A0A3Q0KK68_SCHMA Loading...

Family S9 non-peptidase homologue (S09 family)

AlphaFold DB , UniProt , Accession A0A3Q0KK68, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 335 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	32.3	Very low	42.4	Very low	231 Å²	231	148.1 Å²	148.1	100%	1.138	76%	0.761	S	S	*	*				0	105.8	0	-75.6	173.4	177.6	0	0	107.6
2	N	33	Very low	42.2	Very low	169 Å²	169	142.8 Å²	142.8	90%	0.904	74%	0.735	S	S	*	*			trans	-161.3	118.5	160.5	-94.4	-24.1	0	0	0	106.6
3	Y	37.1	Very low	41.9	Very low	220 Å²	220	139 Å²	139	86%	0.863	73%	0.726	S	S	*	*			trans	-62.6	129.1	-173.8	-71.9	-97.5	0	0	0	110.2	L5	Y3-L5 PolarHBondContact O-N 3.25Å; Y3-L5 VanDerWaalsContact O-N 3.14Å
4	A	37.1	Very low	42.1	Very low	96 Å²	96	137.1 Å²	137.1	79%	0.793	72%	0.717	S	S	*	*			trans	-59.9	115.7	160.7	0	0	0	0	0	107.3	N6	A4-N6 PolarHBondContact O-N 3.25Å
5	L	40.9	Very low	42.8	Very low	147 Å²	147	135.1 Å²	135.1	77%	0.77	71%	0.707	S	S	*	*			trans	-59.4	105.8	176.5	-90.7	149.4	0	0	0	108.9	Y3 C7	Y3-L5 PolarHBondContact O-N 3.25Å; Y3-L5 VanDerWaalsContact O-N 3.14Å; L5-C7 PolarHBondContact O-N 2.7Å
6	N	44.8	Very low	42.9	Very low	121 Å²	121	128 Å²	128	65%	0.647	67%	0.672	S	S	*	*			trans	-81	100	-179.7	-152.7	-6.9	0	0	0	108.3	A4 H8	A4-N6 PolarHBondContact O-N 3.25Å; N6-H8 PolarHBondContact O-N 3.13Å
7	C	50	Low	43.2	Very low	38 Å²	38	123.6 Å²	123.6	26%	0.257	65%	0.654	S	S	.	*	G	3₁₀ helix	trans	-65.8	9.7	-178.6	-60	0	0	0	0	114.1	L5 N9 H10 C16	L5-C7 PolarHBondContact O-N 2.7Å; C7-N9 PolarHBondContact O-N 3.21Å; C7-H10 PolarHBondContact O-N 3.12Å; C7-C16 HydrophobicContact CB-CB 3.93Å; C7-C16 WeakPolarHBondContact CB-SG 3.11Å; C7-C16 WeakPolarHBondContact SG-CB 3.29Å; C7-C16 CovalentContact SG-SG 2.04Å; C7-C16 PolarHBondContact SG-SG 3.32Å
8	H	48.6	Very low	43.5	Very low	161 Å²	161	122.4 Å²	122.4	75%	0.745	65%	0.648	S	S	*	*	G	3₁₀ helix	trans	-63.7	-19.5	-176.9	-83.3	11.8	0	0	0	114.5	N6	N6-H8 PolarHBondContact O-N 3.13Å
9	N	49.5	Very low	43.7	Very low	150 Å²	150	123.6 Å²	123.6	80%	0.802	65%	0.65	S	S	*	*	G	3₁₀ helix	trans	-108.4	4	-176.7	-65.7	-10	0	0	0	114.4	C7 I11	C7-N9 PolarHBondContact O-N 3.21Å; N9-I11 PolarHBondContact O-N 2.79Å
10	H	46.6	Very low	43.8	Very low	121 Å²	121	123.3 Å²	123.3	56%	0.56	64%	0.643	S	S	*	*			trans	-85.5	118.8	-179.7	-83.6	-81.9	0	0	0	111.8	C7 N12	C7-H10 PolarHBondContact O-N 3.12Å; H10-N12 PolarHBondContact O-N 3.49Å
11	I	46.3	Very low	43.7	Very low	175 Å²	175	123.4 Å²	123.4	90%	0.897	64%	0.644	S	S	*	*	S	Bend	trans	-60.9	-13.2	-179.1	-64.6	169	0	0	0	112.9	N9	N9-I11 PolarHBondContact O-N 2.79Å
12	N	40.2	Very low	44.4	Very low	84 Å²	84	119.2 Å²	119.2	45%	0.449	63%	0.626	S	S	.	*			trans	-135.2	100.4	177	-161	-13.6	0	0	0	111.1	H10 N14 N15	H10-N12 PolarHBondContact O-N 3.49Å; N12-N14 PolarHBondContact O-N 3.43Å; N12-N14 VanDerWaalsContact O-N 3.13Å; N12-N15 PolarHBondContact O-N 2.87Å; N12-N15 VanDerWaalsContact O-N 3.15Å
13	P	38.7	Very low	44.8	Very low	94 Å²	94	114.9 Å²	114.9	61%	0.61	60%	0.603	S	S	*	*	H	α-helix	trans	-61.9	-21.3	-176.3	21	-30	0	0	0	113.5	N15 C16 S17	P13-N15 VanDerWaalsContact C-N 3.33Å; P13-N15 PolarHBondContact O-N 2.68Å; P13-C16 PolarHBondContact O-N 2.86Å; P13-S17 PolarHBondContact O-OG 2.93Å
14	N	45	Very low	44.9	Very low	112 Å²	112	112 Å²	112	60%	0.599	60%	0.595	S	S	*	*	H	α-helix	trans	-72.9	-20.5	178.2	-71	-17	0	0	0	114.1	N12 S17 N18	N12-N14 PolarHBondContact O-N 3.43Å; N12-N14 VanDerWaalsContact O-N 3.13Å; N14-S17 PolarHBondContact O-OG 3.24Å; N14-N18 PolarHBondContact O-ND2 2.72Å
15	N	51.7	Low	45	Very low	107 Å²	107	114.8 Å²	114.8	57%	0.572	59%	0.589	S	S	*	*	H	α-helix	trans	-81.3	-29.8	174.9	-89.1	1.8	0	0	0	112.5	N12 P13	N12-N15 PolarHBondContact O-N 2.87Å; N12-N15 VanDerWaalsContact O-N 3.15Å; P13-N15 VanDerWaalsContact C-N 3.33Å; P13-N15 PolarHBondContact O-N 2.68Å
16	C	45.4	Very low	44.9	Very low	22 Å²	22	111.3 Å²	111.3	15%	0.149	57%	0.572	C	S	.	*	H	α-helix	trans	-72.1	-29.8	179.2	-134.5	0	0	0	0	112.4	C7 P13 K20	C7-C16 HydrophobicContact CB-CB 3.93Å; C7-C16 WeakPolarHBondContact CB-SG 3.11Å; C7-C16 WeakPolarHBondContact SG-CB 3.29Å; C7-C16 CovalentContact SG-SG 2.04Å; C7-C16 PolarHBondContact SG-SG 3.32Å; P13-C16 PolarHBondContact O-N 2.86Å; C16-K20 PolarHBondContact O-N 3.04Å
17	S	47.6	Very low	44.6	Very low	53 Å²	53	109.6 Å²	109.6	37%	0.371	56%	0.562	S	S	.	*	H	α-helix	trans	-73.8	-35.5	178.4	12.1	0	0	0	0	112.9	P13 N14 K20	P13-S17 PolarHBondContact O-OG 2.93Å; N14-S17 PolarHBondContact O-OG 3.24Å; S17-K20 PolarHBondContact O-N 2.95Å
18	N	48.3	Very low	43.9	Very low	102 Å²	102	112.1 Å²	112.1	55%	0.545	57%	0.572	S	S	.	*	H	α-helix	trans	-71	-30.2	179.6	-75.4	-18.2	0	0	0	112.8	N14 N22	N14-N18 PolarHBondContact O-ND2 2.72Å; N18-N22 PolarHBondContact O-ND2 3.49Å
19	E	47.5	Very low	43.3	Very low	145 Å²	145	110.2 Å²	110.2	68%	0.678	57%	0.567	S	S	*	*	H	α-helix	trans	-78.1	-27.1	174.5	-69.5	-172	169.8	0	0	113.2	L21	E19-L21 VanDerWaalsContact C-N 3.28Å; E19-L21 PolarHBondContact O-N 2.75Å
20	K	44.6	Very low	42.9	Very low	118 Å²	118	108.5 Å²	108.5	51%	0.513	56%	0.557	S	S	.	*	H	α-helix	trans	-63.9	-30	177.6	-86.1	-177.3	175.8	-175.9	0	113.6	C16 S17	C16-K20 PolarHBondContact O-N 3.04Å; S17-K20 PolarHBondContact O-N 2.95Å
21	L	43.5	Very low	42.6	Very low	126 Å²	126	110.1 Å²	110.1	66%	0.66	56%	0.558	S	S	*	*	H	α-helix	trans	-96.6	-11.8	-175.2	-66.8	171.4	0	0	0	114.1	E19	E19-L21 VanDerWaalsContact C-N 3.28Å; E19-L21 PolarHBondContact O-N 2.75Å
22	N	46.3	Very low	42.2	Very low	142 Å²	142	105 Å²	105	76%	0.759	53%	0.532	S	S	*	.	S	Bend	trans	-91.9	-3	-174	-78	-15.9	0	0	0	114.8	N18	N18-N22 PolarHBondContact O-ND2 3.49Å
23	N	40.4	Very low	42.3	Very low	79 Å²	79	106.4 Å²	106.4	42%	0.422	53%	0.532	S	S	.	.			trans	-123.3	108.3	-179	-157.7	-20.8	0	0	0	110.6	K25 N26 I27	N23-K25 PolarHBondContact O-N 3.4Å; N23-K25 VanDerWaalsContact O-N 3.07Å; N23-K25 PolarHBondContact OD1-N 3.49Å; N23-N26 HydrophobicContact CB-CB 4.27Å; N23-N26 WeakPolarHBondContact O-CA 3.36Å; N23-N26 PolarHBondContact O-N 2.84Å; N23-I27 PolarHBondContact O-N 3.14Å; N23-I27 VanDerWaalsContact O-N 3.14Å
24	F	40.7	Very low	42.6	Very low	158 Å²	158	106 Å²	106	69%	0.693	53%	0.527	S	S	*	.	H	α-helix	trans	-50.2	-33.2	176.7	175.8	-102.4	0	0	0	112.6	N26 I27 L28	F24-N26 VanDerWaalsContact C-N 3.35Å; F24-N26 PolarHBondContact O-N 3.49Å; F24-I27 PolarHBondContact O-N 2.81Å; F24-L28 HydrophobicContact CD1-CD1 3.76Å; F24-L28 HydrophobicContact CE1-CD1 3.26Å; F24-L28 HydrophobicContact CE1-CG 4.44Å; F24-L28 HydrophobicContact CE2-CD1 4.18Å; F24-L28 HydrophobicContact CG-CD1 4.41Å; F24-L28 HydrophobicContact CZ-CD1 3.51Å; F24-L28 HydrophobicContact CZ-CG 4.36Å; F24-L28 PolarHBondContact O-N 3.26Å; F24-L28 VanDerWaalsContact O-N 3.09Å
25	K	39	Very low	42.5	Very low	156 Å²	156	105.8 Å²	105.8	68%	0.678	53%	0.525	S	S	*	.	H	α-helix	trans	-66.8	-29.6	173.9	-86.7	179.1	173.1	175.7	0	114.1	N23 N29	N23-K25 PolarHBondContact O-N 3.4Å; N23-K25 VanDerWaalsContact O-N 3.07Å; N23-K25 PolarHBondContact OD1-N 3.49Å; K25-N29 PolarHBondContact O-N 2.69Å; K25-N29 PolarHBondContact O-ND2 3.34Å
26	N	38	Very low	42	Very low	74 Å²	74	102.8 Å²	102.8	40%	0.396	51%	0.509	S	S	.	.	H	α-helix	trans	-84.3	-31.7	176.9	-73.6	-15.8	0	0	0	112.1	N23 F24 L28 N29 I30	N23-N26 HydrophobicContact CB-CB 4.27Å; N23-N26 WeakPolarHBondContact O-CA 3.36Å; N23-N26 PolarHBondContact O-N 2.84Å; F24-N26 VanDerWaalsContact C-N 3.35Å; F24-N26 PolarHBondContact O-N 3.49Å; N26-L28 VanDerWaalsContact C-N 3.32Å; N26-N29 PolarHBondContact O-N 2.64Å; N26-I30 PolarHBondContact O-N 2.95Å
27	I	38.9	Very low	41.9	Very low	85 Å²	85	105 Å²	105	44%	0.436	52%	0.517	S	S	.	.	H	α-helix	trans	-64	-40.2	171.4	-62.1	178.2	0	0	0	110.4	N23 F24 N29 I30	N23-I27 PolarHBondContact O-N 3.14Å; N23-I27 VanDerWaalsContact O-N 3.14Å; F24-I27 PolarHBondContact O-N 2.81Å; I27-N29 VanDerWaalsContact C-N 3.32Å; I27-N29 PolarHBondContact O-N 3.41Å; I27-I30 PolarHBondContact O-N 3.36Å
28	L	35.6	Very low	41.8	Very low	91 Å²	91	109.2 Å²	109.2	48%	0.476	53%	0.528	S	S	.	.	H	α-helix	trans	-68.5	-24.2	173.8	-84.8	163.8	0	0	0	114.4	F24 N26 W31 N32	F24-L28 HydrophobicContact CD1-CD1 3.76Å; F24-L28 HydrophobicContact CE1-CD1 3.26Å; F24-L28 HydrophobicContact CE1-CG 4.44Å; F24-L28 HydrophobicContact CE2-CD1 4.18Å; F24-L28 HydrophobicContact CG-CD1 4.41Å; F24-L28 HydrophobicContact CZ-CD1 3.51Å; F24-L28 HydrophobicContact CZ-CG 4.36Å; F24-L28 PolarHBondContact O-N 3.26Å; F24-L28 VanDerWaalsContact O-N 3.09Å; N26-L28 VanDerWaalsContact C-N 3.32Å; L28-W31 CarbonylContact O-C 3.52Å; L28-W31 PolarHBondContact O-N 3.44Å; L28-W31 VanDerWaalsContact O-O 3.08Å; L28-N32 PolarHBondContact O-N 3.06Å
29	N	36.1	Very low	41.6	Very low	121 Å²	121	110 Å²	110	65%	0.647	52%	0.524	S	S	*	.	H	α-helix	trans	-82.9	-16.9	178.1	-84.8	-21.8	0	0	0	113.8	K25 N26 I27	K25-N29 PolarHBondContact O-N 2.69Å; K25-N29 PolarHBondContact O-ND2 3.34Å; N26-N29 PolarHBondContact O-N 2.64Å; I27-N29 VanDerWaalsContact C-N 3.32Å; I27-N29 PolarHBondContact O-N 3.41Å
30	I	40.5	Very low	41.4	Very low	113 Å²	113	104.3 Å²	104.3	58%	0.579	50%	0.498	S	S	*	.	H	α-helix	trans	-74.6	-20.1	171.9	-62.7	172.1	0	0	0	110.3	N26 I27	N26-I30 PolarHBondContact O-N 2.95Å; I27-I30 PolarHBondContact O-N 3.36Å
31	W	39.4	Very low	41.5	Very low	155 Å²	155	102.1 Å²	102.1	59%	0.587	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-137.1	74.2	176.6	-69.6	70.3	0	0	0	109.4	L28 W33 I36	L28-W31 CarbonylContact O-C 3.52Å; L28-W31 PolarHBondContact O-N 3.44Å; L28-W31 VanDerWaalsContact O-O 3.08Å; W31-W33 PolarHBondContact O-N 2.67Å; W31-I36 HydrophobicContact CB-CD1 4.26Å; W31-I36 HydrophobicContact CD2-CD1 4.19Å; W31-I36 HydrophobicContact CE3-CD1 3.95Å; W31-I36 HydrophobicContact CG-CD1 4.36Å
32	N	38.2	Very low	41.6	Very low	67 Å²	67	102.3 Å²	102.3	36%	0.358	49%	0.488	S	S	.	.			trans	-68.1	85.6	164.1	-171.3	-8.5	0	0	0	107.8	L28 T34 I35 I36	L28-N32 PolarHBondContact O-N 3.06Å; N32-T34 PolarHBondContact O-N 3.19Å; N32-T34 VanDerWaalsContact O-N 3.11Å; N32-T34 PolarHBondContact OD1-N 3.08Å; N32-T34 PolarHBondContact OD1-OG1 3.48Å; N32-I35 HydrophobicContact CB-CB 4.38Å; N32-I35 HydrophobicContact CB-CD1 4.15Å; N32-I35 HydrophobicContact CB-CG1 4.3Å; N32-I35 VanDerWaalsContact ND2-CD1 3.25Å; N32-I35 WeakPolarHBondContact ND2-CD1 3.34Å; N32-I35 PolarHBondContact O-N 3.44Å; N32-I36 PolarHBondContact O-N 3.04Å
33	W	43.3	Very low	41.4	Very low	115 Å²	115	97.6 Å²	97.6	44%	0.436	47%	0.467	S	S	.	.	H	α-helix	trans	-52.9	-35.5	-174.9	-118.1	131.4	0	0	0	110.5	W31 I35 I36 E37 L40 Y216	W31-W33 PolarHBondContact O-N 2.67Å; W33-I35 VanDerWaalsContact C-N 3.31Å; W33-I35 PolarHBondContact O-N 3.4Å; W33-I36 HydrophobicContact CE3-CB 4.24Å; W33-I36 HydrophobicContact CE3-CG2 4.17Å; W33-I36 HydrophobicContact CZ3-CG2 4.1Å; W33-I36 CarbonylContact O-C 3.41Å; W33-I36 PolarHBondContact O-N 3.27Å; W33-E37 HydrophobicContact CE3-CB 3.89Å; W33-E37 HydrophobicContact CZ3-CB 4.15Å; W33-E37 WeakPolarHBondContact O-CA 3.31Å; W33-E37 WeakPolarHBondContact O-CB 3.44Å; W33-E37 PolarHBondContact O-N 3.21Å; W33-L40 HydrophobicContact CH2-CD1 3.72Å; W33-L40 HydrophobicContact CZ3-CD1 3.5Å; W33-L40 VanDerWaalsContact CZ3-CD1 3.5Å; W33-Y216 HydrophobicContact CH2-CD1 4.38Å
34	T	44.4	Very low	41.4	Very low	85 Å²	85	97.2 Å²	97.2	52%	0.521	46%	0.463	S	S	.	.	H	α-helix	trans	-65	-28.6	176.3	55.8	0	0	0	0	115	N32 K38	N32-T34 PolarHBondContact O-N 3.19Å; N32-T34 VanDerWaalsContact O-N 3.11Å; N32-T34 PolarHBondContact OD1-N 3.08Å; N32-T34 PolarHBondContact OD1-OG1 3.48Å; T34-K38 WeakPolarHBondContact O-CB 2.97Å; T34-K38 WeakPolarHBondContact O-CG 3.18Å; T34-K38 PolarHBondContact O-N 3.33Å
35	I	43.1	Very low	41.3	Very low	108 Å²	108	90.7 Å²	90.7	55%	0.554	43%	0.434	S	S	*	.	H	α-helix	trans	-80.1	-45	173.6	-63.7	177.4	0	0	0	109.7	N32 W33 E37 K38 W39	N32-I35 HydrophobicContact CB-CB 4.38Å; N32-I35 HydrophobicContact CB-CD1 4.15Å; N32-I35 HydrophobicContact CB-CG1 4.3Å; N32-I35 VanDerWaalsContact ND2-CD1 3.25Å; N32-I35 WeakPolarHBondContact ND2-CD1 3.34Å; N32-I35 PolarHBondContact O-N 3.44Å; W33-I35 VanDerWaalsContact C-N 3.31Å; W33-I35 PolarHBondContact O-N 3.4Å; I35-E37 VanDerWaalsContact C-N 3.35Å; I35-K38 PolarHBondContact O-N 3.08Å; I35-W39 VanDerWaalsContact O-CB 3.24Å; I35-W39 WeakPolarHBondContact O-CB 3.45Å; I35-W39 PolarHBondContact O-N 3.37Å
36	I	40.8	Very low	41	Very low	44 Å²	44	86.2 Å²	86.2	23%	0.226	42%	0.423	C	S	.	.	H	α-helix	trans	-65.2	-39.1	179.2	-64.7	177.4	0	0	0	110.8	W31 N32 W33 W39 L40	W31-I36 HydrophobicContact CB-CD1 4.26Å; W31-I36 HydrophobicContact CD2-CD1 4.19Å; W31-I36 HydrophobicContact CE3-CD1 3.95Å; W31-I36 HydrophobicContact CG-CD1 4.36Å; N32-I36 PolarHBondContact O-N 3.04Å; W33-I36 HydrophobicContact CE3-CB 4.24Å; W33-I36 HydrophobicContact CE3-CG2 4.17Å; W33-I36 HydrophobicContact CZ3-CG2 4.1Å; W33-I36 CarbonylContact O-C 3.41Å; W33-I36 PolarHBondContact O-N 3.27Å; I36-W39 CarbonylContact O-C 3.58Å; I36-W39 PolarHBondContact O-N 3.19Å; I36-L40 HydrophobicContact CG2-CD1 3.7Å; I36-L40 HydrophobicContact CG2-CG 4.07Å; I36-L40 WeakPolarHBondContact O-CB 3.46Å; I36-L40 WeakPolarHBondContact O-CG 3.46Å; I36-L40 PolarHBondContact O-N 3.48Å
37	E	43.9	Very low	40.9	Very low	68 Å²	68	87.3 Å²	87.3	32%	0.318	43%	0.428	S	S	.	.	H	α-helix	trans	-64.9	-50.4	176.7	-178.2	-177.4	-163.3	0	0	110.4	W33 I35 W39 L40 I41 L218	W33-E37 HydrophobicContact CE3-CB 3.89Å; W33-E37 HydrophobicContact CZ3-CB 4.15Å; W33-E37 WeakPolarHBondContact O-CA 3.31Å; W33-E37 WeakPolarHBondContact O-CB 3.44Å; W33-E37 PolarHBondContact O-N 3.21Å; I35-E37 VanDerWaalsContact C-N 3.35Å; E37-W39 VanDerWaalsContact C-N 3.28Å; E37-W39 PolarHBondContact O-N 2.88Å; E37-L40 PolarHBondContact O-N 2.89Å; E37-I41 HydrophobicContact CG-CD1 3.71Å; E37-I41 HydrophobicContact CG-CG1 4.39Å; E37-I41 VanDerWaalsContact O-CB 3.28Å; E37-I41 WeakPolarHBondContact O-CB 3.35Å; E37-I41 WeakPolarHBondContact O-CG1 2.98Å; E37-I41 PolarHBondContact O-N 3.31Å; E37-L218 HydrophobicContact CG-CD2 4.49Å
38	K	45.6	Very low	40.7	Very low	141 Å²	141	84.6 Å²	84.6	61%	0.613	42%	0.416	S	S	*	.	H	α-helix	trans	-58.7	-42.6	173.1	-80	-176	178.8	-178.8	0	111.4	T34 I35 H42	T34-K38 WeakPolarHBondContact O-CB 2.97Å; T34-K38 WeakPolarHBondContact O-CG 3.18Å; T34-K38 PolarHBondContact O-N 3.33Å; I35-K38 PolarHBondContact O-N 3.08Å; K38-H42 VanDerWaalsContact O-CB 3.26Å; K38-H42 WeakPolarHBondContact O-CB 3.24Å; K38-H42 PolarHBondContact O-CD2 3.33Å; K38-H42 PolarHBondContact O-N 3.47Å
39	W	43.7	Very low	40.8	Very low	120 Å²	120	82.9 Å²	82.9	46%	0.455	41%	0.412	S	S	.	.	H	α-helix	trans	-66	-40.1	176.5	179.4	81.8	0	0	0	111.9	I35 I36 E37 H42 S43 M44	I35-W39 VanDerWaalsContact O-CB 3.24Å; I35-W39 WeakPolarHBondContact O-CB 3.45Å; I35-W39 PolarHBondContact O-N 3.37Å; I36-W39 CarbonylContact O-C 3.58Å; I36-W39 PolarHBondContact O-N 3.19Å; E37-W39 VanDerWaalsContact C-N 3.28Å; E37-W39 PolarHBondContact O-N 2.88Å; W39-H42 PolarHBondContact O-N 3.03Å; W39-S43 VanDerWaalsContact O-CA 3.28Å; W39-S43 WeakPolarHBondContact O-CA 3.24Å; W39-S43 WeakPolarHBondContact O-CB 2.96Å; W39-S43 PolarHBondContact O-N 2.79Å; W39-S43 PolarHBondContact O-OG 2.85Å; W39-M44 HydrophobicContact CE3-CG 4.37Å; W39-M44 HydrophobicContact CE3-SD 4.46Å; W39-M44 HydrophobicContact CH2-CG 3.56Å; W39-M44 HydrophobicContact CH2-SD 3.52Å; W39-M44 VanDerWaalsContact CH2-SD 3.52Å; W39-M44 HydrophobicContact CZ2-CG 4.26Å; W39-M44 HydrophobicContact CZ3-CG 3.63Å; W39-M44 HydrophobicContact CZ3-SD 3.38Å; W39-M44 WeakPolarHBondContact CZ3-SD 3.05Å
40	L	44.6	Very low	40.9	Very low	25 Å²	25	82.8 Å²	82.8	13%	0.131	41%	0.41	C	S	.	.	I	π-helix	trans	-65.2	-50.7	176.7	-82.5	170.3	0	0	0	110.4	W33 I36 E37 H42 M44 F45	W33-L40 HydrophobicContact CH2-CD1 3.72Å; W33-L40 HydrophobicContact CZ3-CD1 3.5Å; W33-L40 VanDerWaalsContact CZ3-CD1 3.5Å; I36-L40 HydrophobicContact CG2-CD1 3.7Å; I36-L40 HydrophobicContact CG2-CG 4.07Å; I36-L40 WeakPolarHBondContact O-CB 3.46Å; I36-L40 WeakPolarHBondContact O-CG 3.46Å; I36-L40 PolarHBondContact O-N 3.48Å; E37-L40 PolarHBondContact O-N 2.89Å; L40-H42 VanDerWaalsContact C-N 3.32Å; L40-H42 PolarHBondContact O-N 3.33Å; L40-M44 HydrophobicContact CD2-CB 3.79Å; L40-M44 HydrophobicContact CD2-CE 4.48Å; L40-M44 HydrophobicContact CD2-CG 3.95Å; L40-M44 HydrophobicContact CD2-SD 3.42Å; L40-M44 WeakPolarHBondContact CD2-SD 3Å; L40-M44 PolarHBondContact O-N 3.42Å; L40-M44 VanDerWaalsContact O-N 3.09Å; L40-F45 VanDerWaalsContact C-CD2 3.41Å; L40-F45 HydrophobicContact CB-CD2 3.99Å; L40-F45 HydrophobicContact CB-CE2 3.7Å; L40-F45 HydrophobicContact CD2-CE2 4.11Å; L40-F45 HydrophobicContact CD2-CZ 4.36Å; L40-F45 HydrophobicContact CG-CE2 4.35Å; L40-F45 WeakPolarHBondContact O-CB 3.16Å; L40-F45 WeakPolarHBondContact O-CD2 3.37Å; L40-F45 PolarHBondContact O-N 3.19Å
41	I	46.7	Very low	40.9	Very low	71 Å²	71	82.7 Å²	82.7	36%	0.364	41%	0.411	S	S	.	.	I	π-helix	trans	-55	-46	176.5	-71.3	170.3	0	0	0	111	E37 L218	E37-I41 HydrophobicContact CG-CD1 3.71Å; E37-I41 HydrophobicContact CG-CG1 4.39Å; E37-I41 VanDerWaalsContact O-CB 3.28Å; E37-I41 WeakPolarHBondContact O-CB 3.35Å; E37-I41 WeakPolarHBondContact O-CG1 2.98Å; E37-I41 PolarHBondContact O-N 3.31Å; I41-L218 HydrophobicContact CD1-CD2 3.72Å; I41-L218 HydrophobicContact CG1-CD2 3.55Å
42	H	44.7	Very low	40.9	Very low	130 Å²	130	80.6 Å²	80.6	60%	0.602	41%	0.407	S	S	*	.	I	π-helix	trans	-90.6	-22	-173.9	-67	-53.4	0	0	0	114.7	K38 W39 L40 S46	K38-H42 VanDerWaalsContact O-CB 3.26Å; K38-H42 WeakPolarHBondContact O-CB 3.24Å; K38-H42 PolarHBondContact O-CD2 3.33Å; K38-H42 PolarHBondContact O-N 3.47Å; W39-H42 PolarHBondContact O-N 3.03Å; L40-H42 VanDerWaalsContact C-N 3.32Å; L40-H42 PolarHBondContact O-N 3.33Å; H42-S46 PolarHBondContact O-OG 3.4Å
43	S	42.1	Very low	40.9	Very low	44 Å²	44	80.2 Å²	80.2	31%	0.308	41%	0.405	S	S	.	.	I	π-helix	trans	-128.2	-32.7	-164.4	-17.6	0	0	0	0	114.6	W39	W39-S43 VanDerWaalsContact O-CA 3.28Å; W39-S43 WeakPolarHBondContact O-CA 3.24Å; W39-S43 WeakPolarHBondContact O-CB 2.96Å; W39-S43 PolarHBondContact O-N 2.79Å; W39-S43 PolarHBondContact O-OG 2.85Å
44	M	40.9	Very low	40.9	Very low	71 Å²	71	80.1 Å²	80.1	35%	0.35	41%	0.413	S	S	.	.	I	π-helix	trans	-95.5	-29.6	175	-79.7	-165.4	67	0	0	112.7	W39 L40 Y108	W39-M44 HydrophobicContact CE3-CG 4.37Å; W39-M44 HydrophobicContact CE3-SD 4.46Å; W39-M44 HydrophobicContact CH2-CG 3.56Å; W39-M44 HydrophobicContact CH2-SD 3.52Å; W39-M44 VanDerWaalsContact CH2-SD 3.52Å; W39-M44 HydrophobicContact CZ2-CG 4.26Å; W39-M44 HydrophobicContact CZ3-CG 3.63Å; W39-M44 HydrophobicContact CZ3-SD 3.38Å; W39-M44 WeakPolarHBondContact CZ3-SD 3.05Å; L40-M44 HydrophobicContact CD2-CB 3.79Å; L40-M44 HydrophobicContact CD2-CE 4.48Å; L40-M44 HydrophobicContact CD2-CG 3.95Å; L40-M44 HydrophobicContact CD2-SD 3.42Å; L40-M44 WeakPolarHBondContact CD2-SD 3Å; L40-M44 PolarHBondContact O-N 3.42Å; L40-M44 VanDerWaalsContact O-N 3.09Å; M44-Y108 WeakPolarHBondContact CE-OH 3.31Å; M44-Y108 WeakPolarHBondContact O-CD1 3.46Å; M44-Y108 VanDerWaalsContact O-CE1 3.32Å; M44-Y108 WeakPolarHBondContact O-CE1 3.5Å
45	F	37.1	Very low	40.9	Very low	20 Å²	20	82.2 Å²	82.2	9%	0.088	42%	0.421	C	S	.	.	S	Bend	trans	-95.9	-7.6	-174.7	-67.3	-50.6	0	0	0	114.7	L40 I107 Y108 P109 L218	L40-F45 VanDerWaalsContact C-CD2 3.41Å; L40-F45 HydrophobicContact CB-CD2 3.99Å; L40-F45 HydrophobicContact CB-CE2 3.7Å; L40-F45 HydrophobicContact CD2-CE2 4.11Å; L40-F45 HydrophobicContact CD2-CZ 4.36Å; L40-F45 HydrophobicContact CG-CE2 4.35Å; L40-F45 WeakPolarHBondContact O-CB 3.16Å; L40-F45 WeakPolarHBondContact O-CD2 3.37Å; L40-F45 PolarHBondContact O-N 3.19Å; F45-I107 HydrophobicContact CE1-CB 4.42Å; F45-I107 HydrophobicContact CE1-CD1 3.74Å; F45-I107 HydrophobicContact CE1-CG1 3.83Å; F45-I107 HydrophobicContact CZ-CD1 3.78Å; F45-I107 HydrophobicContact CZ-CG1 4.29Å; F45-Y108 AromaticContact CD1-CD1 3.6Å; F45-Y108 HydrophobicContact CD1-CD1 3.6Å; F45-Y108 HydrophobicContact CD1-CE1 4.07Å; F45-Y108 AromaticContact CD1-CG 3.96Å; F45-Y108 HydrophobicContact CD1-CG 3.96Å; F45-Y108 AromaticContact CE1-CD1 3.95Å; F45-Y108 HydrophobicContact CE1-CD1 3.95Å; F45-Y108 HydrophobicContact CE1-CD2 4.37Å; F45-Y108 HydrophobicContact CE1-CE1 4.1Å; F45-Y108 HydrophobicContact CE1-CG 4.12Å; F45-P109 HydrophobicContact CB-CG 3.85Å; F45-P109 WeakPolarHBondContact O-CD 3.48Å; F45-P109 WeakPolarHBondContact O-CG 3.35Å; F45-L218 HydrophobicContact CD2-CD1 3.72Å; F45-L218 HydrophobicContact CE2-CD1 3.29Å; F45-L218 HydrophobicContact CZ-CD1 4.04Å
46	S	32.7	Very low	40.9	Very low	63 Å²	63	80.3 Å²	80.3	44%	0.441	41%	0.412	S	S	.	.	S	Bend	trans	-117.5	117	169	63.2	0	0	0	0	110.1	H42	H42-S46 PolarHBondContact O-OG 3.4Å
47	L	36	Very low	40.9	Very low	97 Å²	97	85.3 Å²	85.3	51%	0.508	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-60.8	126.4	164.5	-78.6	157.7	0	0	0	107	S49 F335	L47-S49 PolarHBondContact O-N 2.96Å; L47-F335 VanDerWaalsContact CD1-O 3.28Å; L47-F335 WeakPolarHBondContact CD1-O 3.43Å; L47-F335 WeakPolarHBondContact CD1-OXT 3.38Å
48	P	35.5	Very low	40.8	Very low	28 Å²	28	88.1 Å²	88.1	18%	0.182	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-57	129.9	164.9	26.3	-32.6	0	0	0	106.7	E52 L53 F63	P48-E52 VanDerWaalsContact CA-OE2 3.27Å; P48-E52 WeakPolarHBondContact CA-OE2 3.35Å; P48-E52 HydrophobicContact CB-CB 4.13Å; P48-L53 HydrophobicContact CB-CD2 4.38Å; P48-L53 HydrophobicContact CB-CG 4.18Å; P48-L53 HydrophobicContact CG-CD1 4.3Å; P48-L53 HydrophobicContact CG-CD2 3.93Å; P48-L53 HydrophobicContact CG-CG 4.01Å; P48-F63 HydrophobicContact CB-CE2 4.32Å; P48-F63 HydrophobicContact CB-CZ 4.39Å; P48-F63 HydrophobicContact CG-CE1 4.14Å; P48-F63 HydrophobicContact CG-CE2 3.8Å; P48-F63 HydrophobicContact CG-CZ 3.57Å
49	S	36.9	Very low	40.6	Very low	54 Å²	54	87.3 Å²	87.3	38%	0.378	45%	0.448	S	S	.	.	P	Polyproline II helix	trans	-56.8	149.4	174.5	70.4	0	0	0	0	108.7	L47 N51 E52 L53	L47-S49 PolarHBondContact O-N 2.96Å; S49-N51 PolarHBondContact O-N 3.3Å; S49-E52 PolarHBondContact N-OE2 2.82Å; S49-E52 WeakPolarHBondContact O-CA 3.4Å; S49-E52 WeakPolarHBondContact O-CB 3.48Å; S49-E52 PolarHBondContact O-N 2.93Å; S49-E52 WeakPolarHBondContact OG-CG 3.45Å; S49-E52 PolarHBondContact OG-N 3.21Å; S49-E52 VanDerWaalsContact OG-N 3.13Å; S49-L53 PolarHBondContact O-N 2.68Å
50	I	39	Very low	40.2	Very low	119 Å²	119	84 Å²	84	61%	0.61	44%	0.439	S	S	*	.	H	α-helix	trans	-51.3	-27.6	172.9	-96.8	162.8	0	0	0	111.7	N54	I50-N54 WeakPolarHBondContact O-CB 3.46Å; I50-N54 PolarHBondContact O-N 3.41Å; I50-N54 PolarHBondContact O-ND2 3.35Å
51	N	39.8	Very low	39.7	Very low	111 Å²	111	87.5 Å²	87.5	59%	0.594	46%	0.457	S	S	*	.	H	α-helix	trans	-73.6	-30	175.1	-65	-11.1	0	0	0	113.1	S49 N55	S49-N51 PolarHBondContact O-N 3.3Å; N51-N55 WeakPolarHBondContact O-CB 3.26Å; N51-N55 PolarHBondContact O-N 3.46Å; N51-N55 PolarHBondContact O-ND2 3.19Å
52	E	40.3	Very low	39.1	Very low	112 Å²	112	89 Å²	89	52%	0.523	47%	0.466	S	S	.	.	H	α-helix	trans	-76	-31.8	172.6	-75.6	170.4	148.2	0	0	112.4	P48 S49	P48-E52 VanDerWaalsContact CA-OE2 3.27Å; P48-E52 WeakPolarHBondContact CA-OE2 3.35Å; P48-E52 HydrophobicContact CB-CB 4.13Å; S49-E52 PolarHBondContact N-OE2 2.82Å; S49-E52 WeakPolarHBondContact O-CA 3.4Å; S49-E52 WeakPolarHBondContact O-CB 3.48Å; S49-E52 PolarHBondContact O-N 2.93Å; S49-E52 WeakPolarHBondContact OG-CG 3.45Å; S49-E52 PolarHBondContact OG-N 3.21Å; S49-E52 VanDerWaalsContact OG-N 3.13Å
53	L	38.6	Very low	38.6	Very low	58 Å²	58	87.2 Å²	87.2	30%	0.304	46%	0.457	S	S	.	.	H	α-helix	trans	-68.4	-43	172.7	-71	167	0	0	0	111.4	P48 S49 N55 I60	P48-L53 HydrophobicContact CB-CD2 4.38Å; P48-L53 HydrophobicContact CB-CG 4.18Å; P48-L53 HydrophobicContact CG-CD1 4.3Å; P48-L53 HydrophobicContact CG-CD2 3.93Å; P48-L53 HydrophobicContact CG-CG 4.01Å; S49-L53 PolarHBondContact O-N 2.68Å; L53-N55 VanDerWaalsContact C-N 3.35Å; L53-N55 PolarHBondContact O-N 2.87Å; L53-I60 HydrophobicContact CD2-CG1 4.37Å; L53-I60 WeakPolarHBondContact O-CD1 3.33Å
54	N	42.8	Very low	38.2	Very low	113 Å²	113	89.7 Å²	89.7	60%	0.604	47%	0.465	S	S	*	.	H	α-helix	trans	-73.4	-23.4	-177.7	-73.9	-14.3	0	0	0	114.1	I50	I50-N54 WeakPolarHBondContact O-CB 3.46Å; I50-N54 PolarHBondContact O-N 3.41Å; I50-N54 PolarHBondContact O-ND2 3.35Å
55	N	44.3	Very low	37.7	Very low	130 Å²	130	89.1 Å²	89.1	70%	0.695	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.4	-0	-172.7	-74.1	-12.5	0	0	0	114.7	N51 L53	N51-N55 WeakPolarHBondContact O-CB 3.26Å; N51-N55 PolarHBondContact O-N 3.46Å; N51-N55 PolarHBondContact O-ND2 3.19Å; L53-N55 VanDerWaalsContact C-N 3.35Å; L53-N55 PolarHBondContact O-N 2.87Å
56	N	42.4	Very low	37.9	Very low	67 Å²	67	93.4 Å²	93.4	36%	0.358	49%	0.486	S	S	.	.			trans	-144.4	85.1	176.6	-81.4	-53.7	0	0	0	110.8	D58 K59 I60	N56-D58 PolarHBondContact O-N 3.46Å; N56-D58 VanDerWaalsContact O-N 3.12Å; N56-K59 HydrophobicContact CB-CB 3.76Å; N56-K59 HydrophobicContact CB-CD 3.9Å; N56-K59 HydrophobicContact CB-CG 3.76Å; N56-K59 PolarHBondContact O-N 3.39Å; N56-I60 PolarHBondContact O-N 3.4Å
57	H	41.6	Very low	38.3	Very low	150 Å²	150	95.5 Å²	95.5	69%	0.694	49%	0.492	S	S	*	.	H	α-helix	trans	-51.7	-30.9	169	-96.7	-72	0	0	0	112.5	K59 I60	H57-K59 PolarHBondContact O-N 3.22Å; H57-I60 PolarHBondContact O-N 2.9Å
58	D	41.7	Very low	38.4	Very low	126 Å²	126	93.1 Å²	93.1	67%	0.674	48%	0.48	S	S	*	.	H	α-helix	trans	-73.7	-22.9	176.6	-64.4	-29	0	0	0	113.8	N56	N56-D58 PolarHBondContact O-N 3.46Å; N56-D58 VanDerWaalsContact O-N 3.12Å
59	K	40.8	Very low	38.5	Very low	124 Å²	124	97.5 Å²	97.5	54%	0.539	50%	0.502	S	S	.	.	H	α-helix	trans	-85.3	-24.4	174.2	-71.8	-174.4	-178.5	-178.1	0	112.8	N56 H57 N61 N62 F63	N56-K59 HydrophobicContact CB-CB 3.76Å; N56-K59 HydrophobicContact CB-CD 3.9Å; N56-K59 HydrophobicContact CB-CG 3.76Å; N56-K59 PolarHBondContact O-N 3.39Å; H57-K59 PolarHBondContact O-N 3.22Å; K59-N61 VanDerWaalsContact C-N 3.29Å; K59-N61 PolarHBondContact O-N 2.88Å; K59-N62 CarbonylContact O-C 3.51Å; K59-N62 WeakPolarHBondContact O-CA 3.3Å; K59-N62 WeakPolarHBondContact O-CB 3.47Å; K59-N62 PolarHBondContact O-N 3.33Å; K59-F63 PolarHBondContact O-N 3.4Å
60	I	36	Very low	38.5	Very low	52 Å²	52	101.5 Å²	101.5	27%	0.267	52%	0.519	S	S	.	.	H	α-helix	trans	-62.7	-40.1	173	-69.5	167.4	0	0	0	110.3	L53 N56 H57 N62 F63 I64	L53-I60 HydrophobicContact CD2-CG1 4.37Å; L53-I60 WeakPolarHBondContact O-CD1 3.33Å; N56-I60 PolarHBondContact O-N 3.4Å; H57-I60 PolarHBondContact O-N 2.9Å; I60-N62 VanDerWaalsContact C-N 3.27Å; I60-N62 PolarHBondContact O-N 3.31Å; I60-F63 PolarHBondContact O-N 3.02Å; I60-F63 VanDerWaalsContact O-N 3.15Å; I60-I64 HydrophobicContact CG2-CD1 4.06Å; I60-I64 WeakPolarHBondContact O-CG1 3.32Å; I60-I64 PolarHBondContact O-N 3.06Å; I60-I64 VanDerWaalsContact O-N 3.13Å
61	N	34.1	Very low	38.5	Very low	97 Å²	97	103.4 Å²	103.4	52%	0.519	53%	0.53	S	S	.	.	H	α-helix	trans	-61.2	-37.4	171.8	-75.7	-18.8	0	0	0	111.5	K59 F63 I64 N65	K59-N61 VanDerWaalsContact C-N 3.29Å; K59-N61 PolarHBondContact O-N 2.88Å; N61-F63 VanDerWaalsContact C-N 3.32Å; N61-F63 PolarHBondContact O-N 3.24Å; N61-I64 PolarHBondContact O-N 3.49Å; N61-N65 PolarHBondContact O-N 2.82Å; N61-N65 PolarHBondContact O-ND2 3.36Å; N61-N65 PolarHBondContact O-OD1 3.38Å
62	N	34	Very low	38.3	Very low	104 Å²	104	105.7 Å²	105.7	56%	0.556	54%	0.535	S	S	*	.	H	α-helix	trans	-69.2	-24.9	175.9	-68.6	-24.4	0	0	0	114.3	K59 I60 N65	K59-N62 CarbonylContact O-C 3.51Å; K59-N62 WeakPolarHBondContact O-CA 3.3Å; K59-N62 WeakPolarHBondContact O-CB 3.47Å; K59-N62 PolarHBondContact O-N 3.33Å; I60-N62 VanDerWaalsContact C-N 3.27Å; I60-N62 PolarHBondContact O-N 3.31Å; N62-N65 WeakPolarHBondContact O-CB 3.3Å; N62-N65 PolarHBondContact O-N 3.15Å; N62-N65 PolarHBondContact OD1-ND2 3.34Å
63	F	34.2	Very low	38.3	Very low	91 Å²	91	105.4 Å²	105.4	40%	0.399	53%	0.532	S	S	.	.	H	α-helix	trans	-79.6	-31.2	174.5	-102.4	-85.9	0	0	0	112.8	P48 K59 I60 N61 N65 I66	P48-F63 HydrophobicContact CB-CE2 4.32Å; P48-F63 HydrophobicContact CB-CZ 4.39Å; P48-F63 HydrophobicContact CG-CE1 4.14Å; P48-F63 HydrophobicContact CG-CE2 3.8Å; P48-F63 HydrophobicContact CG-CZ 3.57Å; K59-F63 PolarHBondContact O-N 3.4Å; I60-F63 PolarHBondContact O-N 3.02Å; I60-F63 VanDerWaalsContact O-N 3.15Å; N61-F63 VanDerWaalsContact C-N 3.32Å; N61-F63 PolarHBondContact O-N 3.24Å; F63-N65 PolarHBondContact O-N 3.03Å; F63-I66 HydrophobicContact CD1-CD1 4.44Å
64	I	33.6	Very low	38.7	Very low	96 Å²	96	105.8 Å²	105.8	49%	0.492	53%	0.534	S	S	.	.	H	α-helix	trans	-70	-14.3	172.5	-67.5	168	0	0	0	111.2	I60 N61 I66 F73	I60-I64 HydrophobicContact CG2-CD1 4.06Å; I60-I64 WeakPolarHBondContact O-CG1 3.32Å; I60-I64 PolarHBondContact O-N 3.06Å; I60-I64 VanDerWaalsContact O-N 3.13Å; N61-I64 PolarHBondContact O-N 3.49Å; I64-I66 VanDerWaalsContact C-N 3.34Å; I64-I66 PolarHBondContact O-N 3.13Å; I64-F73 HydrophobicContact CG2-CE1 3.72Å; I64-F73 HydrophobicContact CG2-CZ 4.05Å
65	N	31.1	Very low	38.7	Very low	59 Å²	59	103.8 Å²	103.8	32%	0.316	52%	0.523	S	S	.	.	G	3₁₀ helix	trans	-81.4	3.8	-177.6	-65.1	-13.7	0	0	0	115.7	N61 N62 F63 L67 I68	N61-N65 PolarHBondContact O-N 2.82Å; N61-N65 PolarHBondContact O-ND2 3.36Å; N61-N65 PolarHBondContact O-OD1 3.38Å; N62-N65 WeakPolarHBondContact O-CB 3.3Å; N62-N65 PolarHBondContact O-N 3.15Å; N62-N65 PolarHBondContact OD1-ND2 3.34Å; F63-N65 PolarHBondContact O-N 3.03Å; N65-L67 PolarHBondContact O-N 3.13Å; N65-L67 VanDerWaalsContact O-N 3.14Å; N65-I68 HydrophobicContact CB-CB 4.43Å; N65-I68 HydrophobicContact CB-CD1 3.73Å; N65-I68 HydrophobicContact CB-CG1 4.14Å; N65-I68 VanDerWaalsContact CG-CD1 3.4Å; N65-I68 WeakPolarHBondContact O-CB 3.41Å; N65-I68 PolarHBondContact O-N 3.06Å; N65-I68 WeakPolarHBondContact OD1-CD1 3.47Å
66	I	41.1	Very low	38.8	Very low	110 Å²	110	102.9 Å²	102.9	56%	0.564	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-65.7	-18	-178.9	-63.6	172.7	0	0	0	112.3	F63 I64	F63-I66 HydrophobicContact CD1-CD1 4.44Å; I64-I66 VanDerWaalsContact C-N 3.34Å; I64-I66 PolarHBondContact O-N 3.13Å
67	L	39.7	Very low	39	Very low	108 Å²	108	104.2 Å²	104.2	57%	0.565	52%	0.524	S	S	*	.	G	3₁₀ helix	trans	-108.4	33	172.9	-65.7	160.8	0	0	0	112	N65 F73 I74	N65-L67 PolarHBondContact O-N 3.13Å; N65-L67 VanDerWaalsContact O-N 3.14Å; L67-F73 CarbonylContact O-C 3.52Å; L67-I74 HydrophobicContact CB-CB 4.41Å; L67-I74 HydrophobicContact CB-CD1 4.11Å; L67-I74 HydrophobicContact CB-CG1 4.16Å; L67-I74 HydrophobicContact CD2-CD1 3.44Å; L67-I74 VanDerWaalsContact CD2-CD1 3.44Å; L67-I74 HydrophobicContact CD2-CG1 4.4Å; L67-I74 HydrophobicContact CG-CD1 4.33Å; L67-I74 PolarHBondContact O-N 2.77Å
68	I	37.9	Very low	39.3	Very low	47 Å²	47	101.8 Å²	101.8	24%	0.241	52%	0.516	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	112.7	174.1	-63.5	-172.7	0	0	0	109.6	N65 K72 F73	N65-I68 HydrophobicContact CB-CB 4.43Å; N65-I68 HydrophobicContact CB-CD1 3.73Å; N65-I68 HydrophobicContact CB-CG1 4.14Å; N65-I68 VanDerWaalsContact CG-CD1 3.4Å; N65-I68 WeakPolarHBondContact O-CB 3.41Å; N65-I68 PolarHBondContact O-N 3.06Å; N65-I68 WeakPolarHBondContact OD1-CD1 3.47Å; I68-K72 WeakPolarHBondContact CA-O 3.46Å; I68-F73 HydrophobicContact CD1-CD1 4.41Å; I68-F73 HydrophobicContact CD1-CD2 4.39Å; I68-F73 HydrophobicContact CD1-CE1 4.15Å; I68-F73 HydrophobicContact CD1-CE2 4.13Å; I68-F73 HydrophobicContact CD1-CZ 4Å; I68-F73 HydrophobicContact CG1-CD1 4.15Å; I68-F73 HydrophobicContact CG1-CE1 4.27Å; I68-F73 HydrophobicContact CG1-CG 4.34Å
69	N	38.5	Very low	39.5	Very low	120 Å²	120	101.6 Å²	101.6	64%	0.642	51%	0.506	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.9	120.6	160.3	-166.7	11.4	0	0	0	106.9	K72	N69-K72 PolarHBondContact N-O 2.81Å; N69-K72 PolarHBondContact O-N 3.16Å
70	D	37.4	Very low	39.8	Very low	137 Å²	137	98.7 Å²	98.7	73%	0.733	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	53.4	175.4	-63.4	-29.8	0	0	0	116.4	K72	D70-K72 PolarHBondContact O-N 2.96Å
71	N	38.9	Very low	40.7	Very low	160 Å²	160	102.8 Å²	102.8	86%	0.856	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.5	14	-178.6	-71	-14.8	0	0	0	114.5
72	K	35.5	Very low	41.6	Very low	159 Å²	159	103 Å²	103	69%	0.691	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110	117	168.6	-66.4	177.2	-177.7	174.4	0	105.7	I68 N69 D70 I74	I68-K72 WeakPolarHBondContact CA-O 3.46Å; N69-K72 PolarHBondContact N-O 2.81Å; N69-K72 PolarHBondContact O-N 3.16Å; D70-K72 PolarHBondContact O-N 2.96Å; K72-I74 PolarHBondContact O-N 2.96Å
73	F	40.6	Very low	42.5	Very low	105 Å²	105	99.6 Å²	99.6	46%	0.461	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-44.1	140.4	156.5	-77.9	-84.5	0	0	0	107.6	I64 L67 I68 N75	I64-F73 HydrophobicContact CG2-CE1 3.72Å; I64-F73 HydrophobicContact CG2-CZ 4.05Å; L67-F73 CarbonylContact O-C 3.52Å; I68-F73 HydrophobicContact CD1-CD1 4.41Å; I68-F73 HydrophobicContact CD1-CD2 4.39Å; I68-F73 HydrophobicContact CD1-CE1 4.15Å; I68-F73 HydrophobicContact CD1-CE2 4.13Å; I68-F73 HydrophobicContact CD1-CZ 4Å; I68-F73 HydrophobicContact CG1-CD1 4.15Å; I68-F73 HydrophobicContact CG1-CE1 4.27Å; I68-F73 HydrophobicContact CG1-CG 4.34Å; F73-N75 PolarHBondContact O-N 3.29Å
74	I	46.2	Very low	43.4	Very low	66 Å²	66	100.1 Å²	100.1	34%	0.338	50%	0.5	S	S	.	.			trans	-45.6	108.5	152.2	-68.9	-175.1	0	0	0	103.4	L67 K72 I76 W79	L67-I74 HydrophobicContact CB-CB 4.41Å; L67-I74 HydrophobicContact CB-CD1 4.11Å; L67-I74 HydrophobicContact CB-CG1 4.16Å; L67-I74 HydrophobicContact CD2-CD1 3.44Å; L67-I74 VanDerWaalsContact CD2-CD1 3.44Å; L67-I74 HydrophobicContact CD2-CG1 4.4Å; L67-I74 HydrophobicContact CG-CD1 4.33Å; L67-I74 PolarHBondContact O-N 2.77Å; K72-I74 PolarHBondContact O-N 2.96Å; I74-I76 PolarHBondContact O-N 3.16Å; I74-W79 HydrophobicContact CG2-CB 4Å; I74-W79 HydrophobicContact CG2-CE3 4.47Å
75	N	43.3	Very low	44.2	Very low	71 Å²	71	99.6 Å²	99.6	38%	0.38	50%	0.504	S	S	.	.			trans	-54.5	119	-172.2	179.7	-14.4	0	0	0	103.9	F73 D77 L78 W79	F73-N75 PolarHBondContact O-N 3.29Å; N75-D77 CarbonylContact O-C 3.6Å; N75-D77 PolarHBondContact O-N 3.12Å; N75-D77 WeakPolarHBondContact OD1-CA 3.45Å; N75-D77 WeakPolarHBondContact OD1-CB 3.42Å; N75-D77 VanDerWaalsContact OD1-CG 3.26Å; N75-D77 PolarHBondContact OD1-N 3.37Å; N75-D77 PolarHBondContact OD1-OD2 2.84Å; N75-L78 HydrophobicContact CB-CB 3.95Å; N75-L78 HydrophobicContact CB-CD1 3.89Å; N75-L78 HydrophobicContact CB-CG 4.04Å; N75-L78 CarbonylContact O-C 3.56Å; N75-L78 VanDerWaalsContact O-CA 3.31Å; N75-L78 WeakPolarHBondContact O-CA 3.4Å; N75-L78 WeakPolarHBondContact O-CB 3.38Å; N75-L78 PolarHBondContact O-N 2.97Å; N75-W79 PolarHBondContact O-N 2.91Å
76	I	46.8	Very low	44.9	Very low	112 Å²	112	100.5 Å²	100.5	57%	0.574	51%	0.509	S	S	*	.	H	α-helix	trans	-55	-29.3	-179.7	-72.7	167.2	0	0	0	108	I74 W79 N80	I74-I76 PolarHBondContact O-N 3.16Å; I76-W79 PolarHBondContact O-N 3.02Å; I76-N80 VanDerWaalsContact CG2-ND2 3.29Å; I76-N80 WeakPolarHBondContact CG2-ND2 2.94Å; I76-N80 WeakPolarHBondContact O-CA 3.4Å; I76-N80 WeakPolarHBondContact O-CB 3.25Å; I76-N80 PolarHBondContact O-N 2.98Å; I76-N80 PolarHBondContact O-ND2 3.07Å
77	D	45.8	Very low	45.3	Very low	94 Å²	94	102 Å²	102	50%	0.503	52%	0.518	S	S	.	.	H	α-helix	trans	-68.4	-32.1	169.9	-51.7	-32.5	0	0	0	114	N75 K81	N75-D77 CarbonylContact O-C 3.6Å; N75-D77 PolarHBondContact O-N 3.12Å; N75-D77 WeakPolarHBondContact OD1-CA 3.45Å; N75-D77 WeakPolarHBondContact OD1-CB 3.42Å; N75-D77 VanDerWaalsContact OD1-CG 3.26Å; N75-D77 PolarHBondContact OD1-N 3.37Å; N75-D77 PolarHBondContact OD1-OD2 2.84Å; D77-K81 WeakPolarHBondContact O-CA 3.38Å; D77-K81 WeakPolarHBondContact O-CB 3.4Å; D77-K81 WeakPolarHBondContact O-CD 3.39Å; D77-K81 WeakPolarHBondContact O-CG 3.17Å; D77-K81 PolarHBondContact O-N 3Å
78	L	48.4	Very low	45.8	Very low	99 Å²	99	104.1 Å²	104.1	52%	0.518	53%	0.53	S	S	.	.	H	α-helix	trans	-71.6	-43.4	171.5	-86.8	165.1	0	0	0	111.6	N75 K81 M82	N75-L78 HydrophobicContact CB-CB 3.95Å; N75-L78 HydrophobicContact CB-CD1 3.89Å; N75-L78 HydrophobicContact CB-CG 4.04Å; N75-L78 CarbonylContact O-C 3.56Å; N75-L78 VanDerWaalsContact O-CA 3.31Å; N75-L78 WeakPolarHBondContact O-CA 3.4Å; N75-L78 WeakPolarHBondContact O-CB 3.38Å; N75-L78 PolarHBondContact O-N 2.97Å; L78-K81 PolarHBondContact O-N 2.94Å; L78-M82 WeakPolarHBondContact O-CG 3.33Å; L78-M82 PolarHBondContact O-N 3.3Å
79	W	45.3	Very low	46.3	Very low	122 Å²	122	108.3 Å²	108.3	46%	0.462	55%	0.553	S	S	.	*	H	α-helix	trans	-61.3	-51	174	-176.2	-100.2	0	0	0	110.6	I74 N75 I76 K81 M82 I83	I74-W79 HydrophobicContact CG2-CB 4Å; I74-W79 HydrophobicContact CG2-CE3 4.47Å; N75-W79 PolarHBondContact O-N 2.91Å; I76-W79 PolarHBondContact O-N 3.02Å; W79-K81 VanDerWaalsContact C-N 3.31Å; W79-K81 PolarHBondContact O-N 3.21Å; W79-M82 HydrophobicContact CE3-CE 4.24Å; W79-M82 PolarHBondContact O-N 3.37Å; W79-M82 VanDerWaalsContact O-N 3.14Å; W79-I83 HydrophobicContact CD2-CD1 4.35Å; W79-I83 HydrophobicContact CG-CD1 4.33Å; W79-I83 HydrophobicContact CZ2-CD1 4.16Å; W79-I83 WeakPolarHBondContact O-CG1 3.42Å; W79-I83 PolarHBondContact O-N 2.77Å
80	N	48.4	Very low	46.8	Very low	64 Å²	64	111.7 Å²	111.7	34%	0.342	57%	0.565	S	S	.	*	H	α-helix	trans	-64.8	-31.6	173.7	-69	-17.3	0	0	0	111.7	I76 I83 N84	I76-N80 VanDerWaalsContact CG2-ND2 3.29Å; I76-N80 WeakPolarHBondContact CG2-ND2 2.94Å; I76-N80 WeakPolarHBondContact O-CA 3.4Å; I76-N80 WeakPolarHBondContact O-CB 3.25Å; I76-N80 PolarHBondContact O-N 2.98Å; I76-N80 PolarHBondContact O-ND2 3.07Å; N80-I83 CarbonylContact O-C 3.58Å; N80-I83 PolarHBondContact O-N 3.18Å; N80-N84 VanDerWaalsContact O-CA 3.24Å; N80-N84 WeakPolarHBondContact O-CA 3.33Å; N80-N84 WeakPolarHBondContact O-CB 3.08Å; N80-N84 PolarHBondContact O-N 3.35Å; N80-N84 PolarHBondContact O-ND2 3.43Å
81	K	53.6	Low	47.4	Very low	137 Å²	137	112 Å²	112	60%	0.596	57%	0.567	S	S	*	*	H	α-helix	trans	-68.1	-39.3	172.4	-86.7	166.7	-173.3	180	0	110.8	D77 L78 W79 I83 N84 S85	D77-K81 WeakPolarHBondContact O-CA 3.38Å; D77-K81 WeakPolarHBondContact O-CB 3.4Å; D77-K81 WeakPolarHBondContact O-CD 3.39Å; D77-K81 WeakPolarHBondContact O-CG 3.17Å; D77-K81 PolarHBondContact O-N 3Å; L78-K81 PolarHBondContact O-N 2.94Å; W79-K81 VanDerWaalsContact C-N 3.31Å; W79-K81 PolarHBondContact O-N 3.21Å; K81-I83 VanDerWaalsContact C-N 3.33Å; K81-N84 CarbonylContact O-C 3.58Å; K81-N84 PolarHBondContact O-N 3.2Å; K81-S85 VanDerWaalsContact O-CA 3.24Å; K81-S85 WeakPolarHBondContact O-CA 3.48Å; K81-S85 WeakPolarHBondContact O-CB 3.4Å; K81-S85 PolarHBondContact O-N 3.02Å
82	M	52.6	Low	48	Very low	101 Å²	101	109.3 Å²	109.3	50%	0.498	55%	0.552	S	S	.	*	H	α-helix	trans	-63	-42.7	173.6	-73.7	-168.5	-74.2	0	0	110.9	L78 W79 Q197	L78-M82 WeakPolarHBondContact O-CG 3.33Å; L78-M82 PolarHBondContact O-N 3.3Å; W79-M82 HydrophobicContact CE3-CE 4.24Å; W79-M82 PolarHBondContact O-N 3.37Å; W79-M82 VanDerWaalsContact O-N 3.14Å; M82-Q197 PolarHBondContact O-OE1 3.46Å
83	I	53.6	Low	49.4	Very low	33 Å²	33	106.9 Å²	106.9	17%	0.169	55%	0.547	C	S	.	.	H	α-helix	trans	-79.8	-20.3	179.3	-62.8	174.2	0	0	0	113.6	W79 N80 K81 L190 Q197	W79-I83 HydrophobicContact CD2-CD1 4.35Å; W79-I83 HydrophobicContact CG-CD1 4.33Å; W79-I83 HydrophobicContact CZ2-CD1 4.16Å; W79-I83 WeakPolarHBondContact O-CG1 3.42Å; W79-I83 PolarHBondContact O-N 2.77Å; N80-I83 CarbonylContact O-C 3.58Å; N80-I83 PolarHBondContact O-N 3.18Å; K81-I83 VanDerWaalsContact C-N 3.33Å; I83-L190 HydrophobicContact CD1-CD1 4.39Å; I83-Q197 VanDerWaalsContact C-NE2 3.3Å; I83-Q197 PolarHBondContact O-NE2 3.45Å; I83-Q197 PolarHBondContact O-OE1 3.02Å; I83-Q197 VanDerWaalsContact O-OE1 3.08Å
84	N	52.8	Low	51.3	Low	103 Å²	103	107 Å²	107	55%	0.551	55%	0.547	S	S	*	.	H	α-helix	trans	-124	18.8	-175.2	-56.6	-31.2	0	0	0	112.4	N80 K81 N86	N80-N84 VanDerWaalsContact O-CA 3.24Å; N80-N84 WeakPolarHBondContact O-CA 3.33Å; N80-N84 WeakPolarHBondContact O-CB 3.08Å; N80-N84 PolarHBondContact O-N 3.35Å; N80-N84 PolarHBondContact O-ND2 3.43Å; K81-N84 CarbonylContact O-C 3.58Å; K81-N84 PolarHBondContact O-N 3.2Å; N84-N86 PolarHBondContact O-N 3.49Å
85	S	50.1	Low	53.3	Low	85 Å²	85	106.3 Å²	106.3	59%	0.594	55%	0.547	S	S	*	.			trans	-63.4	20.7	176.7	162.9	0	0	0	0	113.1	K81	K81-S85 VanDerWaalsContact O-CA 3.24Å; K81-S85 WeakPolarHBondContact O-CA 3.48Å; K81-S85 WeakPolarHBondContact O-CB 3.4Å; K81-S85 PolarHBondContact O-N 3.02Å
86	N	47.3	Very low	55.5	Low	78 Å²	78	105 Å²	105	42%	0.417	54%	0.539	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	10.9	-159.2	-118.2	2.9	0	0	0	116.3	N84 Q197	N84-N86 PolarHBondContact O-N 3.49Å; N86-Q197 HydrophobicContact CB-CG 4.49Å; N86-Q197 VanDerWaalsContact CG-CG 3.43Å; N86-Q197 WeakPolarHBondContact ND2-CG 3.24Å; N86-Q197 PolarHBondContact ND2-NE2 3Å; N86-Q197 VanDerWaalsContact ND2-NE2 3.19Å; N86-Q197 VanDerWaalsContact OD1-CG 3.31Å; N86-Q197 WeakPolarHBondContact OD1-CG 3.26Å
87	N	49.1	Very low	57.6	Low	140 Å²	140	101.3 Å²	101.3	75%	0.749	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	-10.6	-171.4	-76.3	-4.3	0	0	0	116
88	N	50.4	Low	59.7	Low	154 Å²	154	98.5 Å²	98.5	82%	0.824	51%	0.505	S	S	*	.	S	Bend	trans	-150.8	6.2	-173.9	-79.2	-44.1	0	0	0	118.6
89	N	47.2	Very low	61.8	Low	135 Å²	135	94.8 Å²	94.8	72%	0.722	49%	0.49	S	S	*	.			trans	-143.3	86.5	176.8	-97.9	-22.9	0	0	0	111.8	N91	N89-N91 PolarHBondContact O-N 3.33Å
90	H	49.9	Very low	64	Low	191 Å²	191	89 Å²	89	88%	0.884	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	11.1	179.5	-97.3	-66.5	0	0	0	115.9
91	N	49.4	Very low	66.1	Low	144 Å²	144	85.9 Å²	85.9	77%	0.77	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-124.4	13.1	-165.1	-101.6	10.4	0	0	0	116.7	N89	N89-N91 PolarHBondContact O-N 3.33Å
92	N	52.8	Low	67.9	Low	102 Å²	102	79.4 Å²	79.4	55%	0.545	42%	0.423	S	S	.	.			trans	-102.8	83.6	175	-77.4	-17.9	0	0	0	110.8	K94	N92-K94 HydrophobicContact CB-CG 4.29Å; N92-K94 PolarHBondContact O-N 2.79Å
93	N	63.7	Low	69.7	Low	109 Å²	109	75 Å²	75	58%	0.583	40%	0.401	S	S	*	.			trans	-60	86.4	162.7	-72.9	-7.4	0	0	0	108.6	P95	N93-P95 WeakPolarHBondContact O-CD 3.43Å
94	K	80.4	Confident	71.4	Confident	106 Å²	106	74 Å²	74	46%	0.461	40%	0.396	S	S	.	.			trans	-94.8	99.7	174.3	-71.9	-179.4	-177.5	179.1	0	107.2	N92 Y198 Y199	N92-K94 HydrophobicContact CB-CG 4.29Å; N92-K94 PolarHBondContact O-N 2.79Å; K94-Y198 HydrophobicContact CB-CD1 3.47Å; K94-Y198 VanDerWaalsContact CB-CD1 3.47Å; K94-Y198 HydrophobicContact CB-CE1 3.83Å; K94-Y198 HydrophobicContact CD-CD1 4.46Å; K94-Y198 HydrophobicContact CD-CE1 3.99Å; K94-Y198 WeakPolarHBondContact O-CA 3.41Å; K94-Y198 WeakPolarHBondContact O-CB 2.99Å; K94-Y198 WeakPolarHBondContact O-CD1 3.28Å; K94-Y199 PolarHBondContact O-N 2.86Å
95	P	88.1	Confident	73	Confident	53 Å²	53	69.5 Å²	69.5	34%	0.344	37%	0.372	S	S	.	.			trans	-64.2	145.7	175.2	29.3	-36.7	0	0	0	109.5	N93 P200 F279 G283	N93-P95 WeakPolarHBondContact O-CD 3.43Å; P95-P200 CarbonylContact C-O 3.53Å; P95-P200 VanDerWaalsContact CA-O 3.27Å; P95-P200 WeakPolarHBondContact CA-O 3.03Å; P95-P200 HydrophobicContact CB-CG 4.17Å; P95-F279 HydrophobicContact CB-CE2 3.58Å; P95-F279 HydrophobicContact CB-CZ 3.76Å; P95-F279 HydrophobicContact CG-CE2 4.4Å; P95-F279 HydrophobicContact CG-CZ 4.23Å; P95-G283 WeakPolarHBondContact CB-O 3.28Å
96	M	89.9	Confident	74.6	Confident	44 Å²	44	66 Å²	66	22%	0.217	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	138.4	177.9	-174.6	177.2	-69.6	0	0	110.9	L194 Y198 P200 I201 Y202	M96-L194 HydrophobicContact CE-CD1 4.34Å; M96-L194 HydrophobicContact SD-CD1 3.96Å; M96-Y198 HydrophobicContact CE-CD1 3.64Å; M96-Y198 HydrophobicContact CE-CD2 4.27Å; M96-Y198 HydrophobicContact CE-CE1 3.66Å; M96-Y198 HydrophobicContact CE-CE2 4.34Å; M96-Y198 HydrophobicContact CE-CG 3.97Å; M96-P200 PolarHBondContact N-O 3.06Å; M96-I201 HydrophobicContact CB-CG1 4.36Å; M96-I201 HydrophobicContact CB-CG2 4.49Å; M96-I201 CarbonylContact O-C 3.57Å; M96-I201 VanDerWaalsContact O-CA 3.31Å; M96-I201 WeakPolarHBondContact O-CA 3.42Å; M96-Y202 PolarHBondContact O-N 2.92Å
97	I	90.5	Very high	76	Confident	33 Å²	33	62.6 Å²	62.6	17%	0.169	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	137.5	160.2	-59.5	169	0	0	0	107.6	Y202 Y204 M276 F279 I285 W288	I97-Y202 WeakPolarHBondContact CA-O 2.94Å; I97-Y202 HydrophobicContact CG1-CD2 4.18Å; I97-Y204 HydrophobicContact CG2-CD1 3.88Å; I97-Y204 HydrophobicContact CG2-CE1 4.14Å; I97-M276 HydrophobicContact CD1-CE 4.11Å; I97-M276 HydrophobicContact CD1-SD 3.71Å; I97-M276 HydrophobicContact CG2-CE 3.98Å; I97-F279 HydrophobicContact CD1-CB 3.42Å; I97-F279 VanDerWaalsContact CD1-CB 3.42Å; I97-F279 HydrophobicContact CD1-CD1 3.46Å; I97-F279 VanDerWaalsContact CD1-CD1 3.46Å; I97-F279 HydrophobicContact CD1-CD2 3.49Å; I97-F279 VanDerWaalsContact CD1-CD2 3.49Å; I97-F279 HydrophobicContact CD1-CE1 4.02Å; I97-F279 HydrophobicContact CD1-CE2 4.02Å; I97-F279 HydrophobicContact CD1-CG 3.16Å; I97-F279 HydrophobicContact CD1-CZ 4.27Å; I97-F279 HydrophobicContact CG1-CB 4.4Å; I97-F279 HydrophobicContact CG1-CD1 3.93Å; I97-F279 HydrophobicContact CG1-CD2 3.51Å; I97-F279 HydrophobicContact CG1-CE1 3.99Å; I97-F279 HydrophobicContact CG1-CE2 3.55Å; I97-F279 HydrophobicContact CG1-CG 3.69Å; I97-F279 HydrophobicContact CG1-CZ 3.8Å; I97-I285 HydrophobicContact CD1-CD1 3.42Å; I97-I285 VanDerWaalsContact CD1-CD1 3.42Å; I97-I285 HydrophobicContact CD1-CG1 4.38Å; I97-I285 HydrophobicContact CG1-CD1 3.96Å; I97-W288 HydrophobicContact CG2-CZ3 3.99Å
98	I	91.4	Very high	77	Confident	36 Å²	36	58 Å²	58	19%	0.185	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	150.9	174.2	-164.9	163.7	0	0	0	108.8	L187 V191 I201 Y202 Q203 Y204	I98-L187 HydrophobicContact CD1-CD1 3.33Å; I98-L187 HydrophobicContact CD1-CG 4.46Å; I98-L187 HydrophobicContact CG1-CD1 3.79Å; I98-V191 HydrophobicContact CG2-CG2 3.52Å; I98-I201 HydrophobicContact CG2-CG2 4.41Å; I98-Y202 PolarHBondContact N-O 3.22Å; I98-Y202 VanDerWaalsContact O-O 3.14Å; I98-Q203 HydrophobicContact CG2-CB 4.33Å; I98-Q203 HydrophobicContact CG2-CG 4.33Å; I98-Q203 CarbonylContact O-C 3.59Å; I98-Q203 WeakPolarHBondContact O-CA 3.49Å; I98-Y204 WeakPolarHBondContact O-CD1 3.46Å; I98-Y204 PolarHBondContact O-N 3.46Å
99	G	91.7	Very high	77.7	Confident	20 Å²	20	54.7 Å²	54.7	21%	0.206	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-171	-172.7	176.3	0	0	0	0	0	112.5	Y204	G99-Y204 VanDerWaalsContact CA-CE1 3.45Å; G99-Y204 WeakPolarHBondContact CA-O 3.14Å
100	Q	92.2	Very high	78.6	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	165.6	-173.7	60.2	176.2	89.7	0	0	110	E104 L183 T184 L187 Y204 Y205 L206	Q100-E104 WeakPolarHBondContact CA-OE1 3.2Å; Q100-E104 HydrophobicContact CB-CG 4.47Å; Q100-E104 VanDerWaalsContact CB-OE1 3.24Å; Q100-E104 WeakPolarHBondContact CB-OE1 3.3Å; Q100-L183 HydrophobicContact CB-CD2 3.74Å; Q100-T184 PolarHBondContact NE2-OG1 3.46Å; Q100-T184 VanDerWaalsContact OE1-CA 3.28Å; Q100-L187 HydrophobicContact CB-CD2 4.12Å; Q100-L187 HydrophobicContact CG-CD2 4.33Å; Q100-Y204 PolarHBondContact N-O 2.8Å; Q100-Y205 HydrophobicContact CG-CD2 3.57Å; Q100-Y205 HydrophobicContact CG-CE2 4.17Å; Q100-Y205 HydrophobicContact CG-CG 4.39Å; Q100-Y205 WeakPolarHBondContact O-CA 3.44Å; Q100-L206 PolarHBondContact O-N 2.94Å
101	T	92.3	Very high	79.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	164.7	166.2	67.6	0	0	0	0	110.7	H103 E104 L206 A225 F226 W229 D230	T101-H103 VanDerWaalsContact C-N 3.35Å; T101-E104 PolarHBondContact N-OE1 3.44Å; T101-E104 WeakPolarHBondContact O-CG 3.43Å; T101-E104 VanDerWaalsContact OG1-CD 3.3Å; T101-E104 PolarHBondContact OG1-OE1 2.97Å; T101-L206 CarbonylContact C-O 3.6Å; T101-L206 VanDerWaalsContact CA-O 3.31Å; T101-L206 WeakPolarHBondContact CA-O 3.28Å; T101-L206 HydrophobicContact CG2-CB 4.41Å; T101-L206 HydrophobicContact CG2-CD2 4.15Å; T101-A225 VanDerWaalsContact CB-O 3.26Å; T101-A225 WeakPolarHBondContact CB-O 3.4Å; T101-A225 PolarHBondContact OG1-O 2.92Å; T101-F226 WeakPolarHBondContact CB-O 3.48Å; T101-F226 VanDerWaalsContact CG2-O 3.27Å; T101-F226 WeakPolarHBondContact CG2-O 3.49Å; T101-F226 PolarHBondContact OG1-O 3.03Å; T101-W229 HydrophobicContact CG2-CB 4.27Å; T101-D230 HydrophobicContact CG2-CB 4.1Å
102	S	90	Very high	80.9	Confident	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.8	-28.3	-174.5	60.4	0	0	0	0	113.3	L176 Y205 L206 T207	S102-L176 VanDerWaalsContact O-CD2 3.25Å; S102-L176 WeakPolarHBondContact O-CD2 3.3Å; S102-Y205 VanDerWaalsContact CA-CZ 3.45Å; S102-Y205 WeakPolarHBondContact CA-OH 3.49Å; S102-Y205 VanDerWaalsContact CB-CE1 3.4Å; S102-Y205 VanDerWaalsContact CB-CZ 3.48Å; S102-Y205 WeakPolarHBondContact CB-OH 3.49Å; S102-Y205 PolarHBondContact O-OH 2.87Å; S102-L206 PolarHBondContact N-O 3.49Å; S102-T207 WeakPolarHBondContact CB-OG1 3.04Å; S102-T207 PolarHBondContact OG-OG1 2.81Å
103	H	90.8	Very high	82.4	Confident	8 Å²	8	45 Å²	45	4%	0.037	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-124.3	51.8	-175.7	-65	73	0	0	0	110.2	T101 V105 S106 S172 Y224 A225 F226	T101-H103 VanDerWaalsContact C-N 3.35Å; H103-V105 PolarHBondContact O-N 3.39Å; H103-S106 WeakPolarHBondContact O-CB 3.27Å; H103-S106 PolarHBondContact O-N 3.48Å; H103-S106 PolarHBondContact O-OG 3.23Å; H103-S172 PolarHBondContact NE2-OG 2.93Å; H103-S172 VanDerWaalsContact NE2-OG 3.11Å; H103-Y224 AromaticContact CD2-CG 3.73Å; H103-Y224 AromaticContact CE1-CD1 3.94Å; H103-Y224 VanDerWaalsContact CG-CB 3.47Å; H103-Y224 AromaticContact NE2-CD1 3.76Å; H103-Y224 AromaticContact NE2-CG 3.76Å; H103-A225 CarbonylContact C-O 3.18Å; H103-A225 WeakPolarHBondContact CA-O 3.15Å; H103-A225 WeakPolarHBondContact CB-O 3.31Å; H103-A225 PolarHBondContact N-O 3.29Å; H103-F226 WeakPolarHBondContact O-CA 3.24Å
104	E	89.3	Confident	83.2	Confident	14 Å²	14	39.9 Å²	39.9	7%	0.065	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-35.7	-178.9	-68	-78.4	-179	0	0	113.4	Q100 T101 S106 Y108 T179 L183 H227	Q100-E104 WeakPolarHBondContact CA-OE1 3.2Å; Q100-E104 HydrophobicContact CB-CG 4.47Å; Q100-E104 VanDerWaalsContact CB-OE1 3.24Å; Q100-E104 WeakPolarHBondContact CB-OE1 3.3Å; T101-E104 PolarHBondContact N-OE1 3.44Å; T101-E104 WeakPolarHBondContact O-CG 3.43Å; T101-E104 VanDerWaalsContact OG1-CD 3.3Å; T101-E104 PolarHBondContact OG1-OE1 2.97Å; E104-S106 PolarHBondContact O-N 3.32Å; E104-Y108 WeakPolarHBondContact O-CE2 3.12Å; E104-T179 HydrophobicContact CB-CG2 3.73Å; E104-T179 HydrophobicContact CG-CG2 3.74Å; E104-T179 PolarHBondContact N-OG1 3.02Å; E104-L183 HydrophobicContact CB-CD2 4.35Å; E104-L183 HydrophobicContact CG-CB 4.5Å; E104-L183 HydrophobicContact CG-CD2 3.46Å; E104-L183 VanDerWaalsContact CG-CD2 3.46Å; E104-L183 VanDerWaalsContact OE1-CD2 3.3Å; E104-L183 WeakPolarHBondContact OE1-CD2 3.28Å; E104-H227 WeakPolarHBondContact O-CB 3.36Å; E104-H227 WeakPolarHBondContact OE2-CA 3.29Å; E104-H227 WeakPolarHBondContact OE2-CB 3.32Å; E104-H227 IonicContact OE2-CE1 3.24Å; E104-H227 IonicContact OE2-CG 2.96Å; E104-H227 IonicContact OE2-ND1 2.86Å; E104-H227 PolarHBondContact OE2-ND1 3.37Å
105	V	86.7	Confident	83	Confident	7 Å²	7	38.3 Å²	38.3	4%	0.042	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	9.7	-172.5	-55.1	0	0	0	0	115	H103 Y108 M175 I178 T179 R182	H103-V105 PolarHBondContact O-N 3.39Å; V105-Y108 HydrophobicContact CB-CD2 3.96Å; V105-Y108 HydrophobicContact CB-CE2 4.31Å; V105-Y108 HydrophobicContact CG1-CE2 4.42Å; V105-Y108 VanDerWaalsContact O-CB 3.29Å; V105-Y108 WeakPolarHBondContact O-CB 3.46Å; V105-Y108 VanDerWaalsContact O-CD2 3.22Å; V105-Y108 WeakPolarHBondContact O-CD2 3.12Å; V105-Y108 PolarHBondContact O-N 3.43Å; V105-Y108 VanDerWaalsContact O-N 3.16Å; V105-M175 HydrophobicContact CG2-CB 4.29Å; V105-M175 WeakPolarHBondContact CG2-O 3.41Å; V105-M175 HydrophobicContact CG2-SD 3.88Å; V105-I178 HydrophobicContact CB-CB 4.45Å; V105-I178 HydrophobicContact CB-CG2 3.86Å; V105-I178 HydrophobicContact CG1-CG2 3.85Å; V105-I178 HydrophobicContact CG2-CB 3.53Å; V105-I178 HydrophobicContact CG2-CG2 3.49Å; V105-I178 VanDerWaalsContact CG2-CG2 3.49Å; V105-T179 VanDerWaalsContact CG2-OG1 3.28Å; V105-T179 WeakPolarHBondContact CG2-OG1 3.38Å; V105-T179 PolarHBondContact N-OG1 3.4Å; V105-R182 HydrophobicContact CG1-CB 4.35Å; V105-R182 HydrophobicContact CG1-CG 4.47Å
106	S	84.5	Confident	82.8	Confident	12 Å²	12	44.1 Å²	44.1	8%	0.084	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-16.1	-168	60.3	0	0	0	0	115.3	H103 E104 I222 F226	H103-S106 WeakPolarHBondContact O-CB 3.27Å; H103-S106 PolarHBondContact O-N 3.48Å; H103-S106 PolarHBondContact O-OG 3.23Å; E104-S106 PolarHBondContact O-N 3.32Å; S106-I222 WeakPolarHBondContact OG-CD1 3.38Å; S106-F226 VanDerWaalsContact OG-CB 3.3Å; S106-F226 WeakPolarHBondContact OG-CB 3.33Å
107	I	75.9	Confident	82.6	Confident	6 Å²	6	43.1 Å²	43.1	3%	0.031	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-13.8	164.6	58	171	0	0	0	112.8	F45 P215 Y216 F226 H227	F45-I107 HydrophobicContact CE1-CB 4.42Å; F45-I107 HydrophobicContact CE1-CD1 3.74Å; F45-I107 HydrophobicContact CE1-CG1 3.83Å; F45-I107 HydrophobicContact CZ-CD1 3.78Å; F45-I107 HydrophobicContact CZ-CG1 4.29Å; I107-P215 HydrophobicContact CG2-CG 4.09Å; I107-Y216 HydrophobicContact CB-CD2 4.44Å; I107-Y216 HydrophobicContact CB-CE2 4.37Å; I107-Y216 HydrophobicContact CD1-CD2 4.14Å; I107-Y216 HydrophobicContact CD1-CE2 3.56Å; I107-Y216 HydrophobicContact CG2-CD2 4.09Å; I107-Y216 HydrophobicContact CG2-CE2 3.83Å; I107-F226 HydrophobicContact CG2-CB 3.83Å; I107-F226 HydrophobicContact CG2-CD2 3.63Å; I107-F226 HydrophobicContact CG2-CG 3.89Å; I107-H227 HydrophobicContact CD1-CB 4.01Å
108	Y	70.7	Confident	82.4	Confident	43 Å²	43	46.1 Å²	46.1	17%	0.169	24%	0.243	C	C	.	.	S	Bend	trans	-78.4	146.5	-175.8	-64.1	-104.6	0	0	0	110.6	M44 F45 E104 V105 I110	M44-Y108 WeakPolarHBondContact CE-OH 3.31Å; M44-Y108 WeakPolarHBondContact O-CD1 3.46Å; M44-Y108 VanDerWaalsContact O-CE1 3.32Å; M44-Y108 WeakPolarHBondContact O-CE1 3.5Å; F45-Y108 AromaticContact CD1-CD1 3.6Å; F45-Y108 HydrophobicContact CD1-CD1 3.6Å; F45-Y108 HydrophobicContact CD1-CE1 4.07Å; F45-Y108 AromaticContact CD1-CG 3.96Å; F45-Y108 HydrophobicContact CD1-CG 3.96Å; F45-Y108 AromaticContact CE1-CD1 3.95Å; F45-Y108 HydrophobicContact CE1-CD1 3.95Å; F45-Y108 HydrophobicContact CE1-CD2 4.37Å; F45-Y108 HydrophobicContact CE1-CE1 4.1Å; F45-Y108 HydrophobicContact CE1-CG 4.12Å; E104-Y108 WeakPolarHBondContact O-CE2 3.12Å; V105-Y108 HydrophobicContact CB-CD2 3.96Å; V105-Y108 HydrophobicContact CB-CE2 4.31Å; V105-Y108 HydrophobicContact CG1-CE2 4.42Å; V105-Y108 VanDerWaalsContact O-CB 3.29Å; V105-Y108 WeakPolarHBondContact O-CB 3.46Å; V105-Y108 VanDerWaalsContact O-CD2 3.22Å; V105-Y108 WeakPolarHBondContact O-CD2 3.12Å; V105-Y108 PolarHBondContact O-N 3.43Å; V105-Y108 VanDerWaalsContact O-N 3.16Å; Y108-I110 WeakPolarHBondContact O-CG2 3.28Å; Y108-I110 PolarHBondContact O-N 2.67Å
109	P	63.6	Low	81.9	Confident	85 Å²	85	48.7 Å²	48.7	55%	0.552	25%	0.253	S	S	*	.			trans	-55.3	128.7	175	-32.1	40.2	0	0	0	112.6	F45	F45-P109 HydrophobicContact CB-CG 3.85Å; F45-P109 WeakPolarHBondContact O-CD 3.48Å; F45-P109 WeakPolarHBondContact O-CG 3.35Å
110	I	68.1	Low	81.5	Confident	50 Å²	50	52.7 Å²	52.7	26%	0.256	27%	0.27	S	S	.	.			trans	-136.9	151	-173.8	45.2	156.1	0	0	0	107.8	Y108 K112 I114 M171 M175	Y108-I110 WeakPolarHBondContact O-CG2 3.28Å; Y108-I110 PolarHBondContact O-N 2.67Å; I110-K112 PolarHBondContact O-N 3.4Å; I110-I114 HydrophobicContact CB-CD1 3.75Å; I110-I114 HydrophobicContact CD1-CD1 4.18Å; I110-I114 HydrophobicContact CG1-CD1 4.49Å; I110-I114 HydrophobicContact CG2-CD1 4.49Å; I110-M171 HydrophobicContact CD1-CE 3.19Å; I110-M171 HydrophobicContact CD1-CG 4.39Å; I110-M171 HydrophobicContact CD1-SD 3Å; I110-M171 WeakPolarHBondContact CD1-SD 3.4Å; I110-M171 HydrophobicContact CG1-CE 4.5Å; I110-M171 HydrophobicContact CG1-SD 4.41Å; I110-M175 HydrophobicContact CB-CE 4.17Å; I110-M175 HydrophobicContact CD1-CE 4.3Å; I110-M175 HydrophobicContact CG2-CE 3.24Å; I110-M175 HydrophobicContact CG2-SD 3.79Å
111	P	72.6	Confident	81.3	Confident	49 Å²	49	57.1 Å²	57.1	32%	0.318	29%	0.29	S	S	.	.			trans	-51.8	117.8	177.6	-24.9	27.9	0	0	0	111.1	T113 I114 W117	P111-T113 PolarHBondContact O-N 2.86Å; P111-I114 HydrophobicContact CB-CD1 4.21Å; P111-I114 HydrophobicContact CB-CG1 4.11Å; P111-I114 HydrophobicContact CG-CD1 4.24Å; P111-I114 HydrophobicContact CG-CG1 4.45Å; P111-I114 WeakPolarHBondContact O-CD1 3.47Å; P111-I114 VanDerWaalsContact O-CG1 3.29Å; P111-I114 WeakPolarHBondContact O-CG1 3.37Å; P111-I114 PolarHBondContact O-N 3.03Å; P111-W117 HydrophobicContact CB-CZ2 4.07Å; P111-W117 HydrophobicContact CG-CH2 4.4Å; P111-W117 HydrophobicContact CG-CZ2 4.24Å
112	K	74.9	Confident	80.9	Confident	194 Å²	194	57.3 Å²	57.3	84%	0.843	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-15.9	178.6	-66.2	-175.9	177.6	-176.5	0	113	I110 P115	I110-K112 PolarHBondContact O-N 3.4Å; K112-P115 WeakPolarHBondContact O-CD 3.48Å
113	T	82.8	Confident	80.4	Confident	77 Å²	77	58.6 Å²	58.6	47%	0.472	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-13.1	178.4	57	0	0	0	0	114.9	P111 P115 F116 W117	P111-T113 PolarHBondContact O-N 2.86Å; T113-P115 VanDerWaalsContact C-CD 3.41Å; T113-P115 VanDerWaalsContact C-N 3.33Å; T113-F116 WeakPolarHBondContact O-CA 3.31Å; T113-F116 WeakPolarHBondContact O-CB 3.44Å; T113-F116 PolarHBondContact O-N 3.45Å; T113-W117 PolarHBondContact O-N 3.06Å; T113-W117 PolarHBondContact O-NE1 3.11Å; T113-W117 PolarHBondContact OG1-NE1 2.82Å; T113-W117 VanDerWaalsContact OG1-NE1 3.16Å
114	I	80.4	Confident	80.1	Confident	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-52	-42.7	-175.7	-70.6	155.8	0	0	0	113.5	I110 P111 F116 W117 W170 M171 L174	I110-I114 HydrophobicContact CB-CD1 3.75Å; I110-I114 HydrophobicContact CD1-CD1 4.18Å; I110-I114 HydrophobicContact CG1-CD1 4.49Å; I110-I114 HydrophobicContact CG2-CD1 4.49Å; P111-I114 HydrophobicContact CB-CD1 4.21Å; P111-I114 HydrophobicContact CB-CG1 4.11Å; P111-I114 HydrophobicContact CG-CD1 4.24Å; P111-I114 HydrophobicContact CG-CG1 4.45Å; P111-I114 WeakPolarHBondContact O-CD1 3.47Å; P111-I114 VanDerWaalsContact O-CG1 3.29Å; P111-I114 WeakPolarHBondContact O-CG1 3.37Å; P111-I114 PolarHBondContact O-N 3.03Å; I114-F116 PolarHBondContact O-N 3.43Å; I114-W117 HydrophobicContact CB-CD2 4.31Å; I114-W117 HydrophobicContact CB-CE3 4.45Å; I114-W117 HydrophobicContact CD1-CH2 4.46Å; I114-W117 HydrophobicContact CG1-CD2 4.03Å; I114-W117 HydrophobicContact CG1-CE3 3.98Å; I114-W117 HydrophobicContact CG1-CH2 3.63Å; I114-W117 HydrophobicContact CG1-CZ2 3.68Å; I114-W117 HydrophobicContact CG1-CZ3 3.79Å; I114-W117 HydrophobicContact CG2-CE3 4.34Å; I114-W117 WeakPolarHBondContact O-CB 3.31Å; I114-W117 PolarHBondContact O-N 3.46Å; I114-W170 HydrophobicContact CG2-CB 4.11Å; I114-M171 HydrophobicContact CB-CE 3.89Å; I114-M171 HydrophobicContact CB-SD 4.02Å; I114-M171 HydrophobicContact CD1-CE 4.4Å; I114-M171 HydrophobicContact CD1-SD 3.93Å; I114-M171 HydrophobicContact CG2-CB 4.05Å; I114-M171 HydrophobicContact CG2-CE 4.04Å; I114-M171 HydrophobicContact CG2-SD 3.69Å; I114-L174 HydrophobicContact CD1-CD2 3.45Å; I114-L174 VanDerWaalsContact CD1-CD2 3.45Å; I114-L174 HydrophobicContact CG1-CD2 4.1Å
115	P	77.1	Confident	79.9	Confident	74 Å²	74	65 Å²	65	48%	0.481	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-58.7	-20.2	177	-25.8	36.1	0	0	0	114.4	K112 T113 M171	K112-P115 WeakPolarHBondContact O-CD 3.48Å; T113-P115 VanDerWaalsContact C-CD 3.41Å; T113-P115 VanDerWaalsContact C-N 3.33Å; P115-M171 HydrophobicContact CG-CE 3.83Å
116	F	83.9	Confident	79.7	Confident	175 Å²	175	64.7 Å²	64.7	77%	0.768	33%	0.326	S	S	*	.	G	3₁₀ helix	trans	-100.2	2	179.4	-48.6	-69.8	0	0	0	113.2	T113 I114	T113-F116 WeakPolarHBondContact O-CA 3.31Å; T113-F116 WeakPolarHBondContact O-CB 3.44Å; T113-F116 PolarHBondContact O-N 3.45Å; I114-F116 PolarHBondContact O-N 3.43Å
117	W	86.4	Confident	79.6	Confident	23 Å²	23	66.4 Å²	66.4	9%	0.087	33%	0.334	C	S	.	.			trans	-67.9	151.4	176.3	-67.9	-0.1	0	0	0	110	P111 T113 I114 H121 Y122 Y125 W170 L174	P111-W117 HydrophobicContact CB-CZ2 4.07Å; P111-W117 HydrophobicContact CG-CH2 4.4Å; P111-W117 HydrophobicContact CG-CZ2 4.24Å; T113-W117 PolarHBondContact O-N 3.06Å; T113-W117 PolarHBondContact O-NE1 3.11Å; T113-W117 PolarHBondContact OG1-NE1 2.82Å; T113-W117 VanDerWaalsContact OG1-NE1 3.16Å; I114-W117 HydrophobicContact CB-CD2 4.31Å; I114-W117 HydrophobicContact CB-CE3 4.45Å; I114-W117 HydrophobicContact CD1-CH2 4.46Å; I114-W117 HydrophobicContact CG1-CD2 4.03Å; I114-W117 HydrophobicContact CG1-CE3 3.98Å; I114-W117 HydrophobicContact CG1-CH2 3.63Å; I114-W117 HydrophobicContact CG1-CZ2 3.68Å; I114-W117 HydrophobicContact CG1-CZ3 3.79Å; I114-W117 HydrophobicContact CG2-CE3 4.34Å; I114-W117 WeakPolarHBondContact O-CB 3.31Å; I114-W117 PolarHBondContact O-N 3.46Å; W117-H121 HydrophobicContact CB-CB 4.24Å; W117-H121 AromaticContact CD1-CD2 3.47Å; W117-H121 VanDerWaalsContact CD1-CD2 3.47Å; W117-H121 AromaticContact CD1-NE2 3.86Å; W117-H121 AromaticContact CD2-CD2 3.4Å; W117-H121 VanDerWaalsContact CD2-CD2 3.4Å; W117-H121 AromaticContact CE2-CD2 3.4Å; W117-H121 VanDerWaalsContact CE2-CD2 3.4Å; W117-H121 AromaticContact CE2-NE2 3.57Å; W117-H121 HydrophobicContact CG-CB 4.38Å; W117-H121 AromaticContact CG-CD2 3.47Å; W117-H121 VanDerWaalsContact CG-CD2 3.47Å; W117-H121 AromaticContact CZ2-NE2 3.99Å; W117-H121 AromaticContact NE1-CD2 3.4Å; W117-H121 PolarHBondContact NE1-CD2 2.7Å; W117-H121 AromaticContact NE1-NE2 3.39Å; W117-H121 PolarHBondContact NE1-NE2 2.83Å; W117-Y122 HydrophobicContact CE3-CD2 4.16Å; W117-Y122 HydrophobicContact CZ3-CD2 4.36Å; W117-Y125 AromaticContact CH2-CD1 3.63Å; W117-Y125 HydrophobicContact CH2-CD1 3.63Å; W117-Y125 AromaticContact CH2-CD2 3.5Å; W117-Y125 HydrophobicContact CH2-CD2 3.5Å; W117-Y125 AromaticContact CH2-CE1 3.94Å; W117-Y125 HydrophobicContact CH2-CE1 3.94Å; W117-Y125 AromaticContact CH2-CE2 3.82Å; W117-Y125 HydrophobicContact CH2-CE2 3.82Å; W117-Y125 AromaticContact CH2-CG 3.4Å; W117-Y125 HydrophobicContact CH2-CG 3.4Å; W117-Y125 VanDerWaalsContact CH2-CG 3.4Å; W117-Y125 HydrophobicContact CZ2-CD2 4.18Å; W117-Y125 HydrophobicContact CZ2-CG 4.39Å; W117-Y125 AromaticContact CZ3-CD1 3.62Å; W117-Y125 HydrophobicContact CZ3-CD1 3.62Å; W117-Y125 HydrophobicContact CZ3-CD2 4.2Å; W117-Y125 HydrophobicContact CZ3-CE1 4.21Å; W117-Y125 AromaticContact CZ3-CG 3.62Å; W117-Y125 HydrophobicContact CZ3-CG 3.62Å; W117-W170 HydrophobicContact CB-CG 4.35Å; W117-W170 PolarHBondContact O-NE1 2.95Å; W117-L174 HydrophobicContact CZ3-CD2 4.31Å
118	N	84.4	Confident	79.9	Confident	95 Å²	95	74.5 Å²	74.5	51%	0.508	37%	0.369	S	S	.	.			trans	-104.4	172.8	163.5	63.6	31.9	0	0	0	109	N120 H121 Y122	N118-N120 VanDerWaalsContact C-N 3.26Å; N118-N120 PolarHBondContact O-N 3.18Å; N118-N120 PolarHBondContact OD1-N 3.14Å; N118-H121 PolarHBondContact O-N 2.84Å; N118-H121 VanDerWaalsContact O-N 3.07Å; N118-H121 PolarHBondContact OD1-N 3.2Å; N118-Y122 PolarHBondContact O-N 2.94Å
119	K	81.2	Confident	80.5	Confident	91 Å²	91	76.6 Å²	76.6	40%	0.396	38%	0.379	S	S	.	.	H	α-helix	trans	-50.9	-45.4	179.9	-172.6	172.7	-178.8	174	0	112.4	H121 Y122 Q123 W170	K119-H121 PolarHBondContact O-N 3.25Å; K119-Y122 PolarHBondContact O-N 3.32Å; K119-Q123 HydrophobicContact CG-CG 4.31Å; K119-Q123 VanDerWaalsContact O-CB 3.25Å; K119-Q123 WeakPolarHBondContact O-CB 3.34Å; K119-Q123 WeakPolarHBondContact O-CG 3.18Å; K119-Q123 PolarHBondContact O-N 3.03Å; K119-W170 VanDerWaalsContact CA-CZ2 3.47Å; K119-W170 HydrophobicContact CB-CH2 3.56Å; K119-W170 HydrophobicContact CB-CZ2 3.67Å; K119-W170 HydrophobicContact CB-CZ3 4.47Å; K119-W170 HydrophobicContact CD-CH2 4.35Å; K119-W170 HydrophobicContact CG-CH2 3.74Å; K119-W170 HydrophobicContact CG-CZ2 4.37Å; K119-W170 HydrophobicContact CG-CZ3 4.37Å
120	N	84.2	Confident	81.2	Confident	103 Å²	103	73.1 Å²	73.1	55%	0.551	36%	0.356	S	S	*	.	H	α-helix	trans	-64.8	-40.9	-179.1	-65.9	-2.6	0	0	0	112.2	N118 N124	N118-N120 VanDerWaalsContact C-N 3.26Å; N118-N120 PolarHBondContact O-N 3.18Å; N118-N120 PolarHBondContact OD1-N 3.14Å; N120-N124 WeakPolarHBondContact O-CB 3.42Å; N120-N124 PolarHBondContact O-N 3.31Å; N120-N124 PolarHBondContact O-ND2 3.18Å
121	H	87.5	Confident	81.7	Confident	94 Å²	94	78.8 Å²	78.8	44%	0.435	38%	0.379	S	S	.	.	H	α-helix	trans	-66.8	-45.7	177.9	-165	100	0	0	0	111.3	W117 N118 K119 N124 Y125	W117-H121 HydrophobicContact CB-CB 4.24Å; W117-H121 AromaticContact CD1-CD2 3.47Å; W117-H121 VanDerWaalsContact CD1-CD2 3.47Å; W117-H121 AromaticContact CD1-NE2 3.86Å; W117-H121 AromaticContact CD2-CD2 3.4Å; W117-H121 VanDerWaalsContact CD2-CD2 3.4Å; W117-H121 AromaticContact CE2-CD2 3.4Å; W117-H121 VanDerWaalsContact CE2-CD2 3.4Å; W117-H121 AromaticContact CE2-NE2 3.57Å; W117-H121 HydrophobicContact CG-CB 4.38Å; W117-H121 AromaticContact CG-CD2 3.47Å; W117-H121 VanDerWaalsContact CG-CD2 3.47Å; W117-H121 AromaticContact CZ2-NE2 3.99Å; W117-H121 AromaticContact NE1-CD2 3.4Å; W117-H121 PolarHBondContact NE1-CD2 2.7Å; W117-H121 AromaticContact NE1-NE2 3.39Å; W117-H121 PolarHBondContact NE1-NE2 2.83Å; N118-H121 PolarHBondContact O-N 2.84Å; N118-H121 VanDerWaalsContact O-N 3.07Å; N118-H121 PolarHBondContact OD1-N 3.2Å; K119-H121 PolarHBondContact O-N 3.25Å; H121-N124 PolarHBondContact O-N 2.67Å; H121-Y125 WeakPolarHBondContact O-CB 3.05Å; H121-Y125 PolarHBondContact O-N 2.8Å
122	Y	83.9	Confident	81.8	Confident	4 Å²	4	77.2 Å²	77.2	2%	0.016	37%	0.367	C	S	.	.	H	α-helix	trans	-57.6	-49.5	174.6	174.9	-104.6	0	0	0	111.2	W117 N118 K119 N124 Y125 I126 I145 F146 W170 N173 L174	W117-Y122 HydrophobicContact CE3-CD2 4.16Å; W117-Y122 HydrophobicContact CZ3-CD2 4.36Å; N118-Y122 PolarHBondContact O-N 2.94Å; K119-Y122 PolarHBondContact O-N 3.32Å; Y122-N124 PolarHBondContact O-N 3.45Å; Y122-Y125 WeakPolarHBondContact O-CB 3.38Å; Y122-Y125 PolarHBondContact O-N 3.19Å; Y122-I126 HydrophobicContact CD2-CG1 4.41Å; Y122-I126 HydrophobicContact CE1-CG1 4.2Å; Y122-I126 HydrophobicContact CE2-CD1 4.15Å; Y122-I126 HydrophobicContact CE2-CG1 3.99Å; Y122-I126 WeakPolarHBondContact O-CG1 3.44Å; Y122-I126 PolarHBondContact O-N 2.97Å; Y122-I145 HydrophobicContact CE1-CG2 4.38Å; Y122-F146 HydrophobicContact CD1-CE1 4.12Å; Y122-F146 HydrophobicContact CE1-CE1 4.03Å; Y122-W170 HydrophobicContact CD1-CD2 4.47Å; Y122-W170 AromaticContact CD1-CE3 3.47Å; Y122-W170 HydrophobicContact CD1-CE3 3.47Å; Y122-W170 VanDerWaalsContact CD1-CE3 3.47Å; Y122-W170 AromaticContact CD1-CZ3 3.76Å; Y122-W170 HydrophobicContact CD1-CZ3 3.76Å; Y122-W170 HydrophobicContact CD2-CB 4.07Å; Y122-W170 HydrophobicContact CD2-CE3 4.11Å; Y122-W170 HydrophobicContact CE1-CE3 4.08Å; Y122-W170 HydrophobicContact CE1-CZ3 4.33Å; Y122-W170 HydrophobicContact CG-CB 4.42Å; Y122-W170 HydrophobicContact CG-CD2 4.1Å; Y122-W170 AromaticContact CG-CE3 3.49Å; Y122-W170 HydrophobicContact CG-CE3 3.49Å; Y122-W170 VanDerWaalsContact CG-CE3 3.49Å; Y122-W170 HydrophobicContact CG-CG 4.47Å; Y122-W170 HydrophobicContact CG-CZ3 4.2Å; Y122-N173 HydrophobicContact CE1-CB 4.46Å; Y122-N173 HydrophobicContact CE2-CB 4.3Å; Y122-N173 PolarHBondContact OH-O 2.8Å; Y122-L174 HydrophobicContact CE2-CB 3.9Å; Y122-L174 HydrophobicContact CE2-CD1 4.32Å
123	Q	80	Confident	81.5	Confident	27 Å²	27	74.6 Å²	74.6	13%	0.126	36%	0.363	C	S	.	.	H	α-helix	trans	-53.9	-54.7	176	-79.1	-176.9	-26.2	0	0	112.3	K119 Y125 I126 I127 Y142 F146	K119-Q123 HydrophobicContact CG-CG 4.31Å; K119-Q123 VanDerWaalsContact O-CB 3.25Å; K119-Q123 WeakPolarHBondContact O-CB 3.34Å; K119-Q123 WeakPolarHBondContact O-CG 3.18Å; K119-Q123 PolarHBondContact O-N 3.03Å; Q123-Y125 VanDerWaalsContact C-N 3.27Å; Q123-Y125 PolarHBondContact O-N 3.32Å; Q123-I126 PolarHBondContact O-N 3.04Å; Q123-I127 WeakPolarHBondContact O-CB 3.16Å; Q123-I127 VanDerWaalsContact O-CG1 3.24Å; Q123-I127 WeakPolarHBondContact O-CG1 3.45Å; Q123-I127 PolarHBondContact O-N 3.28Å; Q123-Y142 PolarHBondContact NE2-OH 2.94Å; Q123-F146 HydrophobicContact CB-CZ 4.35Å; Q123-F146 HydrophobicContact CG-CD1 4.41Å; Q123-F146 HydrophobicContact CG-CE1 3.36Å; Q123-F146 HydrophobicContact CG-CE2 4.19Å; Q123-F146 HydrophobicContact CG-CZ 3.31Å
124	N	83.3	Confident	80.5	Confident	104 Å²	104	77.9 Å²	77.9	56%	0.556	38%	0.377	S	S	*	.	H	α-helix	trans	-61.9	-36.8	-179.5	-72.5	-23.3	0	0	0	112	N120 H121 Y122 K128	N120-N124 WeakPolarHBondContact O-CB 3.42Å; N120-N124 PolarHBondContact O-N 3.31Å; N120-N124 PolarHBondContact O-ND2 3.18Å; H121-N124 PolarHBondContact O-N 2.67Å; Y122-N124 PolarHBondContact O-N 3.45Å; N124-K128 WeakPolarHBondContact O-CB 3.34Å; N124-K128 PolarHBondContact O-N 2.78Å
125	Y	86.1	Confident	79.8	Confident	51 Å²	51	79.7 Å²	79.7	20%	0.2	39%	0.386	C	S	.	.	H	α-helix	trans	-62.4	-50.1	175.8	178.7	-94.3	0	0	0	111.6	W117 H121 Y122 Q123 K128 K129 L174	W117-Y125 AromaticContact CH2-CD1 3.63Å; W117-Y125 HydrophobicContact CH2-CD1 3.63Å; W117-Y125 AromaticContact CH2-CD2 3.5Å; W117-Y125 HydrophobicContact CH2-CD2 3.5Å; W117-Y125 AromaticContact CH2-CE1 3.94Å; W117-Y125 HydrophobicContact CH2-CE1 3.94Å; W117-Y125 AromaticContact CH2-CE2 3.82Å; W117-Y125 HydrophobicContact CH2-CE2 3.82Å; W117-Y125 AromaticContact CH2-CG 3.4Å; W117-Y125 HydrophobicContact CH2-CG 3.4Å; W117-Y125 VanDerWaalsContact CH2-CG 3.4Å; W117-Y125 HydrophobicContact CZ2-CD2 4.18Å; W117-Y125 HydrophobicContact CZ2-CG 4.39Å; W117-Y125 AromaticContact CZ3-CD1 3.62Å; W117-Y125 HydrophobicContact CZ3-CD1 3.62Å; W117-Y125 HydrophobicContact CZ3-CD2 4.2Å; W117-Y125 HydrophobicContact CZ3-CE1 4.21Å; W117-Y125 AromaticContact CZ3-CG 3.62Å; W117-Y125 HydrophobicContact CZ3-CG 3.62Å; H121-Y125 WeakPolarHBondContact O-CB 3.05Å; H121-Y125 PolarHBondContact O-N 2.8Å; Y122-Y125 WeakPolarHBondContact O-CB 3.38Å; Y122-Y125 PolarHBondContact O-N 3.19Å; Q123-Y125 VanDerWaalsContact C-N 3.27Å; Q123-Y125 PolarHBondContact O-N 3.32Å; Y125-K128 PolarHBondContact O-N 2.77Å; Y125-K129 HydrophobicContact CD1-CG 4.4Å; Y125-K129 HydrophobicContact CE1-CG 3.96Å; Y125-K129 HydrophobicContact CE2-CG 4.13Å; Y125-K129 WeakPolarHBondContact O-CB 3.24Å; Y125-K129 WeakPolarHBondContact O-CG 3.22Å; Y125-K129 PolarHBondContact O-N 2.04Å; Y125-K129 WeakPolarHBondContact OH-CE 3.33Å; Y125-L174 HydrophobicContact CD1-CD1 4.24Å; Y125-L174 HydrophobicContact CE1-CD1 3.88Å; Y125-L174 HydrophobicContact CE1-CD2 4.17Å
126	I	83.1	Confident	79	Confident	1 Å²	1	79.5 Å²	79.5	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-61.2	-49.7	178.3	-65	-52.1	0	0	0	111.3	Y122 Q123 K128 K129 L130 I145 L174 L177 F335	Y122-I126 HydrophobicContact CD2-CG1 4.41Å; Y122-I126 HydrophobicContact CE1-CG1 4.2Å; Y122-I126 HydrophobicContact CE2-CD1 4.15Å; Y122-I126 HydrophobicContact CE2-CG1 3.99Å; Y122-I126 WeakPolarHBondContact O-CG1 3.44Å; Y122-I126 PolarHBondContact O-N 2.97Å; Q123-I126 PolarHBondContact O-N 3.04Å; I126-K128 VanDerWaalsContact C-N 3.33Å; I126-K128 PolarHBondContact O-N 3.24Å; I126-K129 PolarHBondContact O-N 3.04Å; I126-L130 HydrophobicContact CG2-CD1 3.68Å; I126-L130 HydrophobicContact CG2-CG 4.29Å; I126-L130 WeakPolarHBondContact O-CB 3.25Å; I126-L130 WeakPolarHBondContact O-CG 3.25Å; I126-L130 PolarHBondContact O-N 3.1Å; I126-I145 HydrophobicContact CG2-CD1 4.18Å; I126-I145 HydrophobicContact CG2-CG2 4.18Å; I126-L174 HydrophobicContact CD1-CD1 3.43Å; I126-L174 VanDerWaalsContact CD1-CD1 3.43Å; I126-L177 HydrophobicContact CD1-CD2 3.38Å; I126-L177 HydrophobicContact CG1-CD2 3.97Å; I126-L177 HydrophobicContact CG2-CD2 3.82Å; I126-F335 HydrophobicContact CD1-CE1 4.21Å; I126-F335 HydrophobicContact CD1-CZ 4.28Å
127	I	80.9	Confident	77.8	Confident	49 Å²	49	76.9 Å²	76.9	25%	0.251	38%	0.378	S	S	.	.	H	α-helix	trans	-56.5	-48.6	179.6	-70.7	172.2	0	0	0	110.7	Q123 L130 K131 I132 I135	Q123-I127 WeakPolarHBondContact O-CB 3.16Å; Q123-I127 VanDerWaalsContact O-CG1 3.24Å; Q123-I127 WeakPolarHBondContact O-CG1 3.45Å; Q123-I127 PolarHBondContact O-N 3.28Å; I127-L130 PolarHBondContact O-N 2.92Å; I127-K131 WeakPolarHBondContact O-CA 3.43Å; I127-K131 PolarHBondContact O-N 3.34Å; I127-I132 VanDerWaalsContact CG2-O 3.3Å; I127-I132 WeakPolarHBondContact CG2-O 3.4Å; I127-I132 PolarHBondContact O-N 2.99Å; I127-I135 HydrophobicContact CD1-CB 4.26Å; I127-I135 HydrophobicContact CD1-CD1 3.99Å; I127-I135 HydrophobicContact CD1-CG1 4.26Å; I127-I135 HydrophobicContact CG1-CD1 3.57Å; I127-I135 HydrophobicContact CG1-CG1 4.19Å
128	K	83.1	Confident	76.6	Confident	176 Å²	176	82.8 Å²	82.8	77%	0.765	41%	0.411	S	S	*	.	H	α-helix	trans	-64.2	-42.2	179.8	-175.6	178	-179.1	179.1	0	111.9	N124 Y125 I126 K131	N124-K128 WeakPolarHBondContact O-CB 3.34Å; N124-K128 PolarHBondContact O-N 2.78Å; Y125-K128 PolarHBondContact O-N 2.77Å; I126-K128 VanDerWaalsContact C-N 3.33Å; I126-K128 PolarHBondContact O-N 3.24Å; K128-K131 PolarHBondContact O-N 3.4Å
129	K	82.4	Confident	75.6	Confident	87 Å²	87	80.1 Å²	80.1	38%	0.378	40%	0.397	S	S	.	.	H	α-helix	trans	-66.6	-43.9	179.2	-84.6	-71.9	-173	162.8	0	112.2	Y125 I126 K131 F335	Y125-K129 HydrophobicContact CD1-CG 4.4Å; Y125-K129 HydrophobicContact CE1-CG 3.96Å; Y125-K129 HydrophobicContact CE2-CG 4.13Å; Y125-K129 WeakPolarHBondContact O-CB 3.24Å; Y125-K129 WeakPolarHBondContact O-CG 3.22Å; Y125-K129 PolarHBondContact O-N 2.04Å; Y125-K129 WeakPolarHBondContact OH-CE 3.33Å; I126-K129 PolarHBondContact O-N 3.04Å; K129-K131 VanDerWaalsContact C-N 3.28Å; K129-K131 PolarHBondContact O-N 2.94Å; K129-F335 HydrophobicContact CB-CD1 4.41Å; K129-F335 HydrophobicContact CB-CE1 4.03Å
130	L	79	Confident	74.8	Confident	12 Å²	12	82.4 Å²	82.4	6%	0.063	41%	0.409	C	S	.	.	H	α-helix	trans	-81.3	-7	-179.9	-63	-178.9	0	0	0	113.4	I126 I127 I132 F319 W320 L323 F335	I126-L130 HydrophobicContact CG2-CD1 3.68Å; I126-L130 HydrophobicContact CG2-CG 4.29Å; I126-L130 WeakPolarHBondContact O-CB 3.25Å; I126-L130 WeakPolarHBondContact O-CG 3.25Å; I126-L130 PolarHBondContact O-N 3.1Å; I127-L130 PolarHBondContact O-N 2.92Å; L130-I132 HydrophobicContact CB-CD1 3.68Å; L130-I132 HydrophobicContact CB-CG1 3.66Å; L130-I132 HydrophobicContact CD1-CD1 3.78Å; L130-I132 HydrophobicContact CG-CD1 4.4Å; L130-I132 PolarHBondContact O-N 3.21Å; L130-F319 HydrophobicContact CD1-CE1 4.21Å; L130-F319 HydrophobicContact CD1-CZ 3.84Å; L130-W320 HydrophobicContact CD1-CH2 4.4Å; L130-W320 HydrophobicContact CD2-CH2 3.99Å; L130-W320 HydrophobicContact CD2-CZ3 4.12Å; L130-L323 HydrophobicContact CB-CD2 4.35Å; L130-L323 HydrophobicContact CD1-CD2 4.13Å; L130-L323 HydrophobicContact CD2-CD2 4.18Å; L130-L323 HydrophobicContact CG-CD2 4.47Å; L130-F335 HydrophobicContact CD1-CZ 4.37Å; L130-F335 HydrophobicContact CD2-CE1 4.32Å; L130-F335 HydrophobicContact CD2-CE2 3.98Å; L130-F335 HydrophobicContact CD2-CZ 3.71Å; L130-F335 HydrophobicContact CG-CZ 4.08Å
131	K	79.2	Confident	73.9	Confident	169 Å²	169	80.4 Å²	80.4	74%	0.735	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	37.5	-176	-57.1	-177.3	178.9	-177.1	0	112.5	I127 K128 K129 N133	I127-K131 WeakPolarHBondContact O-CA 3.43Å; I127-K131 PolarHBondContact O-N 3.34Å; K128-K131 PolarHBondContact O-N 3.4Å; K129-K131 VanDerWaalsContact C-N 3.28Å; K129-K131 PolarHBondContact O-N 2.94Å; K131-N133 PolarHBondContact O-N 3.25Å
132	I	73.9	Confident	72.7	Confident	15 Å²	15	78.3 Å²	78.3	8%	0.077	38%	0.383	C	S	.	.			trans	-81.2	116.2	178.6	-56.2	168	0	0	0	107.6	I127 L130 I135 F319 L323	I127-I132 VanDerWaalsContact CG2-O 3.3Å; I127-I132 WeakPolarHBondContact CG2-O 3.4Å; I127-I132 PolarHBondContact O-N 2.99Å; L130-I132 HydrophobicContact CB-CD1 3.68Å; L130-I132 HydrophobicContact CB-CG1 3.66Å; L130-I132 HydrophobicContact CD1-CD1 3.78Å; L130-I132 HydrophobicContact CG-CD1 4.4Å; L130-I132 PolarHBondContact O-N 3.21Å; I132-I135 HydrophobicContact CB-CD1 3.96Å; I132-I135 HydrophobicContact CB-CG1 4.06Å; I132-I135 HydrophobicContact CD1-CD1 3.97Å; I132-I135 HydrophobicContact CG2-CD1 3.64Å; I132-I135 HydrophobicContact CG2-CG1 3.38Å; I132-F319 HydrophobicContact CD1-CZ 4.25Å; I132-L323 HydrophobicContact CD1-CD1 4.42Å; I132-L323 HydrophobicContact CG1-CD1 4.05Å
133	N	68.1	Low	71.7	Confident	139 Å²	139	84.4 Å²	84.4	74%	0.743	41%	0.411	S	S	*	.			trans	-87.4	139.5	175.3	-65.8	-20.9	0	0	0	109.6	K131	K131-N133 PolarHBondContact O-N 3.25Å
134	N	61.9	Low	70.9	Confident	146 Å²	146	84.8 Å²	84.8	78%	0.781	41%	0.412	S	S	*	.			trans	62.2	49.9	171.1	-57.4	-19.8	0	0	0	116.4	T136 D139	N134-T136 PolarHBondContact O-N 3.15Å; N134-D139 VanDerWaalsContact O-OD2 3.08Å
135	I	66.1	Low	70	Confident	38 Å²	38	80.3 Å²	80.3	20%	0.195	39%	0.387	C	S	.	.			trans	-67.2	116.7	171.7	-57.3	-163.5	0	0	0	110.9	I127 I132 D139 Y142 I145	I127-I135 HydrophobicContact CD1-CB 4.26Å; I127-I135 HydrophobicContact CD1-CD1 3.99Å; I127-I135 HydrophobicContact CD1-CG1 4.26Å; I127-I135 HydrophobicContact CG1-CD1 3.57Å; I127-I135 HydrophobicContact CG1-CG1 4.19Å; I132-I135 HydrophobicContact CB-CD1 3.96Å; I132-I135 HydrophobicContact CB-CG1 4.06Å; I132-I135 HydrophobicContact CD1-CD1 3.97Å; I132-I135 HydrophobicContact CG2-CD1 3.64Å; I132-I135 HydrophobicContact CG2-CG1 3.38Å; I135-D139 WeakPolarHBondContact CA-OD2 3.19Å; I135-D139 HydrophobicContact CG2-CB 4.38Å; I135-Y142 HydrophobicContact CG2-CD2 3.97Å; I135-I145 HydrophobicContact CD1-CD1 4.21Å
136	T	60.7	Low	68.8	Low	70 Å²	70	80.2 Å²	80.2	43%	0.429	39%	0.388	S	S	.	.			trans	-100	160	167.8	80.5	0	0	0	0	111.7	N134 N138 D139 Y142	N134-T136 PolarHBondContact O-N 3.15Å; T136-N138 PolarHBondContact O-N 2.86Å; T136-N138 VanDerWaalsContact O-N 3.11Å; T136-N138 PolarHBondContact OG1-N 2.92Å; T136-D139 PolarHBondContact N-OD2 3.41Å; T136-D139 VanDerWaalsContact O-CB 3.3Å; T136-D139 WeakPolarHBondContact O-CB 3.2Å; T136-D139 PolarHBondContact O-N 3.29Å; T136-D139 PolarHBondContact OG1-N 3.28Å; T136-D139 PolarHBondContact OG1-OD1 3.36Å; T136-Y142 WeakPolarHBondContact O-CB 3.27Å
137	L	59.1	Low	67.7	Low	121 Å²	121	83 Å²	83	63%	0.634	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.3	173.5	-81.2	160.5	0	0	0	113.1	Y142	L137-Y142 HydrophobicContact CD2-CD1 4.09Å; L137-Y142 HydrophobicContact CD2-CD2 4.49Å; L137-Y142 HydrophobicContact CD2-CE1 3.45Å; L137-Y142 VanDerWaalsContact CD2-CE1 3.45Å; L137-Y142 HydrophobicContact CD2-CE2 3.9Å; L137-Y142 WeakPolarHBondContact CD2-OH 3.34Å
138	N	59.6	Low	66.5	Low	146 Å²	146	82.8 Å²	82.8	78%	0.781	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-4.9	179.6	-66.7	-16.1	0	0	0	112.6	T136 Q140	T136-N138 PolarHBondContact O-N 2.86Å; T136-N138 VanDerWaalsContact O-N 3.11Å; T136-N138 PolarHBondContact OG1-N 2.92Å; N138-Q140 PolarHBondContact O-N 3.07Å
139	D	64.3	Low	65.2	Low	40 Å²	40	78.4 Å²	78.4	21%	0.214	39%	0.392	C	S	.	.	S	Bend	trans	-70.1	135.7	179.2	-70	0.9	0	0	0	109.5	N134 I135 T136 Y141 Y142	N134-D139 VanDerWaalsContact O-OD2 3.08Å; I135-D139 WeakPolarHBondContact CA-OD2 3.19Å; I135-D139 HydrophobicContact CG2-CB 4.38Å; T136-D139 PolarHBondContact N-OD2 3.41Å; T136-D139 VanDerWaalsContact O-CB 3.3Å; T136-D139 WeakPolarHBondContact O-CB 3.2Å; T136-D139 PolarHBondContact O-N 3.29Å; T136-D139 PolarHBondContact OG1-N 3.28Å; T136-D139 PolarHBondContact OG1-OD1 3.36Å; D139-Y141 HydrophobicContact CB-CD2 4.2Å; D139-Y141 PolarHBondContact O-N 3.04Å; D139-Y142 VanDerWaalsContact O-CB 3.3Å; D139-Y142 WeakPolarHBondContact O-CB 3.08Å; D139-Y142 PolarHBondContact O-N 3.22Å
140	Q	64.1	Low	64	Low	139 Å²	139	75.4 Å²	75.4	65%	0.65	38%	0.38	S	S	*	.	H	α-helix	trans	-54.2	-30.6	175.2	-65.8	176.5	-24.3	0	0	111.4	N138 Y144	N138-Q140 PolarHBondContact O-N 3.07Å; Q140-Y144 PolarHBondContact O-N 3.29Å
141	Y	65.5	Low	62.8	Low	61 Å²	61	78.4 Å²	78.4	24%	0.239	40%	0.396	C	S	.	.	H	α-helix	trans	-62.5	-39.4	173.2	-54.3	-54.9	0	0	0	113.4	D139 Y144 I145 F319 L322	D139-Y141 HydrophobicContact CB-CD2 4.2Å; D139-Y141 PolarHBondContact O-N 3.04Å; Y141-Y144 PolarHBondContact O-N 2.86Å; Y141-I145 WeakPolarHBondContact O-CD1 3.49Å; Y141-I145 WeakPolarHBondContact O-CG1 3.35Å; Y141-I145 PolarHBondContact O-N 2.82Å; Y141-F319 AromaticContact CD1-CD2 3.56Å; Y141-F319 HydrophobicContact CD1-CD2 3.56Å; Y141-F319 AromaticContact CD1-CE2 3.48Å; Y141-F319 HydrophobicContact CD1-CE2 3.48Å; Y141-F319 VanDerWaalsContact CD1-CE2 3.48Å; Y141-F319 HydrophobicContact CE1-CD2 4.44Å; Y141-F319 HydrophobicContact CE1-CE2 4.44Å; Y141-F319 HydrophobicContact CG-CD2 4.39Å; Y141-F319 HydrophobicContact CG-CE2 4.07Å; Y141-L322 HydrophobicContact CE1-CB 3.92Å; Y141-L322 HydrophobicContact CE1-CD1 4.48Å
142	Y	62.3	Low	61.3	Low	50 Å²	50	70.5 Å²	70.5	20%	0.196	36%	0.362	C	S	.	.	H	α-helix	trans	-64.6	-45.6	-177.1	-171.4	-84.2	0	0	0	110.5	Q123 I135 T136 L137 D139 Y144 F146	Q123-Y142 PolarHBondContact NE2-OH 2.94Å; I135-Y142 HydrophobicContact CG2-CD2 3.97Å; T136-Y142 WeakPolarHBondContact O-CB 3.27Å; L137-Y142 HydrophobicContact CD2-CD1 4.09Å; L137-Y142 HydrophobicContact CD2-CD2 4.49Å; L137-Y142 HydrophobicContact CD2-CE1 3.45Å; L137-Y142 VanDerWaalsContact CD2-CE1 3.45Å; L137-Y142 HydrophobicContact CD2-CE2 3.9Å; L137-Y142 WeakPolarHBondContact CD2-OH 3.34Å; D139-Y142 VanDerWaalsContact O-CB 3.3Å; D139-Y142 WeakPolarHBondContact O-CB 3.08Å; D139-Y142 PolarHBondContact O-N 3.22Å; Y142-Y144 PolarHBondContact O-N 3.11Å; Y142-F146 AromaticContact CD1-CD2 3.76Å; Y142-F146 HydrophobicContact CD1-CD2 3.76Å; Y142-F146 HydrophobicContact CD1-CE2 4.41Å; Y142-F146 AromaticContact CD2-CD2 3.68Å; Y142-F146 HydrophobicContact CD2-CD2 3.68Å; Y142-F146 AromaticContact CD2-CE2 3.49Å; Y142-F146 HydrophobicContact CD2-CE2 3.49Å; Y142-F146 VanDerWaalsContact CD2-CE2 3.49Å; Y142-F146 AromaticContact CE1-CD2 3.67Å; Y142-F146 HydrophobicContact CE1-CD2 3.67Å; Y142-F146 HydrophobicContact CE1-CE2 4.44Å; Y142-F146 HydrophobicContact CE1-CG 4.49Å; Y142-F146 AromaticContact CE2-CD2 3.6Å; Y142-F146 HydrophobicContact CE2-CD2 3.6Å; Y142-F146 AromaticContact CE2-CE2 3.53Å; Y142-F146 HydrophobicContact CE2-CE2 3.53Å; Y142-F146 AromaticContact CG-CD2 3.74Å; Y142-F146 HydrophobicContact CG-CD2 3.74Å; Y142-F146 AromaticContact CG-CE2 3.94Å; Y142-F146 HydrophobicContact CG-CE2 3.94Å; Y142-F146 AromaticContact CZ-CD2 3.59Å; Y142-F146 WeakPolarHBondContact O-CD2 2.96Å; Y142-F146 PolarHBondContact O-N 3.49Å
143	Q	63.7	Low	60.4	Low	131 Å²	131	71.4 Å²	71.4	61%	0.612	37%	0.368	S	S	*	.	H	α-helix	trans	-58.6	-50.3	178.3	-68.1	-174.6	-9.4	0	0	110.5	I145 F146 S147	Q143-I145 PolarHBondContact O-N 2.82Å; Q143-F146 CarbonylContact O-C 3.6Å; Q143-F146 PolarHBondContact O-N 3.44Å; Q143-S147 WeakPolarHBondContact O-CA 3.12Å; Q143-S147 WeakPolarHBondContact O-CB 3.25Å; Q143-S147 PolarHBondContact O-N 3.27Å; Q143-S147 PolarHBondContact O-OG 3.49Å
144	Y	63.5	Low	59.9	Low	36 Å²	36	66.4 Å²	66.4	14%	0.141	34%	0.34	C	S	.	.	H	α-helix	trans	-62.4	-47	-178.6	-174.9	-104.6	0	0	0	114.5	Q140 Y141 Y142 F146 L177 D180 R316 F319	Q140-Y144 PolarHBondContact O-N 3.29Å; Y141-Y144 PolarHBondContact O-N 2.86Å; Y142-Y144 PolarHBondContact O-N 3.11Å; Y144-F146 PolarHBondContact O-N 2.78Å; Y144-F146 VanDerWaalsContact O-N 3.11Å; Y144-L177 HydrophobicContact CE1-CD1 4.25Å; Y144-D180 PolarHBondContact OH-OD2 3.19Å; Y144-R316 HydrophobicContact CE2-CB 4.15Å; Y144-R316 HydrophobicContact CE2-CG 4.07Å; Y144-R316 WeakPolarHBondContact OH-CA 3.49Å; Y144-R316 WeakPolarHBondContact OH-CB 3.09Å; Y144-R316 WeakPolarHBondContact OH-CG 3.43Å; Y144-R316 PolarHBondContact OH-O 3.2Å; Y144-F319 HydrophobicContact CD1-CB 3.23Å; Y144-F319 AromaticContact CD1-CD1 3.67Å; Y144-F319 HydrophobicContact CD1-CD1 3.67Å; Y144-F319 AromaticContact CD1-CD2 3.77Å; Y144-F319 HydrophobicContact CD1-CD2 3.77Å; Y144-F319 HydrophobicContact CD1-CE1 4.49Å; Y144-F319 AromaticContact CD1-CG 3.26Å; Y144-F319 HydrophobicContact CD1-CG 3.26Å; Y144-F319 HydrophobicContact CD2-CB 4.31Å; Y144-F319 HydrophobicContact CE1-CB 3.74Å; Y144-F319 AromaticContact CE1-CD1 3.86Å; Y144-F319 HydrophobicContact CE1-CD1 3.86Å; Y144-F319 AromaticContact CE1-CG 3.87Å; Y144-F319 HydrophobicContact CE1-CG 3.87Å; Y144-F319 HydrophobicContact CG-CB 3.54Å; Y144-F319 HydrophobicContact CG-CD2 4.29Å; Y144-F319 AromaticContact CG-CG 3.97Å; Y144-F319 HydrophobicContact CG-CG 3.97Å
145	I	63.5	Low	59.6	Low	9 Å²	9	63.6 Å²	63.6	5%	0.046	32%	0.324	C	S	.	.	H	α-helix	trans	-63.1	-22.6	-178.2	-60.2	164	0	0	0	111	Y122 I126 I135 Y141 Q143 F319	Y122-I145 HydrophobicContact CE1-CG2 4.38Å; I126-I145 HydrophobicContact CG2-CD1 4.18Å; I126-I145 HydrophobicContact CG2-CG2 4.18Å; I135-I145 HydrophobicContact CD1-CD1 4.21Å; Y141-I145 WeakPolarHBondContact O-CD1 3.49Å; Y141-I145 WeakPolarHBondContact O-CG1 3.35Å; Y141-I145 PolarHBondContact O-N 2.82Å; Q143-I145 PolarHBondContact O-N 2.82Å; I145-F319 HydrophobicContact CD1-CE2 3.92Å; I145-F319 HydrophobicContact CD1-CZ 4.12Å; I145-F319 HydrophobicContact CG1-CE2 3.91Å; I145-F319 HydrophobicContact CG1-CZ 4.1Å
146	F	61.1	Low	59.1	Low	50 Å²	50	68.4 Å²	68.4	22%	0.219	35%	0.351	C	S	.	.	H	α-helix	trans	-122.3	5.9	-173.5	-51.1	-58.4	0	0	0	115.3	Y122 Q123 Y142 Q143 Y144	Y122-F146 HydrophobicContact CD1-CE1 4.12Å; Y122-F146 HydrophobicContact CE1-CE1 4.03Å; Q123-F146 HydrophobicContact CB-CZ 4.35Å; Q123-F146 HydrophobicContact CG-CD1 4.41Å; Q123-F146 HydrophobicContact CG-CE1 3.36Å; Q123-F146 HydrophobicContact CG-CE2 4.19Å; Q123-F146 HydrophobicContact CG-CZ 3.31Å; Y142-F146 AromaticContact CD1-CD2 3.76Å; Y142-F146 HydrophobicContact CD1-CD2 3.76Å; Y142-F146 HydrophobicContact CD1-CE2 4.41Å; Y142-F146 AromaticContact CD2-CD2 3.68Å; Y142-F146 HydrophobicContact CD2-CD2 3.68Å; Y142-F146 AromaticContact CD2-CE2 3.49Å; Y142-F146 HydrophobicContact CD2-CE2 3.49Å; Y142-F146 VanDerWaalsContact CD2-CE2 3.49Å; Y142-F146 AromaticContact CE1-CD2 3.67Å; Y142-F146 HydrophobicContact CE1-CD2 3.67Å; Y142-F146 HydrophobicContact CE1-CE2 4.44Å; Y142-F146 HydrophobicContact CE1-CG 4.49Å; Y142-F146 AromaticContact CE2-CD2 3.6Å; Y142-F146 HydrophobicContact CE2-CD2 3.6Å; Y142-F146 AromaticContact CE2-CE2 3.53Å; Y142-F146 HydrophobicContact CE2-CE2 3.53Å; Y142-F146 AromaticContact CG-CD2 3.74Å; Y142-F146 HydrophobicContact CG-CD2 3.74Å; Y142-F146 AromaticContact CG-CE2 3.94Å; Y142-F146 HydrophobicContact CG-CE2 3.94Å; Y142-F146 AromaticContact CZ-CD2 3.59Å; Y142-F146 WeakPolarHBondContact O-CD2 2.96Å; Y142-F146 PolarHBondContact O-N 3.49Å; Q143-F146 CarbonylContact O-C 3.6Å; Q143-F146 PolarHBondContact O-N 3.44Å; Y144-F146 PolarHBondContact O-N 2.78Å; Y144-F146 VanDerWaalsContact O-N 3.11Å
147	S	59.8	Low	58.8	Low	58 Å²	58	67.8 Å²	67.8	41%	0.406	36%	0.358	S	S	.	.			trans	-114.1	106.6	176.6	71.2	0	0	0	0	111	Q143	Q143-S147 WeakPolarHBondContact O-CA 3.12Å; Q143-S147 WeakPolarHBondContact O-CB 3.25Å; Q143-S147 PolarHBondContact O-N 3.27Å; Q143-S147 PolarHBondContact O-OG 3.49Å
148	N	56	Low	58.7	Low	45 Å²	45	67.5 Å²	67.5	24%	0.241	36%	0.357	C	S	.	.			trans	-102.3	52.8	177.9	-73.7	-8.3	0	0	0	112.1	I164 N173	N148-I164 PolarHBondContact O-N 2.87Å; N148-N173 PolarHBondContact ND2-OD1 2.92Å
149	N	55.5	Low	58.4	Low	85 Å²	85	66 Å²	66	46%	0.455	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	115.7	176.2	-68.5	-13.8	0	0	0	108.9
150	L	56.4	Low	58	Low	23 Å²	23	69.2 Å²	69.2	12%	0.12	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	116.3	167.5	-52.4	-175.4	0	0	0	106.7	K162 I164 Y309 I312	L150-K162 PolarHBondContact O-N 3.49Å; L150-I164 HydrophobicContact CD1-CD1 3.51Å; L150-I164 HydrophobicContact CG-CD1 4.1Å; L150-Y309 VanDerWaalsContact C-OH 3.3Å; L150-Y309 HydrophobicContact CB-CE1 3.54Å; L150-Y309 WeakPolarHBondContact CB-OH 3.1Å; L150-Y309 PolarHBondContact O-OH 3.35Å; L150-I312 HydrophobicContact CB-CD1 4.22Å; L150-I312 HydrophobicContact CD1-CD1 4.36Å; L150-I312 HydrophobicContact CD2-CD1 3.32Å; L150-I312 HydrophobicContact CD2-CG1 4.05Å; L150-I312 HydrophobicContact CG-CD1 4.14Å
151	N	53.6	Low	57.4	Low	76 Å²	76	67.6 Å²	67.6	41%	0.406	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	108.9	175.2	-65.5	-20.5	0	0	0	110	N161 Y309	N151-N161 PolarHBondContact OD1-OD1 2.97Å; N151-N161 VanDerWaalsContact OD1-OD1 3.12Å; N151-Y309 VanDerWaalsContact O-CD1 3.25Å; N151-Y309 WeakPolarHBondContact O-CD1 3.35Å; N151-Y309 WeakPolarHBondContact O-CE1 3.46Å
152	C	48.8	Very low	56.7	Low	3 Å²	3	68.5 Å²	68.5	2%	0.02	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	129.5	171	167.1	0	0	0	0	109	H154 I159 E160 C307 Y309	C152-H154 PolarHBondContact SG-N 3.25Å; C152-I159 WeakPolarHBondContact O-CA 3.04Å; C152-E160 PolarHBondContact N-O 2.94Å; C152-E160 PolarHBondContact O-N 2.9Å; C152-C307 HydrophobicContact CB-CB 4.09Å; C152-C307 WeakPolarHBondContact CB-SG 3.39Å; C152-C307 WeakPolarHBondContact SG-CB 3.44Å; C152-C307 CovalentContact SG-SG 2.05Å; C152-C307 PolarHBondContact SG-SG 3.12Å; C152-Y309 VanDerWaalsContact CA-CZ 3.48Å; C152-Y309 HydrophobicContact CB-CD2 4.34Å; C152-Y309 HydrophobicContact CB-CE2 3.4Å; C152-Y309 VanDerWaalsContact CB-CE2 3.4Å; C152-Y309 VanDerWaalsContact N-CZ 3.29Å; C152-Y309 PolarHBondContact N-OH 3.16Å
153	T	55.5	Low	56.1	Low	34 Å²	34	70.6 Å²	70.6	21%	0.209	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	108.6	157.7	54.8	0	0	0	0	108.5	I159 K308	T153-I159 HydrophobicContact CG2-CB 4.4Å; T153-I159 HydrophobicContact CG2-CD1 4.17Å; T153-I159 HydrophobicContact CG2-CG1 3.82Å; T153-I159 HydrophobicContact CG2-CG2 4.24Å; T153-K308 PolarHBondContact N-O 3.04Å; T153-K308 VanDerWaalsContact N-O 3.15Å; T153-K308 PolarHBondContact O-N 2.77Å; T153-K308 VanDerWaalsContact O-O 3.07Å; T153-K308 PolarHBondContact OG1-O 2.73Å
154	H	57.7	Low	55.4	Low	33 Å²	33	66.6 Å²	66.6	15%	0.153	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	155.1	176	-73.4	-76.3	0	0	0	109.9	C152 D156 G157 N158 E160 Q305 C307	C152-H154 PolarHBondContact SG-N 3.25Å; H154-D156 PolarHBondContact O-N 3.15Å; H154-G157 PolarHBondContact O-N 3.13Å; H154-N158 PolarHBondContact N-O 3.42Å; H154-E160 IonicContact CD2-OE2 2.73Å; H154-E160 IonicContact CE1-OE2 3.18Å; H154-E160 IonicContact NE2-OE2 2.77Å; H154-E160 PolarHBondContact NE2-OE2 2.93Å; H154-Q305 PolarHBondContact CE1-OE1 3.03Å; H154-Q305 VanDerWaalsContact CE1-OE1 3.24Å; H154-C307 PolarHBondContact CE1-SG 2.96Å; H154-C307 PolarHBondContact ND1-SG 3.15Å
155	I	54.8	Low	54.5	Low	87 Å²	87	70.6 Å²	70.6	45%	0.446	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-27.1	179.8	-66.8	171.8	0	0	0	111.6	G157 Y289 L306	I155-G157 PolarHBondContact O-N 2.59Å; I155-Y289 HydrophobicContact CG1-CE2 4.44Å; I155-L306 HydrophobicContact CD1-CB 4.37Å; I155-L306 HydrophobicContact CD1-CD2 4.02Å; I155-L306 HydrophobicContact CD1-CG 4.26Å
156	D	56.1	Low	54.1	Low	140 Å²	140	73.7 Å²	73.7	75%	0.749	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	4.8	177.1	-58	-20	0	0	0	114	H154 N158	H154-D156 PolarHBondContact O-N 3.15Å; D156-N158 VanDerWaalsContact C-N 3.25Å; D156-N158 PolarHBondContact O-N 3.05Å
157	G	54.1	Low	53.9	Low	57 Å²	57	74.7 Å²	74.7	59%	0.588	41%	0.41	S	S	*	.	S	Bend	trans	81.1	-4.8	178.8	0	0	0	0	0	115	H154 I155 I159	H154-G157 PolarHBondContact O-N 3.13Å; I155-G157 PolarHBondContact O-N 2.59Å; G157-I159 PolarHBondContact O-N 3.19Å
158	N	56.3	Low	54.3	Low	114 Å²	114	77.7 Å²	77.7	61%	0.61	42%	0.422	S	S	*	.			trans	-71.5	118.3	173.5	-73.4	-27.3	0	0	0	110.1	H154 D156 E160	H154-N158 PolarHBondContact N-O 3.42Å; D156-N158 VanDerWaalsContact C-N 3.25Å; D156-N158 PolarHBondContact O-N 3.05Å; N158-E160 PolarHBondContact O-N 2.75Å
159	I	54.5	Low	55.5	Low	114 Å²	114	77.1 Å²	77.1	59%	0.585	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	110.5	172	-49	-169.8	0	0	0	107.5	C152 T153 G157 N161	C152-I159 WeakPolarHBondContact O-CA 3.04Å; T153-I159 HydrophobicContact CG2-CB 4.4Å; T153-I159 HydrophobicContact CG2-CD1 4.17Å; T153-I159 HydrophobicContact CG2-CG1 3.82Å; T153-I159 HydrophobicContact CG2-CG2 4.24Å; G157-I159 PolarHBondContact O-N 3.19Å; I159-N161 WeakPolarHBondContact CG2-OD1 3.28Å
160	E	55.2	Low	56.8	Low	109 Å²	109	73.8 Å²	73.8	51%	0.509	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	104.5	170.9	-158.6	173.9	-170.3	0	0	107.7	C152 H154 N158 K162	C152-E160 PolarHBondContact N-O 2.94Å; C152-E160 PolarHBondContact O-N 2.9Å; H154-E160 IonicContact CD2-OE2 2.73Å; H154-E160 IonicContact CE1-OE2 3.18Å; H154-E160 IonicContact NE2-OE2 2.77Å; H154-E160 PolarHBondContact NE2-OE2 2.93Å; N158-E160 PolarHBondContact O-N 2.75Å; E160-K162 VanDerWaalsContact C-N 3.26Å; E160-K162 PolarHBondContact O-N 3.09Å
161	N	50.8	Low	58.2	Low	104 Å²	104	74 Å²	74	56%	0.556	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.1	87.6	173	-71.7	-14.6	0	0	0	108	N151 I159 I163	N151-N161 PolarHBondContact OD1-OD1 2.97Å; N151-N161 VanDerWaalsContact OD1-OD1 3.12Å; I159-N161 WeakPolarHBondContact CG2-OD1 3.28Å; N161-I163 PolarHBondContact O-N 2.93Å
162	K	52.3	Low	59.7	Low	81 Å²	81	70.6 Å²	70.6	35%	0.352	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	93.6	174.5	-161.5	174.8	-178.4	-177.5	0	108.6	L150 E160 I164 E302 N303	L150-K162 PolarHBondContact O-N 3.49Å; E160-K162 VanDerWaalsContact C-N 3.26Å; E160-K162 PolarHBondContact O-N 3.09Å; K162-I164 PolarHBondContact O-N 2.87Å; K162-I164 VanDerWaalsContact O-N 3.09Å; K162-E302 IonicContact NZ-OE1 2.61Å; K162-E302 PolarHBondContact NZ-OE1 2.89Å; K162-N303 PolarHBondContact NZ-ND2 3.41Å; K162-N303 VanDerWaalsContact NZ-ND2 3.17Å
163	I	48.8	Very low	61.4	Low	93 Å²	93	71.1 Å²	71.1	48%	0.477	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	110.8	164	-55.6	177	0	0	0	105.6	N161 N165	N161-I163 PolarHBondContact O-N 2.93Å; I163-N165 HydrophobicContact CB-CB 4.4Å; I163-N165 HydrophobicContact CG2-CB 3.67Å; I163-N165 PolarHBondContact O-N 3.26Å
164	I	49.6	Very low	62.8	Low	47 Å²	47	69.6 Å²	69.6	24%	0.241	38%	0.375	C	S	.	.			trans	-72	79.4	165.5	-58.9	-179.2	0	0	0	105.4	N148 L150 K162 E166	N148-I164 PolarHBondContact O-N 2.87Å; L150-I164 HydrophobicContact CD1-CD1 3.51Å; L150-I164 HydrophobicContact CG-CD1 4.1Å; K162-I164 PolarHBondContact O-N 2.87Å; K162-I164 VanDerWaalsContact O-N 3.09Å; I164-E166 HydrophobicContact CG2-CG 4.49Å; I164-E166 PolarHBondContact O-N 3.35Å
165	N	43.9	Very low	64.2	Low	121 Å²	121	68.1 Å²	68.1	65%	0.647	37%	0.369	S	S	*	.			trans	-83.4	44.3	-173.3	-149.9	4.2	0	0	0	111	I163 S167	I163-N165 HydrophobicContact CB-CB 4.4Å; I163-N165 HydrophobicContact CG2-CB 3.67Å; I163-N165 PolarHBondContact O-N 3.26Å; N165-S167 PolarHBondContact O-N 3.49Å; N165-S167 VanDerWaalsContact O-N 3.11Å
166	E	54.7	Low	65.7	Low	74 Å²	74	65 Å²	65	35%	0.346	35%	0.353	S	S	.	.			trans	-86.9	58.4	167.3	-67.5	-174.9	171.8	0	0	108.4	I164 N168 D169	I164-E166 HydrophobicContact CG2-CG 4.49Å; I164-E166 PolarHBondContact O-N 3.35Å; E166-N168 PolarHBondContact O-N 3.49Å; E166-D169 HydrophobicContact CB-CB 3.83Å; E166-D169 PolarHBondContact O-N 2.7Å
167	S	58.4	Low	67	Low	71 Å²	71	58.8 Å²	58.8	50%	0.497	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-4	-177.4	54.7	0	0	0	0	114.6	N165 W170	N165-S167 PolarHBondContact O-N 3.49Å; N165-S167 VanDerWaalsContact O-N 3.11Å; S167-W170 WeakPolarHBondContact O-CH2 3.38Å
168	N	68.1	Low	68.5	Low	121 Å²	121	56.7 Å²	56.7	65%	0.647	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.3	4.3	178.9	-62.3	-43	0	0	0	114.5	E166 W170	E166-N168 PolarHBondContact O-N 3.49Å; N168-W170 VanDerWaalsContact C-N 3.33Å; N168-W170 PolarHBondContact O-N 2.83Å; N168-W170 VanDerWaalsContact O-N 3.1Å
169	D	80.6	Confident	70	Confident	32 Å²	32	51.3 Å²	51.3	17%	0.171	27%	0.266	C	S	.	.			trans	-86.1	76.8	174.2	-168	-13.9	0	0	0	110.8	E166 M171 S172 N173 Y224	E166-D169 HydrophobicContact CB-CB 3.83Å; E166-D169 PolarHBondContact O-N 2.7Å; D169-M171 PolarHBondContact O-N 2.92Å; D169-M171 VanDerWaalsContact O-N 3.16Å; D169-M171 VanDerWaalsContact OD1-CB 3.32Å; D169-M171 WeakPolarHBondContact OD1-CB 3.32Å; D169-M171 PolarHBondContact OD1-N 3.34Å; D169-M171 VanDerWaalsContact OD1-N 3.15Å; D169-S172 PolarHBondContact O-N 2.95Å; D169-S172 PolarHBondContact OD1-N 3.47Å; D169-S172 WeakPolarHBondContact OD2-CB 3.37Å; D169-N173 WeakPolarHBondContact O-CB 3.15Å; D169-N173 PolarHBondContact O-N 3.49Å; D169-N173 PolarHBondContact O-ND2 3.24Å; D169-N173 VanDerWaalsContact O-ND2 3.16Å; D169-Y224 VanDerWaalsContact CG-OH 3.26Å; D169-Y224 PolarHBondContact OD1-OH 3.15Å; D169-Y224 PolarHBondContact OD2-OH 3.16Å
170	W	83.8	Confident	71.4	Confident	16 Å²	16	46 Å²	46	6%	0.061	24%	0.239	C	C	.	.	H	α-helix	trans	-61.8	-22.2	179	-50.8	117.4	0	0	0	113	I114 W117 K119 Y122 S167 N168 L174	I114-W170 HydrophobicContact CG2-CB 4.11Å; W117-W170 HydrophobicContact CB-CG 4.35Å; W117-W170 PolarHBondContact O-NE1 2.95Å; K119-W170 VanDerWaalsContact CA-CZ2 3.47Å; K119-W170 HydrophobicContact CB-CH2 3.56Å; K119-W170 HydrophobicContact CB-CZ2 3.67Å; K119-W170 HydrophobicContact CB-CZ3 4.47Å; K119-W170 HydrophobicContact CD-CH2 4.35Å; K119-W170 HydrophobicContact CG-CH2 3.74Å; K119-W170 HydrophobicContact CG-CZ2 4.37Å; K119-W170 HydrophobicContact CG-CZ3 4.37Å; Y122-W170 HydrophobicContact CD1-CD2 4.47Å; Y122-W170 AromaticContact CD1-CE3 3.47Å; Y122-W170 HydrophobicContact CD1-CE3 3.47Å; Y122-W170 VanDerWaalsContact CD1-CE3 3.47Å; Y122-W170 AromaticContact CD1-CZ3 3.76Å; Y122-W170 HydrophobicContact CD1-CZ3 3.76Å; Y122-W170 HydrophobicContact CD2-CB 4.07Å; Y122-W170 HydrophobicContact CD2-CE3 4.11Å; Y122-W170 HydrophobicContact CE1-CE3 4.08Å; Y122-W170 HydrophobicContact CE1-CZ3 4.33Å; Y122-W170 HydrophobicContact CG-CB 4.42Å; Y122-W170 HydrophobicContact CG-CD2 4.1Å; Y122-W170 AromaticContact CG-CE3 3.49Å; Y122-W170 HydrophobicContact CG-CE3 3.49Å; Y122-W170 VanDerWaalsContact CG-CE3 3.49Å; Y122-W170 HydrophobicContact CG-CG 4.47Å; Y122-W170 HydrophobicContact CG-CZ3 4.2Å; S167-W170 WeakPolarHBondContact O-CH2 3.38Å; N168-W170 VanDerWaalsContact C-N 3.33Å; N168-W170 PolarHBondContact O-N 2.83Å; N168-W170 VanDerWaalsContact O-N 3.1Å; W170-L174 WeakPolarHBondContact O-CB 3.27Å; W170-L174 PolarHBondContact O-N 2.86Å
171	M	84.7	Confident	72.7	Confident	26 Å²	26	40.8 Å²	40.8	13%	0.128	22%	0.215	C	C	.	.	H	α-helix	trans	-69.8	-58.3	177.4	-172.1	65	89.7	0	0	110.5	I110 I114 P115 D169 N173 L174 M175 Y224	I110-M171 HydrophobicContact CD1-CE 3.19Å; I110-M171 HydrophobicContact CD1-CG 4.39Å; I110-M171 HydrophobicContact CD1-SD 3Å; I110-M171 WeakPolarHBondContact CD1-SD 3.4Å; I110-M171 HydrophobicContact CG1-CE 4.5Å; I110-M171 HydrophobicContact CG1-SD 4.41Å; I114-M171 HydrophobicContact CB-CE 3.89Å; I114-M171 HydrophobicContact CB-SD 4.02Å; I114-M171 HydrophobicContact CD1-CE 4.4Å; I114-M171 HydrophobicContact CD1-SD 3.93Å; I114-M171 HydrophobicContact CG2-CB 4.05Å; I114-M171 HydrophobicContact CG2-CE 4.04Å; I114-M171 HydrophobicContact CG2-SD 3.69Å; P115-M171 HydrophobicContact CG-CE 3.83Å; D169-M171 PolarHBondContact O-N 2.92Å; D169-M171 VanDerWaalsContact O-N 3.16Å; D169-M171 VanDerWaalsContact OD1-CB 3.32Å; D169-M171 WeakPolarHBondContact OD1-CB 3.32Å; D169-M171 PolarHBondContact OD1-N 3.34Å; D169-M171 VanDerWaalsContact OD1-N 3.15Å; M171-N173 VanDerWaalsContact C-N 3.29Å; M171-N173 PolarHBondContact O-N 2.87Å; M171-L174 PolarHBondContact O-N 2.98Å; M171-M175 VanDerWaalsContact O-CG 3.32Å; M171-M175 WeakPolarHBondContact O-CG 3.02Å; M171-M175 PolarHBondContact O-N 2.84Å; M171-M175 HydrophobicContact SD-CE 4.29Å; M171-Y224 HydrophobicContact CG-CE2 4.44Å
172	S	85.6	Confident	74.1	Confident	6 Å²	6	38.3 Å²	38.3	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-51.8	-50.6	175.1	175.4	0	0	0	0	110.7	H103 D169 L174 M175 L176	H103-S172 PolarHBondContact NE2-OG 2.93Å; H103-S172 VanDerWaalsContact NE2-OG 3.11Å; D169-S172 PolarHBondContact O-N 2.95Å; D169-S172 PolarHBondContact OD1-N 3.47Å; D169-S172 WeakPolarHBondContact OD2-CB 3.37Å; S172-L174 PolarHBondContact O-N 3.3Å; S172-M175 PolarHBondContact O-N 2.75Å; S172-M175 VanDerWaalsContact O-N 3.13Å; S172-L176 WeakPolarHBondContact O-CB 3Å; S172-L176 WeakPolarHBondContact O-CG 3.5Å; S172-L176 PolarHBondContact O-N 2.76Å
173	N	83.5	Confident	75.8	Confident	14 Å²	14	37.1 Å²	37.1	8%	0.075	20%	0.195	C	C	.	.	H	α-helix	trans	-59.6	-44.8	-179.3	-66.5	-21.6	0	0	0	113	Y122 N148 D169 M171 L177	Y122-N173 HydrophobicContact CE1-CB 4.46Å; Y122-N173 HydrophobicContact CE2-CB 4.3Å; Y122-N173 PolarHBondContact OH-O 2.8Å; N148-N173 PolarHBondContact ND2-OD1 2.92Å; D169-N173 WeakPolarHBondContact O-CB 3.15Å; D169-N173 PolarHBondContact O-N 3.49Å; D169-N173 PolarHBondContact O-ND2 3.24Å; D169-N173 VanDerWaalsContact O-ND2 3.16Å; M171-N173 VanDerWaalsContact C-N 3.29Å; M171-N173 PolarHBondContact O-N 2.87Å; N173-L177 WeakPolarHBondContact O-CB 3.1Å; N173-L177 PolarHBondContact O-N 2.82Å
174	L	85	Confident	77.6	Confident	1 Å²	1	32.7 Å²	32.7	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-63.5	-45.4	176.8	-176	60.4	0	0	0	110.9	I114 W117 Y122 Y125 I126 W170 M171 S172 L176 L177 I178	I114-L174 HydrophobicContact CD1-CD2 3.45Å; I114-L174 VanDerWaalsContact CD1-CD2 3.45Å; I114-L174 HydrophobicContact CG1-CD2 4.1Å; W117-L174 HydrophobicContact CZ3-CD2 4.31Å; Y122-L174 HydrophobicContact CE2-CB 3.9Å; Y122-L174 HydrophobicContact CE2-CD1 4.32Å; Y125-L174 HydrophobicContact CD1-CD1 4.24Å; Y125-L174 HydrophobicContact CE1-CD1 3.88Å; Y125-L174 HydrophobicContact CE1-CD2 4.17Å; I126-L174 HydrophobicContact CD1-CD1 3.43Å; I126-L174 VanDerWaalsContact CD1-CD1 3.43Å; W170-L174 WeakPolarHBondContact O-CB 3.27Å; W170-L174 PolarHBondContact O-N 2.86Å; M171-L174 PolarHBondContact O-N 2.98Å; S172-L174 PolarHBondContact O-N 3.3Å; L174-L176 PolarHBondContact O-N 2.85Å; L174-L177 PolarHBondContact O-N 3.06Å; L174-I178 HydrophobicContact CD1-CD1 4.01Å; L174-I178 HydrophobicContact CD1-CG1 4.21Å; L174-I178 HydrophobicContact CD2-CD1 4.43Å; L174-I178 HydrophobicContact CG-CD1 3.82Å; L174-I178 HydrophobicContact CG-CG1 4.38Å; L174-I178 VanDerWaalsContact O-CG1 3.23Å; L174-I178 WeakPolarHBondContact O-CG1 3.36Å; L174-I178 PolarHBondContact O-N 3.32Å
175	M	87.1	Confident	79.3	Confident	2 Å²	2	30.5 Å²	30.5	1%	0.01	16%	0.16	C	C	.	.	H	α-helix	trans	-65.8	-39.2	-177.6	-69.7	-46.1	104.3	0	0	111.7	V105 I110 M171 S172 I178 T179	V105-M175 HydrophobicContact CG2-CB 4.29Å; V105-M175 WeakPolarHBondContact CG2-O 3.41Å; V105-M175 HydrophobicContact CG2-SD 3.88Å; I110-M175 HydrophobicContact CB-CE 4.17Å; I110-M175 HydrophobicContact CD1-CE 4.3Å; I110-M175 HydrophobicContact CG2-CE 3.24Å; I110-M175 HydrophobicContact CG2-SD 3.79Å; M171-M175 VanDerWaalsContact O-CG 3.32Å; M171-M175 WeakPolarHBondContact O-CG 3.02Å; M171-M175 PolarHBondContact O-N 2.84Å; M171-M175 HydrophobicContact SD-CE 4.29Å; S172-M175 PolarHBondContact O-N 2.75Å; S172-M175 VanDerWaalsContact O-N 3.13Å; M175-I178 HydrophobicContact CE-CD1 4.09Å; M175-T179 WeakPolarHBondContact O-CB 3.22Å; M175-T179 PolarHBondContact O-N 3.39Å; M175-T179 PolarHBondContact O-OG1 2.95Å
176	L	86.5	Confident	81.1	Confident	23 Å²	23	25.2 Å²	25.2	12%	0.12	13%	0.133	C	C	.	.	H	α-helix	trans	-61.6	-46.9	173.7	-75	165.1	0	0	0	111.2	S102 S172 L174 I178 T179 D180	S102-L176 VanDerWaalsContact O-CD2 3.25Å; S102-L176 WeakPolarHBondContact O-CD2 3.3Å; S172-L176 WeakPolarHBondContact O-CB 3Å; S172-L176 WeakPolarHBondContact O-CG 3.5Å; S172-L176 PolarHBondContact O-N 2.76Å; L174-L176 PolarHBondContact O-N 2.85Å; L176-I178 PolarHBondContact O-N 3.03Å; L176-T179 PolarHBondContact O-N 3.4Å; L176-D180 VanDerWaalsContact O-CG 3.26Å; L176-D180 PolarHBondContact O-N 3.41Å
177	L	83.7	Confident	82.7	Confident	8 Å²	8	22.4 Å²	22.4	4%	0.042	12%	0.12	C	C	.	.	H	α-helix	trans	-62.3	-44.6	179.4	-173.8	72.6	0	0	0	111.9	I126 Y144 N173 L174 D180 S181 F319 W320 F335	I126-L177 HydrophobicContact CD1-CD2 3.38Å; I126-L177 HydrophobicContact CG1-CD2 3.97Å; I126-L177 HydrophobicContact CG2-CD2 3.82Å; Y144-L177 HydrophobicContact CE1-CD1 4.25Å; N173-L177 WeakPolarHBondContact O-CB 3.1Å; N173-L177 PolarHBondContact O-N 2.82Å; L174-L177 PolarHBondContact O-N 3.06Å; L177-D180 PolarHBondContact O-N 3.16Å; L177-S181 PolarHBondContact O-N 3.12Å; L177-F319 HydrophobicContact CD1-CE1 4.34Å; L177-W320 HydrophobicContact CD1-CH2 4.41Å; L177-W320 HydrophobicContact CD1-CZ2 3.59Å; L177-W320 HydrophobicContact CG-CH2 4.44Å; L177-W320 HydrophobicContact CG-CZ2 3.84Å; L177-W320 VanDerWaalsContact O-CZ2 3.24Å; L177-W320 WeakPolarHBondContact O-CZ2 3.5Å; L177-F335 HydrophobicContact CD2-CE2 4.24Å; L177-F335 HydrophobicContact CD2-CZ 3.69Å; L177-F335 HydrophobicContact CG-CE2 4.15Å; L177-F335 HydrophobicContact CG-CZ 4.1Å
178	I	85.2	Confident	84	Confident	14 Å²	14	19.2 Å²	19.2	7%	0.072	10%	0.098	C	C	.	.	H	α-helix	trans	-64.5	-45.2	175.8	-62.1	172.6	0	0	0	109.5	V105 L174 M175 L176 D180 S181 R182 F335	V105-I178 HydrophobicContact CB-CB 4.45Å; V105-I178 HydrophobicContact CB-CG2 3.86Å; V105-I178 HydrophobicContact CG1-CG2 3.85Å; V105-I178 HydrophobicContact CG2-CB 3.53Å; V105-I178 HydrophobicContact CG2-CG2 3.49Å; V105-I178 VanDerWaalsContact CG2-CG2 3.49Å; L174-I178 HydrophobicContact CD1-CD1 4.01Å; L174-I178 HydrophobicContact CD1-CG1 4.21Å; L174-I178 HydrophobicContact CD2-CD1 4.43Å; L174-I178 HydrophobicContact CG-CD1 3.82Å; L174-I178 HydrophobicContact CG-CG1 4.38Å; L174-I178 VanDerWaalsContact O-CG1 3.23Å; L174-I178 WeakPolarHBondContact O-CG1 3.36Å; L174-I178 PolarHBondContact O-N 3.32Å; M175-I178 HydrophobicContact CE-CD1 4.09Å; L176-I178 PolarHBondContact O-N 3.03Å; I178-D180 VanDerWaalsContact C-N 3.25Å; I178-D180 PolarHBondContact O-N 3.1Å; I178-S181 PolarHBondContact O-N 2.9Å; I178-S181 PolarHBondContact O-OG 3.14Å; I178-R182 HydrophobicContact CG2-CG 4.09Å; I178-R182 WeakPolarHBondContact O-CB 3.5Å; I178-R182 WeakPolarHBondContact O-CG 3.3Å; I178-R182 PolarHBondContact O-N 2.04Å; I178-F335 HydrophobicContact CB-CB 4.43Å; I178-F335 HydrophobicContact CB-CD2 4.16Å; I178-F335 HydrophobicContact CB-CG 4.36Å; I178-F335 HydrophobicContact CD1-CB 4.28Å; I178-F335 HydrophobicContact CD1-CD1 4.37Å; I178-F335 HydrophobicContact CD1-CG 4.3Å; I178-F335 HydrophobicContact CG1-CB 3.87Å; I178-F335 HydrophobicContact CG1-CD1 3.9Å; I178-F335 HydrophobicContact CG1-CD2 3.7Å; I178-F335 HydrophobicContact CG1-CE1 4.33Å; I178-F335 HydrophobicContact CG1-CE2 4.06Å; I178-F335 HydrophobicContact CG1-CG 3.57Å; I178-F335 HydrophobicContact CG1-CZ 4.4Å; I178-F335 HydrophobicContact CG2-CB 3.89Å; I178-F335 HydrophobicContact CG2-CD2 4.32Å; I178-F335 HydrophobicContact CG2-CG 4.33Å
179	T	87.3	Confident	84.7	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-58	-39.5	178.3	-63.5	0	0	0	0	111.2	E104 V105 M175 L176 S181 R182 L183 T184	E104-T179 HydrophobicContact CB-CG2 3.73Å; E104-T179 HydrophobicContact CG-CG2 3.74Å; E104-T179 PolarHBondContact N-OG1 3.02Å; V105-T179 VanDerWaalsContact CG2-OG1 3.28Å; V105-T179 WeakPolarHBondContact CG2-OG1 3.38Å; V105-T179 PolarHBondContact N-OG1 3.4Å; M175-T179 WeakPolarHBondContact O-CB 3.22Å; M175-T179 PolarHBondContact O-N 3.39Å; M175-T179 PolarHBondContact O-OG1 2.95Å; L176-T179 PolarHBondContact O-N 3.4Å; T179-S181 PolarHBondContact O-N 3.41Å; T179-R182 PolarHBondContact O-N 3.45Å; T179-L183 PolarHBondContact O-N 3.46Å; T179-T184 PolarHBondContact O-N 3.42Å; T179-T184 PolarHBondContact O-OG1 3.47Å
180	D	85.6	Confident	84.8	Confident	3 Å²	3	15.3 Å²	15.3	2%	0.016	8%	0.075	C	C	.	.	I	π-helix	trans	-64	-43.4	177.7	-71.3	-22.1	0	0	0	113.3	Y144 L176 L177 I178 T184 C185 R316 W320	Y144-D180 PolarHBondContact OH-OD2 3.19Å; L176-D180 VanDerWaalsContact O-CG 3.26Å; L176-D180 PolarHBondContact O-N 3.41Å; L177-D180 PolarHBondContact O-N 3.16Å; I178-D180 VanDerWaalsContact C-N 3.25Å; I178-D180 PolarHBondContact O-N 3.1Å; D180-T184 VanDerWaalsContact OD1-CB 3.22Å; D180-T184 WeakPolarHBondContact OD1-CB 3.18Å; D180-T184 PolarHBondContact OD1-OG1 3.37Å; D180-C185 VanDerWaalsContact O-CB 3.31Å; D180-C185 WeakPolarHBondContact O-CB 3.41Å; D180-C185 PolarHBondContact O-N 2.86Å; D180-C185 PolarHBondContact O-SG 3.07Å; D180-R316 VanDerWaalsContact CG-CZ 3.48Å; D180-R316 IonicContact OD1-CZ 3.97Å; D180-R316 IonicContact OD1-NE 3.78Å; D180-R316 PolarHBondContact OD1-NE 3.47Å; D180-R316 VanDerWaalsContact OD1-NE 3.16Å; D180-R316 IonicContact OD1-NH1 2.92Å; D180-R316 IonicContact OD1-NH2 2.82Å; D180-R316 PolarHBondContact OD1-NH2 2.65Å; D180-R316 IonicContact OD2-CZ 3.09Å; D180-R316 VanDerWaalsContact OD2-CZ 3.24Å; D180-R316 IonicContact OD2-NE 3.79Å; D180-R316 PolarHBondContact OD2-NE 3.21Å; D180-R316 IonicContact OD2-NH2 3.47Å; D180-R316 PolarHBondContact OD2-NH2 2.85Å; D180-W320 VanDerWaalsContact CB-NE1 3.26Å
181	S	81.5	Confident	84.9	Confident	0 Å²	0	14.8 Å²	14.8	0%	0	7%	0.074	C	C	.	.	I	π-helix	trans	-65.1	-42	175.8	73.8	0	0	0	0	112.3	L177 I178 T179 S331 T332	L177-S181 PolarHBondContact O-N 3.12Å; I178-S181 PolarHBondContact O-N 2.9Å; I178-S181 PolarHBondContact O-OG 3.14Å; T179-S181 PolarHBondContact O-N 3.41Å; S181-S331 CarbonylContact O-C 3.28Å; S181-S331 PolarHBondContact O-OG 2.88Å; S181-T332 WeakPolarHBondContact O-CA 3.2Å; S181-T332 PolarHBondContact O-N 3.47Å
182	R	81.2	Confident	84.9	Confident	52 Å²	52	14.9 Å²	14.9	20%	0.196	8%	0.075	C	C	.	.	I	π-helix	trans	-84.5	-37.2	-169.4	-67.3	-153.3	179	165.7	-5.1	113.3	V105 I178 T179 T332 F335	V105-R182 HydrophobicContact CG1-CB 4.35Å; V105-R182 HydrophobicContact CG1-CG 4.47Å; I178-R182 HydrophobicContact CG2-CG 4.09Å; I178-R182 WeakPolarHBondContact O-CB 3.5Å; I178-R182 WeakPolarHBondContact O-CG 3.3Å; I178-R182 PolarHBondContact O-N 2.04Å; T179-R182 PolarHBondContact O-N 3.45Å; R182-T332 WeakPolarHBondContact CG-O 3.33Å; R182-F335 PolarHBondContact NH2-O 3.45Å
183	L	86.7	Confident	84.7	Confident	56 Å²	56	18.2 Å²	18.2	29%	0.293	9%	0.09	S	C	.	.	I	π-helix	trans	-131.6	-57.6	-173	-168.3	67	0	0	0	112.7	Q100 E104 T179 C185 P186 L187	Q100-L183 HydrophobicContact CB-CD2 3.74Å; E104-L183 HydrophobicContact CB-CD2 4.35Å; E104-L183 HydrophobicContact CG-CB 4.5Å; E104-L183 HydrophobicContact CG-CD2 3.46Å; E104-L183 VanDerWaalsContact CG-CD2 3.46Å; E104-L183 VanDerWaalsContact OE1-CD2 3.3Å; E104-L183 WeakPolarHBondContact OE1-CD2 3.28Å; T179-L183 PolarHBondContact O-N 3.46Å; L183-C185 VanDerWaalsContact C-N 3.32Å; L183-C185 PolarHBondContact O-N 3.33Å; L183-P186 WeakPolarHBondContact O-CD 3.22Å; L183-L187 HydrophobicContact CD1-CB 4.49Å; L183-L187 HydrophobicContact CG-CB 4.47Å; L183-L187 HydrophobicContact CG-CD2 4.39Å; L183-L187 WeakPolarHBondContact O-CB 3.22Å; L183-L187 PolarHBondContact O-N 3.48Å
184	T	86.8	Confident	84.6	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.089	C	C	.	.	I	π-helix	trans	-53.5	-50	-167	-44.7	0	0	0	0	112.5	Q100 T179 D180 S188 Y205 M313	Q100-T184 PolarHBondContact NE2-OG1 3.46Å; Q100-T184 VanDerWaalsContact OE1-CA 3.28Å; T179-T184 PolarHBondContact O-N 3.42Å; T179-T184 PolarHBondContact O-OG1 3.47Å; D180-T184 VanDerWaalsContact OD1-CB 3.22Å; D180-T184 WeakPolarHBondContact OD1-CB 3.18Å; D180-T184 PolarHBondContact OD1-OG1 3.37Å; T184-S188 WeakPolarHBondContact O-CB 3.46Å; T184-S188 PolarHBondContact O-N 3.01Å; T184-S188 PolarHBondContact O-OG 3.5Å; T184-Y205 HydrophobicContact CG2-CE2 4.44Å; T184-M313 HydrophobicContact CG2-CE 3.89Å; T184-M313 HydrophobicContact CG2-CG 4.36Å; T184-M313 HydrophobicContact CG2-SD 3.16Å; T184-M313 WeakPolarHBondContact CG2-SD 3.44Å
185	C	85.6	Confident	84.6	Confident	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-75.2	-47.4	-175.9	-63.2	0	0	0	0	114.2	D180 L183 L187 S188 E189 C317 W320 L328	D180-C185 VanDerWaalsContact O-CB 3.31Å; D180-C185 WeakPolarHBondContact O-CB 3.41Å; D180-C185 PolarHBondContact O-N 2.86Å; D180-C185 PolarHBondContact O-SG 3.07Å; L183-C185 VanDerWaalsContact C-N 3.32Å; L183-C185 PolarHBondContact O-N 3.33Å; C185-L187 VanDerWaalsContact C-N 3.25Å; C185-L187 PolarHBondContact O-N 2.86Å; C185-S188 PolarHBondContact O-N 3.26Å; C185-E189 PolarHBondContact O-N 3.03Å; C185-E189 VanDerWaalsContact O-N 3.07Å; C185-C317 WeakPolarHBondContact CA-SG 3.38Å; C185-C317 HydrophobicContact CB-CB 3.69Å; C185-C317 WeakPolarHBondContact CB-SG 3.45Å; C185-C317 WeakPolarHBondContact SG-CA 3.48Å; C185-C317 WeakPolarHBondContact SG-CB 3.03Å; C185-C317 CovalentContact SG-SG 2.04Å; C185-C317 PolarHBondContact SG-SG 2.88Å; C185-W320 VanDerWaalsContact SG-CD1 3.52Å; C185-L328 HydrophobicContact CB-CD1 3.93Å; C185-L328 HydrophobicContact CB-CD2 3.83Å; C185-L328 HydrophobicContact CB-CG 4.31Å
186	P	82.6	Confident	84	Confident	11 Å²	11	23 Å²	23	7%	0.071	12%	0.116	C	C	.	.	H	α-helix	trans	-54.2	-41.4	169.7	-27	34	0	0	0	113.2	L183 E189 L190 F329 T332	L183-P186 WeakPolarHBondContact O-CD 3.22Å; P186-E189 PolarHBondContact O-N 2.94Å; P186-L190 WeakPolarHBondContact O-CB 3.16Å; P186-L190 PolarHBondContact O-N 2.77Å; P186-F329 HydrophobicContact CB-CD1 4.1Å; P186-F329 HydrophobicContact CB-CE1 4.08Å; P186-T332 WeakPolarHBondContact CG-OG1 3.36Å
187	L	86.4	Confident	83.4	Confident	15 Å²	15	23.4 Å²	23.4	8%	0.079	12%	0.118	C	C	.	.	H	α-helix	trans	-67.2	-46.5	-178.5	-174.3	61.1	0	0	0	112	I98 Q100 L183 C185 E189 L190 V191	I98-L187 HydrophobicContact CD1-CD1 3.33Å; I98-L187 HydrophobicContact CD1-CG 4.46Å; I98-L187 HydrophobicContact CG1-CD1 3.79Å; Q100-L187 HydrophobicContact CB-CD2 4.12Å; Q100-L187 HydrophobicContact CG-CD2 4.33Å; L183-L187 HydrophobicContact CD1-CB 4.49Å; L183-L187 HydrophobicContact CG-CB 4.47Å; L183-L187 HydrophobicContact CG-CD2 4.39Å; L183-L187 WeakPolarHBondContact O-CB 3.22Å; L183-L187 PolarHBondContact O-N 3.48Å; C185-L187 VanDerWaalsContact C-N 3.25Å; C185-L187 PolarHBondContact O-N 2.86Å; L187-E189 VanDerWaalsContact C-N 3.32Å; L187-E189 PolarHBondContact O-N 3.38Å; L187-L190 WeakPolarHBondContact O-CB 3.34Å; L187-L190 PolarHBondContact O-N 3.38Å; L187-V191 WeakPolarHBondContact O-CG2 3.23Å; L187-V191 PolarHBondContact O-N 2.89Å
188	S	86.1	Confident	83.1	Confident	3 Å²	3	24.9 Å²	24.9	2%	0.021	12%	0.123	C	C	.	.	H	α-helix	trans	-63.8	-36.7	176.8	-77.3	0	0	0	0	112.8	T184 C185 V191 N192 Q203 M313	T184-S188 WeakPolarHBondContact O-CB 3.46Å; T184-S188 PolarHBondContact O-N 3.01Å; T184-S188 PolarHBondContact O-OG 3.5Å; C185-S188 PolarHBondContact O-N 3.26Å; S188-V191 PolarHBondContact O-N 3.05Å; S188-N192 WeakPolarHBondContact O-CB 3.42Å; S188-N192 PolarHBondContact O-N 3.5Å; S188-Q203 PolarHBondContact OG-NE2 2.91Å; S188-M313 VanDerWaalsContact OG-CB 3.25Å; S188-M313 WeakPolarHBondContact OG-CB 3.37Å; S188-M313 WeakPolarHBondContact OG-CG 3.48Å
189	E	82.3	Confident	83	Confident	39 Å²	39	29.6 Å²	29.6	18%	0.182	14%	0.141	C	C	.	.	H	α-helix	trans	-65.9	-41.9	173.1	-173.1	57.6	-140	0	0	111.2	C185 P186 L187 N192 Q193 Y296 K321 L328 F329	C185-E189 PolarHBondContact O-N 3.03Å; C185-E189 VanDerWaalsContact O-N 3.07Å; P186-E189 PolarHBondContact O-N 2.94Å; L187-E189 VanDerWaalsContact C-N 3.32Å; L187-E189 PolarHBondContact O-N 3.38Å; E189-N192 WeakPolarHBondContact O-CB 3.45Å; E189-N192 PolarHBondContact O-N 2.78Å; E189-Q193 WeakPolarHBondContact O-CG 3.18Å; E189-Q193 PolarHBondContact O-N 2.67Å; E189-Q193 PolarHBondContact OE1-NE2 2.76Å; E189-Y296 PolarHBondContact OE2-OH 3.18Å; E189-K321 IonicContact OE2-NZ 2.95Å; E189-L328 HydrophobicContact CB-CD1 4.17Å; E189-F329 HydrophobicContact CG-CE2 4.45Å
190	L	83.1	Confident	83.2	Confident	32 Å²	32	29.6 Å²	29.6	17%	0.168	14%	0.141	C	C	.	.	H	α-helix	trans	-59.8	-48.3	174.5	178.9	64	0	0	0	111.5	I83 P186 L187 N192 Q193 L194	I83-L190 HydrophobicContact CD1-CD1 4.39Å; P186-L190 WeakPolarHBondContact O-CB 3.16Å; P186-L190 PolarHBondContact O-N 2.77Å; L187-L190 WeakPolarHBondContact O-CB 3.34Å; L187-L190 PolarHBondContact O-N 3.38Å; L190-N192 VanDerWaalsContact C-N 3.31Å; L190-N192 PolarHBondContact O-N 2.91Å; L190-Q193 WeakPolarHBondContact O-CB 3.25Å; L190-Q193 PolarHBondContact O-N 3.43Å; L190-Q193 VanDerWaalsContact O-N 3.12Å; L190-L194 HydrophobicContact CD1-CD1 4.02Å; L190-L194 HydrophobicContact CD1-CD2 4.46Å; L190-L194 HydrophobicContact CD1-CG 4.06Å; L190-L194 HydrophobicContact CD2-CD1 4.42Å; L190-L194 HydrophobicContact CG-CD1 3.8Å; L190-L194 HydrophobicContact CG-CG 4.25Å; L190-L194 VanDerWaalsContact O-CG 3.25Å; L190-L194 WeakPolarHBondContact O-CG 3.25Å; L190-L194 PolarHBondContact O-N 2.86Å
191	V	85.9	Confident	83.4	Confident	5 Å²	5	29.6 Å²	29.6	3%	0.03	14%	0.141	C	C	.	.	H	α-helix	trans	-56.2	-46.9	176.3	169.3	0	0	0	0	110.9	I98 L187 S188 Q193 L194 T195 I201 Q203	I98-V191 HydrophobicContact CG2-CG2 3.52Å; L187-V191 WeakPolarHBondContact O-CG2 3.23Å; L187-V191 PolarHBondContact O-N 2.89Å; S188-V191 PolarHBondContact O-N 3.05Å; V191-Q193 VanDerWaalsContact C-N 3.28Å; V191-Q193 PolarHBondContact O-N 2.75Å; V191-L194 PolarHBondContact O-N 3.09Å; V191-L194 VanDerWaalsContact O-N 3.16Å; V191-T195 WeakPolarHBondContact O-CG2 3.46Å; V191-T195 PolarHBondContact O-N 3.37Å; V191-I201 HydrophobicContact CG1-CG2 4.21Å; V191-Q203 HydrophobicContact CG2-CG 4.42Å
192	N	84.5	Confident	83.9	Confident	28 Å²	28	29.8 Å²	29.8	15%	0.15	14%	0.141	C	C	.	.	H	α-helix	trans	-58.3	-39.7	178	-176	51.1	0	0	0	112.2	S188 E189 L190 T195 G294	S188-N192 WeakPolarHBondContact O-CB 3.42Å; S188-N192 PolarHBondContact O-N 3.5Å; E189-N192 WeakPolarHBondContact O-CB 3.45Å; E189-N192 PolarHBondContact O-N 2.78Å; L190-N192 VanDerWaalsContact C-N 3.31Å; L190-N192 PolarHBondContact O-N 2.91Å; N192-T195 PolarHBondContact O-OG1 3.23Å; N192-G294 PolarHBondContact OD1-N 3.16Å
193	Q	81.2	Confident	84.5	Confident	76 Å²	76	27.5 Å²	27.5	36%	0.355	13%	0.133	S	C	.	.	H	α-helix	trans	-68	-43.5	175.3	-68.8	173.3	7	0	0	112.2	E189 L190 V191 T195 N196	E189-Q193 WeakPolarHBondContact O-CG 3.18Å; E189-Q193 PolarHBondContact O-N 2.67Å; E189-Q193 PolarHBondContact OE1-NE2 2.76Å; L190-Q193 WeakPolarHBondContact O-CB 3.25Å; L190-Q193 PolarHBondContact O-N 3.43Å; L190-Q193 VanDerWaalsContact O-N 3.12Å; V191-Q193 VanDerWaalsContact C-N 3.28Å; V191-Q193 PolarHBondContact O-N 2.75Å; Q193-T195 VanDerWaalsContact C-N 3.32Å; Q193-T195 PolarHBondContact O-N 3.47Å; Q193-N196 PolarHBondContact O-ND2 3.39Å; Q193-N196 VanDerWaalsContact O-ND2 3.08Å
194	L	83	Confident	84.8	Confident	12 Å²	12	25.9 Å²	25.9	6%	0.063	12%	0.123	C	C	.	.	H	α-helix	trans	-69.7	-23.7	-177.4	-67.2	175.7	0	0	0	113.6	M96 L190 V191 N196 Q197 Y198 I201	M96-L194 HydrophobicContact CE-CD1 4.34Å; M96-L194 HydrophobicContact SD-CD1 3.96Å; L190-L194 HydrophobicContact CD1-CD1 4.02Å; L190-L194 HydrophobicContact CD1-CD2 4.46Å; L190-L194 HydrophobicContact CD1-CG 4.06Å; L190-L194 HydrophobicContact CD2-CD1 4.42Å; L190-L194 HydrophobicContact CG-CD1 3.8Å; L190-L194 HydrophobicContact CG-CG 4.25Å; L190-L194 VanDerWaalsContact O-CG 3.25Å; L190-L194 WeakPolarHBondContact O-CG 3.25Å; L190-L194 PolarHBondContact O-N 2.86Å; V191-L194 PolarHBondContact O-N 3.09Å; V191-L194 VanDerWaalsContact O-N 3.16Å; L194-N196 PolarHBondContact O-N 2.99Å; L194-Q197 PolarHBondContact O-N 3.05Å; L194-Y198 HydrophobicContact CB-CD2 4.02Å; L194-Y198 HydrophobicContact CD2-CD2 3.85Å; L194-Y198 HydrophobicContact CD2-CE2 3.61Å; L194-Y198 HydrophobicContact CG-CD2 4.43Å; L194-Y198 PolarHBondContact O-N 3.31Å; L194-I201 VanDerWaalsContact C-CD1 3.5Å; L194-I201 HydrophobicContact CB-CD1 3.71Å
195	T	84.3	Confident	85	Confident	26 Å²	26	26 Å²	26	16%	0.16	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-17.8	179.2	61	0	0	0	0	114.6	V191 N192 Q193 I201 K293	V191-T195 WeakPolarHBondContact O-CG2 3.46Å; V191-T195 PolarHBondContact O-N 3.37Å; N192-T195 PolarHBondContact O-OG1 3.23Å; Q193-T195 VanDerWaalsContact C-N 3.32Å; Q193-T195 PolarHBondContact O-N 3.47Å; T195-I201 HydrophobicContact CG2-CD1 4.22Å; T195-K293 WeakPolarHBondContact OG1-CB 3.5Å
196	N	75.5	Confident	85.3	Confident	80 Å²	80	26 Å²	26	43%	0.428	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.7	174.9	-52.1	-77.7	0	0	0	113.4	Q193 L194 K293	Q193-N196 PolarHBondContact O-ND2 3.39Å; Q193-N196 VanDerWaalsContact O-ND2 3.08Å; L194-N196 PolarHBondContact O-N 2.99Å; N196-K293 WeakPolarHBondContact OD1-CD 3.48Å; N196-K293 PolarHBondContact OD1-NZ 3Å
197	Q	72.4	Confident	85.6	Confident	32 Å²	32	26.2 Å²	26.2	15%	0.15	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.1	-36.8	-169.7	-70.1	-170.9	-22.6	0	0	113.5	M82 I83 N86 L194	M82-Q197 PolarHBondContact O-OE1 3.46Å; I83-Q197 VanDerWaalsContact C-NE2 3.3Å; I83-Q197 PolarHBondContact O-NE2 3.45Å; I83-Q197 PolarHBondContact O-OE1 3.02Å; I83-Q197 VanDerWaalsContact O-OE1 3.08Å; N86-Q197 HydrophobicContact CB-CG 4.49Å; N86-Q197 VanDerWaalsContact CG-CG 3.43Å; N86-Q197 WeakPolarHBondContact ND2-CG 3.24Å; N86-Q197 PolarHBondContact ND2-NE2 3Å; N86-Q197 VanDerWaalsContact ND2-NE2 3.19Å; N86-Q197 VanDerWaalsContact OD1-CG 3.31Å; N86-Q197 WeakPolarHBondContact OD1-CG 3.26Å; L194-Q197 PolarHBondContact O-N 3.05Å
198	Y	78.8	Confident	85.4	Confident	38 Å²	38	26 Å²	26	15%	0.149	13%	0.127	C	C	.	.	S	Bend	trans	-114.6	136.9	-174.2	-63.8	-95.3	0	0	0	108.1	K94 M96 L194 I201	K94-Y198 HydrophobicContact CB-CD1 3.47Å; K94-Y198 VanDerWaalsContact CB-CD1 3.47Å; K94-Y198 HydrophobicContact CB-CE1 3.83Å; K94-Y198 HydrophobicContact CD-CD1 4.46Å; K94-Y198 HydrophobicContact CD-CE1 3.99Å; K94-Y198 WeakPolarHBondContact O-CA 3.41Å; K94-Y198 WeakPolarHBondContact O-CB 2.99Å; K94-Y198 WeakPolarHBondContact O-CD1 3.28Å; M96-Y198 HydrophobicContact CE-CD1 3.64Å; M96-Y198 HydrophobicContact CE-CD2 4.27Å; M96-Y198 HydrophobicContact CE-CE1 3.66Å; M96-Y198 HydrophobicContact CE-CE2 4.34Å; M96-Y198 HydrophobicContact CE-CG 3.97Å; L194-Y198 HydrophobicContact CB-CD2 4.02Å; L194-Y198 HydrophobicContact CD2-CD2 3.85Å; L194-Y198 HydrophobicContact CD2-CE2 3.61Å; L194-Y198 HydrophobicContact CG-CD2 4.43Å; L194-Y198 PolarHBondContact O-N 3.31Å; Y198-I201 WeakPolarHBondContact O-CG1 3.19Å
199	Y	83.3	Confident	85.3	Confident	113 Å²	113	30.8 Å²	30.8	44%	0.443	15%	0.151	S	C	.	.	S	Bend	trans	-154.2	130.3	179.9	-173.4	-105.2	0	0	0	110.8	K94 E290	K94-Y199 PolarHBondContact O-N 2.86Å; Y199-E290 WeakPolarHBondContact CE2-OE2 3.43Å; Y199-E290 VanDerWaalsContact CZ-OE2 3.3Å; Y199-E290 PolarHBondContact OH-OE2 3.18Å
200	P	90.2	Very high	85.5	Confident	1 Å²	1	29.4 Å²	29.4	1%	0.006	14%	0.144	C	C	.	.	S	Bend	cis	-68.6	157.7	-13.8	30.9	-39.8	0	0	0	112.9	P95 M96 Y202 G283 Y284 E290	P95-P200 CarbonylContact C-O 3.53Å; P95-P200 VanDerWaalsContact CA-O 3.27Å; P95-P200 WeakPolarHBondContact CA-O 3.03Å; P95-P200 HydrophobicContact CB-CG 4.17Å; M96-P200 PolarHBondContact N-O 3.06Å; P200-Y202 HydrophobicContact CB-CD2 4.46Å; P200-Y202 HydrophobicContact CB-CE2 3.76Å; P200-Y202 HydrophobicContact CG-CD2 4.47Å; P200-Y202 HydrophobicContact CG-CE2 3.57Å; P200-G283 VanDerWaalsContact CG-O 3.3Å; P200-G283 WeakPolarHBondContact CG-O 3.28Å; P200-Y284 HydrophobicContact CB-CD1 4.48Å; P200-Y284 HydrophobicContact CB-CE1 4.45Å; P200-Y284 HydrophobicContact CG-CD1 3.65Å; P200-Y284 HydrophobicContact CG-CE1 3.69Å; P200-Y284 HydrophobicContact CG-CG 4.39Å; P200-E290 HydrophobicContact CB-CG 3.85Å
201	I	90.8	Very high	85.6	Confident	2 Å²	2	29 Å²	29	1%	0.01	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	132.6	163.5	-55.2	-176.7	0	0	0	107.8	M96 I98 V191 L194 T195 Y198 E290 S291	M96-I201 HydrophobicContact CB-CG1 4.36Å; M96-I201 HydrophobicContact CB-CG2 4.49Å; M96-I201 CarbonylContact O-C 3.57Å; M96-I201 VanDerWaalsContact O-CA 3.31Å; M96-I201 WeakPolarHBondContact O-CA 3.42Å; I98-I201 HydrophobicContact CG2-CG2 4.41Å; V191-I201 HydrophobicContact CG1-CG2 4.21Å; L194-I201 VanDerWaalsContact C-CD1 3.5Å; L194-I201 HydrophobicContact CB-CD1 3.71Å; T195-I201 HydrophobicContact CG2-CD1 4.22Å; Y198-I201 WeakPolarHBondContact O-CG1 3.19Å; I201-E290 CarbonylContact O-C 3.47Å; I201-E290 WeakPolarHBondContact O-CA 3.39Å; I201-S291 PolarHBondContact O-N 3.25Å
202	Y	92	Very high	85.5	Confident	4 Å²	4	36.6 Å²	36.6	2%	0.016	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	119.2	169.5	-54.8	-84.1	0	0	0	110.3	M96 I97 I98 P200 F279 I285 W288 E290	M96-Y202 PolarHBondContact O-N 2.92Å; I97-Y202 WeakPolarHBondContact CA-O 2.94Å; I97-Y202 HydrophobicContact CG1-CD2 4.18Å; I98-Y202 PolarHBondContact N-O 3.22Å; I98-Y202 VanDerWaalsContact O-O 3.14Å; P200-Y202 HydrophobicContact CB-CD2 4.46Å; P200-Y202 HydrophobicContact CB-CE2 3.76Å; P200-Y202 HydrophobicContact CG-CD2 4.47Å; P200-Y202 HydrophobicContact CG-CE2 3.57Å; Y202-F279 HydrophobicContact CD2-CD2 4.22Å; Y202-F279 HydrophobicContact CD2-CE2 4.24Å; Y202-F279 HydrophobicContact CE2-CD2 4.22Å; Y202-F279 HydrophobicContact CE2-CE2 4.39Å; Y202-I285 HydrophobicContact CD2-CD1 4.02Å; Y202-I285 HydrophobicContact CD2-CG1 4.33Å; Y202-I285 HydrophobicContact CE1-CB 4.34Å; Y202-I285 HydrophobicContact CE2-CB 4.31Å; Y202-I285 HydrophobicContact CE2-CD1 4.41Å; Y202-I285 HydrophobicContact CE2-CG1 4.21Å; Y202-I285 HydrophobicContact CG-CD1 4.2Å; Y202-I285 PolarHBondContact OH-N 3.18Å; Y202-I285 VanDerWaalsContact OH-N 3.09Å; Y202-W288 HydrophobicContact CD1-CB 3.65Å; Y202-W288 HydrophobicContact CE1-CB 4.02Å; Y202-W288 WeakPolarHBondContact CE1-O 3.19Å; Y202-W288 HydrophobicContact CG-CB 4.43Å; Y202-W288 HydrophobicContact CG-CE3 4.41Å; Y202-E290 HydrophobicContact CD1-CG 4.26Å; Y202-E290 HydrophobicContact CE1-CB 4.44Å; Y202-E290 HydrophobicContact CE1-CG 3.55Å
203	Q	92.9	Very high	85.6	Confident	4 Å²	4	35.2 Å²	35.2	2%	0.019	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	129	169.7	-169.9	174	4.6	0	0	110.1	I98 S188 V191 S291 V298 N299	I98-Q203 HydrophobicContact CG2-CB 4.33Å; I98-Q203 HydrophobicContact CG2-CG 4.33Å; I98-Q203 CarbonylContact O-C 3.59Å; I98-Q203 WeakPolarHBondContact O-CA 3.49Å; S188-Q203 PolarHBondContact OG-NE2 2.91Å; V191-Q203 HydrophobicContact CG2-CG 4.42Å; Q203-S291 WeakPolarHBondContact CB-OG 3.19Å; Q203-S291 PolarHBondContact N-OG 3.07Å; Q203-V298 HydrophobicContact CB-CG1 4.27Å; Q203-V298 HydrophobicContact CG-CG1 3.8Å; Q203-N299 WeakPolarHBondContact O-CB 3.12Å; Q203-N299 PolarHBondContact O-N 2.5Å; Q203-N299 PolarHBondContact O-ND2 2.95Å
204	Y	92.5	Very high	85.7	Confident	22 Å²	22	32.2 Å²	32.2	9%	0.086	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	154.2	170.4	77.5	-93.2	0	0	0	112.3	I97 I98 G99 Q100 L206 D230 M276 W288 N299 I301	I97-Y204 HydrophobicContact CG2-CD1 3.88Å; I97-Y204 HydrophobicContact CG2-CE1 4.14Å; I98-Y204 WeakPolarHBondContact O-CD1 3.46Å; I98-Y204 PolarHBondContact O-N 3.46Å; G99-Y204 VanDerWaalsContact CA-CE1 3.45Å; G99-Y204 WeakPolarHBondContact CA-O 3.14Å; Q100-Y204 PolarHBondContact N-O 2.8Å; Y204-L206 HydrophobicContact CD2-CB 4.38Å; Y204-L206 HydrophobicContact CE2-CB 4.3Å; Y204-D230 PolarHBondContact OH-OD2 3.11Å; Y204-M276 HydrophobicContact CE1-CE 4.4Å; Y204-W288 AromaticContact CD1-CH2 3.96Å; Y204-W288 HydrophobicContact CD1-CH2 3.96Å; Y204-W288 AromaticContact CD1-CZ3 3.94Å; Y204-W288 HydrophobicContact CD1-CZ3 3.94Å; Y204-W288 AromaticContact CG-CH2 3.97Å; Y204-W288 HydrophobicContact CG-CH2 3.97Å; Y204-W288 HydrophobicContact CG-CZ3 4.15Å; Y204-N299 CarbonylContact C-O 3.59Å; Y204-N299 VanDerWaalsContact CA-O 3.24Å; Y204-N299 WeakPolarHBondContact CA-O 3.46Å; Y204-N299 WeakPolarHBondContact CB-O 3.28Å; Y204-I301 HydrophobicContact CD2-CD1 4.36Å
205	Y	91.4	Very high	85.6	Confident	3 Å²	3	32.5 Å²	32.5	1%	0.012	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	117.4	173.6	-174.1	-84.5	0	0	0	107.4	Q100 S102 T184 N299 L300 I301 M313 R316	Q100-Y205 HydrophobicContact CG-CD2 3.57Å; Q100-Y205 HydrophobicContact CG-CE2 4.17Å; Q100-Y205 HydrophobicContact CG-CG 4.39Å; Q100-Y205 WeakPolarHBondContact O-CA 3.44Å; S102-Y205 VanDerWaalsContact CA-CZ 3.45Å; S102-Y205 WeakPolarHBondContact CA-OH 3.49Å; S102-Y205 VanDerWaalsContact CB-CE1 3.4Å; S102-Y205 VanDerWaalsContact CB-CZ 3.48Å; S102-Y205 WeakPolarHBondContact CB-OH 3.49Å; S102-Y205 PolarHBondContact O-OH 2.87Å; T184-Y205 HydrophobicContact CG2-CE2 4.44Å; Y205-N299 PolarHBondContact N-O 3.15Å; Y205-L300 HydrophobicContact CD1-CD1 3.47Å; Y205-L300 VanDerWaalsContact CD1-CD1 3.47Å; Y205-L300 HydrophobicContact CE1-CD1 4.23Å; Y205-L300 HydrophobicContact CG-CD1 4.36Å; Y205-L300 WeakPolarHBondContact O-CA 3.24Å; Y205-L300 WeakPolarHBondContact O-CD1 3.44Å; Y205-I301 PolarHBondContact O-N 2.84Å; Y205-M313 HydrophobicContact CD2-CE 3.22Å; Y205-M313 HydrophobicContact CE2-CE 3.69Å; Y205-M313 HydrophobicContact CG-CE 3.82Å; Y205-R316 VanDerWaalsContact CZ-NH1 3.28Å; Y205-R316 PolarHBondContact OH-NH1 2.92Å
206	L	91.8	Very high	85.3	Confident	1 Å²	1	34.4 Å²	34.4	1%	0.005	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	122.7	-178.3	175.8	67.5	0	0	0	109.8	Q100 T101 S102 Y204 D230 L233 I268 I301	Q100-L206 PolarHBondContact O-N 2.94Å; T101-L206 CarbonylContact C-O 3.6Å; T101-L206 VanDerWaalsContact CA-O 3.31Å; T101-L206 WeakPolarHBondContact CA-O 3.28Å; T101-L206 HydrophobicContact CG2-CB 4.41Å; T101-L206 HydrophobicContact CG2-CD2 4.15Å; S102-L206 PolarHBondContact N-O 3.49Å; Y204-L206 HydrophobicContact CD2-CB 4.38Å; Y204-L206 HydrophobicContact CE2-CB 4.3Å; L206-D230 HydrophobicContact CD2-CB 3.76Å; L206-L233 HydrophobicContact CD1-CD1 4.22Å; L206-L233 HydrophobicContact CD2-CD1 3.64Å; L206-I268 HydrophobicContact CD1-CG2 4.2Å; L206-I301 HydrophobicContact CD1-CB 3.77Å; L206-I301 HydrophobicContact CD1-CG2 3.61Å
207	T	88.6	Confident	85.3	Confident	14 Å²	14	35 Å²	35	9%	0.086	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	165.5	174.9	-163	0	0	0	0	111.1	S102 L300 I301 E302	S102-T207 WeakPolarHBondContact CB-OG1 3.04Å; S102-T207 PolarHBondContact OG-OG1 2.81Å; T207-L300 HydrophobicContact CG2-CD1 3.64Å; T207-L300 HydrophobicContact CG2-CD2 4.31Å; T207-L300 HydrophobicContact CG2-CG 4.34Å; T207-I301 PolarHBondContact N-O 3.16Å; T207-E302 HydrophobicContact CG2-CB 3.55Å; T207-E302 HydrophobicContact CG2-CG 3.62Å
208	G	81.8	Confident	85.2	Confident	12 Å²	12	35.4 Å²	35.4	12%	0.124	17%	0.169	C	C	.	.			trans	150.3	161.1	179.8	0	0	0	0	0	111	A225	G208-A225 PolarHBondContact O-N 3.1Å
209	I	85	Confident	84.8	Confident	103 Å²	103	40.3 Å²	40.3	53%	0.528	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	134.1	170.3	-61.6	170.8	0	0	0	106.7	S223 Y224	I209-S223 CarbonylContact C-O 3.54Å; I209-S223 WeakPolarHBondContact CA-O 3.41Å; I209-S223 WeakPolarHBondContact CG2-O 3.26Å; I209-Y224 HydrophobicContact CG1-CD1 4.23Å
210	H	86.1	Confident	84.3	Confident	10 Å²	10	36.6 Å²	36.6	5%	0.046	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	172.2	171.1	53.5	71.5	0	0	0	108.9	F213 I222 S223 Y224 F226 W229	H210-F213 AromaticContact CE1-CD1 3.79Å; H210-F213 AromaticContact CE1-CE1 3.36Å; H210-F213 WeakPolarHBondContact CE1-CE1 3.18Å; H210-F213 AromaticContact ND1-CD1 3.64Å; H210-F213 AromaticContact ND1-CE1 3.44Å; H210-F213 WeakPolarHBondContact ND1-CE1 3.24Å; H210-I222 PolarHBondContact CE1-O 2.98Å; H210-I222 VanDerWaalsContact CE1-O 3.27Å; H210-S223 PolarHBondContact N-O 3.03Å; H210-S223 WeakPolarHBondContact O-CA 2.73Å; H210-S223 VanDerWaalsContact O-CB 3.28Å; H210-S223 WeakPolarHBondContact O-CB 3.45Å; H210-Y224 VanDerWaalsContact NE2-C 3.33Å; H210-Y224 PolarHBondContact NE2-O 2.9Å; H210-F226 AromaticContact CE1-CD1 3.92Å; H210-F226 AromaticContact CE1-CE1 3.93Å; H210-F226 AromaticContact NE2-CD1 3.5Å; H210-F226 AromaticContact NE2-CE1 3.65Å; H210-W229 HydrophobicContact CB-CH2 3.91Å; H210-W229 HydrophobicContact CB-CZ2 3.85Å; H210-W229 AromaticContact CD2-CD2 3.75Å; H210-W229 AromaticContact CD2-CE2 3.47Å; H210-W229 VanDerWaalsContact CD2-CE2 3.47Å; H210-W229 AromaticContact CD2-CE3 3.98Å; H210-W229 AromaticContact CD2-CH2 3.74Å; H210-W229 AromaticContact CD2-CZ2 3.48Å; H210-W229 VanDerWaalsContact CD2-CZ2 3.48Å; H210-W229 WeakPolarHBondContact CD2-CZ2 3.22Å; H210-W229 AromaticContact CD2-CZ3 3.97Å; H210-W229 AromaticContact CD2-NE1 3.98Å; H210-W229 AromaticContact CG-CH2 3.83Å; H210-W229 AromaticContact CG-CZ2 3.87Å; H210-W229 AromaticContact NE2-CD2 3.98Å
211	R	84.7	Confident	84	Confident	24 Å²	24	42.4 Å²	42.4	9%	0.091	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50.9	150.9	171.5	67.7	-178.9	57.9	-176	1.1	111.4	F213 D243 F244 N258 E261	R211-F213 HydrophobicContact CG-CD1 4.4Å; R211-F213 WeakPolarHBondContact O-CD1 3.4Å; R211-F213 PolarHBondContact O-N 3.16Å; R211-D243 WeakPolarHBondContact CD-O 3.34Å; R211-D243 PolarHBondContact NH1-O 3.45Å; R211-F244 HydrophobicContact CG-CE1 3.83Å; R211-F244 HydrophobicContact CG-CE2 4.31Å; R211-F244 HydrophobicContact CG-CZ 3.68Å; R211-N258 PolarHBondContact NH1-OD1 3.49Å; R211-N258 PolarHBondContact NH2-OD1 2.96Å; R211-E261 WeakPolarHBondContact CB-OE1 3.29Å; R211-E261 WeakPolarHBondContact CG-OE1 3.18Å; R211-E261 IonicContact CZ-OE2 3.92Å; R211-E261 PolarHBondContact N-OE1 2.75Å; R211-E261 IonicContact NE-OE1 2.7Å; R211-E261 PolarHBondContact NE-OE1 3.25Å; R211-E261 IonicContact NE-OE2 3.43Å; R211-E261 PolarHBondContact NE-OE2 3.01Å; R211-E261 IonicContact NH2-OE2 2.75Å; R211-E261 PolarHBondContact NH2-OE2 3.35Å
212	R	85.6	Confident	83.7	Confident	163 Å²	163	42.7 Å²	42.7	62%	0.615	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-76.7	117	177.8	-173.8	170.8	-172	159.2	4.5	110.5	Y221 I222	R212-Y221 PolarHBondContact NE-O 2.87Å; R212-Y221 PolarHBondContact NH2-O 2.78Å; R212-I222 CarbonylContact C-O 3.53Å; R212-I222 VanDerWaalsContact CA-O 3.28Å; R212-I222 WeakPolarHBondContact CA-O 3.3Å
213	F	86.1	Confident	83.6	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	169.3	-179.1	80	-80.5	0	0	0	112.4	H210 R211 P215 Y221 I222 F226 W229 M232 H241 D243 F244	H210-F213 AromaticContact CE1-CD1 3.79Å; H210-F213 AromaticContact CE1-CE1 3.36Å; H210-F213 WeakPolarHBondContact CE1-CE1 3.18Å; H210-F213 AromaticContact ND1-CD1 3.64Å; H210-F213 AromaticContact ND1-CE1 3.44Å; H210-F213 WeakPolarHBondContact ND1-CE1 3.24Å; R211-F213 HydrophobicContact CG-CD1 4.4Å; R211-F213 WeakPolarHBondContact O-CD1 3.4Å; R211-F213 PolarHBondContact O-N 3.16Å; F213-P215 HydrophobicContact CD2-CB 4.34Å; F213-P215 VanDerWaalsContact CE2-CA 3.47Å; F213-P215 HydrophobicContact CE2-CB 3.59Å; F213-P215 HydrophobicContact CE2-CG 4.49Å; F213-P215 HydrophobicContact CZ-CB 3.96Å; F213-P215 VanDerWaalsContact O-CD 3.29Å; F213-P215 WeakPolarHBondContact O-CD 3.4Å; F213-Y221 CarbonylContact O-C 3.51Å; F213-Y221 WeakPolarHBondContact O-CA 3.2Å; F213-I222 PolarHBondContact N-O 3.45Å; F213-I222 PolarHBondContact O-N 3.46Å; F213-F226 AromaticContact CE1-CE1 3.93Å; F213-F226 HydrophobicContact CE1-CE1 3.93Å; F213-F226 AromaticContact CZ-CE1 3.66Å; F213-F226 HydrophobicContact CZ-CE1 3.66Å; F213-F226 AromaticContact CZ-CZ 3.89Å; F213-F226 HydrophobicContact CZ-CZ 3.89Å; F213-W229 HydrophobicContact CE1-CE3 4.46Å; F213-W229 AromaticContact CE1-CZ3 3.86Å; F213-W229 HydrophobicContact CE1-CZ3 3.86Å; F213-W229 HydrophobicContact CZ-CE3 4.33Å; F213-W229 AromaticContact CZ-CZ3 3.87Å; F213-W229 HydrophobicContact CZ-CZ3 3.87Å; F213-M232 HydrophobicContact CE1-CE 4.28Å; F213-M232 HydrophobicContact CE2-CE 3.67Å; F213-M232 HydrophobicContact CE2-SD 4.01Å; F213-M232 HydrophobicContact CZ-CE 3.41Å; F213-M232 VanDerWaalsContact CZ-CE 3.41Å; F213-M232 HydrophobicContact CZ-SD 3.58Å; F213-M232 VanDerWaalsContact CZ-SD 3.58Å; F213-H241 AromaticContact CD2-CE1 3.64Å; F213-H241 AromaticContact CE2-CE1 3.94Å; F213-D243 HydrophobicContact CB-CB 3.63Å; F213-D243 WeakPolarHBondContact CB-OD2 3.41Å; F213-D243 HydrophobicContact CD2-CB 4.31Å; F213-D243 HydrophobicContact CG-CB 4.27Å; F213-F244 AromaticContact CD1-CE2 3.96Å; F213-F244 HydrophobicContact CD1-CE2 3.96Å; F213-F244 HydrophobicContact CD1-CZ 4.2Å; F213-F244 HydrophobicContact CD2-CE2 4.26Å; F213-F244 AromaticContact CE1-CE2 3.93Å; F213-F244 HydrophobicContact CE1-CE2 3.93Å; F213-F244 HydrophobicContact CE1-CZ 4.11Å; F213-F244 HydrophobicContact CE2-CE2 4.21Å; F213-F244 HydrophobicContact CG-CE2 4.14Å; F213-F244 HydrophobicContact CZ-CE2 4.08Å
214	D	82.6	Confident	83.4	Confident	12 Å²	12	44.8 Å²	44.8	6%	0.064	22%	0.224	C	C	.	.			trans	-104.9	93.6	179.9	-175.8	-0.1	0	0	0	110.5	Y216 S217 L218 N219 Y221	D214-Y216 PolarHBondContact O-N 2.94Å; D214-Y216 VanDerWaalsContact O-N 3.13Å; D214-Y216 PolarHBondContact OD1-N 2.85Å; D214-S217 VanDerWaalsContact CG-CA 3.47Å; D214-S217 PolarHBondContact O-N 2.94Å; D214-S217 PolarHBondContact OD1-N 3.36Å; D214-S217 VanDerWaalsContact OD2-CA 3.22Å; D214-S217 WeakPolarHBondContact OD2-CA 3Å; D214-L218 PolarHBondContact OD1-N 3.39Å; D214-L218 PolarHBondContact OD2-N 3.24Å; D214-N219 VanDerWaalsContact OD2-CA 3.24Å; D214-N219 WeakPolarHBondContact OD2-CA 3.37Å; D214-N219 PolarHBondContact OD2-N 2.98Å; D214-Y221 HydrophobicContact CB-CD1 4.18Å; D214-Y221 HydrophobicContact CB-CE1 4.06Å; D214-Y221 HydrophobicContact CB-CE2 4.47Å; D214-Y221 HydrophobicContact CB-CG 4.43Å
215	P	80.2	Confident	83.4	Confident	19 Å²	19	43.8 Å²	43.8	12%	0.123	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.2	-170.1	26	-35.3	0	0	0	114.4	I107 F213 I222 F226	I107-P215 HydrophobicContact CG2-CG 4.09Å; F213-P215 HydrophobicContact CD2-CB 4.34Å; F213-P215 VanDerWaalsContact CE2-CA 3.47Å; F213-P215 HydrophobicContact CE2-CB 3.59Å; F213-P215 HydrophobicContact CE2-CG 4.49Å; F213-P215 HydrophobicContact CZ-CB 3.96Å; F213-P215 VanDerWaalsContact O-CD 3.29Å; F213-P215 WeakPolarHBondContact O-CD 3.4Å; P215-I222 HydrophobicContact CG-CG2 3.93Å; P215-F226 HydrophobicContact CB-CD2 4.47Å; P215-F226 HydrophobicContact CB-CE1 4.02Å; P215-F226 HydrophobicContact CB-CE2 3.6Å; P215-F226 HydrophobicContact CB-CZ 3.34Å; P215-F226 HydrophobicContact CG-CD1 4.44Å; P215-F226 HydrophobicContact CG-CD2 4.12Å; P215-F226 HydrophobicContact CG-CE1 4.06Å; P215-F226 HydrophobicContact CG-CE2 3.73Å; P215-F226 HydrophobicContact CG-CZ 3.71Å
216	Y	79.6	Confident	83.4	Confident	65 Å²	65	43.7 Å²	43.7	26%	0.255	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-124.3	7.3	-174	-59.2	-55.9	0	0	0	113.2	W33 I107 D214 L218 F226 H227	W33-Y216 HydrophobicContact CH2-CD1 4.38Å; I107-Y216 HydrophobicContact CB-CD2 4.44Å; I107-Y216 HydrophobicContact CB-CE2 4.37Å; I107-Y216 HydrophobicContact CD1-CD2 4.14Å; I107-Y216 HydrophobicContact CD1-CE2 3.56Å; I107-Y216 HydrophobicContact CG2-CD2 4.09Å; I107-Y216 HydrophobicContact CG2-CE2 3.83Å; D214-Y216 PolarHBondContact O-N 2.94Å; D214-Y216 VanDerWaalsContact O-N 3.13Å; D214-Y216 PolarHBondContact OD1-N 2.85Å; Y216-L218 PolarHBondContact O-N 3.11Å; Y216-F226 HydrophobicContact CE2-CD2 4.31Å; Y216-F226 HydrophobicContact CE2-CE2 4.16Å; Y216-H227 PolarHBondContact OH-O 3.13Å
217	S	75.5	Confident	83.3	Confident	94 Å²	94	47.8 Å²	47.8	66%	0.657	24%	0.238	S	C	*	.	S	Bend	trans	56.5	35.1	-175.1	-56.7	0	0	0	0	113.4	D214	D214-S217 VanDerWaalsContact CG-CA 3.47Å; D214-S217 PolarHBondContact O-N 2.94Å; D214-S217 PolarHBondContact OD1-N 3.36Å; D214-S217 VanDerWaalsContact OD2-CA 3.22Å; D214-S217 WeakPolarHBondContact OD2-CA 3Å
218	L	69.4	Low	83.5	Confident	40 Å²	40	47.9 Å²	47.9	21%	0.209	24%	0.242	C	C	.	.	S	Bend	trans	-100.6	12.8	-177.3	-61.4	-178	0	0	0	113.6	E37 I41 F45 D214 Y216 S220	E37-L218 HydrophobicContact CG-CD2 4.49Å; I41-L218 HydrophobicContact CD1-CD2 3.72Å; I41-L218 HydrophobicContact CG1-CD2 3.55Å; F45-L218 HydrophobicContact CD2-CD1 3.72Å; F45-L218 HydrophobicContact CE2-CD1 3.29Å; F45-L218 HydrophobicContact CZ-CD1 4.04Å; D214-L218 PolarHBondContact OD1-N 3.39Å; D214-L218 PolarHBondContact OD2-N 3.24Å; Y216-L218 PolarHBondContact O-N 3.11Å; L218-S220 PolarHBondContact O-N 3.5Å
219	N	71.5	Confident	84	Confident	141 Å²	141	47.6 Å²	47.6	75%	0.754	24%	0.237	S	C	*	.	S	Bend	trans	58	29.6	-167.3	-61.8	-55.1	0	0	0	113.4	D214	D214-N219 VanDerWaalsContact OD2-CA 3.24Å; D214-N219 WeakPolarHBondContact OD2-CA 3.37Å; D214-N219 PolarHBondContact OD2-N 2.98Å
220	S	72.5	Confident	84.4	Confident	35 Å²	35	44.4 Å²	44.4	25%	0.245	22%	0.221	C	C	.	.			trans	-113.3	81.3	-178.1	-74.8	0	0	0	0	110.6	L218 I222	L218-S220 PolarHBondContact O-N 3.5Å; S220-I222 PolarHBondContact O-N 2.9Å
221	Y	82.3	Confident	84.6	Confident	123 Å²	123	46.1 Å²	46.1	48%	0.482	24%	0.237	S	C	.	.			trans	-77	122.1	-177.7	-73.2	-91.1	0	0	0	112.8	R212 F213 D214	R212-Y221 PolarHBondContact NE-O 2.87Å; R212-Y221 PolarHBondContact NH2-O 2.78Å; F213-Y221 CarbonylContact O-C 3.51Å; F213-Y221 WeakPolarHBondContact O-CA 3.2Å; D214-Y221 HydrophobicContact CB-CD1 4.18Å; D214-Y221 HydrophobicContact CB-CE1 4.06Å; D214-Y221 HydrophobicContact CB-CE2 4.47Å; D214-Y221 HydrophobicContact CB-CG 4.43Å
222	I	86.1	Confident	84.9	Confident	7 Å²	7	45.6 Å²	45.6	4%	0.036	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.5	-173	-179	148.5	0	0	0	113.9	S106 H210 R212 F213 P215 S220 Y224 F226	S106-I222 WeakPolarHBondContact OG-CD1 3.38Å; H210-I222 PolarHBondContact CE1-O 2.98Å; H210-I222 VanDerWaalsContact CE1-O 3.27Å; R212-I222 CarbonylContact C-O 3.53Å; R212-I222 VanDerWaalsContact CA-O 3.28Å; R212-I222 WeakPolarHBondContact CA-O 3.3Å; F213-I222 PolarHBondContact N-O 3.45Å; F213-I222 PolarHBondContact O-N 3.46Å; P215-I222 HydrophobicContact CG-CG2 3.93Å; S220-I222 PolarHBondContact O-N 2.9Å; I222-Y224 HydrophobicContact CD1-CD2 4.33Å; I222-Y224 HydrophobicContact CG1-CD2 4.17Å; I222-F226 HydrophobicContact CD1-CB 3.75Å; I222-F226 HydrophobicContact CG1-CB 4.47Å; I222-F226 HydrophobicContact CG2-CD1 3.81Å; I222-F226 HydrophobicContact CG2-CE1 4.35Å; I222-F226 HydrophobicContact CG2-CG 4.26Å
223	S	88.6	Confident	85.2	Confident	24 Å²	24	37.8 Å²	37.8	17%	0.168	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	5.2	178	52.1	0	0	0	0	114.8	I209 H210	I209-S223 CarbonylContact C-O 3.54Å; I209-S223 WeakPolarHBondContact CA-O 3.41Å; I209-S223 WeakPolarHBondContact CG2-O 3.26Å; H210-S223 PolarHBondContact N-O 3.03Å; H210-S223 WeakPolarHBondContact O-CA 2.73Å; H210-S223 VanDerWaalsContact O-CB 3.28Å; H210-S223 WeakPolarHBondContact O-CB 3.45Å
224	Y	90.1	Very high	85.5	Confident	29 Å²	29	42.9 Å²	42.9	11%	0.114	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	156.7	-178	-43.9	-81.7	0	0	0	111	H103 D169 M171 I209 H210 I222 F226	H103-Y224 AromaticContact CD2-CG 3.73Å; H103-Y224 AromaticContact CE1-CD1 3.94Å; H103-Y224 VanDerWaalsContact CG-CB 3.47Å; H103-Y224 AromaticContact NE2-CD1 3.76Å; H103-Y224 AromaticContact NE2-CG 3.76Å; D169-Y224 VanDerWaalsContact CG-OH 3.26Å; D169-Y224 PolarHBondContact OD1-OH 3.15Å; D169-Y224 PolarHBondContact OD2-OH 3.16Å; M171-Y224 HydrophobicContact CG-CE2 4.44Å; I209-Y224 HydrophobicContact CG1-CD1 4.23Å; H210-Y224 VanDerWaalsContact NE2-C 3.33Å; H210-Y224 PolarHBondContact NE2-O 2.9Å; I222-Y224 HydrophobicContact CD1-CD2 4.33Å; I222-Y224 HydrophobicContact CG1-CD2 4.17Å; Y224-F226 WeakPolarHBondContact O-CD1 3.47Å; Y224-F226 PolarHBondContact O-N 2.67Å
225	A	91.8	Very high	85.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.252	C	S	.	.			trans	-54.6	93.2	174.2	0	0	0	0	0	112.3	T101 H103 G208 W229	T101-A225 VanDerWaalsContact CB-O 3.26Å; T101-A225 WeakPolarHBondContact CB-O 3.4Å; T101-A225 PolarHBondContact OG1-O 2.92Å; H103-A225 CarbonylContact C-O 3.18Å; H103-A225 WeakPolarHBondContact CA-O 3.15Å; H103-A225 WeakPolarHBondContact CB-O 3.31Å; H103-A225 PolarHBondContact N-O 3.29Å; G208-A225 PolarHBondContact O-N 3.1Å; A225-W229 HydrophobicContact CB-CG 4.29Å
226	F	91.5	Very high	86.5	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.009	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-91.8	173.9	-172.8	64.3	-93.9	0	0	0	112.1	T101 H103 S106 I107 H210 F213 P215 Y216 I222 Y224 G228 W229 M232	T101-F226 WeakPolarHBondContact CB-O 3.48Å; T101-F226 VanDerWaalsContact CG2-O 3.27Å; T101-F226 WeakPolarHBondContact CG2-O 3.49Å; T101-F226 PolarHBondContact OG1-O 3.03Å; H103-F226 WeakPolarHBondContact O-CA 3.24Å; S106-F226 VanDerWaalsContact OG-CB 3.3Å; S106-F226 WeakPolarHBondContact OG-CB 3.33Å; I107-F226 HydrophobicContact CG2-CB 3.83Å; I107-F226 HydrophobicContact CG2-CD2 3.63Å; I107-F226 HydrophobicContact CG2-CG 3.89Å; H210-F226 AromaticContact CE1-CD1 3.92Å; H210-F226 AromaticContact CE1-CE1 3.93Å; H210-F226 AromaticContact NE2-CD1 3.5Å; H210-F226 AromaticContact NE2-CE1 3.65Å; F213-F226 AromaticContact CE1-CE1 3.93Å; F213-F226 HydrophobicContact CE1-CE1 3.93Å; F213-F226 AromaticContact CZ-CE1 3.66Å; F213-F226 HydrophobicContact CZ-CE1 3.66Å; F213-F226 AromaticContact CZ-CZ 3.89Å; F213-F226 HydrophobicContact CZ-CZ 3.89Å; P215-F226 HydrophobicContact CB-CD2 4.47Å; P215-F226 HydrophobicContact CB-CE1 4.02Å; P215-F226 HydrophobicContact CB-CE2 3.6Å; P215-F226 HydrophobicContact CB-CZ 3.34Å; P215-F226 HydrophobicContact CG-CD1 4.44Å; P215-F226 HydrophobicContact CG-CD2 4.12Å; P215-F226 HydrophobicContact CG-CE1 4.06Å; P215-F226 HydrophobicContact CG-CE2 3.73Å; P215-F226 HydrophobicContact CG-CZ 3.71Å; Y216-F226 HydrophobicContact CE2-CD2 4.31Å; Y216-F226 HydrophobicContact CE2-CE2 4.16Å; I222-F226 HydrophobicContact CD1-CB 3.75Å; I222-F226 HydrophobicContact CG1-CB 4.47Å; I222-F226 HydrophobicContact CG2-CD1 3.81Å; I222-F226 HydrophobicContact CG2-CE1 4.35Å; I222-F226 HydrophobicContact CG2-CG 4.26Å; Y224-F226 WeakPolarHBondContact O-CD1 3.47Å; Y224-F226 PolarHBondContact O-N 2.67Å; F226-G228 PolarHBondContact O-N 3Å; F226-G228 VanDerWaalsContact O-N 3.16Å; F226-W229 HydrophobicContact CD1-CB 4.1Å; F226-W229 HydrophobicContact CD1-CE3 4.38Å; F226-W229 HydrophobicContact CD2-CB 4.44Å; F226-W229 HydrophobicContact CE1-CB 4.08Å; F226-W229 HydrophobicContact CE1-CD2 4.14Å; F226-W229 AromaticContact CE1-CE3 3.49Å; F226-W229 HydrophobicContact CE1-CE3 3.49Å; F226-W229 VanDerWaalsContact CE1-CE3 3.49Å; F226-W229 HydrophobicContact CE1-CG 4.41Å; F226-W229 HydrophobicContact CE1-CZ3 4.26Å; F226-W229 HydrophobicContact CE2-CB 4.41Å; F226-W229 HydrophobicContact CG-CB 4.26Å; F226-W229 HydrophobicContact CZ-CB 4.21Å; F226-W229 AromaticContact CZ-CE3 3.83Å; F226-W229 HydrophobicContact CZ-CE3 3.83Å; F226-W229 WeakPolarHBondContact O-CB 3.24Å; F226-W229 PolarHBondContact O-N 2.79Å; F226-M232 HydrophobicContact CZ-SD 4.25Å
227	H	90.7	Very high	86.9	Confident	86 Å²	86	50.5 Å²	50.5	40%	0.398	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	117.9	176	-179.4	74.8	0	0	0	111.7	E104 I107 Y216	E104-H227 WeakPolarHBondContact O-CB 3.36Å; E104-H227 WeakPolarHBondContact OE2-CA 3.29Å; E104-H227 WeakPolarHBondContact OE2-CB 3.32Å; E104-H227 IonicContact OE2-CE1 3.24Å; E104-H227 IonicContact OE2-CG 2.96Å; E104-H227 IonicContact OE2-ND1 2.86Å; E104-H227 PolarHBondContact OE2-ND1 3.37Å; I107-H227 HydrophobicContact CD1-CB 4.01Å; Y216-H227 PolarHBondContact OH-O 3.13Å
228	G	90.9	Very high	87.5	Confident	16 Å²	16	46 Å²	46	17%	0.165	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	1	-175.5	0	0	0	0	0	114.9	F226 D230 A231 M232	F226-G228 PolarHBondContact O-N 3Å; F226-G228 VanDerWaalsContact O-N 3.16Å; G228-D230 VanDerWaalsContact C-N 3.32Å; G228-D230 VanDerWaalsContact C-OD1 3.27Å; G228-D230 VanDerWaalsContact CA-OD1 3.28Å; G228-D230 WeakPolarHBondContact CA-OD1 3.16Å; G228-A231 WeakPolarHBondContact O-CB 3.19Å; G228-A231 PolarHBondContact O-N 3.16Å; G228-M232 PolarHBondContact O-N 3.15Å
229	W	93.3	Very high	88.4	Confident	7 Å²	7	47.1 Å²	47.1	3%	0.027	24%	0.238	C	C	.	.	H	α-helix	trans	-64.5	-36.8	173.5	177.7	-118.2	0	0	0	112.7	T101 H210 F213 A225 F226 A231 M232 L233 F244 L265	T101-W229 HydrophobicContact CG2-CB 4.27Å; H210-W229 HydrophobicContact CB-CH2 3.91Å; H210-W229 HydrophobicContact CB-CZ2 3.85Å; H210-W229 AromaticContact CD2-CD2 3.75Å; H210-W229 AromaticContact CD2-CE2 3.47Å; H210-W229 VanDerWaalsContact CD2-CE2 3.47Å; H210-W229 AromaticContact CD2-CE3 3.98Å; H210-W229 AromaticContact CD2-CH2 3.74Å; H210-W229 AromaticContact CD2-CZ2 3.48Å; H210-W229 VanDerWaalsContact CD2-CZ2 3.48Å; H210-W229 WeakPolarHBondContact CD2-CZ2 3.22Å; H210-W229 AromaticContact CD2-CZ3 3.97Å; H210-W229 AromaticContact CD2-NE1 3.98Å; H210-W229 AromaticContact CG-CH2 3.83Å; H210-W229 AromaticContact CG-CZ2 3.87Å; H210-W229 AromaticContact NE2-CD2 3.98Å; F213-W229 HydrophobicContact CE1-CE3 4.46Å; F213-W229 AromaticContact CE1-CZ3 3.86Å; F213-W229 HydrophobicContact CE1-CZ3 3.86Å; F213-W229 HydrophobicContact CZ-CE3 4.33Å; F213-W229 AromaticContact CZ-CZ3 3.87Å; F213-W229 HydrophobicContact CZ-CZ3 3.87Å; A225-W229 HydrophobicContact CB-CG 4.29Å; F226-W229 HydrophobicContact CD1-CB 4.1Å; F226-W229 HydrophobicContact CD1-CE3 4.38Å; F226-W229 HydrophobicContact CD2-CB 4.44Å; F226-W229 HydrophobicContact CE1-CB 4.08Å; F226-W229 HydrophobicContact CE1-CD2 4.14Å; F226-W229 AromaticContact CE1-CE3 3.49Å; F226-W229 HydrophobicContact CE1-CE3 3.49Å; F226-W229 VanDerWaalsContact CE1-CE3 3.49Å; F226-W229 HydrophobicContact CE1-CG 4.41Å; F226-W229 HydrophobicContact CE1-CZ3 4.26Å; F226-W229 HydrophobicContact CE2-CB 4.41Å; F226-W229 HydrophobicContact CG-CB 4.26Å; F226-W229 HydrophobicContact CZ-CB 4.21Å; F226-W229 AromaticContact CZ-CE3 3.83Å; F226-W229 HydrophobicContact CZ-CE3 3.83Å; F226-W229 WeakPolarHBondContact O-CB 3.24Å; F226-W229 PolarHBondContact O-N 2.79Å; W229-A231 VanDerWaalsContact C-N 3.34Å; W229-M232 HydrophobicContact CE3-CB 4.11Å; W229-M232 HydrophobicContact CE3-CG 3.93Å; W229-M232 HydrophobicContact CE3-SD 3.79Å; W229-M232 HydrophobicContact CZ3-CB 4.49Å; W229-M232 HydrophobicContact CZ3-CE 3.73Å; W229-M232 HydrophobicContact CZ3-CG 3.81Å; W229-M232 HydrophobicContact CZ3-SD 3.57Å; W229-M232 VanDerWaalsContact CZ3-SD 3.57Å; W229-M232 WeakPolarHBondContact O-CB 3.38Å; W229-M232 PolarHBondContact O-N 3.09Å; W229-L233 HydrophobicContact CD2-CD1 4.33Å; W229-L233 HydrophobicContact CD2-CG 4.41Å; W229-L233 HydrophobicContact CG-CD1 4.32Å; W229-L233 HydrophobicContact CZ2-CD1 4.29Å; W229-L233 HydrophobicContact CZ2-CD2 4.1Å; W229-L233 HydrophobicContact CZ2-CG 4.15Å; W229-L233 VanDerWaalsContact NE1-CD1 3.35Å; W229-L233 WeakPolarHBondContact O-CG 3.35Å; W229-L233 PolarHBondContact O-N 2.99Å; W229-F244 HydrophobicContact CH2-CZ 4.39Å; W229-L265 HydrophobicContact CH2-CD1 4.46Å; W229-L265 HydrophobicContact CH2-CD2 3.87Å; W229-L265 HydrophobicContact CZ2-CD2 3.54Å
230	D	92.8	Very high	89.1	Confident	36 Å²	36	46.5 Å²	46.5	19%	0.193	23%	0.233	C	C	.	.	H	α-helix	trans	-57	-44.2	169.6	58.9	-23.7	0	0	0	112.3	T101 Y204 L206 G228 L233 Y234	T101-D230 HydrophobicContact CG2-CB 4.1Å; Y204-D230 PolarHBondContact OH-OD2 3.11Å; L206-D230 HydrophobicContact CD2-CB 3.76Å; G228-D230 VanDerWaalsContact C-N 3.32Å; G228-D230 VanDerWaalsContact C-OD1 3.27Å; G228-D230 VanDerWaalsContact CA-OD1 3.28Å; G228-D230 WeakPolarHBondContact CA-OD1 3.16Å; D230-L233 PolarHBondContact O-N 2.95Å; D230-Y234 VanDerWaalsContact O-CB 3.25Å; D230-Y234 WeakPolarHBondContact O-CB 3.25Å; D230-Y234 PolarHBondContact O-N 2.76Å
231	A	91	Very high	89.7	Confident	45 Å²	45	46.9 Å²	46.9	37%	0.372	23%	0.231	S	C	.	.	H	α-helix	trans	-65.6	-40.7	175.4	0	0	0	0	0	111.6	G228 W229 L233 Y234 L235	G228-A231 WeakPolarHBondContact O-CB 3.19Å; G228-A231 PolarHBondContact O-N 3.16Å; W229-A231 VanDerWaalsContact C-N 3.34Å; A231-L233 VanDerWaalsContact C-N 3.33Å; A231-L233 PolarHBondContact O-N 2.95Å; A231-Y234 PolarHBondContact O-N 2.96Å; A231-L235 VanDerWaalsContact O-CB 3.32Å; A231-L235 WeakPolarHBondContact O-CB 3.34Å; A231-L235 WeakPolarHBondContact O-CG 3.48Å; A231-L235 PolarHBondContact O-N 3.19Å
232	M	91.2	Very high	89.8	Confident	13 Å²	13	46.6 Å²	46.6	6%	0.064	24%	0.238	C	C	.	.	H	α-helix	trans	-62.2	-38.8	175.5	174.2	155.8	178.8	0	0	112.5	F213 F226 G228 W229 R236 T237 Y238 H241 F244	F213-M232 HydrophobicContact CE1-CE 4.28Å; F213-M232 HydrophobicContact CE2-CE 3.67Å; F213-M232 HydrophobicContact CE2-SD 4.01Å; F213-M232 HydrophobicContact CZ-CE 3.41Å; F213-M232 VanDerWaalsContact CZ-CE 3.41Å; F213-M232 HydrophobicContact CZ-SD 3.58Å; F213-M232 VanDerWaalsContact CZ-SD 3.58Å; F226-M232 HydrophobicContact CZ-SD 4.25Å; G228-M232 PolarHBondContact O-N 3.15Å; W229-M232 HydrophobicContact CE3-CB 4.11Å; W229-M232 HydrophobicContact CE3-CG 3.93Å; W229-M232 HydrophobicContact CE3-SD 3.79Å; W229-M232 HydrophobicContact CZ3-CB 4.49Å; W229-M232 HydrophobicContact CZ3-CE 3.73Å; W229-M232 HydrophobicContact CZ3-CG 3.81Å; W229-M232 HydrophobicContact CZ3-SD 3.57Å; W229-M232 VanDerWaalsContact CZ3-SD 3.57Å; W229-M232 WeakPolarHBondContact O-CB 3.38Å; W229-M232 PolarHBondContact O-N 3.09Å; M232-R236 CarbonylContact O-C 3.49Å; M232-R236 VanDerWaalsContact O-CA 3.26Å; M232-R236 WeakPolarHBondContact O-CA 3.49Å; M232-R236 PolarHBondContact O-N 2.91Å; M232-T237 WeakPolarHBondContact CA-OG1 3Å; M232-T237 VanDerWaalsContact CG-OG1 3.29Å; M232-T237 WeakPolarHBondContact CG-OG1 3.16Å; M232-T237 PolarHBondContact O-N 3.06Å; M232-Y238 VanDerWaalsContact CE-CB 3.45Å; M232-Y238 HydrophobicContact CG-CD1 4.49Å; M232-Y238 WeakPolarHBondContact O-CD1 3.35Å; M232-H241 HydrophobicContact CE-CB 4.29Å; M232-F244 HydrophobicContact CE-CD2 4.14Å; M232-F244 HydrophobicContact CE-CE2 3.58Å; M232-F244 HydrophobicContact CE-CZ 4.27Å
233	L	92.3	Very high	89.7	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-71.2	-46.9	173.7	-75.2	163.2	0	0	0	112.4	L206 W229 D230 A231 R236 Y238 L265 I268 S269 L272	L206-L233 HydrophobicContact CD1-CD1 4.22Å; L206-L233 HydrophobicContact CD2-CD1 3.64Å; W229-L233 HydrophobicContact CD2-CD1 4.33Å; W229-L233 HydrophobicContact CD2-CG 4.41Å; W229-L233 HydrophobicContact CG-CD1 4.32Å; W229-L233 HydrophobicContact CZ2-CD1 4.29Å; W229-L233 HydrophobicContact CZ2-CD2 4.1Å; W229-L233 HydrophobicContact CZ2-CG 4.15Å; W229-L233 VanDerWaalsContact NE1-CD1 3.35Å; W229-L233 WeakPolarHBondContact O-CG 3.35Å; W229-L233 PolarHBondContact O-N 2.99Å; D230-L233 PolarHBondContact O-N 2.95Å; A231-L233 VanDerWaalsContact C-N 3.33Å; A231-L233 PolarHBondContact O-N 2.95Å; L233-R236 PolarHBondContact O-N 3.49Å; L233-Y238 HydrophobicContact CD2-CD1 4.29Å; L233-Y238 HydrophobicContact CD2-CE1 4.04Å; L233-L265 HydrophobicContact CD2-CB 4.3Å; L233-L265 HydrophobicContact CD2-CD2 3.91Å; L233-I268 HydrophobicContact CD1-CG2 3.68Å; L233-I268 HydrophobicContact CD2-CB 4.19Å; L233-I268 HydrophobicContact CD2-CG2 4.05Å; L233-I268 HydrophobicContact CG-CG2 4.4Å; L233-S269 WeakPolarHBondContact O-CB 3.38Å; L233-S269 PolarHBondContact O-OG 3.48Å; L233-L272 HydrophobicContact CB-CD1 3.88Å; L233-L272 HydrophobicContact CD1-CD1 4.27Å
234	Y	90.7	Very high	89.4	Confident	106 Å²	106	46.8 Å²	46.8	42%	0.416	24%	0.237	S	C	.	.	H	α-helix	trans	-59.1	-49.9	-179.5	176.8	-106.6	0	0	0	111.3	D230 A231 R236 N273 M276	D230-Y234 VanDerWaalsContact O-CB 3.25Å; D230-Y234 WeakPolarHBondContact O-CB 3.25Å; D230-Y234 PolarHBondContact O-N 2.76Å; A231-Y234 PolarHBondContact O-N 2.96Å; Y234-R236 VanDerWaalsContact C-N 3.3Å; Y234-R236 PolarHBondContact O-N 3.21Å; Y234-N273 WeakPolarHBondContact CD2-OD1 3.3Å; Y234-N273 WeakPolarHBondContact CE2-OD1 3.25Å; Y234-N273 PolarHBondContact O-ND2 3.25Å; Y234-N273 PolarHBondContact O-OD1 3.47Å; Y234-M276 HydrophobicContact CD2-CG 4.15Å; Y234-M276 HydrophobicContact CE2-CB 3.8Å; Y234-M276 HydrophobicContact CE2-CG 3.87Å
235	L	91.6	Very high	89	Confident	117 Å²	117	49.1 Å²	49.1	61%	0.613	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.1	-3.7	179.4	-61.8	176.8	0	0	0	113.7	A231 T237	A231-L235 VanDerWaalsContact O-CB 3.32Å; A231-L235 WeakPolarHBondContact O-CB 3.34Å; A231-L235 WeakPolarHBondContact O-CG 3.48Å; A231-L235 PolarHBondContact O-N 3.19Å; L235-T237 HydrophobicContact CB-CG2 3.92Å; L235-T237 PolarHBondContact O-N 3.01Å
236	R	92.2	Very high	88.5	Confident	88 Å²	88	52.1 Å²	52.1	33%	0.332	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.1	32.8	-176.2	-59.5	-175.7	178.5	177.3	1.8	114.4	M232 L233 Y234 Y238 E239 S269 D270	M232-R236 CarbonylContact O-C 3.49Å; M232-R236 VanDerWaalsContact O-CA 3.26Å; M232-R236 WeakPolarHBondContact O-CA 3.49Å; M232-R236 PolarHBondContact O-N 2.91Å; L233-R236 PolarHBondContact O-N 3.49Å; Y234-R236 VanDerWaalsContact C-N 3.3Å; Y234-R236 PolarHBondContact O-N 3.21Å; R236-Y238 HydrophobicContact CB-CE1 4.06Å; R236-Y238 HydrophobicContact CG-CE1 4.11Å; R236-Y238 PolarHBondContact O-N 2.93Å; R236-Y238 VanDerWaalsContact O-N 3.13Å; R236-E239 HydrophobicContact CB-CG 4.23Å; R236-E239 WeakPolarHBondContact O-CB 3.46Å; R236-E239 PolarHBondContact O-N 2.88Å; R236-S269 WeakPolarHBondContact CG-OG 3.38Å; R236-S269 PolarHBondContact NE-OG 3.48Å; R236-S269 VanDerWaalsContact NE-OG 3.16Å; R236-D270 IonicContact CZ-OD1 3.57Å; R236-D270 IonicContact NH2-OD1 3.21Å; R236-D270 PolarHBondContact NH2-OD1 3.33Å
237	T	89.9	Confident	87.5	Confident	52 Å²	52	56.2 Å²	56.2	32%	0.319	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-65.4	-19.2	-179.2	55.4	0	0	0	0	112.4	M232 L235 E239 I240 H241	M232-T237 WeakPolarHBondContact CA-OG1 3Å; M232-T237 VanDerWaalsContact CG-OG1 3.29Å; M232-T237 WeakPolarHBondContact CG-OG1 3.16Å; M232-T237 PolarHBondContact O-N 3.06Å; L235-T237 HydrophobicContact CB-CG2 3.92Å; L235-T237 PolarHBondContact O-N 3.01Å; T237-E239 PolarHBondContact O-N 3.48Å; T237-I240 VanDerWaalsContact O-CG1 3.3Å; T237-I240 WeakPolarHBondContact O-CG1 3Å; T237-I240 PolarHBondContact O-N 3.18Å; T237-H241 WeakPolarHBondContact O-CB 3.46Å; T237-H241 PolarHBondContact O-N 3.32Å
238	Y	86.3	Confident	86.8	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-59.9	-24.2	169.9	66.1	-97.6	0	0	0	113.7	M232 L233 R236 I240 F244 L262 L265 R266	M232-Y238 VanDerWaalsContact CE-CB 3.45Å; M232-Y238 HydrophobicContact CG-CD1 4.49Å; M232-Y238 WeakPolarHBondContact O-CD1 3.35Å; L233-Y238 HydrophobicContact CD2-CD1 4.29Å; L233-Y238 HydrophobicContact CD2-CE1 4.04Å; R236-Y238 HydrophobicContact CB-CE1 4.06Å; R236-Y238 HydrophobicContact CG-CE1 4.11Å; R236-Y238 PolarHBondContact O-N 2.93Å; R236-Y238 VanDerWaalsContact O-N 3.13Å; Y238-I240 PolarHBondContact O-N 3.37Å; Y238-F244 WeakPolarHBondContact O-CB 3.46Å; Y238-F244 WeakPolarHBondContact O-CG 3.14Å; Y238-L262 HydrophobicContact CD2-CD2 3.92Å; Y238-L262 HydrophobicContact CE2-CD2 4.3Å; Y238-L265 HydrophobicContact CD1-CB 4.48Å; Y238-L265 HydrophobicContact CD2-CB 3.99Å; Y238-L265 HydrophobicContact CD2-CD1 3.77Å; Y238-L265 HydrophobicContact CE1-CB 4.14Å; Y238-L265 HydrophobicContact CE2-CB 3.62Å; Y238-L265 HydrophobicContact CE2-CD1 4.26Å; Y238-L265 HydrophobicContact CG-CB 4.44Å; Y238-L265 HydrophobicContact CG-CD1 4.01Å; Y238-L265 PolarHBondContact OH-O 3.42Å; Y238-R266 VanDerWaalsContact OH-CA 3.31Å; Y238-R266 WeakPolarHBondContact OH-CA 3.18Å; Y238-R266 PolarHBondContact OH-N 3.36Å
239	E	88.3	Confident	85.9	Confident	62 Å²	62	57 Å²	57	29%	0.29	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-74	-15.3	178.8	-61.8	-166.8	137.6	0	0	113.1	R236 T237 I245 R266	R236-E239 HydrophobicContact CB-CG 4.23Å; R236-E239 WeakPolarHBondContact O-CB 3.46Å; R236-E239 PolarHBondContact O-N 2.88Å; T237-E239 PolarHBondContact O-N 3.48Å; E239-I245 VanDerWaalsContact O-CG2 3.26Å; E239-I245 WeakPolarHBondContact O-CG2 3.46Å; E239-R266 WeakPolarHBondContact OE1-CG 3.45Å; E239-R266 IonicContact OE1-CZ 3.27Å; E239-R266 IonicContact OE1-NE 3.16Å; E239-R266 PolarHBondContact OE1-NE 3.33Å; E239-R266 IonicContact OE1-NH2 3.71Å; E239-R266 PolarHBondContact OE1-NH2 2.78Å
240	I	87.3	Confident	84.7	Confident	129 Å²	129	58.3 Å²	58.3	66%	0.662	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.4	1.4	-179.4	62.3	169	0	0	0	112.8	T237 Y238	T237-I240 VanDerWaalsContact O-CG1 3.3Å; T237-I240 WeakPolarHBondContact O-CG1 3Å; T237-I240 PolarHBondContact O-N 3.18Å; Y238-I240 PolarHBondContact O-N 3.37Å
241	H	84.8	Confident	83.3	Confident	43 Å²	43	64.1 Å²	64.1	20%	0.199	34%	0.335	C	S	.	.			trans	-77.2	134.2	-179.4	-166.6	-78.6	0	0	0	110.4	F213 M232 T237 D243 F244 I245	F213-H241 AromaticContact CD2-CE1 3.64Å; F213-H241 AromaticContact CE2-CE1 3.94Å; M232-H241 HydrophobicContact CE-CB 4.29Å; T237-H241 WeakPolarHBondContact O-CB 3.46Å; T237-H241 PolarHBondContact O-N 3.32Å; H241-D243 VanDerWaalsContact C-N 3.28Å; H241-D243 IonicContact CE1-OD2 3.43Å; H241-D243 PolarHBondContact CE1-OD2 3.43Å; H241-D243 PolarHBondContact ND1-N 3.21Å; H241-D243 IonicContact ND1-OD2 2.8Å; H241-D243 PolarHBondContact ND1-OD2 3.5Å; H241-D243 PolarHBondContact O-N 3.47Å; H241-F244 HydrophobicContact CB-CD2 3.96Å; H241-F244 WeakPolarHBondContact O-CA 3.17Å; H241-F244 WeakPolarHBondContact O-CB 3.01Å; H241-F244 PolarHBondContact O-N 3.35Å; H241-I245 WeakPolarHBondContact O-CG1 3.24Å; H241-I245 PolarHBondContact O-N 3.22Å
242	N	84.9	Confident	82.2	Confident	117 Å²	117	68.8 Å²	68.8	63%	0.626	35%	0.353	S	S	*	.	H	α-helix	trans	-52.8	-43.4	-175.1	-73.1	-16.2	0	0	0	112.6	F244 I245 D246	N242-F244 PolarHBondContact O-N 3.43Å; N242-I245 PolarHBondContact O-N 3.34Å; N242-I245 VanDerWaalsContact O-N 3.16Å; N242-D246 WeakPolarHBondContact O-CB 3.42Å; N242-D246 PolarHBondContact O-N 2.75Å
243	D	82.8	Confident	80.8	Confident	34 Å²	34	71.4 Å²	71.4	18%	0.182	37%	0.368	C	S	.	.	H	α-helix	trans	-62.1	-11.8	176.9	-65.5	-54.8	0	0	0	115.7	R211 F213 H241 L249	R211-D243 WeakPolarHBondContact CD-O 3.34Å; R211-D243 PolarHBondContact NH1-O 3.45Å; F213-D243 HydrophobicContact CB-CB 3.63Å; F213-D243 WeakPolarHBondContact CB-OD2 3.41Å; F213-D243 HydrophobicContact CD2-CB 4.31Å; F213-D243 HydrophobicContact CG-CB 4.27Å; H241-D243 VanDerWaalsContact C-N 3.28Å; H241-D243 IonicContact CE1-OD2 3.43Å; H241-D243 PolarHBondContact CE1-OD2 3.43Å; H241-D243 PolarHBondContact ND1-N 3.21Å; H241-D243 IonicContact ND1-OD2 2.8Å; H241-D243 PolarHBondContact ND1-OD2 3.5Å; H241-D243 PolarHBondContact O-N 3.47Å; D243-L249 HydrophobicContact CB-CD1 4.41Å; D243-L249 WeakPolarHBondContact OD1-CD1 2.98Å
244	F	82.2	Confident	79.8	Confident	1 Å²	1	76.6 Å²	76.6	0%	0.004	40%	0.395	C	S	.	.	H	α-helix	trans	-108.1	-19.5	178	-72.4	-92.3	0	0	0	113.8	R211 F213 W229 M232 Y238 H241 N242 L262 L265	R211-F244 HydrophobicContact CG-CE1 3.83Å; R211-F244 HydrophobicContact CG-CE2 4.31Å; R211-F244 HydrophobicContact CG-CZ 3.68Å; F213-F244 AromaticContact CD1-CE2 3.96Å; F213-F244 HydrophobicContact CD1-CE2 3.96Å; F213-F244 HydrophobicContact CD1-CZ 4.2Å; F213-F244 HydrophobicContact CD2-CE2 4.26Å; F213-F244 AromaticContact CE1-CE2 3.93Å; F213-F244 HydrophobicContact CE1-CE2 3.93Å; F213-F244 HydrophobicContact CE1-CZ 4.11Å; F213-F244 HydrophobicContact CE2-CE2 4.21Å; F213-F244 HydrophobicContact CG-CE2 4.14Å; F213-F244 HydrophobicContact CZ-CE2 4.08Å; W229-F244 HydrophobicContact CH2-CZ 4.39Å; M232-F244 HydrophobicContact CE-CD2 4.14Å; M232-F244 HydrophobicContact CE-CE2 3.58Å; M232-F244 HydrophobicContact CE-CZ 4.27Å; Y238-F244 WeakPolarHBondContact O-CB 3.46Å; Y238-F244 WeakPolarHBondContact O-CG 3.14Å; H241-F244 HydrophobicContact CB-CD2 3.96Å; H241-F244 WeakPolarHBondContact O-CA 3.17Å; H241-F244 WeakPolarHBondContact O-CB 3.01Å; H241-F244 PolarHBondContact O-N 3.35Å; N242-F244 PolarHBondContact O-N 3.43Å; F244-L262 HydrophobicContact CB-CD2 4.49Å; F244-L262 HydrophobicContact CD1-CD2 3.99Å; F244-L265 HydrophobicContact CD1-CD1 4.16Å; F244-L265 HydrophobicContact CE1-CD1 3.54Å; F244-L265 HydrophobicContact CZ-CD1 4.27Å
245	I	82.3	Confident	78.7	Confident	78 Å²	78	79 Å²	79	40%	0.4	41%	0.41	S	S	.	.	H	α-helix	trans	-115.6	-20.2	-176.3	68.4	175.6	0	0	0	113.8	E239 H241 N242 P247	E239-I245 VanDerWaalsContact O-CG2 3.26Å; E239-I245 WeakPolarHBondContact O-CG2 3.46Å; H241-I245 WeakPolarHBondContact O-CG1 3.24Å; H241-I245 PolarHBondContact O-N 3.22Å; N242-I245 PolarHBondContact O-N 3.34Å; N242-I245 VanDerWaalsContact O-N 3.16Å; I245-P247 WeakPolarHBondContact O-CD 3.43Å; I245-P247 VanDerWaalsContact O-N 3.15Å
246	D	80.5	Confident	77.5	Confident	62 Å²	62	81.5 Å²	81.5	33%	0.332	41%	0.413	S	S	.	.			trans	-63.4	113.6	-175.7	-174.4	-31.1	0	0	0	110.4	N242 S248 L249 L250	N242-D246 WeakPolarHBondContact O-CB 3.42Å; N242-D246 PolarHBondContact O-N 2.75Å; D246-S248 PolarHBondContact O-N 2.88Å; D246-S248 VanDerWaalsContact OD1-CB 3.31Å; D246-S248 WeakPolarHBondContact OD1-CB 3.28Å; D246-S248 PolarHBondContact OD1-N 3.11Å; D246-S248 PolarHBondContact OD1-OG 2.75Å; D246-S248 PolarHBondContact OD2-OG 3.41Å; D246-L249 HydrophobicContact CB-CB 4.38Å; D246-L249 HydrophobicContact CB-CD1 4.1Å; D246-L249 HydrophobicContact CB-CG 4.27Å; D246-L249 PolarHBondContact O-N 2.67Å; D246-L250 WeakPolarHBondContact O-CG 3.28Å; D246-L250 PolarHBondContact O-N 3.26Å
247	P	70.8	Confident	76.9	Confident	88 Å²	88	81.3 Å²	81.3	57%	0.571	42%	0.418	S	S	*	.	H	α-helix	trans	-55.3	-30.4	-177.7	-26	35.6	0	0	0	114.1	I245 L250 Q251	I245-P247 WeakPolarHBondContact O-CD 3.43Å; I245-P247 VanDerWaalsContact O-N 3.15Å; P247-L250 PolarHBondContact O-N 3.38Å; P247-Q251 VanDerWaalsContact O-CG 3.29Å; P247-Q251 WeakPolarHBondContact O-CG 3.27Å; P247-Q251 PolarHBondContact O-N 3.37Å
248	S	76.8	Confident	76.5	Confident	66 Å²	66	79.5 Å²	79.5	46%	0.462	41%	0.406	S	S	.	.	H	α-helix	trans	-67.4	-38	178.6	69.6	0	0	0	0	112.2	D246	D246-S248 PolarHBondContact O-N 2.88Å; D246-S248 VanDerWaalsContact OD1-CB 3.31Å; D246-S248 WeakPolarHBondContact OD1-CB 3.28Å; D246-S248 PolarHBondContact OD1-N 3.11Å; D246-S248 PolarHBondContact OD1-OG 2.75Å; D246-S248 PolarHBondContact OD2-OG 3.41Å
249	L	71.6	Confident	76.4	Confident	54 Å²	54	84.7 Å²	84.7	28%	0.283	43%	0.431	S	S	.	.	H	α-helix	trans	-75.7	-34.2	174.2	-65.3	175.3	0	0	0	111.5	D243 D246 Q251 L252 N253	D243-L249 HydrophobicContact CB-CD1 4.41Å; D243-L249 WeakPolarHBondContact OD1-CD1 2.98Å; D246-L249 HydrophobicContact CB-CB 4.38Å; D246-L249 HydrophobicContact CB-CD1 4.1Å; D246-L249 HydrophobicContact CB-CG 4.27Å; D246-L249 PolarHBondContact O-N 2.67Å; L249-Q251 VanDerWaalsContact C-N 3.32Å; L249-Q251 PolarHBondContact O-N 3.28Å; L249-L252 HydrophobicContact CD2-CD1 4.47Å; L249-L252 PolarHBondContact O-N 2.83Å; L249-N253 PolarHBondContact O-N 2.86Å
250	L	69.2	Low	76.3	Confident	34 Å²	34	87.7 Å²	87.7	18%	0.178	44%	0.443	C	S	.	.	H	α-helix	trans	-65.3	-34.8	176.4	-63.7	-173	0	0	0	112.9	D246 P247 L252 N253 N254 N258	D246-L250 WeakPolarHBondContact O-CG 3.28Å; D246-L250 PolarHBondContact O-N 3.26Å; P247-L250 PolarHBondContact O-N 3.38Å; L250-L252 VanDerWaalsContact C-N 3.3Å; L250-L252 PolarHBondContact O-N 3.1Å; L250-N253 PolarHBondContact O-N 2.78Å; L250-N254 PolarHBondContact O-N 3Å; L250-N258 HydrophobicContact CD2-CB 3.81Å; L250-N258 WeakPolarHBondContact CD2-ND2 3.19Å; L250-N258 WeakPolarHBondContact CD2-OD1 3.27Å
251	Q	62.6	Low	76.3	Confident	157 Å²	157	83.1 Å²	83.1	73%	0.734	42%	0.419	S	S	*	.	H	α-helix	trans	-63	-36.6	175	-77.4	174.2	10.5	0	0	112.1	P247 L249 N253	P247-Q251 VanDerWaalsContact O-CG 3.29Å; P247-Q251 WeakPolarHBondContact O-CG 3.27Å; P247-Q251 PolarHBondContact O-N 3.37Å; L249-Q251 VanDerWaalsContact C-N 3.32Å; L249-Q251 PolarHBondContact O-N 3.28Å; Q251-N253 VanDerWaalsContact C-N 3.33Å; Q251-N253 PolarHBondContact O-N 3.45Å
252	L	67.7	Low	76.6	Confident	143 Å²	143	82.1 Å²	82.1	75%	0.749	42%	0.415	S	S	*	.	H	α-helix	trans	-68.8	-31.2	176.9	-68.5	169.5	0	0	0	112.7	L249 L250	L249-L252 HydrophobicContact CD2-CD1 4.47Å; L249-L252 PolarHBondContact O-N 2.83Å; L250-L252 VanDerWaalsContact C-N 3.3Å; L250-L252 PolarHBondContact O-N 3.1Å
253	N	63	Low	76.9	Confident	69 Å²	69	79.2 Å²	79.2	37%	0.369	40%	0.399	S	S	.	.	H	α-helix	trans	-91.4	-2.8	-176.8	-82.4	-24	0	0	0	114.6	L249 L250 Q251 N257	L249-N253 PolarHBondContact O-N 2.86Å; L250-N253 PolarHBondContact O-N 2.78Å; Q251-N253 VanDerWaalsContact C-N 3.33Å; Q251-N253 PolarHBondContact O-N 3.45Å; N253-N257 VanDerWaalsContact O-CB 3.27Å; N253-N257 WeakPolarHBondContact O-CB 3.42Å; N253-N257 PolarHBondContact O-ND2 3Å
254	N	69.5	Low	77.3	Confident	108 Å²	108	80.1 Å²	80.1	58%	0.578	40%	0.402	S	S	*	.			trans	57.4	129.6	-161.8	-68.2	-21.2	0	0	0	112.6	L250 Y256 N257 N258	L250-N254 PolarHBondContact O-N 3Å; N254-Y256 PolarHBondContact O-N 3.23Å; N254-N257 PolarHBondContact O-N 3.16Å; N254-N258 PolarHBondContact O-N 2.89Å
255	Q	67.9	Low	77.8	Confident	157 Å²	157	80.4 Å²	80.4	73%	0.734	40%	0.404	S	S	*	.	H	α-helix	trans	-52.2	-36.9	-176.1	-174.1	176.7	-17.6	0	0	113.7	N257 N258 E259	Q255-N257 PolarHBondContact O-N 2.83Å; Q255-N258 WeakPolarHBondContact O-CB 3.25Å; Q255-N258 PolarHBondContact O-N 3.41Å; Q255-E259 PolarHBondContact O-N 3.32Å; Q255-E259 VanDerWaalsContact O-N 3.11Å
256	Y	67.5	Low	78.3	Confident	170 Å²	170	81 Å²	81	67%	0.667	40%	0.401	S	S	*	.	H	α-helix	trans	-60.6	-42.8	177.5	179.1	-98.9	0	0	0	113.3	N254 N258 E259 K260	N254-Y256 PolarHBondContact O-N 3.23Å; Y256-N258 VanDerWaalsContact C-N 3.33Å; Y256-E259 PolarHBondContact O-N 3.19Å; Y256-K260 WeakPolarHBondContact O-CB 3.45Å; Y256-K260 PolarHBondContact O-N 2.77Å; Y256-K260 VanDerWaalsContact O-N 3.08Å
257	N	78.6	Confident	79	Confident	83 Å²	83	83.7 Å²	83.7	44%	0.444	41%	0.407	S	S	.	.	H	α-helix	trans	-70.3	-34.8	179.8	-64.9	-32.7	0	0	0	111.1	N253 N254 Q255 K260 E261	N253-N257 VanDerWaalsContact O-CB 3.27Å; N253-N257 WeakPolarHBondContact O-CB 3.42Å; N253-N257 PolarHBondContact O-ND2 3Å; N254-N257 PolarHBondContact O-N 3.16Å; Q255-N257 PolarHBondContact O-N 2.83Å; N257-K260 PolarHBondContact O-N 3.36Å; N257-E261 WeakPolarHBondContact O-CB 3.4Å; N257-E261 PolarHBondContact O-N 3.18Å
258	N	81.5	Confident	80	Confident	14 Å²	14	80.1 Å²	80.1	8%	0.075	38%	0.382	C	S	.	.	H	α-helix	trans	-62	-47.7	175.4	-177.6	63.3	0	0	0	111.8	R211 L250 N254 Q255 Y256 K260 E261 L262	R211-N258 PolarHBondContact NH1-OD1 3.49Å; R211-N258 PolarHBondContact NH2-OD1 2.96Å; L250-N258 HydrophobicContact CD2-CB 3.81Å; L250-N258 WeakPolarHBondContact CD2-ND2 3.19Å; L250-N258 WeakPolarHBondContact CD2-OD1 3.27Å; N254-N258 PolarHBondContact O-N 2.89Å; Q255-N258 WeakPolarHBondContact O-CB 3.25Å; Q255-N258 PolarHBondContact O-N 3.41Å; Y256-N258 VanDerWaalsContact C-N 3.33Å; N258-K260 VanDerWaalsContact C-N 3.33Å; N258-K260 PolarHBondContact O-N 2.91Å; N258-E261 PolarHBondContact O-N 3.24Å; N258-L262 WeakPolarHBondContact O-CB 3.4Å; N258-L262 WeakPolarHBondContact O-CG 3.47Å; N258-L262 PolarHBondContact O-N 3.03Å
259	E	84.5	Confident	80.8	Confident	110 Å²	110	77 Å²	77	51%	0.514	36%	0.361	S	S	.	.	H	α-helix	trans	-63.3	-41.1	178.3	-171.5	-179.5	172.7	0	0	111.5	Q255 Y256 L262 N263	Q255-E259 PolarHBondContact O-N 3.32Å; Q255-E259 VanDerWaalsContact O-N 3.11Å; Y256-E259 PolarHBondContact O-N 3.19Å; E259-L262 PolarHBondContact O-N 2.91Å; E259-N263 VanDerWaalsContact O-CB 3.31Å; E259-N263 WeakPolarHBondContact O-CB 3.32Å; E259-N263 PolarHBondContact O-N 2.84Å; E259-N263 PolarHBondContact O-ND2 2.94Å
260	K	87.2	Confident	81.9	Confident	125 Å²	125	78 Å²	78	54%	0.543	37%	0.366	S	S	.	.	H	α-helix	trans	-60.2	-46	175.1	-173.8	-179.7	176.6	-176.3	0	112	Y256 N257 N258 N263 Q264	Y256-K260 WeakPolarHBondContact O-CB 3.45Å; Y256-K260 PolarHBondContact O-N 2.77Å; Y256-K260 VanDerWaalsContact O-N 3.08Å; N257-K260 PolarHBondContact O-N 3.36Å; N258-K260 VanDerWaalsContact C-N 3.33Å; N258-K260 PolarHBondContact O-N 2.91Å; K260-N263 PolarHBondContact O-N 2.49Å; K260-Q264 PolarHBondContact O-N 3.45Å
261	E	86.9	Confident	83	Confident	33 Å²	33	79.1 Å²	79.1	15%	0.154	37%	0.372	C	S	.	.	H	α-helix	trans	-64.1	-49.1	177.4	-174.8	179.4	177.2	0	0	111.1	R211 N257 N258 N263 Q264 L265	R211-E261 WeakPolarHBondContact CB-OE1 3.29Å; R211-E261 WeakPolarHBondContact CG-OE1 3.18Å; R211-E261 IonicContact CZ-OE2 3.92Å; R211-E261 PolarHBondContact N-OE1 2.75Å; R211-E261 IonicContact NE-OE1 2.7Å; R211-E261 PolarHBondContact NE-OE1 3.25Å; R211-E261 IonicContact NE-OE2 3.43Å; R211-E261 PolarHBondContact NE-OE2 3.01Å; R211-E261 IonicContact NH2-OE2 2.75Å; R211-E261 PolarHBondContact NH2-OE2 3.35Å; N257-E261 WeakPolarHBondContact O-CB 3.4Å; N257-E261 PolarHBondContact O-N 3.18Å; N258-E261 PolarHBondContact O-N 3.24Å; E261-N263 VanDerWaalsContact C-N 3.28Å; E261-N263 PolarHBondContact O-N 3.28Å; E261-Q264 WeakPolarHBondContact O-CA 3.42Å; E261-Q264 WeakPolarHBondContact O-CB 3.43Å; E261-Q264 PolarHBondContact O-N 2.95Å; E261-L265 HydrophobicContact CG-CD1 4.27Å; E261-L265 HydrophobicContact CG-CG 4.43Å; E261-L265 WeakPolarHBondContact O-CG 3.3Å; E261-L265 PolarHBondContact O-N 3.47Å
262	L	89.5	Confident	84.3	Confident	22 Å²	22	71.9 Å²	71.9	12%	0.115	34%	0.338	C	S	.	.	H	α-helix	trans	-59.4	-39.8	177.7	-72.2	176.4	0	0	0	112.1	Y238 F244 N258 E259 Q264 L265 R266	Y238-L262 HydrophobicContact CD2-CD2 3.92Å; Y238-L262 HydrophobicContact CE2-CD2 4.3Å; F244-L262 HydrophobicContact CB-CD2 4.49Å; F244-L262 HydrophobicContact CD1-CD2 3.99Å; N258-L262 WeakPolarHBondContact O-CB 3.4Å; N258-L262 WeakPolarHBondContact O-CG 3.47Å; N258-L262 PolarHBondContact O-N 3.03Å; E259-L262 PolarHBondContact O-N 2.91Å; L262-Q264 VanDerWaalsContact C-N 3.35Å; L262-L265 HydrophobicContact CD2-CD1 4.49Å; L262-L265 PolarHBondContact O-N 2.05Å; L262-R266 WeakPolarHBondContact O-CB 3.12Å; L262-R266 VanDerWaalsContact O-CG 3.26Å; L262-R266 WeakPolarHBondContact O-CG 3.29Å; L262-R266 PolarHBondContact O-N 3.46Å
263	N	91.3	Very high	85.5	Confident	55 Å²	55	67.1 Å²	67.1	29%	0.294	31%	0.314	S	S	.	.	H	α-helix	trans	-66	-36.7	175.1	-73.8	-23.5	0	0	0	112.2	E259 K260 E261 R266 R267	E259-N263 VanDerWaalsContact O-CB 3.31Å; E259-N263 WeakPolarHBondContact O-CB 3.32Å; E259-N263 PolarHBondContact O-N 2.84Å; E259-N263 PolarHBondContact O-ND2 2.94Å; K260-N263 PolarHBondContact O-N 2.49Å; E261-N263 VanDerWaalsContact C-N 3.28Å; E261-N263 PolarHBondContact O-N 3.28Å; N263-R266 PolarHBondContact OD1-NH1 2.7Å; N263-R267 WeakPolarHBondContact O-CG 3.45Å; N263-R267 PolarHBondContact O-N 3.47Å; N263-R267 VanDerWaalsContact O-N 3.12Å
264	Q	91.1	Very high	86.9	Confident	53 Å²	53	69.3 Å²	69.3	25%	0.248	32%	0.32	C	S	.	.	H	α-helix	trans	-65.1	-45.4	172.3	-175	-179.4	-4.3	0	0	111.6	K260 E261 L262 R266 R267 I268	K260-Q264 PolarHBondContact O-N 3.45Å; E261-Q264 WeakPolarHBondContact O-CA 3.42Å; E261-Q264 WeakPolarHBondContact O-CB 3.43Å; E261-Q264 PolarHBondContact O-N 2.95Å; L262-Q264 VanDerWaalsContact C-N 3.35Å; Q264-R266 VanDerWaalsContact C-N 3.32Å; Q264-R266 PolarHBondContact O-N 3.25Å; Q264-R267 PolarHBondContact O-N 2.79Å; Q264-R267 VanDerWaalsContact O-N 3.15Å; Q264-I268 HydrophobicContact CG-CD1 4.31Å; Q264-I268 WeakPolarHBondContact O-CG1 3.32Å; Q264-I268 PolarHBondContact O-N 3.43Å
265	L	92.6	Very high	88	Confident	8 Å²	8	64.3 Å²	64.3	4%	0.042	29%	0.294	C	S	.	.	H	α-helix	trans	-61.3	-39.4	176.9	-64.9	177.2	0	0	0	112	W229 L233 Y238 F244 E261 L262 I268 S269	W229-L265 HydrophobicContact CH2-CD1 4.46Å; W229-L265 HydrophobicContact CH2-CD2 3.87Å; W229-L265 HydrophobicContact CZ2-CD2 3.54Å; L233-L265 HydrophobicContact CD2-CB 4.3Å; L233-L265 HydrophobicContact CD2-CD2 3.91Å; Y238-L265 HydrophobicContact CD1-CB 4.48Å; Y238-L265 HydrophobicContact CD2-CB 3.99Å; Y238-L265 HydrophobicContact CD2-CD1 3.77Å; Y238-L265 HydrophobicContact CE1-CB 4.14Å; Y238-L265 HydrophobicContact CE2-CB 3.62Å; Y238-L265 HydrophobicContact CE2-CD1 4.26Å; Y238-L265 HydrophobicContact CG-CB 4.44Å; Y238-L265 HydrophobicContact CG-CD1 4.01Å; Y238-L265 PolarHBondContact OH-O 3.42Å; F244-L265 HydrophobicContact CD1-CD1 4.16Å; F244-L265 HydrophobicContact CE1-CD1 3.54Å; F244-L265 HydrophobicContact CZ-CD1 4.27Å; E261-L265 HydrophobicContact CG-CD1 4.27Å; E261-L265 HydrophobicContact CG-CG 4.43Å; E261-L265 WeakPolarHBondContact O-CG 3.3Å; E261-L265 PolarHBondContact O-N 3.47Å; L262-L265 HydrophobicContact CD2-CD1 4.49Å; L262-L265 PolarHBondContact O-N 2.05Å; L265-I268 PolarHBondContact O-N 2.95Å; L265-S269 WeakPolarHBondContact O-CB 3.13Å; L265-S269 PolarHBondContact O-N 3.14Å
266	R	94.3	Very high	89.1	Confident	90 Å²	90	58.7 Å²	58.7	34%	0.34	27%	0.268	S	S	.	.	H	α-helix	trans	-59.5	-45.5	172.4	-74.8	168.2	-177	149.2	0.6	112.1	Y238 E239 L262 N263 Q264 I268 S269 D270	Y238-R266 VanDerWaalsContact OH-CA 3.31Å; Y238-R266 WeakPolarHBondContact OH-CA 3.18Å; Y238-R266 PolarHBondContact OH-N 3.36Å; E239-R266 WeakPolarHBondContact OE1-CG 3.45Å; E239-R266 IonicContact OE1-CZ 3.27Å; E239-R266 IonicContact OE1-NE 3.16Å; E239-R266 PolarHBondContact OE1-NE 3.33Å; E239-R266 IonicContact OE1-NH2 3.71Å; E239-R266 PolarHBondContact OE1-NH2 2.78Å; L262-R266 WeakPolarHBondContact O-CB 3.12Å; L262-R266 VanDerWaalsContact O-CG 3.26Å; L262-R266 WeakPolarHBondContact O-CG 3.29Å; L262-R266 PolarHBondContact O-N 3.46Å; N263-R266 PolarHBondContact OD1-NH1 2.7Å; Q264-R266 VanDerWaalsContact C-N 3.32Å; Q264-R266 PolarHBondContact O-N 3.25Å; R266-I268 PolarHBondContact O-N 3.07Å; R266-S269 CarbonylContact O-C 3.57Å; R266-S269 WeakPolarHBondContact O-CB 3.24Å; R266-S269 PolarHBondContact O-N 3.09Å; R266-D270 WeakPolarHBondContact O-CB 3.22Å; R266-D270 PolarHBondContact O-N 3.43Å
267	R	94.1	Very high	90.3	Very high	118 Å²	118	57.2 Å²	57.2	45%	0.445	26%	0.262	S	S	.	.	H	α-helix	trans	-63	-40.5	177.5	-69.1	-172.1	-61	-98.8	2.8	112.2	N263 Q264 D270 L271 D304	N263-R267 WeakPolarHBondContact O-CG 3.45Å; N263-R267 PolarHBondContact O-N 3.47Å; N263-R267 VanDerWaalsContact O-N 3.12Å; Q264-R267 PolarHBondContact O-N 2.79Å; Q264-R267 VanDerWaalsContact O-N 3.15Å; R267-D270 PolarHBondContact O-N 2.95Å; R267-L271 WeakPolarHBondContact O-CG 3.34Å; R267-L271 PolarHBondContact O-N 3.04Å; R267-L271 VanDerWaalsContact O-N 3.09Å; R267-D304 HydrophobicContact CB-CB 3.64Å; R267-D304 IonicContact CZ-OD2 2.65Å; R267-D304 IonicContact NE-OD2 2.91Å; R267-D304 PolarHBondContact NE-OD2 3.35Å; R267-D304 IonicContact NH2-OD2 2.75Å; R267-D304 PolarHBondContact NH2-OD2 3.36Å
268	I	93.1	Very high	90.9	Very high	13 Å²	13	55.2 Å²	55.2	7%	0.067	25%	0.25	C	S	.	.	H	α-helix	trans	-63.8	-44.8	173.8	-61.6	165.5	0	0	0	110.8	L206 L233 Q264 L265 R266 D270 L271 L272 I301 D304	L206-I268 HydrophobicContact CD1-CG2 4.2Å; L233-I268 HydrophobicContact CD1-CG2 3.68Å; L233-I268 HydrophobicContact CD2-CB 4.19Å; L233-I268 HydrophobicContact CD2-CG2 4.05Å; L233-I268 HydrophobicContact CG-CG2 4.4Å; Q264-I268 HydrophobicContact CG-CD1 4.31Å; Q264-I268 WeakPolarHBondContact O-CG1 3.32Å; Q264-I268 PolarHBondContact O-N 3.43Å; L265-I268 PolarHBondContact O-N 2.95Å; R266-I268 PolarHBondContact O-N 3.07Å; I268-D270 VanDerWaalsContact C-N 3.31Å; I268-D270 PolarHBondContact O-N 3.02Å; I268-L271 WeakPolarHBondContact O-CB 3.29Å; I268-L271 PolarHBondContact O-N 3.45Å; I268-L272 HydrophobicContact CG2-CD1 4.49Å; I268-L272 PolarHBondContact O-N 3.46Å; I268-L272 VanDerWaalsContact O-N 3.12Å; I268-I301 HydrophobicContact CG2-CG2 4.05Å; I268-D304 HydrophobicContact CG1-CB 3.94Å
269	S	93.9	Very high	91.4	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-58.7	-42.2	175.6	-179.3	0	0	0	0	111.8	L233 R236 L265 R266 L272 N273	L233-S269 WeakPolarHBondContact O-CB 3.38Å; L233-S269 PolarHBondContact O-OG 3.48Å; R236-S269 WeakPolarHBondContact CG-OG 3.38Å; R236-S269 PolarHBondContact NE-OG 3.48Å; R236-S269 VanDerWaalsContact NE-OG 3.16Å; L265-S269 WeakPolarHBondContact O-CB 3.13Å; L265-S269 PolarHBondContact O-N 3.14Å; R266-S269 CarbonylContact O-C 3.57Å; R266-S269 WeakPolarHBondContact O-CB 3.24Å; R266-S269 PolarHBondContact O-N 3.09Å; S269-L272 PolarHBondContact O-N 3.46Å; S269-N273 VanDerWaalsContact O-CB 3.24Å; S269-N273 WeakPolarHBondContact O-CB 3.49Å; S269-N273 PolarHBondContact O-N 3.47Å; S269-N273 PolarHBondContact O-ND2 3.47Å; S269-N273 VanDerWaalsContact O-ND2 3.12Å; S269-N273 PolarHBondContact OG-ND2 3.04Å; S269-N273 VanDerWaalsContact OG-ND2 3.07Å
270	D	93.7	Very high	91.6	Very high	76 Å²	76	55.3 Å²	55.3	41%	0.406	27%	0.265	S	S	.	.	H	α-helix	trans	-64.6	-39.8	178.3	-70.9	-21.4	0	0	0	112	R236 R266 R267 I268 K274	R236-D270 IonicContact CZ-OD1 3.57Å; R236-D270 IonicContact NH2-OD1 3.21Å; R236-D270 PolarHBondContact NH2-OD1 3.33Å; R266-D270 WeakPolarHBondContact O-CB 3.22Å; R266-D270 PolarHBondContact O-N 3.43Å; R267-D270 PolarHBondContact O-N 2.95Å; I268-D270 VanDerWaalsContact C-N 3.31Å; I268-D270 PolarHBondContact O-N 3.02Å; D270-K274 WeakPolarHBondContact O-CB 3.44Å; D270-K274 PolarHBondContact O-N 2.71Å
271	L	91.7	Very high	91.8	Very high	57 Å²	57	57.9 Å²	57.9	30%	0.298	27%	0.271	S	S	.	.	H	α-helix	trans	-60.3	-49.1	174	-73.8	177.1	0	0	0	111.9	R267 I268 A275 D304	R267-L271 WeakPolarHBondContact O-CG 3.34Å; R267-L271 PolarHBondContact O-N 3.04Å; R267-L271 VanDerWaalsContact O-N 3.09Å; I268-L271 WeakPolarHBondContact O-CB 3.29Å; I268-L271 PolarHBondContact O-N 3.45Å; L271-A275 PolarHBondContact O-N 3.26Å; L271-D304 VanDerWaalsContact CD1-C 3.46Å; L271-D304 WeakPolarHBondContact CD1-O 3.39Å
272	L	91.2	Very high	92	Very high	5 Å²	5	60.4 Å²	60.4	3%	0.026	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-51.1	177.7	-77	169.5	0	0	0	111.1	L233 I268 S269 K274 A275 M276 I301	L233-L272 HydrophobicContact CB-CD1 3.88Å; L233-L272 HydrophobicContact CD1-CD1 4.27Å; I268-L272 HydrophobicContact CG2-CD1 4.49Å; I268-L272 PolarHBondContact O-N 3.46Å; I268-L272 VanDerWaalsContact O-N 3.12Å; S269-L272 PolarHBondContact O-N 3.46Å; L272-K274 PolarHBondContact O-N 3.13Å; L272-A275 PolarHBondContact O-N 2.9Å; L272-M276 VanDerWaalsContact O-CG 3.27Å; L272-M276 WeakPolarHBondContact O-CG 3.47Å; L272-M276 PolarHBondContact O-N 3.39Å; L272-I301 HydrophobicContact CD2-CD1 3.35Å; L272-I301 HydrophobicContact CG-CD1 4.04Å
273	N	92.2	Very high	91.9	Very high	44 Å²	44	59.9 Å²	59.9	24%	0.235	29%	0.288	C	S	.	.	H	α-helix	trans	-61.5	-41.7	-178	-86	-53.4	0	0	0	112.3	Y234 S269 M276 Y277	Y234-N273 WeakPolarHBondContact CD2-OD1 3.3Å; Y234-N273 WeakPolarHBondContact CE2-OD1 3.25Å; Y234-N273 PolarHBondContact O-ND2 3.25Å; Y234-N273 PolarHBondContact O-OD1 3.47Å; S269-N273 VanDerWaalsContact O-CB 3.24Å; S269-N273 WeakPolarHBondContact O-CB 3.49Å; S269-N273 PolarHBondContact O-N 3.47Å; S269-N273 PolarHBondContact O-ND2 3.47Å; S269-N273 VanDerWaalsContact O-ND2 3.12Å; S269-N273 PolarHBondContact OG-ND2 3.04Å; S269-N273 VanDerWaalsContact OG-ND2 3.07Å; N273-M276 PolarHBondContact O-N 3.12Å; N273-Y277 WeakPolarHBondContact O-CB 3.24Å; N273-Y277 PolarHBondContact O-N 3.07Å
274	K	92.7	Very high	92	Very high	114 Å²	114	62 Å²	62	50%	0.496	29%	0.293	S	S	.	.	H	α-helix	trans	-60.8	-47.4	176	-177.3	179.5	174.9	-176	0	111.3	D270 L272 Y277 E278	D270-K274 WeakPolarHBondContact O-CB 3.44Å; D270-K274 PolarHBondContact O-N 2.71Å; L272-K274 PolarHBondContact O-N 3.13Å; K274-Y277 PolarHBondContact O-N 2.81Å; K274-E278 WeakPolarHBondContact CE-OE1 3.33Å; K274-E278 WeakPolarHBondContact O-CG 3.2Å; K274-E278 PolarHBondContact O-N 3.48Å
275	A	91.7	Very high	92.1	Very high	3 Å²	3	59.7 Å²	59.7	3%	0.025	28%	0.282	C	S	.	.	H	α-helix	trans	-62.8	-48.1	178.6	0	0	0	0	0	112	L271 L272 Y277 E278 F279 I285 W288	L271-A275 PolarHBondContact O-N 3.26Å; L272-A275 PolarHBondContact O-N 2.9Å; A275-Y277 VanDerWaalsContact C-N 3.29Å; A275-Y277 PolarHBondContact O-N 3.36Å; A275-E278 PolarHBondContact O-N 2.92Å; A275-F279 WeakPolarHBondContact O-CB 3.28Å; A275-F279 PolarHBondContact O-N 2.68Å; A275-I285 HydrophobicContact CB-CD1 4.04Å; A275-I285 HydrophobicContact CB-CG1 4.5Å; A275-I285 HydrophobicContact CB-CG2 3.96Å; A275-W288 HydrophobicContact CB-CD2 4.3Å; A275-W288 HydrophobicContact CB-CH2 4.16Å; A275-W288 HydrophobicContact CB-CZ2 3.48Å; A275-W288 VanDerWaalsContact CB-CZ2 3.48Å
276	M	91.3	Very high	91.9	Very high	40 Å²	40	63.4 Å²	63.4	20%	0.197	31%	0.309	C	S	.	.	H	α-helix	trans	-63.4	-36.9	178.2	-62.8	-56.1	142.8	0	0	111.9	I97 Y204 Y234 L272 N273 A280 W288	I97-M276 HydrophobicContact CD1-CE 4.11Å; I97-M276 HydrophobicContact CD1-SD 3.71Å; I97-M276 HydrophobicContact CG2-CE 3.98Å; Y204-M276 HydrophobicContact CE1-CE 4.4Å; Y234-M276 HydrophobicContact CD2-CG 4.15Å; Y234-M276 HydrophobicContact CE2-CB 3.8Å; Y234-M276 HydrophobicContact CE2-CG 3.87Å; L272-M276 VanDerWaalsContact O-CG 3.27Å; L272-M276 WeakPolarHBondContact O-CG 3.47Å; L272-M276 PolarHBondContact O-N 3.39Å; N273-M276 PolarHBondContact O-N 3.12Å; M276-A280 VanDerWaalsContact O-CB 3.24Å; M276-A280 WeakPolarHBondContact O-CB 3.44Å; M276-A280 PolarHBondContact O-N 2.98Å; M276-W288 HydrophobicContact CE-CH2 3.83Å; M276-W288 HydrophobicContact CE-CZ3 4.33Å
277	Y	92.2	Very high	91.5	Very high	138 Å²	138	63.5 Å²	63.5	54%	0.541	32%	0.316	S	S	.	.	H	α-helix	trans	-65.5	-48	175.5	179.4	-95.1	0	0	0	112.2	N273 K274 A275 F279 A280 R281	N273-Y277 WeakPolarHBondContact O-CB 3.24Å; N273-Y277 PolarHBondContact O-N 3.07Å; K274-Y277 PolarHBondContact O-N 2.81Å; A275-Y277 VanDerWaalsContact C-N 3.29Å; A275-Y277 PolarHBondContact O-N 3.36Å; Y277-F279 VanDerWaalsContact C-N 3.32Å; Y277-F279 PolarHBondContact O-N 2.88Å; Y277-A280 PolarHBondContact O-N 3.27Å; Y277-R281 HydrophobicContact CD1-CG 4.48Å; Y277-R281 HydrophobicContact CE1-CG 4.11Å; Y277-R281 HydrophobicContact CE2-CG 4.24Å; Y277-R281 WeakPolarHBondContact O-CB 3.41Å; Y277-R281 VanDerWaalsContact O-CG 3.28Å; Y277-R281 WeakPolarHBondContact O-CG 3.48Å; Y277-R281 PolarHBondContact O-N 2.84Å; Y277-R281 VanDerWaalsContact O-N 3.1Å; Y277-R281 PolarHBondContact OH-NE 3.28Å; Y277-R281 PolarHBondContact OH-NH2 3.09Å
278	E	91.8	Very high	91.3	Very high	42 Å²	42	58.8 Å²	58.8	20%	0.196	30%	0.298	C	S	.	.	H	α-helix	trans	-57.2	-46.8	175.5	-77.2	-179.2	-157.2	0	0	111	K274 A275 R281 T282 Y284 S286	K274-E278 WeakPolarHBondContact CE-OE1 3.33Å; K274-E278 WeakPolarHBondContact O-CG 3.2Å; K274-E278 PolarHBondContact O-N 3.48Å; A275-E278 PolarHBondContact O-N 2.92Å; E278-R281 PolarHBondContact O-N 3.12Å; E278-T282 WeakPolarHBondContact O-CB 3.48Å; E278-T282 PolarHBondContact O-N 3.44Å; E278-T282 PolarHBondContact O-OG1 3.02Å; E278-Y284 CarbonylContact C-O 3.52Å; E278-Y284 VanDerWaalsContact C-O 3.28Å; E278-S286 PolarHBondContact OE2-N 2.86Å; E278-S286 PolarHBondContact OE2-OG 3.17Å
279	F	91.3	Very high	91.1	Very high	40 Å²	40	62.3 Å²	62.3	18%	0.175	31%	0.311	C	S	.	.	H	α-helix	trans	-65	-46.2	179.6	-176.9	-97.9	0	0	0	113	P95 I97 Y202 A275 Y277 R281 T282 G283 Y284 I285	P95-F279 HydrophobicContact CB-CE2 3.58Å; P95-F279 HydrophobicContact CB-CZ 3.76Å; P95-F279 HydrophobicContact CG-CE2 4.4Å; P95-F279 HydrophobicContact CG-CZ 4.23Å; I97-F279 HydrophobicContact CD1-CB 3.42Å; I97-F279 VanDerWaalsContact CD1-CB 3.42Å; I97-F279 HydrophobicContact CD1-CD1 3.46Å; I97-F279 VanDerWaalsContact CD1-CD1 3.46Å; I97-F279 HydrophobicContact CD1-CD2 3.49Å; I97-F279 VanDerWaalsContact CD1-CD2 3.49Å; I97-F279 HydrophobicContact CD1-CE1 4.02Å; I97-F279 HydrophobicContact CD1-CE2 4.02Å; I97-F279 HydrophobicContact CD1-CG 3.16Å; I97-F279 HydrophobicContact CD1-CZ 4.27Å; I97-F279 HydrophobicContact CG1-CB 4.4Å; I97-F279 HydrophobicContact CG1-CD1 3.93Å; I97-F279 HydrophobicContact CG1-CD2 3.51Å; I97-F279 HydrophobicContact CG1-CE1 3.99Å; I97-F279 HydrophobicContact CG1-CE2 3.55Å; I97-F279 HydrophobicContact CG1-CG 3.69Å; I97-F279 HydrophobicContact CG1-CZ 3.8Å; Y202-F279 HydrophobicContact CD2-CD2 4.22Å; Y202-F279 HydrophobicContact CD2-CE2 4.24Å; Y202-F279 HydrophobicContact CE2-CD2 4.22Å; Y202-F279 HydrophobicContact CE2-CE2 4.39Å; A275-F279 WeakPolarHBondContact O-CB 3.28Å; A275-F279 PolarHBondContact O-N 2.68Å; Y277-F279 VanDerWaalsContact C-N 3.32Å; Y277-F279 PolarHBondContact O-N 2.88Å; F279-R281 PolarHBondContact O-N 3.03Å; F279-T282 PolarHBondContact O-N 3.37Å; F279-G283 WeakPolarHBondContact CE2-O 3.36Å; F279-G283 VanDerWaalsContact O-CA 3.28Å; F279-G283 WeakPolarHBondContact O-CA 3.14Å; F279-G283 PolarHBondContact O-N 2.81Å; F279-Y284 PolarHBondContact N-O 2.84Å; F279-I285 HydrophobicContact CB-CD1 4.1Å; F279-I285 HydrophobicContact CB-CG1 3.79Å; F279-I285 HydrophobicContact CD2-CD1 4.43Å; F279-I285 HydrophobicContact CD2-CG1 4.3Å
280	A	90	Very high	91	Very high	86 Å²	86	65 Å²	65	71%	0.711	32%	0.324	S	S	*	.	H	α-helix	trans	-61.4	-30.3	178.1	0	0	0	0	0	112.2	M276 Y277	M276-A280 VanDerWaalsContact O-CB 3.24Å; M276-A280 WeakPolarHBondContact O-CB 3.44Å; M276-A280 PolarHBondContact O-N 2.98Å; Y277-A280 PolarHBondContact O-N 3.27Å
281	R	91	Very high	90.8	Very high	178 Å²	178	62 Å²	62	67%	0.672	31%	0.309	S	S	*	.	H	α-helix	trans	-83.5	-36.5	179.7	-73	-67.3	-169	155.6	1.2	113.9	Y277 E278 F279	Y277-R281 HydrophobicContact CD1-CG 4.48Å; Y277-R281 HydrophobicContact CE1-CG 4.11Å; Y277-R281 HydrophobicContact CE2-CG 4.24Å; Y277-R281 WeakPolarHBondContact O-CB 3.41Å; Y277-R281 VanDerWaalsContact O-CG 3.28Å; Y277-R281 WeakPolarHBondContact O-CG 3.48Å; Y277-R281 PolarHBondContact O-N 2.84Å; Y277-R281 VanDerWaalsContact O-N 3.1Å; Y277-R281 PolarHBondContact OH-NE 3.28Å; Y277-R281 PolarHBondContact OH-NH2 3.09Å; E278-R281 PolarHBondContact O-N 3.12Å; F279-R281 PolarHBondContact O-N 3.03Å
282	T	90.3	Very high	90.7	Very high	87 Å²	87	65.4 Å²	65.4	53%	0.534	32%	0.321	S	S	.	.	H	α-helix	trans	-125.1	-18.5	-165.7	69.4	0	0	0	0	114	E278 F279 Y284	E278-T282 WeakPolarHBondContact O-CB 3.48Å; E278-T282 PolarHBondContact O-N 3.44Å; E278-T282 PolarHBondContact O-OG1 3.02Å; F279-T282 PolarHBondContact O-N 3.37Å; T282-Y284 VanDerWaalsContact O-CD2 3.24Å; T282-Y284 WeakPolarHBondContact O-CD2 3.47Å; T282-Y284 PolarHBondContact OG1-N 3.22Å; T282-Y284 PolarHBondContact OG1-O 2.88Å
283	G	88.9	Confident	90.4	Very high	10 Å²	10	71.3 Å²	71.3	10%	0.103	35%	0.347	C	S	.	.	S	Bend	trans	78.9	-1.1	-166.8	0	0	0	0	0	114.1	P95 P200 F279	P95-G283 WeakPolarHBondContact CB-O 3.28Å; P200-G283 VanDerWaalsContact CG-O 3.3Å; P200-G283 WeakPolarHBondContact CG-O 3.28Å; F279-G283 WeakPolarHBondContact CE2-O 3.36Å; F279-G283 VanDerWaalsContact O-CA 3.28Å; F279-G283 WeakPolarHBondContact O-CA 3.14Å; F279-G283 PolarHBondContact O-N 2.81Å
284	Y	93.3	Very high	90.1	Very high	100 Å²	100	71.2 Å²	71.2	39%	0.392	36%	0.356	S	S	.	.			trans	-127.4	154.1	-176.5	-64	-88.6	0	0	0	111	P200 E278 F279 T282	P200-Y284 HydrophobicContact CB-CD1 4.48Å; P200-Y284 HydrophobicContact CB-CE1 4.45Å; P200-Y284 HydrophobicContact CG-CD1 3.65Å; P200-Y284 HydrophobicContact CG-CE1 3.69Å; P200-Y284 HydrophobicContact CG-CG 4.39Å; E278-Y284 CarbonylContact C-O 3.52Å; E278-Y284 VanDerWaalsContact C-O 3.28Å; F279-Y284 PolarHBondContact N-O 2.84Å; T282-Y284 VanDerWaalsContact O-CD2 3.24Å; T282-Y284 WeakPolarHBondContact O-CD2 3.47Å; T282-Y284 PolarHBondContact OG1-N 3.22Å; T282-Y284 PolarHBondContact OG1-O 2.88Å
285	I	93.3	Very high	89.5	Confident	5 Å²	5	69.4 Å²	69.4	3%	0.026	35%	0.352	C	S	.	.			trans	-124.9	118.7	171.4	-56.9	168.3	0	0	0	107.7	I97 Y202 A275 F279 N287 W288	I97-I285 HydrophobicContact CD1-CD1 3.42Å; I97-I285 VanDerWaalsContact CD1-CD1 3.42Å; I97-I285 HydrophobicContact CD1-CG1 4.38Å; I97-I285 HydrophobicContact CG1-CD1 3.96Å; Y202-I285 HydrophobicContact CD2-CD1 4.02Å; Y202-I285 HydrophobicContact CD2-CG1 4.33Å; Y202-I285 HydrophobicContact CE1-CB 4.34Å; Y202-I285 HydrophobicContact CE2-CB 4.31Å; Y202-I285 HydrophobicContact CE2-CD1 4.41Å; Y202-I285 HydrophobicContact CE2-CG1 4.21Å; Y202-I285 HydrophobicContact CG-CD1 4.2Å; Y202-I285 PolarHBondContact OH-N 3.18Å; Y202-I285 VanDerWaalsContact OH-N 3.09Å; A275-I285 HydrophobicContact CB-CD1 4.04Å; A275-I285 HydrophobicContact CB-CG1 4.5Å; A275-I285 HydrophobicContact CB-CG2 3.96Å; F279-I285 HydrophobicContact CB-CD1 4.1Å; F279-I285 HydrophobicContact CB-CG1 3.79Å; F279-I285 HydrophobicContact CD2-CD1 4.43Å; F279-I285 HydrophobicContact CD2-CG1 4.3Å; I285-N287 VanDerWaalsContact C-N 3.33Å; I285-N287 PolarHBondContact O-N 3.27Å; I285-W288 HydrophobicContact CB-CB 3.98Å; I285-W288 HydrophobicContact CB-CG 4.15Å; I285-W288 HydrophobicContact CD1-CD2 3.83Å; I285-W288 HydrophobicContact CD1-CE3 3.57Å; I285-W288 HydrophobicContact CD1-CG 4.25Å; I285-W288 HydrophobicContact CD1-CZ3 4.04Å; I285-W288 HydrophobicContact CG2-CB 3.78Å; I285-W288 HydrophobicContact CG2-CD2 4.09Å; I285-W288 HydrophobicContact CG2-CG 3.53Å
286	S	88.4	Confident	88.9	Confident	86 Å²	86	70.4 Å²	70.4	60%	0.601	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-35.7	-170.1	53.9	0	0	0	0	114	E278	E278-S286 PolarHBondContact OE2-N 2.86Å; E278-S286 PolarHBondContact OE2-OG 3.17Å
287	N	85.4	Confident	88.5	Confident	92 Å²	92	69.2 Å²	69.2	49%	0.492	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	2.6	-172.8	-68.2	-14.5	0	0	0	114	I285 L306	I285-N287 VanDerWaalsContact C-N 3.33Å; I285-N287 PolarHBondContact O-N 3.27Å; N287-L306 HydrophobicContact CB-CD2 4.3Å; N287-L306 VanDerWaalsContact O-CD2 3.25Å; N287-L306 WeakPolarHBondContact O-CD2 3.34Å
288	W	90.5	Very high	88.3	Confident	19 Å²	19	62.8 Å²	62.8	7%	0.072	33%	0.325	C	S	.	.	S	Bend	trans	-103.8	144.3	-179.1	-74.4	25.6	0	0	0	110.3	I97 Y202 Y204 A275 M276 I285 N299 I301 L306	I97-W288 HydrophobicContact CG2-CZ3 3.99Å; Y202-W288 HydrophobicContact CD1-CB 3.65Å; Y202-W288 HydrophobicContact CE1-CB 4.02Å; Y202-W288 WeakPolarHBondContact CE1-O 3.19Å; Y202-W288 HydrophobicContact CG-CB 4.43Å; Y202-W288 HydrophobicContact CG-CE3 4.41Å; Y204-W288 AromaticContact CD1-CH2 3.96Å; Y204-W288 HydrophobicContact CD1-CH2 3.96Å; Y204-W288 AromaticContact CD1-CZ3 3.94Å; Y204-W288 HydrophobicContact CD1-CZ3 3.94Å; Y204-W288 AromaticContact CG-CH2 3.97Å; Y204-W288 HydrophobicContact CG-CH2 3.97Å; Y204-W288 HydrophobicContact CG-CZ3 4.15Å; A275-W288 HydrophobicContact CB-CD2 4.3Å; A275-W288 HydrophobicContact CB-CH2 4.16Å; A275-W288 HydrophobicContact CB-CZ2 3.48Å; A275-W288 VanDerWaalsContact CB-CZ2 3.48Å; M276-W288 HydrophobicContact CE-CH2 3.83Å; M276-W288 HydrophobicContact CE-CZ3 4.33Å; I285-W288 HydrophobicContact CB-CB 3.98Å; I285-W288 HydrophobicContact CB-CG 4.15Å; I285-W288 HydrophobicContact CD1-CD2 3.83Å; I285-W288 HydrophobicContact CD1-CE3 3.57Å; I285-W288 HydrophobicContact CD1-CG 4.25Å; I285-W288 HydrophobicContact CD1-CZ3 4.04Å; I285-W288 HydrophobicContact CG2-CB 3.78Å; I285-W288 HydrophobicContact CG2-CD2 4.09Å; I285-W288 HydrophobicContact CG2-CG 3.53Å; W288-N299 VanDerWaalsContact CA-OD1 3.3Å; W288-N299 WeakPolarHBondContact CA-OD1 3.49Å; W288-N299 WeakPolarHBondContact CB-OD1 3.2Å; W288-N299 HydrophobicContact CD2-CB 4.14Å; W288-N299 HydrophobicContact CE3-CB 4.22Å; W288-N299 HydrophobicContact CG-CB 4.4Å; W288-I301 HydrophobicContact CH2-CD1 4.23Å; W288-I301 HydrophobicContact CZ2-CD1 3.9Å; W288-L306 HydrophobicContact CG-CD2 4.37Å
289	Y	89	Confident	88.2	Confident	86 Å²	86	60.8 Å²	60.8	34%	0.337	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-79.3	129	174.1	-64.7	-86.4	0	0	0	110.1	I155 N299 K308	I155-Y289 HydrophobicContact CG1-CE2 4.44Å; Y289-N299 PolarHBondContact N-OD1 3.32Å; Y289-N299 PolarHBondContact O-ND2 3.24Å; Y289-K308 HydrophobicContact CD1-CD 3.81Å; Y289-K308 HydrophobicContact CD1-CG 4.36Å; Y289-K308 HydrophobicContact CD2-CB 3.77Å; Y289-K308 HydrophobicContact CD2-CD 3.92Å; Y289-K308 HydrophobicContact CD2-CG 3.57Å; Y289-K308 HydrophobicContact CE1-CD 3.76Å; Y289-K308 HydrophobicContact CE1-CG 4.46Å; Y289-K308 HydrophobicContact CE2-CB 3.46Å; Y289-K308 VanDerWaalsContact CE2-CB 3.46Å; Y289-K308 HydrophobicContact CE2-CD 3.89Å; Y289-K308 HydrophobicContact CE2-CG 3.71Å; Y289-K308 HydrophobicContact CG-CD 3.88Å; Y289-K308 HydrophobicContact CG-CG 3.92Å
290	E	91.1	Very high	88	Confident	57 Å²	57	59 Å²	59	27%	0.266	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-68.5	134.4	171.1	-62.3	175.7	-175.7	0	0	110.2	Y199 P200 I201 Y202	Y199-E290 WeakPolarHBondContact CE2-OE2 3.43Å; Y199-E290 VanDerWaalsContact CZ-OE2 3.3Å; Y199-E290 PolarHBondContact OH-OE2 3.18Å; P200-E290 HydrophobicContact CB-CG 3.85Å; I201-E290 CarbonylContact O-C 3.47Å; I201-E290 WeakPolarHBondContact O-CA 3.39Å; Y202-E290 HydrophobicContact CD1-CG 4.26Å; Y202-E290 HydrophobicContact CE1-CB 4.44Å; Y202-E290 HydrophobicContact CE1-CG 3.55Å
291	S	90.1	Very high	88	Confident	12 Å²	12	55 Å²	55	8%	0.084	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-65.7	131.6	171.1	-60.6	0	0	0	0	109.7	I201 Q203	I201-S291 PolarHBondContact O-N 3.25Å; Q203-S291 WeakPolarHBondContact CB-OG 3.19Å; Q203-S291 PolarHBondContact N-OG 3.07Å
292	K	88	Confident	87.6	Confident	130 Å²	130	47.5 Å²	47.5	57%	0.565	25%	0.247	S	C	*	.			trans	-118.2	145.5	178.6	-64.6	-177	-179.1	-177.7	0	109.8	G294 N295	K292-G294 PolarHBondContact O-N 3.21Å; K292-N295 HydrophobicContact CB-CB 4.11Å; K292-N295 WeakPolarHBondContact O-CB 3.45Å; K292-N295 PolarHBondContact O-N 2.99Å; K292-N295 VanDerWaalsContact O-O 3.11Å
293	K	86.4	Confident	86.9	Confident	128 Å²	128	45.8 Å²	45.8	56%	0.557	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.3	131.2	175.6	-167.9	177.9	-171.3	167.6	0	111	T195 N196 N295	T195-K293 WeakPolarHBondContact OG1-CB 3.5Å; N196-K293 WeakPolarHBondContact OD1-CD 3.48Å; N196-K293 PolarHBondContact OD1-NZ 3Å; K293-N295 PolarHBondContact O-N 3.13Å
294	G	84.5	Confident	86.4	Confident	43 Å²	43	47.4 Å²	47.4	44%	0.443	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	-13	-177.3	0	0	0	0	0	114.6	N192 K292 Y296	N192-G294 PolarHBondContact OD1-N 3.16Å; K292-G294 PolarHBondContact O-N 3.21Å; G294-Y296 WeakPolarHBondContact O-CD2 3.49Å
295	N	81.6	Confident	86	Confident	76 Å²	76	47 Å²	47	41%	0.406	24%	0.242	S	C	.	.			trans	-99.3	114	176.5	-63.6	3.9	0	0	0	108.8	K292 K293 D297	K292-N295 HydrophobicContact CB-CB 4.11Å; K292-N295 WeakPolarHBondContact O-CB 3.45Å; K292-N295 PolarHBondContact O-N 2.99Å; K292-N295 VanDerWaalsContact O-O 3.11Å; K293-N295 PolarHBondContact O-N 3.13Å; N295-D297 PolarHBondContact O-N 3.23Å; N295-D297 VanDerWaalsContact O-N 3.1Å
296	Y	78.8	Confident	85.6	Confident	23 Å²	23	47.9 Å²	47.9	9%	0.09	25%	0.247	C	C	.	.			trans	-87.6	40	178.7	-71.4	-93.7	0	0	0	111.2	E189 G294 M313 N314 K321	E189-Y296 PolarHBondContact OE2-OH 3.18Å; G294-Y296 WeakPolarHBondContact O-CD2 3.49Å; Y296-M313 HydrophobicContact CD1-CB 4.2Å; Y296-N314 HydrophobicContact CD2-CB 3.7Å; Y296-N314 HydrophobicContact CE2-CB 4.42Å; Y296-N314 HydrophobicContact CG-CB 3.79Å; Y296-K321 PolarHBondContact OH-NZ 3.24Å
297	D	82.5	Confident	85.1	Confident	16 Å²	16	44 Å²	44	9%	0.086	22%	0.22	C	C	.	.			trans	-82.6	141.3	-176.9	-66.8	-1.8	0	0	0	109.9	N295 K308 Y309 V310 N311	N295-D297 PolarHBondContact O-N 3.23Å; N295-D297 VanDerWaalsContact O-N 3.1Å; D297-K308 WeakPolarHBondContact OD2-CE 3.26Å; D297-K308 IonicContact OD2-NZ 3.98Å; D297-K308 PolarHBondContact OD2-NZ 3.03Å; D297-Y309 VanDerWaalsContact CA-O 3.25Å; D297-Y309 WeakPolarHBondContact CA-O 3.3Å; D297-V310 VanDerWaalsContact OD1-CA 3.27Å; D297-V310 WeakPolarHBondContact OD1-CA 3.48Å; D297-N311 PolarHBondContact OD1-N 3.17Å
298	V	87.3	Confident	84.6	Confident	2 Å²	2	41.7 Å²	41.7	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	153.2	174.7	-57.8	0	0	0	0	111.3	Q203 L300 Y309 I312 M313	Q203-V298 HydrophobicContact CB-CG1 4.27Å; Q203-V298 HydrophobicContact CG-CG1 3.8Å; V298-L300 PolarHBondContact O-N 3.47Å; V298-Y309 PolarHBondContact N-O 3.09Å; V298-Y309 VanDerWaalsContact N-O 3.1Å; V298-Y309 PolarHBondContact O-N 3.32Å; V298-I312 HydrophobicContact CG2-CG2 3.99Å; V298-M313 HydrophobicContact CG1-CE 3.87Å; V298-M313 HydrophobicContact CG1-CG 3.91Å; V298-M313 HydrophobicContact CG2-CE 3.92Å
299	N	90.9	Very high	83.5	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	98	167	-64.7	-77.3	0	0	0	108.1	Q203 Y204 Y205 W288 Y289 L306	Q203-N299 WeakPolarHBondContact O-CB 3.12Å; Q203-N299 PolarHBondContact O-N 2.5Å; Q203-N299 PolarHBondContact O-ND2 2.95Å; Y204-N299 CarbonylContact C-O 3.59Å; Y204-N299 VanDerWaalsContact CA-O 3.24Å; Y204-N299 WeakPolarHBondContact CA-O 3.46Å; Y204-N299 WeakPolarHBondContact CB-O 3.28Å; Y205-N299 PolarHBondContact N-O 3.15Å; W288-N299 VanDerWaalsContact CA-OD1 3.3Å; W288-N299 WeakPolarHBondContact CA-OD1 3.49Å; W288-N299 WeakPolarHBondContact CB-OD1 3.2Å; W288-N299 HydrophobicContact CD2-CB 4.14Å; W288-N299 HydrophobicContact CE3-CB 4.22Å; W288-N299 HydrophobicContact CG-CB 4.4Å; Y289-N299 PolarHBondContact N-OD1 3.32Å; Y289-N299 PolarHBondContact O-ND2 3.24Å; N299-L306 HydrophobicContact CB-CD1 4.02Å
300	L	87.8	Confident	82.3	Confident	2 Å²	2	40.3 Å²	40.3	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	127.8	177.1	178.6	74.5	0	0	0	109.2	Y205 T207 V298 E302 L306 C307 Y309	Y205-L300 HydrophobicContact CD1-CD1 3.47Å; Y205-L300 VanDerWaalsContact CD1-CD1 3.47Å; Y205-L300 HydrophobicContact CE1-CD1 4.23Å; Y205-L300 HydrophobicContact CG-CD1 4.36Å; Y205-L300 WeakPolarHBondContact O-CA 3.24Å; Y205-L300 WeakPolarHBondContact O-CD1 3.44Å; T207-L300 HydrophobicContact CG2-CD1 3.64Å; T207-L300 HydrophobicContact CG2-CD2 4.31Å; T207-L300 HydrophobicContact CG2-CG 4.34Å; V298-L300 PolarHBondContact O-N 3.47Å; L300-E302 HydrophobicContact CD2-CB 3.78Å; L300-E302 HydrophobicContact CG-CB 4.05Å; L300-L306 WeakPolarHBondContact O-CA 3.49Å; L300-C307 HydrophobicContact CB-CB 3.94Å; L300-C307 HydrophobicContact CD2-CB 4.24Å; L300-C307 HydrophobicContact CG-CB 4.46Å; L300-C307 PolarHBondContact N-O 3.48Å; L300-C307 PolarHBondContact O-N 2.61Å; L300-Y309 HydrophobicContact CB-CD2 3.38Å; L300-Y309 HydrophobicContact CB-CE2 3.96Å; L300-Y309 HydrophobicContact CB-CG 4.23Å; L300-Y309 HydrophobicContact CD2-CD2 3.42Å; L300-Y309 VanDerWaalsContact CD2-CD2 3.42Å; L300-Y309 HydrophobicContact CD2-CE2 2.98Å; L300-Y309 HydrophobicContact CG-CD2 3.92Å; L300-Y309 HydrophobicContact CG-CE2 3.99Å
301	I	88.5	Confident	81.2	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	112.1	168.4	-56.5	170.2	0	0	0	106.7	Y204 Y205 L206 T207 I268 L272 W288 Q305 L306	Y204-I301 HydrophobicContact CD2-CD1 4.36Å; Y205-I301 PolarHBondContact O-N 2.84Å; L206-I301 HydrophobicContact CD1-CB 3.77Å; L206-I301 HydrophobicContact CD1-CG2 3.61Å; T207-I301 PolarHBondContact N-O 3.16Å; I268-I301 HydrophobicContact CG2-CG2 4.05Å; L272-I301 HydrophobicContact CD2-CD1 3.35Å; L272-I301 HydrophobicContact CG-CD1 4.04Å; W288-I301 HydrophobicContact CH2-CD1 4.23Å; W288-I301 HydrophobicContact CZ2-CD1 3.9Å; I301-Q305 WeakPolarHBondContact CA-O 3.36Å; I301-L306 HydrophobicContact CG1-CD1 4.03Å
302	E	82.9	Confident	80.1	Confident	22 Å²	22	40.1 Å²	40.1	10%	0.103	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	133.1	-179.5	-179.8	174	-173.1	0	0	109.7	K162 T207 L300 D304 Q305	K162-E302 IonicContact NZ-OE1 2.61Å; K162-E302 PolarHBondContact NZ-OE1 2.89Å; T207-E302 HydrophobicContact CG2-CB 3.55Å; T207-E302 HydrophobicContact CG2-CG 3.62Å; L300-E302 HydrophobicContact CD2-CB 3.78Å; L300-E302 HydrophobicContact CG-CB 4.05Å; E302-D304 VanDerWaalsContact C-N 3.31Å; E302-D304 PolarHBondContact O-N 3.33Å; E302-Q305 PolarHBondContact N-O 3.37Å; E302-Q305 WeakPolarHBondContact O-CA 3.31Å; E302-Q305 WeakPolarHBondContact O-CB 3.17Å; E302-Q305 PolarHBondContact O-N 2.85Å
303	N	75	Confident	79.4	Confident	51 Å²	51	33.9 Å²	33.9	27%	0.273	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.5	50.8	172.6	-59.1	-41.5	0	0	0	113.8	K162 Q305	K162-N303 PolarHBondContact NZ-ND2 3.41Å; K162-N303 VanDerWaalsContact NZ-ND2 3.17Å; N303-Q305 PolarHBondContact O-N 3.46Å
304	D	79.8	Confident	78.9	Confident	43 Å²	43	30.4 Å²	30.4	23%	0.23	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	16.8	-177.9	74.7	39.4	0	0	0	117	R267 I268 L271 E302	R267-D304 HydrophobicContact CB-CB 3.64Å; R267-D304 IonicContact CZ-OD2 2.65Å; R267-D304 IonicContact NE-OD2 2.91Å; R267-D304 PolarHBondContact NE-OD2 3.35Å; R267-D304 IonicContact NH2-OD2 2.75Å; R267-D304 PolarHBondContact NH2-OD2 3.36Å; I268-D304 HydrophobicContact CG1-CB 3.94Å; L271-D304 VanDerWaalsContact CD1-C 3.46Å; L271-D304 WeakPolarHBondContact CD1-O 3.39Å; E302-D304 VanDerWaalsContact C-N 3.31Å; E302-D304 PolarHBondContact O-N 3.33Å
305	Q	84.2	Confident	78.4	Confident	91 Å²	91	33.8 Å²	33.8	43%	0.425	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	151.3	177.6	-61.6	-179.1	-31	0	0	111.7	H154 I301 E302 N303	H154-Q305 PolarHBondContact CE1-OE1 3.03Å; H154-Q305 VanDerWaalsContact CE1-OE1 3.24Å; I301-Q305 WeakPolarHBondContact CA-O 3.36Å; E302-Q305 PolarHBondContact N-O 3.37Å; E302-Q305 WeakPolarHBondContact O-CA 3.31Å; E302-Q305 WeakPolarHBondContact O-CB 3.17Å; E302-Q305 PolarHBondContact O-N 2.85Å; N303-Q305 PolarHBondContact O-N 3.46Å
306	L	84.1	Confident	78.2	Confident	24 Å²	24	31 Å²	31	13%	0.126	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	112.9	172.2	-177.5	70.2	0	0	0	108.7	I155 N287 W288 N299 L300 I301	I155-L306 HydrophobicContact CD1-CB 4.37Å; I155-L306 HydrophobicContact CD1-CD2 4.02Å; I155-L306 HydrophobicContact CD1-CG 4.26Å; N287-L306 HydrophobicContact CB-CD2 4.3Å; N287-L306 VanDerWaalsContact O-CD2 3.25Å; N287-L306 WeakPolarHBondContact O-CD2 3.34Å; W288-L306 HydrophobicContact CG-CD2 4.37Å; N299-L306 HydrophobicContact CB-CD1 4.02Å; L300-L306 WeakPolarHBondContact O-CA 3.49Å; I301-L306 HydrophobicContact CG1-CD1 4.03Å
307	C	79.4	Confident	78.4	Confident	4 Å²	4	29.9 Å²	29.9	3%	0.027	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	144.6	178.3	-84.2	0	0	0	0	109.8	C152 H154 L300 Y309	C152-C307 HydrophobicContact CB-CB 4.09Å; C152-C307 WeakPolarHBondContact CB-SG 3.39Å; C152-C307 WeakPolarHBondContact SG-CB 3.44Å; C152-C307 CovalentContact SG-SG 2.05Å; C152-C307 PolarHBondContact SG-SG 3.12Å; H154-C307 PolarHBondContact CE1-SG 2.96Å; H154-C307 PolarHBondContact ND1-SG 3.15Å; L300-C307 HydrophobicContact CB-CB 3.94Å; L300-C307 HydrophobicContact CD2-CB 4.24Å; L300-C307 HydrophobicContact CG-CB 4.46Å; L300-C307 PolarHBondContact N-O 3.48Å; L300-C307 PolarHBondContact O-N 2.61Å; C307-Y309 HydrophobicContact CB-CD2 4.07Å; C307-Y309 HydrophobicContact CB-CE2 4.15Å
308	K	73.7	Confident	78.2	Confident	44 Å²	44	31.5 Å²	31.5	19%	0.191	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	123.2	159.6	-165.3	-172.2	-178.5	-159.1	0	108.2	T153 Y289 D297 V310	T153-K308 PolarHBondContact N-O 3.04Å; T153-K308 VanDerWaalsContact N-O 3.15Å; T153-K308 PolarHBondContact O-N 2.77Å; T153-K308 VanDerWaalsContact O-O 3.07Å; T153-K308 PolarHBondContact OG1-O 2.73Å; Y289-K308 HydrophobicContact CD1-CD 3.81Å; Y289-K308 HydrophobicContact CD1-CG 4.36Å; Y289-K308 HydrophobicContact CD2-CB 3.77Å; Y289-K308 HydrophobicContact CD2-CD 3.92Å; Y289-K308 HydrophobicContact CD2-CG 3.57Å; Y289-K308 HydrophobicContact CE1-CD 3.76Å; Y289-K308 HydrophobicContact CE1-CG 4.46Å; Y289-K308 HydrophobicContact CE2-CB 3.46Å; Y289-K308 VanDerWaalsContact CE2-CB 3.46Å; Y289-K308 HydrophobicContact CE2-CD 3.89Å; Y289-K308 HydrophobicContact CE2-CG 3.71Å; Y289-K308 HydrophobicContact CG-CD 3.88Å; Y289-K308 HydrophobicContact CG-CG 3.92Å; D297-K308 WeakPolarHBondContact OD2-CE 3.26Å; D297-K308 IonicContact OD2-NZ 3.98Å; D297-K308 PolarHBondContact OD2-NZ 3.03Å; K308-V310 HydrophobicContact CD-CG2 3.75Å; K308-V310 HydrophobicContact CG-CG2 4.13Å
309	Y	67.1	Low	77.8	Confident	2 Å²	2	31.6 Å²	31.6	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	109.7	166.6	-100.4	-95.5	0	0	0	110	L150 N151 C152 D297 V298 L300 C307 I312	L150-Y309 VanDerWaalsContact C-OH 3.3Å; L150-Y309 HydrophobicContact CB-CE1 3.54Å; L150-Y309 WeakPolarHBondContact CB-OH 3.1Å; L150-Y309 PolarHBondContact O-OH 3.35Å; N151-Y309 VanDerWaalsContact O-CD1 3.25Å; N151-Y309 WeakPolarHBondContact O-CD1 3.35Å; N151-Y309 WeakPolarHBondContact O-CE1 3.46Å; C152-Y309 VanDerWaalsContact CA-CZ 3.48Å; C152-Y309 HydrophobicContact CB-CD2 4.34Å; C152-Y309 HydrophobicContact CB-CE2 3.4Å; C152-Y309 VanDerWaalsContact CB-CE2 3.4Å; C152-Y309 VanDerWaalsContact N-CZ 3.29Å; C152-Y309 PolarHBondContact N-OH 3.16Å; D297-Y309 VanDerWaalsContact CA-O 3.25Å; D297-Y309 WeakPolarHBondContact CA-O 3.3Å; V298-Y309 PolarHBondContact N-O 3.09Å; V298-Y309 VanDerWaalsContact N-O 3.1Å; V298-Y309 PolarHBondContact O-N 3.32Å; L300-Y309 HydrophobicContact CB-CD2 3.38Å; L300-Y309 HydrophobicContact CB-CE2 3.96Å; L300-Y309 HydrophobicContact CB-CG 4.23Å; L300-Y309 HydrophobicContact CD2-CD2 3.42Å; L300-Y309 VanDerWaalsContact CD2-CD2 3.42Å; L300-Y309 HydrophobicContact CD2-CE2 2.98Å; L300-Y309 HydrophobicContact CG-CD2 3.92Å; L300-Y309 HydrophobicContact CG-CE2 3.99Å; C307-Y309 HydrophobicContact CB-CD2 4.07Å; C307-Y309 HydrophobicContact CB-CE2 4.15Å; Y309-I312 HydrophobicContact CD1-CB 3.86Å; Y309-I312 HydrophobicContact CD1-CD1 3.29Å; Y309-I312 HydrophobicContact CD1-CG1 4.02Å; Y309-I312 HydrophobicContact CD1-CG2 4.24Å; Y309-I312 HydrophobicContact CE1-CD1 3.52Å; Y309-I312 HydrophobicContact CE1-CG1 4.48Å; Y309-I312 HydrophobicContact CG-CD1 4.15Å; Y309-I312 HydrophobicContact CG-CG2 4.48Å
310	V	64.1	Low	77.3	Confident	75 Å²	75	31.5 Å²	31.5	46%	0.455	16%	0.164	S	C	.	.			trans	-85	122.2	-179.8	-176.8	0	0	0	0	109.2	D297 K308 I312	D297-V310 VanDerWaalsContact OD1-CA 3.27Å; D297-V310 WeakPolarHBondContact OD1-CA 3.48Å; K308-V310 HydrophobicContact CD-CG2 3.75Å; K308-V310 HydrophobicContact CG-CG2 4.13Å; V310-I312 PolarHBondContact O-N 3.01Å
311	N	68	Low	76.9	Confident	56 Å²	56	32.9 Å²	32.9	30%	0.299	17%	0.17	S	C	.	.	S	Bend	trans	59.6	13.3	170.1	-146.6	30.5	0	0	0	117.8	D297 M313 N314 E315	D297-N311 PolarHBondContact OD1-N 3.17Å; N311-M313 VanDerWaalsContact C-N 3.29Å; N311-M313 PolarHBondContact O-N 2.84Å; N311-N314 WeakPolarHBondContact O-CB 3.4Å; N311-N314 PolarHBondContact O-N 3.18Å; N311-N314 VanDerWaalsContact O-N 3.07Å; N311-N314 WeakPolarHBondContact OD1-CB 3.5Å; N311-E315 PolarHBondContact O-N 2.8Å
312	I	66.9	Low	76.4	Confident	8 Å²	8	36.6 Å²	36.6	4%	0.041	19%	0.189	C	C	.	.	H	α-helix	trans	-57.9	-40.3	-178.8	-165.7	175	0	0	0	112.6	L150 V298 Y309 V310 N314 E315 R316	L150-I312 HydrophobicContact CB-CD1 4.22Å; L150-I312 HydrophobicContact CD1-CD1 4.36Å; L150-I312 HydrophobicContact CD2-CD1 3.32Å; L150-I312 HydrophobicContact CD2-CG1 4.05Å; L150-I312 HydrophobicContact CG-CD1 4.14Å; V298-I312 HydrophobicContact CG2-CG2 3.99Å; Y309-I312 HydrophobicContact CD1-CB 3.86Å; Y309-I312 HydrophobicContact CD1-CD1 3.29Å; Y309-I312 HydrophobicContact CD1-CG1 4.02Å; Y309-I312 HydrophobicContact CD1-CG2 4.24Å; Y309-I312 HydrophobicContact CE1-CD1 3.52Å; Y309-I312 HydrophobicContact CE1-CG1 4.48Å; Y309-I312 HydrophobicContact CG-CD1 4.15Å; Y309-I312 HydrophobicContact CG-CG2 4.48Å; V310-I312 PolarHBondContact O-N 3.01Å; I312-N314 PolarHBondContact O-N 2.82Å; I312-E315 PolarHBondContact O-N 2.67Å; I312-R316 HydrophobicContact CG1-CG 4.44Å; I312-R316 WeakPolarHBondContact O-CB 3.26Å; I312-R316 WeakPolarHBondContact O-CG 3.39Å; I312-R316 PolarHBondContact O-N 3.22Å
313	M	74.3	Confident	76.1	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-73.5	-23.1	-177.3	-52.5	-54.8	176.5	0	0	110.9	T184 S188 Y205 Y296 V298 N311 C317	T184-M313 HydrophobicContact CG2-CE 3.89Å; T184-M313 HydrophobicContact CG2-CG 4.36Å; T184-M313 HydrophobicContact CG2-SD 3.16Å; T184-M313 WeakPolarHBondContact CG2-SD 3.44Å; S188-M313 VanDerWaalsContact OG-CB 3.25Å; S188-M313 WeakPolarHBondContact OG-CB 3.37Å; S188-M313 WeakPolarHBondContact OG-CG 3.48Å; Y205-M313 HydrophobicContact CD2-CE 3.22Å; Y205-M313 HydrophobicContact CE2-CE 3.69Å; Y205-M313 HydrophobicContact CG-CE 3.82Å; Y296-M313 HydrophobicContact CD1-CB 4.2Å; V298-M313 HydrophobicContact CG1-CE 3.87Å; V298-M313 HydrophobicContact CG1-CG 3.91Å; V298-M313 HydrophobicContact CG2-CE 3.92Å; N311-M313 VanDerWaalsContact C-N 3.29Å; N311-M313 PolarHBondContact O-N 2.84Å; M313-C317 WeakPolarHBondContact O-CB 3.45Å; M313-C317 PolarHBondContact O-N 2.91Å; M313-C317 PolarHBondContact O-SG 3.46Å
314	N	76.6	Confident	76.2	Confident	55 Å²	55	36 Å²	36	29%	0.294	19%	0.185	S	C	.	.	H	α-helix	trans	-69.9	-44.8	172.5	-171.4	53.6	0	0	0	111.1	Y296 N311 I312 C317 S318	Y296-N314 HydrophobicContact CD2-CB 3.7Å; Y296-N314 HydrophobicContact CE2-CB 4.42Å; Y296-N314 HydrophobicContact CG-CB 3.79Å; N311-N314 WeakPolarHBondContact O-CB 3.4Å; N311-N314 PolarHBondContact O-N 3.18Å; N311-N314 VanDerWaalsContact O-N 3.07Å; N311-N314 WeakPolarHBondContact OD1-CB 3.5Å; I312-N314 PolarHBondContact O-N 2.82Å; N314-C317 PolarHBondContact O-N 3.43Å; N314-S318 VanDerWaalsContact O-CB 3.28Å; N314-S318 WeakPolarHBondContact O-CB 3.15Å; N314-S318 PolarHBondContact O-N 3.47Å
315	E	73.1	Confident	75.9	Confident	113 Å²	113	41 Å²	41	53%	0.528	21%	0.212	S	C	.	.	H	α-helix	trans	-60.6	-48	175	-67.4	-177.6	175.5	0	0	110.4	N311 I312 C317 S318	N311-E315 PolarHBondContact O-N 2.8Å; I312-E315 PolarHBondContact O-N 2.67Å; E315-C317 PolarHBondContact O-N 3.27Å; E315-S318 PolarHBondContact O-N 3.32Å; E315-S318 PolarHBondContact O-OG 2.95Å
316	R	76.6	Confident	75.4	Confident	17 Å²	17	42.6 Å²	42.6	6%	0.064	22%	0.224	C	C	.	.	H	α-helix	trans	-61.6	-41.5	178.8	-68.1	-176.8	77.5	175.3	8.2	114.3	Y144 D180 Y205 I312	Y144-R316 HydrophobicContact CE2-CB 4.15Å; Y144-R316 HydrophobicContact CE2-CG 4.07Å; Y144-R316 WeakPolarHBondContact OH-CA 3.49Å; Y144-R316 WeakPolarHBondContact OH-CB 3.09Å; Y144-R316 WeakPolarHBondContact OH-CG 3.43Å; Y144-R316 PolarHBondContact OH-O 3.2Å; D180-R316 VanDerWaalsContact CG-CZ 3.48Å; D180-R316 IonicContact OD1-CZ 3.97Å; D180-R316 IonicContact OD1-NE 3.78Å; D180-R316 PolarHBondContact OD1-NE 3.47Å; D180-R316 VanDerWaalsContact OD1-NE 3.16Å; D180-R316 IonicContact OD1-NH1 2.92Å; D180-R316 IonicContact OD1-NH2 2.82Å; D180-R316 PolarHBondContact OD1-NH2 2.65Å; D180-R316 IonicContact OD2-CZ 3.09Å; D180-R316 VanDerWaalsContact OD2-CZ 3.24Å; D180-R316 IonicContact OD2-NE 3.79Å; D180-R316 PolarHBondContact OD2-NE 3.21Å; D180-R316 IonicContact OD2-NH2 3.47Å; D180-R316 PolarHBondContact OD2-NH2 2.85Å; Y205-R316 VanDerWaalsContact CZ-NH1 3.28Å; Y205-R316 PolarHBondContact OH-NH1 2.92Å; I312-R316 HydrophobicContact CG1-CG 4.44Å; I312-R316 WeakPolarHBondContact O-CB 3.26Å; I312-R316 WeakPolarHBondContact O-CG 3.39Å; I312-R316 PolarHBondContact O-N 3.22Å
317	C	83.4	Confident	74.8	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.007	23%	0.234	C	C	.	.	H	α-helix	trans	-89.9	-10.3	-175.5	-56.9	0	0	0	0	113.6	C185 M313 N314 E315 F319 W320 K321 L328	C185-C317 WeakPolarHBondContact CA-SG 3.38Å; C185-C317 HydrophobicContact CB-CB 3.69Å; C185-C317 WeakPolarHBondContact CB-SG 3.45Å; C185-C317 WeakPolarHBondContact SG-CA 3.48Å; C185-C317 WeakPolarHBondContact SG-CB 3.03Å; C185-C317 CovalentContact SG-SG 2.04Å; C185-C317 PolarHBondContact SG-SG 2.88Å; M313-C317 WeakPolarHBondContact O-CB 3.45Å; M313-C317 PolarHBondContact O-N 2.91Å; M313-C317 PolarHBondContact O-SG 3.46Å; N314-C317 PolarHBondContact O-N 3.43Å; E315-C317 PolarHBondContact O-N 3.27Å; C317-F319 VanDerWaalsContact C-N 3.3Å; C317-F319 PolarHBondContact O-N 3.46Å; C317-W320 PolarHBondContact O-N 2.91Å; C317-K321 WeakPolarHBondContact O-CB 3.11Å; C317-K321 VanDerWaalsContact O-CG 3.26Å; C317-K321 WeakPolarHBondContact O-CG 3.34Å; C317-K321 PolarHBondContact O-N 3.4Å; C317-L328 HydrophobicContact CB-CD1 4.2Å
318	S	79.3	Confident	74.3	Confident	49 Å²	49	44.6 Å²	44.6	34%	0.343	23%	0.234	S	C	.	.	H	α-helix	trans	-57.6	-44.5	173.7	68.4	0	0	0	0	111.4	N314 E315 W320 K321 L322	N314-S318 VanDerWaalsContact O-CB 3.28Å; N314-S318 WeakPolarHBondContact O-CB 3.15Å; N314-S318 PolarHBondContact O-N 3.47Å; E315-S318 PolarHBondContact O-N 3.32Å; E315-S318 PolarHBondContact O-OG 2.95Å; S318-W320 PolarHBondContact O-N 3.31Å; S318-K321 PolarHBondContact O-N 3.01Å; S318-L322 WeakPolarHBondContact O-CG 3.45Å; S318-L322 PolarHBondContact O-N 3.39Å
319	F	77.7	Confident	74	Confident	4 Å²	4	47 Å²	47	2%	0.018	25%	0.245	C	C	.	.	H	α-helix	trans	-56.5	-50.7	173.9	169.9	-97	0	0	0	112.1	L130 I132 Y141 Y144 I145 L177 C317 L322 L323	L130-F319 HydrophobicContact CD1-CE1 4.21Å; L130-F319 HydrophobicContact CD1-CZ 3.84Å; I132-F319 HydrophobicContact CD1-CZ 4.25Å; Y141-F319 AromaticContact CD1-CD2 3.56Å; Y141-F319 HydrophobicContact CD1-CD2 3.56Å; Y141-F319 AromaticContact CD1-CE2 3.48Å; Y141-F319 HydrophobicContact CD1-CE2 3.48Å; Y141-F319 VanDerWaalsContact CD1-CE2 3.48Å; Y141-F319 HydrophobicContact CE1-CD2 4.44Å; Y141-F319 HydrophobicContact CE1-CE2 4.44Å; Y141-F319 HydrophobicContact CG-CD2 4.39Å; Y141-F319 HydrophobicContact CG-CE2 4.07Å; Y144-F319 HydrophobicContact CD1-CB 3.23Å; Y144-F319 AromaticContact CD1-CD1 3.67Å; Y144-F319 HydrophobicContact CD1-CD1 3.67Å; Y144-F319 AromaticContact CD1-CD2 3.77Å; Y144-F319 HydrophobicContact CD1-CD2 3.77Å; Y144-F319 HydrophobicContact CD1-CE1 4.49Å; Y144-F319 AromaticContact CD1-CG 3.26Å; Y144-F319 HydrophobicContact CD1-CG 3.26Å; Y144-F319 HydrophobicContact CD2-CB 4.31Å; Y144-F319 HydrophobicContact CE1-CB 3.74Å; Y144-F319 AromaticContact CE1-CD1 3.86Å; Y144-F319 HydrophobicContact CE1-CD1 3.86Å; Y144-F319 AromaticContact CE1-CG 3.87Å; Y144-F319 HydrophobicContact CE1-CG 3.87Å; Y144-F319 HydrophobicContact CG-CB 3.54Å; Y144-F319 HydrophobicContact CG-CD2 4.29Å; Y144-F319 AromaticContact CG-CG 3.97Å; Y144-F319 HydrophobicContact CG-CG 3.97Å; I145-F319 HydrophobicContact CD1-CE2 3.92Å; I145-F319 HydrophobicContact CD1-CZ 4.12Å; I145-F319 HydrophobicContact CG1-CE2 3.91Å; I145-F319 HydrophobicContact CG1-CZ 4.1Å; L177-F319 HydrophobicContact CD1-CE1 4.34Å; C317-F319 VanDerWaalsContact C-N 3.3Å; C317-F319 PolarHBondContact O-N 3.46Å; F319-L322 PolarHBondContact O-N 2.63Å; F319-L323 HydrophobicContact CE1-CD2 4.11Å; F319-L323 HydrophobicContact CZ-CD2 4.04Å; F319-L323 WeakPolarHBondContact O-CB 3.26Å; F319-L323 PolarHBondContact O-N 2.83Å
320	W	80.3	Confident	73.8	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-67	-37.3	-179.3	-68	106.5	0	0	0	112.1	L130 L177 D180 C185 C317 S318 L323 Y324 L328 F335	L130-W320 HydrophobicContact CD1-CH2 4.4Å; L130-W320 HydrophobicContact CD2-CH2 3.99Å; L130-W320 HydrophobicContact CD2-CZ3 4.12Å; L177-W320 HydrophobicContact CD1-CH2 4.41Å; L177-W320 HydrophobicContact CD1-CZ2 3.59Å; L177-W320 HydrophobicContact CG-CH2 4.44Å; L177-W320 HydrophobicContact CG-CZ2 3.84Å; L177-W320 VanDerWaalsContact O-CZ2 3.24Å; L177-W320 WeakPolarHBondContact O-CZ2 3.5Å; D180-W320 VanDerWaalsContact CB-NE1 3.26Å; C185-W320 VanDerWaalsContact SG-CD1 3.52Å; C317-W320 PolarHBondContact O-N 2.91Å; S318-W320 PolarHBondContact O-N 3.31Å; W320-L323 HydrophobicContact CE3-CD2 4.43Å; W320-L323 HydrophobicContact CZ3-CD2 4.12Å; W320-L323 PolarHBondContact O-N 2.9Å; W320-Y324 AromaticContact CE3-CD2 3.93Å; W320-Y324 HydrophobicContact CE3-CD2 3.93Å; W320-Y324 AromaticContact CE3-CE2 3.52Å; W320-Y324 HydrophobicContact CE3-CE2 3.52Å; W320-Y324 AromaticContact CZ3-CE2 3.66Å; W320-Y324 HydrophobicContact CZ3-CE2 3.66Å; W320-Y324 WeakPolarHBondContact O-CB 3.49Å; W320-Y324 WeakPolarHBondContact O-CD2 3.4Å; W320-Y324 PolarHBondContact O-N 3.07Å; W320-L328 HydrophobicContact CB-CD2 3.33Å; W320-F335 HydrophobicContact CH2-CD2 4.39Å; W320-F335 AromaticContact CH2-CE2 3.56Å; W320-F335 HydrophobicContact CH2-CE2 3.56Å; W320-F335 HydrophobicContact CH2-CZ 4.34Å; W320-F335 HydrophobicContact CZ2-CE2 4.16Å
321	K	80.4	Confident	73.9	Confident	31 Å²	31	48.7 Å²	48.7	14%	0.135	25%	0.248	C	C	.	.	H	α-helix	trans	-61.7	-45	173.9	-77.5	176.5	-178.9	179	0	110.8	E189 Y296 C317 S318 Y324 N325 N326 L328	E189-K321 IonicContact OE2-NZ 2.95Å; Y296-K321 PolarHBondContact OH-NZ 3.24Å; C317-K321 WeakPolarHBondContact O-CB 3.11Å; C317-K321 VanDerWaalsContact O-CG 3.26Å; C317-K321 WeakPolarHBondContact O-CG 3.34Å; C317-K321 PolarHBondContact O-N 3.4Å; S318-K321 PolarHBondContact O-N 3.01Å; K321-Y324 PolarHBondContact O-N 3Å; K321-N325 PolarHBondContact O-N 3Å; K321-N325 VanDerWaalsContact O-N 3.13Å; K321-N326 PolarHBondContact O-N 3.37Å; K321-L328 HydrophobicContact CB-CD2 4.49Å; K321-L328 HydrophobicContact CD-CD1 4.33Å; K321-L328 HydrophobicContact CG-CD1 3.82Å; K321-L328 HydrophobicContact CG-CD2 3.77Å; K321-L328 HydrophobicContact CG-CG 3.77Å
322	L	77.9	Confident	73.7	Confident	79 Å²	79	47.1 Å²	47.1	41%	0.414	24%	0.24	S	C	.	.	H	α-helix	trans	-62.5	-46.6	176.2	-71.6	169.9	0	0	0	111.8	Y141 S318 F319 Y324	Y141-L322 HydrophobicContact CE1-CB 3.92Å; Y141-L322 HydrophobicContact CE1-CD1 4.48Å; S318-L322 WeakPolarHBondContact O-CG 3.45Å; S318-L322 PolarHBondContact O-N 3.39Å; F319-L322 PolarHBondContact O-N 2.63Å; L322-Y324 VanDerWaalsContact C-N 3.28Å; L322-Y324 PolarHBondContact O-N 3.01Å
323	L	76.8	Confident	73.6	Confident	41 Å²	41	56.2 Å²	56.2	22%	0.215	27%	0.274	C	S	.	.	H	α-helix	trans	-67.3	-27.4	-177.2	-171.1	60.2	0	0	0	113.2	L130 I132 F319 W320	L130-L323 HydrophobicContact CB-CD2 4.35Å; L130-L323 HydrophobicContact CD1-CD2 4.13Å; L130-L323 HydrophobicContact CD2-CD2 4.18Å; L130-L323 HydrophobicContact CG-CD2 4.47Å; I132-L323 HydrophobicContact CD1-CD1 4.42Å; I132-L323 HydrophobicContact CG1-CD1 4.05Å; F319-L323 HydrophobicContact CE1-CD2 4.11Å; F319-L323 HydrophobicContact CZ-CD2 4.04Å; F319-L323 WeakPolarHBondContact O-CB 3.26Å; F319-L323 PolarHBondContact O-N 2.83Å; W320-L323 HydrophobicContact CE3-CD2 4.43Å; W320-L323 HydrophobicContact CZ3-CD2 4.12Å; W320-L323 PolarHBondContact O-N 2.9Å
324	Y	76.2	Confident	73.1	Confident	18 Å²	18	61.3 Å²	61.3	7%	0.071	30%	0.296	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118	25.2	-174.9	-67.9	-78.6	0	0	0	114.5	W320 K321 L322 N326 N327 Q330 K334	W320-Y324 AromaticContact CE3-CD2 3.93Å; W320-Y324 HydrophobicContact CE3-CD2 3.93Å; W320-Y324 AromaticContact CE3-CE2 3.52Å; W320-Y324 HydrophobicContact CE3-CE2 3.52Å; W320-Y324 AromaticContact CZ3-CE2 3.66Å; W320-Y324 HydrophobicContact CZ3-CE2 3.66Å; W320-Y324 WeakPolarHBondContact O-CB 3.49Å; W320-Y324 WeakPolarHBondContact O-CD2 3.4Å; W320-Y324 PolarHBondContact O-N 3.07Å; K321-Y324 PolarHBondContact O-N 3Å; L322-Y324 VanDerWaalsContact C-N 3.28Å; L322-Y324 PolarHBondContact O-N 3.01Å; Y324-N326 VanDerWaalsContact C-N 3.27Å; Y324-N326 PolarHBondContact O-N 3.46Å; Y324-N327 WeakPolarHBondContact CB-O 3.31Å; Y324-N327 WeakPolarHBondContact O-CB 3.47Å; Y324-N327 PolarHBondContact O-N 3.36Å; Y324-Q330 HydrophobicContact CD1-CB 3.83Å; Y324-Q330 HydrophobicContact CG-CB 4.44Å; Y324-K334 HydrophobicContact CE1-CD 4.18Å; Y324-K334 HydrophobicContact CE1-CG 3.91Å; Y324-K334 WeakPolarHBondContact OH-CD 3.27Å; Y324-K334 WeakPolarHBondContact OH-CE 3.29Å; Y324-K334 WeakPolarHBondContact OH-CG 3.49Å
325	N	74.1	Confident	72.3	Confident	148 Å²	148	59.4 Å²	59.4	79%	0.791	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.4	46.6	178.1	-65	-28.2	0	0	0	113	K321 N327	K321-N325 PolarHBondContact O-N 3Å; K321-N325 VanDerWaalsContact O-N 3.13Å; N325-N327 PolarHBondContact O-N 3.26Å
326	N	74.1	Confident	72.3	Confident	126 Å²	126	56.7 Å²	56.7	67%	0.674	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.7	5	-175.3	-59.8	-51.5	0	0	0	116.2	K321 Y324 L328	K321-N326 PolarHBondContact O-N 3.37Å; Y324-N326 VanDerWaalsContact C-N 3.27Å; Y324-N326 PolarHBondContact O-N 3.46Å; N326-L328 PolarHBondContact O-N 3.28Å
327	N	71.3	Confident	72.1	Confident	65 Å²	65	58.8 Å²	58.8	35%	0.348	28%	0.284	S	S	.	.			trans	-95.3	81.2	174.9	-167.3	-16.3	0	0	0	111.6	Y324 N325 F329 Q330	Y324-N327 WeakPolarHBondContact CB-O 3.31Å; Y324-N327 WeakPolarHBondContact O-CB 3.47Å; Y324-N327 PolarHBondContact O-N 3.36Å; N325-N327 PolarHBondContact O-N 3.26Å; N327-F329 PolarHBondContact O-N 3.5Å; N327-F329 PolarHBondContact OD1-N 3.47Å; N327-Q330 HydrophobicContact CB-CG 4.17Å; N327-Q330 PolarHBondContact ND2-NE2 3.05Å; N327-Q330 WeakPolarHBondContact O-CB 3.31Å; N327-Q330 PolarHBondContact O-N 3.35Å
328	L	69.3	Low	71.4	Confident	4 Å²	4	62 Å²	62	2%	0.021	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-61.7	-24.7	-179.8	-70.9	174.6	0	0	0	113.8	C185 E189 C317 W320 K321 N326 Q330 S331	C185-L328 HydrophobicContact CB-CD1 3.93Å; C185-L328 HydrophobicContact CB-CD2 3.83Å; C185-L328 HydrophobicContact CB-CG 4.31Å; E189-L328 HydrophobicContact CB-CD1 4.17Å; C317-L328 HydrophobicContact CB-CD1 4.2Å; W320-L328 HydrophobicContact CB-CD2 3.33Å; K321-L328 HydrophobicContact CB-CD2 4.49Å; K321-L328 HydrophobicContact CD-CD1 4.33Å; K321-L328 HydrophobicContact CG-CD1 3.82Å; K321-L328 HydrophobicContact CG-CD2 3.77Å; K321-L328 HydrophobicContact CG-CG 3.77Å; N326-L328 PolarHBondContact O-N 3.28Å; L328-Q330 PolarHBondContact O-N 2.98Å; L328-S331 PolarHBondContact O-N 3.28Å; L328-S331 PolarHBondContact O-OG 3.08Å
329	F	65.7	Low	71	Confident	95 Å²	95	62.8 Å²	62.8	42%	0.417	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-68.5	-19.2	175.6	-65.9	-77.4	0	0	0	112.9	P186 E189 N327 S331 T332	P186-F329 HydrophobicContact CB-CD1 4.1Å; P186-F329 HydrophobicContact CB-CE1 4.08Å; E189-F329 HydrophobicContact CG-CE2 4.45Å; N327-F329 PolarHBondContact O-N 3.5Å; N327-F329 PolarHBondContact OD1-N 3.47Å; F329-S331 VanDerWaalsContact C-N 3.35Å; F329-T332 PolarHBondContact O-OG1 3.11Å
330	Q	64.3	Low	70.5	Confident	113 Å²	113	66.4 Å²	66.4	53%	0.528	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-77	-20.2	174.3	-70.9	-177	-1.2	0	0	113.4	Y324 N327 L328 T332	Y324-Q330 HydrophobicContact CD1-CB 3.83Å; Y324-Q330 HydrophobicContact CG-CB 4.44Å; N327-Q330 HydrophobicContact CB-CG 4.17Å; N327-Q330 PolarHBondContact ND2-NE2 3.05Å; N327-Q330 WeakPolarHBondContact O-CB 3.31Å; N327-Q330 PolarHBondContact O-N 3.35Å; L328-Q330 PolarHBondContact O-N 2.98Å; Q330-T332 VanDerWaalsContact C-N 3.29Å
331	S	66.7	Low	69.9	Low	0 Å²	0	70.9 Å²	70.9	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-75.7	-21.3	178.3	68	0	0	0	0	112.4	S181 L328 F329 W333 K334	S181-S331 CarbonylContact O-C 3.28Å; S181-S331 PolarHBondContact O-OG 2.88Å; L328-S331 PolarHBondContact O-N 3.28Å; L328-S331 PolarHBondContact O-OG 3.08Å; F329-S331 VanDerWaalsContact C-N 3.35Å; S331-W333 PolarHBondContact O-N 3.31Å; S331-K334 PolarHBondContact O-N 3.49Å
332	T	63.7	Low	69.1	Low	23 Å²	23	73.7 Å²	73.7	14%	0.141	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-54.8	-25.7	-173.4	-53.3	0	0	0	0	114.5	S181 R182 P186 F329 Q330	S181-T332 WeakPolarHBondContact O-CA 3.2Å; S181-T332 PolarHBondContact O-N 3.47Å; R182-T332 WeakPolarHBondContact CG-O 3.33Å; P186-T332 WeakPolarHBondContact CG-OG1 3.36Å; F329-T332 PolarHBondContact O-OG1 3.11Å; Q330-T332 VanDerWaalsContact C-N 3.29Å
333	W	63.4	Low	68.5	Low	199 Å²	199	73.3 Å²	73.3	75%	0.754	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-114.3	16.3	-171.8	-56	109.6	0	0	0	114.6	S331	S331-W333 PolarHBondContact O-N 3.31Å
334	K	63.7	Low	67.8	Low	107 Å²	107	76 Å²	76	47%	0.465	36%	0.356	S	S	.	.			trans	-90.6	-24.3	-167.2	-78	-81.1	-161.3	-159.6	0	115.6	Y324 S331	Y324-K334 HydrophobicContact CE1-CD 4.18Å; Y324-K334 HydrophobicContact CE1-CG 3.91Å; Y324-K334 WeakPolarHBondContact OH-CD 3.27Å; Y324-K334 WeakPolarHBondContact OH-CE 3.29Å; Y324-K334 WeakPolarHBondContact OH-CG 3.49Å; S331-K334 PolarHBondContact O-N 3.49Å
335	F	60.8	Low	67	Low	14 Å²	14	81.3 Å²	81.3	6%	0.061	38%	0.382	C	S	.	.			trans	-94.4	0	176.8	-80.2	-71.2	0	0	0	113.1	L47 I126 K129 L130 L177 I178 R182 W320	L47-F335 VanDerWaalsContact CD1-O 3.28Å; L47-F335 WeakPolarHBondContact CD1-O 3.43Å; L47-F335 WeakPolarHBondContact CD1-OXT 3.38Å; I126-F335 HydrophobicContact CD1-CE1 4.21Å; I126-F335 HydrophobicContact CD1-CZ 4.28Å; K129-F335 HydrophobicContact CB-CD1 4.41Å; K129-F335 HydrophobicContact CB-CE1 4.03Å; L130-F335 HydrophobicContact CD1-CZ 4.37Å; L130-F335 HydrophobicContact CD2-CE1 4.32Å; L130-F335 HydrophobicContact CD2-CE2 3.98Å; L130-F335 HydrophobicContact CD2-CZ 3.71Å; L130-F335 HydrophobicContact CG-CZ 4.08Å; L177-F335 HydrophobicContact CD2-CE2 4.24Å; L177-F335 HydrophobicContact CD2-CZ 3.69Å; L177-F335 HydrophobicContact CG-CE2 4.15Å; L177-F335 HydrophobicContact CG-CZ 4.1Å; I178-F335 HydrophobicContact CB-CB 4.43Å; I178-F335 HydrophobicContact CB-CD2 4.16Å; I178-F335 HydrophobicContact CB-CG 4.36Å; I178-F335 HydrophobicContact CD1-CB 4.28Å; I178-F335 HydrophobicContact CD1-CD1 4.37Å; I178-F335 HydrophobicContact CD1-CG 4.3Å; I178-F335 HydrophobicContact CG1-CB 3.87Å; I178-F335 HydrophobicContact CG1-CD1 3.9Å; I178-F335 HydrophobicContact CG1-CD2 3.7Å; I178-F335 HydrophobicContact CG1-CE1 4.33Å; I178-F335 HydrophobicContact CG1-CE2 4.06Å; I178-F335 HydrophobicContact CG1-CG 3.57Å; I178-F335 HydrophobicContact CG1-CZ 4.4Å; I178-F335 HydrophobicContact CG2-CB 3.89Å; I178-F335 HydrophobicContact CG2-CD2 4.32Å; I178-F335 HydrophobicContact CG2-CG 4.33Å; R182-F335 PolarHBondContact NH2-O 3.45Å; W320-F335 HydrophobicContact CH2-CD2 4.39Å; W320-F335 AromaticContact CH2-CE2 3.56Å; W320-F335 HydrophobicContact CH2-CE2 3.56Å; W320-F335 HydrophobicContact CH2-CZ 4.34Å; W320-F335 HydrophobicContact CZ2-CE2 4.16Å

Retrieved 335 of 335 residues in 773.3 ms (Link to these results)

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