55.9	Low	55.6	Low	103 Å²	103	48.3 Å²	48.3	48%	0.477	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	156.2	173.1	-62.4	-76.9	0	0	0	110.4	H434 Y436 T581	H434-H583 PolarHBondContact N-O 2.91Å; H434-H583 PolarHBondContact O-N 3.35Å; H434-H583 VanDerWaalsContact O-O 3.08Å; Y436-H583 HydrophobicContact CD2-CB 3.63Å; Y436-H583 HydrophobicContact CE2-CB 3.53Å; Y436-H583 WeakPolarHBondContact CE2-O 3.33Å; T581-H583 VanDerWaalsContact CB-CD2 3.49Å; T581-H583 WeakPolarHBondContact CB-CD2 3.34Å; T581-H583 VanDerWaalsContact CB-NE2 3.3Å; T581-H583 WeakPolarHBondContact CB-NE2 3.21Å; T581-H583 PolarHBondContact OG1-CD2 3.2Å; T581-H583 PolarHBondContact OG1-NE2 2.84Å
584	E	57.3	Low	54.3	Low	39 Å²	39	44.8 Å²	44.8	18%	0.182	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	148.8	166.1	-62.9	-179.5	-166.5	0	0	109.9	I431 L433 Y436 P586 S589 S593	I431-E584 WeakPolarHBondContact CD1-OE1 3.34Å; L433-E584 HydrophobicContact CD2-CG 3.79Å; Y436-E584 PolarHBondContact OH-O 3.43Å; E584-P586 WeakPolarHBondContact O-CD 3.16Å; E584-S589 WeakPolarHBondContact OE2-CB 3.42Å; E584-S589 PolarHBondContact OE2-OG 2.95Å; E584-S593 PolarHBondContact OE2-OG 3.24Å
585	D	57.1	Low	52.7	Low	13 Å²	13	52.4 Å²	52.4	7%	0.07	28%	0.275	C	S	.	.			trans	-68.5	117.2	173.1	-157.6	-21	0	0	0	108.3	F353 Y436 H552 I587 I588 S589	F353-D585 HydrophobicContact CE2-CB 4.32Å; F353-D585 WeakPolarHBondContact CE2-OD2 3.3Å; F353-D585 WeakPolarHBondContact CZ-OD2 3.38Å; Y436-D585 WeakPolarHBondContact OH-CA 3.13Å; H552-D585 VanDerWaalsContact CD2-CG 3.49Å; H552-D585 IonicContact CD2-OD1 3.08Å; H552-D585 IonicContact CD2-OD2 2.84Å; H552-D585 PolarHBondContact CD2-OD2 3.46Å; H552-D585 IonicContact CE1-OD1 2.69Å; H552-D585 IonicContact CE1-OD2 3.69Å; H552-D585 WeakPolarHBondContact NE2-CA 3.25Å; H552-D585 WeakPolarHBondContact NE2-CB 3.49Å; H552-D585 IonicContact NE2-OD1 3.91Å; H552-D585 PolarHBondContact NE2-OD1 3.46Å; H552-D585 IonicContact NE2-OD2 3.64Å; H552-D585 PolarHBondContact NE2-OD2 3.06Å; H552-D585 VanDerWaalsContact NE2-OD2 3.1Å; D585-I587 PolarHBondContact O-N 2.86Å; D585-I588 HydrophobicContact CB-CB 4.08Å; D585-I588 HydrophobicContact CB-CD1 4.44Å; D585-I588 HydrophobicContact CB-CG1 4.07Å; D585-I588 PolarHBondContact O-N 3.01Å; D585-S589 WeakPolarHBondContact O-CB 3.36Å; D585-S589 PolarHBondContact O-N 3.18Å
586	P	53	Low	51.3	Low	82 Å²	82	55 Å²	55	53%	0.532	29%	0.294	S	S	.	.	H	α-helix	trans	-60.2	-19	-172.5	23.9	-34.5	0	0	0	112.5	Y436 E584 I590	Y436-P586 WeakPolarHBondContact OH-CD 3.42Å; E584-P586 WeakPolarHBondContact O-CD 3.16Å; P586-I590 VanDerWaalsContact O-CD1 3.24Å; P586-I590 WeakPolarHBondContact O-CD1 3.47Å; P586-I590 VanDerWaalsContact O-CG1 3.28Å; P586-I590 WeakPolarHBondContact O-CG1 3.35Å
587	I	52	Low	51.1	Low	58 Å²	58	53.1 Å²	53.1	30%	0.297	28%	0.277	S	S	.	.	H	α-helix	trans	-84.8	-35.1	179.2	-56.9	-178.7	0	0	0	111.6	A281 D585	A281-I587 HydrophobicContact CB-CD1 3.57Å; A281-I587 HydrophobicContact CB-CG2 3.69Å; D585-I587 PolarHBondContact O-N 2.86Å
588	I	54.9	Low	50.7	Low	10 Å²	10	55.5 Å²	55.5	5%	0.051	29%	0.289	C	S	.	.	H	α-helix	trans	-92.3	-29.9	-179.8	-50.9	-169.4	0	0	0	111.2	I351 F353 D585 I590 F591 Q592	I351-I588 WeakPolarHBondContact O-CG2 3.39Å; F353-I588 HydrophobicContact CD2-CD1 3.57Å; F353-I588 HydrophobicContact CE2-CD1 3.21Å; F353-I588 HydrophobicContact CE2-CG1 4.39Å; F353-I588 HydrophobicContact CZ-CD1 4.15Å; D585-I588 HydrophobicContact CB-CB 4.08Å; D585-I588 HydrophobicContact CB-CD1 4.44Å; D585-I588 HydrophobicContact CB-CG1 4.07Å; D585-I588 PolarHBondContact O-N 3.01Å; I588-I590 PolarHBondContact O-N 2.98Å; I588-F591 WeakPolarHBondContact O-CA 3.24Å; I588-F591 WeakPolarHBondContact O-CB 3.43Å; I588-F591 PolarHBondContact O-N 3.42Å; I588-Q592 HydrophobicContact CG2-CG 4.27Å; I588-Q592 PolarHBondContact O-N 2.67Å
589	S	49.7	Very low	50.1	Low	14 Å²	14	58.3 Å²	58.3	10%	0.098	30%	0.304	C	S	.	.	H	α-helix	trans	-52.3	-39	170.6	-176.2	0	0	0	0	110.3	E584 D585 F591 Q592 S593	E584-S589 WeakPolarHBondContact OE2-CB 3.42Å; E584-S589 PolarHBondContact OE2-OG 2.95Å; D585-S589 WeakPolarHBondContact O-CB 3.36Å; D585-S589 PolarHBondContact O-N 3.18Å; S589-F591 PolarHBondContact O-N 2.81Å; S589-Q592 CarbonylContact O-C 3.56Å; S589-Q592 PolarHBondContact O-N 3.31Å; S589-S593 CarbonylContact O-C 3.58Å; S589-S593 WeakPolarHBondContact O-CA 3.4Å; S589-S593 PolarHBondContact O-N 3.02Å; S589-S593 PolarHBondContact O-OG 2.88Å; S589-S593 PolarHBondContact OG-OG 3.46Å
590	I	49.8	Very low	49.5	Very low	41 Å²	41	57.4 Å²	57.4	21%	0.21	30%	0.299	C	S	.	.	H	α-helix	trans	-53.8	-35.1	174.2	-66.7	163.3	0	0	0	112.6	I270 A274 P586 I588	I270-I590 HydrophobicContact CD1-CG2 4.25Å; I270-I590 WeakPolarHBondContact CD1-O 3.33Å; I270-I590 HydrophobicContact CG1-CG2 4.41Å; I270-I590 HydrophobicContact CG2-CG2 3.59Å; A274-I590 HydrophobicContact CB-CD1 4.01Å; A274-I590 HydrophobicContact CB-CG2 3.87Å; P586-I590 VanDerWaalsContact O-CD1 3.24Å; P586-I590 WeakPolarHBondContact O-CD1 3.47Å; P586-I590 VanDerWaalsContact O-CG1 3.28Å; P586-I590 WeakPolarHBondContact O-CG1 3.35Å; I588-I590 PolarHBondContact O-N 2.98Å
591	F	50.6	Low	48.6	Very low	5 Å²	5	56.5 Å²	56.5	2%	0.022	29%	0.291	C	S	.	.	H	α-helix	trans	-84.4	-21.8	176.9	-65.6	-69	0	0	0	114.2	H263 I270 L275 S278 V344 R428 I588 S589	H263-F591 AromaticContact CE1-CD1 3.93Å; H263-F591 AromaticContact CE1-CE1 3.59Å; H263-F591 AromaticContact ND1-CD1 3.84Å; H263-F591 AromaticContact ND1-CE1 3.89Å; I270-F591 HydrophobicContact CD1-CD1 3.93Å; L275-F591 HydrophobicContact CD1-CE1 3.85Å; L275-F591 HydrophobicContact CD1-CZ 3.67Å; S278-F591 VanDerWaalsContact CB-CE2 3.42Å; S278-F591 WeakPolarHBondContact OG-CE2 3.25Å; S278-F591 WeakPolarHBondContact OG-CZ 3.21Å; V344-F591 HydrophobicContact CG1-CE1 4.13Å; V344-F591 HydrophobicContact CG1-CZ 3.83Å; R428-F591 WeakPolarHBondContact CD-O 3.11Å; R428-F591 PolarHBondContact NH1-O 3.11Å; I588-F591 WeakPolarHBondContact O-CA 3.24Å; I588-F591 WeakPolarHBondContact O-CB 3.43Å; I588-F591 PolarHBondContact O-N 3.42Å; S589-F591 PolarHBondContact O-N 2.81Å
592	Q	47.8	Very low	48.2	Very low	7 Å²	7	58.1 Å²	58.1	3%	0.033	30%	0.297	C	S	.	.	H	α-helix	trans	-104.1	-35.2	-173.1	-59.2	-178.5	-5.3	0	0	112.6	I431 Q432 I588 S589	I431-Q592 HydrophobicContact CG2-CB 3.71Å; Q432-Q592 VanDerWaalsContact N-OE1 3.16Å; I588-Q592 HydrophobicContact CG2-CG 4.27Å; I588-Q592 PolarHBondContact O-N 2.67Å; S589-Q592 CarbonylContact O-C 3.56Å; S589-Q592 PolarHBondContact O-N 3.31Å
593	S	38.1	Very low	47.4	Very low	16 Å²	16	56.9 Å²	56.9	11%	0.112	29%	0.289	C	S	.	.	S	Bend	trans	-137.1	96.9	170.1	51.6	0	0	0	0	109.6	E584 S589 M595	E584-S593 PolarHBondContact OE2-OG 3.24Å; S589-S593 CarbonylContact O-C 3.58Å; S589-S593 WeakPolarHBondContact O-CA 3.4Å; S589-S593 PolarHBondContact O-N 3.02Å; S589-S593 PolarHBondContact O-OG 2.88Å; S589-S593 PolarHBondContact OG-OG 3.46Å; S593-M595 PolarHBondContact O-N 3.36Å; S593-M595 VanDerWaalsContact O-N 3.1Å
594	P	38.4	Very low	46.7	Very low	9 Å²	9	53.3 Å²	53.3	6%	0.058	28%	0.275	C	S	.	.			trans	-59.6	121.8	168.2	27.5	-33.5	0	0	0	108	V265 N268	V265-P594 HydrophobicContact CB-CG 3.99Å; V265-P594 HydrophobicContact CG1-CG 4.26Å; N268-P594 HydrophobicContact CB-CB 3.98Å; N268-P594 HydrophobicContact CB-CG 3.82Å
595	M	28.8	Very low	45.8	Very low	162 Å²	162	54.5 Å²	54.5	80%	0.798	28%	0.282	S	S	*	.			trans	-51.3	140	173.6	-63.3	-72.9	-104.9	0	0	109.4	S593	S593-M595 PolarHBondContact O-N 3.36Å; S593-M595 VanDerWaalsContact O-N 3.1Å
596	E	29.7	Very low	44.8	Very low	237 Å²	237	58.3 Å²	58.3	100%	1.107	30%	0.302	S	S	*	.			trans	-48.7	0	-177.7	-73	-176.8	143.7	0	0	114.7

Retrieved 596 of 596 residues in 376.7 ms (Link to these results)

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