A0A2K6RI91_RHIRO Loading...

mitogen-activated protein kinase kinase kinase

AlphaFold DB , UniProt , Accession A0A2K6RI91, Species RHIRO (Rhinopithecus roxellana, Golden snub-nosed monkey), Gene MAP3K2, Length 620 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	46.9	Very low	51.4	Low	230 Å²	230	114.4 Å²	114.4	100%	1.133	60%	0.602	S	S	*	*				0	69.1	0	-58.2	-177.1	-174.1	0	0	110.3
2	M	40.7	Very low	51.4	Low	155 Å²	155	113.1 Å²	113.1	76%	0.764	59%	0.593	S	S	*	*			trans	-149.4	-25.3	170.9	-90.5	-167.3	179.3	0	0	112.9
3	D	51.9	Low	51.5	Low	127 Å²	127	114.7 Å²	114.7	68%	0.679	60%	0.595	S	S	*	*	H	α-helix	trans	-64.4	-44.8	176.8	-81.6	-51.6	0	0	0	113.6	Q5 Q6 A7	D3-Q5 PolarHBondContact O-N 3.3Å; D3-Q5 VanDerWaalsContact O-N 3.14Å; D3-Q6 CarbonylContact O-C 3.56Å; D3-Q6 WeakPolarHBondContact O-CA 3.34Å; D3-Q6 PolarHBondContact O-N 2.88Å; D3-A7 PolarHBondContact O-N 2.84Å
4	D	48.9	Very low	51.7	Low	125 Å²	125	113 Å²	113	67%	0.668	59%	0.587	S	S	*	*	H	α-helix	trans	-58.8	-36.9	-169.6	-45.6	-79.5	0	0	0	112.5	L8	D4-L8 VanDerWaalsContact O-CB 3.28Å; D4-L8 WeakPolarHBondContact O-CB 3.14Å; D4-L8 PolarHBondContact O-N 2.92Å
5	Q	45.6	Very low	51.3	Low	110 Å²	110	112.5 Å²	112.5	51%	0.514	59%	0.585	S	S	.	*	H	α-helix	trans	-75.5	-29.9	177	-166.8	62.4	57.8	0	0	112.5	D3 N9	D3-Q5 PolarHBondContact O-N 3.3Å; D3-Q5 VanDerWaalsContact O-N 3.14Å; Q5-N9 PolarHBondContact NE2-OD1 3.48Å; Q5-N9 VanDerWaalsContact O-CB 3.27Å; Q5-N9 WeakPolarHBondContact O-CB 3.44Å; Q5-N9 PolarHBondContact O-N 2.84Å; Q5-N9 PolarHBondContact O-ND2 2.89Å
6	Q	51.8	Low	51.1	Low	134 Å²	134	108.4 Å²	108.4	63%	0.626	57%	0.573	S	S	*	*	H	α-helix	trans	-74.2	-41.6	172.5	-67	-166.3	10	0	0	111.3	D3 N9 S10	D3-Q6 CarbonylContact O-C 3.56Å; D3-Q6 WeakPolarHBondContact O-CA 3.34Å; D3-Q6 PolarHBondContact O-N 2.88Å; Q6-N9 PolarHBondContact O-N 2.98Å; Q6-S10 PolarHBondContact O-N 2.86Å
7	A	57.1	Low	51.1	Low	52 Å²	52	107.2 Å²	107.2	43%	0.43	57%	0.571	S	S	.	*	H	α-helix	trans	-59.4	-48.5	172.8	0	0	0	0	0	111.3	D3 N9 S10 I11	D3-A7 PolarHBondContact O-N 2.84Å; A7-N9 PolarHBondContact O-N 2.81Å; A7-S10 PolarHBondContact O-N 3.05Å; A7-I11 VanDerWaalsContact O-CG1 3.3Å; A7-I11 WeakPolarHBondContact O-CG1 3.08Å; A7-I11 PolarHBondContact O-N 2.8Å
8	L	49.3	Very low	50.6	Low	89 Å²	89	108.1 Å²	108.1	47%	0.466	57%	0.574	S	S	.	*	H	α-helix	trans	-61.4	-42.1	176.6	-174.2	65.1	0	0	0	112.1	D4 I11 M12	D4-L8 VanDerWaalsContact O-CB 3.28Å; D4-L8 WeakPolarHBondContact O-CB 3.14Å; D4-L8 PolarHBondContact O-N 2.92Å; L8-I11 PolarHBondContact O-N 3.36Å; L8-M12 HydrophobicContact CG-CE 4.35Å; L8-M12 WeakPolarHBondContact O-CG 3.45Å; L8-M12 PolarHBondContact O-N 3.31Å
9	N	53.5	Low	50.3	Low	75 Å²	75	110.8 Å²	110.8	40%	0.401	58%	0.583	S	S	.	*	H	α-helix	trans	-65	-41.4	175.5	-76.1	-13.1	0	0	0	112	Q5 Q6 A7 M12 Q13	Q5-N9 PolarHBondContact NE2-OD1 3.48Å; Q5-N9 VanDerWaalsContact O-CB 3.27Å; Q5-N9 WeakPolarHBondContact O-CB 3.44Å; Q5-N9 PolarHBondContact O-N 2.84Å; Q5-N9 PolarHBondContact O-ND2 2.89Å; Q6-N9 PolarHBondContact O-N 2.98Å; A7-N9 PolarHBondContact O-N 2.81Å; N9-M12 PolarHBondContact O-N 2.81Å; N9-M12 WeakPolarHBondContact OD1-CE 3.29Å; N9-Q13 WeakPolarHBondContact O-CB 3.45Å; N9-Q13 PolarHBondContact O-N 3.46Å
10	S	60.6	Low	49.9	Very low	62 Å²	62	113.6 Å²	113.6	43%	0.434	59%	0.59	S	S	.	*	H	α-helix	trans	-61.3	-47.7	175.7	-163	0	0	0	0	111.3	Q6 A7 M12 Q13 D14	Q6-S10 PolarHBondContact O-N 2.86Å; A7-S10 PolarHBondContact O-N 3.05Å; S10-M12 VanDerWaalsContact C-N 3.3Å; S10-M12 PolarHBondContact O-N 3.24Å; S10-Q13 WeakPolarHBondContact O-CA 3.43Å; S10-Q13 WeakPolarHBondContact O-CB 3.47Å; S10-Q13 PolarHBondContact O-N 2.91Å; S10-D14 PolarHBondContact O-N 3.33Å
11	I	59.4	Low	49.4	Very low	99 Å²	99	112.2 Å²	112.2	51%	0.508	60%	0.596	S	S	.	*	H	α-helix	trans	-59.8	-40.5	177.8	-67.6	163.9	0	0	0	111	A7 L8 L15	A7-I11 VanDerWaalsContact O-CG1 3.3Å; A7-I11 WeakPolarHBondContact O-CG1 3.08Å; A7-I11 PolarHBondContact O-N 2.8Å; L8-I11 PolarHBondContact O-N 3.36Å; I11-L15 HydrophobicContact CG2-CD1 3.98Å; I11-L15 WeakPolarHBondContact O-CB 3.28Å; I11-L15 WeakPolarHBondContact O-CD1 3.38Å; I11-L15 VanDerWaalsContact O-CG 3.23Å; I11-L15 WeakPolarHBondContact O-CG 3.41Å; I11-L15 PolarHBondContact O-N 3.06Å
12	M	50.8	Low	49	Very low	99 Å²	99	106.4 Å²	106.4	49%	0.488	58%	0.578	S	S	.	*	H	α-helix	trans	-67.3	-35.5	173	-71.9	-167.3	-63	0	0	113	L8 N9 S10 A16	L8-M12 HydrophobicContact CG-CE 4.35Å; L8-M12 WeakPolarHBondContact O-CG 3.45Å; L8-M12 PolarHBondContact O-N 3.31Å; N9-M12 PolarHBondContact O-N 2.81Å; N9-M12 WeakPolarHBondContact OD1-CE 3.29Å; S10-M12 VanDerWaalsContact C-N 3.3Å; S10-M12 PolarHBondContact O-N 3.24Å; M12-A16 VanDerWaalsContact O-CB 3.28Å; M12-A16 WeakPolarHBondContact O-CB 3.22Å; M12-A16 PolarHBondContact O-N 2.99Å
13	Q	53.4	Low	48.8	Very low	134 Å²	134	109.4 Å²	109.4	63%	0.626	58%	0.58	S	S	*	*	H	α-helix	trans	-61.9	-49.1	175.2	-150.2	90.3	-24.6	0	0	110.6	N9 S10 A16 V17	N9-Q13 WeakPolarHBondContact O-CB 3.45Å; N9-Q13 PolarHBondContact O-N 3.46Å; S10-Q13 WeakPolarHBondContact O-CA 3.43Å; S10-Q13 WeakPolarHBondContact O-CB 3.47Å; S10-Q13 PolarHBondContact O-N 2.91Å; Q13-A16 CarbonylContact O-C 3.58Å; Q13-A16 WeakPolarHBondContact O-CB 3.45Å; Q13-A16 PolarHBondContact O-N 2.77Å; Q13-V17 WeakPolarHBondContact O-CG2 3.3Å; Q13-V17 PolarHBondContact O-N 2.94Å
14	D	53.7	Low	47.9	Very low	91 Å²	91	109.6 Å²	109.6	49%	0.487	59%	0.589	S	S	.	*	H	α-helix	trans	-68.8	-41.3	-177.5	-66.5	-40.2	0	0	0	111.9	S10 A16 V17 L18	S10-D14 PolarHBondContact O-N 3.33Å; D14-A16 VanDerWaalsContact C-N 3.3Å; D14-A16 PolarHBondContact O-N 3.12Å; D14-V17 PolarHBondContact O-N 3.16Å; D14-V17 VanDerWaalsContact O-N 3.17Å; D14-L18 PolarHBondContact O-N 2.7Å
15	L	46.4	Very low	47.1	Very low	106 Å²	106	108.2 Å²	108.2	56%	0.555	60%	0.595	S	S	*	*	H	α-helix	trans	-60.1	-39.4	170.6	-73.5	170	0	0	0	111.6	I11 V17 L18 H19	I11-L15 HydrophobicContact CG2-CD1 3.98Å; I11-L15 WeakPolarHBondContact O-CB 3.28Å; I11-L15 WeakPolarHBondContact O-CD1 3.38Å; I11-L15 VanDerWaalsContact O-CG 3.23Å; I11-L15 WeakPolarHBondContact O-CG 3.41Å; I11-L15 PolarHBondContact O-N 3.06Å; L15-V17 VanDerWaalsContact C-N 3.35Å; L15-L18 PolarHBondContact O-N 3.45Å; L15-H19 WeakPolarHBondContact O-CB 3.49Å; L15-H19 PolarHBondContact O-N 2.8Å
16	A	48	Very low	46.4	Very low	47 Å²	47	111.4 Å²	111.4	39%	0.388	61%	0.614	S	S	.	*	H	α-helix	trans	-70.8	-26.7	176.1	0	0	0	0	0	113.5	M12 Q13 D14 K20	M12-A16 VanDerWaalsContact O-CB 3.28Å; M12-A16 WeakPolarHBondContact O-CB 3.22Å; M12-A16 PolarHBondContact O-N 2.99Å; Q13-A16 CarbonylContact O-C 3.58Å; Q13-A16 WeakPolarHBondContact O-CB 3.45Å; Q13-A16 PolarHBondContact O-N 2.77Å; D14-A16 VanDerWaalsContact C-N 3.3Å; D14-A16 PolarHBondContact O-N 3.12Å; A16-K20 WeakPolarHBondContact O-CG 3.43Å; A16-K20 PolarHBondContact O-N 3.11Å
17	V	49.9	Very low	45.3	Very low	88 Å²	88	110.8 Å²	110.8	53%	0.533	63%	0.625	S	S	.	*	H	α-helix	trans	-73.7	-47.1	171.8	169.9	0	0	0	0	110.7	Q13 D14 L15 H19 K20 A21	Q13-V17 WeakPolarHBondContact O-CG2 3.3Å; Q13-V17 PolarHBondContact O-N 2.94Å; D14-V17 PolarHBondContact O-N 3.16Å; D14-V17 VanDerWaalsContact O-N 3.17Å; L15-V17 VanDerWaalsContact C-N 3.35Å; V17-H19 VanDerWaalsContact C-N 3.26Å; V17-H19 PolarHBondContact O-N 3.29Å; V17-K20 WeakPolarHBondContact O-CB 3.45Å; V17-K20 PolarHBondContact O-N 3.43Å; V17-A21 PolarHBondContact O-N 3.12Å
18	L	43.6	Very low	44	Very low	122 Å²	122	116.4 Å²	116.4	64%	0.639	65%	0.647	S	S	*	*	H	α-helix	trans	-55.5	-41.1	173.3	-81.5	162.7	0	0	0	111.9	D14 L15 K20 A21	D14-L18 PolarHBondContact O-N 2.7Å; L15-L18 PolarHBondContact O-N 3.45Å; L18-K20 VanDerWaalsContact C-N 3.26Å; L18-K20 PolarHBondContact O-N 3.09Å; L18-A21 PolarHBondContact O-N 2.88Å
19	H	43.5	Very low	43	Very low	161 Å²	161	121.3 Å²	121.3	75%	0.745	67%	0.667	S	S	*	*	H	α-helix	trans	-69.1	-19.5	177.5	-131.4	-114.3	0	0	0	114.2	L15 V17	L15-H19 WeakPolarHBondContact O-CB 3.49Å; L15-H19 PolarHBondContact O-N 2.8Å; V17-H19 VanDerWaalsContact C-N 3.26Å; V17-H19 PolarHBondContact O-N 3.29Å
20	K	41.9	Very low	41.9	Very low	165 Å²	165	124.7 Å²	124.7	72%	0.717	68%	0.681	S	S	*	*	H	α-helix	trans	-85.2	-28.9	174.2	-74.7	169.1	-177.1	172.4	0	112.8	A16 V17 L18 S22	A16-K20 WeakPolarHBondContact O-CG 3.43Å; A16-K20 PolarHBondContact O-N 3.11Å; V17-K20 WeakPolarHBondContact O-CB 3.45Å; V17-K20 PolarHBondContact O-N 3.43Å; L18-K20 VanDerWaalsContact C-N 3.26Å; L18-K20 PolarHBondContact O-N 3.09Å; K20-S22 VanDerWaalsContact C-N 3.25Å; K20-S22 PolarHBondContact O-N 3.47Å
21	A	39.4	Very low	40.5	Very low	86 Å²	86	128.7 Å²	128.7	71%	0.711	70%	0.703	S	S	*	*	H	α-helix	trans	-69.1	-17.4	-176.7	0	0	0	0	0	114.5	V17 L18	V17-A21 PolarHBondContact O-N 3.12Å; L18-A21 PolarHBondContact O-N 2.88Å
22	S	38.7	Very low	39.2	Very low	108 Å²	108	134 Å²	134	76%	0.755	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.1	39.5	-170.2	-148.3	0	0	0	0	114.8	K20	K20-S22 VanDerWaalsContact C-N 3.25Å; K20-S22 PolarHBondContact O-N 3.47Å
23	R	37.6	Very low	38.1	Very low	217 Å²	217	139.1 Å²	139.1	82%	0.819	74%	0.736	S	S	*	*			trans	-141.5	124.7	170.9	-69.9	-170.3	178.6	-169	0.9	112.6
24	P	33.7	Very low	37.3	Very low	131 Å²	131	137.6 Å²	137.6	85%	0.851	75%	0.746	S	S	*	*			trans	-70.5	136.1	166.1	30	-32.7	0	0	0	110
25	A	30.2	Very low	36.3	Very low	97 Å²	97	143.4 Å²	143.4	80%	0.802	77%	0.767	S	S	*	*			trans	-80	142.5	179.3	0	0	0	0	0	112
26	L	30.8	Very low	35.5	Very low	176 Å²	176	143.2 Å²	143.2	92%	0.921	78%	0.775	S	S	*	*			trans	-130.2	138.9	159.2	-75.2	175.5	0	0	0	108.1
27	S	29.9	Very low	35	Very low	121 Å²	121	146 Å²	146	85%	0.846	79%	0.791	S	S	*	*			trans	-78.1	146.8	-165.5	41.5	0	0	0	0	113.8
28	L	28.5	Very low	34	Very low	171 Å²	171	147 Å²	147	90%	0.895	80%	0.803	S	S	*	*			trans	-84.4	130.4	162.6	-83.9	157.2	0	0	0	109.4
29	Q	30.3	Very low	34.1	Very low	191 Å²	191	147.1 Å²	147.1	89%	0.893	81%	0.81	S	S	*	*			trans	-129.3	126.3	152.8	-99.9	-174.2	-18.3	0	0	108.1
30	E	30.2	Very low	33.9	Very low	147 Å²	147	149.2 Å²	149.2	69%	0.687	82%	0.817	S	S	*	*			trans	-73.3	138.4	178.8	-71.4	-176.3	91	0	0	111.5	R32	E30-R32 IonicContact OE1-NE 2.71Å; E30-R32 PolarHBondContact OE1-NE 3.26Å; E30-R32 IonicContact OE1-NH2 3.41Å
31	T	30.1	Very low	34.1	Very low	145 Å²	145	150.2 Å²	150.2	89%	0.89	82%	0.822	S	S	*	*			trans	-136.2	121.9	136.7	41.1	0	0	0	0	109.4
32	R	32.4	Very low	34.9	Very low	212 Å²	212	153 Å²	153	80%	0.8	82%	0.82	S	S	*	*			trans	-77.7	130.1	177.9	-61.7	177.9	-176	-177.3	-0.7	110.3	E30	E30-R32 IonicContact OE1-NE 2.71Å; E30-R32 PolarHBondContact OE1-NE 3.26Å; E30-R32 IonicContact OE1-NH2 3.41Å
33	K	28.7	Very low	36.3	Very low	206 Å²	206	153.6 Å²	153.6	90%	0.896	81%	0.814	S	S	*	*			trans	-161.6	114.4	155.1	-111.9	156.1	-172.2	169.4	0	110.7
34	A	36.8	Very low	38.5	Very low	102 Å²	102	146.8 Å²	146.8	84%	0.843	79%	0.794	S	S	*	*			trans	-71.6	137.1	167.5	0	0	0	0	0	109.7
35	K	30.9	Very low	41.2	Very low	212 Å²	212	140.6 Å²	140.6	92%	0.922	75%	0.754	S	S	*	*			trans	-156.9	150.6	162	-116.1	173	-173.7	-172.8	0	111.9
36	S	30.9	Very low	44.1	Very low	102 Å²	102	141.1 Å²	141.1	71%	0.713	74%	0.735	S	S	*	*			trans	-75.2	146.4	-165.4	51.1	0	0	0	0	115.6
37	S	36	Very low	47.1	Very low	106 Å²	106	132.7 Å²	132.7	74%	0.741	69%	0.692	S	S	*	*			trans	40.4	101.9	141.5	63.8	0	0	0	0	119.8
38	S	30.1	Very low	50.2	Low	110 Å²	110	131.1 Å²	131.1	77%	0.769	67%	0.67	S	S	*	*				178.8	144.6	128.9	38.3	0	0	0	0	111.5	K40	S38-K40 PolarHBondContact O-N 2.89Å
39	P	44.5	Very low	53.3	Low	123 Å²	123	123 Å²	123	80%	0.799	63%	0.627	S	S	*	*			trans	-80.6	113.1	-178.9	31	-33.1	0	0	0	111.7	K41	P39-K41 PolarHBondContact O-N 2.81Å; P39-K41 VanDerWaalsContact O-N 3.07Å
40	K	40.2	Very low	56.3	Low	206 Å²	206	117 Å²	117	90%	0.896	60%	0.599	S	S	*	*			trans	-71.3	99.3	168.5	-73.3	-174	176.9	-178.1	0	110	S38 Q42	S38-K40 PolarHBondContact O-N 2.89Å; K40-Q42 PolarHBondContact O-N 2.81Å
41	K	45.9	Very low	59.1	Low	186 Å²	186	111.1 Å²	111.1	81%	0.809	57%	0.571	S	S	*	*			trans	-58.2	121.6	165.2	-73.6	-175.5	175.9	-178.6	0	109	P39 N43	P39-K41 PolarHBondContact O-N 2.81Å; P39-K41 VanDerWaalsContact O-N 3.07Å; K41-N43 PolarHBondContact O-N 3.29Å
42	Q	56.4	Low	61.6	Low	145 Å²	145	114.5 Å²	114.5	68%	0.678	57%	0.568	S	S	*	*			trans	-84.1	107.3	168	-168	156.6	16.2	0	0	107.4	K40 D44 R62	K40-Q42 PolarHBondContact O-N 2.81Å; Q42-D44 PolarHBondContact O-N 3.01Å; Q42-R62 PolarHBondContact O-NE 3.21Å
43	N	68.6	Low	63.7	Low	119 Å²	119	106.9 Å²	106.9	64%	0.636	56%	0.555	S	S	*	*			trans	-60.7	-31.2	-167.4	-81.8	-1.6	0	0	0	113.9	K41 R62	K41-N43 PolarHBondContact O-N 3.29Å; N43-R62 WeakPolarHBondContact O-CG 3.29Å; N43-R62 PolarHBondContact O-N 3.1Å
44	D	83	Confident	66.4	Low	74 Å²	74	101.1 Å²	101.1	40%	0.396	53%	0.532	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	129.1	-177.5	-57.6	-58	0	0	0	112.5	Q42 Q59 F60 P61	Q42-D44 PolarHBondContact O-N 3.01Å; D44-Q59 HydrophobicContact CB-CB 4.41Å; D44-F60 CarbonylContact C-O 3.58Å; D44-F60 VanDerWaalsContact CA-O 3.29Å; D44-F60 WeakPolarHBondContact CA-O 2.96Å; D44-P61 WeakPolarHBondContact OD1-CA 3.28Å
45	V	90	Very high	69	Low	2 Å²	2	102.6 Å²	102.6	1%	0.012	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	125.3	167.1	175.9	0	0	0	0	108.9	V47 F60 R62 V64 V104 L107 L116	V45-V47 HydrophobicContact CG1-CG2 4.05Å; V45-F60 PolarHBondContact N-O 3.33Å; V45-F60 PolarHBondContact O-N 2.99Å; V45-R62 HydrophobicContact CG2-CG 3.85Å; V45-V64 HydrophobicContact CB-CG2 3.72Å; V45-V64 HydrophobicContact CG1-CG2 4.3Å; V45-V64 HydrophobicContact CG2-CG2 3.61Å; V45-V104 HydrophobicContact CG2-CG1 4.14Å; V45-L107 HydrophobicContact CG1-CD2 3.85Å; V45-L116 HydrophobicContact CG1-CB 4.48Å
46	R	92.2	Very high	71.9	Confident	107 Å²	107	97.2 Å²	97.2	40%	0.404	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.4	172.7	-168.8	177.8	-58.7	-144.9	-0.6	109.4	I57 S115 L116	R46-I57 HydrophobicContact CG-CG2 3.57Å; R46-S115 CarbonylContact O-C 3.47Å; R46-S115 WeakPolarHBondContact O-CA 3.3Å; R46-S115 VanDerWaalsContact O-CB 3.26Å; R46-S115 WeakPolarHBondContact O-CB 3.32Å; R46-L116 PolarHBondContact O-N 3.01Å
47	V	93.9	Very high	74.8	Confident	0 Å²	0	96.9 Å²	96.9	0%	0	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	126.3	179.2	-178.2	0	0	0	0	109.2	V45 F49 I57 L58 F60 L69 L116 I118	V45-V47 HydrophobicContact CG1-CG2 4.05Å; V47-F49 HydrophobicContact CB-CE2 4.28Å; V47-F49 HydrophobicContact CG1-CD2 4.16Å; V47-F49 HydrophobicContact CG1-CE1 4.21Å; V47-F49 HydrophobicContact CG1-CE2 3.75Å; V47-F49 HydrophobicContact CG1-CZ 3.8Å; V47-I57 WeakPolarHBondContact O-CA 3.29Å; V47-L58 PolarHBondContact N-O 2.79Å; V47-L58 PolarHBondContact O-N 3.05Å; V47-F60 HydrophobicContact CB-CD2 3.99Å; V47-F60 HydrophobicContact CB-CE2 3.82Å; V47-F60 HydrophobicContact CG1-CE2 4.45Å; V47-F60 HydrophobicContact CG2-CD2 3.52Å; V47-F60 HydrophobicContact CG2-CE2 3.76Å; V47-F60 HydrophobicContact CG2-CG 4.44Å; V47-L69 HydrophobicContact CG2-CD1 4.41Å; V47-L116 HydrophobicContact CG2-CB 4.23Å; V47-L116 HydrophobicContact CG2-CD2 4.27Å; V47-I118 HydrophobicContact CG1-CB 4.5Å; V47-I118 HydrophobicContact CG1-CD1 3.93Å; V47-I118 HydrophobicContact CG1-CG1 4.35Å
48	K	94.4	Very high	77.5	Confident	88 Å²	88	94.3 Å²	94.3	38%	0.383	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	111.2	172.2	-62.7	-173.6	175.3	-178.9	0	109	R56 I57 S115 L116 K117 I118	K48-R56 CarbonylContact C-O 3.43Å; K48-R56 WeakPolarHBondContact CA-O 2.97Å; K48-I57 HydrophobicContact CD-CD1 4.38Å; K48-I57 HydrophobicContact CG-CD1 4.2Å; K48-I57 HydrophobicContact CG-CG1 4.06Å; K48-I57 HydrophobicContact CG-CG2 4.24Å; K48-S115 WeakPolarHBondContact CD-OG 3.49Å; K48-S115 WeakPolarHBondContact CE-OG 3.49Å; K48-L116 PolarHBondContact N-O 2.74Å; K48-K117 CarbonylContact O-C 3.59Å; K48-K117 WeakPolarHBondContact O-CA 3.36Å; K48-I118 PolarHBondContact O-N 2.9Å
49	F	94.1	Very high	80.4	Confident	1 Å²	1	94.3 Å²	94.3	0%	0.004	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	141	170.2	-66.3	-79.9	0	0	0	110.7	V47 K55 R56 L58 F60 L69 A73 F77 L83 I118 L120	V47-F49 HydrophobicContact CB-CE2 4.28Å; V47-F49 HydrophobicContact CG1-CD2 4.16Å; V47-F49 HydrophobicContact CG1-CE1 4.21Å; V47-F49 HydrophobicContact CG1-CE2 3.75Å; V47-F49 HydrophobicContact CG1-CZ 3.8Å; F49-K55 WeakPolarHBondContact O-CA 3.35Å; F49-R56 PolarHBondContact N-O 3.43Å; F49-R56 PolarHBondContact O-N 3.02Å; F49-L58 HydrophobicContact CD2-CD1 4.11Å; F49-L58 HydrophobicContact CD2-CG 4.27Å; F49-L58 HydrophobicContact CE2-CB 4.2Å; F49-L58 HydrophobicContact CE2-CD1 3.75Å; F49-L58 HydrophobicContact CE2-CG 4.17Å; F49-F60 HydrophobicContact CE2-CE2 4.02Å; F49-F60 HydrophobicContact CE2-CZ 4.16Å; F49-F60 HydrophobicContact CZ-CE2 4.27Å; F49-F60 HydrophobicContact CZ-CZ 4.1Å; F49-L69 HydrophobicContact CE1-CD2 3.42Å; F49-L69 VanDerWaalsContact CE1-CD2 3.42Å; F49-L69 HydrophobicContact CZ-CD2 3.39Å; F49-L69 HydrophobicContact CZ-CG 4.06Å; F49-A73 HydrophobicContact CD1-CB 4.27Å; F49-A73 HydrophobicContact CE1-CB 3.76Å; F49-A73 HydrophobicContact CZ-CB 4.15Å; F49-F77 HydrophobicContact CB-CE2 3.54Å; F49-F77 HydrophobicContact CB-CZ 3.83Å; F49-F77 HydrophobicContact CG-CE2 4.15Å; F49-L83 HydrophobicContact CE1-CD2 4.2Å; F49-I118 CarbonylContact C-O 3.55Å; F49-I118 VanDerWaalsContact CA-O 3.29Å; F49-I118 WeakPolarHBondContact CA-O 3.35Å; F49-I118 HydrophobicContact CD1-CB 4.2Å; F49-I118 HydrophobicContact CD1-CG2 4.02Å; F49-I118 HydrophobicContact CE1-CB 4.38Å; F49-I118 HydrophobicContact CE1-CG2 4.11Å; F49-L120 HydrophobicContact CB-CD1 4.2Å; F49-L120 HydrophobicContact CD1-CD1 3.89Å; F49-L120 HydrophobicContact CD1-CD2 3.86Å; F49-L120 HydrophobicContact CD1-CG 3.99Å; F49-L120 HydrophobicContact CE1-CD2 4.23Å; F49-L120 HydrophobicContact CG-CD1 4.38Å
50	E	92.2	Very high	82.7	Confident	65 Å²	65	88.5 Å²	88.5	30%	0.304	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	128	176.4	-176.4	158.1	172.2	0	0	110.6	E54 K55 I118 L119 L120	E50-E54 CarbonylContact C-O 3.56Å; E50-E54 WeakPolarHBondContact CA-O 3.37Å; E50-K55 HydrophobicContact CB-CG 4.34Å; E50-K55 HydrophobicContact CG-CG 4.02Å; E50-K55 WeakPolarHBondContact OE1-CE 3.43Å; E50-K55 IonicContact OE1-NZ 3.45Å; E50-K55 PolarHBondContact OE1-NZ 3Å; E50-K55 WeakPolarHBondContact OE2-CE 3.28Å; E50-K55 IonicContact OE2-NZ 2.69Å; E50-K55 PolarHBondContact OE2-NZ 2.93Å; E50-I118 PolarHBondContact N-O 3.15Å; E50-L119 HydrophobicContact CB-CD1 4.4Å; E50-L119 HydrophobicContact CG-CD1 4.28Å; E50-L119 CarbonylContact O-C 3.56Å; E50-L119 WeakPolarHBondContact O-CA 3.45Å; E50-L120 PolarHBondContact O-N 2.97Å
51	H	89.4	Confident	85	Confident	22 Å²	22	82.4 Å²	82.4	10%	0.102	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	122.6	174.3	-174.3	59.9	0	0	0	111.1	G53 E54 F77 M81 L120	H51-G53 PolarHBondContact O-N 2.68Å; H51-E54 PolarHBondContact N-O 2.79Å; H51-E54 WeakPolarHBondContact O-CB 3.49Å; H51-E54 PolarHBondContact O-N 2.82Å; H51-F77 HydrophobicContact CB-CD1 4.2Å; H51-F77 HydrophobicContact CB-CE1 4.1Å; H51-M81 WeakPolarHBondContact CE1-CE 3.08Å; H51-M81 VanDerWaalsContact ND1-CE 3.28Å; H51-M81 WeakPolarHBondContact ND1-CE 3.03Å; H51-L120 HydrophobicContact CB-CB 4.2Å; H51-L120 PolarHBondContact ND1-O 3.2Å
52	R	82.8	Confident	86.8	Confident	216 Å²	216	78.1 Å²	78.1	82%	0.815	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.6	32.2	178.6	-68.3	177.6	176.8	-172.3	-0.6	114.3
53	G	77.2	Confident	88.2	Confident	52 Å²	52	76.2 Å²	76.2	54%	0.536	37%	0.37	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.1	-20.2	-177	0	0	0	0	0	115.3	H51	H51-G53 PolarHBondContact O-N 2.68Å
54	E	85.8	Confident	89.3	Confident	86 Å²	86	70.8 Å²	70.8	40%	0.402	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	135.4	171.9	-165.2	-168.2	166.5	0	0	110.4	E50 H51 R56 F77	E50-E54 CarbonylContact C-O 3.56Å; E50-E54 WeakPolarHBondContact CA-O 3.37Å; H51-E54 PolarHBondContact N-O 2.79Å; H51-E54 WeakPolarHBondContact O-CB 3.49Å; H51-E54 PolarHBondContact O-N 2.82Å; E54-R56 IonicContact OE1-CZ 3.25Å; E54-R56 IonicContact OE1-NE 3.81Å; E54-R56 PolarHBondContact OE1-NE 3.27Å; E54-R56 IonicContact OE1-NH2 2.7Å; E54-R56 PolarHBondContact OE1-NH2 2.77Å; E54-R56 IonicContact OE2-NH2 2.68Å; E54-F77 HydrophobicContact CB-CE1 4.37Å; E54-F77 HydrophobicContact CG-CE1 4.25Å
55	K	91.3	Very high	89.7	Confident	133 Å²	133	72.7 Å²	72.7	58%	0.578	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.1	-175	-64.5	176.2	-161	-131.9	0	111.2	F49 E50	F49-K55 WeakPolarHBondContact O-CA 3.35Å; E50-K55 HydrophobicContact CB-CG 4.34Å; E50-K55 HydrophobicContact CG-CG 4.02Å; E50-K55 WeakPolarHBondContact OE1-CE 3.43Å; E50-K55 IonicContact OE1-NZ 3.45Å; E50-K55 PolarHBondContact OE1-NZ 3Å; E50-K55 WeakPolarHBondContact OE2-CE 3.28Å; E50-K55 IonicContact OE2-NZ 2.69Å; E50-K55 PolarHBondContact OE2-NZ 2.93Å
56	R	90.9	Very high	89.8	Confident	98 Å²	98	73 Å²	73	37%	0.37	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	143.1	178.1	-63.4	-169.9	-175.9	-172.3	20.1	111	K48 F49 E54 A76 F77	K48-R56 CarbonylContact C-O 3.43Å; K48-R56 WeakPolarHBondContact CA-O 2.97Å; F49-R56 PolarHBondContact N-O 3.43Å; F49-R56 PolarHBondContact O-N 3.02Å; E54-R56 IonicContact OE1-CZ 3.25Å; E54-R56 IonicContact OE1-NE 3.81Å; E54-R56 PolarHBondContact OE1-NE 3.27Å; E54-R56 IonicContact OE1-NH2 2.7Å; E54-R56 PolarHBondContact OE1-NH2 2.77Å; E54-R56 IonicContact OE2-NH2 2.68Å; R56-A76 PolarHBondContact NH1-O 2.96Å; R56-A76 PolarHBondContact NH2-O 2.71Å; R56-F77 HydrophobicContact CB-CE2 4.29Å; R56-F77 HydrophobicContact CB-CZ 3.92Å; R56-F77 HydrophobicContact CG-CE1 4.26Å; R56-F77 HydrophobicContact CG-CE2 4.39Å; R56-F77 HydrophobicContact CG-CZ 3.75Å
57	I	92.6	Very high	89.8	Confident	96 Å²	96	74.6 Å²	74.6	49%	0.492	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	117.7	-177.3	-46.9	-173.1	0	0	0	109.1	R46 V47 K48	R46-I57 HydrophobicContact CG-CG2 3.57Å; V47-I57 WeakPolarHBondContact O-CA 3.29Å; K48-I57 HydrophobicContact CD-CD1 4.38Å; K48-I57 HydrophobicContact CG-CD1 4.2Å; K48-I57 HydrophobicContact CG-CG1 4.06Å; K48-I57 HydrophobicContact CG-CG2 4.24Å
58	L	91.9	Very high	89.7	Confident	52 Å²	52	78.2 Å²	78.2	27%	0.272	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	159.4	177.8	-59.3	-179.1	0	0	0	110.2	V47 F49 F60 K72	V47-L58 PolarHBondContact N-O 2.79Å; V47-L58 PolarHBondContact O-N 3.05Å; F49-L58 HydrophobicContact CD2-CD1 4.11Å; F49-L58 HydrophobicContact CD2-CG 4.27Å; F49-L58 HydrophobicContact CE2-CB 4.2Å; F49-L58 HydrophobicContact CE2-CD1 3.75Å; F49-L58 HydrophobicContact CE2-CG 4.17Å; L58-F60 HydrophobicContact CB-CE2 3.83Å; L58-K72 HydrophobicContact CD1-CB 3.92Å
59	Q	91.4	Very high	89.6	Confident	109 Å²	109	74 Å²	74	51%	0.509	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	143.1	176.5	-63.5	-175.6	68.2	0	0	109.8	D44 K72	D44-Q59 HydrophobicContact CB-CB 4.41Å; Q59-K72 PolarHBondContact O-NZ 3.37Å; Q59-K72 VanDerWaalsContact O-NZ 3.14Å
60	F	92.5	Very high	89.5	Confident	2 Å²	2	79 Å²	79	1%	0.009	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	128.3	-176.6	-69	-100.4	0	0	0	109.4	D44 V45 V47 F49 L58 V64 D68 L69 K72	D44-F60 CarbonylContact C-O 3.58Å; D44-F60 VanDerWaalsContact CA-O 3.29Å; D44-F60 WeakPolarHBondContact CA-O 2.96Å; V45-F60 PolarHBondContact N-O 3.33Å; V45-F60 PolarHBondContact O-N 2.99Å; V47-F60 HydrophobicContact CB-CD2 3.99Å; V47-F60 HydrophobicContact CB-CE2 3.82Å; V47-F60 HydrophobicContact CG1-CE2 4.45Å; V47-F60 HydrophobicContact CG2-CD2 3.52Å; V47-F60 HydrophobicContact CG2-CE2 3.76Å; V47-F60 HydrophobicContact CG2-CG 4.44Å; F49-F60 HydrophobicContact CE2-CE2 4.02Å; F49-F60 HydrophobicContact CE2-CZ 4.16Å; F49-F60 HydrophobicContact CZ-CE2 4.27Å; F49-F60 HydrophobicContact CZ-CZ 4.1Å; L58-F60 HydrophobicContact CB-CE2 3.83Å; F60-V64 HydrophobicContact CB-CG1 3.9Å; F60-V64 HydrophobicContact CB-CG2 4.08Å; F60-V64 HydrophobicContact CD1-CG1 4.11Å; F60-V64 HydrophobicContact CG-CG1 4.08Å; F60-D68 HydrophobicContact CD1-CB 4.48Å; F60-D68 HydrophobicContact CE1-CB 4.37Å; F60-L69 HydrophobicContact CE1-CB 4.13Å; F60-L69 HydrophobicContact CE1-CG 4.11Å; F60-L69 HydrophobicContact CE2-CG 4.44Å; F60-L69 HydrophobicContact CZ-CB 4.35Å; F60-L69 HydrophobicContact CZ-CG 3.9Å; F60-K72 HydrophobicContact CD1-CD 4.25Å; F60-K72 HydrophobicContact CE1-CB 4.18Å; F60-K72 HydrophobicContact CE1-CD 3.56Å; F60-K72 HydrophobicContact CE1-CG 4.11Å; F60-K72 HydrophobicContact CE2-CD 4.49Å; F60-K72 HydrophobicContact CZ-CB 3.92Å; F60-K72 HydrophobicContact CZ-CD 3.71Å; F60-K72 HydrophobicContact CZ-CG 4.27Å
61	P	88.5	Confident	89.4	Confident	77 Å²	77	78.9 Å²	78.9	50%	0.5	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	157	171.6	30.7	-35.7	0	0	0	110.1	D44 P63	D44-P61 WeakPolarHBondContact OD1-CA 3.28Å; P61-P63 CarbonylContact O-C 3.49Å
62	R	84.6	Confident	89.5	Confident	97 Å²	97	81.2 Å²	81.2	37%	0.366	40%	0.395	S	S	.	.	S	Bend	trans	-86.6	143.4	171.9	-68.1	168.2	-175.7	-93.7	5.2	111.2	Q42 N43 V45 D108	Q42-R62 PolarHBondContact O-NE 3.21Å; N43-R62 WeakPolarHBondContact O-CG 3.29Å; N43-R62 PolarHBondContact O-N 3.1Å; V45-R62 HydrophobicContact CG2-CG 3.85Å; R62-D108 IonicContact CZ-OD1 2.64Å; R62-D108 IonicContact CZ-OD2 3.48Å; R62-D108 IonicContact NH1-OD1 3.73Å; R62-D108 PolarHBondContact NH1-OD1 2.99Å; R62-D108 IonicContact NH1-OD2 3.83Å; R62-D108 PolarHBondContact NH1-OD2 3.49Å; R62-D108 IonicContact NH2-OD1 2.73Å; R62-D108 PolarHBondContact NH2-OD1 2.98Å; R62-D108 IonicContact NH2-OD2 3.84Å
63	P	85.9	Confident	89.9	Confident	104 Å²	104	71 Å²	71	68%	0.675	36%	0.357	S	S	*	.	S	Bend	cis	-72.8	147.3	-7.1	31.8	-35.4	0	0	0	111.9	P61 K65	P61-P63 CarbonylContact O-C 3.49Å; P63-K65 PolarHBondContact O-N 2.95Å
64	V	90.2	Very high	90.6	Very high	5 Å²	5	74.3 Å²	74.3	3%	0.03	36%	0.357	C	S	.	.			trans	-88.7	108.9	-176.4	-172.6	0	0	0	0	109.5	V45 F60 L69 Q97 L100 V104	V45-V64 HydrophobicContact CB-CG2 3.72Å; V45-V64 HydrophobicContact CG1-CG2 4.3Å; V45-V64 HydrophobicContact CG2-CG2 3.61Å; F60-V64 HydrophobicContact CB-CG1 3.9Å; F60-V64 HydrophobicContact CB-CG2 4.08Å; F60-V64 HydrophobicContact CD1-CG1 4.11Å; F60-V64 HydrophobicContact CG-CG1 4.08Å; V64-L69 HydrophobicContact CG1-CD1 3.84Å; V64-Q97 PolarHBondContact O-NE2 3.29Å; V64-L100 HydrophobicContact CG1-CD2 4.28Å; V64-L100 VanDerWaalsContact O-CD2 3.26Å; V64-L100 WeakPolarHBondContact O-CD2 3.32Å; V64-V104 HydrophobicContact CG2-CG2 4.43Å
65	K	93	Very high	90.7	Very high	114 Å²	114	77 Å²	77	50%	0.496	37%	0.373	S	S	.	.			trans	-80.3	140.8	178	-58.2	-177	177.9	-176.5	0	112.1	P63 E67 D68 L69	P63-K65 PolarHBondContact O-N 2.95Å; K65-E67 VanDerWaalsContact C-N 3.27Å; K65-E67 PolarHBondContact O-N 3.38Å; K65-D68 HydrophobicContact CB-CB 4.31Å; K65-D68 WeakPolarHBondContact CB-OD2 3.36Å; K65-D68 PolarHBondContact O-N 3.27Å; K65-L69 WeakPolarHBondContact O-CB 3.43Å; K65-L69 PolarHBondContact O-N 3.15Å
66	L	91.7	Very high	90.6	Very high	8 Å²	8	71.6 Å²	71.6	4%	0.042	35%	0.353	C	S	.	.	H	α-helix	trans	-64.6	-31.4	176.4	-175.6	60.1	0	0	0	112.6	L69 R70 L94 T96 L100	L66-L69 PolarHBondContact O-N 3.4Å; L66-R70 WeakPolarHBondContact O-CB 3.31Å; L66-R70 WeakPolarHBondContact O-CG 3.47Å; L66-R70 PolarHBondContact O-N 3.24Å; L66-L94 HydrophobicContact CD1-CB 4.12Å; L66-T96 VanDerWaalsContact CD2-C 3.49Å; L66-T96 WeakPolarHBondContact CD2-O 3.2Å; L66-L100 HydrophobicContact CB-CD2 3.87Å; L66-L100 HydrophobicContact CD1-CD2 4.16Å
67	E	91.1	Very high	90.5	Very high	141 Å²	141	68.1 Å²	68.1	66%	0.659	34%	0.34	S	S	*	.	H	α-helix	trans	-68.5	-42.4	175.6	-63.1	-177.6	151.4	0	0	112.4	K65 L69 R70 S71	K65-E67 VanDerWaalsContact C-N 3.27Å; K65-E67 PolarHBondContact O-N 3.38Å; E67-L69 VanDerWaalsContact C-N 3.26Å; E67-L69 PolarHBondContact O-N 2.96Å; E67-R70 PolarHBondContact O-N 3.12Å; E67-S71 VanDerWaalsContact O-CB 3.24Å; E67-S71 WeakPolarHBondContact O-CB 3.36Å; E67-S71 PolarHBondContact O-N 3.23Å; E67-S71 PolarHBondContact O-OG 3.01Å
68	D	91.5	Very high	90.1	Very high	76 Å²	76	66.8 Å²	66.8	41%	0.406	35%	0.35	S	S	.	.	H	α-helix	trans	-62.6	-38.9	172.9	-67.6	-35.3	0	0	0	110.6	F60 K65 S71 K72	F60-D68 HydrophobicContact CD1-CB 4.48Å; F60-D68 HydrophobicContact CE1-CB 4.37Å; K65-D68 HydrophobicContact CB-CB 4.31Å; K65-D68 WeakPolarHBondContact CB-OD2 3.36Å; K65-D68 PolarHBondContact O-N 3.27Å; D68-S71 PolarHBondContact O-N 3.45Å; D68-K72 WeakPolarHBondContact O-CB 3.3Å; D68-K72 WeakPolarHBondContact O-CG 3.41Å; D68-K72 PolarHBondContact O-N 3.03Å
69	L	92.6	Very high	89.9	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-70.1	-43.9	-178.7	-147.7	159.3	0	0	0	111.1	V47 F49 F60 V64 K65 L66 E67 A73 L83 L100 I118	V47-L69 HydrophobicContact CG2-CD1 4.41Å; F49-L69 HydrophobicContact CE1-CD2 3.42Å; F49-L69 VanDerWaalsContact CE1-CD2 3.42Å; F49-L69 HydrophobicContact CZ-CD2 3.39Å; F49-L69 HydrophobicContact CZ-CG 4.06Å; F60-L69 HydrophobicContact CE1-CB 4.13Å; F60-L69 HydrophobicContact CE1-CG 4.11Å; F60-L69 HydrophobicContact CE2-CG 4.44Å; F60-L69 HydrophobicContact CZ-CB 4.35Å; F60-L69 HydrophobicContact CZ-CG 3.9Å; V64-L69 HydrophobicContact CG1-CD1 3.84Å; K65-L69 WeakPolarHBondContact O-CB 3.43Å; K65-L69 PolarHBondContact O-N 3.15Å; L66-L69 PolarHBondContact O-N 3.4Å; E67-L69 VanDerWaalsContact C-N 3.26Å; E67-L69 PolarHBondContact O-N 2.96Å; L69-A73 VanDerWaalsContact O-CB 3.25Å; L69-A73 WeakPolarHBondContact O-CB 3.46Å; L69-A73 PolarHBondContact O-N 3.28Å; L69-L83 HydrophobicContact CD2-CD2 3.24Å; L69-L100 HydrophobicContact CD1-CD1 3.72Å; L69-L100 HydrophobicContact CD1-CD2 3.93Å; L69-I118 HydrophobicContact CD1-CD1 3.84Å; L69-I118 HydrophobicContact CD2-CD1 3.51Å; L69-I118 HydrophobicContact CG-CD1 4.35Å
70	R	92.3	Very high	89.6	Confident	106 Å²	106	66.3 Å²	66.3	40%	0.4	36%	0.355	S	S	.	.	H	α-helix	trans	-57.4	-48.1	168	-80.5	169.4	-179	169.3	8.2	111.7	L66 E67 A73 K74 L83 L94 T95	L66-R70 WeakPolarHBondContact O-CB 3.31Å; L66-R70 WeakPolarHBondContact O-CG 3.47Å; L66-R70 PolarHBondContact O-N 3.24Å; E67-R70 PolarHBondContact O-N 3.12Å; R70-A73 PolarHBondContact O-N 3.33Å; R70-K74 WeakPolarHBondContact O-CB 3.43Å; R70-K74 PolarHBondContact O-N 3.18Å; R70-L83 HydrophobicContact CB-CD1 4.42Å; R70-L83 HydrophobicContact CG-CD1 3.35Å; R70-L83 HydrophobicContact CG-CD2 4.39Å; R70-L94 PolarHBondContact NH2-O 2.88Å; R70-L94 VanDerWaalsContact NH2-O 3.11Å; R70-T95 PolarHBondContact NH2-O 3.42Å
71	S	91.4	Very high	89.3	Confident	62 Å²	62	66.7 Å²	66.7	43%	0.434	36%	0.357	S	S	.	.	H	α-helix	trans	-66.4	-46.7	-176.3	-60.5	0	0	0	0	112.4	E67 D68 K74 I75	E67-S71 VanDerWaalsContact O-CB 3.24Å; E67-S71 WeakPolarHBondContact O-CB 3.36Å; E67-S71 PolarHBondContact O-N 3.23Å; E67-S71 PolarHBondContact O-OG 3.01Å; D68-S71 PolarHBondContact O-N 3.45Å; S71-K74 PolarHBondContact O-N 2.78Å; S71-I75 VanDerWaalsContact O-CG1 3.32Å; S71-I75 WeakPolarHBondContact O-CG1 3.36Å; S71-I75 PolarHBondContact O-N 2.73Å
72	K	91.6	Very high	89.5	Confident	72 Å²	72	66.2 Å²	66.2	31%	0.313	35%	0.351	S	S	.	.	H	α-helix	trans	-68.6	-32.9	175.9	-68.2	-167.6	-158.9	165.9	0	112.5	L58 Q59 F60 D68 A76	L58-K72 HydrophobicContact CD1-CB 3.92Å; Q59-K72 PolarHBondContact O-NZ 3.37Å; Q59-K72 VanDerWaalsContact O-NZ 3.14Å; F60-K72 HydrophobicContact CD1-CD 4.25Å; F60-K72 HydrophobicContact CE1-CB 4.18Å; F60-K72 HydrophobicContact CE1-CD 3.56Å; F60-K72 HydrophobicContact CE1-CG 4.11Å; F60-K72 HydrophobicContact CE2-CD 4.49Å; F60-K72 HydrophobicContact CZ-CB 3.92Å; F60-K72 HydrophobicContact CZ-CD 3.71Å; F60-K72 HydrophobicContact CZ-CG 4.27Å; D68-K72 WeakPolarHBondContact O-CB 3.3Å; D68-K72 WeakPolarHBondContact O-CG 3.41Å; D68-K72 PolarHBondContact O-N 3.03Å; K72-A76 VanDerWaalsContact O-CB 3.28Å; K72-A76 WeakPolarHBondContact O-CB 3.19Å; K72-A76 PolarHBondContact O-N 3.43Å
73	A	90.4	Very high	89.9	Confident	2 Å²	2	61.9 Å²	61.9	2%	0.017	34%	0.335	C	S	.	.	H	α-helix	trans	-62.9	-46.2	171.6	0	0	0	0	0	111.3	F49 L69 R70 I75 A76 F77 L83 L120	F49-A73 HydrophobicContact CD1-CB 4.27Å; F49-A73 HydrophobicContact CE1-CB 3.76Å; F49-A73 HydrophobicContact CZ-CB 4.15Å; L69-A73 VanDerWaalsContact O-CB 3.25Å; L69-A73 WeakPolarHBondContact O-CB 3.46Å; L69-A73 PolarHBondContact O-N 3.28Å; R70-A73 PolarHBondContact O-N 3.33Å; A73-I75 PolarHBondContact O-N 3.09Å; A73-A76 PolarHBondContact O-N 2.65Å; A73-F77 PolarHBondContact O-N 2.83Å; A73-L83 HydrophobicContact CB-CD2 4.32Å; A73-L120 HydrophobicContact CB-CD1 4.23Å; A73-L120 HydrophobicContact CB-CD2 4.19Å
74	K	90.7	Very high	90.2	Very high	121 Å²	121	58.7 Å²	58.7	53%	0.526	31%	0.311	S	S	.	.	H	α-helix	trans	-61.6	-42.1	176.1	-179.5	176.3	178.4	-178.4	0	112.9	R70 S71 A76 G78 Q79	R70-K74 WeakPolarHBondContact O-CB 3.43Å; R70-K74 PolarHBondContact O-N 3.18Å; S71-K74 PolarHBondContact O-N 2.78Å; K74-A76 VanDerWaalsContact C-N 3.34Å; K74-G78 CarbonylContact O-C 3.48Å; K74-G78 VanDerWaalsContact O-CA 3.31Å; K74-G78 WeakPolarHBondContact O-CA 3.38Å; K74-G78 PolarHBondContact O-N 3.48Å; K74-Q79 WeakPolarHBondContact CA-O 3.39Å
75	I	89.7	Confident	90.3	Very high	143 Å²	143	59.1 Å²	59.1	73%	0.733	31%	0.312	S	S	*	.	H	α-helix	trans	-65.5	-38.5	175.6	-68.2	164.2	0	0	0	111.1	S71 A73	S71-I75 VanDerWaalsContact O-CG1 3.32Å; S71-I75 WeakPolarHBondContact O-CG1 3.36Å; S71-I75 PolarHBondContact O-N 2.73Å; A73-I75 PolarHBondContact O-N 3.09Å
76	A	88.3	Confident	90	Very high	19 Å²	19	54.6 Å²	54.6	16%	0.157	29%	0.294	C	S	.	.	H	α-helix	trans	-70.4	-51.1	179.5	0	0	0	0	0	112.6	R56 K72 A73 K74	R56-A76 PolarHBondContact NH1-O 2.96Å; R56-A76 PolarHBondContact NH2-O 2.71Å; K72-A76 VanDerWaalsContact O-CB 3.28Å; K72-A76 WeakPolarHBondContact O-CB 3.19Å; K72-A76 PolarHBondContact O-N 3.43Å; A73-A76 PolarHBondContact O-N 2.65Å; K74-A76 VanDerWaalsContact C-N 3.34Å
77	F	87.9	Confident	89.3	Confident	25 Å²	25	56.6 Å²	56.6	11%	0.11	31%	0.305	C	S	.	.	H	α-helix	trans	-100.3	7.3	-171.6	-63.8	-88.8	0	0	0	114	F49 H51 E54 R56 A73 Q79 M81 L120	F49-F77 HydrophobicContact CB-CE2 3.54Å; F49-F77 HydrophobicContact CB-CZ 3.83Å; F49-F77 HydrophobicContact CG-CE2 4.15Å; H51-F77 HydrophobicContact CB-CD1 4.2Å; H51-F77 HydrophobicContact CB-CE1 4.1Å; E54-F77 HydrophobicContact CB-CE1 4.37Å; E54-F77 HydrophobicContact CG-CE1 4.25Å; R56-F77 HydrophobicContact CB-CE2 4.29Å; R56-F77 HydrophobicContact CB-CZ 3.92Å; R56-F77 HydrophobicContact CG-CE1 4.26Å; R56-F77 HydrophobicContact CG-CE2 4.39Å; R56-F77 HydrophobicContact CG-CZ 3.75Å; A73-F77 PolarHBondContact O-N 2.83Å; F77-Q79 PolarHBondContact O-N 3.22Å; F77-Q79 VanDerWaalsContact O-N 3.11Å; F77-M81 HydrophobicContact CB-SD 3.92Å; F77-M81 HydrophobicContact CG-SD 4.48Å; F77-L120 HydrophobicContact CD2-CD1 3.36Å; F77-L120 HydrophobicContact CE2-CD1 3.51Å; F77-L120 HydrophobicContact CG-CD1 3.98Å; F77-L120 HydrophobicContact CZ-CD1 4.21Å
78	G	84.8	Confident	88.1	Confident	68 Å²	68	56.3 Å²	56.3	70%	0.701	31%	0.307	S	S	*	.	S	Bend	trans	75.7	-11.1	172	0	0	0	0	0	116.4	K74	K74-G78 CarbonylContact O-C 3.48Å; K74-G78 VanDerWaalsContact O-CA 3.31Å; K74-G78 WeakPolarHBondContact O-CA 3.38Å; K74-G78 PolarHBondContact O-N 3.48Å
79	Q	87.5	Confident	86.6	Confident	71 Å²	71	58.4 Å²	58.4	33%	0.332	32%	0.315	S	S	.	.	S	Bend	trans	-136.6	161.9	-172.3	65	-173.9	-14.1	0	0	112	K74 F77 M81	K74-Q79 WeakPolarHBondContact CA-O 3.39Å; F77-Q79 PolarHBondContact O-N 3.22Å; F77-Q79 VanDerWaalsContact O-N 3.11Å; Q79-M81 HydrophobicContact CG-CE 4.46Å; Q79-M81 HydrophobicContact CG-CG 3.74Å; Q79-M81 HydrophobicContact CG-SD 3.86Å
80	S	85.8	Confident	85.5	Confident	80 Å²	80	62.4 Å²	62.4	56%	0.559	34%	0.336	S	S	*	.			trans	-74.9	138.8	170.8	-161.6	0	0	0	0	110.1	N123	S80-N123 PolarHBondContact O-OD1 2.94Å
81	M	86.5	Confident	85.1	Confident	10 Å²	10	59.8 Å²	59.8	5%	0.049	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	144	-173.3	-49.5	-160.9	73.7	0	0	111.2	H51 F77 Q79 L83 L120 V121 I122 N123	H51-M81 WeakPolarHBondContact CE1-CE 3.08Å; H51-M81 VanDerWaalsContact ND1-CE 3.28Å; H51-M81 WeakPolarHBondContact ND1-CE 3.03Å; F77-M81 HydrophobicContact CB-SD 3.92Å; F77-M81 HydrophobicContact CG-SD 4.48Å; Q79-M81 HydrophobicContact CG-CE 4.46Å; Q79-M81 HydrophobicContact CG-CG 3.74Å; Q79-M81 HydrophobicContact CG-SD 3.86Å; M81-L83 WeakPolarHBondContact O-CD1 3.35Å; M81-L120 HydrophobicContact CB-CB 4.08Å; M81-L120 HydrophobicContact CB-CD2 4.3Å; M81-L120 HydrophobicContact CE-CB 3.85Å; M81-L120 HydrophobicContact SD-CB 3.78Å; M81-L120 HydrophobicContact SD-CD1 3.93Å; M81-L120 HydrophobicContact SD-CG 4.44Å; M81-V121 CarbonylContact C-O 3.56Å; M81-V121 VanDerWaalsContact CA-O 3.25Å; M81-V121 WeakPolarHBondContact CA-O 3.47Å; M81-V121 WeakPolarHBondContact CB-O 3.45Å; M81-I122 HydrophobicContact CE-CG1 3.56Å; M81-N123 WeakPolarHBondContact CA-OD1 3.41Å
82	D	91.2	Very high	84.8	Confident	67 Å²	67	59.9 Å²	59.9	36%	0.358	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	131.4	172.1	-67	-41.1	0	0	0	111	H84 V121 N123	D82-H84 PolarHBondContact O-ND1 2.59Å; D82-V121 HydrophobicContact CB-CB 4.47Å; D82-V121 PolarHBondContact N-O 3.46Å; D82-V121 PolarHBondContact O-N 3.07Å; D82-N123 PolarHBondContact N-OD1 3.33Å; D82-N123 PolarHBondContact OD1-ND2 3.34Å; D82-N123 VanDerWaalsContact OD2-CG 3.29Å; D82-N123 PolarHBondContact OD2-ND2 2.97Å
83	L	93.3	Very high	84.7	Confident	6 Å²	6	59.5 Å²	59.5	3%	0.031	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	127.4	-168.5	-59	92.4	0	0	0	109.7	F49 L69 R70 A73 M81 L94 I118 L120	F49-L83 HydrophobicContact CE1-CD2 4.2Å; L69-L83 HydrophobicContact CD2-CD2 3.24Å; R70-L83 HydrophobicContact CB-CD1 4.42Å; R70-L83 HydrophobicContact CG-CD1 3.35Å; R70-L83 HydrophobicContact CG-CD2 4.39Å; A73-L83 HydrophobicContact CB-CD2 4.32Å; M81-L83 WeakPolarHBondContact O-CD1 3.35Å; L83-L94 HydrophobicContact CB-CB 4.36Å; L83-L94 WeakPolarHBondContact O-CB 3.46Å; L83-L94 PolarHBondContact O-N 3.08Å; L83-I118 HydrophobicContact CB-CG2 3.88Å; L83-I118 HydrophobicContact CD2-CG2 4.33Å; L83-I118 HydrophobicContact CG-CG2 4.42Å; L83-L120 HydrophobicContact CB-CD2 4.4Å; L83-L120 HydrophobicContact CD2-CD2 4.14Å; L83-L120 HydrophobicContact CG-CD2 3.78Å
84	H	91.9	Very high	84.8	Confident	37 Å²	37	59.6 Å²	59.6	17%	0.171	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	114.5	-177.7	-62.4	71.7	0	0	0	110.2	D82 V91 I92 I118 L119	D82-H84 PolarHBondContact O-ND1 2.59Å; H84-V91 HydrophobicContact CB-CG1 3.63Å; H84-I92 CarbonylContact C-O 3.59Å; H84-I92 WeakPolarHBondContact CA-O 3.43Å; H84-I118 CarbonylContact O-C 3.59Å; H84-I118 VanDerWaalsContact O-CA 3.27Å; H84-I118 WeakPolarHBondContact O-CA 3.46Å; H84-L119 HydrophobicContact CB-CB 4.35Å; H84-L119 PolarHBondContact N-O 3.12Å; H84-L119 PolarHBondContact O-N 3.13Å
85	Y	92.8	Very high	84.7	Confident	13 Å²	13	58 Å²	58	5%	0.051	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.8	140.2	171	167.3	-109.9	0	0	0	110.3	V91 I92 A103 L106 M113 L116 K117	Y85-V91 CarbonylContact O-C 3.52Å; Y85-V91 WeakPolarHBondContact O-CA 3.49Å; Y85-I92 HydrophobicContact CD1-CD1 4.31Å; Y85-I92 PolarHBondContact N-O 3.22Å; Y85-I92 PolarHBondContact O-N 2.92Å; Y85-A103 HydrophobicContact CD1-CB 4.32Å; Y85-A103 HydrophobicContact CD2-CB 4.1Å; Y85-A103 HydrophobicContact CG-CB 3.96Å; Y85-L106 HydrophobicContact CE1-CD1 4.21Å; Y85-M113 HydrophobicContact CE2-CE 4.31Å; Y85-L116 HydrophobicContact CD2-CD1 3.64Å; Y85-L116 HydrophobicContact CD2-CG 4.06Å; Y85-L116 HydrophobicContact CE2-CD1 3.64Å; Y85-L116 HydrophobicContact CE2-CG 4.37Å; Y85-K117 WeakPolarHBondContact CA-O 3.37Å; Y85-K117 WeakPolarHBondContact CD2-O 3.49Å
86	T	86.4	Confident	84.8	Confident	20 Å²	20	54.4 Å²	54.4	12%	0.123	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	149.5	174.4	-176	0	0	0	0	112.8	N88 L90 K117 L119	T86-N88 PolarHBondContact OG1-N 3.25Å; T86-L90 VanDerWaalsContact CA-O 3.29Å; T86-L90 WeakPolarHBondContact CA-O 3.34Å; T86-L90 WeakPolarHBondContact CB-O 3.19Å; T86-L90 PolarHBondContact OG1-O 2.91Å; T86-K117 HydrophobicContact CG2-CB 3.87Å; T86-K117 PolarHBondContact N-O 2.88Å; T86-K117 WeakPolarHBondContact O-CB 3.49Å; T86-L119 HydrophobicContact CG2-CB 4.44Å
87	N	78.2	Confident	85	Confident	50 Å²	50	56.7 Å²	56.7	27%	0.267	32%	0.324	S	S	.	.			trans	-117	8.8	172.7	67.2	-6	0	0	0	113.3	E89 L90	N87-E89 WeakPolarHBondContact OD1-CA 3.24Å; N87-E89 PolarHBondContact OD1-N 3.39Å; N87-L90 PolarHBondContact N-O 3.34Å; N87-L90 PolarHBondContact OD1-N 3.47Å
88	N	65.4	Low	85	Confident	134 Å²	134	59.6 Å²	59.6	72%	0.717	34%	0.341	S	S	*	.	S	Bend	trans	82	-19.6	-164.9	-61.5	17.1	0	0	0	115.9	T86 K117	T86-N88 PolarHBondContact OG1-N 3.25Å; N88-K117 PolarHBondContact OD1-NZ 3.06Å
89	E	59.6	Low	85.3	Confident	121 Å²	121	58.3 Å²	58.3	57%	0.565	32%	0.318	S	S	*	.	S	Bend	trans	-106.6	-23.8	178.8	-63	-167.8	119.6	0	0	113.1	N87 K507	N87-E89 WeakPolarHBondContact OD1-CA 3.24Å; N87-E89 PolarHBondContact OD1-N 3.39Å; E89-K507 IonicContact OE1-NZ 2.8Å; E89-K507 PolarHBondContact OE1-NZ 3.26Å
90	L	69.9	Low	85.5	Confident	84 Å²	84	54.9 Å²	54.9	44%	0.44	30%	0.302	S	S	.	.			trans	-132.1	155.6	-179.7	-62.1	173.5	0	0	0	110.4	T86 N87	T86-L90 VanDerWaalsContact CA-O 3.29Å; T86-L90 WeakPolarHBondContact CA-O 3.34Å; T86-L90 WeakPolarHBondContact CB-O 3.19Å; T86-L90 PolarHBondContact OG1-O 2.91Å; N87-L90 PolarHBondContact N-O 3.34Å; N87-L90 PolarHBondContact OD1-N 3.47Å
91	V	84	Confident	85.7	Confident	51 Å²	51	54.7 Å²	54.7	31%	0.309	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	118.4	171.7	-179.7	0	0	0	0	107.2	H84 Y85 L119	H84-V91 HydrophobicContact CB-CG1 3.63Å; Y85-V91 CarbonylContact O-C 3.52Å; Y85-V91 WeakPolarHBondContact O-CA 3.49Å; V91-L119 HydrophobicContact CG1-CD2 4.21Å
92	I	85.2	Confident	85.8	Confident	63 Å²	63	59.3 Å²	59.3	32%	0.323	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.1	-171.1	-55.6	179.2	0	0	0	109	H84 Y85	H84-I92 CarbonylContact C-O 3.59Å; H84-I92 WeakPolarHBondContact CA-O 3.43Å; Y85-I92 HydrophobicContact CD1-CD1 4.31Å; Y85-I92 PolarHBondContact N-O 3.22Å; Y85-I92 PolarHBondContact O-N 2.92Å
93	P	89.9	Confident	85.7	Confident	64 Å²	64	56.2 Å²	56.2	42%	0.416	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	135.3	179	29.3	-35	0	0	0	111.4	T95	P93-T95 HydrophobicContact CB-CG2 4.03Å; P93-T95 HydrophobicContact CG-CG2 4.43Å; P93-T95 PolarHBondContact O-N 3.38Å
94	L	91.2	Very high	85.5	Confident	5 Å²	5	56.7 Å²	56.7	3%	0.026	30%	0.301	C	S	.	.			trans	-96.5	81.5	176.5	-60.8	178	0	0	0	109	L66 R70 L83 D99 L100 A103 I118	L66-L94 HydrophobicContact CD1-CB 4.12Å; R70-L94 PolarHBondContact NH2-O 2.88Å; R70-L94 VanDerWaalsContact NH2-O 3.11Å; L83-L94 HydrophobicContact CB-CB 4.36Å; L83-L94 WeakPolarHBondContact O-CB 3.46Å; L83-L94 PolarHBondContact O-N 3.08Å; L94-D99 HydrophobicContact CD2-CB 3.86Å; L94-L100 HydrophobicContact CD1-CD1 4.3Å; L94-A103 HydrophobicContact CD2-CB 4.3Å; L94-I118 HydrophobicContact CD1-CD1 3.53Å; L94-I118 HydrophobicContact CD1-CG1 3.94Å
95	T	89.3	Confident	85.4	Confident	88 Å²	88	59.3 Å²	59.3	54%	0.54	31%	0.314	S	S	.	.			trans	-85.9	-41.5	-174.7	65.6	0	0	0	0	111.6	R70 P93 D99	R70-T95 PolarHBondContact NH2-O 3.42Å; P93-T95 HydrophobicContact CB-CG2 4.03Å; P93-T95 HydrophobicContact CG-CG2 4.43Å; P93-T95 PolarHBondContact O-N 3.38Å; T95-D99 WeakPolarHBondContact CA-OD2 3.18Å; T95-D99 PolarHBondContact N-OD2 2.85Å; T95-D99 PolarHBondContact OG1-OD2 2.95Å
96	T	91.8	Very high	85.1	Confident	66 Å²	66	63.1 Å²	63.1	41%	0.405	33%	0.334	S	S	.	.	S	Bend	trans	-117.4	163.7	-175.9	68.7	0	0	0	0	112	L66 D98 D99	L66-T96 VanDerWaalsContact CD2-C 3.49Å; L66-T96 WeakPolarHBondContact CD2-O 3.2Å; T96-D98 VanDerWaalsContact C-N 3.27Å; T96-D98 PolarHBondContact O-N 3.25Å; T96-D99 PolarHBondContact N-OD2 3.04Å; T96-D99 WeakPolarHBondContact O-CB 3.18Å; T96-D99 PolarHBondContact O-N 2.65Å; T96-D99 PolarHBondContact OG1-N 2.92Å; T96-D99 PolarHBondContact OG1-OD1 3.42Å; T96-D99 PolarHBondContact OG1-OD2 2.95Å
97	Q	92	Very high	85.1	Confident	67 Å²	67	62.8 Å²	62.8	31%	0.313	33%	0.332	S	S	.	.	H	α-helix	trans	-62.6	-35.4	174.3	-178	61.9	43.8	0	0	112.1	V64 D99 L100 D101	V64-Q97 PolarHBondContact O-NE2 3.29Å; Q97-D99 VanDerWaalsContact C-N 3.34Å; Q97-D99 PolarHBondContact O-N 2.89Å; Q97-L100 WeakPolarHBondContact O-CB 3.39Å; Q97-L100 PolarHBondContact O-N 3.37Å; Q97-D101 WeakPolarHBondContact CG-OD2 3.16Å; Q97-D101 PolarHBondContact NE2-OD1 3.31Å; Q97-D101 PolarHBondContact O-N 3.06Å
98	D	88.7	Confident	85.4	Confident	86 Å²	86	64.7 Å²	64.7	46%	0.46	34%	0.342	S	S	.	.	H	α-helix	trans	-62.3	-37.2	177.2	174.6	46.8	0	0	0	112.2	T96 L100 D101 K102	T96-D98 VanDerWaalsContact C-N 3.27Å; T96-D98 PolarHBondContact O-N 3.25Å; D98-L100 VanDerWaalsContact C-N 3.3Å; D98-L100 PolarHBondContact O-N 3.1Å; D98-D101 PolarHBondContact O-N 2.97Å; D98-K102 WeakPolarHBondContact O-CB 3.32Å; D98-K102 WeakPolarHBondContact O-CD 3.37Å; D98-K102 VanDerWaalsContact O-CG 3.27Å; D98-K102 WeakPolarHBondContact O-CG 3.36Å; D98-K102 PolarHBondContact O-N 3.33Å; D98-K102 WeakPolarHBondContact OD1-CE 3.38Å; D98-K102 IonicContact OD1-NZ 3.64Å; D98-K102 PolarHBondContact OD1-NZ 3.38Å; D98-K102 VanDerWaalsContact OD1-NZ 3.11Å; D98-K102 IonicContact OD2-NZ 3.82Å; D98-K102 PolarHBondContact OD2-NZ 3.26Å
99	D	90.4	Very high	86.3	Confident	41 Å²	41	67.2 Å²	67.2	22%	0.219	34%	0.341	C	S	.	.	H	α-helix	trans	-59.8	-40.5	171.5	-56.4	-39.7	0	0	0	111.8	L94 T95 T96 Q97 A103	L94-D99 HydrophobicContact CD2-CB 3.86Å; T95-D99 WeakPolarHBondContact CA-OD2 3.18Å; T95-D99 PolarHBondContact N-OD2 2.85Å; T95-D99 PolarHBondContact OG1-OD2 2.95Å; T96-D99 PolarHBondContact N-OD2 3.04Å; T96-D99 WeakPolarHBondContact O-CB 3.18Å; T96-D99 PolarHBondContact O-N 2.65Å; T96-D99 PolarHBondContact OG1-N 2.92Å; T96-D99 PolarHBondContact OG1-OD1 3.42Å; T96-D99 PolarHBondContact OG1-OD2 2.95Å; Q97-D99 VanDerWaalsContact C-N 3.34Å; Q97-D99 PolarHBondContact O-N 2.89Å; D99-A103 WeakPolarHBondContact O-CB 3.38Å; D99-A103 PolarHBondContact O-N 2.99Å; D99-A103 VanDerWaalsContact O-N 3.14Å
100	L	91.3	Very high	87.2	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-75	-42.1	-179.5	175.3	59.3	0	0	0	112.1	V64 L66 L69 L94 Q97 D98 K102 A103 V104 L116	V64-L100 HydrophobicContact CG1-CD2 4.28Å; V64-L100 VanDerWaalsContact O-CD2 3.26Å; V64-L100 WeakPolarHBondContact O-CD2 3.32Å; L66-L100 HydrophobicContact CB-CD2 3.87Å; L66-L100 HydrophobicContact CD1-CD2 4.16Å; L69-L100 HydrophobicContact CD1-CD1 3.72Å; L69-L100 HydrophobicContact CD1-CD2 3.93Å; L94-L100 HydrophobicContact CD1-CD1 4.3Å; Q97-L100 WeakPolarHBondContact O-CB 3.39Å; Q97-L100 PolarHBondContact O-N 3.37Å; D98-L100 VanDerWaalsContact C-N 3.3Å; D98-L100 PolarHBondContact O-N 3.1Å; L100-K102 VanDerWaalsContact C-N 3.34Å; L100-K102 PolarHBondContact O-N 3.13Å; L100-A103 CarbonylContact O-C 3.6Å; L100-A103 PolarHBondContact O-N 3.23Å; L100-A103 VanDerWaalsContact O-N 3.1Å; L100-V104 HydrophobicContact CD1-CG2 4.22Å; L100-V104 WeakPolarHBondContact O-CG2 3.44Å; L100-V104 PolarHBondContact O-N 3.07Å; L100-L116 HydrophobicContact CD1-CD2 3.95Å
101	D	91.2	Very high	87.6	Confident	76 Å²	76	66.3 Å²	66.3	41%	0.406	34%	0.342	S	S	.	.	H	α-helix	trans	-63.7	-41.2	178.9	-69.9	-24.5	0	0	0	110.7	Q97 D98 A103 V104 E105	Q97-D101 WeakPolarHBondContact CG-OD2 3.16Å; Q97-D101 PolarHBondContact NE2-OD1 3.31Å; Q97-D101 PolarHBondContact O-N 3.06Å; D98-D101 PolarHBondContact O-N 2.97Å; D101-A103 PolarHBondContact O-N 2.83Å; D101-V104 PolarHBondContact O-N 3.34Å; D101-E105 PolarHBondContact O-N 2.99Å
102	K	88.5	Confident	87.2	Confident	106 Å²	106	71.6 Å²	71.6	46%	0.461	36%	0.363	S	S	.	.	H	α-helix	trans	-59.8	-42.5	169.3	-72.9	164.5	-179.3	158.7	0	112.5	D98 L100 V104 E105 L106	D98-K102 WeakPolarHBondContact O-CB 3.32Å; D98-K102 WeakPolarHBondContact O-CD 3.37Å; D98-K102 VanDerWaalsContact O-CG 3.27Å; D98-K102 WeakPolarHBondContact O-CG 3.36Å; D98-K102 PolarHBondContact O-N 3.33Å; D98-K102 WeakPolarHBondContact OD1-CE 3.38Å; D98-K102 IonicContact OD1-NZ 3.64Å; D98-K102 PolarHBondContact OD1-NZ 3.38Å; D98-K102 VanDerWaalsContact OD1-NZ 3.11Å; D98-K102 IonicContact OD2-NZ 3.82Å; D98-K102 PolarHBondContact OD2-NZ 3.26Å; L100-K102 VanDerWaalsContact C-N 3.34Å; L100-K102 PolarHBondContact O-N 3.13Å; K102-V104 VanDerWaalsContact C-N 3.32Å; K102-V104 PolarHBondContact O-N 3.19Å; K102-E105 PolarHBondContact O-N 3.43Å; K102-L106 WeakPolarHBondContact O-CG 3.49Å; K102-L106 PolarHBondContact O-N 3.43Å
103	A	88.9	Confident	86.9	Confident	3 Å²	3	71 Å²	71	3%	0.025	36%	0.359	C	S	.	.	H	α-helix	trans	-67.7	-32.1	178.7	0	0	0	0	0	112.6	Y85 L94 D99 L100 D101 L107 L116	Y85-A103 HydrophobicContact CD1-CB 4.32Å; Y85-A103 HydrophobicContact CD2-CB 4.1Å; Y85-A103 HydrophobicContact CG-CB 3.96Å; L94-A103 HydrophobicContact CD2-CB 4.3Å; D99-A103 WeakPolarHBondContact O-CB 3.38Å; D99-A103 PolarHBondContact O-N 2.99Å; D99-A103 VanDerWaalsContact O-N 3.14Å; L100-A103 CarbonylContact O-C 3.6Å; L100-A103 PolarHBondContact O-N 3.23Å; L100-A103 VanDerWaalsContact O-N 3.1Å; D101-A103 PolarHBondContact O-N 2.83Å; A103-L107 PolarHBondContact O-N 2.87Å; A103-L116 HydrophobicContact CB-CD1 3.96Å; A103-L116 WeakPolarHBondContact O-CD1 3.3Å
104	V	89.8	Confident	86.6	Confident	15 Å²	15	76.4 Å²	76.4	9%	0.091	38%	0.377	C	S	.	.	H	α-helix	trans	-72.5	-37.7	171	173.4	0	0	0	0	111.4	V45 V64 L100 D101 K102 L107 D108	V45-V104 HydrophobicContact CG2-CG1 4.14Å; V64-V104 HydrophobicContact CG2-CG2 4.43Å; L100-V104 HydrophobicContact CD1-CG2 4.22Å; L100-V104 WeakPolarHBondContact O-CG2 3.44Å; L100-V104 PolarHBondContact O-N 3.07Å; D101-V104 PolarHBondContact O-N 3.34Å; K102-V104 VanDerWaalsContact C-N 3.32Å; K102-V104 PolarHBondContact O-N 3.19Å; V104-L107 WeakPolarHBondContact O-CB 3.47Å; V104-L107 PolarHBondContact O-N 2.87Å; V104-D108 PolarHBondContact O-N 2.8Å
105	E	88.8	Confident	86.6	Confident	93 Å²	93	76.7 Å²	76.7	44%	0.435	38%	0.379	S	S	.	.	H	α-helix	trans	-65	-39.6	173.5	-172.4	178.4	-155.3	0	0	112.1	D101 K102 L107 D108 R109	D101-E105 PolarHBondContact O-N 2.99Å; K102-E105 PolarHBondContact O-N 3.43Å; E105-L107 PolarHBondContact O-N 2.9Å; E105-D108 PolarHBondContact O-N 3.38Å; E105-D108 VanDerWaalsContact O-N 3.14Å; E105-R109 VanDerWaalsContact CD-NE 3.29Å; E105-R109 HydrophobicContact CG-CG 4.16Å; E105-R109 WeakPolarHBondContact O-CB 3.45Å; E105-R109 WeakPolarHBondContact O-CG 3.39Å; E105-R109 PolarHBondContact O-N 3.09Å; E105-R109 IonicContact OE1-CZ 2.66Å; E105-R109 IonicContact OE1-NE 3.71Å; E105-R109 PolarHBondContact OE1-NE 3.46Å; E105-R109 IonicContact OE1-NH2 2.72Å; E105-R109 PolarHBondContact OE1-NH2 2.77Å; E105-R109 IonicContact OE2-NE 2.88Å; E105-R109 IonicContact OE2-NH2 3.54Å
106	L	86.1	Confident	86.7	Confident	92 Å²	92	72.5 Å²	72.5	48%	0.482	35%	0.353	S	S	.	.	H	α-helix	trans	-61.6	-32	173.2	-74.4	173.4	0	0	0	112.7	Y85 K102 S110	Y85-L106 HydrophobicContact CE1-CD1 4.21Å; K102-L106 WeakPolarHBondContact O-CG 3.49Å; K102-L106 PolarHBondContact O-N 3.43Å; L106-S110 VanDerWaalsContact O-CB 3.23Å; L106-S110 WeakPolarHBondContact O-CB 3.32Å
107	L	86.6	Confident	86.8	Confident	14 Å²	14	72 Å²	72	7%	0.073	35%	0.345	C	S	.	.	H	α-helix	trans	-68	-47.7	171	173	65.2	0	0	0	110.8	V45 A103 V104 E105 R109 S110 M113 L116	V45-L107 HydrophobicContact CG1-CD2 3.85Å; A103-L107 PolarHBondContact O-N 2.87Å; V104-L107 WeakPolarHBondContact O-CB 3.47Å; V104-L107 PolarHBondContact O-N 2.87Å; E105-L107 PolarHBondContact O-N 2.9Å; L107-R109 PolarHBondContact O-N 2.83Å; L107-S110 PolarHBondContact O-N 2.96Å; L107-S110 VanDerWaalsContact O-N 3.15Å; L107-M113 HydrophobicContact CD1-CB 3.6Å; L107-M113 WeakPolarHBondContact CD1-O 3.47Å; L107-L116 HydrophobicContact CD2-CB 4.34Å
108	D	85.4	Confident	86.9	Confident	89 Å²	89	68.8 Å²	68.8	48%	0.476	33%	0.33	S	S	.	.	H	α-helix	trans	-69.1	-33.7	-175.5	-70.5	-15.7	0	0	0	113.6	R62 V104 E105 S110	R62-D108 IonicContact CZ-OD1 2.64Å; R62-D108 IonicContact CZ-OD2 3.48Å; R62-D108 IonicContact NH1-OD1 3.73Å; R62-D108 PolarHBondContact NH1-OD1 2.99Å; R62-D108 IonicContact NH1-OD2 3.83Å; R62-D108 PolarHBondContact NH1-OD2 3.49Å; R62-D108 IonicContact NH2-OD1 2.73Å; R62-D108 PolarHBondContact NH2-OD1 2.98Å; R62-D108 IonicContact NH2-OD2 3.84Å; V104-D108 PolarHBondContact O-N 2.8Å; E105-D108 PolarHBondContact O-N 3.38Å; E105-D108 VanDerWaalsContact O-N 3.14Å; D108-S110 PolarHBondContact O-N 3.01Å
109	R	83.3	Confident	87	Confident	187 Å²	187	67.3 Å²	67.3	71%	0.706	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-7.1	173.9	-67.7	177.3	178.2	-146.3	9.7	113.2	E105 L107	E105-R109 VanDerWaalsContact CD-NE 3.29Å; E105-R109 HydrophobicContact CG-CG 4.16Å; E105-R109 WeakPolarHBondContact O-CB 3.45Å; E105-R109 WeakPolarHBondContact O-CG 3.39Å; E105-R109 PolarHBondContact O-N 3.09Å; E105-R109 IonicContact OE1-CZ 2.66Å; E105-R109 IonicContact OE1-NE 3.71Å; E105-R109 PolarHBondContact OE1-NE 3.46Å; E105-R109 IonicContact OE1-NH2 2.72Å; E105-R109 PolarHBondContact OE1-NH2 2.77Å; E105-R109 IonicContact OE2-NE 2.88Å; E105-R109 IonicContact OE2-NH2 3.54Å; L107-R109 PolarHBondContact O-N 2.83Å
110	S	79.5	Confident	87	Confident	34 Å²	34	65.5 Å²	65.5	24%	0.238	31%	0.313	C	S	.	.			trans	-112.6	101.5	-169.5	-176.4	0	0	0	0	113.6	L106 L107 D108 H112 M113	L106-S110 VanDerWaalsContact O-CB 3.23Å; L106-S110 WeakPolarHBondContact O-CB 3.32Å; L107-S110 PolarHBondContact O-N 2.96Å; L107-S110 VanDerWaalsContact O-N 3.15Å; D108-S110 PolarHBondContact O-N 3.01Å; S110-H112 PolarHBondContact O-N 3.37Å; S110-M113 PolarHBondContact O-N 2.91Å; S110-M113 WeakPolarHBondContact OG-CG 3.4Å
111	I	77.4	Confident	86.9	Confident	153 Å²	153	68.3 Å²	68.3	79%	0.785	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-16.5	177.4	63.8	175.3	0	0	0	114.8
112	H	75.1	Confident	86.6	Confident	161 Å²	161	67.8 Å²	67.8	75%	0.745	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.5	-21.4	-179.9	-62.7	107.3	0	0	0	113.6	S110	S110-H112 PolarHBondContact O-N 3.37Å
113	M	79.5	Confident	85.8	Confident	50 Å²	50	65.8 Å²	65.8	25%	0.246	32%	0.32	C	S	.	.			trans	-94.9	116	-174.9	-69.5	-177.9	60.5	0	0	111	Y85 L107 S110	Y85-M113 HydrophobicContact CE2-CE 4.31Å; L107-M113 HydrophobicContact CD1-CB 3.6Å; L107-M113 WeakPolarHBondContact CD1-O 3.47Å; S110-M113 PolarHBondContact O-N 2.91Å; S110-M113 WeakPolarHBondContact OG-CG 3.4Å
114	K	84.9	Confident	84	Confident	179 Å²	179	69.8 Å²	69.8	78%	0.778	36%	0.362	S	S	*	.	S	Bend	trans	-103.6	8.8	178.9	-58	-176.8	-178.5	-179.7	0	113.2
115	S	90.2	Very high	81.5	Confident	10 Å²	10	73.7 Å²	73.7	7%	0.07	39%	0.39	C	S	.	.	S	Bend	trans	-169.6	140.9	179	57.2	0	0	0	0	111.1	R46 K48	R46-S115 CarbonylContact O-C 3.47Å; R46-S115 WeakPolarHBondContact O-CA 3.3Å; R46-S115 VanDerWaalsContact O-CB 3.26Å; R46-S115 WeakPolarHBondContact O-CB 3.32Å; K48-S115 WeakPolarHBondContact CD-OG 3.49Å; K48-S115 WeakPolarHBondContact CE-OG 3.49Å
116	L	92.2	Very high	78.9	Confident	0 Å²	0	75.5 Å²	75.5	0%	0	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	142	161.4	-157.6	71.1	0	0	0	108.8	V45 R46 V47 K48 Y85 L100 A103 L107 I118	V45-L116 HydrophobicContact CG1-CB 4.48Å; R46-L116 PolarHBondContact O-N 3.01Å; V47-L116 HydrophobicContact CG2-CB 4.23Å; V47-L116 HydrophobicContact CG2-CD2 4.27Å; K48-L116 PolarHBondContact N-O 2.74Å; Y85-L116 HydrophobicContact CD2-CD1 3.64Å; Y85-L116 HydrophobicContact CD2-CG 4.06Å; Y85-L116 HydrophobicContact CE2-CD1 3.64Å; Y85-L116 HydrophobicContact CE2-CG 4.37Å; L100-L116 HydrophobicContact CD1-CD2 3.95Å; A103-L116 HydrophobicContact CB-CD1 3.96Å; A103-L116 WeakPolarHBondContact O-CD1 3.3Å; L107-L116 HydrophobicContact CD2-CB 4.34Å; L116-I118 HydrophobicContact CD2-CD1 3.73Å; L116-I118 HydrophobicContact CD2-CG1 4.2Å; L116-I118 HydrophobicContact CG-CD1 4.46Å; L116-I118 HydrophobicContact CG-CG1 4.41Å
117	K	92.9	Very high	76.2	Confident	56 Å²	56	79.8 Å²	79.8	24%	0.243	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.1	167.9	-46.7	167	-175.9	163.6	0	108.6	K48 Y85 T86 N88	K48-K117 CarbonylContact O-C 3.59Å; K48-K117 WeakPolarHBondContact O-CA 3.36Å; Y85-K117 WeakPolarHBondContact CA-O 3.37Å; Y85-K117 WeakPolarHBondContact CD2-O 3.49Å; T86-K117 HydrophobicContact CG2-CB 3.87Å; T86-K117 PolarHBondContact N-O 2.88Å; T86-K117 WeakPolarHBondContact O-CB 3.49Å; N88-K117 PolarHBondContact OD1-NZ 3.06Å
118	I	93.8	Very high	73.7	Confident	0 Å²	0	83.8 Å²	83.8	0%	0	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	116.7	178.7	-71.5	175.9	0	0	0	108.7	V47 K48 F49 E50 L69 L83 H84 L94 L116 L120	V47-I118 HydrophobicContact CG1-CB 4.5Å; V47-I118 HydrophobicContact CG1-CD1 3.93Å; V47-I118 HydrophobicContact CG1-CG1 4.35Å; K48-I118 PolarHBondContact O-N 2.9Å; F49-I118 CarbonylContact C-O 3.55Å; F49-I118 VanDerWaalsContact CA-O 3.29Å; F49-I118 WeakPolarHBondContact CA-O 3.35Å; F49-I118 HydrophobicContact CD1-CB 4.2Å; F49-I118 HydrophobicContact CD1-CG2 4.02Å; F49-I118 HydrophobicContact CE1-CB 4.38Å; F49-I118 HydrophobicContact CE1-CG2 4.11Å; E50-I118 PolarHBondContact N-O 3.15Å; L69-I118 HydrophobicContact CD1-CD1 3.84Å; L69-I118 HydrophobicContact CD2-CD1 3.51Å; L69-I118 HydrophobicContact CG-CD1 4.35Å; L83-I118 HydrophobicContact CB-CG2 3.88Å; L83-I118 HydrophobicContact CD2-CG2 4.33Å; L83-I118 HydrophobicContact CG-CG2 4.42Å; H84-I118 CarbonylContact O-C 3.59Å; H84-I118 VanDerWaalsContact O-CA 3.27Å; H84-I118 WeakPolarHBondContact O-CA 3.46Å; L94-I118 HydrophobicContact CD1-CD1 3.53Å; L94-I118 HydrophobicContact CD1-CG1 3.94Å; L116-I118 HydrophobicContact CD2-CD1 3.73Å; L116-I118 HydrophobicContact CD2-CG1 4.2Å; L116-I118 HydrophobicContact CG-CD1 4.46Å; L116-I118 HydrophobicContact CG-CG1 4.41Å; I118-L120 HydrophobicContact CG2-CD2 4Å
119	L	92	Very high	71.1	Confident	55 Å²	55	85 Å²	85	29%	0.288	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	136.3	167.5	-175	72.2	0	0	0	108.7	E50 H84 T86 V91	E50-L119 HydrophobicContact CB-CD1 4.4Å; E50-L119 HydrophobicContact CG-CD1 4.28Å; E50-L119 CarbonylContact O-C 3.56Å; E50-L119 WeakPolarHBondContact O-CA 3.45Å; H84-L119 HydrophobicContact CB-CB 4.35Å; H84-L119 PolarHBondContact N-O 3.12Å; H84-L119 PolarHBondContact O-N 3.13Å; T86-L119 HydrophobicContact CG2-CB 4.44Å; V91-L119 HydrophobicContact CG1-CD2 4.21Å
120	L	90.3	Very high	68.5	Low	3 Å²	3	83.9 Å²	83.9	2%	0.016	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	131	176.8	-61.2	176.7	0	0	0	110.4	F49 E50 H51 A73 F77 M81 L83 I118	F49-L120 HydrophobicContact CB-CD1 4.2Å; F49-L120 HydrophobicContact CD1-CD1 3.89Å; F49-L120 HydrophobicContact CD1-CD2 3.86Å; F49-L120 HydrophobicContact CD1-CG 3.99Å; F49-L120 HydrophobicContact CE1-CD2 4.23Å; F49-L120 HydrophobicContact CG-CD1 4.38Å; E50-L120 PolarHBondContact O-N 2.97Å; H51-L120 HydrophobicContact CB-CB 4.2Å; H51-L120 PolarHBondContact ND1-O 3.2Å; A73-L120 HydrophobicContact CB-CD1 4.23Å; A73-L120 HydrophobicContact CB-CD2 4.19Å; F77-L120 HydrophobicContact CD2-CD1 3.36Å; F77-L120 HydrophobicContact CE2-CD1 3.51Å; F77-L120 HydrophobicContact CG-CD1 3.98Å; F77-L120 HydrophobicContact CZ-CD1 4.21Å; M81-L120 HydrophobicContact CB-CB 4.08Å; M81-L120 HydrophobicContact CB-CD2 4.3Å; M81-L120 HydrophobicContact CE-CB 3.85Å; M81-L120 HydrophobicContact SD-CB 3.78Å; M81-L120 HydrophobicContact SD-CD1 3.93Å; M81-L120 HydrophobicContact SD-CG 4.44Å; L83-L120 HydrophobicContact CB-CD2 4.4Å; L83-L120 HydrophobicContact CD2-CD2 4.14Å; L83-L120 HydrophobicContact CG-CD2 3.78Å; I118-L120 HydrophobicContact CG2-CD2 4Å
121	V	88.4	Confident	66.2	Low	59 Å²	59	90.7 Å²	90.7	36%	0.358	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144	179.2	-177.4	0	0	0	0	108.8	M81 D82	M81-V121 CarbonylContact C-O 3.56Å; M81-V121 VanDerWaalsContact CA-O 3.25Å; M81-V121 WeakPolarHBondContact CA-O 3.47Å; M81-V121 WeakPolarHBondContact CB-O 3.45Å; D82-V121 HydrophobicContact CB-CB 4.47Å; D82-V121 PolarHBondContact N-O 3.46Å; D82-V121 PolarHBondContact O-N 3.07Å
122	I	84.4	Confident	63.7	Low	65 Å²	65	92 Å²	92	33%	0.333	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.8	178.3	-59.9	170.8	0	0	0	108.6	M81 G124	M81-I122 HydrophobicContact CE-CG1 3.56Å; I122-G124 PolarHBondContact O-N 3.3Å; I122-G124 VanDerWaalsContact O-N 3.12Å
123	N	71.3	Confident	61.8	Low	64 Å²	64	89.9 Å²	89.9	34%	0.342	52%	0.515	S	S	.	.			trans	-59.7	109.9	178.4	-64.3	75	0	0	0	111.3	S80 M81 D82 S125	S80-N123 PolarHBondContact O-OD1 2.94Å; M81-N123 WeakPolarHBondContact CA-OD1 3.41Å; D82-N123 PolarHBondContact N-OD1 3.33Å; D82-N123 PolarHBondContact OD1-ND2 3.34Å; D82-N123 VanDerWaalsContact OD2-CG 3.29Å; D82-N123 PolarHBondContact OD2-ND2 2.97Å; N123-S125 PolarHBondContact O-N 3.23Å
124	G	52.8	Low	59.1	Low	87 Å²	87	95.3 Å²	95.3	90%	0.897	54%	0.544	S	S	*	.			trans	-86.9	71.7	-177.4	0	0	0	0	0	114	I122	I122-G124 PolarHBondContact O-N 3.3Å; I122-G124 VanDerWaalsContact O-N 3.12Å
125	S	36.2	Very low	56.6	Low	96 Å²	96	91.8 Å²	91.8	67%	0.671	54%	0.539	S	S	*	.			trans	-141.8	82.2	175.6	64.3	0	0	0	0	113.2	N123	N123-S125 PolarHBondContact O-N 3.23Å
126	T	34.6	Very low	53.9	Low	132 Å²	132	96.6 Å²	96.6	81%	0.81	57%	0.573	S	S	*	*			trans	26.8	118.4	152.3	54.2	0	0	0	0	119.7
127	Q	29.5	Very low	50.8	Low	182 Å²	182	104.8 Å²	104.8	85%	0.85	62%	0.616	S	S	*	*				-107.1	133.7	118.3	-77.8	-164.9	-7.8	0	0	108.8
128	A	33.3	Very low	47.9	Very low	97 Å²	97	110.1 Å²	110.1	80%	0.802	64%	0.642	S	S	*	*			trans	-91.8	120.6	161.9	0	0	0	0	0	107.4
129	T	30.5	Very low	44.7	Very low	116 Å²	116	117.4 Å²	117.4	71%	0.712	68%	0.681	S	S	*	*			trans	-126.2	124.1	169.1	51.8	0	0	0	0	108.2
130	N	30.1	Very low	41.8	Very low	163 Å²	163	122.1 Å²	122.1	87%	0.872	71%	0.705	S	S	*	*			trans	-56.4	140.6	-169.9	-47.5	-52.9	0	0	0	113.3
131	L	30.5	Very low	38.7	Very low	177 Å²	177	128.3 Å²	128.3	93%	0.927	74%	0.738	S	S	*	*			trans	-145.9	136.3	134.9	-96.9	174.7	0	0	0	107.6
132	E	26.2	Very low	35.8	Very low	181 Å²	181	131 Å²	131	85%	0.846	75%	0.751	S	S	*	*			trans	-81.5	156.7	-178.7	-81.5	-147.6	127.9	0	0	113.1
133	P	34.2	Very low	33.1	Very low	115 Å²	115	133.7 Å²	133.7	75%	0.747	77%	0.77	S	S	*	*			trans	-86.2	138.8	179	34.8	-33.9	0	0	0	112.5
134	L	23.6	Very low	31.1	Very low	165 Å²	165	135.9 Å²	135.9	86%	0.864	79%	0.786	S	S	*	*			trans	-157.4	159.7	167.8	-104	159.5	0	0	0	107.9
135	P	31.1	Very low	29.9	Very low	105 Å²	105	141.4 Å²	141.4	68%	0.682	79%	0.786	S	S	*	*				-116.5	177.5	-97.3	40.5	-32.6	0	0	0	113.6
136	S	34.3	Very low	29.4	Very low	111 Å²	111	140 Å²	140	78%	0.776	79%	0.786	S	S	*	*			trans	-63.9	136.3	160	52.2	0	0	0	0	111.5
137	L	27.2	Very low	29.1	Very low	171 Å²	171	138.8 Å²	138.8	90%	0.895	79%	0.79	S	S	*	*			trans	-146.4	149.7	149.5	-144.5	82.3	0	0	0	110
138	E	30.8	Very low	29.2	Very low	169 Å²	169	135.1 Å²	135.1	79%	0.79	77%	0.772	S	S	*	*			trans	-91.9	173	168.9	-66	167	122.7	0	0	110.1
139	D	28.3	Very low	29	Very low	153 Å²	153	140.4 Å²	140.4	82%	0.818	77%	0.771	S	S	*	*			trans	75	151	155.6	-79.5	-11.9	0	0	0	123.6
140	L	29.8	Very low	29.2	Very low	154 Å²	154	142.7 Å²	142.7	81%	0.806	77%	0.772	S	S	*	*			trans	66.6	82.1	165.9	-88.9	74.9	0	0	0	121.5
141	D	26.7	Very low	29.1	Very low	132 Å²	132	144.2 Å²	144.2	71%	0.706	77%	0.77	S	S	*	*				64.9	131.1	99.5	-154.9	38.7	0	0	0	123.2
142	N	26.7	Very low	29.1	Very low	117 Å²	117	146.3 Å²	146.3	63%	0.626	77%	0.766	S	S	*	*			trans	71.5	135.6	144.1	-99.5	-41.1	0	0	0	125.8
143	T	28.5	Very low	29.3	Very low	120 Å²	120	144 Å²	144	74%	0.736	76%	0.758	S	S	*	*			trans	69.9	150.4	148.8	64.1	0	0	0	0	119.7
144	V	27.9	Very low	29	Very low	110 Å²	110	142.6 Å²	142.6	67%	0.667	75%	0.752	S	S	*	*			cis	-162.3	137.2	-9.9	120.4	0	0	0	0	111.7
145	F	27.7	Very low	29.3	Very low	204 Å²	204	141.9 Å²	141.9	90%	0.895	75%	0.747	S	S	*	*			trans	60.1	160	159.6	-71.7	-139.9	0	0	0	118.8
146	G	25.5	Very low	29.2	Very low	66 Å²	66	144.4 Å²	144.4	68%	0.68	75%	0.753	S	S	*	*			cis	157.5	150.4	-12.5	0	0	0	0	0	115.3
147	A	29.5	Very low	28.7	Very low	107 Å²	107	142 Å²	142	88%	0.884	75%	0.746	S	S	*	*			trans	66.6	158.9	170.1	0	0	0	0	0	117.8
148	E	30.4	Very low	29.4	Very low	105 Å²	105	139.2 Å²	139.2	49%	0.491	74%	0.738	S	S	.	*			cis	-147.8	158.7	-7.6	-130.3	-164.1	154.7	0	0	106.8	K150	E148-K150 WeakPolarHBondContact OE1-CD 3.36Å; E148-K150 WeakPolarHBondContact OE1-CE 3.32Å; E148-K150 IonicContact OE1-NZ 3.36Å; E148-K150 PolarHBondContact OE1-NZ 3.27Å
149	R	28.8	Very low	29.4	Very low	207 Å²	207	137.3 Å²	137.3	78%	0.781	74%	0.738	S	S	*	*				-177.8	120.1	59.8	-135.9	159.8	-138.6	-170.5	6.9	114.9
150	K	34.6	Very low	29.4	Very low	165 Å²	165	134.5 Å²	134.5	72%	0.717	73%	0.73	S	S	*	*			trans	26.9	130.9	134.8	-65.1	160.4	173.3	155.7	0	122.6	E148	E148-K150 WeakPolarHBondContact OE1-CD 3.36Å; E148-K150 WeakPolarHBondContact OE1-CE 3.32Å; E148-K150 IonicContact OE1-NZ 3.36Å; E148-K150 PolarHBondContact OE1-NZ 3.27Å
151	K	28.5	Very low	29.4	Very low	194 Å²	194	137.9 Å²	137.9	84%	0.843	73%	0.732	S	S	*	*				-179.7	125.6	101.2	-100.7	176.5	-177.9	175.5	0	116.3
152	R	31.6	Very low	29.6	Very low	222 Å²	222	137.3 Å²	137.3	84%	0.838	73%	0.729	S	S	*	*			trans	58.8	147.3	139.1	-76	-169.2	170.5	-171.4	-2.9	120.6
153	L	29.9	Very low	29.8	Very low	131 Å²	131	142.2 Å²	142.2	69%	0.686	74%	0.739	S	S	*	*			cis	-150.8	122.8	2.4	-101.9	151.8	0	0	0	108
154	S	28.6	Very low	30.2	Very low	86 Å²	86	141.8 Å²	141.8	60%	0.601	74%	0.741	S	S	*	*				67.8	114.3	103	79.5	0	0	0	0	116.6
155	I	29.9	Very low	31.1	Very low	150 Å²	150	141.9 Å²	141.9	77%	0.769	75%	0.747	S	S	*	*				167.8	147.3	92	-95.9	155.1	0	0	0	106.5
156	I	28.9	Very low	32.1	Very low	159 Å²	159	136.2 Å²	136.2	82%	0.815	73%	0.73	S	S	*	*			cis	-155.3	177.9	-9.8	-113.4	172.6	0	0	0	108.8
157	G	23.2	Very low	33.3	Very low	60 Å²	60	138 Å²	138	62%	0.619	73%	0.73	S	S	*	*			trans	-105	-149	176.6	0	0	0	0	0	115
158	P	42.2	Very low	33.7	Very low	113 Å²	113	139.7 Å²	139.7	73%	0.734	73%	0.732	S	S	*	*			cis	-145	178.5	13.1	44.9	-26.1	0	0	0	118.2
159	T	29.4	Very low	34.6	Very low	129 Å²	129	138.2 Å²	138.2	79%	0.791	74%	0.744	S	S	*	*			trans	62.2	151.8	154.2	50.2	0	0	0	0	121.3
160	S	28.5	Very low	35.7	Very low	93 Å²	93	135.6 Å²	135.6	65%	0.65	74%	0.736	S	S	*	*			cis	-176	156	-27.5	57.1	0	0	0	0	112.1
161	R	30.7	Very low	36.7	Very low	225 Å²	225	132.6 Å²	132.6	85%	0.849	73%	0.727	S	S	*	*			trans	93.4	143.9	156.7	-67.1	-171.4	178.3	173.8	-0.3	121.3
162	D	30.7	Very low	37.8	Very low	120 Å²	120	127 Å²	127	64%	0.642	71%	0.71	S	S	*	*			trans	66.6	105.2	151.5	-69.3	-53.7	0	0	0	124.2
163	R	31.7	Very low	38.4	Very low	221 Å²	221	121.7 Å²	121.7	83%	0.834	70%	0.698	S	S	*	*				64.7	144.8	121.4	-70.9	-179.2	171.8	-133.8	-3.7	122.8
164	S	36.9	Very low	39.2	Very low	110 Å²	110	124.4 Å²	124.4	77%	0.769	71%	0.707	S	S	*	*			trans	61.8	116.7	156.4	41.6	0	0	0	0	118.8
165	S	45.2	Very low	40.1	Very low	113 Å²	113	126.2 Å²	126.2	79%	0.79	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-60.5	138.1	156.5	-50	0	0	0	0	110.2
166	P	50	Low	40.8	Very low	85 Å²	85	124.8 Å²	124.8	55%	0.552	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-70.8	149.2	176	29.6	-34.4	0	0	0	111.6	Y170	P166-Y170 HydrophobicContact CB-CD1 4.42Å; P166-Y170 HydrophobicContact CB-CG 4.06Å; P166-Y170 HydrophobicContact CG-CD1 4.42Å
167	P	50.9	Low	41.5	Very low	104 Å²	104	126.1 Å²	126.1	68%	0.675	70%	0.702	S	S	*	*	P	Polyproline II helix	trans	-70	164.7	173.1	31	-35.4	0	0	0	111.9	G169	P167-G169 PolarHBondContact O-N 2.81Å
168	P	36	Very low	42.4	Very low	142 Å²	142	129.9 Å²	129.9	92%	0.922	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	127.2	176.2	-23.9	34.3	0	0	0	111.8
169	G	50.3	Low	42	Very low	73 Å²	73	128.7 Å²	128.7	75%	0.753	71%	0.713	S	S	*	*	T	Hydrogen-bonded Turn	trans	113.1	-0.1	179.5	0	0	0	0	0	116	P167	P167-G169 PolarHBondContact O-N 2.81Å
170	Y	52.3	Low	42.3	Very low	152 Å²	152	133.2 Å²	133.2	60%	0.596	72%	0.715	S	S	*	*			trans	-68.7	129.9	172.4	-176.7	-102.8	0	0	0	112	P166	P166-Y170 HydrophobicContact CB-CD1 4.42Å; P166-Y170 HydrophobicContact CB-CG 4.06Å; P166-Y170 HydrophobicContact CG-CD1 4.42Å
171	I	55.8	Low	42.4	Very low	103 Å²	103	136.6 Å²	136.6	53%	0.528	73%	0.726	S	S	.	*			trans	-117.6	129.8	179.8	-60.1	178.3	0	0	0	108.4	L175	I171-L175 HydrophobicContact CG2-CB 3.92Å; I171-L175 HydrophobicContact CG2-CD1 3.63Å; I171-L175 HydrophobicContact CG2-CG 4.41Å
172	P	51.2	Low	42.4	Very low	75 Å²	75	129.8 Å²	129.8	49%	0.487	73%	0.726	S	S	.	*			trans	-66.3	148.4	178.9	-22	33.9	0	0	0	114.1	E174 L175	P172-E174 PolarHBondContact O-N 3.38Å; P172-L175 PolarHBondContact O-N 2.83Å; P172-L175 VanDerWaalsContact O-N 3.09Å
173	D	44.2	Very low	42.3	Very low	112 Å²	112	130.1 Å²	130.1	60%	0.599	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-61.2	-18.5	-174.8	-81.4	-60	0	0	0	115.8	L175 H176	D173-L175 PolarHBondContact O-N 2.96Å; D173-L175 VanDerWaalsContact O-N 3.16Å; D173-H176 WeakPolarHBondContact O-CB 3.39Å; D173-H176 PolarHBondContact O-N 3.3Å; D173-H176 VanDerWaalsContact O-N 3.1Å; D173-H176 IonicContact OD1-CE1 2.94Å; D173-H176 PolarHBondContact OD1-CE1 2.92Å; D173-H176 IonicContact OD1-ND1 2.69Å; D173-H176 PolarHBondContact OD1-ND1 3.47Å
174	E	46.5	Very low	42.4	Very low	188 Å²	188	128.1 Å²	128.1	88%	0.879	74%	0.735	S	S	*	*	G	3₁₀ helix	trans	-64.8	-15.5	174.6	-62.8	-171.9	142.8	0	0	113.1	P172	P172-E174 PolarHBondContact O-N 3.38Å
175	L	47.9	Very low	42.2	Very low	123 Å²	123	129.7 Å²	129.7	64%	0.644	74%	0.74	S	S	*	*	G	3₁₀ helix	trans	-90.8	-6.7	174.4	-75.1	165.1	0	0	0	114.3	I171 P172 D173 Q177	I171-L175 HydrophobicContact CG2-CB 3.92Å; I171-L175 HydrophobicContact CG2-CD1 3.63Å; I171-L175 HydrophobicContact CG2-CG 4.41Å; P172-L175 PolarHBondContact O-N 2.83Å; P172-L175 VanDerWaalsContact O-N 3.09Å; D173-L175 PolarHBondContact O-N 2.96Å; D173-L175 VanDerWaalsContact O-N 3.16Å; L175-Q177 PolarHBondContact O-N 3.46Å; L175-Q177 VanDerWaalsContact O-N 3.13Å
176	H	44.8	Very low	41.5	Very low	120 Å²	120	128.2 Å²	128.2	56%	0.556	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.9	-4.8	-178.6	-84.5	133.6	0	0	0	114.9	D173	D173-H176 WeakPolarHBondContact O-CB 3.39Å; D173-H176 PolarHBondContact O-N 3.3Å; D173-H176 VanDerWaalsContact O-N 3.1Å; D173-H176 IonicContact OD1-CE1 2.94Å; D173-H176 PolarHBondContact OD1-CE1 2.92Å; D173-H176 IonicContact OD1-ND1 2.69Å; D173-H176 PolarHBondContact OD1-ND1 3.47Å
177	Q	43.9	Very low	40.6	Very low	187 Å²	187	132.5 Å²	132.5	87%	0.874	75%	0.747	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-1.7	-170.4	-120.7	174.6	68.3	0	0	116.5	L175	L175-Q177 PolarHBondContact O-N 3.46Å; L175-Q177 VanDerWaalsContact O-N 3.13Å
178	V	41.2	Very low	39.5	Very low	140 Å²	140	134.3 Å²	134.3	85%	0.848	75%	0.751	S	S	*	*	S	Bend	trans	-105	-17.5	176.2	-173.2	0	0	0	0	112.7	R180	V178-R180 PolarHBondContact O-N 2.96Å; V178-R180 VanDerWaalsContact O-N 3.07Å
179	A	33.3	Very low	39.2	Very low	88 Å²	88	132.6 Å²	132.6	73%	0.727	74%	0.742	S	S	*	*	S	Bend	trans	-83.1	31.2	-178.8	0	0	0	0	0	114.4
180	R	35.3	Very low	38.4	Very low	223 Å²	223	138.2 Å²	138.2	84%	0.842	75%	0.748	S	S	*	*			trans	-136.2	64.4	177.8	-76.2	-170.6	177.3	164.5	1.3	112.7	V178	V178-R180 PolarHBondContact O-N 2.96Å; V178-R180 VanDerWaalsContact O-N 3.07Å
181	N	32.2	Very low	37.2	Very low	165 Å²	165	134.6 Å²	134.6	88%	0.882	76%	0.757	S	S	*	*	S	Bend	trans	-149.4	139.2	150.7	-85.6	-46.9	0	0	0	107.6
182	G	29.7	Very low	35.8	Very low	82 Å²	82	138.3 Å²	138.3	85%	0.845	77%	0.772	S	S	*	*			trans	-77	179.9	-170.5	0	0	0	0	0	114.8
183	S	29.2	Very low	34.5	Very low	127 Å²	127	143.8 Å²	143.8	89%	0.888	79%	0.789	S	S	*	*			cis	-149.2	164.4	6.5	-165.3	0	0	0	0	111.9
184	F	33.4	Very low	34.1	Very low	179 Å²	179	145 Å²	145	79%	0.785	79%	0.794	S	S	*	*			trans	-105.3	136.9	-178.8	-139.9	-84.3	0	0	0	110.6	S186	F184-S186 WeakPolarHBondContact CE1-OG 3.3Å
185	T	32.3	Very low	33.6	Very low	143 Å²	143	141.1 Å²	141.1	88%	0.877	79%	0.785	S	S	*	*			trans	-144.5	112.7	156.4	47.5	0	0	0	0	110.1
186	S	30.8	Very low	32.8	Very low	82 Å²	82	144 Å²	144	57%	0.573	80%	0.796	S	S	*	*			trans	-85.9	154.2	171.8	-31	0	0	0	0	111	F184	F184-S186 WeakPolarHBondContact CE1-OG 3.3Å
187	I	30.7	Very low	32.1	Very low	175 Å²	175	143.5 Å²	143.5	90%	0.897	81%	0.805	S	S	*	*			trans	-148.2	157.7	142.1	22.9	173.5	0	0	0	109.1
188	N	29.2	Very low	31.4	Very low	142 Å²	142	142.2 Å²	142.2	76%	0.759	80%	0.801	S	S	*	*			trans	-109.2	168.8	-169.7	-65.3	-25.9	0	0	0	112.4
189	S	29.8	Very low	30.9	Very low	105 Å²	105	141 Å²	141	73%	0.734	79%	0.79	S	S	*	*			trans	76.7	155	135.8	52.8	0	0	0	0	121.8
190	E	32	Very low	30.7	Very low	191 Å²	191	143.8 Å²	143.8	89%	0.893	79%	0.788	S	S	*	*			trans	92.1	142.9	165.2	-48.3	-160.9	179.3	0	0	117.4
191	G	27.2	Very low	30.3	Very low	76 Å²	76	140.9 Å²	140.9	78%	0.784	79%	0.786	S	S	*	*			trans	-101.6	-152.2	-178.7	0	0	0	0	0	111.6
192	E	27.7	Very low	30.2	Very low	181 Å²	181	141.1 Å²	141.1	85%	0.846	79%	0.786	S	S	*	*			cis	-158.1	161.8	2.7	-165.2	176.5	-139.2	0	0	109.7
193	F	24.1	Very low	30.1	Very low	190 Å²	190	144 Å²	144	83%	0.833	78%	0.782	S	S	*	*			trans	73.4	166.2	159.5	-125.4	-104.6	0	0	0	120.4
194	I	34	Very low	30.6	Very low	138 Å²	138	142.3 Å²	142.3	71%	0.708	77%	0.768	S	S	*	*			trans	-131.5	157.1	-170.2	-25.3	176.5	0	0	0	108.2
195	P	36.5	Very low	30.4	Very low	107 Å²	107	141.4 Å²	141.4	70%	0.695	77%	0.771	S	S	*	*				-151.7	161.2	100.4	40.7	-24.6	0	0	0	115.9
196	E	32.4	Very low	30.3	Very low	184 Å²	184	140.5 Å²	140.5	86%	0.86	77%	0.77	S	S	*	*			trans	48.5	151.6	136.5	-69.6	175.5	179.4	0	0	122
197	S	29.1	Very low	30.3	Very low	109 Å²	109	145.2 Å²	145.2	76%	0.762	79%	0.788	S	S	*	*			cis	-160.7	-165.3	-9.7	52.5	0	0	0	0	110.2
198	M	29.6	Very low	30.3	Very low	160 Å²	160	142.7 Å²	142.7	79%	0.788	79%	0.786	S	S	*	*			trans	-47.6	157.6	175	-67.9	172.6	59.8	0	0	113.5
199	D	30.7	Very low	30.5	Very low	113 Å²	113	141.6 Å²	141.6	60%	0.604	79%	0.79	S	S	*	*				-169.2	174.4	55.3	-151.5	1.6	0	0	0	115.6
200	Q	28.4	Very low	31.7	Very low	147 Å²	147	142.2 Å²	142.2	69%	0.687	79%	0.791	S	S	*	*			trans	49	110.8	159.6	-69.8	161.1	60.2	0	0	118.8
201	M	27.1	Very low	31.6	Very low	163 Å²	163	141.4 Å²	141.4	80%	0.803	79%	0.787	S	S	*	*				66.7	101.4	67.6	-166.2	-151.6	-44.3	0	0	114.9
202	L	29.5	Very low	31.9	Very low	169 Å²	169	143.8 Å²	143.8	89%	0.885	78%	0.782	S	S	*	*				-172.6	172.1	123.7	-104.6	168.9	0	0	0	113.4
203	D	28.2	Very low	32.2	Very low	143 Å²	143	140.5 Å²	140.5	77%	0.765	78%	0.779	S	S	*	*			trans	-100.9	-157.7	-172.7	-153	10.5	0	0	0	110.6
204	P	39.8	Very low	32.6	Very low	91 Å²	91	134.7 Å²	134.7	59%	0.591	77%	0.773	S	S	*	*				-119.3	-179.4	-120.2	37.4	-19.7	0	0	0	116.7
205	L	30	Very low	32.7	Very low	160 Å²	160	134.4 Å²	134.4	84%	0.838	78%	0.783	S	S	*	*			trans	91	150	162.4	-53.6	175.3	0	0	0	119.4
206	S	29.8	Very low	32.5	Very low	125 Å²	125	132.7 Å²	132.7	87%	0.874	79%	0.785	S	S	*	*			trans	95.8	121.8	161	-46.7	0	0	0	0	117.5
207	L	30.4	Very low	32.6	Very low	181 Å²	181	128.6 Å²	128.6	95%	0.948	78%	0.777	S	S	*	*			trans	-92.9	127.5	177.5	-69.1	151.4	0	0	0	110.7
208	S	31	Very low	32.8	Very low	122 Å²	122	129.2 Å²	129.2	85%	0.853	78%	0.78	S	S	*	*			trans	-160.8	143.7	149.6	55.1	0	0	0	0	112.4
209	S	34.1	Very low	34	Very low	119 Å²	119	126.7 Å²	126.7	83%	0.832	78%	0.775	S	S	*	*			trans	-66.9	168.1	-176.1	-61.9	0	0	0	0	114.6
210	P	53.5	Low	34.3	Very low	117 Å²	117	126 Å²	126	76%	0.76	78%	0.78	S	S	*	*			trans	-101.7	179.2	-157.8	41.2	-37.3	0	0	0	114
211	E	31.4	Very low	34.7	Very low	174 Å²	174	126.1 Å²	126.1	81%	0.813	78%	0.784	S	S	*	*			trans	-159.9	150.7	131	-120.2	177.2	-163.6	0	0	115.8
212	N	33	Very low	35	Very low	126 Å²	126	124.3 Å²	124.3	67%	0.674	78%	0.777	S	S	*	*			trans	50.9	118.4	153.4	-92.2	-51.5	0	0	0	124.4
213	S	34.5	Very low	35.5	Very low	112 Å²	112	121.1 Å²	121.1	78%	0.783	77%	0.769	S	S	*	*				53	139.1	118.9	-56.1	0	0	0	0	122.5
214	G	31.7	Very low	36.9	Very low	69 Å²	69	119.6 Å²	119.6	71%	0.711	77%	0.767	S	S	*	*			cis	149.3	159.6	-6.9	0	0	0	0	0	115.1
215	S	35.5	Very low	36.6	Very low	131 Å²	131	122.4 Å²	122.4	92%	0.916	78%	0.777	S	S	*	*			trans	68.4	160.4	171.5	-156.4	0	0	0	0	117.7
216	G	32.8	Very low	36.8	Very low	72 Å²	72	122.2 Å²	122.2	74%	0.742	78%	0.776	S	S	*	*			trans	162.1	-9	171.3	0	0	0	0	0	121.2
217	S	34.8	Very low	36.9	Very low	98 Å²	98	120 Å²	120	69%	0.685	77%	0.773	S	S	*	*			trans	15.4	117.5	164.6	-55.3	0	0	0	0	122
218	C	33.9	Very low	37	Very low	122 Å²	122	120.4 Å²	120.4	82%	0.824	77%	0.77	S	S	*	*				56.1	170.4	117.8	-64	0	0	0	0	122.3
219	P	53.3	Low	37.1	Very low	106 Å²	106	120.1 Å²	120.1	69%	0.688	77%	0.768	S	S	*	*			cis	-136	-179.8	-28	30.1	-8.8	0	0	0	114.8
220	S	37	Very low	37.1	Very low	100 Å²	100	125.4 Å²	125.4	70%	0.699	77%	0.771	S	S	*	*			trans	63.5	151.6	139.5	61.6	0	0	0	0	121.6
221	L	38.1	Very low	37.2	Very low	149 Å²	149	124.7 Å²	124.7	78%	0.78	77%	0.767	S	S	*	*			cis	-162.7	173.7	-14.9	-115	172.5	0	0	0	110.5
222	D	33.7	Very low	37.2	Very low	124 Å²	124	125.5 Å²	125.5	66%	0.663	77%	0.768	S	S	*	*			trans	78	99.9	149.5	-81.8	-51.2	0	0	0	123.3
223	S	39.9	Very low	37.2	Very low	102 Å²	102	125 Å²	125	71%	0.713	77%	0.774	S	S	*	*				83	156.7	105.2	-68.3	0	0	0	0	120.5
224	P	56.7	Low	37.1	Very low	112 Å²	112	131 Å²	131	73%	0.727	78%	0.78	S	S	*	*				-131.5	-174.4	-127.2	43.3	-28.9	0	0	0	116
225	L	34.5	Very low	37.5	Very low	150 Å²	150	136.5 Å²	136.5	79%	0.785	79%	0.789	S	S	*	*				169.9	166	125.7	-91.5	169.6	0	0	0	115.2
226	D	33.3	Very low	37.9	Very low	155 Å²	155	136.3 Å²	136.3	83%	0.829	78%	0.784	S	S	*	*			trans	67.4	146	155.8	-59.9	-19.6	0	0	0	123.8
227	G	32.3	Very low	38	Very low	78 Å²	78	144.4 Å²	144.4	80%	0.804	79%	0.792	S	S	*	*			trans	141.1	85.1	160.7	0	0	0	0	0	117.5
228	E	32.8	Very low	37.8	Very low	190 Å²	190	143.6 Å²	143.6	89%	0.888	79%	0.792	S	S	*	*			trans	-75.9	151.3	176.7	-55.6	178.8	106.6	0	0	114.8
229	S	32.5	Very low	37.6	Very low	116 Å²	116	147 Å²	147	81%	0.811	80%	0.796	S	S	*	*				152.3	155.9	126.5	-73.1	0	0	0	0	116.3
230	Y	33.7	Very low	36.7	Very low	230 Å²	230	147.2 Å²	147.2	90%	0.902	80%	0.8	S	S	*	*			trans	-107.7	-169.3	-173.5	-82.3	-79.1	0	0	0	112.4
231	P	55	Low	36.5	Very low	102 Å²	102	152.4 Å²	152.4	66%	0.662	81%	0.805	S	S	*	*				-136.7	-169.7	-99.8	36.5	-12	0	0	0	116
232	K	32.3	Very low	37	Very low	191 Å²	191	151 Å²	151	83%	0.83	81%	0.805	S	S	*	*			trans	116.9	120.9	149.3	-64.9	174.7	-179.5	173	0	118.6
233	S	32.1	Very low	37.1	Very low	115 Å²	115	151 Å²	151	80%	0.804	81%	0.806	S	S	*	*			trans	60.1	114.7	132.3	-166.1	0	0	0	0	121.2
234	R	33.3	Very low	36.7	Very low	240 Å²	240	153 Å²	153	91%	0.906	81%	0.808	S	S	*	*				-165.8	145.1	121.5	-109.1	169.1	-179.2	-177.9	0.6	112.3
235	M	40.6	Very low	35.6	Very low	183 Å²	183	154.9 Å²	154.9	90%	0.901	81%	0.807	S	S	*	*			trans	-112.5	138.5	161.4	-65.2	-174.8	79	0	0	109.8
236	P	44.4	Very low	35.5	Very low	127 Å²	127	155.7 Å²	155.7	83%	0.825	81%	0.806	S	S	*	*			trans	-96.3	-175.1	158.5	35.9	-29	0	0	0	111.5
237	R	32.9	Very low	35.5	Very low	242 Å²	242	154.9 Å²	154.9	91%	0.913	80%	0.798	S	S	*	*			trans	-143.2	129.9	-156.8	167.6	-179.2	168	128.1	0.8	115.5
238	A	31.7	Very low	35.5	Very low	82 Å²	82	159.7 Å²	159.7	68%	0.678	80%	0.797	S	S	*	*			trans	72.6	172.5	150	0	0	0	0	0	121.2
239	Q	30.4	Very low	35.4	Very low	193 Å²	193	155 Å²	155	90%	0.902	79%	0.785	S	S	*	*			trans	80.4	137.7	-175.8	-58.3	-176.7	-9.9	0	0	114.6
240	S	32.7	Very low	35.6	Very low	110 Å²	110	154.4 Å²	154.4	77%	0.769	77%	0.773	S	S	*	*			cis	-161.7	162.3	-6.4	41.4	0	0	0	0	112.3
241	Y	32.9	Very low	35.8	Very low	209 Å²	209	153.3 Å²	153.3	82%	0.82	77%	0.769	S	S	*	*			trans	-66.9	149.2	167	-95	-91.2	0	0	0	111.6
242	P	49.8	Very low	34.7	Very low	120 Å²	120	155.2 Å²	155.2	78%	0.779	77%	0.773	S	S	*	*				-142.7	-174.3	82.7	28.1	-6.4	0	0	0	114.3
243	D	34.4	Very low	34.8	Very low	125 Å²	125	152.5 Å²	152.5	67%	0.668	77%	0.768	S	S	*	*			cis	-170.2	-163.5	-47.3	-142.6	-74.6	0	0	0	109.5
244	N	33.3	Very low	35.6	Very low	142 Å²	142	151.9 Å²	151.9	76%	0.759	76%	0.761	S	S	*	*			trans	72.6	160.3	174.1	-76.7	-13.3	0	0	0	119.1
245	H	33.4	Very low	35.7	Very low	152 Å²	152	146.8 Å²	146.8	70%	0.704	75%	0.751	S	S	*	*			cis	-174.4	168.8	-49.1	-123.4	-84.1	0	0	0	109.4
246	Q	32.4	Very low	35.3	Very low	167 Å²	167	147.9 Å²	147.9	78%	0.78	75%	0.75	S	S	*	*			trans	94.8	145.4	170.1	-55.4	-164	-78.6	0	0	118.7
247	E	32.5	Very low	35	Very low	139 Å²	139	148.2 Å²	148.2	65%	0.65	74%	0.741	S	S	*	*			cis	-174.5	129.4	-35.8	-115.1	164.8	167	0	0	110.9
248	F	33.3	Very low	35.2	Very low	178 Å²	178	145.3 Å²	145.3	78%	0.781	74%	0.735	S	S	*	*			trans	45.4	160.9	146.3	-79.1	-97.1	0	0	0	122.8	D250	F248-D250 VanDerWaalsContact CD1-OD2 3.29Å; F248-D250 WeakPolarHBondContact CD1-OD2 3.46Å
249	S	30.8	Very low	35.2	Very low	93 Å²	93	150.2 Å²	150.2	65%	0.65	74%	0.742	S	S	*	*			cis	-148.4	147.6	15.4	59	0	0	0	0	114.9
250	D	36.1	Very low	35.3	Very low	102 Å²	102	144.3 Å²	144.3	55%	0.545	73%	0.733	S	S	.	*				29.6	153.4	122.6	-45.3	-46.5	0	0	0	121.7	F248	F248-D250 VanDerWaalsContact CD1-OD2 3.29Å; F248-D250 WeakPolarHBondContact CD1-OD2 3.46Å
251	Y	36.6	Very low	35.5	Very low	207 Å²	207	149.7 Å²	149.7	81%	0.812	74%	0.742	S	S	*	*			cis	-130.2	-171.2	21.5	-80.7	-105.1	0	0	0	111
252	D	33.8	Very low	35.5	Very low	143 Å²	143	143.7 Å²	143.7	77%	0.765	74%	0.744	S	S	*	*			cis	-151.9	168	12.8	-171.3	30.6	0	0	0	112.3
253	N	34	Very low	34.6	Very low	133 Å²	133	141.8 Å²	141.8	71%	0.711	75%	0.746	S	S	*	*			trans	-164.9	146.2	179.8	-166.8	-1.1	0	0	0	113.4
254	P	49.3	Very low	34.6	Very low	102 Å²	102	142.6 Å²	142.6	66%	0.662	76%	0.756	S	S	*	*			trans	-145.1	122.5	134.9	31.8	-13.2	0	0	0	119.1
255	I	35.3	Very low	34.8	Very low	134 Å²	134	146.1 Å²	146.1	69%	0.687	76%	0.76	S	S	*	*				68.4	118.2	118.1	-60.6	163.8	0	0	0	120.7
256	F	31.7	Very low	35.8	Very low	205 Å²	205	144 Å²	144	90%	0.899	76%	0.759	S	S	*	*				-157.5	148.7	109.5	-123.7	-82.4	0	0	0	113.1
257	E	37.8	Very low	35.9	Very low	135 Å²	135	147.2 Å²	147.2	63%	0.631	77%	0.765	S	S	*	*			trans	-102.4	157.3	-172.1	-54.2	-179	102.7	0	0	115
258	K	36.2	Very low	35.9	Very low	180 Å²	180	151.7 Å²	151.7	78%	0.783	78%	0.775	S	S	*	*				-178.8	130.5	103.5	-97.1	171.9	178.6	176	0	116
259	F	32.5	Very low	35.8	Very low	186 Å²	186	154 Å²	154	82%	0.816	78%	0.781	S	S	*	*			trans	22.6	137.7	142.5	-65.9	-116.1	0	0	0	120.4
260	G	32.3	Very low	35.6	Very low	69 Å²	69	157.5 Å²	157.5	71%	0.711	79%	0.786	S	S	*	*			cis	158.6	163.7	-3.9	0	0	0	0	0	113.6
261	K	38.1	Very low	35.4	Very low	222 Å²	222	158.2 Å²	158.2	97%	0.965	79%	0.794	S	S	*	*			trans	33.9	130.4	160.3	-53.1	176.3	-175.7	177.7	0	119.2
262	G	31.3	Very low	34.9	Very low	84 Å²	84	153.5 Å²	153.5	87%	0.866	79%	0.791	S	S	*	*			cis	146.2	157.9	7.4	0	0	0	0	0	109.6
263	G	32.6	Very low	34.6	Very low	80 Å²	80	157.1 Å²	157.1	83%	0.825	80%	0.796	S	S	*	*			trans	157.9	120.8	174.6	0	0	0	0	0	118.4
264	T	33.7	Very low	34.6	Very low	141 Å²	141	158.6 Å²	158.6	87%	0.865	80%	0.798	S	S	*	*			trans	-67.5	155	-170.1	-33.3	0	0	0	0	118.2
265	Y	37.3	Very low	33.6	Very low	216 Å²	216	162.4 Å²	162.4	85%	0.847	81%	0.807	S	S	*	*			trans	-70.9	-163.4	161	-58.6	-87.1	0	0	0	111.9
266	P	54.9	Low	33.4	Very low	107 Å²	107	163.5 Å²	163.5	70%	0.695	81%	0.809	S	S	*	*			cis	-146.6	165.5	-1.5	37.5	-15.4	0	0	0	119.6
267	R	33.7	Very low	33.2	Very low	236 Å²	236	161.4 Å²	161.4	89%	0.891	80%	0.802	S	S	*	*				162.1	167.7	117.7	-89.9	-160	-81.3	-146.3	0.6	115
268	R	32.6	Very low	32.9	Very low	232 Å²	232	163.6 Å²	163.6	88%	0.875	81%	0.806	S	S	*	*			trans	-112.5	145.8	-178.6	-47	174.3	-178.8	-158.5	0.6	112
269	Y	32	Very low	32.7	Very low	228 Å²	228	161.8 Å²	161.8	89%	0.894	81%	0.805	S	S	*	*			trans	-153.9	136.8	140.8	-76.4	-75.1	0	0	0	105.8
270	H	26.1	Very low	32.9	Very low	165 Å²	165	160.8 Å²	160.8	76%	0.764	81%	0.808	S	S	*	*			cis	105.9	92.4	29.9	-159.2	-69.5	0	0	0	113.1
271	V	32	Very low	32.8	Very low	118 Å²	118	160 Å²	160	72%	0.715	80%	0.799	S	S	*	*			trans	22.5	126.3	151.2	-171.6	0	0	0	0	119.6
272	S	26.4	Very low	32.7	Very low	107 Å²	107	160 Å²	160	75%	0.748	79%	0.794	S	S	*	*			trans	-166.2	125.1	138	-86.6	0	0	0	0	116.5
273	Y	26.6	Very low	32.8	Very low	219 Å²	219	164.5 Å²	164.5	86%	0.859	79%	0.789	S	S	*	*			trans	66.2	153.8	139	-79.3	-87	0	0	0	125.5
274	H	34.6	Very low	33.1	Very low	165 Å²	165	167 Å²	167	76%	0.764	79%	0.788	S	S	*	*			trans	-88.6	150.2	-177.3	-80.6	-113.5	0	0	0	114
275	H	27.7	Very low	33.2	Very low	181 Å²	181	170 Å²	170	84%	0.838	79%	0.79	S	S	*	*				-151.7	130.6	122.9	-95.9	56.3	0	0	0	104.9
276	Q	31.3	Very low	33.5	Very low	157 Å²	157	166.1 Å²	166.1	73%	0.734	79%	0.791	S	S	*	*			cis	78.3	106.7	41.1	-172.7	171.5	-8.8	0	0	113.6
277	E	28.2	Very low	32.4	Very low	161 Å²	161	172.7 Å²	172.7	75%	0.752	80%	0.802	S	S	*	*				-170.9	150.4	128.7	-103.6	-170.1	168.7	0	0	114.8
278	Y	31.7	Very low	32.4	Very low	181 Å²	181	165.3 Å²	165.3	71%	0.71	79%	0.792	S	S	*	*			trans	29.6	137.4	162	-70.1	-75.2	0	0	0	127.1
279	N	32.3	Very low	32.4	Very low	143 Å²	143	166 Å²	166	77%	0.765	79%	0.794	S	S	*	*			trans	25.8	154.6	133.8	-60.6	2.9	0	0	0	121.6
280	D	35.1	Very low	32.3	Very low	164 Å²	164	166.1 Å²	166.1	88%	0.877	79%	0.793	S	S	*	*			cis	-142.4	168.2	15.9	-164.9	4.8	0	0	0	111.2
281	G	31.3	Very low	32.6	Very low	52 Å²	52	164.3 Å²	164.3	54%	0.536	79%	0.794	S	S	.	*			trans	-114.2	158.7	-167.1	0	0	0	0	0	117.1
282	R	35.7	Very low	32.7	Very low	224 Å²	224	167.1 Å²	167.1	85%	0.845	80%	0.799	S	S	*	*			trans	-168.4	135.6	146.6	-103.3	152.8	-162.8	-131.3	5.4	112.4
283	K	34.1	Very low	32.8	Very low	177 Å²	177	165.4 Å²	165.4	77%	0.77	80%	0.799	S	S	*	*			trans	27.8	129.9	134.5	-46.7	175.7	-176.8	-179.7	0	116.8
284	T	38.1	Very low	33.1	Very low	132 Å²	132	161.2 Å²	161.2	81%	0.81	80%	0.796	S	S	*	*			cis	-161.2	153	40.6	44	0	0	0	0	113.8
285	F	35.4	Very low	32.8	Very low	206 Å²	206	159.3 Å²	159.3	90%	0.904	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-85.7	147.4	162	-72	-88.6	0	0	0	112.6	R287	F285-R287 PolarHBondContact O-N 3.21Å
286	P	43.5	Very low	33	Very low	134 Å²	134	160.6 Å²	160.6	87%	0.87	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-71.2	121.3	169.2	-20	33.8	0	0	0	114.4
287	R	31.6	Very low	33	Very low	245 Å²	245	164.3 Å²	164.3	93%	0.925	81%	0.812	S	S	*	*	P	Polyproline II helix	trans	-96.5	160	155.2	-111.9	-178.4	167.5	179.4	-3.4	107.1	F285	F285-R287 PolarHBondContact O-N 3.21Å
288	A	34.8	Very low	33	Very low	81 Å²	81	161.5 Å²	161.5	67%	0.669	81%	0.81	S	S	*	*			cis	-156.8	178.1	-5.2	0	0	0	0	0	107.1
289	R	32.6	Very low	34.2	Very low	247 Å²	247	158.1 Å²	158.1	93%	0.932	81%	0.81	S	S	*	*				-162	171.5	65.9	-78.9	-171.5	176.3	-158.8	0.4	112.3
290	R	30.1	Very low	34.1	Very low	229 Å²	229	158.4 Å²	158.4	86%	0.864	82%	0.817	S	S	*	*			trans	-98.1	157.6	-178.3	-63.8	166.8	158.7	176.1	-8.4	113.1
291	T	31.9	Very low	33.9	Very low	127 Å²	127	155.3 Å²	155.3	78%	0.779	81%	0.808	S	S	*	*				-154.8	119.3	114	25.6	0	0	0	0	107.5
292	Q	34	Very low	33.8	Very low	177 Å²	177	163.2 Å²	163.2	83%	0.827	83%	0.828	S	S	*	*				50.7	129.5	99.1	-70.1	-174.4	-14.8	0	0	114.3
293	G	28.9	Very low	33.4	Very low	72 Å²	72	157.7 Å²	157.7	74%	0.742	82%	0.824	S	S	*	*			cis	-178.9	-180	-1.3	0	0	0	0	0	108.2
294	T	32.4	Very low	34.1	Very low	130 Å²	130	154.1 Å²	154.1	80%	0.798	82%	0.819	S	S	*	*			cis	-156.9	151.7	1.5	46.4	0	0	0	0	109.1
295	S	27.9	Very low	33.7	Very low	125 Å²	125	153.6 Å²	153.6	87%	0.874	82%	0.816	S	S	*	*			trans	-139.9	142.9	167.5	-69.1	0	0	0	0	111.5
296	F	32.4	Very low	33.4	Very low	209 Å²	209	149.8 Å²	149.8	92%	0.917	81%	0.805	S	S	*	*			trans	-82.5	155.8	-174.7	-80.5	-94.3	0	0	0	113.8
297	R	30.9	Very low	32.9	Very low	234 Å²	234	150.9 Å²	150.9	88%	0.883	80%	0.798	S	S	*	*			trans	-150.1	141.5	173.8	-160	-177.8	-165.5	-90.9	7.4	110.2
298	S	29.2	Very low	32.8	Very low	102 Å²	102	144.2 Å²	144.2	71%	0.713	79%	0.789	S	S	*	*			trans	-120.5	-179.2	170	-54.3	0	0	0	0	108.8
299	P	55.8	Low	32.6	Very low	110 Å²	110	147.8 Å²	147.8	71%	0.714	80%	0.796	S	S	*	*			cis	-123.4	-176.2	-12.8	41.7	-28.1	0	0	0	112.5
300	V	30.8	Very low	32.6	Very low	149 Å²	149	140.5 Å²	140.5	90%	0.903	78%	0.783	S	S	*	*				-172.6	170.7	117.6	-88.1	0	0	0	0	110.8
301	S	31.2	Very low	32.7	Very low	100 Å²	100	135.8 Å²	135.8	70%	0.699	78%	0.78	S	S	*	*			trans	-98.6	155.9	-164.2	53.8	0	0	0	0	116.4
302	F	29.4	Very low	32.8	Very low	217 Å²	217	134.5 Å²	134.5	95%	0.952	78%	0.776	S	S	*	*			trans	-153	160.4	143.9	-89.8	-66.2	0	0	0	111.5
303	S	27.3	Very low	32.7	Very low	109 Å²	109	132.3 Å²	132.3	76%	0.762	78%	0.78	S	S	*	*			trans	-169.6	165.9	-180	-149.5	0	0	0	0	107.8
304	P	47.5	Very low	32.8	Very low	101 Å²	101	132.7 Å²	132.7	66%	0.656	78%	0.784	S	S	*	*			cis	-132.2	-155.5	2.5	36.8	-14.5	0	0	0	114
305	T	29.6	Very low	32.9	Very low	122 Å²	122	132.1 Å²	132.1	75%	0.748	79%	0.786	S	S	*	*			trans	68.6	141.2	169.6	62.2	0	0	0	0	117.7
306	D	30.2	Very low	33.1	Very low	125 Å²	125	131.1 Å²	131.1	67%	0.668	78%	0.779	S	S	*	*			cis	-155.4	173.1	-3.6	-134.4	-50	0	0	0	114.3
307	H	31.6	Very low	33.3	Very low	157 Å²	157	128.2 Å²	128.2	73%	0.727	77%	0.771	S	S	*	*			trans	72.4	116.6	152.8	-65.6	-2.7	0	0	0	123
308	S	30.8	Very low	33.2	Very low	105 Å²	105	126.4 Å²	126.4	73%	0.734	77%	0.77	S	S	*	*				92.6	115.1	127.8	71.7	0	0	0	0	124
309	L	30.2	Very low	33.3	Very low	157 Å²	157	127.2 Å²	127.2	82%	0.822	77%	0.771	S	S	*	*				68	100.4	128.4	-63.3	174.4	0	0	0	123.4
310	S	32.3	Very low	32.9	Very low	94 Å²	94	127.6 Å²	127.6	66%	0.657	77%	0.773	S	S	*	*				47.9	132	123.4	65.1	0	0	0	0	123.2
311	T	31.4	Very low	32.8	Very low	130 Å²	130	130 Å²	130	80%	0.798	78%	0.775	S	S	*	*				-174.8	138.8	101	32.6	0	0	0	0	115.4
312	S	34.5	Very low	32.9	Very low	100 Å²	100	136.2 Å²	136.2	70%	0.699	78%	0.784	S	S	*	*			trans	42	120.5	145.2	65.7	0	0	0	0	125
313	S	33.2	Very low	33.1	Very low	130 Å²	130	133 Å²	133	91%	0.909	78%	0.777	S	S	*	*				71.5	138.9	121.7	-54.5	0	0	0	0	123.2
314	G	29.2	Very low	33.3	Very low	81 Å²	81	132.6 Å²	132.6	84%	0.835	77%	0.767	S	S	*	*			trans	160.6	106.1	159.2	0	0	0	0	0	116.3
315	S	34.6	Very low	32.6	Very low	118 Å²	118	132.5 Å²	132.5	83%	0.825	77%	0.768	S	S	*	*			trans	-91.6	174.6	162.7	63.6	0	0	0	0	110
316	S	33.9	Very low	32.9	Very low	104 Å²	104	136 Å²	136	73%	0.727	77%	0.767	S	S	*	*			cis	-162.5	164.8	14.5	40.7	0	0	0	0	112.4
317	I	34.8	Very low	33	Very low	148 Å²	148	137.1 Å²	137.1	76%	0.759	77%	0.772	S	S	*	*			trans	-17.3	136.3	155.1	-60.4	159.8	0	0	0	116.9
318	F	29.1	Very low	33	Very low	195 Å²	195	141.1 Å²	141.1	86%	0.855	78%	0.781	S	S	*	*				-170.8	163.8	121.4	-117.7	-86.3	0	0	0	113.5
319	T	31.6	Very low	33.3	Very low	120 Å²	120	148.2 Å²	148.2	74%	0.736	79%	0.792	S	S	*	*			trans	-148.5	-178.8	179	56.2	0	0	0	0	110
320	P	48.6	Very low	33.4	Very low	118 Å²	118	153 Å²	153	77%	0.766	80%	0.799	S	S	*	*				-115.2	178.6	-73	39.6	-26.5	0	0	0	112
321	E	28.6	Very low	33.3	Very low	200 Å²	200	152 Å²	152	94%	0.935	80%	0.804	S	S	*	*			trans	-127.2	165.8	171.8	-87.2	-167.6	140.4	0	0	114.9
322	Y	33.2	Very low	33.6	Very low	230 Å²	230	151.4 Å²	151.4	90%	0.902	81%	0.805	S	S	*	*			trans	-97.4	161.4	-167.3	-100.2	-115.6	0	0	0	113.9
323	D	32.5	Very low	33.7	Very low	149 Å²	149	154.1 Å²	154.1	80%	0.797	81%	0.811	S	S	*	*			trans	-153	150.4	134.3	-160.4	3.4	0	0	0	111.8
324	D	32.3	Very low	34.1	Very low	101 Å²	101	155.9 Å²	155.9	54%	0.54	81%	0.809	S	S	.	*			trans	-145.4	119.3	168.3	164.7	38.4	0	0	0	110.1	R326	D324-R326 IonicContact OD2-NE 2.71Å; D324-R326 PolarHBondContact OD2-NE 3.1Å; D324-R326 IonicContact OD2-NH2 3.36Å
325	S	33.3	Very low	34.4	Very low	99 Å²	99	159.1 Å²	159.1	69%	0.692	81%	0.807	S	S	*	*			trans	-158.5	84.2	149.5	38.5	0	0	0	0	116.2
326	R	35.6	Very low	34.3	Very low	194 Å²	194	159.5 Å²	159.5	73%	0.732	80%	0.8	S	S	*	*				56.6	137.7	118.1	-67.6	178.3	-169.4	-161.9	0.8	123.8	D324	D324-R326 IonicContact OD2-NE 2.71Å; D324-R326 PolarHBondContact OD2-NE 3.1Å; D324-R326 IonicContact OD2-NH2 3.36Å
327	I	31.7	Very low	34.5	Very low	149 Å²	149	160 Å²	160	76%	0.764	80%	0.8	S	S	*	*			trans	82.1	110.5	147.2	-62.2	152	0	0	0	118.4
328	R	32	Very low	34.5	Very low	242 Å²	242	157.9 Å²	157.9	91%	0.913	79%	0.794	S	S	*	*				-158	144.8	97.4	-92.6	-174.3	-171.8	-163.5	-0.8	111.4
329	R	36	Very low	34.8	Very low	254 Å²	254	156.2 Å²	156.2	96%	0.958	79%	0.794	S	S	*	*			trans	-102.1	142.2	169.7	-68.4	-177.6	-179.9	177.4	-0.4	109.9
330	R	33.9	Very low	35.1	Very low	257 Å²	257	156 Å²	156	97%	0.97	79%	0.792	S	S	*	*			trans	-150.5	135.2	149.4	-149.1	177.5	-164.9	-168.5	3.4	107.8
331	G	29.9	Very low	34.7	Very low	74 Å²	74	156.9 Å²	156.9	76%	0.763	80%	0.795	S	S	*	*			trans	-115.4	157	-180	0	0	0	0	0	111.6
332	S	36.4	Very low	35.1	Very low	117 Å²	117	154.8 Å²	154.8	82%	0.818	79%	0.787	S	S	*	*			trans	-161.4	118.3	164.2	53	0	0	0	0	107.1
333	D	37.1	Very low	35.2	Very low	157 Å²	157	150.1 Å²	150.1	84%	0.84	78%	0.778	S	S	*	*			trans	-69.8	150.1	179.3	-46.4	-90.9	0	0	0	111.2
334	I	42.1	Very low	35.6	Very low	166 Å²	166	150.2 Å²	150.2	85%	0.851	78%	0.777	S	S	*	*			trans	-166.8	134.9	144.1	-98.7	149.2	0	0	0	109.3
335	D	34.5	Very low	35.9	Very low	150 Å²	150	148.7 Å²	148.7	80%	0.802	77%	0.774	S	S	*	*			trans	-12.5	132.1	-180	-55.4	-48.4	0	0	0	121.8
336	N	32.8	Very low	36.1	Very low	126 Å²	126	149.4 Å²	149.4	67%	0.674	78%	0.777	S	S	*	*			trans	-98.4	120.6	167.1	156.5	70.9	0	0	0	111.1	T338	N336-T338 PolarHBondContact ND2-OG1 3.29Å
337	P	38	Very low	36.4	Very low	114 Å²	114	145.8 Å²	145.8	74%	0.74	78%	0.778	S	S	*	*			trans	-89.3	108.4	155.3	32.3	-26.4	0	0	0	109.3	L339	P337-L339 PolarHBondContact O-N 3.28Å
338	T	35.2	Very low	37.1	Very low	103 Å²	103	141.1 Å²	141.1	63%	0.632	76%	0.759	S	S	*	*			trans	-61.6	94.4	-174.3	-52.1	0	0	0	0	112.6	N336 T340	N336-T338 PolarHBondContact ND2-OG1 3.29Å; T338-T340 PolarHBondContact O-N 2.9Å; T338-T340 VanDerWaalsContact O-N 3.07Å
339	L	36.3	Very low	38.5	Very low	160 Å²	160	141.6 Å²	141.6	84%	0.838	76%	0.761	S	S	*	*			trans	-66.3	104	156.7	-73.5	177.8	0	0	0	107.5	P337 V341	P337-L339 PolarHBondContact O-N 3.28Å; L339-V341 PolarHBondContact O-N 3.45Å
340	T	37.7	Very low	40	Very low	115 Å²	115	131.4 Å²	131.4	71%	0.706	73%	0.728	S	S	*	*			trans	-59.5	104.6	169.3	50.5	0	0	0	0	108.2	T338 M342	T338-T340 PolarHBondContact O-N 2.9Å; T338-T340 VanDerWaalsContact O-N 3.07Å; T340-M342 PolarHBondContact O-N 3Å
341	V	38.7	Very low	42.4	Very low	138 Å²	138	120.6 Å²	120.6	84%	0.836	69%	0.691	S	S	*	*			trans	-56	108	168.8	176.1	0	0	0	0	106.3	L339 D343	L339-V341 PolarHBondContact O-N 3.45Å; V341-D343 PolarHBondContact O-N 3.46Å
342	M	38.5	Very low	45.2	Very low	155 Å²	155	125.4 Å²	125.4	76%	0.764	69%	0.686	S	S	*	*			trans	-57	128.7	168	-71.2	-175.2	174.9	0	0	106.5	T340 I344	T340-M342 PolarHBondContact O-N 3Å; M342-I344 PolarHBondContact O-N 3.23Å
343	D	33.7	Very low	47.9	Very low	133 Å²	133	120.9 Å²	120.9	71%	0.711	66%	0.656	S	S	*	*			trans	-66.3	89.6	175.4	175.3	44.4	0	0	0	108.6	V341 S345	V341-D343 PolarHBondContact O-N 3.46Å; D343-S345 PolarHBondContact O-N 3.42Å; D343-S345 PolarHBondContact O-OG 2.82Å; D343-S345 PolarHBondContact OD1-N 3.12Å; D343-S345 WeakPolarHBondContact OD2-CB 3.46Å; D343-S345 PolarHBondContact OD2-OG 3.07Å
344	I	41.6	Very low	50.5	Low	150 Å²	150	113.7 Å²	113.7	77%	0.769	62%	0.618	S	S	*	*			trans	-76.7	59.3	169.1	-47.2	179.8	0	0	0	107.6	M342	M342-I344 PolarHBondContact O-N 3.23Å
345	S	38	Very low	52.9	Low	69 Å²	69	111.5 Å²	111.5	48%	0.483	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-54.8	131.3	155.8	37.3	0	0	0	0	107.2	D343	D343-S345 PolarHBondContact O-N 3.42Å; D343-S345 PolarHBondContact O-OG 2.82Å; D343-S345 PolarHBondContact OD1-N 3.12Å; D343-S345 WeakPolarHBondContact OD2-CB 3.46Å; D343-S345 PolarHBondContact OD2-OG 3.07Å
346	P	39.3	Very low	55.8	Low	115 Å²	115	108 Å²	108	75%	0.747	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-59	136.6	-169.9	22.7	-33.6	0	0	0	109.9	S348	P346-S348 PolarHBondContact O-N 2.92Å
347	P	42.1	Very low	58.8	Low	117 Å²	117	105.3 Å²	105.3	76%	0.76	57%	0.574	S	S	*	*	P	Polyproline II helix	trans	-55.6	117.8	-167.8	20.1	-32.7	0	0	0	110.6	R349	P347-R349 PolarHBondContact O-N 2.82Å; P347-R349 VanDerWaalsContact O-N 3.07Å
348	S	45.3	Very low	61.6	Low	51 Å²	51	108.1 Å²	108.1	36%	0.357	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-53.9	117	-179	59.1	0	0	0	0	109.2	P346 S350 R352	P346-S348 PolarHBondContact O-N 2.92Å; S348-S350 PolarHBondContact O-N 3.41Å; S348-R352 PolarHBondContact OG-NE 2.82Å; S348-R352 PolarHBondContact OG-NH2 3.47Å
349	R	60.8	Low	64.6	Low	253 Å²	253	107.3 Å²	107.3	96%	0.955	56%	0.561	S	S	*	*	S	Bend	trans	-61.7	-11.5	-174.6	-69.5	-174.6	176.9	-173.6	-0.4	114.5	P347	P347-R349 PolarHBondContact O-N 2.82Å; P347-R349 VanDerWaalsContact O-N 3.07Å
350	S	68.3	Low	67.5	Low	39 Å²	39	101.3 Å²	101.3	27%	0.273	54%	0.539	S	S	.	.	S	Bend	trans	-79.8	136.1	174.1	46.2	0	0	0	0	111.7	S348 N413	S348-S350 PolarHBondContact O-N 3.41Å; S350-N413 VanDerWaalsContact CB-OD1 3.32Å; S350-N413 WeakPolarHBondContact CB-OD1 3.45Å
351	P	84.1	Confident	70.3	Confident	31 Å²	31	101.9 Å²	101.9	20%	0.201	53%	0.531	C	S	.	.			trans	-61.6	160.1	174.2	25	-32.7	0	0	0	112.2	K412 Q421 Y422 Y423	P351-K412 WeakPolarHBondContact CD-O 3.45Å; P351-K412 WeakPolarHBondContact CG-O 3.48Å; P351-Q421 HydrophobicContact CG-CG 4.2Å; P351-Y422 WeakPolarHBondContact CG-O 3.29Å; P351-Y423 HydrophobicContact CB-CD1 3.47Å; P351-Y423 VanDerWaalsContact CB-CD1 3.47Å; P351-Y423 HydrophobicContact CB-CE1 3.55Å; P351-Y423 HydrophobicContact CB-CG 4.32Å; P351-Y423 HydrophobicContact CG-CD1 4.48Å; P351-Y423 HydrophobicContact CG-CE1 4.46Å
352	R	89.1	Confident	73	Confident	174 Å²	174	99.5 Å²	99.5	66%	0.657	51%	0.513	S	S	*	.			trans	-129.3	151.3	179.2	-58.5	-175.4	-178.1	-164.6	2	109.6	S348 Y423	S348-R352 PolarHBondContact OG-NE 2.82Å; S348-R352 PolarHBondContact OG-NH2 3.47Å; R352-Y423 CarbonylContact C-O 3.48Å; R352-Y423 VanDerWaalsContact CA-O 3.23Å; R352-Y423 WeakPolarHBondContact CA-O 3.49Å
353	A	91.9	Very high	75.7	Confident	22 Å²	22	95.3 Å²	95.3	18%	0.182	49%	0.494	C	S	.	.			trans	-64.9	144.9	169.9	0	0	0	0	0	109.9	Y423 L426 F437	A353-Y423 PolarHBondContact N-O 2.75Å; A353-L426 HydrophobicContact CB-CG 4.28Å; A353-F437 HydrophobicContact CB-CD2 3.75Å; A353-F437 HydrophobicContact CB-CE2 4.31Å; A353-F437 HydrophobicContact CB-CG 4.31Å
354	P	93.6	Very high	78.3	Confident	6 Å²	6	90.5 Å²	90.5	4%	0.039	48%	0.475	C	S	.	.			trans	-69.8	136.2	179.8	32.1	-37	0	0	0	110.4	W357 D376 L383 F437	P354-W357 HydrophobicContact CB-CB 4.08Å; P354-W357 HydrophobicContact CG-CB 3.89Å; P354-W357 HydrophobicContact CG-CG 4.18Å; P354-D376 HydrophobicContact CB-CB 3.95Å; P354-L383 HydrophobicContact CG-CD1 4.01Å; P354-F437 HydrophobicContact CG-CD1 3.64Å; P354-F437 HydrophobicContact CG-CE1 3.75Å; P354-F437 HydrophobicContact CG-CG 4.21Å; P354-F437 HydrophobicContact CG-CZ 4.43Å
355	T	92.4	Very high	80.4	Confident	120 Å²	120	89.6 Å²	89.6	74%	0.736	47%	0.468	S	S	*	.	S	Bend	trans	-81.4	-41.9	176.9	28.6	0	0	0	0	112.3	D378	T355-D378 PolarHBondContact OG1-OD2 2.78Å
356	N	94.6	Very high	82.2	Confident	78 Å²	78	88.7 Å²	88.7	42%	0.417	47%	0.469	S	S	.	.	S	Bend	trans	-112.4	100.1	-178.9	-179	14.1	0	0	0	108.2	V377 D378	N356-V377 HydrophobicContact CB-CB 4.36Å; N356-V377 WeakPolarHBondContact ND2-CG1 3.48Å; N356-V377 WeakPolarHBondContact O-CB 3.28Å; N356-V377 PolarHBondContact O-N 3.21Å; N356-D378 VanDerWaalsContact CB-CG 3.47Å; N356-D378 WeakPolarHBondContact CB-OD1 3.27Å; N356-D378 VanDerWaalsContact CB-OD2 3.23Å; N356-D378 WeakPolarHBondContact CB-OD2 3.34Å; N356-D378 PolarHBondContact N-OD2 2.86Å; N356-D378 PolarHBondContact ND2-OD1 2.78Å
357	W	96.4	Very high	83.6	Confident	69 Å²	69	86.4 Å²	86.4	26%	0.261	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	156.4	-172	66.1	-84.5	0	0	0	112	P354 L359 Y375 V385 F437	P354-W357 HydrophobicContact CB-CB 4.08Å; P354-W357 HydrophobicContact CG-CB 3.89Å; P354-W357 HydrophobicContact CG-CG 4.18Å; W357-L359 HydrophobicContact CZ3-CB 4.01Å; W357-L359 HydrophobicContact CZ3-CD1 3.92Å; W357-Y375 CarbonylContact C-O 3.39Å; W357-Y375 VanDerWaalsContact CA-O 3.29Å; W357-Y375 WeakPolarHBondContact CA-O 3.43Å; W357-V385 HydrophobicContact CZ3-CG1 4.25Å; W357-F437 AromaticContact CD2-CE1 3.76Å; W357-F437 HydrophobicContact CD2-CE1 3.76Å; W357-F437 AromaticContact CD2-CZ 3.93Å; W357-F437 HydrophobicContact CD2-CZ 3.93Å; W357-F437 AromaticContact CE2-CE1 3.93Å; W357-F437 AromaticContact CE2-CZ 3.58Å; W357-F437 HydrophobicContact CE3-CE1 4.06Å; W357-F437 HydrophobicContact CE3-CZ 4.48Å; W357-F437 HydrophobicContact CG-CE1 4.05Å; W357-F437 HydrophobicContact CG-CZ 4.3Å; W357-F437 HydrophobicContact CH2-CZ 4.44Å; W357-F437 HydrophobicContact CZ2-CE1 4.39Å; W357-F437 AromaticContact CZ2-CZ 3.88Å; W357-F437 HydrophobicContact CZ2-CZ 3.88Å; W357-F437 HydrophobicContact CZ3-CE1 4.49Å; W357-F437 AromaticContact NE1-CZ 3.73Å
358	R	96.9	Very high	85.3	Confident	173 Å²	173	82.5 Å²	82.5	65%	0.653	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.1	126.6	-178.2	-63.5	175.3	67.7	-176.4	1.3	110	Y375 V377	R358-Y375 PolarHBondContact N-O 2.9Å; R358-Y375 PolarHBondContact O-N 3.35Å; R358-V377 HydrophobicContact CG-CG2 3.79Å
359	L	96.9	Very high	87.2	Confident	85 Å²	85	81.1 Å²	81.1	45%	0.445	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	133.6	173.4	-166.2	71.2	0	0	0	110.1	W357 Y372 V385	W357-L359 HydrophobicContact CZ3-CB 4.01Å; W357-L359 HydrophobicContact CZ3-CD1 3.92Å; L359-Y372 HydrophobicContact CD1-CD1 4.17Å; L359-Y372 HydrophobicContact CD1-CD2 3.98Å; L359-Y372 HydrophobicContact CD1-CG 3.68Å; L359-Y372 HydrophobicContact CD2-CD1 4.38Å; L359-Y372 HydrophobicContact CD2-CE1 4.45Å; L359-Y372 HydrophobicContact CG-CD1 4.26Å; L359-Y372 HydrophobicContact CG-CG 4.28Å; L359-V385 HydrophobicContact CD1-CG1 3.69Å
360	G	96.9	Very high	88.7	Confident	35 Å²	35	73.9 Å²	73.9	36%	0.361	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-155.8	178.6	0	0	0	0	0	113	L373	G360-L373 WeakPolarHBondContact CA-O 3.27Å; G360-L373 PolarHBondContact N-O 3.44Å
361	K	96.7	Very high	89.9	Confident	127 Å²	127	73.8 Å²	73.8	55%	0.552	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-59.2	147.6	179.9	69.2	-173.5	-177.3	-167.7	0	112.3	L363 Y372 L373	K361-L363 HydrophobicContact CG-CD2 4.26Å; K361-L363 PolarHBondContact O-N 2.74Å; K361-Y372 CarbonylContact O-C 3.59Å; K361-Y372 WeakPolarHBondContact O-CA 3.21Å; K361-L373 HydrophobicContact CD-CD2 4.48Å; K361-L373 HydrophobicContact CG-CB 3.99Å; K361-L373 HydrophobicContact CG-CD2 4.22Å; K361-L373 PolarHBondContact O-N 3.21Å
362	L	96.6	Very high	90.6	Very high	87 Å²	87	74.3 Å²	74.3	46%	0.455	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	132.7	165.9	-172.4	72.6	0	0	0	109.4	G364 R370 V371 Y372	L362-G364 WeakPolarHBondContact CD1-O 3.29Å; L362-R370 HydrophobicContact CD1-CB 3.92Å; L362-R370 HydrophobicContact CD1-CG 4.29Å; L362-V371 WeakPolarHBondContact CD1-O 3.48Å; L362-Y372 HydrophobicContact CB-CD1 4.11Å; L362-Y372 HydrophobicContact CB-CE1 4.13Å; L362-Y372 HydrophobicContact CD1-CD1 3.94Å; L362-Y372 HydrophobicContact CD1-CD2 4.37Å; L362-Y372 HydrophobicContact CD1-CE1 3.66Å; L362-Y372 HydrophobicContact CD1-CE2 4.13Å; L362-Y372 HydrophobicContact CD1-CG 4.27Å
363	L	93.6	Very high	91	Very high	68 Å²	68	67 Å²	67	36%	0.356	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-34	174.1	-63.4	175.5	0	0	0	111.5	K361 V371 L373 A384 Y440	K361-L363 HydrophobicContact CG-CD2 4.26Å; K361-L363 PolarHBondContact O-N 2.74Å; L363-V371 WeakPolarHBondContact CA-O 3.46Å; L363-V371 HydrophobicContact CB-CG1 4.42Å; L363-V371 WeakPolarHBondContact CB-O 3.41Å; L363-V371 HydrophobicContact CD1-CG1 4.45Å; L363-V371 PolarHBondContact N-O 2.89Å; L363-L373 HydrophobicContact CD1-CB 4.27Å; L363-L373 HydrophobicContact CD2-CB 4.33Å; L363-L373 HydrophobicContact CG-CB 4.28Å; L363-A384 HydrophobicContact CD1-CB 4.24Å; L363-Y440 HydrophobicContact CD1-CD2 3.75Å; L363-Y440 HydrophobicContact CD1-CE2 3.59Å; L363-Y440 HydrophobicContact CD2-CE2 3.82Å; L363-Y440 HydrophobicContact CG-CE2 4.37Å
364	G	88.7	Confident	91.2	Very high	31 Å²	31	65.9 Å²	65.9	32%	0.32	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.4	163.5	176.3	0	0	0	0	0	113.2	L362 V371	L362-G364 WeakPolarHBondContact CD1-O 3.29Å; G364-V371 PolarHBondContact N-O 3.42Å; G364-V371 VanDerWaalsContact N-O 3.09Å; G364-V371 PolarHBondContact O-N 3.07Å
365	Q	87	Confident	91.4	Very high	132 Å²	132	70.7 Å²	70.7	62%	0.617	38%	0.377	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-134.9	140.1	174.4	176.9	172.8	-45	0	0	109.1	R370	Q365-R370 HydrophobicContact CB-CG 4.18Å; Q365-R370 HydrophobicContact CG-CG 3.87Å
366	G	74.8	Confident	91.6	Very high	50 Å²	50	65.7 Å²	65.7	52%	0.515	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	-171.7	176.4	0	0	0	0	0	112	F368 G369	G366-F368 PolarHBondContact O-N 3.01Å; G366-F368 VanDerWaalsContact O-N 3.15Å; G366-G369 PolarHBondContact N-O 3.23Å; G366-G369 PolarHBondContact O-N 3.46Å
367	A	69.7	Low	91.6	Very high	66 Å²	66	64.6 Å²	64.6	55%	0.545	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.6	178.5	0	0	0	0	0	113.6
368	F	76.1	Confident	91.5	Very high	35 Å²	35	65.8 Å²	65.8	15%	0.154	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.3	33.6	-176.5	-50.5	-40	0	0	0	112.7	G366 K386 L509 Q510	G366-F368 PolarHBondContact O-N 3.01Å; G366-F368 VanDerWaalsContact O-N 3.15Å; F368-K386 WeakPolarHBondContact O-CE 3.42Å; F368-L509 HydrophobicContact CB-CB 4.1Å; F368-L509 HydrophobicContact CB-CD1 4.48Å; F368-L509 HydrophobicContact CD1-CB 4.33Å; F368-L509 HydrophobicContact CG-CB 4.17Å; F368-Q510 HydrophobicContact CD1-CB 4.38Å; F368-Q510 HydrophobicContact CE1-CB 3.62Å; F368-Q510 HydrophobicContact CE1-CG 3.97Å; F368-Q510 HydrophobicContact CZ-CB 4.17Å
369	G	85.4	Confident	91.3	Very high	22 Å²	22	62.1 Å²	62.1	23%	0.227	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	95.8	-159.3	179	0	0	0	0	0	115	G366 Q387	G366-G369 PolarHBondContact N-O 3.23Å; G366-G369 PolarHBondContact O-N 3.46Å; G369-Q387 WeakPolarHBondContact CA-O 3.4Å
370	R	92.1	Very high	91.2	Very high	102 Å²	102	60 Å²	60	39%	0.385	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	139.2	-174.4	-68.5	-179.2	-176.6	123	1.6	110.7	L362 Q365 Y372 K386 Q387	L362-R370 HydrophobicContact CD1-CB 3.92Å; L362-R370 HydrophobicContact CD1-CG 4.29Å; Q365-R370 HydrophobicContact CB-CG 4.18Å; Q365-R370 HydrophobicContact CG-CG 3.87Å; R370-Y372 HydrophobicContact CB-CD2 4.19Å; R370-Y372 HydrophobicContact CB-CE2 3.44Å; R370-Y372 VanDerWaalsContact CB-CE2 3.44Å; R370-Y372 WeakPolarHBondContact CD-OH 3.44Å; R370-Y372 HydrophobicContact CG-CE2 4.48Å; R370-K386 CarbonylContact O-C 3.34Å; R370-K386 WeakPolarHBondContact O-CA 3.36Å; R370-Q387 PolarHBondContact N-O 3.23Å; R370-Q387 PolarHBondContact O-N 3.39Å
371	V	95.1	Very high	91	Very high	36 Å²	36	62.5 Å²	62.5	22%	0.218	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.1	176.3	-172.8	0	0	0	0	108.6	L362 L363 G364 A384 V385 K386	L362-V371 WeakPolarHBondContact CD1-O 3.48Å; L363-V371 WeakPolarHBondContact CA-O 3.46Å; L363-V371 HydrophobicContact CB-CG1 4.42Å; L363-V371 WeakPolarHBondContact CB-O 3.41Å; L363-V371 HydrophobicContact CD1-CG1 4.45Å; L363-V371 PolarHBondContact N-O 2.89Å; G364-V371 PolarHBondContact N-O 3.42Å; G364-V371 VanDerWaalsContact N-O 3.09Å; G364-V371 PolarHBondContact O-N 3.07Å; V371-A384 HydrophobicContact CG1-CB 4.21Å; V371-V385 WeakPolarHBondContact CA-O 3.26Å; V371-K386 HydrophobicContact CG2-CB 4.09Å; V371-K386 HydrophobicContact CG2-CD 4.12Å; V371-K386 HydrophobicContact CG2-CG 3.95Å
372	Y	97.2	Very high	91	Very high	42 Å²	42	61.3 Å²	61.3	17%	0.165	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	158.3	179	-61.2	-99.2	0	0	0	110.7	L359 K361 L362 R370 A384 V385 Q387	L359-Y372 HydrophobicContact CD1-CD1 4.17Å; L359-Y372 HydrophobicContact CD1-CD2 3.98Å; L359-Y372 HydrophobicContact CD1-CG 3.68Å; L359-Y372 HydrophobicContact CD2-CD1 4.38Å; L359-Y372 HydrophobicContact CD2-CE1 4.45Å; L359-Y372 HydrophobicContact CG-CD1 4.26Å; L359-Y372 HydrophobicContact CG-CG 4.28Å; K361-Y372 CarbonylContact O-C 3.59Å; K361-Y372 WeakPolarHBondContact O-CA 3.21Å; L362-Y372 HydrophobicContact CB-CD1 4.11Å; L362-Y372 HydrophobicContact CB-CE1 4.13Å; L362-Y372 HydrophobicContact CD1-CD1 3.94Å; L362-Y372 HydrophobicContact CD1-CD2 4.37Å; L362-Y372 HydrophobicContact CD1-CE1 3.66Å; L362-Y372 HydrophobicContact CD1-CE2 4.13Å; L362-Y372 HydrophobicContact CD1-CG 4.27Å; R370-Y372 HydrophobicContact CB-CD2 4.19Å; R370-Y372 HydrophobicContact CB-CE2 3.44Å; R370-Y372 VanDerWaalsContact CB-CE2 3.44Å; R370-Y372 WeakPolarHBondContact CD-OH 3.44Å; R370-Y372 HydrophobicContact CG-CE2 4.48Å; Y372-A384 CarbonylContact O-C 3.46Å; Y372-A384 WeakPolarHBondContact O-CA 3.39Å; Y372-V385 PolarHBondContact N-O 2.9Å; Y372-V385 PolarHBondContact O-N 2.89Å; Y372-Q387 HydrophobicContact CD2-CG 4.35Å; Y372-Q387 HydrophobicContact CE2-CB 4.4Å; Y372-Q387 HydrophobicContact CE2-CG 4.47Å; Y372-Q387 VanDerWaalsContact CE2-OE1 3.27Å
373	L	97.7	Very high	91.1	Very high	20 Å²	20	57.3 Å²	57.3	11%	0.105	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	145.4	160.2	-172.2	66.6	0	0	0	108.4	G360 K361 L363 E382 Y440	G360-L373 WeakPolarHBondContact CA-O 3.27Å; G360-L373 PolarHBondContact N-O 3.44Å; K361-L373 HydrophobicContact CD-CD2 4.48Å; K361-L373 HydrophobicContact CG-CB 3.99Å; K361-L373 HydrophobicContact CG-CD2 4.22Å; K361-L373 PolarHBondContact O-N 3.21Å; L363-L373 HydrophobicContact CD1-CB 4.27Å; L363-L373 HydrophobicContact CD2-CB 4.33Å; L363-L373 HydrophobicContact CG-CB 4.28Å; L373-E382 HydrophobicContact CD1-CB 4.15Å; L373-E382 HydrophobicContact CD1-CG 4.39Å; L373-Y440 HydrophobicContact CD1-CD1 3.57Å; L373-Y440 HydrophobicContact CD1-CD2 4.06Å; L373-Y440 HydrophobicContact CD1-CE1 3.61Å; L373-Y440 HydrophobicContact CD1-CE2 4.14Å; L373-Y440 HydrophobicContact CD1-CG 3.82Å
374	C	97.2	Very high	91.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	133.1	178.7	172.9	0	0	0	0	108.2	E382 L383 V385	C374-E382 WeakPolarHBondContact O-CA 3.44Å; C374-L383 HydrophobicContact CB-CB 4.16Å; C374-L383 PolarHBondContact N-O 3.21Å; C374-L383 PolarHBondContact O-N 3.43Å; C374-V385 HydrophobicContact CB-CB 3.99Å; C374-V385 HydrophobicContact CB-CG1 3.83Å
375	Y	97.3	Very high	91.6	Very high	107 Å²	107	52.9 Å²	52.9	42%	0.42	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	113.3	171.5	-178.2	-94.2	0	0	0	109.2	W357 R358 V377 G380	W357-Y375 CarbonylContact C-O 3.39Å; W357-Y375 VanDerWaalsContact CA-O 3.29Å; W357-Y375 WeakPolarHBondContact CA-O 3.43Å; R358-Y375 PolarHBondContact N-O 2.9Å; R358-Y375 PolarHBondContact O-N 3.35Å; Y375-V377 HydrophobicContact CD1-CG2 3.92Å; Y375-V377 HydrophobicContact CE1-CB 4.46Å; Y375-V377 HydrophobicContact CE1-CG2 4.16Å; Y375-V377 PolarHBondContact O-N 3.32Å; Y375-G380 WeakPolarHBondContact OH-CA 3.43Å
376	D	96.6	Very high	92	Very high	14 Å²	14	46.9 Å²	46.9	8%	0.075	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	115.9	168.7	176.8	-10.2	0	0	0	108.5	P354 D378 T379 G380 R381 L383	P354-D376 HydrophobicContact CB-CB 3.95Å; D376-D378 PolarHBondContact OD1-N 2.93Å; D376-T379 PolarHBondContact OD1-N 2.93Å; D376-T379 WeakPolarHBondContact OD2-CB 3.37Å; D376-T379 VanDerWaalsContact OD2-CG2 3.31Å; D376-T379 WeakPolarHBondContact OD2-CG2 3.28Å; D376-T379 PolarHBondContact OD2-OG1 2.85Å; D376-G380 CarbonylContact O-C 3.6Å; D376-G380 WeakPolarHBondContact O-CA 3.35Å; D376-G380 PolarHBondContact O-N 2.83Å; D376-R381 PolarHBondContact N-O 3.01Å; D376-R381 PolarHBondContact O-N 3.32Å; D376-L383 HydrophobicContact CB-CD1 4.26Å
377	V	95.8	Very high	93	Very high	56 Å²	56	46.5 Å²	46.5	34%	0.339	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-28.6	-176.4	-178.1	0	0	0	0	111.4	N356 R358 Y375	N356-V377 HydrophobicContact CB-CB 4.36Å; N356-V377 WeakPolarHBondContact ND2-CG1 3.48Å; N356-V377 WeakPolarHBondContact O-CB 3.28Å; N356-V377 PolarHBondContact O-N 3.21Å; R358-V377 HydrophobicContact CG-CG2 3.79Å; Y375-V377 HydrophobicContact CD1-CG2 3.92Å; Y375-V377 HydrophobicContact CE1-CB 4.46Å; Y375-V377 HydrophobicContact CE1-CG2 4.16Å; Y375-V377 PolarHBondContact O-N 3.32Å
378	D	93.9	Very high	94	Very high	93 Å²	93	43.4 Å²	43.4	50%	0.497	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-33.6	-177.4	-61	-29.4	0	0	0	111.3	T355 N356 D376	T355-D378 PolarHBondContact OG1-OD2 2.78Å; N356-D378 VanDerWaalsContact CB-CG 3.47Å; N356-D378 WeakPolarHBondContact CB-OD1 3.27Å; N356-D378 VanDerWaalsContact CB-OD2 3.23Å; N356-D378 WeakPolarHBondContact CB-OD2 3.34Å; N356-D378 PolarHBondContact N-OD2 2.86Å; N356-D378 PolarHBondContact ND2-OD1 2.78Å; D376-D378 PolarHBondContact OD1-N 2.93Å
379	T	93.2	Very high	94.6	Very high	96 Å²	96	48.4 Å²	48.4	59%	0.589	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-106	-8.9	177.1	73.5	0	0	0	0	115	D376 R381	D376-T379 PolarHBondContact OD1-N 2.93Å; D376-T379 WeakPolarHBondContact OD2-CB 3.37Å; D376-T379 VanDerWaalsContact OD2-CG2 3.31Å; D376-T379 WeakPolarHBondContact OD2-CG2 3.28Å; D376-T379 PolarHBondContact OD2-OG1 2.85Å; T379-R381 VanDerWaalsContact C-N 3.29Å; T379-R381 PolarHBondContact O-N 3.41Å; T379-R381 WeakPolarHBondContact OG1-CB 3.5Å
380	G	93.2	Very high	94.6	Very high	41 Å²	41	47.9 Å²	47.9	42%	0.423	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	20	-177.6	0	0	0	0	0	114.6	Y375 D376	Y375-G380 WeakPolarHBondContact OH-CA 3.43Å; D376-G380 CarbonylContact O-C 3.6Å; D376-G380 WeakPolarHBondContact O-CA 3.35Å; D376-G380 PolarHBondContact O-N 2.83Å
381	R	93.9	Very high	94.3	Very high	88 Å²	88	45.9 Å²	45.9	33%	0.332	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141.8	-168.6	177.8	172.8	175.4	-168.4	-1.4	113.4	D376 T379 L383 Y423	D376-R381 PolarHBondContact N-O 3.01Å; D376-R381 PolarHBondContact O-N 3.32Å; T379-R381 VanDerWaalsContact C-N 3.29Å; T379-R381 PolarHBondContact O-N 3.41Å; T379-R381 WeakPolarHBondContact OG1-CB 3.5Å; R381-L383 HydrophobicContact CG-CD2 4.25Å; R381-L383 HydrophobicContact CG-CG 4.45Å; R381-Y423 VanDerWaalsContact NH1-CZ 3.28Å; R381-Y423 PolarHBondContact NH1-OH 3.34Å; R381-Y423 PolarHBondContact NH2-OH 3.34Å
382	E	96.9	Very high	93.7	Very high	101 Å²	101	45.5 Å²	45.5	47%	0.472	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.6	163.8	-65.1	-167.9	141.3	0	0	112.5	L373 C374 Y440	L373-E382 HydrophobicContact CD1-CB 4.15Å; L373-E382 HydrophobicContact CD1-CG 4.39Å; C374-E382 WeakPolarHBondContact O-CA 3.44Å; E382-Y440 HydrophobicContact CB-CD1 3.99Å
383	L	97.3	Very high	93.2	Very high	3 Å²	3	49.3 Å²	49.3	2%	0.016	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	166.1	175.8	-63.9	176.6	0	0	0	109.3	P354 C374 D376 R381 Y423	P354-L383 HydrophobicContact CG-CD1 4.01Å; C374-L383 HydrophobicContact CB-CB 4.16Å; C374-L383 PolarHBondContact N-O 3.21Å; C374-L383 PolarHBondContact O-N 3.43Å; D376-L383 HydrophobicContact CB-CD1 4.26Å; R381-L383 HydrophobicContact CG-CD2 4.25Å; R381-L383 HydrophobicContact CG-CG 4.45Å; L383-Y423 HydrophobicContact CD2-CD2 3.94Å; L383-Y423 HydrophobicContact CD2-CE2 3.9Å; L383-Y423 HydrophobicContact CD2-CG 4.44Å
384	A	97.3	Very high	92.6	Very high	6 Å²	6	49.5 Å²	49.5	5%	0.05	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	139.5	164.5	0	0	0	0	0	109.4	L363 V371 Y372 M438	L363-A384 HydrophobicContact CD1-CB 4.24Å; V371-A384 HydrophobicContact CG1-CB 4.21Å; Y372-A384 CarbonylContact O-C 3.46Å; Y372-A384 WeakPolarHBondContact O-CA 3.39Å; A384-M438 HydrophobicContact CB-CG 3.78Å; A384-M438 PolarHBondContact N-O 2.85Å; A384-M438 PolarHBondContact O-N 3.09Å
385	V	96.9	Very high	92	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.6	173.8	65.6	0	0	0	0	110	W357 L359 V371 Y372 C374 Q387 I436 F437	W357-V385 HydrophobicContact CZ3-CG1 4.25Å; L359-V385 HydrophobicContact CD1-CG1 3.69Å; V371-V385 WeakPolarHBondContact CA-O 3.26Å; Y372-V385 PolarHBondContact N-O 2.9Å; Y372-V385 PolarHBondContact O-N 2.89Å; C374-V385 HydrophobicContact CB-CB 3.99Å; C374-V385 HydrophobicContact CB-CG1 3.83Å; V385-Q387 HydrophobicContact CG2-CG 4.34Å; V385-I436 CarbonylContact C-O 3.58Å; V385-I436 WeakPolarHBondContact CA-O 3.42Å; V385-F437 HydrophobicContact CB-CD1 4.01Å; V385-F437 HydrophobicContact CB-CE1 4Å; V385-F437 HydrophobicContact CG2-CD1 3.86Å; V385-F437 HydrophobicContact CG2-CE1 3.59Å; V385-F437 HydrophobicContact CG2-CE2 4.37Å; V385-F437 HydrophobicContact CG2-CG 4.38Å; V385-F437 HydrophobicContact CG2-CZ 3.86Å
386	K	95.1	Very high	91.3	Very high	7 Å²	7	54.3 Å²	54.3	3%	0.03	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	110.3	175.5	-178.4	167.2	179.5	175.9	0	108.8	F368 R370 V371 V388 I436 M438 D502	F368-K386 WeakPolarHBondContact O-CE 3.42Å; R370-K386 CarbonylContact O-C 3.34Å; R370-K386 WeakPolarHBondContact O-CA 3.36Å; V371-K386 HydrophobicContact CG2-CB 4.09Å; V371-K386 HydrophobicContact CG2-CD 4.12Å; V371-K386 HydrophobicContact CG2-CG 3.95Å; K386-V388 HydrophobicContact CG-CG2 4.37Å; K386-I436 HydrophobicContact CB-CB 4.36Å; K386-I436 PolarHBondContact N-O 3.31Å; K386-I436 PolarHBondContact O-N 3.14Å; K386-M438 HydrophobicContact CB-CE 3.67Å; K386-M438 HydrophobicContact CD-CE 4.28Å; K386-D502 IonicContact NZ-OD1 3.95Å; K386-D502 PolarHBondContact NZ-OD1 2.87Å; K386-D502 IonicContact NZ-OD2 3.49Å; K386-D502 PolarHBondContact NZ-OD2 3.29Å
387	Q	94.6	Very high	90.7	Very high	41 Å²	41	53.9 Å²	53.9	19%	0.192	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	126.7	179.8	-67.8	-168.9	-46.1	0	0	110.5	G369 R370 Y372 V385 T433 L434 S435	G369-Q387 WeakPolarHBondContact CA-O 3.4Å; R370-Q387 PolarHBondContact N-O 3.23Å; R370-Q387 PolarHBondContact O-N 3.39Å; Y372-Q387 HydrophobicContact CD2-CG 4.35Å; Y372-Q387 HydrophobicContact CE2-CB 4.4Å; Y372-Q387 HydrophobicContact CE2-CG 4.47Å; Y372-Q387 VanDerWaalsContact CE2-OE1 3.27Å; V385-Q387 HydrophobicContact CG2-CG 4.34Å; Q387-T433 HydrophobicContact CB-CG2 3.88Å; Q387-T433 HydrophobicContact CG-CG2 4.13Å; Q387-L434 WeakPolarHBondContact CA-O 3.4Å; Q387-S435 PolarHBondContact NE2-OG 3.45Å
388	V	90.8	Very high	90.2	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.006	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	117.4	-175.1	-170.3	0	0	0	0	107.6	K386 T433 L434 I436 L509 I512	K386-V388 HydrophobicContact CG-CG2 4.37Å; V388-T433 WeakPolarHBondContact O-CA 3.19Å; V388-L434 HydrophobicContact CB-CB 4.44Å; V388-L434 PolarHBondContact N-O 3.38Å; V388-L434 PolarHBondContact O-N 3.25Å; V388-I436 HydrophobicContact CG2-CD1 4.16Å; V388-L509 HydrophobicContact CB-CD2 4.4Å; V388-L509 HydrophobicContact CG1-CD2 4.06Å; V388-L509 HydrophobicContact CG2-CD2 3.57Å; V388-I512 HydrophobicContact CG1-CG2 4.18Å
389	Q	89.2	Confident	89.8	Confident	141 Å²	141	53.9 Å²	53.9	66%	0.659	29%	0.286	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	139.8	173.5	-71.6	-179.5	-34.8	0	0	109.7	K432	Q389-K432 WeakPolarHBondContact CA-O 3.35Å
390	F	86.4	Confident	89.5	Confident	10 Å²	10	50.9 Å²	50.9	4%	0.044	27%	0.265	C	S	.	.			trans	-147.1	148.1	179.8	75.6	-89.3	0	0	0	108.9	P392 T397 V401 R427 K432 T433 L434 I512	F390-P392 HydrophobicContact CE2-CB 3.81Å; F390-P392 HydrophobicContact CE2-CG 4.45Å; F390-P392 WeakPolarHBondContact O-CD 3.49Å; F390-T397 HydrophobicContact CB-CG2 3.94Å; F390-V401 HydrophobicContact CB-CG2 3.7Å; F390-V401 HydrophobicContact CD1-CG2 4.31Å; F390-V401 HydrophobicContact CD2-CG2 3.84Å; F390-V401 HydrophobicContact CG-CG2 3.67Å; F390-R427 HydrophobicContact CE1-CG 3.93Å; F390-R427 HydrophobicContact CZ-CG 3.68Å; F390-R427 VanDerWaalsContact CZ-NE 3.3Å; F390-K432 PolarHBondContact N-O 2.76Å; F390-K432 WeakPolarHBondContact O-CB 3.34Å; F390-T433 VanDerWaalsContact CE1-C 3.44Å; F390-L434 HydrophobicContact CD1-CB 4.07Å; F390-L434 HydrophobicContact CE1-CB 4.32Å; F390-I512 HydrophobicContact CB-CG2 3.78Å
391	D	85.5	Confident	89.2	Confident	61 Å²	61	49 Å²	49	33%	0.326	25%	0.245	S	C	.	.			trans	-85.2	117.7	171.7	-174.3	44.4	0	0	0	110.6	D393 S394 K432	D391-D393 VanDerWaalsContact C-N 3.27Å; D391-S394 WeakPolarHBondContact OD2-CB 3.41Å; D391-S394 PolarHBondContact OD2-N 2.81Å; D391-K432 IonicContact OD1-NZ 3.26Å; D391-K432 PolarHBondContact OD1-NZ 3.31Å
392	P	82.1	Confident	89	Confident	27 Å²	27	48.4 Å²	48.4	18%	0.175	25%	0.249	C	C	.	.	S	Bend	trans	-66.9	-30.5	175.1	26.3	-33.8	0	0	0	112.5	F390 S398 K432	F390-P392 HydrophobicContact CE2-CB 3.81Å; F390-P392 HydrophobicContact CE2-CG 4.45Å; F390-P392 WeakPolarHBondContact O-CD 3.49Å; P392-S398 PolarHBondContact O-OG 3.34Å; P392-K432 VanDerWaalsContact CD-CD 3.49Å; P392-K432 VanDerWaalsContact CD-CE 3.44Å; P392-K432 HydrophobicContact CG-CD 4.05Å; P392-K432 HydrophobicContact CG-CG 3.99Å
393	D	86.5	Confident	88.6	Confident	122 Å²	122	44.8 Å²	44.8	65%	0.652	24%	0.236	S	C	*	.	S	Bend	trans	-77.9	-31.3	-170.4	-55	-56.3	0	0	0	111.8	D391 P395 K432	D391-D393 VanDerWaalsContact C-N 3.27Å; D393-P395 WeakPolarHBondContact O-CD 3.39Å; D393-K432 IonicContact OD2-NZ 2.7Å; D393-K432 PolarHBondContact OD2-NZ 3.17Å
394	S	86	Confident	88.2	Confident	24 Å²	24	44.6 Å²	44.6	17%	0.168	24%	0.235	C	C	.	.			trans	-64.8	117.4	166	167.6	0	0	0	0	111.8	D391 E396 T397 S398	D391-S394 WeakPolarHBondContact OD2-CB 3.41Å; D391-S394 PolarHBondContact OD2-N 2.81Å; S394-E396 VanDerWaalsContact C-N 3.31Å; S394-E396 PolarHBondContact O-N 2.77Å; S394-E396 PolarHBondContact OG-OE2 2.65Å; S394-E396 VanDerWaalsContact OG-OE2 3.14Å; S394-T397 WeakPolarHBondContact CB-OG1 3Å; S394-T397 PolarHBondContact O-N 2.8Å; S394-T397 WeakPolarHBondContact OG-CB 3.41Å; S394-T397 PolarHBondContact OG-N 3.13Å; S394-T397 VanDerWaalsContact OG-N 3.12Å; S394-T397 PolarHBondContact OG-OG1 2.69Å; S394-S398 WeakPolarHBondContact O-CB 3.44Å; S394-S398 PolarHBondContact O-N 2.96Å
395	P	83.9	Confident	87.9	Confident	89 Å²	89	46.7 Å²	46.7	58%	0.578	24%	0.244	S	C	*	.	H	α-helix	trans	-69.1	-28.4	177.5	27.3	-32.9	0	0	0	112.7	D393 K399	D393-P395 WeakPolarHBondContact O-CD 3.39Å; P395-K399 WeakPolarHBondContact O-CB 3.18Å; P395-K399 PolarHBondContact O-N 3.14Å
396	E	83.1	Confident	87.5	Confident	120 Å²	120	50.8 Å²	50.8	56%	0.561	27%	0.271	S	S	*	.	H	α-helix	trans	-64.8	-46.6	173.2	-61.1	68.3	-148.6	0	0	110.8	S394 K399 E400	S394-E396 VanDerWaalsContact C-N 3.31Å; S394-E396 PolarHBondContact O-N 2.77Å; S394-E396 PolarHBondContact OG-OE2 2.65Å; S394-E396 VanDerWaalsContact OG-OE2 3.14Å; E396-K399 WeakPolarHBondContact O-CB 3.47Å; E396-K399 PolarHBondContact O-N 3.21Å; E396-E400 PolarHBondContact O-N 2.88Å; E396-E400 VanDerWaalsContact O-N 3.14Å
397	T	83.3	Confident	87.2	Confident	5 Å²	5	52 Å²	52	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-71.5	-46.5	-177.3	-52.6	0	0	0	0	110.6	F390 S394 K399 E400 V401 I512 S515	F390-T397 HydrophobicContact CB-CG2 3.94Å; S394-T397 WeakPolarHBondContact CB-OG1 3Å; S394-T397 PolarHBondContact O-N 2.8Å; S394-T397 WeakPolarHBondContact OG-CB 3.41Å; S394-T397 PolarHBondContact OG-N 3.13Å; S394-T397 VanDerWaalsContact OG-N 3.12Å; S394-T397 PolarHBondContact OG-OG1 2.69Å; T397-K399 VanDerWaalsContact C-N 3.25Å; T397-K399 PolarHBondContact O-N 3.05Å; T397-E400 PolarHBondContact O-N 2.83Å; T397-V401 WeakPolarHBondContact O-CG2 3.48Å; T397-V401 PolarHBondContact O-N 3.39Å; T397-I512 HydrophobicContact CG2-CG2 4.18Å; T397-S515 WeakPolarHBondContact OG1-CB 3.31Å
398	S	85.8	Confident	87	Confident	19 Å²	19	50.1 Å²	50.1	13%	0.133	27%	0.268	C	S	.	.	H	α-helix	trans	-57	-36.2	171.4	-92.3	0	0	0	0	112.7	P392 S394 N402 R427	P392-S398 PolarHBondContact O-OG 3.34Å; S394-S398 WeakPolarHBondContact O-CB 3.44Å; S394-S398 PolarHBondContact O-N 2.96Å; S398-N402 WeakPolarHBondContact O-CB 3.26Å; S398-N402 PolarHBondContact O-N 3Å; S398-N402 PolarHBondContact O-ND2 3.21Å; S398-N402 PolarHBondContact O-OD1 2.93Å; S398-R427 PolarHBondContact OG-NH2 2.75Å
399	K	85.9	Confident	86.8	Confident	130 Å²	130	55.2 Å²	55.2	57%	0.565	29%	0.292	S	S	*	.	H	α-helix	trans	-64.9	-44.5	175.6	170.2	178.5	161.9	-75.8	0	112.6	P395 E396 T397 A403	P395-K399 WeakPolarHBondContact O-CB 3.18Å; P395-K399 PolarHBondContact O-N 3.14Å; E396-K399 WeakPolarHBondContact O-CB 3.47Å; E396-K399 PolarHBondContact O-N 3.21Å; T397-K399 VanDerWaalsContact C-N 3.25Å; T397-K399 PolarHBondContact O-N 3.05Å; K399-A403 WeakPolarHBondContact O-CB 3.27Å; K399-A403 PolarHBondContact O-N 2.87Å; K399-A403 VanDerWaalsContact O-N 3.08Å
400	E	85.5	Confident	86.5	Confident	33 Å²	33	53.6 Å²	53.6	15%	0.154	29%	0.287	C	S	.	.	H	α-helix	trans	-72.5	-32.4	178.3	-66.4	-52.9	129.8	0	0	112.4	E396 T397 A403 L404 R508 T511 I512	E396-E400 PolarHBondContact O-N 2.88Å; E396-E400 VanDerWaalsContact O-N 3.14Å; T397-E400 PolarHBondContact O-N 2.83Å; E400-A403 PolarHBondContact O-N 2.88Å; E400-L404 WeakPolarHBondContact O-CB 3.32Å; E400-L404 PolarHBondContact O-N 3.02Å; E400-R508 IonicContact OE2-NE 2.78Å; E400-T511 HydrophobicContact CG-CG2 3.94Å; E400-I512 HydrophobicContact CB-CD1 4.35Å; E400-I512 HydrophobicContact CB-CG1 3.78Å
401	V	88.1	Confident	86.7	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-60	-53.7	169.5	169.4	0	0	0	0	110.8	F390 T397 A403 L404 E405 L434 I512	F390-V401 HydrophobicContact CB-CG2 3.7Å; F390-V401 HydrophobicContact CD1-CG2 4.31Å; F390-V401 HydrophobicContact CD2-CG2 3.84Å; F390-V401 HydrophobicContact CG-CG2 3.67Å; T397-V401 WeakPolarHBondContact O-CG2 3.48Å; T397-V401 PolarHBondContact O-N 3.39Å; V401-A403 PolarHBondContact O-N 3.34Å; V401-L404 WeakPolarHBondContact O-CB 3.42Å; V401-L404 PolarHBondContact O-N 3.15Å; V401-E405 HydrophobicContact CG1-CG 4.46Å; V401-E405 WeakPolarHBondContact O-CG 3.48Å; V401-E405 PolarHBondContact O-N 3.34Å; V401-L434 HydrophobicContact CG1-CD2 4.44Å; V401-I512 HydrophobicContact CG2-CD1 3.9Å; V401-I512 HydrophobicContact CG2-CG1 4.18Å; V401-I512 HydrophobicContact CG2-CG2 4.28Å
402	N	89.8	Confident	86.9	Confident	77 Å²	77	51.7 Å²	51.7	41%	0.412	28%	0.276	S	S	.	.	H	α-helix	trans	-57.8	-35.1	177.8	-63.3	-1	0	0	0	112	S398 C406 R427	S398-N402 WeakPolarHBondContact O-CB 3.26Å; S398-N402 PolarHBondContact O-N 3Å; S398-N402 PolarHBondContact O-ND2 3.21Å; S398-N402 PolarHBondContact O-OD1 2.93Å; N402-C406 PolarHBondContact O-N 3.01Å; N402-C406 PolarHBondContact O-SG 3.47Å; N402-C406 VanDerWaalsContact O-SG 3.37Å; N402-R427 PolarHBondContact OD1-NH1 2.59Å
403	A	87.1	Confident	87.3	Confident	24 Å²	24	54.5 Å²	54.5	20%	0.198	29%	0.29	C	S	.	.	H	α-helix	trans	-76.1	-30.1	178.9	0	0	0	0	0	113	K399 E400 V401 E407 R508	K399-A403 WeakPolarHBondContact O-CB 3.27Å; K399-A403 PolarHBondContact O-N 2.87Å; K399-A403 VanDerWaalsContact O-N 3.08Å; E400-A403 PolarHBondContact O-N 2.88Å; V401-A403 PolarHBondContact O-N 3.34Å; A403-E407 PolarHBondContact O-N 3.25Å; A403-E407 VanDerWaalsContact O-N 3.16Å; A403-R508 VanDerWaalsContact CB-NE 3.33Å; A403-R508 PolarHBondContact O-NH1 3.03Å
404	L	89.3	Confident	87.5	Confident	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-72.9	-39.1	171.2	173.4	59.3	0	0	0	111.8	E400 V401 E407 I408 L434 I436 A505 R508 L509 I512	E400-L404 WeakPolarHBondContact O-CB 3.32Å; E400-L404 PolarHBondContact O-N 3.02Å; V401-L404 WeakPolarHBondContact O-CB 3.42Å; V401-L404 PolarHBondContact O-N 3.15Å; L404-E407 WeakPolarHBondContact O-CB 3.48Å; L404-E407 PolarHBondContact O-N 2.93Å; L404-E407 VanDerWaalsContact O-N 3.12Å; L404-I408 HydrophobicContact CD1-CD1 3.81Å; L404-I408 HydrophobicContact CD1-CG1 4.04Å; L404-I408 HydrophobicContact CG-CD1 3.79Å; L404-I408 HydrophobicContact CG-CG1 4.48Å; L404-I408 WeakPolarHBondContact O-CD1 3.24Å; L404-I408 VanDerWaalsContact O-CG1 3.32Å; L404-I408 WeakPolarHBondContact O-CG1 3.43Å; L404-I408 PolarHBondContact O-N 2.62Å; L404-L434 HydrophobicContact CD2-CD2 3.67Å; L404-L434 HydrophobicContact CG-CD2 4.23Å; L404-I436 HydrophobicContact CD2-CD1 4.35Å; L404-A505 HydrophobicContact CD1-CB 3.57Å; L404-R508 HydrophobicContact CB-CB 4.16Å; L404-R508 HydrophobicContact CD1-CB 4.33Å; L404-L509 HydrophobicContact CD2-CD2 3.59Å; L404-L509 HydrophobicContact CD2-CG 4.05Å; L404-I512 HydrophobicContact CB-CD1 4.28Å; L404-I512 HydrophobicContact CD2-CD1 3.61Å
405	E	90.9	Very high	87.8	Confident	50 Å²	50	54.6 Å²	54.6	23%	0.234	29%	0.288	C	S	.	.	H	α-helix	trans	-58.5	-47.1	172.4	-70.4	169.5	168.2	0	0	111	V401 E407 I408 Q409 R427 L434	V401-E405 HydrophobicContact CG1-CG 4.46Å; V401-E405 WeakPolarHBondContact O-CG 3.48Å; V401-E405 PolarHBondContact O-N 3.34Å; E405-E407 VanDerWaalsContact C-N 3.29Å; E405-E407 PolarHBondContact O-N 2.68Å; E405-I408 PolarHBondContact O-N 3.03Å; E405-Q409 VanDerWaalsContact O-CB 3.31Å; E405-Q409 WeakPolarHBondContact O-CB 3.35Å; E405-Q409 PolarHBondContact O-N 2.83Å; E405-R427 WeakPolarHBondContact OE1-CB 3.47Å; E405-R427 VanDerWaalsContact OE1-CD 3.29Å; E405-R427 WeakPolarHBondContact OE1-CD 3.25Å; E405-L434 HydrophobicContact CG-CD1 4.03Å
406	C	88.3	Confident	88.4	Confident	86 Å²	86	53.1 Å²	53.1	58%	0.581	27%	0.273	S	S	*	.	H	α-helix	trans	-58.3	-37.8	172.2	-75.9	0	0	0	0	113	N402 L410	N402-C406 PolarHBondContact O-N 3.01Å; N402-C406 PolarHBondContact O-SG 3.47Å; N402-C406 VanDerWaalsContact O-SG 3.37Å; C406-L410 WeakPolarHBondContact O-CG 3.44Å; C406-L410 PolarHBondContact O-N 2.89Å
407	E	88.3	Confident	89	Confident	33 Å²	33	53 Å²	53	15%	0.154	27%	0.273	C	S	.	.	H	α-helix	trans	-69	-48.3	177.6	-173.7	167.1	-174.6	0	0	111.4	A403 L404 E405 Q409 L410 L411 R508	A403-E407 PolarHBondContact O-N 3.25Å; A403-E407 VanDerWaalsContact O-N 3.16Å; L404-E407 WeakPolarHBondContact O-CB 3.48Å; L404-E407 PolarHBondContact O-N 2.93Å; L404-E407 VanDerWaalsContact O-N 3.12Å; E405-E407 VanDerWaalsContact C-N 3.29Å; E405-E407 PolarHBondContact O-N 2.68Å; E407-Q409 VanDerWaalsContact C-N 3.28Å; E407-Q409 PolarHBondContact O-N 3.3Å; E407-L410 WeakPolarHBondContact O-CA 3.47Å; E407-L410 WeakPolarHBondContact O-CB 3.35Å; E407-L410 PolarHBondContact O-N 3.46Å; E407-L411 HydrophobicContact CG-CD1 4.24Å; E407-L411 HydrophobicContact CG-CG 4.31Å; E407-L411 WeakPolarHBondContact O-CG 3.41Å; E407-L411 PolarHBondContact O-N 2.87Å; E407-R508 IonicContact OE2-CZ 3.51Å; E407-R508 IonicContact OE2-NH1 3.53Å; E407-R508 PolarHBondContact OE2-NH1 2.9Å
408	I	90.7	Very high	89.7	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.2	-38.3	177	-65.8	158.8	0	0	0	111.4	L404 E405 L410 L411 K412 Y422 C425 I436	L404-I408 HydrophobicContact CD1-CD1 3.81Å; L404-I408 HydrophobicContact CD1-CG1 4.04Å; L404-I408 HydrophobicContact CG-CD1 3.79Å; L404-I408 HydrophobicContact CG-CG1 4.48Å; L404-I408 WeakPolarHBondContact O-CD1 3.24Å; L404-I408 VanDerWaalsContact O-CG1 3.32Å; L404-I408 WeakPolarHBondContact O-CG1 3.43Å; L404-I408 PolarHBondContact O-N 2.62Å; E405-I408 PolarHBondContact O-N 3.03Å; I408-L410 PolarHBondContact O-N 2.89Å; I408-L411 PolarHBondContact O-N 2.85Å; I408-K412 PolarHBondContact O-N 3.3Å; I408-Y422 HydrophobicContact CG2-CD1 4.47Å; I408-C425 HydrophobicContact CD1-CB 3.95Å; I408-C425 HydrophobicContact CG2-CB 4.23Å; I408-I436 HydrophobicContact CD1-CB 4.41Å; I408-I436 HydrophobicContact CD1-CD1 3.78Å; I408-I436 HydrophobicContact CD1-CG1 3.77Å; I408-I436 HydrophobicContact CD1-CG2 3.83Å; I408-I436 HydrophobicContact CG1-CG2 4.31Å; I408-I436 HydrophobicContact CG2-CG2 4.39Å
409	Q	87.4	Confident	90.2	Very high	108 Å²	108	53 Å²	53	51%	0.505	27%	0.269	S	S	.	.	H	α-helix	trans	-63.5	-22	175	-179.1	70.6	-17.5	0	0	113.3	E405 E407 N413	E405-Q409 VanDerWaalsContact O-CB 3.31Å; E405-Q409 WeakPolarHBondContact O-CB 3.35Å; E405-Q409 PolarHBondContact O-N 2.83Å; E407-Q409 VanDerWaalsContact C-N 3.28Å; E407-Q409 PolarHBondContact O-N 3.3Å; Q409-N413 PolarHBondContact O-ND2 3.48Å
410	L	83.4	Confident	90.7	Very high	108 Å²	108	46.9 Å²	46.9	57%	0.565	24%	0.243	S	C	*	.	H	α-helix	trans	-86.3	-48.8	168.3	-64.7	171	0	0	0	111.4	C406 E407 I408 K412 N413	C406-L410 WeakPolarHBondContact O-CG 3.44Å; C406-L410 PolarHBondContact O-N 2.89Å; E407-L410 WeakPolarHBondContact O-CA 3.47Å; E407-L410 WeakPolarHBondContact O-CB 3.35Å; E407-L410 PolarHBondContact O-N 3.46Å; I408-L410 PolarHBondContact O-N 2.89Å; L410-K412 PolarHBondContact O-N 3.14Å; L410-N413 WeakPolarHBondContact O-CB 3.37Å; L410-N413 PolarHBondContact O-N 3.29Å; L410-N413 PolarHBondContact O-ND2 3.23Å; L410-N413 VanDerWaalsContact O-ND2 3.07Å
411	L	89.4	Confident	91.2	Very high	9 Å²	9	46 Å²	46	5%	0.047	24%	0.239	C	C	.	.	H	α-helix	trans	-59.8	-30.6	-176.4	-62.6	-176.3	0	0	0	113.1	E407 I408 N413 L414 Y422 I480 F503	E407-L411 HydrophobicContact CG-CD1 4.24Å; E407-L411 HydrophobicContact CG-CG 4.31Å; E407-L411 WeakPolarHBondContact O-CG 3.41Å; E407-L411 PolarHBondContact O-N 2.87Å; I408-L411 PolarHBondContact O-N 2.85Å; L411-N413 PolarHBondContact O-N 3.25Å; L411-L414 HydrophobicContact CB-CD1 4.5Å; L411-L414 HydrophobicContact CD2-CD1 3.95Å; L411-L414 VanDerWaalsContact O-CB 3.28Å; L411-L414 WeakPolarHBondContact O-CB 3.49Å; L411-L414 WeakPolarHBondContact O-CG 3.2Å; L411-L414 PolarHBondContact O-N 3.5Å; L411-L414 VanDerWaalsContact O-N 3.12Å; L411-Y422 HydrophobicContact CB-CD2 3.89Å; L411-Y422 HydrophobicContact CB-CE2 4.37Å; L411-Y422 HydrophobicContact CB-CG 4.45Å; L411-Y422 HydrophobicContact CD1-CD2 4.37Å; L411-Y422 HydrophobicContact CD1-CE2 4.02Å; L411-I480 HydrophobicContact CD2-CD1 4Å; L411-F503 HydrophobicContact CB-CE2 4.33Å; L411-F503 HydrophobicContact CD1-CD2 4.23Å; L411-F503 HydrophobicContact CD1-CE2 4.13Å; L411-F503 HydrophobicContact CD2-CD2 4.23Å; L411-F503 HydrophobicContact CD2-CE2 4.04Å; L411-F503 HydrophobicContact CG-CE2 4.38Å
412	K	90.3	Very high	91.5	Very high	21 Å²	21	46.2 Å²	46.2	9%	0.091	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.3	175.9	77	177.8	-163.3	176	0	114.9	P351 I408 L410 L414 Q421 Y422	P351-K412 WeakPolarHBondContact CD-O 3.45Å; P351-K412 WeakPolarHBondContact CG-O 3.48Å; I408-K412 PolarHBondContact O-N 3.3Å; L410-K412 PolarHBondContact O-N 3.14Å; K412-L414 VanDerWaalsContact C-N 3.32Å; K412-Q421 PolarHBondContact O-NE2 2.92Å; K412-Y422 WeakPolarHBondContact CB-O 3.42Å
413	N	89.9	Confident	91.8	Very high	86 Å²	86	44.2 Å²	44.2	46%	0.46	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-8.5	178.6	-50.6	-60.1	0	0	0	112.1	S350 Q409 L410 L411	S350-N413 VanDerWaalsContact CB-OD1 3.32Å; S350-N413 WeakPolarHBondContact CB-OD1 3.45Å; Q409-N413 PolarHBondContact O-ND2 3.48Å; L410-N413 WeakPolarHBondContact O-CB 3.37Å; L410-N413 PolarHBondContact O-N 3.29Å; L410-N413 PolarHBondContact O-ND2 3.23Å; L410-N413 VanDerWaalsContact O-ND2 3.07Å; L411-N413 PolarHBondContact O-N 3.25Å
414	L	90.7	Very high	92.1	Very high	15 Å²	15	43.3 Å²	43.3	8%	0.079	22%	0.22	C	C	.	.			trans	-72.3	134.5	168.2	-57.1	173.3	0	0	0	108.9	L411 K412 Q421 Y474 L475 N478 I480 F503	L411-L414 HydrophobicContact CB-CD1 4.5Å; L411-L414 HydrophobicContact CD2-CD1 3.95Å; L411-L414 VanDerWaalsContact O-CB 3.28Å; L411-L414 WeakPolarHBondContact O-CB 3.49Å; L411-L414 WeakPolarHBondContact O-CG 3.2Å; L411-L414 PolarHBondContact O-N 3.5Å; L411-L414 VanDerWaalsContact O-N 3.12Å; K412-L414 VanDerWaalsContact C-N 3.32Å; L414-Q421 PolarHBondContact O-NE2 3.01Å; L414-Q421 PolarHBondContact O-OE1 3.48Å; L414-Q421 VanDerWaalsContact O-OE1 3.1Å; L414-Y474 HydrophobicContact CB-CE1 4.11Å; L414-Y474 HydrophobicContact CD2-CE1 4Å; L414-L475 HydrophobicContact CD1-CD2 4.15Å; L414-N478 HydrophobicContact CD2-CB 4.27Å; L414-I480 HydrophobicContact CD1-CD1 3.6Å; L414-I480 HydrophobicContact CD2-CD1 4.09Å; L414-I480 HydrophobicContact CG-CD1 4.41Å; L414-F503 HydrophobicContact CD1-CE2 3.77Å; L414-F503 HydrophobicContact CD1-CZ 4.44Å
415	L	92.9	Very high	92.3	Very high	133 Å²	133	44.8 Å²	44.8	70%	0.696	23%	0.229	S	C	*	.			trans	-144.9	110.8	179.1	174.6	64.3	0	0	0	108.2	Q421 Y474	L415-Q421 VanDerWaalsContact CD1-OE1 3.27Å; L415-Y474 PolarHBondContact N-OH 3.15Å; L415-Y474 PolarHBondContact O-OH 2.8Å
416	H	96	Very high	92.5	Very high	59 Å²	59	45.8 Å²	45.8	27%	0.273	24%	0.236	S	C	.	.			trans	-157.4	146	-179	-173.5	-115	0	0	0	110.6	R418 I419 E470 Y474	H416-R418 PolarHBondContact ND1-N 3.33Å; H416-R418 PolarHBondContact O-N 2.94Å; H416-I419 HydrophobicContact CB-CB 4.16Å; H416-I419 HydrophobicContact CB-CG1 3.82Å; H416-I419 PolarHBondContact O-N 2.87Å; H416-I419 VanDerWaalsContact O-N 3.14Å; H416-E470 PolarHBondContact CE1-O 2.7Å; H416-E470 VanDerWaalsContact CE1-O 3.29Å; H416-Y474 HydrophobicContact CB-CD1 3.79Å; H416-Y474 HydrophobicContact CB-CD2 3.91Å; H416-Y474 HydrophobicContact CB-CE1 3.82Å; H416-Y474 HydrophobicContact CB-CE2 3.94Å; H416-Y474 HydrophobicContact CB-CG 3.83Å; H416-Y474 AromaticContact CD2-CD2 3.67Å; H416-Y474 AromaticContact CD2-CG 3.96Å; H416-Y474 AromaticContact CG-CD2 3.76Å; H416-Y474 AromaticContact CG-CG 3.66Å; H416-Y474 AromaticContact ND1-CG 3.96Å
417	E	96.8	Very high	92.7	Very high	117 Å²	117	45.2 Å²	45.2	55%	0.547	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-21	-174.8	-154.2	-162.7	141	0	0	113.4	K499	E417-K499 VanDerWaalsContact O-CE 3.27Å; E417-K499 WeakPolarHBondContact O-CE 3.32Å; E417-K499 WeakPolarHBondContact O-CG 3.48Å
418	R	97.7	Very high	92.8	Very high	19 Å²	19	46.7 Å²	46.7	7%	0.072	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	10.4	-176.4	-50.4	-61.1	176.1	-125.2	-16.4	114.6	H416 Q467 E470 K499 L500	H416-R418 PolarHBondContact ND1-N 3.33Å; H416-R418 PolarHBondContact O-N 2.94Å; R418-Q467 WeakPolarHBondContact CB-O 3.4Å; R418-Q467 WeakPolarHBondContact CD-O 3.42Å; R418-Q467 VanDerWaalsContact CG-O 3.27Å; R418-Q467 WeakPolarHBondContact CG-O 3.41Å; R418-E470 HydrophobicContact CG-CB 3.75Å; R418-E470 IonicContact CZ-OE2 2.61Å; R418-E470 IonicContact NE-OE2 3.19Å; R418-E470 PolarHBondContact NE-OE2 2.84Å; R418-E470 IonicContact NH2-OE2 3.11Å; R418-K499 CarbonylContact O-C 3.54Å; R418-K499 VanDerWaalsContact O-CA 3.28Å; R418-K499 WeakPolarHBondContact O-CA 3.36Å; R418-L500 PolarHBondContact O-N 3.32Å
419	I	96.7	Very high	92.5	Very high	4 Å²	4	50.6 Å²	50.6	2%	0.021	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-123.3	129.3	-178.5	-59.1	-60.6	0	0	0	108.4	H416 Q421 Y474 L475 L500 F503	H416-I419 HydrophobicContact CB-CB 4.16Å; H416-I419 HydrophobicContact CB-CG1 3.82Å; H416-I419 PolarHBondContact O-N 2.87Å; H416-I419 VanDerWaalsContact O-N 3.14Å; I419-Q421 PolarHBondContact O-N 2.89Å; I419-Y474 HydrophobicContact CG1-CD1 3.88Å; I419-Y474 HydrophobicContact CG1-CE1 4.36Å; I419-L475 HydrophobicContact CD1-CD1 3.94Å; I419-L475 HydrophobicContact CD1-CD2 3.97Å; I419-L475 HydrophobicContact CD1-CG 3.71Å; I419-L500 HydrophobicContact CD1-CB 4.13Å; I419-L500 HydrophobicContact CD1-CD1 4.05Å; I419-F503 HydrophobicContact CG2-CD1 4.46Å; I419-F503 HydrophobicContact CG2-CE1 3.47Å; I419-F503 VanDerWaalsContact CG2-CE1 3.47Å; I419-F503 HydrophobicContact CG2-CE2 4.27Å; I419-F503 HydrophobicContact CG2-CZ 3.34Å
420	V	96.1	Very high	92.5	Very high	2 Å²	2	54 Å²	54	1%	0.012	27%	0.272	C	S	.	.	P	Polyproline II helix	trans	-64.9	121.9	175.5	174.1	0	0	0	0	108.6	Y422 M438 E439 M441 L491 K499 L500	V420-Y422 PolarHBondContact O-N 2.89Å; V420-M438 HydrophobicContact CG1-CB 4.14Å; V420-M438 HydrophobicContact CG1-CG 4.43Å; V420-E439 HydrophobicContact CG1-CB 4.13Å; V420-M441 HydrophobicContact CG2-CG 4.13Å; V420-L491 HydrophobicContact CG2-CD1 4.23Å; V420-K499 HydrophobicContact CG2-CB 3.76Å; V420-L500 WeakPolarHBondContact CB-O 3.46Å; V420-L500 WeakPolarHBondContact CG2-O 3.39Å; V420-L500 PolarHBondContact N-O 3.32Å
421	Q	95.3	Very high	92.8	Very high	16 Å²	16	55.4 Å²	55.4	8%	0.075	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-70.2	122.1	-176.5	-175.3	63.9	69.6	0	0	111.2	P351 K412 L414 L415 I419 Y423 M438 E439	P351-Q421 HydrophobicContact CG-CG 4.2Å; K412-Q421 PolarHBondContact O-NE2 2.92Å; L414-Q421 PolarHBondContact O-NE2 3.01Å; L414-Q421 PolarHBondContact O-OE1 3.48Å; L414-Q421 VanDerWaalsContact O-OE1 3.1Å; L415-Q421 VanDerWaalsContact CD1-OE1 3.27Å; I419-Q421 PolarHBondContact O-N 2.89Å; Q421-Y423 HydrophobicContact CB-CE2 3.92Å; Q421-Y423 HydrophobicContact CG-CD2 4.47Å; Q421-Y423 HydrophobicContact CG-CE1 4.35Å; Q421-Y423 HydrophobicContact CG-CE2 3.73Å; Q421-Y423 WeakPolarHBondContact CG-OH 3.46Å; Q421-Y423 WeakPolarHBondContact O-CE2 3.26Å; Q421-M438 CarbonylContact O-C 3.59Å; Q421-M438 VanDerWaalsContact O-CA 3.26Å; Q421-M438 WeakPolarHBondContact O-CA 3.39Å; Q421-E439 HydrophobicContact CB-CB 4.12Å; Q421-E439 PolarHBondContact N-OE2 2.66Å; Q421-E439 PolarHBondContact O-N 3.12Å
422	Y	95.1	Very high	92.9	Very high	4 Å²	4	58.6 Å²	58.6	2%	0.016	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	139.9	164.1	-77.2	-80	0	0	0	110.4	P351 I408 L411 K412 V420 I436 M438 F503	P351-Y422 WeakPolarHBondContact CG-O 3.29Å; I408-Y422 HydrophobicContact CG2-CD1 4.47Å; L411-Y422 HydrophobicContact CB-CD2 3.89Å; L411-Y422 HydrophobicContact CB-CE2 4.37Å; L411-Y422 HydrophobicContact CB-CG 4.45Å; L411-Y422 HydrophobicContact CD1-CD2 4.37Å; L411-Y422 HydrophobicContact CD1-CE2 4.02Å; K412-Y422 WeakPolarHBondContact CB-O 3.42Å; V420-Y422 PolarHBondContact O-N 2.89Å; Y422-I436 HydrophobicContact CD1-CG2 3.93Å; Y422-I436 HydrophobicContact CE1-CG2 3.77Å; Y422-M438 HydrophobicContact CD1-CB 4.3Å; Y422-M438 HydrophobicContact CE1-CE 4.06Å; Y422-F503 HydrophobicContact CD2-CE1 4.39Å; Y422-F503 HydrophobicContact CD2-CE2 4.06Å; Y422-F503 AromaticContact CD2-CZ 3.67Å; Y422-F503 HydrophobicContact CD2-CZ 3.67Å; Y422-F503 HydrophobicContact CE2-CD1 4.47Å; Y422-F503 HydrophobicContact CE2-CD2 4.36Å; Y422-F503 AromaticContact CE2-CE1 3.83Å; Y422-F503 HydrophobicContact CE2-CE1 3.83Å; Y422-F503 AromaticContact CE2-CE2 3.72Å; Y422-F503 HydrophobicContact CE2-CE2 3.72Å; Y422-F503 AromaticContact CE2-CZ 3.42Å; Y422-F503 HydrophobicContact CE2-CZ 3.42Å; Y422-F503 VanDerWaalsContact CE2-CZ 3.42Å
423	Y	94.8	Very high	93	Very high	35 Å²	35	58.3 Å²	58.3	14%	0.137	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	-35.1	175.7	-73.8	-85.9	0	0	0	111.5	P351 R352 A353 R381 L383 Q421 F437 E439	P351-Y423 HydrophobicContact CB-CD1 3.47Å; P351-Y423 VanDerWaalsContact CB-CD1 3.47Å; P351-Y423 HydrophobicContact CB-CE1 3.55Å; P351-Y423 HydrophobicContact CB-CG 4.32Å; P351-Y423 HydrophobicContact CG-CD1 4.48Å; P351-Y423 HydrophobicContact CG-CE1 4.46Å; R352-Y423 CarbonylContact C-O 3.48Å; R352-Y423 VanDerWaalsContact CA-O 3.23Å; R352-Y423 WeakPolarHBondContact CA-O 3.49Å; A353-Y423 PolarHBondContact N-O 2.75Å; R381-Y423 VanDerWaalsContact NH1-CZ 3.28Å; R381-Y423 PolarHBondContact NH1-OH 3.34Å; R381-Y423 PolarHBondContact NH2-OH 3.34Å; L383-Y423 HydrophobicContact CD2-CD2 3.94Å; L383-Y423 HydrophobicContact CD2-CE2 3.9Å; L383-Y423 HydrophobicContact CD2-CG 4.44Å; Q421-Y423 HydrophobicContact CB-CE2 3.92Å; Q421-Y423 HydrophobicContact CG-CD2 4.47Å; Q421-Y423 HydrophobicContact CG-CE1 4.35Å; Q421-Y423 HydrophobicContact CG-CE2 3.73Å; Q421-Y423 WeakPolarHBondContact CG-OH 3.46Å; Q421-Y423 WeakPolarHBondContact O-CE2 3.26Å; Y423-F437 PolarHBondContact N-O 3.36Å; Y423-E439 HydrophobicContact CE2-CB 4.2Å
424	G	94.3	Very high	93.1	Very high	5 Å²	5	54.2 Å²	54.2	5%	0.052	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	152.1	-160.9	175.9	0	0	0	0	0	111	F437	G424-F437 PolarHBondContact O-N 3.37Å
425	C	94.6	Very high	93.4	Very high	30 Å²	30	53.9 Å²	53.9	20%	0.203	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	153.9	173	52.6	0	0	0	0	111.3	I408 L434 S435 I436	I408-C425 HydrophobicContact CD1-CB 3.95Å; I408-C425 HydrophobicContact CG2-CB 4.23Å; C425-L434 HydrophobicContact CB-CD1 4.12Å; C425-S435 CarbonylContact C-O 3.55Å; C425-S435 WeakPolarHBondContact CA-O 3.28Å; C425-S435 WeakPolarHBondContact CB-O 3.37Å; C425-I436 HydrophobicContact CB-CG1 4.25Å
426	L	94.5	Very high	93.5	Very high	72 Å²	72	47.7 Å²	47.7	38%	0.377	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	139	171.8	-61.9	175.3	0	0	0	108.5	A353 S435 F437	A353-L426 HydrophobicContact CB-CG 4.28Å; L426-S435 PolarHBondContact N-O 2.84Å; L426-S435 PolarHBondContact O-N 2.78Å; L426-F437 HydrophobicContact CB-CE2 4.02Å; L426-F437 HydrophobicContact CD1-CE2 3.84Å; L426-F437 HydrophobicContact CD1-CZ 4.1Å; L426-F437 HydrophobicContact CG-CE2 3.8Å
427	R	91.5	Very high	93.5	Very high	73 Å²	73	44.9 Å²	44.9	28%	0.275	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	127.8	178.4	175.7	175.3	175.5	164.4	1.6	109.4	F390 S398 N402 E405 L434	F390-R427 HydrophobicContact CE1-CG 3.93Å; F390-R427 HydrophobicContact CZ-CG 3.68Å; F390-R427 VanDerWaalsContact CZ-NE 3.3Å; S398-R427 PolarHBondContact OG-NH2 2.75Å; N402-R427 PolarHBondContact OD1-NH1 2.59Å; E405-R427 WeakPolarHBondContact OE1-CB 3.47Å; E405-R427 VanDerWaalsContact OE1-CD 3.29Å; E405-R427 WeakPolarHBondContact OE1-CD 3.25Å; R427-L434 HydrophobicContact CB-CD1 4.17Å
428	D	91	Very high	93.5	Very high	65 Å²	65	39.9 Å²	39.9	35%	0.348	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	110.2	169.1	-164.8	-44.3	0	0	0	109.2	Q430 E431 K432 T433	D428-Q430 WeakPolarHBondContact OD1-CA 3.42Å; D428-Q430 WeakPolarHBondContact OD1-CB 3.44Å; D428-Q430 PolarHBondContact OD1-N 2.84Å; D428-E431 HydrophobicContact CB-CB 4.14Å; D428-E431 PolarHBondContact OD1-N 3.11Å; D428-K432 PolarHBondContact O-N 3.46Å; D428-T433 PolarHBondContact N-O 2.81Å; D428-T433 PolarHBondContact O-N 3.44Å
429	P	84.7	Confident	93.4	Very high	82 Å²	82	40.7 Å²	40.7	53%	0.532	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-21.5	176.3	-17.5	32.9	0	0	0	114.2
430	Q	87.8	Confident	93.4	Very high	178 Å²	178	42.6 Å²	42.6	83%	0.832	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-49.8	-179.3	-60.3	-173.6	0.3	0	0	109.8	D428 K432	D428-Q430 WeakPolarHBondContact OD1-CA 3.42Å; D428-Q430 WeakPolarHBondContact OD1-CB 3.44Å; D428-Q430 PolarHBondContact OD1-N 2.84Å; Q430-K432 PolarHBondContact O-N 2.69Å
431	E	88.6	Confident	93.5	Very high	138 Å²	138	43 Å²	43	65%	0.645	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	6.8	174.9	-65.9	-63.2	153.5	0	0	113.4	D428 T433	D428-E431 HydrophobicContact CB-CB 4.14Å; D428-E431 PolarHBondContact OD1-N 3.11Å; E431-T433 WeakPolarHBondContact O-CB 3.47Å; E431-T433 PolarHBondContact O-N 3.22Å; E431-T433 PolarHBondContact O-OG1 3.42Å
432	K	91.3	Very high	93.5	Very high	77 Å²	77	45.4 Å²	45.4	34%	0.335	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	45.8	39.7	-179.6	-68.5	-161.4	166.6	-157.7	0	113.1	Q389 F390 D391 P392 D393 D428 Q430	Q389-K432 WeakPolarHBondContact CA-O 3.35Å; F390-K432 PolarHBondContact N-O 2.76Å; F390-K432 WeakPolarHBondContact O-CB 3.34Å; D391-K432 IonicContact OD1-NZ 3.26Å; D391-K432 PolarHBondContact OD1-NZ 3.31Å; P392-K432 VanDerWaalsContact CD-CD 3.49Å; P392-K432 VanDerWaalsContact CD-CE 3.44Å; P392-K432 HydrophobicContact CG-CD 4.05Å; P392-K432 HydrophobicContact CG-CG 3.99Å; D393-K432 IonicContact OD2-NZ 2.7Å; D393-K432 PolarHBondContact OD2-NZ 3.17Å; D428-K432 PolarHBondContact O-N 3.46Å; Q430-K432 PolarHBondContact O-N 2.69Å
433	T	92.4	Very high	93.5	Very high	14 Å²	14	46.2 Å²	46.2	9%	0.086	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	127.3	-165.5	-69.6	0	0	0	0	113.2	Q387 V388 F390 D428 E431	Q387-T433 HydrophobicContact CB-CG2 3.88Å; Q387-T433 HydrophobicContact CG-CG2 4.13Å; V388-T433 WeakPolarHBondContact O-CA 3.19Å; F390-T433 VanDerWaalsContact CE1-C 3.44Å; D428-T433 PolarHBondContact N-O 2.81Å; D428-T433 PolarHBondContact O-N 3.44Å; E431-T433 WeakPolarHBondContact O-CB 3.47Å; E431-T433 PolarHBondContact O-N 3.22Å; E431-T433 PolarHBondContact O-OG1 3.42Å
434	L	93.4	Very high	93.5	Very high	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	121.3	169.2	178.8	70.8	0	0	0	108.9	Q387 V388 F390 V401 L404 E405 C425 R427 I436	Q387-L434 WeakPolarHBondContact CA-O 3.4Å; V388-L434 HydrophobicContact CB-CB 4.44Å; V388-L434 PolarHBondContact N-O 3.38Å; V388-L434 PolarHBondContact O-N 3.25Å; F390-L434 HydrophobicContact CD1-CB 4.07Å; F390-L434 HydrophobicContact CE1-CB 4.32Å; V401-L434 HydrophobicContact CG1-CD2 4.44Å; L404-L434 HydrophobicContact CD2-CD2 3.67Å; L404-L434 HydrophobicContact CG-CD2 4.23Å; E405-L434 HydrophobicContact CG-CD1 4.03Å; C425-L434 HydrophobicContact CB-CD1 4.12Å; R427-L434 HydrophobicContact CB-CD1 4.17Å; L434-I436 HydrophobicContact CD2-CD1 4.29Å; L434-I436 HydrophobicContact CD2-CG1 4.25Å; L434-I436 HydrophobicContact CG-CG1 4.19Å
435	S	95.6	Very high	93.6	Very high	7 Å²	7	45.8 Å²	45.8	5%	0.049	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	115.9	178.4	-65.4	0	0	0	0	110.3	Q387 C425 L426 F437	Q387-S435 PolarHBondContact NE2-OG 3.45Å; C425-S435 CarbonylContact C-O 3.55Å; C425-S435 WeakPolarHBondContact CA-O 3.28Å; C425-S435 WeakPolarHBondContact CB-O 3.37Å; L426-S435 PolarHBondContact N-O 2.84Å; L426-S435 PolarHBondContact O-N 2.78Å; S435-F437 WeakPolarHBondContact O-CE2 3.33Å
436	I	95.6	Very high	93.8	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.015	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.1	-177.5	-50.8	169.8	0	0	0	109.3	V385 K386 V388 L404 I408 Y422 C425 L434 M438 L509	V385-I436 CarbonylContact C-O 3.58Å; V385-I436 WeakPolarHBondContact CA-O 3.42Å; K386-I436 HydrophobicContact CB-CB 4.36Å; K386-I436 PolarHBondContact N-O 3.31Å; K386-I436 PolarHBondContact O-N 3.14Å; V388-I436 HydrophobicContact CG2-CD1 4.16Å; L404-I436 HydrophobicContact CD2-CD1 4.35Å; I408-I436 HydrophobicContact CD1-CB 4.41Å; I408-I436 HydrophobicContact CD1-CD1 3.78Å; I408-I436 HydrophobicContact CD1-CG1 3.77Å; I408-I436 HydrophobicContact CD1-CG2 3.83Å; I408-I436 HydrophobicContact CG1-CG2 4.31Å; I408-I436 HydrophobicContact CG2-CG2 4.39Å; Y422-I436 HydrophobicContact CD1-CG2 3.93Å; Y422-I436 HydrophobicContact CE1-CG2 3.77Å; C425-I436 HydrophobicContact CB-CG1 4.25Å; L434-I436 HydrophobicContact CD2-CD1 4.29Å; L434-I436 HydrophobicContact CD2-CG1 4.25Å; L434-I436 HydrophobicContact CG-CG1 4.19Å; I436-M438 HydrophobicContact CG2-CE 4.23Å; I436-L509 HydrophobicContact CD1-CD2 4.06Å
437	F	96.4	Very high	93.8	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	129.6	-173.9	-60	-91.8	0	0	0	111.3	A353 P354 W357 V385 Y423 G424 L426 S435	A353-F437 HydrophobicContact CB-CD2 3.75Å; A353-F437 HydrophobicContact CB-CE2 4.31Å; A353-F437 HydrophobicContact CB-CG 4.31Å; P354-F437 HydrophobicContact CG-CD1 3.64Å; P354-F437 HydrophobicContact CG-CE1 3.75Å; P354-F437 HydrophobicContact CG-CG 4.21Å; P354-F437 HydrophobicContact CG-CZ 4.43Å; W357-F437 AromaticContact CD2-CE1 3.76Å; W357-F437 HydrophobicContact CD2-CE1 3.76Å; W357-F437 AromaticContact CD2-CZ 3.93Å; W357-F437 HydrophobicContact CD2-CZ 3.93Å; W357-F437 AromaticContact CE2-CE1 3.93Å; W357-F437 AromaticContact CE2-CZ 3.58Å; W357-F437 HydrophobicContact CE3-CE1 4.06Å; W357-F437 HydrophobicContact CE3-CZ 4.48Å; W357-F437 HydrophobicContact CG-CE1 4.05Å; W357-F437 HydrophobicContact CG-CZ 4.3Å; W357-F437 HydrophobicContact CH2-CZ 4.44Å; W357-F437 HydrophobicContact CZ2-CE1 4.39Å; W357-F437 AromaticContact CZ2-CZ 3.88Å; W357-F437 HydrophobicContact CZ2-CZ 3.88Å; W357-F437 HydrophobicContact CZ3-CE1 4.49Å; W357-F437 AromaticContact NE1-CZ 3.73Å; V385-F437 HydrophobicContact CB-CD1 4.01Å; V385-F437 HydrophobicContact CB-CE1 4Å; V385-F437 HydrophobicContact CG2-CD1 3.86Å; V385-F437 HydrophobicContact CG2-CE1 3.59Å; V385-F437 HydrophobicContact CG2-CE2 4.37Å; V385-F437 HydrophobicContact CG2-CG 4.38Å; V385-F437 HydrophobicContact CG2-CZ 3.86Å; Y423-F437 PolarHBondContact N-O 3.36Å; G424-F437 PolarHBondContact O-N 3.37Å; L426-F437 HydrophobicContact CB-CE2 4.02Å; L426-F437 HydrophobicContact CD1-CE2 3.84Å; L426-F437 HydrophobicContact CD1-CZ 4.1Å; L426-F437 HydrophobicContact CG-CE2 3.8Å; S435-F437 WeakPolarHBondContact O-CE2 3.33Å
438	M	96.1	Very high	94	Very high	13 Å²	13	47.2 Å²	47.2	6%	0.064	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	166	-177.8	66.8	-166.3	71.2	0	0	111.4	A384 K386 V420 Q421 Y422 I436 Y440	A384-M438 HydrophobicContact CB-CG 3.78Å; A384-M438 PolarHBondContact N-O 2.85Å; A384-M438 PolarHBondContact O-N 3.09Å; K386-M438 HydrophobicContact CB-CE 3.67Å; K386-M438 HydrophobicContact CD-CE 4.28Å; V420-M438 HydrophobicContact CG1-CB 4.14Å; V420-M438 HydrophobicContact CG1-CG 4.43Å; Q421-M438 CarbonylContact O-C 3.59Å; Q421-M438 VanDerWaalsContact O-CA 3.26Å; Q421-M438 WeakPolarHBondContact O-CA 3.39Å; Y422-M438 HydrophobicContact CD1-CB 4.3Å; Y422-M438 HydrophobicContact CE1-CE 4.06Å; I436-M438 HydrophobicContact CG2-CE 4.23Å; M438-Y440 PolarHBondContact O-N 3Å
439	E	95.8	Very high	94.3	Very high	35 Å²	35	45.3 Å²	45.3	16%	0.164	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.9	131.1	174.9	176.6	176.3	-147.2	0	0	112	V420 Q421 Y423 M441 K499	V420-E439 HydrophobicContact CG1-CB 4.13Å; Q421-E439 HydrophobicContact CB-CB 4.12Å; Q421-E439 PolarHBondContact N-OE2 2.66Å; Q421-E439 PolarHBondContact O-N 3.12Å; Y423-E439 HydrophobicContact CE2-CB 4.2Å; E439-M441 HydrophobicContact CG-SD 4.03Å; E439-K499 IonicContact OE1-NZ 3.55Å; E439-K499 PolarHBondContact OE1-NZ 2.96Å; E439-K499 IonicContact OE2-NZ 3.76Å; E439-K499 PolarHBondContact OE2-NZ 3.38Å
440	Y	96.8	Very high	94.9	Very high	44 Å²	44	42 Å²	42	17%	0.173	22%	0.215	C	C	.	.			trans	-74.9	126.4	172.6	-179.9	-140	0	0	0	110.6	L363 L373 E382 M438 P442	L363-Y440 HydrophobicContact CD1-CD2 3.75Å; L363-Y440 HydrophobicContact CD1-CE2 3.59Å; L363-Y440 HydrophobicContact CD2-CE2 3.82Å; L363-Y440 HydrophobicContact CG-CE2 4.37Å; L373-Y440 HydrophobicContact CD1-CD1 3.57Å; L373-Y440 HydrophobicContact CD1-CD2 4.06Å; L373-Y440 HydrophobicContact CD1-CE1 3.61Å; L373-Y440 HydrophobicContact CD1-CE2 4.14Å; L373-Y440 HydrophobicContact CD1-CG 3.82Å; E382-Y440 HydrophobicContact CB-CD1 3.99Å; M438-Y440 PolarHBondContact O-N 3Å; Y440-P442 HydrophobicContact CD1-CB 4.48Å; Y440-P442 HydrophobicContact CE1-CB 3.9Å; Y440-P442 WeakPolarHBondContact O-CD 3.5Å
441	M	97.1	Very high	95.3	Very high	11 Å²	11	42.5 Å²	42.5	5%	0.054	22%	0.215	C	C	.	.			trans	-111.1	92.8	179.5	-63.2	-63.6	-67.6	0	0	108.9	V420 E439 G443 G444 L491 R492 D493 K499	V420-M441 HydrophobicContact CG2-CG 4.13Å; E439-M441 HydrophobicContact CG-SD 4.03Å; M441-G443 PolarHBondContact O-N 2.66Å; M441-G444 PolarHBondContact O-N 3.04Å; M441-L491 HydrophobicContact CB-CB 3.62Å; M441-L491 HydrophobicContact CB-CD1 4.1Å; M441-L491 HydrophobicContact CE-CB 4.33Å; M441-L491 WeakPolarHBondContact CE-O 3.41Å; M441-L491 HydrophobicContact CG-CB 3.74Å; M441-L491 HydrophobicContact CG-CD1 4.03Å; M441-R492 CarbonylContact C-O 3.06Å; M441-D493 HydrophobicContact CE-CB 3.97Å; M441-K499 HydrophobicContact CE-CB 3.94Å; M441-K499 HydrophobicContact CE-CD 3.83Å; M441-K499 HydrophobicContact CE-CG 3.64Å; M441-K499 HydrophobicContact SD-CD 3.99Å; M441-K499 HydrophobicContact SD-CG 4.44Å
442	P	95.6	Very high	95.6	Very high	66 Å²	66	39.1 Å²	39.1	43%	0.429	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-15.6	-165.2	26.4	-36.2	0	0	0	114.8	Y440 G444	Y440-P442 HydrophobicContact CD1-CB 4.48Å; Y440-P442 HydrophobicContact CE1-CB 3.9Å; Y440-P442 WeakPolarHBondContact O-CD 3.5Å; P442-G444 VanDerWaalsContact C-N 3.27Å; P442-G444 PolarHBondContact O-N 2.78Å
443	G	95.6	Very high	95.9	Very high	21 Å²	21	44.4 Å²	44.4	22%	0.216	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-1.7	176	0	0	0	0	0	114.6	M441 R492	M441-G443 PolarHBondContact O-N 2.66Å; G443-R492 VanDerWaalsContact CA-O 3.28Å; G443-R492 WeakPolarHBondContact CA-O 3.37Å; G443-R492 PolarHBondContact N-O 2.72Å; G443-R492 VanDerWaalsContact O-CZ 3.27Å; G443-R492 PolarHBondContact O-NE 3.07Å; G443-R492 PolarHBondContact O-NH2 3.05Å
444	G	95.5	Very high	96.1	Very high	25 Å²	25	44.5 Å²	44.5	26%	0.258	23%	0.234	S	C	.	.			trans	67.6	-164.4	-176.1	0	0	0	0	0	112.7	M441 P442 L491 R492	M441-G444 PolarHBondContact O-N 3.04Å; P442-G444 VanDerWaalsContact C-N 3.27Å; P442-G444 PolarHBondContact O-N 2.78Å; G444-L491 CarbonylContact O-C 3.5Å; G444-L491 WeakPolarHBondContact O-CA 3.27Å; G444-R492 PolarHBondContact O-N 2.98Å
445	S	96.4	Very high	96.3	Very high	7 Å²	7	46.7 Å²	46.7	5%	0.049	25%	0.252	C	S	.	.	B	Isolated β-bridge	trans	-84.7	166.1	178.5	73.6	0	0	0	0	113.1	K447 D448 Q449 G487 A488 I490	S445-K447 PolarHBondContact O-N 2.88Å; S445-K447 PolarHBondContact OG-N 2.8Å; S445-D448 VanDerWaalsContact CB-OD2 3.3Å; S445-D448 WeakPolarHBondContact CB-OD2 3.2Å; S445-D448 PolarHBondContact N-OD2 2.92Å; S445-D448 PolarHBondContact O-N 2.7Å; S445-D448 PolarHBondContact OG-N 2.92Å; S445-D448 PolarHBondContact OG-OD2 3.48Å; S445-Q449 PolarHBondContact O-N 2.61Å; S445-Q449 VanDerWaalsContact O-N 3.12Å; S445-G487 WeakPolarHBondContact CB-O 3.4Å; S445-A488 WeakPolarHBondContact CB-O 3.38Å; S445-I490 CarbonylContact C-O 3.56Å; S445-I490 VanDerWaalsContact CA-O 3.3Å; S445-I490 WeakPolarHBondContact CA-O 3.4Å
446	I	97.6	Very high	96.4	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-61.7	-35.2	167.4	-71	179.2	0	0	0	110.7	D448 Q449 L450 L456 Y464 G487 I490 R492 V498 M555	I446-D448 VanDerWaalsContact C-N 3.29Å; I446-D448 PolarHBondContact O-N 3.03Å; I446-Q449 WeakPolarHBondContact O-CB 3.47Å; I446-Q449 PolarHBondContact O-N 3.02Å; I446-Q449 VanDerWaalsContact O-N 3.13Å; I446-L450 HydrophobicContact CG2-CD1 4.04Å; I446-L450 HydrophobicContact CG2-CG 4.29Å; I446-L450 WeakPolarHBondContact O-CG 3.27Å; I446-L450 PolarHBondContact O-N 3.35Å; I446-L456 HydrophobicContact CG2-CD1 4.45Å; I446-Y464 HydrophobicContact CD1-CD2 3.67Å; I446-Y464 HydrophobicContact CD1-CE2 4.24Å; I446-Y464 HydrophobicContact CD1-CG 4.35Å; I446-Y464 HydrophobicContact CG1-CD2 4.16Å; I446-Y464 HydrophobicContact CG1-CE2 4.24Å; I446-G487 CarbonylContact C-O 3.36Å; I446-G487 WeakPolarHBondContact CA-O 3.39Å; I446-G487 WeakPolarHBondContact CB-O 3.4Å; I446-G487 PolarHBondContact N-O 3.49Å; I446-I490 HydrophobicContact CD1-CB 3.91Å; I446-I490 HydrophobicContact CD1-CD1 4.5Å; I446-I490 HydrophobicContact CD1-CG2 3.4Å; I446-I490 HydrophobicContact CG1-CB 4.3Å; I446-I490 HydrophobicContact CG1-CG2 3.98Å; I446-I490 PolarHBondContact N-O 3.07Å; I446-R492 HydrophobicContact CG1-CG 4.34Å; I446-V498 HydrophobicContact CD1-CG1 4.33Å; I446-M555 HydrophobicContact CD1-SD 3.9Å; I446-M555 HydrophobicContact CG2-CG 3.83Å; I446-M555 HydrophobicContact CG2-SD 4.41Å
447	K	95.7	Very high	96.4	Very high	120 Å²	120	51.3 Å²	51.3	52%	0.522	28%	0.279	S	S	.	.	H	α-helix	trans	-61.2	-37.9	174.4	178.3	177.9	176.7	-178.8	0	112.1	S445 K451 G487 A488	S445-K447 PolarHBondContact O-N 2.88Å; S445-K447 PolarHBondContact OG-N 2.8Å; K447-K451 WeakPolarHBondContact O-CB 3.42Å; K447-K451 PolarHBondContact O-N 2.64Å; K447-G487 PolarHBondContact N-O 3.25Å; K447-A488 HydrophobicContact CB-CB 4.17Å; K447-A488 HydrophobicContact CD-CB 3.8Å
448	D	95.2	Very high	96.4	Very high	85 Å²	85	52.6 Å²	52.6	46%	0.455	29%	0.286	S	S	.	.	H	α-helix	trans	-69.1	-36.1	174.9	-56.5	-53	0	0	0	111.5	S445 I446 A452	S445-D448 VanDerWaalsContact CB-OD2 3.3Å; S445-D448 WeakPolarHBondContact CB-OD2 3.2Å; S445-D448 PolarHBondContact N-OD2 2.92Å; S445-D448 PolarHBondContact O-N 2.7Å; S445-D448 PolarHBondContact OG-N 2.92Å; S445-D448 PolarHBondContact OG-OD2 3.48Å; I446-D448 VanDerWaalsContact C-N 3.29Å; I446-D448 PolarHBondContact O-N 3.03Å; D448-A452 VanDerWaalsContact O-CB 3.28Å; D448-A452 WeakPolarHBondContact O-CB 3.31Å; D448-A452 PolarHBondContact O-N 3.02Å; D448-A452 VanDerWaalsContact O-N 3.09Å
449	Q	96.6	Very high	96.3	Very high	25 Å²	25	56 Å²	56	12%	0.117	30%	0.304	C	S	.	.	H	α-helix	trans	-62.1	-50.4	172.2	-176.4	176	-6.4	0	0	111.8	S445 I446 K451 A452 Y453 L456 Y464	S445-Q449 PolarHBondContact O-N 2.61Å; S445-Q449 VanDerWaalsContact O-N 3.12Å; I446-Q449 WeakPolarHBondContact O-CB 3.47Å; I446-Q449 PolarHBondContact O-N 3.02Å; I446-Q449 VanDerWaalsContact O-N 3.13Å; Q449-K451 VanDerWaalsContact C-N 3.32Å; Q449-K451 PolarHBondContact O-N 3.01Å; Q449-A452 PolarHBondContact O-N 3.29Å; Q449-A452 VanDerWaalsContact O-N 3.11Å; Q449-Y453 HydrophobicContact CG-CD2 4.1Å; Q449-Y453 WeakPolarHBondContact O-CD2 3.38Å; Q449-Y453 PolarHBondContact O-N 3.04Å; Q449-L456 HydrophobicContact CG-CD2 3.91Å; Q449-L456 VanDerWaalsContact NE2-CD2 3.3Å; Q449-Y464 PolarHBondContact OE1-OH 2.92Å
450	L	97.5	Very high	96.3	Very high	11 Å²	11	56.5 Å²	56.5	6%	0.058	31%	0.309	C	S	.	.	H	α-helix	trans	-59.6	-43.4	179.1	-70.2	170.8	0	0	0	111.2	I446 A452 G454 L456 E554 E558	I446-L450 HydrophobicContact CG2-CD1 4.04Å; I446-L450 HydrophobicContact CG2-CG 4.29Å; I446-L450 WeakPolarHBondContact O-CG 3.27Å; I446-L450 PolarHBondContact O-N 3.35Å; L450-A452 VanDerWaalsContact C-N 3.27Å; L450-A452 PolarHBondContact O-N 2.73Å; L450-G454 WeakPolarHBondContact CD2-O 3.15Å; L450-G454 WeakPolarHBondContact O-CA 3.49Å; L450-G454 PolarHBondContact O-N 3.49Å; L450-L456 HydrophobicContact CD2-CD2 4.04Å; L450-L456 HydrophobicContact CD2-CG 3.88Å; L450-E554 HydrophobicContact CD1-CG 3.81Å; L450-E554 WeakPolarHBondContact CD1-O 3.33Å; L450-E558 HydrophobicContact CD2-CG 4.4Å
451	K	96.3	Very high	96.4	Very high	190 Å²	190	54.4 Å²	54.4	83%	0.826	30%	0.301	S	S	*	.	H	α-helix	trans	-62.7	-30.6	175.8	-175.4	-180	175.3	-172.6	0	113.4	K447 Q449	K447-K451 WeakPolarHBondContact O-CB 3.42Å; K447-K451 PolarHBondContact O-N 2.64Å; Q449-K451 VanDerWaalsContact C-N 3.32Å; Q449-K451 PolarHBondContact O-N 3.01Å
452	A	96.3	Very high	96.4	Very high	67 Å²	67	55.4 Å²	55.4	55%	0.554	30%	0.304	S	S	*	.	H	α-helix	trans	-94.2	-26.9	-175.6	0	0	0	0	0	114.5	D448 Q449 L450	D448-A452 VanDerWaalsContact O-CB 3.28Å; D448-A452 WeakPolarHBondContact O-CB 3.31Å; D448-A452 PolarHBondContact O-N 3.02Å; D448-A452 VanDerWaalsContact O-N 3.09Å; Q449-A452 PolarHBondContact O-N 3.29Å; Q449-A452 VanDerWaalsContact O-N 3.11Å; L450-A452 VanDerWaalsContact C-N 3.27Å; L450-A452 PolarHBondContact O-N 2.73Å
453	Y	96	Very high	96.4	Very high	188 Å²	188	56.1 Å²	56.1	74%	0.737	30%	0.301	S	S	*	.	H	α-helix	trans	-132.9	-3.3	-169.9	-58.7	-76.6	0	0	0	114.8	Q449	Q449-Y453 HydrophobicContact CG-CD2 4.1Å; Q449-Y453 WeakPolarHBondContact O-CD2 3.38Å; Q449-Y453 PolarHBondContact O-N 3.04Å
454	G	97.3	Very high	96.6	Very high	16 Å²	16	55.7 Å²	55.7	17%	0.165	29%	0.293	C	S	.	.			trans	75.5	-164.7	-174.8	0	0	0	0	0	113.6	L450 E558	L450-G454 WeakPolarHBondContact CD2-O 3.15Å; L450-G454 WeakPolarHBondContact O-CA 3.49Å; L450-G454 PolarHBondContact O-N 3.49Å; G454-E558 WeakPolarHBondContact CA-OE1 3.46Å
455	A	97.1	Very high	96.7	Very high	47 Å²	47	54.5 Å²	54.5	39%	0.388	28%	0.28	S	S	.	.	S	Bend	trans	-56.9	142.2	-174.5	0	0	0	0	0	113.4	E558	A455-E558 HydrophobicContact CB-CG 3.98Å; A455-E558 PolarHBondContact N-OE1 2.75Å
456	L	97.3	Very high	96.8	Very high	12 Å²	12	58 Å²	58	6%	0.063	29%	0.293	C	S	.	.	P	Polyproline II helix	trans	-81	137.9	176	-49.9	-168.6	0	0	0	110.2	I446 Q449 L450 V460 Y464 M555	I446-L456 HydrophobicContact CG2-CD1 4.45Å; Q449-L456 HydrophobicContact CG-CD2 3.91Å; Q449-L456 VanDerWaalsContact NE2-CD2 3.3Å; L450-L456 HydrophobicContact CD2-CD2 4.04Å; L450-L456 HydrophobicContact CD2-CG 3.88Å; L456-V460 HydrophobicContact CB-CB 4.37Å; L456-V460 HydrophobicContact CB-CG1 4.35Å; L456-V460 HydrophobicContact CD1-CG1 4.07Å; L456-Y464 HydrophobicContact CD1-CD2 3.75Å; L456-Y464 HydrophobicContact CD1-CE2 3.78Å; L456-M555 HydrophobicContact CB-CB 4.46Å; L456-M555 WeakPolarHBondContact CB-O 3.27Å; L456-M555 HydrophobicContact CD1-CB 4.03Å; L456-M555 HydrophobicContact CD1-CG 3.79Å; L456-M555 HydrophobicContact CD1-SD 3.95Å; L456-M555 HydrophobicContact CG-CB 4.3Å; L456-M555 PolarHBondContact N-O 3.5Å
457	T	96.3	Very high	96.8	Very high	94 Å²	94	58.6 Å²	58.6	58%	0.577	30%	0.295	S	S	*	.	P	Polyproline II helix	trans	-62.8	150.1	171.6	65.2	0	0	0	0	110.4	N459 V460 T461	T457-N459 PolarHBondContact O-N 3.27Å; T457-V460 PolarHBondContact O-N 2.94Å; T457-T461 PolarHBondContact O-N 2.81Å; T457-T461 PolarHBondContact O-OG1 3.12Å
458	E	95.9	Very high	97	Very high	28 Å²	28	53 Å²	53	13%	0.131	27%	0.271	C	S	.	.	H	α-helix	trans	-54	-35.8	-175.3	-169.4	-175.5	111.5	0	0	112.7	T461 R462 L556 S588 T591 F616	E458-T461 PolarHBondContact O-N 2.89Å; E458-R462 WeakPolarHBondContact O-CB 3.28Å; E458-R462 PolarHBondContact O-N 2.88Å; E458-R462 IonicContact OE1-CZ 3.9Å; E458-R462 IonicContact OE1-NH2 2.8Å; E458-R462 PolarHBondContact OE1-NH2 2.86Å; E458-L556 HydrophobicContact CB-CD2 4.43Å; E458-S588 VanDerWaalsContact CD-OG 3.27Å; E458-S588 WeakPolarHBondContact OE1-CB 3.41Å; E458-S588 PolarHBondContact OE1-OG 2.91Å; E458-S588 WeakPolarHBondContact OE2-CB 3.24Å; E458-S588 PolarHBondContact OE2-N 3.33Å; E458-S588 PolarHBondContact OE2-OG 2.83Å; E458-S588 VanDerWaalsContact OE2-OG 3.12Å; E458-T591 PolarHBondContact OE1-OG1 2.83Å; E458-T591 PolarHBondContact OE2-OG1 3.48Å; E458-F616 HydrophobicContact CG-CE2 3.97Å
459	N	95.1	Very high	97.1	Very high	83 Å²	83	49 Å²	49	44%	0.444	25%	0.25	S	C	.	.	H	α-helix	trans	-65.5	-37.1	176.9	-172	28.5	0	0	0	113.2	T457 K463	T457-N459 PolarHBondContact O-N 3.27Å; N459-K463 PolarHBondContact O-N 2.85Å
460	V	96.1	Very high	97.2	Very high	47 Å²	47	49.7 Å²	49.7	29%	0.285	25%	0.253	S	S	.	.	H	α-helix	trans	-72.1	-47.1	175.1	178.3	0	0	0	0	110.1	L456 T457 R462 K463 Y464	L456-V460 HydrophobicContact CB-CB 4.37Å; L456-V460 HydrophobicContact CB-CG1 4.35Å; L456-V460 HydrophobicContact CD1-CG1 4.07Å; T457-V460 PolarHBondContact O-N 2.94Å; V460-R462 PolarHBondContact O-N 3.14Å; V460-K463 PolarHBondContact O-N 3.33Å; V460-Y464 HydrophobicContact CG1-CD2 4.11Å; V460-Y464 HydrophobicContact CG1-CE1 4.18Å; V460-Y464 HydrophobicContact CG1-CE2 3.77Å; V460-Y464 HydrophobicContact CG1-CG 4.49Å; V460-Y464 PolarHBondContact O-N 3.07Å
461	T	97.6	Very high	97.3	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-51.5	-44.5	172	-61.8	0	0	0	0	111.1	T457 E458 Y464 T465 V552 M555 L556 F616	T457-T461 PolarHBondContact O-N 2.81Å; T457-T461 PolarHBondContact O-OG1 3.12Å; E458-T461 PolarHBondContact O-N 2.89Å; T461-Y464 PolarHBondContact O-N 2.81Å; T461-T465 WeakPolarHBondContact O-CB 3.18Å; T461-T465 PolarHBondContact O-N 3.43Å; T461-T465 PolarHBondContact O-OG1 2.84Å; T461-V552 HydrophobicContact CG2-CG1 3.91Å; T461-M555 HydrophobicContact CG2-CB 3.95Å; T461-M555 HydrophobicContact CG2-CE 4.01Å; T461-M555 HydrophobicContact CG2-SD 4.49Å; T461-L556 HydrophobicContact CG2-CD1 4.22Å; T461-L556 HydrophobicContact CG2-CD2 3.94Å; T461-L556 HydrophobicContact CG2-CG 3.82Å; T461-F616 HydrophobicContact CG2-CZ 4.31Å
462	R	97.2	Very high	97.4	Very high	32 Å²	32	40.1 Å²	40.1	12%	0.121	21%	0.211	C	C	.	.	H	α-helix	trans	-62	-51.8	178.2	-179.1	-178.7	-51.1	151.1	6.5	112.5	E458 V460 Y464 T465 R466 F616 Y619 H620	E458-R462 WeakPolarHBondContact O-CB 3.28Å; E458-R462 PolarHBondContact O-N 2.88Å; E458-R462 IonicContact OE1-CZ 3.9Å; E458-R462 IonicContact OE1-NH2 2.8Å; E458-R462 PolarHBondContact OE1-NH2 2.86Å; V460-R462 PolarHBondContact O-N 3.14Å; R462-Y464 VanDerWaalsContact C-N 3.29Å; R462-Y464 PolarHBondContact O-N 3.15Å; R462-T465 PolarHBondContact O-N 3.04Å; R462-R466 PolarHBondContact O-N 2.89Å; R462-F616 HydrophobicContact CB-CE2 3.98Å; R462-F616 HydrophobicContact CB-CZ 4.08Å; R462-F616 WeakPolarHBondContact CD-O 3.45Å; R462-F616 HydrophobicContact CG-CD2 4.5Å; R462-F616 HydrophobicContact CG-CE2 4.25Å; R462-F616 WeakPolarHBondContact CG-O 3.43Å; R462-F616 PolarHBondContact NE-O 2.92Å; R462-Y619 WeakPolarHBondContact CD-O 3.29Å; R462-Y619 PolarHBondContact NH1-O 3.31Å; R462-H620 PolarHBondContact NH1-OXT 3.41Å
463	K	96.9	Very high	97.5	Very high	81 Å²	81	40.1 Å²	40.1	35%	0.352	20%	0.199	S	C	.	.	H	α-helix	trans	-54	-49	175	-174.3	-164.5	174.2	-169	0	110.3	N459 V460 R466 Q467 G496 N497	N459-K463 PolarHBondContact O-N 2.85Å; V460-K463 PolarHBondContact O-N 3.33Å; K463-R466 PolarHBondContact O-N 3.1Å; K463-Q467 WeakPolarHBondContact O-CG 3.4Å; K463-Q467 PolarHBondContact O-N 2.85Å; K463-Q467 VanDerWaalsContact O-N 3.13Å; K463-G496 PolarHBondContact NZ-O 2.92Å; K463-N497 WeakPolarHBondContact CE-OD1 3.38Å; K463-N497 PolarHBondContact NZ-OD1 3.06Å
464	Y	98.3	Very high	97.5	Very high	11 Å²	11	33.4 Å²	33.4	4%	0.043	17%	0.173	C	C	.	.	H	α-helix	trans	-66.8	-41.9	-178.7	-69.1	-1.6	0	0	0	111.8	I446 Q449 L456 V460 T461 R462 R466 Q467 I468 G496 V498 M555	I446-Y464 HydrophobicContact CD1-CD2 3.67Å; I446-Y464 HydrophobicContact CD1-CE2 4.24Å; I446-Y464 HydrophobicContact CD1-CG 4.35Å; I446-Y464 HydrophobicContact CG1-CD2 4.16Å; I446-Y464 HydrophobicContact CG1-CE2 4.24Å; Q449-Y464 PolarHBondContact OE1-OH 2.92Å; L456-Y464 HydrophobicContact CD1-CD2 3.75Å; L456-Y464 HydrophobicContact CD1-CE2 3.78Å; V460-Y464 HydrophobicContact CG1-CD2 4.11Å; V460-Y464 HydrophobicContact CG1-CE1 4.18Å; V460-Y464 HydrophobicContact CG1-CE2 3.77Å; V460-Y464 HydrophobicContact CG1-CG 4.49Å; V460-Y464 PolarHBondContact O-N 3.07Å; T461-Y464 PolarHBondContact O-N 2.81Å; R462-Y464 VanDerWaalsContact C-N 3.29Å; R462-Y464 PolarHBondContact O-N 3.15Å; Y464-R466 VanDerWaalsContact C-N 3.32Å; Y464-R466 PolarHBondContact O-N 2.89Å; Y464-Q467 PolarHBondContact O-N 2.87Å; Y464-I468 WeakPolarHBondContact O-CB 3.23Å; Y464-I468 VanDerWaalsContact O-CD1 3.32Å; Y464-I468 WeakPolarHBondContact O-CD1 3.4Å; Y464-I468 WeakPolarHBondContact O-CG1 3.4Å; Y464-I468 PolarHBondContact O-N 3.12Å; Y464-G496 WeakPolarHBondContact CE1-O 3.16Å; Y464-V498 HydrophobicContact CD1-CG1 3.5Å; Y464-V498 VanDerWaalsContact CD1-CG1 3.5Å; Y464-V498 HydrophobicContact CD1-CG2 4.29Å; Y464-V498 HydrophobicContact CD2-CG1 4Å; Y464-V498 HydrophobicContact CE1-CG1 3.55Å; Y464-V498 HydrophobicContact CE2-CG1 4.03Å; Y464-V498 HydrophobicContact CG-CG1 3.73Å; Y464-V498 HydrophobicContact CG-CG2 4.36Å; Y464-M555 HydrophobicContact CD2-SD 3.88Å; Y464-M555 HydrophobicContact CG-SD 4.35Å
465	T	98.6	Very high	97.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-58.1	-44.9	176.6	-53.4	0	0	0	0	111.2	T461 R462 I468 L469 V548 V552 F594 F616 V617	T461-T465 WeakPolarHBondContact O-CB 3.18Å; T461-T465 PolarHBondContact O-N 3.43Å; T461-T465 PolarHBondContact O-OG1 2.84Å; R462-T465 PolarHBondContact O-N 3.04Å; T465-I468 PolarHBondContact O-N 3.28Å; T465-L469 HydrophobicContact CG2-CD1 4.15Å; T465-L469 HydrophobicContact CG2-CG 4.43Å; T465-L469 WeakPolarHBondContact O-CB 3.21Å; T465-L469 VanDerWaalsContact O-CG 3.3Å; T465-L469 WeakPolarHBondContact O-CG 3.31Å; T465-L469 PolarHBondContact O-N 3.45Å; T465-V548 HydrophobicContact CG2-CG1 4.49Å; T465-V552 HydrophobicContact CG2-CG2 3.7Å; T465-V552 VanDerWaalsContact OG1-CG2 3.29Å; T465-V552 WeakPolarHBondContact OG1-CG2 3.44Å; T465-F594 HydrophobicContact CG2-CE1 3.87Å; T465-F594 HydrophobicContact CG2-CE2 4.41Å; T465-F594 HydrophobicContact CG2-CZ 3.55Å; T465-F616 HydrophobicContact CG2-CD1 4.49Å; T465-F616 HydrophobicContact CG2-CE1 3.98Å; T465-V617 HydrophobicContact CG2-CG1 3.92Å
466	R	98.3	Very high	97.3	Very high	82 Å²	82	31.1 Å²	31.1	31%	0.309	15%	0.15	S	C	.	.	H	α-helix	trans	-58.7	-50.6	175.6	-169.7	-168.6	169.1	79	15.8	111.4	R462 K463 Y464 I468 L469 E470 L612 V617	R462-R466 PolarHBondContact O-N 2.89Å; K463-R466 PolarHBondContact O-N 3.1Å; Y464-R466 VanDerWaalsContact C-N 3.32Å; Y464-R466 PolarHBondContact O-N 2.89Å; R466-I468 VanDerWaalsContact C-N 3.33Å; R466-I468 PolarHBondContact O-N 3.31Å; R466-L469 PolarHBondContact O-N 3.44Å; R466-E470 IonicContact CZ-OE1 2.68Å; R466-E470 IonicContact NE-OE1 2.71Å; R466-E470 PolarHBondContact NE-OE1 3.24Å; R466-E470 IonicContact NH2-OE1 3.2Å; R466-E470 PolarHBondContact NH2-OE1 3.02Å; R466-E470 WeakPolarHBondContact O-CG 3.45Å; R466-E470 PolarHBondContact O-N 2.7Å; R466-L612 HydrophobicContact CG-CD2 4.19Å; R466-V617 HydrophobicContact CB-CB 4.08Å; R466-V617 HydrophobicContact CB-CG1 4.45Å; R466-V617 HydrophobicContact CG-CB 4.32Å; R466-V617 PolarHBondContact NH1-O 2.74Å; R466-V617 VanDerWaalsContact NH1-O 3.07Å
467	Q	98.4	Very high	97.2	Very high	12 Å²	12	34 Å²	34	6%	0.056	17%	0.171	C	C	.	.	H	α-helix	trans	-63.8	-35.5	-179.6	-73.1	-169.6	-22.8	0	0	112.7	R418 K463 Y464 G471 N497 V498	R418-Q467 WeakPolarHBondContact CB-O 3.4Å; R418-Q467 WeakPolarHBondContact CD-O 3.42Å; R418-Q467 VanDerWaalsContact CG-O 3.27Å; R418-Q467 WeakPolarHBondContact CG-O 3.41Å; K463-Q467 WeakPolarHBondContact O-CG 3.4Å; K463-Q467 PolarHBondContact O-N 2.85Å; K463-Q467 VanDerWaalsContact O-N 3.13Å; Y464-Q467 PolarHBondContact O-N 2.87Å; Q467-G471 PolarHBondContact O-N 3.03Å; Q467-N497 PolarHBondContact NE2-OD1 3.27Å; Q467-N497 VanDerWaalsContact OE1-CA 3.32Å; Q467-V498 HydrophobicContact CB-CG2 3.6Å
468	I	98.6	Very high	96.9	Very high	3 Å²	3	33.2 Å²	33.2	2%	0.015	16%	0.163	C	C	.	.	H	α-helix	trans	-64.2	-50.4	171.5	-70.3	158.4	0	0	0	110.3	Y464 T465 R466 E470 G471 V472 I490 V498 L500 V548 M555	Y464-I468 WeakPolarHBondContact O-CB 3.23Å; Y464-I468 VanDerWaalsContact O-CD1 3.32Å; Y464-I468 WeakPolarHBondContact O-CD1 3.4Å; Y464-I468 WeakPolarHBondContact O-CG1 3.4Å; Y464-I468 PolarHBondContact O-N 3.12Å; T465-I468 PolarHBondContact O-N 3.28Å; R466-I468 VanDerWaalsContact C-N 3.33Å; R466-I468 PolarHBondContact O-N 3.31Å; I468-E470 PolarHBondContact O-N 2.88Å; I468-G471 CarbonylContact O-C 3.56Å; I468-G471 WeakPolarHBondContact O-CA 3.48Å; I468-G471 PolarHBondContact O-N 2.94Å; I468-G471 VanDerWaalsContact O-N 3.07Å; I468-V472 HydrophobicContact CG2-CG2 4.24Å; I468-V472 WeakPolarHBondContact O-CG2 3.28Å; I468-V472 PolarHBondContact O-N 2.8Å; I468-I490 HydrophobicContact CD1-CD1 3.65Å; I468-I490 HydrophobicContact CD1-CG1 4.45Å; I468-I490 HydrophobicContact CD1-CG2 4.37Å; I468-I490 HydrophobicContact CG1-CD1 3.97Å; I468-I490 HydrophobicContact CG1-CG1 4.3Å; I468-I490 HydrophobicContact CG1-CG2 4.18Å; I468-V498 HydrophobicContact CG1-CG2 4.17Å; I468-L500 HydrophobicContact CG2-CD2 4.41Å; I468-V548 HydrophobicContact CG2-CG1 4.08Å; I468-V548 HydrophobicContact CG2-CG2 3.69Å; I468-M555 HydrophobicContact CD1-CE 4.09Å
469	L	98.6	Very high	96.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-62.6	-38.8	179.6	-72.2	171.7	0	0	0	112.9	T465 R466 G471 V472 H473 V548 F594 A608 L611 L612 V617	T465-L469 HydrophobicContact CG2-CD1 4.15Å; T465-L469 HydrophobicContact CG2-CG 4.43Å; T465-L469 WeakPolarHBondContact O-CB 3.21Å; T465-L469 VanDerWaalsContact O-CG 3.3Å; T465-L469 WeakPolarHBondContact O-CG 3.31Å; T465-L469 PolarHBondContact O-N 3.45Å; R466-L469 PolarHBondContact O-N 3.44Å; L469-G471 VanDerWaalsContact C-N 3.28Å; L469-G471 PolarHBondContact O-N 3.03Å; L469-V472 PolarHBondContact O-N 2.85Å; L469-H473 VanDerWaalsContact O-CB 3.28Å; L469-H473 WeakPolarHBondContact O-CB 3.37Å; L469-H473 PolarHBondContact O-N 3.31Å; L469-V548 HydrophobicContact CD2-CG1 4.17Å; L469-F594 HydrophobicContact CD1-CE2 4.06Å; L469-F594 HydrophobicContact CD1-CZ 4.03Å; L469-A608 HydrophobicContact CD2-CB 4.21Å; L469-L611 HydrophobicContact CD1-CB 3.77Å; L469-L611 HydrophobicContact CD2-CB 3.94Å; L469-L611 HydrophobicContact CD2-CD1 3.91Å; L469-L612 HydrophobicContact CB-CD2 3.64Å; L469-L612 HydrophobicContact CB-CG 3.84Å; L469-L612 HydrophobicContact CD1-CD2 4.43Å; L469-V617 HydrophobicContact CD1-CG1 4.19Å; L469-V617 HydrophobicContact CD1-CG2 4.47Å
470	E	98.6	Very high	96.3	Very high	39 Å²	39	35.2 Å²	35.2	18%	0.182	17%	0.172	C	C	.	.	H	α-helix	trans	-55.5	-43.7	171.2	-77.8	167.3	-174.1	0	0	110.6	H416 R418 R466 I468 Y474 L612	H416-E470 PolarHBondContact CE1-O 2.7Å; H416-E470 VanDerWaalsContact CE1-O 3.29Å; R418-E470 HydrophobicContact CG-CB 3.75Å; R418-E470 IonicContact CZ-OE2 2.61Å; R418-E470 IonicContact NE-OE2 3.19Å; R418-E470 PolarHBondContact NE-OE2 2.84Å; R418-E470 IonicContact NH2-OE2 3.11Å; R466-E470 IonicContact CZ-OE1 2.68Å; R466-E470 IonicContact NE-OE1 2.71Å; R466-E470 PolarHBondContact NE-OE1 3.24Å; R466-E470 IonicContact NH2-OE1 3.2Å; R466-E470 PolarHBondContact NH2-OE1 3.02Å; R466-E470 WeakPolarHBondContact O-CG 3.45Å; R466-E470 PolarHBondContact O-N 2.7Å; I468-E470 PolarHBondContact O-N 2.88Å; E470-Y474 PolarHBondContact O-N 3.36Å; E470-L612 HydrophobicContact CG-CD2 3.87Å
471	G	98.1	Very high	96	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-68.7	-45.4	174.5	0	0	0	0	0	114.2	Q467 I468 L469 H473 Y474 L475	Q467-G471 PolarHBondContact O-N 3.03Å; I468-G471 CarbonylContact O-C 3.56Å; I468-G471 WeakPolarHBondContact O-CA 3.48Å; I468-G471 PolarHBondContact O-N 2.94Å; I468-G471 VanDerWaalsContact O-N 3.07Å; L469-G471 VanDerWaalsContact C-N 3.28Å; L469-G471 PolarHBondContact O-N 3.03Å; G471-H473 PolarHBondContact O-N 3.2Å; G471-Y474 PolarHBondContact O-N 3.19Å; G471-L475 PolarHBondContact O-N 3.07Å
472	V	98.2	Very high	95.7	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-63.3	-41.8	178.9	176.7	0	0	0	0	111.1	I468 L469 Y474 L475 H476 I485 L500 D544 I545 V548 A608	I468-V472 HydrophobicContact CG2-CG2 4.24Å; I468-V472 WeakPolarHBondContact O-CG2 3.28Å; I468-V472 PolarHBondContact O-N 2.8Å; L469-V472 PolarHBondContact O-N 2.85Å; V472-Y474 PolarHBondContact O-N 3.37Å; V472-L475 PolarHBondContact O-N 2.95Å; V472-H476 WeakPolarHBondContact CG1-CE1 3.36Å; V472-H476 WeakPolarHBondContact CG1-NE2 3.46Å; V472-H476 WeakPolarHBondContact O-CB 3.42Å; V472-H476 PolarHBondContact O-CD2 3.06Å; V472-H476 VanDerWaalsContact O-CG 3.25Å; V472-H476 PolarHBondContact O-N 3.11Å; V472-I485 HydrophobicContact CG2-CD1 3.55Å; V472-L500 HydrophobicContact CG2-CD1 3.81Å; V472-D544 HydrophobicContact CG1-CB 4.32Å; V472-I545 HydrophobicContact CG1-CD1 3.97Å; V472-V548 HydrophobicContact CG2-CG2 3.97Å; V472-A608 HydrophobicContact CB-CB 4.24Å; V472-A608 HydrophobicContact CG1-CB 4.03Å
473	H	98.2	Very high	95.3	Very high	67 Å²	67	36.6 Å²	36.6	31%	0.31	17%	0.174	S	C	.	.	H	α-helix	trans	-56.8	-49	173.2	173.1	80.4	0	0	0	111.3	L469 G471 L475 H476 S477 A608 L612	L469-H473 VanDerWaalsContact O-CB 3.28Å; L469-H473 WeakPolarHBondContact O-CB 3.37Å; L469-H473 PolarHBondContact O-N 3.31Å; G471-H473 PolarHBondContact O-N 3.2Å; H473-L475 PolarHBondContact O-N 3.18Å; H473-H476 PolarHBondContact O-N 3.12Å; H473-S477 PolarHBondContact NE2-OG 3.04Å; H473-S477 WeakPolarHBondContact O-CB 3.5Å; H473-S477 PolarHBondContact O-N 3.48Å; H473-S477 PolarHBondContact O-OG 2.86Å; H473-S477 VanDerWaalsContact O-OG 3.12Å; H473-A608 HydrophobicContact CB-CB 3.93Å; H473-L612 HydrophobicContact CB-CD1 4.12Å
474	Y	97.8	Very high	94.9	Very high	48 Å²	48	34.4 Å²	34.4	19%	0.188	17%	0.167	C	C	.	.	H	α-helix	trans	-59.3	-45.5	178.2	177	-90.7	0	0	0	112.4	L414 L415 H416 I419 E470 G471 V472 N478	L414-Y474 HydrophobicContact CB-CE1 4.11Å; L414-Y474 HydrophobicContact CD2-CE1 4Å; L415-Y474 PolarHBondContact N-OH 3.15Å; L415-Y474 PolarHBondContact O-OH 2.8Å; H416-Y474 HydrophobicContact CB-CD1 3.79Å; H416-Y474 HydrophobicContact CB-CD2 3.91Å; H416-Y474 HydrophobicContact CB-CE1 3.82Å; H416-Y474 HydrophobicContact CB-CE2 3.94Å; H416-Y474 HydrophobicContact CB-CG 3.83Å; H416-Y474 AromaticContact CD2-CD2 3.67Å; H416-Y474 AromaticContact CD2-CG 3.96Å; H416-Y474 AromaticContact CG-CD2 3.76Å; H416-Y474 AromaticContact CG-CG 3.66Å; H416-Y474 AromaticContact ND1-CG 3.96Å; I419-Y474 HydrophobicContact CG1-CD1 3.88Å; I419-Y474 HydrophobicContact CG1-CE1 4.36Å; E470-Y474 PolarHBondContact O-N 3.36Å; G471-Y474 PolarHBondContact O-N 3.19Å; V472-Y474 PolarHBondContact O-N 3.37Å; Y474-N478 PolarHBondContact O-N 2.96Å; Y474-N478 VanDerWaalsContact O-N 3.15Å; Y474-N478 PolarHBondContact O-ND2 3.14Å
475	L	95.1	Very high	94.7	Very high	1 Å²	1	34 Å²	34	1%	0.005	17%	0.165	C	C	.	.	H	α-helix	trans	-61.8	-46.6	175.8	-68.8	177	0	0	0	111.7	L414 I419 G471 V472 H473 S477 N478 M479 I480 H482 L500 F503	L414-L475 HydrophobicContact CD1-CD2 4.15Å; I419-L475 HydrophobicContact CD1-CD1 3.94Å; I419-L475 HydrophobicContact CD1-CD2 3.97Å; I419-L475 HydrophobicContact CD1-CG 3.71Å; G471-L475 PolarHBondContact O-N 3.07Å; V472-L475 PolarHBondContact O-N 2.95Å; H473-L475 PolarHBondContact O-N 3.18Å; L475-S477 PolarHBondContact O-N 3.29Å; L475-N478 CarbonylContact O-C 3.53Å; L475-N478 WeakPolarHBondContact O-CA 3.4Å; L475-N478 PolarHBondContact O-N 3.44Å; L475-N478 VanDerWaalsContact O-N 3.08Å; L475-M479 PolarHBondContact O-N 3.28Å; L475-I480 CarbonylContact C-O 3.59Å; L475-I480 HydrophobicContact CB-CB 4.26Å; L475-I480 HydrophobicContact CB-CG2 4.39Å; L475-I480 HydrophobicContact CD2-CB 4.35Å; L475-I480 HydrophobicContact CD2-CD1 4.42Å; L475-I480 HydrophobicContact CD2-CG2 4.09Å; L475-I480 PolarHBondContact O-N 2.98Å; L475-H482 HydrophobicContact CD1-CB 4.22Å; L475-L500 HydrophobicContact CD1-CD1 4.23Å; L475-F503 HydrophobicContact CD1-CB 4.29Å; L475-F503 HydrophobicContact CD1-CG 4.39Å; L475-F503 HydrophobicContact CD2-CD2 4.16Å; L475-F503 HydrophobicContact CD2-CE2 4.36Å
476	H	94.8	Very high	94.6	Very high	13 Å²	13	35.5 Å²	35.5	6%	0.06	17%	0.172	C	C	.	.	H	α-helix	trans	-63.4	-41.1	-177.8	-74.8	-169.1	0	0	0	112.2	V472 H473 N478 M479 I480 R541 D544	V472-H476 WeakPolarHBondContact CG1-CE1 3.36Å; V472-H476 WeakPolarHBondContact CG1-NE2 3.46Å; V472-H476 WeakPolarHBondContact O-CB 3.42Å; V472-H476 PolarHBondContact O-CD2 3.06Å; V472-H476 VanDerWaalsContact O-CG 3.25Å; V472-H476 PolarHBondContact O-N 3.11Å; H473-H476 PolarHBondContact O-N 3.12Å; H476-N478 VanDerWaalsContact C-N 3.28Å; H476-N478 PolarHBondContact O-N 3.31Å; H476-M479 WeakPolarHBondContact O-CA 3.45Å; H476-M479 PolarHBondContact O-N 3.4Å; H476-I480 PolarHBondContact CD2-O 3.19Å; H476-I480 VanDerWaalsContact CD2-O 3.31Å; H476-R541 HydrophobicContact CB-CG 4.29Å; H476-R541 PolarHBondContact CE1-O 3.19Å; H476-R541 VanDerWaalsContact O-CZ 3.24Å; H476-R541 PolarHBondContact O-NE 3.35Å; H476-R541 PolarHBondContact O-NH2 3.31Å; H476-D544 IonicContact CD2-OD2 3.12Å; H476-D544 IonicContact CE1-OD2 2.71Å; H476-D544 IonicContact NE2-OD2 2.65Å; H476-D544 PolarHBondContact NE2-OD2 3.3Å
477	S	94.8	Very high	94.4	Very high	73 Å²	73	31.6 Å²	31.6	51%	0.51	16%	0.157	S	C	.	.	H	α-helix	trans	-63.8	-32.2	174	-66.2	0	0	0	0	112.3	H473 L475 M479	H473-S477 PolarHBondContact NE2-OG 3.04Å; H473-S477 WeakPolarHBondContact O-CB 3.5Å; H473-S477 PolarHBondContact O-N 3.48Å; H473-S477 PolarHBondContact O-OG 2.86Å; H473-S477 VanDerWaalsContact O-OG 3.12Å; L475-S477 PolarHBondContact O-N 3.29Å; S477-M479 PolarHBondContact O-N 2.58Å
478	N	90.3	Very high	94.2	Very high	77 Å²	77	32.5 Å²	32.5	41%	0.412	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	18.1	170.7	-73.2	-83.9	0	0	0	113.6	L414 Y474 L475 H476 I480	L414-N478 HydrophobicContact CD2-CB 4.27Å; Y474-N478 PolarHBondContact O-N 2.96Å; Y474-N478 VanDerWaalsContact O-N 3.15Å; Y474-N478 PolarHBondContact O-ND2 3.14Å; L475-N478 CarbonylContact O-C 3.53Å; L475-N478 WeakPolarHBondContact O-CA 3.4Å; L475-N478 PolarHBondContact O-N 3.44Å; L475-N478 VanDerWaalsContact O-N 3.08Å; H476-N478 VanDerWaalsContact C-N 3.28Å; H476-N478 PolarHBondContact O-N 3.31Å; N478-I480 HydrophobicContact CB-CD1 4.48Å; N478-I480 PolarHBondContact O-N 3.16Å; N478-I480 VanDerWaalsContact O-N 3.15Å
479	M	89	Confident	94	Very high	117 Å²	117	33.1 Å²	33.1	58%	0.576	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.6	8	-178.4	-55.7	-66.1	-64.4	0	0	115.9	L475 H476 S477 R541	L475-M479 PolarHBondContact O-N 3.28Å; H476-M479 WeakPolarHBondContact O-CA 3.45Å; H476-M479 PolarHBondContact O-N 3.4Å; S477-M479 PolarHBondContact O-N 2.58Å; M479-R541 PolarHBondContact SD-NH2 2.98Å
480	I	88.8	Confident	93.9	Very high	36 Å²	36	33.1 Å²	33.1	19%	0.185	17%	0.17	C	C	.	.			trans	-88.7	143.2	-179	-63.9	167.5	0	0	0	110.4	L411 L414 L475 H476 N478	L411-I480 HydrophobicContact CD2-CD1 4Å; L414-I480 HydrophobicContact CD1-CD1 3.6Å; L414-I480 HydrophobicContact CD2-CD1 4.09Å; L414-I480 HydrophobicContact CG-CD1 4.41Å; L475-I480 CarbonylContact C-O 3.59Å; L475-I480 HydrophobicContact CB-CB 4.26Å; L475-I480 HydrophobicContact CB-CG2 4.39Å; L475-I480 HydrophobicContact CD2-CB 4.35Å; L475-I480 HydrophobicContact CD2-CD1 4.42Å; L475-I480 HydrophobicContact CD2-CG2 4.09Å; L475-I480 PolarHBondContact O-N 2.98Å; H476-I480 PolarHBondContact CD2-O 3.19Å; H476-I480 VanDerWaalsContact CD2-O 3.31Å; N478-I480 HydrophobicContact CB-CD1 4.48Å; N478-I480 PolarHBondContact O-N 3.16Å; N478-I480 VanDerWaalsContact O-N 3.15Å
481	V	89.3	Confident	93.9	Very high	21 Å²	21	33.2 Å²	33.2	13%	0.127	17%	0.171	C	C	.	.			trans	-116.8	131.8	170.5	-178	0	0	0	0	107	R483 R541 D544	V481-R483 HydrophobicContact CB-CG 4.3Å; V481-R483 HydrophobicContact CG1-CG 3.83Å; V481-R541 HydrophobicContact CG2-CG 4.13Å; V481-D544 WeakPolarHBondContact CA-OD2 3.38Å; V481-D544 WeakPolarHBondContact CG1-OD2 3.47Å
482	H	91.8	Very high	93.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.179	C	C	.	.			trans	-77.1	-38.1	-172.7	-172	-34.8	0	0	0	112.5	L475 D484 I485 G501 F503 D544	L475-H482 HydrophobicContact CD1-CB 4.22Å; H482-D484 PolarHBondContact CE1-O 3.29Å; H482-D484 PolarHBondContact O-N 3.44Å; H482-I485 HydrophobicContact CB-CD1 3.98Å; H482-I485 HydrophobicContact CB-CG1 3.76Å; H482-G501 PolarHBondContact CE1-O 3.15Å; H482-G501 PolarHBondContact NE2-O 3.12Å; H482-F503 HydrophobicContact CB-CB 4.35Å; H482-D544 PolarHBondContact N-OD1 2.82Å; H482-D544 PolarHBondContact N-OD2 3.5Å
483	R	88.8	Confident	93.7	Very high	87 Å²	87	36.9 Å²	36.9	33%	0.328	19%	0.188	S	C	.	.	S	Bend	trans	66.1	-7.3	175.7	-49.3	-175.4	178.1	127.7	-2.7	117.3	V481 Y539 D544	V481-R483 HydrophobicContact CB-CG 4.3Å; V481-R483 HydrophobicContact CG1-CG 3.83Å; R483-Y539 HydrophobicContact CB-CD1 3.66Å; R483-Y539 HydrophobicContact CB-CE1 4Å; R483-Y539 HydrophobicContact CB-CG 4.3Å; R483-Y539 HydrophobicContact CG-CD1 3.85Å; R483-Y539 HydrophobicContact CG-CG 4.07Å; R483-Y539 WeakPolarHBondContact O-CE1 3.4Å; R483-D544 PolarHBondContact N-OD1 3Å
484	D	88.8	Confident	93.4	Very high	36 Å²	36	39 Å²	39	19%	0.193	21%	0.21	C	C	.	.			trans	-148.3	52.9	-177	-161.9	26.9	0	0	0	111.6	H482 K486 N489	H482-D484 PolarHBondContact CE1-O 3.29Å; H482-D484 PolarHBondContact O-N 3.44Å; D484-K486 VanDerWaalsContact OD1-CE 3.27Å; D484-K486 WeakPolarHBondContact OD1-CE 3.43Å; D484-K486 IonicContact OD1-NZ 2.67Å; D484-K486 PolarHBondContact OD1-NZ 2.84Å; D484-K486 VanDerWaalsContact OD2-CE 3.32Å; D484-K486 WeakPolarHBondContact OD2-CE 3.39Å; D484-K486 IonicContact OD2-NZ 2.71Å; D484-K486 PolarHBondContact OD2-NZ 3.25Å; D484-N489 PolarHBondContact O-ND2 2.95Å; D484-N489 PolarHBondContact OD2-ND2 3.3Å
485	I	94.6	Very high	93.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	23%	0.229	C	C	.	.			trans	-83.3	118.1	176.7	-58.6	178.1	0	0	0	109.3	V472 H482 I490 L500 W528 D544 S547 V548	V472-I485 HydrophobicContact CG2-CD1 3.55Å; H482-I485 HydrophobicContact CB-CD1 3.98Å; H482-I485 HydrophobicContact CB-CG1 3.76Å; I485-I490 HydrophobicContact CG2-CD1 4.16Å; I485-L500 HydrophobicContact CG1-CD2 4.49Å; I485-L500 HydrophobicContact CG2-CD2 4.43Å; I485-W528 VanDerWaalsContact O-CD1 3.31Å; I485-D544 HydrophobicContact CD1-CB 3.73Å; I485-S547 WeakPolarHBondContact O-CB 3.28Å; I485-V548 HydrophobicContact CD1-CG2 3.97Å; I485-V548 HydrophobicContact CG2-CG2 4.06Å
486	K	94.8	Very high	93	Very high	32 Å²	32	42.3 Å²	42.3	14%	0.139	24%	0.24	C	C	.	.	S	Bend	trans	-162.9	162	179.4	59	-167.1	174.7	-152.6	0	109.5	D484 A488 N489 I490 W528 T551	D484-K486 VanDerWaalsContact OD1-CE 3.27Å; D484-K486 WeakPolarHBondContact OD1-CE 3.43Å; D484-K486 IonicContact OD1-NZ 2.67Å; D484-K486 PolarHBondContact OD1-NZ 2.84Å; D484-K486 VanDerWaalsContact OD2-CE 3.32Å; D484-K486 WeakPolarHBondContact OD2-CE 3.39Å; D484-K486 IonicContact OD2-NZ 2.71Å; D484-K486 PolarHBondContact OD2-NZ 3.25Å; K486-A488 HydrophobicContact CD-CB 4.37Å; K486-A488 HydrophobicContact CG-CB 4.1Å; K486-A488 PolarHBondContact O-N 3.32Å; K486-N489 VanDerWaalsContact CE-OD1 3.26Å; K486-N489 WeakPolarHBondContact CE-OD1 3.3Å; K486-N489 HydrophobicContact CG-CB 4.3Å; K486-N489 PolarHBondContact O-N 3.04Å; K486-I490 PolarHBondContact O-N 3.44Å; K486-W528 HydrophobicContact CB-CD2 3.86Å; K486-W528 HydrophobicContact CB-CG 3.93Å; K486-W528 HydrophobicContact CB-CZ2 4.01Å; K486-T551 WeakPolarHBondContact CA-OG1 3.37Å
487	G	95.6	Very high	93.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-23.2	-179.7	0	0	0	0	0	114.6	S445 I446 K447 E554	S445-G487 WeakPolarHBondContact CB-O 3.4Å; I446-G487 CarbonylContact C-O 3.36Å; I446-G487 WeakPolarHBondContact CA-O 3.39Å; I446-G487 WeakPolarHBondContact CB-O 3.4Å; I446-G487 PolarHBondContact N-O 3.49Å; K447-G487 PolarHBondContact N-O 3.25Å; G487-E554 WeakPolarHBondContact CA-OE1 3.4Å; G487-E554 PolarHBondContact N-OE1 2.91Å; G487-E554 PolarHBondContact N-OE2 3.01Å
488	A	93.1	Very high	93.3	Very high	31 Å²	31	39.8 Å²	39.8	26%	0.256	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-27.9	174	0	0	0	0	0	114.4	S445 K447 K486	S445-A488 WeakPolarHBondContact CB-O 3.38Å; K447-A488 HydrophobicContact CB-CB 4.17Å; K447-A488 HydrophobicContact CD-CB 3.8Å; K486-A488 HydrophobicContact CD-CB 4.37Å; K486-A488 HydrophobicContact CG-CB 4.1Å; K486-A488 PolarHBondContact O-N 3.32Å
489	N	94.8	Very high	93.7	Very high	16 Å²	16	37.3 Å²	37.3	9%	0.086	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.6	-2.2	-174.5	-66.6	9.7	0	0	0	112.7	D484 K486 G501	D484-N489 PolarHBondContact O-ND2 2.95Å; D484-N489 PolarHBondContact OD2-ND2 3.3Å; K486-N489 VanDerWaalsContact CE-OD1 3.26Å; K486-N489 WeakPolarHBondContact CE-OD1 3.3Å; K486-N489 HydrophobicContact CG-CB 4.3Å; K486-N489 PolarHBondContact O-N 3.04Å; N489-G501 PolarHBondContact O-N 2.96Å
490	I	97.6	Very high	94.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	113.6	173.6	-64.5	150	0	0	0	108	S445 I446 I468 I485 K486 V498 K499 L500 T551	S445-I490 CarbonylContact C-O 3.56Å; S445-I490 VanDerWaalsContact CA-O 3.3Å; S445-I490 WeakPolarHBondContact CA-O 3.4Å; I446-I490 HydrophobicContact CD1-CB 3.91Å; I446-I490 HydrophobicContact CD1-CD1 4.5Å; I446-I490 HydrophobicContact CD1-CG2 3.4Å; I446-I490 HydrophobicContact CG1-CB 4.3Å; I446-I490 HydrophobicContact CG1-CG2 3.98Å; I446-I490 PolarHBondContact N-O 3.07Å; I468-I490 HydrophobicContact CD1-CD1 3.65Å; I468-I490 HydrophobicContact CD1-CG1 4.45Å; I468-I490 HydrophobicContact CD1-CG2 4.37Å; I468-I490 HydrophobicContact CG1-CD1 3.97Å; I468-I490 HydrophobicContact CG1-CG1 4.3Å; I468-I490 HydrophobicContact CG1-CG2 4.18Å; I485-I490 HydrophobicContact CG2-CD1 4.16Å; K486-I490 PolarHBondContact O-N 3.44Å; I490-V498 HydrophobicContact CG2-CB 3.71Å; I490-V498 HydrophobicContact CG2-CG1 4.34Å; I490-V498 HydrophobicContact CG2-CG2 4.04Å; I490-K499 CarbonylContact C-O 3.59Å; I490-K499 WeakPolarHBondContact CA-O 3.44Å; I490-L500 HydrophobicContact CD1-CD2 4.47Å; I490-L500 HydrophobicContact CG1-CD2 3.75Å; I490-T551 HydrophobicContact CD1-CG2 3.6Å
491	L	97.8	Very high	94.3	Very high	41 Å²	41	30.3 Å²	30.3	22%	0.215	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	148.8	-171.5	-54.1	-173.8	0	0	0	111.5	V420 M441 G444 V498 K499	V420-L491 HydrophobicContact CG2-CD1 4.23Å; M441-L491 HydrophobicContact CB-CB 3.62Å; M441-L491 HydrophobicContact CB-CD1 4.1Å; M441-L491 HydrophobicContact CE-CB 4.33Å; M441-L491 WeakPolarHBondContact CE-O 3.41Å; M441-L491 HydrophobicContact CG-CB 3.74Å; M441-L491 HydrophobicContact CG-CD1 4.03Å; G444-L491 CarbonylContact O-C 3.5Å; G444-L491 WeakPolarHBondContact O-CA 3.27Å; L491-V498 CarbonylContact O-C 3.41Å; L491-V498 VanDerWaalsContact O-CA 3.32Å; L491-V498 WeakPolarHBondContact O-CA 3.39Å; L491-K499 PolarHBondContact N-O 2.97Å; L491-K499 PolarHBondContact O-N 3.02Å
492	R	97.6	Very high	94.1	Very high	44 Å²	44	31 Å²	31	17%	0.166	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.1	-171.7	-46.8	-174.4	-59.4	144	5.5	111.6	M441 G443 G444 I446 N497 V498	M441-R492 CarbonylContact C-O 3.06Å; G443-R492 VanDerWaalsContact CA-O 3.28Å; G443-R492 WeakPolarHBondContact CA-O 3.37Å; G443-R492 PolarHBondContact N-O 2.72Å; G443-R492 VanDerWaalsContact O-CZ 3.27Å; G443-R492 PolarHBondContact O-NE 3.07Å; G443-R492 PolarHBondContact O-NH2 3.05Å; G444-R492 PolarHBondContact O-N 2.98Å; I446-R492 HydrophobicContact CG1-CG 4.34Å; R492-N497 WeakPolarHBondContact CA-O 3.44Å; R492-V498 HydrophobicContact CG-CG1 4.14Å
493	D	95.3	Very high	93.5	Very high	34 Å²	34	31 Å²	31	18%	0.182	18%	0.177	C	C	.	.			trans	-88.5	176.8	172.8	69.7	28	0	0	0	112.6	M441 T495 G496 N497	M441-D493 HydrophobicContact CE-CB 3.97Å; D493-T495 VanDerWaalsContact CG-OG1 3.29Å; D493-T495 PolarHBondContact O-N 3.12Å; D493-T495 VanDerWaalsContact OD1-CA 3.28Å; D493-T495 WeakPolarHBondContact OD1-CA 3.23Å; D493-T495 WeakPolarHBondContact OD1-CB 3.5Å; D493-T495 PolarHBondContact OD1-N 3.46Å; D493-T495 PolarHBondContact OD1-OG1 3.08Å; D493-T495 PolarHBondContact OD2-OG1 3.32Å; D493-G496 PolarHBondContact O-N 2.98Å; D493-G496 PolarHBondContact OD1-N 3.24Å; D493-N497 PolarHBondContact N-O 3.18Å; D493-N497 PolarHBondContact OD1-N 2.88Å; D493-N497 WeakPolarHBondContact OD2-CB 3.32Å
494	S	91.9	Very high	92.6	Very high	110 Å²	110	27.1 Å²	27.1	77%	0.769	16%	0.163	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-11.1	178.2	50.4	0	0	0	0	114.3
495	T	93.2	Very high	91.7	Very high	96 Å²	96	25.4 Å²	25.4	59%	0.589	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.3	-0	175.7	70.8	0	0	0	0	112.7	D493 N497	D493-T495 VanDerWaalsContact CG-OG1 3.29Å; D493-T495 PolarHBondContact O-N 3.12Å; D493-T495 VanDerWaalsContact OD1-CA 3.28Å; D493-T495 WeakPolarHBondContact OD1-CA 3.23Å; D493-T495 WeakPolarHBondContact OD1-CB 3.5Å; D493-T495 PolarHBondContact OD1-N 3.46Å; D493-T495 PolarHBondContact OD1-OG1 3.08Å; D493-T495 PolarHBondContact OD2-OG1 3.32Å; T495-N497 PolarHBondContact OG1-ND2 3.22Å
496	G	90.9	Very high	90.4	Very high	24 Å²	24	25.9 Å²	25.9	25%	0.247	16%	0.158	C	C	.	.	S	Bend	trans	71.4	29.8	-178.1	0	0	0	0	0	113.4	K463 Y464 D493	K463-G496 PolarHBondContact NZ-O 2.92Å; Y464-G496 WeakPolarHBondContact CE1-O 3.16Å; D493-G496 PolarHBondContact O-N 2.98Å; D493-G496 PolarHBondContact OD1-N 3.24Å
497	N	96.7	Very high	89.2	Confident	32 Å²	32	29.6 Å²	29.6	17%	0.171	17%	0.174	C	C	.	.			trans	-95.3	162.3	162.1	-59	-49.2	0	0	0	110.5	K463 Q467 R492 D493 T495	K463-N497 WeakPolarHBondContact CE-OD1 3.38Å; K463-N497 PolarHBondContact NZ-OD1 3.06Å; Q467-N497 PolarHBondContact NE2-OD1 3.27Å; Q467-N497 VanDerWaalsContact OE1-CA 3.32Å; R492-N497 WeakPolarHBondContact CA-O 3.44Å; D493-N497 PolarHBondContact N-O 3.18Å; D493-N497 PolarHBondContact OD1-N 2.88Å; D493-N497 WeakPolarHBondContact OD2-CB 3.32Å; T495-N497 PolarHBondContact OG1-ND2 3.22Å
498	V	98.4	Very high	88.2	Confident	1 Å²	1	32.3 Å²	32.3	1%	0.006	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	149.6	-176.2	-53.2	0	0	0	0	113.6	I446 Y464 Q467 I468 I490 L491 R492	I446-V498 HydrophobicContact CD1-CG1 4.33Å; Y464-V498 HydrophobicContact CD1-CG1 3.5Å; Y464-V498 VanDerWaalsContact CD1-CG1 3.5Å; Y464-V498 HydrophobicContact CD1-CG2 4.29Å; Y464-V498 HydrophobicContact CD2-CG1 4Å; Y464-V498 HydrophobicContact CE1-CG1 3.55Å; Y464-V498 HydrophobicContact CE2-CG1 4.03Å; Y464-V498 HydrophobicContact CG-CG1 3.73Å; Y464-V498 HydrophobicContact CG-CG2 4.36Å; Q467-V498 HydrophobicContact CB-CG2 3.6Å; I468-V498 HydrophobicContact CG1-CG2 4.17Å; I490-V498 HydrophobicContact CG2-CB 3.71Å; I490-V498 HydrophobicContact CG2-CG1 4.34Å; I490-V498 HydrophobicContact CG2-CG2 4.04Å; L491-V498 CarbonylContact O-C 3.41Å; L491-V498 VanDerWaalsContact O-CA 3.32Å; L491-V498 WeakPolarHBondContact O-CA 3.39Å; R492-V498 HydrophobicContact CG-CG1 4.14Å
499	K	98.3	Very high	87.1	Confident	25 Å²	25	30.9 Å²	30.9	11%	0.109	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	149.7	175.8	-54.4	-166.6	-171.8	-171.6	0	111.8	E417 R418 V420 E439 M441 I490 L491	E417-K499 VanDerWaalsContact O-CE 3.27Å; E417-K499 WeakPolarHBondContact O-CE 3.32Å; E417-K499 WeakPolarHBondContact O-CG 3.48Å; R418-K499 CarbonylContact O-C 3.54Å; R418-K499 VanDerWaalsContact O-CA 3.28Å; R418-K499 WeakPolarHBondContact O-CA 3.36Å; V420-K499 HydrophobicContact CG2-CB 3.76Å; E439-K499 IonicContact OE1-NZ 3.55Å; E439-K499 PolarHBondContact OE1-NZ 2.96Å; E439-K499 IonicContact OE2-NZ 3.76Å; E439-K499 PolarHBondContact OE2-NZ 3.38Å; M441-K499 HydrophobicContact CE-CB 3.94Å; M441-K499 HydrophobicContact CE-CD 3.83Å; M441-K499 HydrophobicContact CE-CG 3.64Å; M441-K499 HydrophobicContact SD-CD 3.99Å; M441-K499 HydrophobicContact SD-CG 4.44Å; I490-K499 CarbonylContact C-O 3.59Å; I490-K499 WeakPolarHBondContact CA-O 3.44Å; L491-K499 PolarHBondContact N-O 2.97Å; L491-K499 PolarHBondContact O-N 3.02Å
500	L	97.3	Very high	86	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129.4	172.5	-64	162.3	0	0	0	110.6	R418 I419 V420 I468 V472 L475 I485 I490 F503	R418-L500 PolarHBondContact O-N 3.32Å; I419-L500 HydrophobicContact CD1-CB 4.13Å; I419-L500 HydrophobicContact CD1-CD1 4.05Å; V420-L500 WeakPolarHBondContact CB-O 3.46Å; V420-L500 WeakPolarHBondContact CG2-O 3.39Å; V420-L500 PolarHBondContact N-O 3.32Å; I468-L500 HydrophobicContact CG2-CD2 4.41Å; V472-L500 HydrophobicContact CG2-CD1 3.81Å; L475-L500 HydrophobicContact CD1-CD1 4.23Å; I485-L500 HydrophobicContact CG1-CD2 4.49Å; I485-L500 HydrophobicContact CG2-CD2 4.43Å; I490-L500 HydrophobicContact CD1-CD2 4.47Å; I490-L500 HydrophobicContact CG1-CD2 3.75Å; L500-F503 WeakPolarHBondContact O-CE1 3.46Å
501	G	93.6	Very high	84.7	Confident	5 Å²	5	35.9 Å²	35.9	5%	0.052	20%	0.199	C	C	.	.			trans	-124	172.5	173.4	0	0	0	0	0	112.5	H482 N489 F503	H482-G501 PolarHBondContact CE1-O 3.15Å; H482-G501 PolarHBondContact NE2-O 3.12Å; N489-G501 PolarHBondContact O-N 2.96Å; G501-F503 PolarHBondContact O-N 3.38Å; G501-F503 VanDerWaalsContact O-N 3.11Å
502	D	84.7	Confident	83.5	Confident	35 Å²	35	34.2 Å²	34.2	19%	0.187	19%	0.19	C	C	.	.	S	Bend	trans	55.7	24.7	179.6	-93.1	-19.1	0	0	0	115.8	K386 S506	K386-D502 IonicContact NZ-OD1 3.95Å; K386-D502 PolarHBondContact NZ-OD1 2.87Å; K386-D502 IonicContact NZ-OD2 3.49Å; K386-D502 PolarHBondContact NZ-OD2 3.29Å; D502-S506 PolarHBondContact O-OG 2.87Å
503	F	80.3	Confident	82	Confident	1 Å²	1	33.8 Å²	33.8	0%	0.004	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.4	147.8	174.7	56	-92	0	0	0	112.8	L411 L414 I419 Y422 L475 H482 L500 G501 A505	L411-F503 HydrophobicContact CB-CE2 4.33Å; L411-F503 HydrophobicContact CD1-CD2 4.23Å; L411-F503 HydrophobicContact CD1-CE2 4.13Å; L411-F503 HydrophobicContact CD2-CD2 4.23Å; L411-F503 HydrophobicContact CD2-CE2 4.04Å; L411-F503 HydrophobicContact CG-CE2 4.38Å; L414-F503 HydrophobicContact CD1-CE2 3.77Å; L414-F503 HydrophobicContact CD1-CZ 4.44Å; I419-F503 HydrophobicContact CG2-CD1 4.46Å; I419-F503 HydrophobicContact CG2-CE1 3.47Å; I419-F503 VanDerWaalsContact CG2-CE1 3.47Å; I419-F503 HydrophobicContact CG2-CE2 4.27Å; I419-F503 HydrophobicContact CG2-CZ 3.34Å; Y422-F503 HydrophobicContact CD2-CE1 4.39Å; Y422-F503 HydrophobicContact CD2-CE2 4.06Å; Y422-F503 AromaticContact CD2-CZ 3.67Å; Y422-F503 HydrophobicContact CD2-CZ 3.67Å; Y422-F503 HydrophobicContact CE2-CD1 4.47Å; Y422-F503 HydrophobicContact CE2-CD2 4.36Å; Y422-F503 AromaticContact CE2-CE1 3.83Å; Y422-F503 HydrophobicContact CE2-CE1 3.83Å; Y422-F503 AromaticContact CE2-CE2 3.72Å; Y422-F503 HydrophobicContact CE2-CE2 3.72Å; Y422-F503 AromaticContact CE2-CZ 3.42Å; Y422-F503 HydrophobicContact CE2-CZ 3.42Å; Y422-F503 VanDerWaalsContact CE2-CZ 3.42Å; L475-F503 HydrophobicContact CD1-CB 4.29Å; L475-F503 HydrophobicContact CD1-CG 4.39Å; L475-F503 HydrophobicContact CD2-CD2 4.16Å; L475-F503 HydrophobicContact CD2-CE2 4.36Å; H482-F503 HydrophobicContact CB-CB 4.35Å; L500-F503 WeakPolarHBondContact O-CE1 3.46Å; G501-F503 PolarHBondContact O-N 3.38Å; G501-F503 VanDerWaalsContact O-N 3.11Å; F503-A505 PolarHBondContact O-N 3.12Å
504	G	68.9	Low	80.6	Confident	4 Å²	4	34.4 Å²	34.4	4%	0.041	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.3	-69.1	177.8	0	0	0	0	0	113.6	S506	G504-S506 PolarHBondContact O-N 3Å
505	A	70.4	Confident	79.1	Confident	1 Å²	1	32 Å²	32	1%	0.008	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-24.7	-174	0	0	0	0	0	115	L404 F503 K507 R508 L509	L404-A505 HydrophobicContact CD1-CB 3.57Å; F503-A505 PolarHBondContact O-N 3.12Å; A505-K507 VanDerWaalsContact C-N 3.31Å; A505-K507 PolarHBondContact O-N 2.91Å; A505-R508 PolarHBondContact O-N 2.82Å; A505-L509 HydrophobicContact CB-CD1 4.01Å; A505-L509 HydrophobicContact CB-CG 4.4Å; A505-L509 WeakPolarHBondContact O-CG 3.43Å; A505-L509 PolarHBondContact O-N 2.87Å
506	S	66.9	Low	77	Confident	11 Å²	11	31 Å²	31	8%	0.077	19%	0.188	C	C	.	.	H	α-helix	trans	-53.6	-39.1	-172	11.5	0	0	0	0	113.6	D502 G504 Q510	D502-S506 PolarHBondContact O-OG 2.87Å; G504-S506 PolarHBondContact O-N 3Å; S506-Q510 WeakPolarHBondContact O-CB 3.47Å; S506-Q510 PolarHBondContact O-N 3.23Å
507	K	70	Confident	75	Confident	110 Å²	110	33.9 Å²	33.9	48%	0.478	20%	0.201	S	C	.	.	H	α-helix	trans	-66.2	-41.6	176.6	-173.7	-172.5	173.6	-166.2	0	112.3	E89 A505 Q510 T511	E89-K507 IonicContact OE1-NZ 2.8Å; E89-K507 PolarHBondContact OE1-NZ 3.26Å; A505-K507 VanDerWaalsContact C-N 3.31Å; A505-K507 PolarHBondContact O-N 2.91Å; K507-Q510 PolarHBondContact O-N 3.41Å; K507-T511 PolarHBondContact O-N 3.36Å; K507-T511 PolarHBondContact O-OG1 3.04Å
508	R	74.6	Confident	72.1	Confident	57 Å²	57	35.7 Å²	35.7	22%	0.215	23%	0.228	C	C	.	.	H	α-helix	trans	-72.7	-41.1	179.2	-76.3	-165.4	164.8	107.8	0.7	112.2	E400 A403 L404 E407 A505 Q510 T511 I512	E400-R508 IonicContact OE2-NE 2.78Å; A403-R508 VanDerWaalsContact CB-NE 3.33Å; A403-R508 PolarHBondContact O-NH1 3.03Å; L404-R508 HydrophobicContact CB-CB 4.16Å; L404-R508 HydrophobicContact CD1-CB 4.33Å; E407-R508 IonicContact OE2-CZ 3.51Å; E407-R508 IonicContact OE2-NH1 3.53Å; E407-R508 PolarHBondContact OE2-NH1 2.9Å; A505-R508 PolarHBondContact O-N 2.82Å; R508-Q510 PolarHBondContact O-N 2.92Å; R508-T511 PolarHBondContact O-N 2.71Å; R508-T511 VanDerWaalsContact O-N 3.12Å; R508-I512 VanDerWaalsContact O-CG1 3.31Å; R508-I512 WeakPolarHBondContact O-CG1 3.33Å; R508-I512 PolarHBondContact O-N 2.68Å
509	L	70	Confident	69.2	Low	1 Å²	1	41.6 Å²	41.6	1%	0.005	26%	0.257	C	S	.	.	H	α-helix	trans	-55.1	-42.5	172.3	-71.7	171.5	0	0	0	111.4	F368 V388 L404 I436 A505 C513	F368-L509 HydrophobicContact CB-CB 4.1Å; F368-L509 HydrophobicContact CB-CD1 4.48Å; F368-L509 HydrophobicContact CD1-CB 4.33Å; F368-L509 HydrophobicContact CG-CB 4.17Å; V388-L509 HydrophobicContact CB-CD2 4.4Å; V388-L509 HydrophobicContact CG1-CD2 4.06Å; V388-L509 HydrophobicContact CG2-CD2 3.57Å; L404-L509 HydrophobicContact CD2-CD2 3.59Å; L404-L509 HydrophobicContact CD2-CG 4.05Å; I436-L509 HydrophobicContact CD1-CD2 4.06Å; A505-L509 HydrophobicContact CB-CD1 4.01Å; A505-L509 HydrophobicContact CB-CG 4.4Å; A505-L509 WeakPolarHBondContact O-CG 3.43Å; A505-L509 PolarHBondContact O-N 2.87Å; L509-C513 WeakPolarHBondContact O-CB 3.44Å; L509-C513 PolarHBondContact O-N 2.71Å; L509-C513 PolarHBondContact O-SG 3Å
510	Q	71.8	Confident	66.3	Low	64 Å²	64	50 Å²	50	30%	0.299	29%	0.293	S	S	.	.	H	α-helix	trans	-60.4	-50.2	173	-172.4	173.1	38.4	0	0	111.9	F368 S506 K507 R508 I512 C513 L514 T523	F368-Q510 HydrophobicContact CD1-CB 4.38Å; F368-Q510 HydrophobicContact CE1-CB 3.62Å; F368-Q510 HydrophobicContact CE1-CG 3.97Å; F368-Q510 HydrophobicContact CZ-CB 4.17Å; S506-Q510 WeakPolarHBondContact O-CB 3.47Å; S506-Q510 PolarHBondContact O-N 3.23Å; K507-Q510 PolarHBondContact O-N 3.41Å; R508-Q510 PolarHBondContact O-N 2.92Å; Q510-I512 PolarHBondContact O-N 3.07Å; Q510-C513 PolarHBondContact O-N 3Å; Q510-L514 HydrophobicContact CG-CD1 3.69Å; Q510-L514 HydrophobicContact CG-CG 4.19Å; Q510-L514 WeakPolarHBondContact O-CB 3.45Å; Q510-L514 VanDerWaalsContact O-CG 3.28Å; Q510-L514 WeakPolarHBondContact O-CG 3.35Å; Q510-L514 PolarHBondContact O-N 3.01Å; Q510-T523 PolarHBondContact NE2-OG1 3.19Å
511	T	70.8	Confident	63.5	Low	57 Å²	57	52.8 Å²	52.8	35%	0.35	31%	0.312	S	S	.	.	H	α-helix	trans	-57	-48.3	177.9	-47.5	0	0	0	0	111.9	E400 K507 R508 C513 L514 S515	E400-T511 HydrophobicContact CG-CG2 3.94Å; K507-T511 PolarHBondContact O-N 3.36Å; K507-T511 PolarHBondContact O-OG1 3.04Å; R508-T511 PolarHBondContact O-N 2.71Å; R508-T511 VanDerWaalsContact O-N 3.12Å; T511-C513 VanDerWaalsContact C-N 3.34Å; T511-C513 PolarHBondContact O-N 2.91Å; T511-L514 PolarHBondContact O-N 2.86Å; T511-S515 PolarHBondContact O-N 3.32Å; T511-S515 PolarHBondContact O-OG 3.33Å; T511-S515 VanDerWaalsContact O-OG 3.07Å
512	I	72.1	Confident	61	Low	6 Å²	6	57.7 Å²	57.7	3%	0.031	34%	0.341	C	S	.	.	H	α-helix	trans	-58.5	-44.8	-179.5	-66.8	161.5	0	0	0	111.1	V388 F390 T397 E400 V401 L404 R508 Q510	V388-I512 HydrophobicContact CG1-CG2 4.18Å; F390-I512 HydrophobicContact CB-CG2 3.78Å; T397-I512 HydrophobicContact CG2-CG2 4.18Å; E400-I512 HydrophobicContact CB-CD1 4.35Å; E400-I512 HydrophobicContact CB-CG1 3.78Å; V401-I512 HydrophobicContact CG2-CD1 3.9Å; V401-I512 HydrophobicContact CG2-CG1 4.18Å; V401-I512 HydrophobicContact CG2-CG2 4.28Å; L404-I512 HydrophobicContact CB-CD1 4.28Å; L404-I512 HydrophobicContact CD2-CD1 3.61Å; R508-I512 VanDerWaalsContact O-CG1 3.31Å; R508-I512 WeakPolarHBondContact O-CG1 3.33Å; R508-I512 PolarHBondContact O-N 2.68Å; Q510-I512 PolarHBondContact O-N 3.07Å
513	C	66.1	Low	59	Low	34 Å²	34	58.9 Å²	58.9	23%	0.23	35%	0.35	C	S	.	.	H	α-helix	trans	-74.7	-27.6	-178.3	-60.4	0	0	0	0	113.3	L509 Q510 T511	L509-C513 WeakPolarHBondContact O-CB 3.44Å; L509-C513 PolarHBondContact O-N 2.71Å; L509-C513 PolarHBondContact O-SG 3Å; Q510-C513 PolarHBondContact O-N 3Å; T511-C513 VanDerWaalsContact C-N 3.34Å; T511-C513 PolarHBondContact O-N 2.91Å
514	L	66.3	Low	57.8	Low	48 Å²	48	60.7 Å²	60.7	25%	0.251	37%	0.369	S	S	.	.	H	α-helix	trans	-85.2	-26.8	179.2	-65.3	-176.9	0	0	0	113.5	Q510 T511 G516 T517 G518	Q510-L514 HydrophobicContact CG-CD1 3.69Å; Q510-L514 HydrophobicContact CG-CG 4.19Å; Q510-L514 WeakPolarHBondContact O-CB 3.45Å; Q510-L514 VanDerWaalsContact O-CG 3.28Å; Q510-L514 WeakPolarHBondContact O-CG 3.35Å; Q510-L514 PolarHBondContact O-N 3.01Å; T511-L514 PolarHBondContact O-N 2.86Å; L514-G516 PolarHBondContact O-N 2.99Å; L514-G516 VanDerWaalsContact O-N 3.16Å; L514-T517 PolarHBondContact O-N 2.88Å; L514-T517 VanDerWaalsContact O-N 3.14Å; L514-T517 PolarHBondContact O-OG1 3.34Å; L514-G518 PolarHBondContact O-N 2.77Å
515	S	58.9	Low	57.7	Low	59 Å²	59	64.6 Å²	64.6	41%	0.413	39%	0.392	S	S	.	.	H	α-helix	trans	-54.9	-33.6	177.8	-71.3	0	0	0	0	113.6	T397 T511	T397-S515 WeakPolarHBondContact OG1-CB 3.31Å; T511-S515 PolarHBondContact O-N 3.32Å; T511-S515 PolarHBondContact O-OG 3.33Å; T511-S515 VanDerWaalsContact O-OG 3.07Å
516	G	49.1	Very low	58.3	Low	75 Å²	75	64.8 Å²	64.8	77%	0.773	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.3	-8.9	-178.8	0	0	0	0	0	115.9	L514	L514-G516 PolarHBondContact O-N 2.99Å; L514-G516 VanDerWaalsContact O-N 3.16Å
517	T	49.1	Very low	59.5	Low	85 Å²	85	65.9 Å²	65.9	52%	0.521	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	-12.1	-171.4	59	0	0	0	0	114.5	L514 M519	L514-T517 PolarHBondContact O-N 2.88Å; L514-T517 VanDerWaalsContact O-N 3.14Å; L514-T517 PolarHBondContact O-OG1 3.34Å; T517-M519 PolarHBondContact O-N 3.07Å
518	G	37.5	Very low	60.6	Low	70 Å²	70	61.9 Å²	61.9	72%	0.722	38%	0.378	S	S	*	.			trans	68.7	-19.8	-178.4	0	0	0	0	0	115.3	L514 K520	L514-G518 PolarHBondContact O-N 2.77Å; G518-K520 PolarHBondContact O-N 3.03Å
519	M	35.9	Very low	61.4	Low	125 Å²	125	61.3 Å²	61.3	62%	0.616	38%	0.378	S	S	*	.			trans	-74.5	103.5	-179.6	-68.3	179.9	69.7	0	0	111.4	T517 S521	T517-M519 PolarHBondContact O-N 3.07Å; M519-S521 PolarHBondContact O-N 2.87Å
520	K	37.5	Very low	62.4	Low	202 Å²	202	61.3 Å²	61.3	88%	0.878	38%	0.378	S	S	*	.			trans	-72.1	42.2	163	-62.9	-179.4	-177.3	172.7	0	112.2	G518	G518-K520 PolarHBondContact O-N 3.03Å
521	S	38.5	Very low	63.3	Low	58 Å²	58	59.9 Å²	59.9	41%	0.406	37%	0.374	S	S	.	.			trans	-66.5	135	176.6	179	0	0	0	0	109.6	M519 T523	M519-S521 PolarHBondContact O-N 2.87Å; S521-T523 PolarHBondContact O-N 3.29Å; S521-T523 PolarHBondContact O-OG1 3.12Å; S521-T523 VanDerWaalsContact O-OG1 3.04Å
522	V	41.5	Very low	64.1	Low	108 Å²	108	58 Å²	58	66%	0.655	36%	0.362	S	S	*	.			trans	-71.9	73.3	175.7	-174.3	0	0	0	0	108.4	G524	V522-G524 PolarHBondContact O-N 3.18Å
523	T	42.2	Very low	64.9	Low	60 Å²	60	58.3 Å²	58.3	37%	0.368	36%	0.364	S	S	.	.			trans	-79.8	51.2	-174.1	34.2	0	0	0	0	111.4	Q510 S521	Q510-T523 PolarHBondContact NE2-OG1 3.19Å; S521-T523 PolarHBondContact O-N 3.29Å; S521-T523 PolarHBondContact O-OG1 3.12Å; S521-T523 VanDerWaalsContact O-OG1 3.04Å
524	G	55.3	Low	65.8	Low	40 Å²	40	58.5 Å²	58.5	41%	0.412	36%	0.362	S	S	.	.	S	Bend	trans	-132	142.5	174.6	0	0	0	0	0	109.7	V522 P526	V522-G524 PolarHBondContact O-N 3.18Å; G524-P526 WeakPolarHBondContact O-CD 3.36Å
525	T	67.3	Low	66.5	Low	85 Å²	85	59.5 Å²	59.5	52%	0.521	37%	0.373	S	S	.	.			trans	-88.1	103.1	175	-31.4	0	0	0	0	106.2	Y527 W528	T525-Y527 VanDerWaalsContact C-N 3.32Å; T525-Y527 HydrophobicContact CG2-CD2 3.9Å; T525-Y527 HydrophobicContact CG2-CE2 3.86Å; T525-Y527 PolarHBondContact O-N 3.38Å; T525-W528 HydrophobicContact CG2-CH2 4.46Å; T525-W528 HydrophobicContact CG2-CZ3 3.79Å; T525-W528 VanDerWaalsContact O-CE3 3.31Å
526	P	83.1	Confident	67.4	Low	5 Å²	5	59.6 Å²	59.6	3%	0.032	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-79	-10.6	-151.2	30.2	-37.3	0	0	0	115.3	G524 W528 M529 A567 I571	G524-P526 WeakPolarHBondContact O-CD 3.36Å; P526-W528 PolarHBondContact O-N 3.37Å; P526-M529 HydrophobicContact CB-SD 3.82Å; P526-M529 VanDerWaalsContact O-CB 3.24Å; P526-M529 WeakPolarHBondContact O-CB 3.47Å; P526-M529 WeakPolarHBondContact O-CG 3.46Å; P526-M529 PolarHBondContact O-N 3.47Å; P526-A567 HydrophobicContact CG-CB 3.99Å; P526-I571 HydrophobicContact CB-CD1 3.73Å; P526-I571 HydrophobicContact CB-CG1 3.58Å; P526-I571 HydrophobicContact CG-CD1 4.05Å; P526-I571 HydrophobicContact CG-CG1 3.95Å
527	Y	91.3	Very high	68.6	Low	34 Å²	34	63.5 Å²	63.5	13%	0.133	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-62.7	-12.3	-170.9	-47.2	-88.2	0	0	0	115.9	T525 C550 P560 P561 W562 F565 A570	T525-Y527 VanDerWaalsContact C-N 3.32Å; T525-Y527 HydrophobicContact CG2-CD2 3.9Å; T525-Y527 HydrophobicContact CG2-CE2 3.86Å; T525-Y527 PolarHBondContact O-N 3.38Å; Y527-C550 PolarHBondContact O-SG 2.78Å; Y527-P560 HydrophobicContact CD2-CG 3.95Å; Y527-P560 HydrophobicContact CG-CB 4.18Å; Y527-P560 HydrophobicContact CG-CG 3.92Å; Y527-P561 WeakPolarHBondContact CB-O 3.35Å; Y527-P561 WeakPolarHBondContact CD1-O 3.47Å; Y527-W562 WeakPolarHBondContact CE1-O 3.06Å; Y527-F565 WeakPolarHBondContact CE1-O 3.45Å; Y527-F565 PolarHBondContact OH-O 3.16Å; Y527-F565 VanDerWaalsContact OH-O 3.1Å; Y527-A570 HydrophobicContact CD1-CB 3.75Å; Y527-A570 HydrophobicContact CE1-CB 3.53Å
528	W	93.8	Very high	69.4	Low	26 Å²	26	60.8 Å²	60.8	10%	0.098	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-100.3	-4.8	173.4	-59.2	-107.9	0	0	0	113	I485 K486 T525 P526 S547 C550 E554 P560	I485-W528 VanDerWaalsContact O-CD1 3.31Å; K486-W528 HydrophobicContact CB-CD2 3.86Å; K486-W528 HydrophobicContact CB-CG 3.93Å; K486-W528 HydrophobicContact CB-CZ2 4.01Å; T525-W528 HydrophobicContact CG2-CH2 4.46Å; T525-W528 HydrophobicContact CG2-CZ3 3.79Å; T525-W528 VanDerWaalsContact O-CE3 3.31Å; P526-W528 PolarHBondContact O-N 3.37Å; W528-S547 WeakPolarHBondContact O-CB 3.44Å; W528-S547 PolarHBondContact O-OG 3.13Å; W528-C550 HydrophobicContact CB-CB 4.17Å; W528-C550 HydrophobicContact CG-CB 3.94Å; W528-E554 HydrophobicContact CZ2-CG 4.31Å; W528-E554 WeakPolarHBondContact CZ2-OE2 3.28Å; W528-E554 PolarHBondContact NE1-OE2 2.8Å; W528-P560 HydrophobicContact CD2-CB 4.21Å; W528-P560 HydrophobicContact CE3-CB 4.23Å; W528-P560 HydrophobicContact CH2-CB 3.66Å; W528-P560 HydrophobicContact CH2-CG 3.58Å; W528-P560 HydrophobicContact CZ2-CB 3.62Å; W528-P560 HydrophobicContact CZ2-CG 4Å; W528-P560 HydrophobicContact CZ3-CB 3.95Å; W528-P560 HydrophobicContact CZ3-CG 3.93Å
529	M	91.3	Very high	71	Confident	46 Å²	46	62.6 Å²	62.6	23%	0.227	36%	0.357	C	S	.	.			trans	-73.6	142.5	175	-61.7	169.2	66.2	0	0	110	P526 V533 I534 W546	P526-M529 HydrophobicContact CB-SD 3.82Å; P526-M529 VanDerWaalsContact O-CB 3.24Å; P526-M529 WeakPolarHBondContact O-CB 3.47Å; P526-M529 WeakPolarHBondContact O-CG 3.46Å; P526-M529 PolarHBondContact O-N 3.47Å; M529-V533 HydrophobicContact CB-CG1 4.19Å; M529-V533 HydrophobicContact CE-CG1 3.68Å; M529-V533 HydrophobicContact CG-CG1 4.33Å; M529-I534 HydrophobicContact CB-CD1 4.2Å; M529-I534 HydrophobicContact CB-CG1 4.06Å; M529-I534 HydrophobicContact CE-CG1 4.11Å; M529-W546 PolarHBondContact O-NE1 3.06Å
530	S	91.3	Very high	73.4	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.007	34%	0.344	C	S	.	.			trans	-89.6	161.7	177.4	58.9	0	0	0	0	112.2	E532 V533 I534 A543	S530-E532 VanDerWaalsContact C-N 3.27Å; S530-E532 VanDerWaalsContact CB-CD 3.49Å; S530-E532 WeakPolarHBondContact CB-OE1 3.28Å; S530-E532 WeakPolarHBondContact CB-OE2 3.5Å; S530-E532 PolarHBondContact O-N 2.73Å; S530-E532 PolarHBondContact OG-OE1 3.02Å; S530-E532 PolarHBondContact OG-OE2 3.19Å; S530-V533 WeakPolarHBondContact O-CB 3.23Å; S530-V533 PolarHBondContact O-N 2.9Å; S530-V533 WeakPolarHBondContact OG-CG2 3.36Å; S530-I534 PolarHBondContact O-N 2.79Å; S530-A543 WeakPolarHBondContact OG-CB 3.39Å
531	P	90.4	Very high	76.1	Confident	33 Å²	33	53.8 Å²	53.8	21%	0.214	32%	0.322	C	S	.	.	H	α-helix	trans	-56.9	-41.6	-179.3	-23.4	33.4	0	0	0	112.1	V533 I534 S535 W546 I574	P531-V533 VanDerWaalsContact C-N 3.27Å; P531-V533 PolarHBondContact O-N 3.06Å; P531-I534 PolarHBondContact O-N 2.88Å; P531-I534 VanDerWaalsContact O-N 3.12Å; P531-S535 PolarHBondContact O-N 2.81Å; P531-S535 PolarHBondContact O-OG 3.34Å; P531-W546 HydrophobicContact CG-CH2 3.62Å; P531-W546 HydrophobicContact CG-CZ2 4.06Å; P531-W546 HydrophobicContact CG-CZ3 3.99Å; P531-I574 HydrophobicContact CB-CG2 4.44Å; P531-I574 HydrophobicContact CG-CG2 3.85Å
532	E	88.7	Confident	78.8	Confident	18 Å²	18	54.3 Å²	54.3	8%	0.084	32%	0.317	C	S	.	.	H	α-helix	trans	-70.8	-19	178.7	73.2	-78	171.1	0	0	114.1	S530 S535 E537 G538 A543 A602 R605	S530-E532 VanDerWaalsContact C-N 3.27Å; S530-E532 VanDerWaalsContact CB-CD 3.49Å; S530-E532 WeakPolarHBondContact CB-OE1 3.28Å; S530-E532 WeakPolarHBondContact CB-OE2 3.5Å; S530-E532 PolarHBondContact O-N 2.73Å; S530-E532 PolarHBondContact OG-OE1 3.02Å; S530-E532 PolarHBondContact OG-OE2 3.19Å; E532-S535 WeakPolarHBondContact CA-OG 3.39Å; E532-S535 PolarHBondContact O-OG 3.08Å; E532-E537 HydrophobicContact CB-CB 4.32Å; E532-E537 WeakPolarHBondContact O-CB 3.2Å; E532-E537 PolarHBondContact O-N 2.97Å; E532-E537 VanDerWaalsContact O-N 3.15Å; E532-G538 PolarHBondContact O-N 2.82Å; E532-A543 WeakPolarHBondContact OE1-CA 3.29Å; E532-A602 HydrophobicContact CB-CB 4.43Å; E532-A602 HydrophobicContact CG-CB 3.94Å; E532-R605 IonicContact OE1-CZ 3.52Å; E532-R605 IonicContact OE1-NH1 2.65Å; E532-R605 PolarHBondContact OE1-NH1 3.49Å; E532-R605 IonicContact OE1-NH2 2.75Å; E532-R605 IonicContact OE2-CZ 3.6Å; E532-R605 IonicContact OE2-NH1 2.74Å; E532-R605 PolarHBondContact OE2-NH1 2.87Å; E532-R605 IonicContact OE2-NH2 2.82Å; E532-R605 PolarHBondContact OE2-NH2 3.04Å
533	V	87.9	Confident	81.3	Confident	13 Å²	13	49.3 Å²	49.3	8%	0.079	29%	0.286	C	S	.	.	H	α-helix	trans	-81.4	-34.7	170.1	164.3	0	0	0	0	110.8	M529 S530 P531 Y539 A543	M529-V533 HydrophobicContact CB-CG1 4.19Å; M529-V533 HydrophobicContact CE-CG1 3.68Å; M529-V533 HydrophobicContact CG-CG1 4.33Å; S530-V533 WeakPolarHBondContact O-CB 3.23Å; S530-V533 PolarHBondContact O-N 2.9Å; S530-V533 WeakPolarHBondContact OG-CG2 3.36Å; P531-V533 VanDerWaalsContact C-N 3.27Å; P531-V533 PolarHBondContact O-N 3.06Å; V533-Y539 HydrophobicContact CG1-CD1 4.26Å; V533-Y539 HydrophobicContact CG1-CD2 4.27Å; V533-Y539 HydrophobicContact CG1-CE1 3.69Å; V533-Y539 HydrophobicContact CG1-CE2 3.68Å; V533-Y539 HydrophobicContact CG2-CD1 3.78Å; V533-Y539 HydrophobicContact CG2-CD2 4.34Å; V533-Y539 HydrophobicContact CG2-CE1 4.01Å; V533-Y539 HydrophobicContact CG2-CG 3.97Å; V533-A543 HydrophobicContact CG2-CB 3.62Å
534	I	86	Confident	83.8	Confident	37 Å²	37	46.5 Å²	46.5	19%	0.19	27%	0.269	C	S	.	.	H	α-helix	trans	-73.5	-39	178.4	-71.4	169.6	0	0	0	111.8	M529 S530 P531 G536 I571 I574 A575	M529-I534 HydrophobicContact CB-CD1 4.2Å; M529-I534 HydrophobicContact CB-CG1 4.06Å; M529-I534 HydrophobicContact CE-CG1 4.11Å; S530-I534 PolarHBondContact O-N 2.79Å; P531-I534 PolarHBondContact O-N 2.88Å; P531-I534 VanDerWaalsContact O-N 3.12Å; I534-G536 PolarHBondContact O-N 3.46Å; I534-I571 HydrophobicContact CD1-CG1 4.39Å; I534-I571 HydrophobicContact CD1-CG2 4.32Å; I534-I571 HydrophobicContact CG1-CG2 4.44Å; I534-I571 HydrophobicContact CG2-CG2 3.59Å; I534-I574 HydrophobicContact CD1-CB 3.79Å; I534-I574 HydrophobicContact CD1-CD1 4.16Å; I534-I574 HydrophobicContact CD1-CG2 3.61Å; I534-A575 HydrophobicContact CG2-CB 3.91Å
535	S	80.7	Confident	85.9	Confident	69 Å²	69	44.6 Å²	44.6	48%	0.483	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.6	175.7	64.3	0	0	0	0	113.9	P531 E532 E537	P531-S535 PolarHBondContact O-N 2.81Å; P531-S535 PolarHBondContact O-OG 3.34Å; E532-S535 WeakPolarHBondContact CA-OG 3.39Å; E532-S535 PolarHBondContact O-OG 3.08Å; S535-E537 WeakPolarHBondContact CB-OE1 3.42Å; S535-E537 VanDerWaalsContact OG-CD 3.27Å; S535-E537 WeakPolarHBondContact OG-CG 3.41Å; S535-E537 PolarHBondContact OG-OE1 2.9Å
536	G	77	Confident	87.3	Confident	62 Å²	62	40.6 Å²	40.6	64%	0.639	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	86	3.9	-177.6	0	0	0	0	0	115.1	I534 G538	I534-G536 PolarHBondContact O-N 3.46Å; G536-G538 PolarHBondContact O-N 2.93Å
537	E	73.9	Confident	87.9	Confident	157 Å²	157	40.9 Å²	40.9	73%	0.734	23%	0.227	S	C	*	.	S	Bend	trans	-61.9	-32.1	172.6	-65.6	160.1	-118.5	0	0	111.7	E532 S535	E532-E537 HydrophobicContact CB-CB 4.32Å; E532-E537 WeakPolarHBondContact O-CB 3.2Å; E532-E537 PolarHBondContact O-N 2.97Å; E532-E537 VanDerWaalsContact O-N 3.15Å; S535-E537 WeakPolarHBondContact CB-OE1 3.42Å; S535-E537 VanDerWaalsContact OG-CD 3.27Å; S535-E537 WeakPolarHBondContact OG-CG 3.41Å; S535-E537 PolarHBondContact OG-OE1 2.9Å
538	G	65.8	Low	88.2	Confident	28 Å²	28	39.2 Å²	39.2	29%	0.289	22%	0.22	S	C	.	.			trans	115.1	174.9	157.6	0	0	0	0	0	116.1	E532 G536 G540	E532-G538 PolarHBondContact O-N 2.82Å; G536-G538 PolarHBondContact O-N 2.93Å; G538-G540 PolarHBondContact O-N 2.94Å; G538-G540 VanDerWaalsContact O-N 3.07Å
539	Y	72.7	Confident	88.4	Confident	108 Å²	108	38 Å²	38	42%	0.424	22%	0.216	S	C	.	.			trans	-77.7	93	-174.8	-73.1	-93	0	0	0	112.8	R483 V533	R483-Y539 HydrophobicContact CB-CD1 3.66Å; R483-Y539 HydrophobicContact CB-CE1 4Å; R483-Y539 HydrophobicContact CB-CG 4.3Å; R483-Y539 HydrophobicContact CG-CD1 3.85Å; R483-Y539 HydrophobicContact CG-CG 4.07Å; R483-Y539 WeakPolarHBondContact O-CE1 3.4Å; V533-Y539 HydrophobicContact CG1-CD1 4.26Å; V533-Y539 HydrophobicContact CG1-CD2 4.27Å; V533-Y539 HydrophobicContact CG1-CE1 3.69Å; V533-Y539 HydrophobicContact CG1-CE2 3.68Å; V533-Y539 HydrophobicContact CG2-CD1 3.78Å; V533-Y539 HydrophobicContact CG2-CD2 4.34Å; V533-Y539 HydrophobicContact CG2-CE1 4.01Å; V533-Y539 HydrophobicContact CG2-CG 3.97Å
540	G	85.9	Confident	88.7	Confident	34 Å²	34	35.8 Å²	35.8	35%	0.351	21%	0.205	S	C	.	.			trans	-100.6	171.5	169.1	0	0	0	0	0	113.8	G538 K542 A543	G538-G540 PolarHBondContact O-N 2.94Å; G538-G540 VanDerWaalsContact O-N 3.07Å; G540-K542 PolarHBondContact O-N 3.12Å; G540-K542 VanDerWaalsContact O-N 3.12Å; G540-A543 VanDerWaalsContact O-CB 3.27Å; G540-A543 WeakPolarHBondContact O-CB 3.32Å; G540-A543 PolarHBondContact O-N 3.14Å
541	R	93.8	Very high	89.1	Confident	108 Å²	108	35.8 Å²	35.8	41%	0.408	20%	0.204	S	C	.	.	H	α-helix	trans	-50.3	-36.8	175	-71.5	-178.8	-178.4	150.6	-0.8	113.5	H476 M479 V481 A543 D544 I545	H476-R541 HydrophobicContact CB-CG 4.29Å; H476-R541 PolarHBondContact CE1-O 3.19Å; H476-R541 VanDerWaalsContact O-CZ 3.24Å; H476-R541 PolarHBondContact O-NE 3.35Å; H476-R541 PolarHBondContact O-NH2 3.31Å; M479-R541 PolarHBondContact SD-NH2 2.98Å; V481-R541 HydrophobicContact CG2-CG 4.13Å; R541-A543 VanDerWaalsContact C-N 3.25Å; R541-A543 PolarHBondContact O-N 3.14Å; R541-D544 WeakPolarHBondContact O-CB 3.29Å; R541-D544 PolarHBondContact O-N 3.29Å; R541-I545 PolarHBondContact O-N 2.9Å
542	K	95.1	Very high	89.4	Confident	69 Å²	69	34.2 Å²	34.2	30%	0.3	20%	0.195	S	C	.	.	H	α-helix	trans	-66.5	-26.6	179.7	-57.8	-72	-170.6	175.7	0	112.1	G540 I545 W546 A602 R605	G540-K542 PolarHBondContact O-N 3.12Å; G540-K542 VanDerWaalsContact O-N 3.12Å; K542-I545 PolarHBondContact O-N 3.17Å; K542-W546 PolarHBondContact O-N 3.41Å; K542-A602 HydrophobicContact CB-CB 4.21Å; K542-A602 WeakPolarHBondContact CD-O 3.49Å; K542-A602 VanDerWaalsContact CG-O 3.31Å; K542-A602 WeakPolarHBondContact CG-O 3.31Å; K542-R605 VanDerWaalsContact C-NH1 3.33Å; K542-R605 HydrophobicContact CD-CB 4.41Å; K542-R605 WeakPolarHBondContact CD-O 3.46Å; K542-R605 WeakPolarHBondContact CE-O 3.34Å; K542-R605 PolarHBondContact NZ-O 2.71Å; K542-R605 VanDerWaalsContact O-CD 3.25Å; K542-R605 WeakPolarHBondContact O-CD 3.11Å; K542-R605 PolarHBondContact O-NH1 2.8Å
543	A	93.7	Very high	89.9	Confident	2 Å²	2	33.5 Å²	33.5	2%	0.017	19%	0.191	C	C	.	.	H	α-helix	trans	-67.7	-44.3	174.7	0	0	0	0	0	111.3	S530 E532 V533 G540 R541 I545 W546 S547	S530-A543 WeakPolarHBondContact OG-CB 3.39Å; E532-A543 WeakPolarHBondContact OE1-CA 3.29Å; V533-A543 HydrophobicContact CG2-CB 3.62Å; G540-A543 VanDerWaalsContact O-CB 3.27Å; G540-A543 WeakPolarHBondContact O-CB 3.32Å; G540-A543 PolarHBondContact O-N 3.14Å; R541-A543 VanDerWaalsContact C-N 3.25Å; R541-A543 PolarHBondContact O-N 3.14Å; A543-I545 PolarHBondContact O-N 2.95Å; A543-W546 WeakPolarHBondContact O-CB 3.5Å; A543-W546 PolarHBondContact O-N 3.19Å; A543-S547 PolarHBondContact O-N 3.09Å; A543-S547 PolarHBondContact O-OG 3.1Å; A543-S547 VanDerWaalsContact O-OG 3.13Å
544	D	95.6	Very high	90.3	Very high	1 Å²	1	33.3 Å²	33.3	1%	0.005	19%	0.19	C	C	.	.	H	α-helix	trans	-54.8	-41.5	173.3	-72.7	-17.1	0	0	0	111.5	V472 H476 V481 H482 R483 I485 R541 W546 S547 V548	V472-D544 HydrophobicContact CG1-CB 4.32Å; H476-D544 IonicContact CD2-OD2 3.12Å; H476-D544 IonicContact CE1-OD2 2.71Å; H476-D544 IonicContact NE2-OD2 2.65Å; H476-D544 PolarHBondContact NE2-OD2 3.3Å; V481-D544 WeakPolarHBondContact CA-OD2 3.38Å; V481-D544 WeakPolarHBondContact CG1-OD2 3.47Å; H482-D544 PolarHBondContact N-OD1 2.82Å; H482-D544 PolarHBondContact N-OD2 3.5Å; R483-D544 PolarHBondContact N-OD1 3Å; I485-D544 HydrophobicContact CD1-CB 3.73Å; R541-D544 WeakPolarHBondContact O-CB 3.29Å; R541-D544 PolarHBondContact O-N 3.29Å; D544-W546 VanDerWaalsContact C-N 3.34Å; D544-W546 PolarHBondContact O-N 3.31Å; D544-S547 PolarHBondContact O-N 3.42Å; D544-V548 WeakPolarHBondContact O-CG2 3.44Å; D544-V548 PolarHBondContact O-N 3.16Å
545	I	98.1	Very high	90.9	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-63.5	-38.5	178.4	-56.3	-58.2	0	0	0	111.9	V472 R541 K542 A543 V548 A549 I598 R605 A608 L611	V472-I545 HydrophobicContact CG1-CD1 3.97Å; R541-I545 PolarHBondContact O-N 2.9Å; K542-I545 PolarHBondContact O-N 3.17Å; A543-I545 PolarHBondContact O-N 2.95Å; I545-V548 WeakPolarHBondContact O-CB 3.49Å; I545-V548 PolarHBondContact O-N 2.92Å; I545-A549 PolarHBondContact O-N 2.86Å; I545-I598 HydrophobicContact CG2-CD1 4.49Å; I545-I598 HydrophobicContact CG2-CG1 4.25Å; I545-I598 HydrophobicContact CG2-CG2 3.99Å; I545-I598 WeakPolarHBondContact O-CG2 3.36Å; I545-R605 HydrophobicContact CG2-CG 4.11Å; I545-A608 HydrophobicContact CD1-CB 3.77Å; I545-L611 HydrophobicContact CG2-CD1 3.44Å; I545-L611 VanDerWaalsContact CG2-CD1 3.44Å
546	W	96.8	Very high	91.7	Very high	1 Å²	1	28.6 Å²	28.6	0%	0.004	16%	0.159	C	C	.	.	H	α-helix	trans	-63.7	-46.9	172.6	175.2	-80.5	0	0	0	111.5	M529 P531 K542 A543 D544 V548 A549 C550 W562 I574 T579 F599	M529-W546 PolarHBondContact O-NE1 3.06Å; P531-W546 HydrophobicContact CG-CH2 3.62Å; P531-W546 HydrophobicContact CG-CZ2 4.06Å; P531-W546 HydrophobicContact CG-CZ3 3.99Å; K542-W546 PolarHBondContact O-N 3.41Å; A543-W546 WeakPolarHBondContact O-CB 3.5Å; A543-W546 PolarHBondContact O-N 3.19Å; D544-W546 VanDerWaalsContact C-N 3.34Å; D544-W546 PolarHBondContact O-N 3.31Å; W546-V548 PolarHBondContact O-N 2.78Å; W546-A549 WeakPolarHBondContact O-CA 3.48Å; W546-A549 WeakPolarHBondContact O-CB 3.43Å; W546-A549 PolarHBondContact O-N 3.37Å; W546-C550 PolarHBondContact NE1-SG 3.45Å; W546-C550 PolarHBondContact O-N 2.75Å; W546-W562 HydrophobicContact CH2-CH2 4.4Å; W546-W562 AromaticContact CZ2-CH2 3.65Å; W546-W562 HydrophobicContact CZ2-CH2 3.65Å; W546-W562 HydrophobicContact CZ2-CZ3 4.16Å; W546-I574 HydrophobicContact CH2-CG2 4.49Å; W546-I574 HydrophobicContact CZ2-CG2 3.84Å; W546-T579 HydrophobicContact CH2-CG2 3.8Å; W546-T579 WeakPolarHBondContact CH2-OG1 3.46Å; W546-T579 HydrophobicContact CZ2-CG2 4.14Å; W546-F599 HydrophobicContact CD2-CD1 4.05Å; W546-F599 HydrophobicContact CD2-CE1 4.21Å; W546-F599 AromaticContact CE3-CD1 3.84Å; W546-F599 HydrophobicContact CE3-CD1 3.84Å; W546-F599 HydrophobicContact CE3-CE1 4.45Å; W546-F599 AromaticContact CH2-CD1 3.82Å; W546-F599 HydrophobicContact CH2-CD1 3.82Å; W546-F599 AromaticContact CZ2-CD1 3.96Å; W546-F599 HydrophobicContact CZ2-CD1 3.96Å; W546-F599 HydrophobicContact CZ2-CE1 4.24Å; W546-F599 HydrophobicContact CZ3-CB 4.4Å; W546-F599 AromaticContact CZ3-CD1 3.75Å; W546-F599 HydrophobicContact CZ3-CD1 3.75Å
547	S	96.6	Very high	92.6	Very high	10 Å²	10	27.6 Å²	27.6	7%	0.07	14%	0.141	C	C	.	.	H	α-helix	trans	-61.3	-31.7	177	-52.1	0	0	0	0	112.5	I485 W528 A543 D544 C550 T551	I485-S547 WeakPolarHBondContact O-CB 3.28Å; W528-S547 WeakPolarHBondContact O-CB 3.44Å; W528-S547 PolarHBondContact O-OG 3.13Å; A543-S547 PolarHBondContact O-N 3.09Å; A543-S547 PolarHBondContact O-OG 3.1Å; A543-S547 VanDerWaalsContact O-OG 3.13Å; D544-S547 PolarHBondContact O-N 3.42Å; S547-C550 PolarHBondContact O-N 2.96Å; S547-T551 WeakPolarHBondContact O-CB 3.49Å; S547-T551 PolarHBondContact O-N 2.78Å; S547-T551 PolarHBondContact O-OG1 3.41Å
548	V	98.1	Very high	93.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-61.2	-48.1	167.9	172.7	0	0	0	0	111.1	T465 I468 L469 V472 I485 D544 I545 W546 C550 T551 V552	T465-V548 HydrophobicContact CG2-CG1 4.49Å; I468-V548 HydrophobicContact CG2-CG1 4.08Å; I468-V548 HydrophobicContact CG2-CG2 3.69Å; L469-V548 HydrophobicContact CD2-CG1 4.17Å; V472-V548 HydrophobicContact CG2-CG2 3.97Å; I485-V548 HydrophobicContact CD1-CG2 3.97Å; I485-V548 HydrophobicContact CG2-CG2 4.06Å; D544-V548 WeakPolarHBondContact O-CG2 3.44Å; D544-V548 PolarHBondContact O-N 3.16Å; I545-V548 WeakPolarHBondContact O-CB 3.49Å; I545-V548 PolarHBondContact O-N 2.92Å; W546-V548 PolarHBondContact O-N 2.78Å; V548-C550 PolarHBondContact O-N 3.48Å; V548-T551 CarbonylContact O-C 3.58Å; V548-T551 WeakPolarHBondContact O-CA 3.39Å; V548-T551 WeakPolarHBondContact O-CB 3.41Å; V548-T551 PolarHBondContact O-N 2.86Å; V548-V552 WeakPolarHBondContact O-CG2 3.25Å; V548-V552 PolarHBondContact O-N 2.79Å
549	A	97.9	Very high	95.1	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-63.2	-39.1	176.8	0	0	0	0	0	112.9	I545 W546 T551 V552 V553 L595 I598 F599	I545-A549 PolarHBondContact O-N 2.86Å; W546-A549 WeakPolarHBondContact O-CA 3.48Å; W546-A549 WeakPolarHBondContact O-CB 3.43Å; W546-A549 PolarHBondContact O-N 3.37Å; A549-T551 VanDerWaalsContact C-N 3.26Å; A549-T551 PolarHBondContact O-N 3.42Å; A549-V552 PolarHBondContact O-N 2.79Å; A549-V552 VanDerWaalsContact O-N 3.15Å; A549-V553 PolarHBondContact O-N 2.85Å; A549-L595 HydrophobicContact CB-CD2 3.71Å; A549-I598 HydrophobicContact CB-CB 3.89Å; A549-I598 HydrophobicContact CB-CD1 3.98Å; A549-I598 HydrophobicContact CB-CG2 3.43Å; A549-I598 VanDerWaalsContact CB-CG2 3.43Å; A549-F599 HydrophobicContact CB-CE1 4.1Å; A549-F599 HydrophobicContact CB-CE2 3.85Å; A549-F599 HydrophobicContact CB-CZ 3.6Å
550	C	97.7	Very high	96	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-59.2	-38.2	170.6	-64.5	0	0	0	0	112.1	Y527 W528 W546 S547 V548 V553 E554 P561	Y527-C550 PolarHBondContact O-SG 2.78Å; W528-C550 HydrophobicContact CB-CB 4.17Å; W528-C550 HydrophobicContact CG-CB 3.94Å; W546-C550 PolarHBondContact NE1-SG 3.45Å; W546-C550 PolarHBondContact O-N 2.75Å; S547-C550 PolarHBondContact O-N 2.96Å; V548-C550 PolarHBondContact O-N 3.48Å; C550-V553 PolarHBondContact O-N 3.2Å; C550-E554 WeakPolarHBondContact O-CB 3.29Å; C550-E554 PolarHBondContact O-N 2.86Å; C550-P561 HydrophobicContact CB-CG 3.78Å; C550-P561 VanDerWaalsContact SG-CG 3.57Å
551	T	97.9	Very high	96.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-69.8	-32.8	175.4	-51.5	0	0	0	0	112.4	K486 I490 S547 V548 A549 E554 M555	K486-T551 WeakPolarHBondContact CA-OG1 3.37Å; I490-T551 HydrophobicContact CD1-CG2 3.6Å; S547-T551 WeakPolarHBondContact O-CB 3.49Å; S547-T551 PolarHBondContact O-N 2.78Å; S547-T551 PolarHBondContact O-OG1 3.41Å; V548-T551 CarbonylContact O-C 3.58Å; V548-T551 WeakPolarHBondContact O-CA 3.39Å; V548-T551 WeakPolarHBondContact O-CB 3.41Å; V548-T551 PolarHBondContact O-N 2.86Å; A549-T551 VanDerWaalsContact C-N 3.26Å; A549-T551 PolarHBondContact O-N 3.42Å; T551-E554 WeakPolarHBondContact O-CB 3.38Å; T551-E554 PolarHBondContact O-N 3.49Å; T551-M555 HydrophobicContact CG2-CE 4.3Å; T551-M555 WeakPolarHBondContact O-CG 3.44Å; T551-M555 PolarHBondContact O-N 2.99Å
552	V	98.2	Very high	96.3	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	9%	0.094	C	C	.	.	H	α-helix	trans	-66.5	-38.4	173	173.8	0	0	0	0	111.3	T461 T465 V548 A549 M555 L556 F594 L595 F616	T461-V552 HydrophobicContact CG2-CG1 3.91Å; T465-V552 HydrophobicContact CG2-CG2 3.7Å; T465-V552 VanDerWaalsContact OG1-CG2 3.29Å; T465-V552 WeakPolarHBondContact OG1-CG2 3.44Å; V548-V552 WeakPolarHBondContact O-CG2 3.25Å; V548-V552 PolarHBondContact O-N 2.79Å; A549-V552 PolarHBondContact O-N 2.79Å; A549-V552 VanDerWaalsContact O-N 3.15Å; V552-M555 HydrophobicContact CG2-CE 4.09Å; V552-L556 HydrophobicContact CG1-CD1 4.03Å; V552-L556 WeakPolarHBondContact O-CD1 3.17Å; V552-L556 VanDerWaalsContact O-CG 3.3Å; V552-L556 WeakPolarHBondContact O-CG 3.32Å; V552-L556 PolarHBondContact O-N 2.69Å; V552-F594 HydrophobicContact CG2-CE1 4.19Å; V552-L595 HydrophobicContact CB-CD2 3.97Å; V552-L595 HydrophobicContact CG1-CD1 4.3Å; V552-L595 HydrophobicContact CG1-CD2 3.92Å; V552-L595 HydrophobicContact CG1-CG 4.44Å; V552-F616 HydrophobicContact CG1-CE1 4.4Å
553	V	97.6	Very high	96.1	Very high	3 Å²	3	18.1 Å²	18.1	2%	0.018	10%	0.096	C	C	.	.	H	α-helix	trans	-62.4	-52	170.3	178.6	0	0	0	0	110.1	A549 C550 M555 L556 T557 P561 P581 L583 L595 F599	A549-V553 PolarHBondContact O-N 2.85Å; C550-V553 PolarHBondContact O-N 3.2Å; V553-M555 VanDerWaalsContact C-N 3.26Å; V553-M555 PolarHBondContact O-N 2.78Å; V553-L556 CarbonylContact O-C 3.55Å; V553-L556 WeakPolarHBondContact O-CA 3.4Å; V553-L556 PolarHBondContact O-N 3.24Å; V553-T557 HydrophobicContact CG1-CG2 4.23Å; V553-T557 PolarHBondContact O-N 2.66Å; V553-T557 PolarHBondContact O-OG1 3.28Å; V553-P561 HydrophobicContact CB-CB 4.42Å; V553-P561 HydrophobicContact CG1-CB 4.11Å; V553-P561 HydrophobicContact CG2-CB 4.46Å; V553-P581 HydrophobicContact CG1-CB 4.39Å; V553-P581 HydrophobicContact CG2-CB 3.99Å; V553-P581 HydrophobicContact CG2-CG 3.72Å; V553-L583 HydrophobicContact CG2-CD2 4.07Å; V553-L595 HydrophobicContact CG2-CD1 4.29Å; V553-F599 HydrophobicContact CG2-CE2 4.33Å; V553-F599 HydrophobicContact CG2-CZ 4.31Å
554	E	97.8	Very high	95.9	Very high	9 Å²	9	23 Å²	23	4%	0.042	12%	0.118	C	C	.	.	H	α-helix	trans	-50.3	-44	177.7	-176.4	-171.1	-178.9	0	0	112.6	L450 G487 W528 C550 T551 L556 E558 K559	L450-E554 HydrophobicContact CD1-CG 3.81Å; L450-E554 WeakPolarHBondContact CD1-O 3.33Å; G487-E554 WeakPolarHBondContact CA-OE1 3.4Å; G487-E554 PolarHBondContact N-OE1 2.91Å; G487-E554 PolarHBondContact N-OE2 3.01Å; W528-E554 HydrophobicContact CZ2-CG 4.31Å; W528-E554 WeakPolarHBondContact CZ2-OE2 3.28Å; W528-E554 PolarHBondContact NE1-OE2 2.8Å; C550-E554 WeakPolarHBondContact O-CB 3.29Å; C550-E554 PolarHBondContact O-N 2.86Å; T551-E554 WeakPolarHBondContact O-CB 3.38Å; T551-E554 PolarHBondContact O-N 3.49Å; E554-L556 PolarHBondContact O-N 2.75Å; E554-E558 WeakPolarHBondContact O-CA 3.15Å; E554-E558 PolarHBondContact O-N 3.4Å; E554-K559 WeakPolarHBondContact CA-O 3.18Å
555	M	98.3	Very high	95.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-64.4	-34.7	175.8	-75.7	-172.1	-72.2	0	0	113.5	I446 L456 T461 Y464 I468 T551 V552 V553	I446-M555 HydrophobicContact CD1-SD 3.9Å; I446-M555 HydrophobicContact CG2-CG 3.83Å; I446-M555 HydrophobicContact CG2-SD 4.41Å; L456-M555 HydrophobicContact CB-CB 4.46Å; L456-M555 WeakPolarHBondContact CB-O 3.27Å; L456-M555 HydrophobicContact CD1-CB 4.03Å; L456-M555 HydrophobicContact CD1-CG 3.79Å; L456-M555 HydrophobicContact CD1-SD 3.95Å; L456-M555 HydrophobicContact CG-CB 4.3Å; L456-M555 PolarHBondContact N-O 3.5Å; T461-M555 HydrophobicContact CG2-CB 3.95Å; T461-M555 HydrophobicContact CG2-CE 4.01Å; T461-M555 HydrophobicContact CG2-SD 4.49Å; Y464-M555 HydrophobicContact CD2-SD 3.88Å; Y464-M555 HydrophobicContact CG-SD 4.35Å; I468-M555 HydrophobicContact CD1-CE 4.09Å; T551-M555 HydrophobicContact CG2-CE 4.3Å; T551-M555 WeakPolarHBondContact O-CG 3.44Å; T551-M555 PolarHBondContact O-N 2.99Å; V552-M555 HydrophobicContact CG2-CE 4.09Å; V553-M555 VanDerWaalsContact C-N 3.26Å; V553-M555 PolarHBondContact O-N 2.78Å
556	L	97.9	Very high	95.3	Very high	6 Å²	6	32.7 Å²	32.7	3%	0.031	16%	0.163	C	C	.	.	H	α-helix	trans	-89	-14	-176.7	-67.4	167.7	0	0	0	114.4	E458 T461 V552 V553 E554 P584 V587 T591	E458-L556 HydrophobicContact CB-CD2 4.43Å; T461-L556 HydrophobicContact CG2-CD1 4.22Å; T461-L556 HydrophobicContact CG2-CD2 3.94Å; T461-L556 HydrophobicContact CG2-CG 3.82Å; V552-L556 HydrophobicContact CG1-CD1 4.03Å; V552-L556 WeakPolarHBondContact O-CD1 3.17Å; V552-L556 VanDerWaalsContact O-CG 3.3Å; V552-L556 WeakPolarHBondContact O-CG 3.32Å; V552-L556 PolarHBondContact O-N 2.69Å; V553-L556 CarbonylContact O-C 3.55Å; V553-L556 WeakPolarHBondContact O-CA 3.4Å; V553-L556 PolarHBondContact O-N 3.24Å; E554-L556 PolarHBondContact O-N 2.75Å; L556-P584 WeakPolarHBondContact O-CG 3.29Å; L556-V587 HydrophobicContact CD1-CG2 4.26Å; L556-V587 HydrophobicContact CD2-CG2 4.31Å; L556-T591 HydrophobicContact CD1-CG2 3.88Å
557	T	96.4	Very high	94.8	Very high	41 Å²	41	34 Å²	34	25%	0.252	17%	0.174	S	C	.	.	H	α-helix	trans	-134.6	3.3	-171.4	65.1	0	0	0	0	114.7	V553 K559 P584	V553-T557 HydrophobicContact CG1-CG2 4.23Å; V553-T557 PolarHBondContact O-N 2.66Å; V553-T557 PolarHBondContact O-OG1 3.28Å; T557-K559 PolarHBondContact O-N 3.32Å; T557-K559 PolarHBondContact OG1-N 3.18Å; T557-K559 PolarHBondContact OG1-O 2.99Å; T557-P584 HydrophobicContact CG2-CG 4.13Å
558	E	95.9	Very high	94.3	Very high	100 Å²	100	38.6 Å²	38.6	47%	0.467	20%	0.195	S	C	.	.	S	Bend	trans	64.5	-4.4	-171.9	-58.1	160.6	-160	0	0	115	L450 G454 A455 E554	L450-E558 HydrophobicContact CD2-CG 4.4Å; G454-E558 WeakPolarHBondContact CA-OE1 3.46Å; A455-E558 HydrophobicContact CB-CG 3.98Å; A455-E558 PolarHBondContact N-OE1 2.75Å; E554-E558 WeakPolarHBondContact O-CA 3.15Å; E554-E558 PolarHBondContact O-N 3.4Å
559	K	94.3	Very high	93.8	Very high	130 Å²	130	40.6 Å²	40.6	57%	0.565	21%	0.212	S	C	*	.	S	Bend	trans	-138.4	141	-167.8	-62.4	-179.7	-176.1	178.4	0	110.1	E554 T557 A563	E554-K559 WeakPolarHBondContact CA-O 3.18Å; T557-K559 PolarHBondContact O-N 3.32Å; T557-K559 PolarHBondContact OG1-N 3.18Å; T557-K559 PolarHBondContact OG1-O 2.99Å; K559-A563 HydrophobicContact CB-CB 3.88Å
560	P	93.3	Very high	93.4	Very high	22 Å²	22	40.6 Å²	40.6	14%	0.143	21%	0.212	C	C	.	.			trans	-60.3	160.8	174.2	27.9	-34.5	0	0	0	111.2	Y527 W528 A563	Y527-P560 HydrophobicContact CD2-CG 3.95Å; Y527-P560 HydrophobicContact CG-CB 4.18Å; Y527-P560 HydrophobicContact CG-CG 3.92Å; W528-P560 HydrophobicContact CD2-CB 4.21Å; W528-P560 HydrophobicContact CE3-CB 4.23Å; W528-P560 HydrophobicContact CH2-CB 3.66Å; W528-P560 HydrophobicContact CH2-CG 3.58Å; W528-P560 HydrophobicContact CZ2-CB 3.62Å; W528-P560 HydrophobicContact CZ2-CG 4Å; W528-P560 HydrophobicContact CZ3-CB 3.95Å; W528-P560 HydrophobicContact CZ3-CG 3.93Å; P560-A563 HydrophobicContact CG-CB 4.08Å; P560-A563 VanDerWaalsContact O-CB 3.24Å; P560-A563 WeakPolarHBondContact O-CB 3.36Å; P560-A563 PolarHBondContact O-N 3.3Å
561	P	92.7	Very high	93	Very high	3 Å²	3	42.2 Å²	42.2	2%	0.019	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	143.7	174.7	28.6	-35.8	0	0	0	110.3	Y527 C550 V553 A563 P581	Y527-P561 WeakPolarHBondContact CB-O 3.35Å; Y527-P561 WeakPolarHBondContact CD1-O 3.47Å; C550-P561 HydrophobicContact CB-CG 3.78Å; C550-P561 VanDerWaalsContact SG-CG 3.57Å; V553-P561 HydrophobicContact CB-CB 4.42Å; V553-P561 HydrophobicContact CG1-CB 4.11Å; V553-P561 HydrophobicContact CG2-CB 4.46Å; P561-A563 PolarHBondContact O-N 2.84Å; P561-P581 HydrophobicContact CB-CB 3.81Å
562	W	92.3	Very high	92.5	Very high	10 Å²	10	48.4 Å²	48.4	4%	0.038	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	64.3	19.8	-179.3	-39.9	-66.1	0	0	0	115.1	Y527 W546 E564 F565 K573 I574 T579 F599	Y527-W562 WeakPolarHBondContact CE1-O 3.06Å; W546-W562 HydrophobicContact CH2-CH2 4.4Å; W546-W562 AromaticContact CZ2-CH2 3.65Å; W546-W562 HydrophobicContact CZ2-CH2 3.65Å; W546-W562 HydrophobicContact CZ2-CZ3 4.16Å; W562-E564 VanDerWaalsContact C-OE2 3.23Å; W562-E564 WeakPolarHBondContact CA-OE2 3.27Å; W562-E564 PolarHBondContact O-N 2.93Å; W562-E564 VanDerWaalsContact O-N 3.1Å; W562-F565 HydrophobicContact CB-CD2 3.88Å; W562-F565 WeakPolarHBondContact O-CB 3.41Å; W562-F565 PolarHBondContact O-N 3.07Å; W562-K573 HydrophobicContact CG-CD 4.33Å; W562-I574 HydrophobicContact CD2-CG1 4.11Å; W562-I574 HydrophobicContact CE3-CD1 3.61Å; W562-I574 HydrophobicContact CE3-CG1 3.57Å; W562-I574 HydrophobicContact CH2-CG1 4.29Å; W562-I574 HydrophobicContact CZ3-CD1 3.76Å; W562-I574 HydrophobicContact CZ3-CG1 3.66Å; W562-T579 HydrophobicContact CH2-CG2 4.14Å; W562-T579 HydrophobicContact CZ2-CG2 3.83Å; W562-T579 WeakPolarHBondContact CZ2-O 3.38Å; W562-F599 HydrophobicContact CH2-CD1 4.21Å; W562-F599 AromaticContact CH2-CE1 3.88Å; W562-F599 HydrophobicContact CH2-CE1 3.88Å
563	A	91.1	Very high	92.1	Very high	40 Å²	40	50.1 Å²	50.1	33%	0.331	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-6.5	174.9	0	0	0	0	0	115.1	K559 P560 P561 F565	K559-A563 HydrophobicContact CB-CB 3.88Å; P560-A563 HydrophobicContact CG-CB 4.08Å; P560-A563 VanDerWaalsContact O-CB 3.24Å; P560-A563 WeakPolarHBondContact O-CB 3.36Å; P560-A563 PolarHBondContact O-N 3.3Å; P561-A563 PolarHBondContact O-N 2.84Å; A563-F565 VanDerWaalsContact C-N 3.29Å
564	E	90.6	Very high	91.7	Very high	104 Å²	104	50.1 Å²	50.1	49%	0.486	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.4	-7.7	168	72.4	-91.3	-131.1	0	0	113.8	W562 K582	W562-E564 VanDerWaalsContact C-OE2 3.23Å; W562-E564 WeakPolarHBondContact CA-OE2 3.27Å; W562-E564 PolarHBondContact O-N 2.93Å; W562-E564 VanDerWaalsContact O-N 3.1Å; E564-K582 WeakPolarHBondContact OE1-CE 3.37Å; E564-K582 IonicContact OE1-NZ 2.68Å; E564-K582 PolarHBondContact OE1-NZ 3.26Å
565	F	90.3	Very high	91.2	Very high	71 Å²	71	52.2 Å²	52.2	31%	0.311	27%	0.274	S	S	.	.	S	Bend	trans	-104.3	147	176.7	-61.8	-87.6	0	0	0	110.8	Y527 W562 A563 A569 A570 K573	Y527-F565 WeakPolarHBondContact CE1-O 3.45Å; Y527-F565 PolarHBondContact OH-O 3.16Å; Y527-F565 VanDerWaalsContact OH-O 3.1Å; W562-F565 HydrophobicContact CB-CD2 3.88Å; W562-F565 WeakPolarHBondContact O-CB 3.41Å; W562-F565 PolarHBondContact O-N 3.07Å; A563-F565 VanDerWaalsContact C-N 3.29Å; F565-A569 HydrophobicContact CB-CB 4.17Å; F565-A569 HydrophobicContact CD1-CB 4.4Å; F565-A570 HydrophobicContact CB-CB 4.11Å; F565-K573 HydrophobicContact CD2-CD 3.95Å; F565-K573 HydrophobicContact CE1-CD 4.27Å; F565-K573 HydrophobicContact CE2-CD 3.55Å; F565-K573 HydrophobicContact CG-CD 4.47Å; F565-K573 HydrophobicContact CZ-CD 3.74Å
566	E	89.3	Confident	90.4	Very high	136 Å²	136	56 Å²	56	64%	0.636	30%	0.297	S	S	*	.			trans	-66.6	161.5	170	-162	-116.3	103.2	0	0	111	M568 A569 A570	E566-M568 PolarHBondContact O-N 3.11Å; E566-M568 PolarHBondContact OE1-N 3.25Å; E566-A569 PolarHBondContact O-N 2.94Å; E566-A570 WeakPolarHBondContact O-CB 3.44Å; E566-A570 PolarHBondContact O-N 3.11Å
567	A	86.4	Confident	89.7	Confident	28 Å²	28	59.8 Å²	59.8	23%	0.231	31%	0.314	C	S	.	.	H	α-helix	trans	-56.9	-43.9	-166.9	0	0	0	0	0	113.2	P526 I571	P526-A567 HydrophobicContact CG-CB 3.99Å; A567-I571 VanDerWaalsContact O-CG1 3.29Å; A567-I571 WeakPolarHBondContact O-CG1 3.5Å; A567-I571 PolarHBondContact O-N 2.61Å; A567-I571 VanDerWaalsContact O-N 3.12Å
568	M	86.1	Confident	88.6	Confident	107 Å²	107	63 Å²	63	53%	0.527	34%	0.336	S	S	.	.	H	α-helix	trans	-72.4	-37.3	178	-64.4	-57.8	108.1	0	0	112.4	E566 I571 F572	E566-M568 PolarHBondContact O-N 3.11Å; E566-M568 PolarHBondContact OE1-N 3.25Å; M568-I571 HydrophobicContact CE-CD1 3.68Å; M568-I571 PolarHBondContact O-N 3.06Å; M568-I571 HydrophobicContact SD-CD1 4.32Å; M568-F572 PolarHBondContact O-N 3.4Å
569	A	88.4	Confident	87.7	Confident	42 Å²	42	59.1 Å²	59.1	35%	0.347	32%	0.319	S	S	.	.	H	α-helix	trans	-66.4	-37.5	176.3	0	0	0	0	0	112.2	F565 E566 K573	F565-A569 HydrophobicContact CB-CB 4.17Å; F565-A569 HydrophobicContact CD1-CB 4.4Å; E566-A569 PolarHBondContact O-N 2.94Å; A569-K573 VanDerWaalsContact O-CB 3.26Å; A569-K573 WeakPolarHBondContact O-CB 3.47Å; A569-K573 PolarHBondContact O-N 3.44Å
570	A	89.8	Confident	87.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-64.2	-45.5	172.8	0	0	0	0	0	111.5	Y527 F565 E566 K573 I574	Y527-A570 HydrophobicContact CD1-CB 3.75Å; Y527-A570 HydrophobicContact CE1-CB 3.53Å; F565-A570 HydrophobicContact CB-CB 4.11Å; E566-A570 WeakPolarHBondContact O-CB 3.44Å; E566-A570 PolarHBondContact O-N 3.11Å; A570-K573 PolarHBondContact O-N 3.33Å; A570-I574 WeakPolarHBondContact O-CD1 3.35Å; A570-I574 WeakPolarHBondContact O-CG1 3.16Å; A570-I574 PolarHBondContact O-N 3.48Å
571	I	88.3	Confident	86.9	Confident	34 Å²	34	58.1 Å²	58.1	17%	0.174	32%	0.32	C	S	.	.	H	α-helix	trans	-57.8	-50.7	174.9	-73.8	171.5	0	0	0	111	P526 I534 A567 M568 K573 I574 A575	P526-I571 HydrophobicContact CB-CD1 3.73Å; P526-I571 HydrophobicContact CB-CG1 3.58Å; P526-I571 HydrophobicContact CG-CD1 4.05Å; P526-I571 HydrophobicContact CG-CG1 3.95Å; I534-I571 HydrophobicContact CD1-CG1 4.39Å; I534-I571 HydrophobicContact CD1-CG2 4.32Å; I534-I571 HydrophobicContact CG1-CG2 4.44Å; I534-I571 HydrophobicContact CG2-CG2 3.59Å; A567-I571 VanDerWaalsContact O-CG1 3.29Å; A567-I571 WeakPolarHBondContact O-CG1 3.5Å; A567-I571 PolarHBondContact O-N 2.61Å; A567-I571 VanDerWaalsContact O-N 3.12Å; M568-I571 HydrophobicContact CE-CD1 3.68Å; M568-I571 PolarHBondContact O-N 3.06Å; M568-I571 HydrophobicContact SD-CD1 4.32Å; I571-K573 VanDerWaalsContact C-N 3.32Å; I571-K573 PolarHBondContact O-N 2.79Å; I571-I574 PolarHBondContact O-N 3.1Å; I571-A575 WeakPolarHBondContact O-CB 3.2Å; I571-A575 PolarHBondContact O-N 3.48Å
572	F	87.8	Confident	86.7	Confident	129 Å²	129	65.6 Å²	65.6	57%	0.566	35%	0.352	S	S	*	.	H	α-helix	trans	-59.3	-43.4	177.9	-179	-98	0	0	0	111.7	M568 A575 T576	M568-F572 PolarHBondContact O-N 3.4Å; F572-A575 PolarHBondContact O-N 2.85Å; F572-T576 HydrophobicContact CD2-CG2 4.13Å; F572-T576 HydrophobicContact CE2-CG2 3.84Å; F572-T576 HydrophobicContact CZ-CG2 4.06Å; F572-T576 WeakPolarHBondContact O-CB 3.4Å; F572-T576 PolarHBondContact O-N 3.44Å; F572-T576 PolarHBondContact O-OG1 2.92Å
573	K	89.3	Confident	86.8	Confident	38 Å²	38	67 Å²	67	17%	0.165	36%	0.36	C	S	.	.	H	α-helix	trans	-61.3	-45.8	176.8	-177.5	172.8	-172.1	70.9	0	112.4	W562 F565 A569 A570 I571 A575 T576 Q577	W562-K573 HydrophobicContact CG-CD 4.33Å; F565-K573 HydrophobicContact CD2-CD 3.95Å; F565-K573 HydrophobicContact CE1-CD 4.27Å; F565-K573 HydrophobicContact CE2-CD 3.55Å; F565-K573 HydrophobicContact CG-CD 4.47Å; F565-K573 HydrophobicContact CZ-CD 3.74Å; A569-K573 VanDerWaalsContact O-CB 3.26Å; A569-K573 WeakPolarHBondContact O-CB 3.47Å; A569-K573 PolarHBondContact O-N 3.44Å; A570-K573 PolarHBondContact O-N 3.33Å; I571-K573 VanDerWaalsContact C-N 3.32Å; I571-K573 PolarHBondContact O-N 2.79Å; K573-A575 VanDerWaalsContact C-N 3.3Å; K573-A575 PolarHBondContact O-N 2.94Å; K573-T576 PolarHBondContact O-N 3.14Å; K573-Q577 HydrophobicContact CG-CB 4.22Å; K573-Q577 HydrophobicContact CG-CG 4.49Å; K573-Q577 WeakPolarHBondContact O-CB 3.45Å; K573-Q577 PolarHBondContact O-N 3.48Å
574	I	89.9	Confident	86.8	Confident	3 Å²	3	66.2 Å²	66.2	2%	0.015	35%	0.352	C	S	.	.	H	α-helix	trans	-64.3	-36.9	179.4	-66.1	160.9	0	0	0	111.1	P531 I534 W546 W562 A570 I571 T579	P531-I574 HydrophobicContact CB-CG2 4.44Å; P531-I574 HydrophobicContact CG-CG2 3.85Å; I534-I574 HydrophobicContact CD1-CB 3.79Å; I534-I574 HydrophobicContact CD1-CD1 4.16Å; I534-I574 HydrophobicContact CD1-CG2 3.61Å; W546-I574 HydrophobicContact CH2-CG2 4.49Å; W546-I574 HydrophobicContact CZ2-CG2 3.84Å; W562-I574 HydrophobicContact CD2-CG1 4.11Å; W562-I574 HydrophobicContact CE3-CD1 3.61Å; W562-I574 HydrophobicContact CE3-CG1 3.57Å; W562-I574 HydrophobicContact CH2-CG1 4.29Å; W562-I574 HydrophobicContact CZ3-CD1 3.76Å; W562-I574 HydrophobicContact CZ3-CG1 3.66Å; A570-I574 WeakPolarHBondContact O-CD1 3.35Å; A570-I574 WeakPolarHBondContact O-CG1 3.16Å; A570-I574 PolarHBondContact O-N 3.48Å; I571-I574 PolarHBondContact O-N 3.1Å; I574-T579 HydrophobicContact CB-CG2 4.4Å; I574-T579 HydrophobicContact CG1-CG2 4.48Å; I574-T579 HydrophobicContact CG2-CG2 4.37Å
575	A	86.4	Confident	86.8	Confident	53 Å²	53	67.2 Å²	67.2	44%	0.438	37%	0.367	S	S	.	.	H	α-helix	trans	-76.4	-29.9	-180	0	0	0	0	0	114.5	I534 I571 F572 K573	I534-A575 HydrophobicContact CG2-CB 3.91Å; I571-A575 WeakPolarHBondContact O-CB 3.2Å; I571-A575 PolarHBondContact O-N 3.48Å; F572-A575 PolarHBondContact O-N 2.85Å; K573-A575 VanDerWaalsContact C-N 3.3Å; K573-A575 PolarHBondContact O-N 2.94Å
576	T	82.8	Confident	86.8	Confident	80 Å²	80	70.9 Å²	70.9	49%	0.491	39%	0.385	S	S	.	.	H	α-helix	trans	-121	-12.8	-166.3	63.8	0	0	0	0	115.9	F572 K573	F572-T576 HydrophobicContact CD2-CG2 4.13Å; F572-T576 HydrophobicContact CE2-CG2 3.84Å; F572-T576 HydrophobicContact CZ-CG2 4.06Å; F572-T576 WeakPolarHBondContact O-CB 3.4Å; F572-T576 PolarHBondContact O-N 3.44Å; F572-T576 PolarHBondContact O-OG1 2.92Å; K573-T576 PolarHBondContact O-N 3.14Å
577	Q	81.8	Confident	87.1	Confident	84 Å²	84	64.7 Å²	64.7	39%	0.393	36%	0.356	S	S	.	.	S	Bend	trans	-125.6	159.6	-171.1	-57.1	-176.8	8.5	0	0	113	K573 T579	K573-Q577 HydrophobicContact CG-CB 4.22Å; K573-Q577 HydrophobicContact CG-CG 4.49Å; K573-Q577 WeakPolarHBondContact O-CB 3.45Å; K573-Q577 PolarHBondContact O-N 3.48Å; Q577-T579 PolarHBondContact O-N 2.67Å
578	P	74.4	Confident	87.5	Confident	109 Å²	109	64.9 Å²	64.9	71%	0.708	36%	0.356	S	S	*	.			trans	-56.4	121.5	171	-26.2	35.9	0	0	0	112.3	N580	P578-N580 VanDerWaalsContact C-N 3.35Å; P578-N580 PolarHBondContact O-N 2.92Å
579	T	76.9	Confident	87.9	Confident	19 Å²	19	65.7 Å²	65.7	12%	0.117	36%	0.362	C	S	.	.			trans	-96.1	44.8	-166.9	27.1	0	0	0	0	113.1	W546 W562 I574 Q577 P581 F599	W546-T579 HydrophobicContact CH2-CG2 3.8Å; W546-T579 WeakPolarHBondContact CH2-OG1 3.46Å; W546-T579 HydrophobicContact CZ2-CG2 4.14Å; W562-T579 HydrophobicContact CH2-CG2 4.14Å; W562-T579 HydrophobicContact CZ2-CG2 3.83Å; W562-T579 WeakPolarHBondContact CZ2-O 3.38Å; I574-T579 HydrophobicContact CB-CG2 4.4Å; I574-T579 HydrophobicContact CG1-CG2 4.48Å; I574-T579 HydrophobicContact CG2-CG2 4.37Å; Q577-T579 PolarHBondContact O-N 2.67Å; T579-P581 WeakPolarHBondContact O-CD 3.38Å; T579-F599 WeakPolarHBondContact O-CB 3.26Å
580	N	85.2	Confident	88.3	Confident	110 Å²	110	69.3 Å²	69.3	59%	0.588	37%	0.368	S	S	*	.	P	Polyproline II helix	trans	-82.1	116.7	169.7	-75.3	-53	0	0	0	110	P578	P578-N580 VanDerWaalsContact C-N 3.35Å; P578-N580 PolarHBondContact O-N 2.92Å
581	P	86.3	Confident	88.6	Confident	20 Å²	20	69.3 Å²	69.3	13%	0.13	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-76.5	155.4	175.1	33.1	-36.6	0	0	0	111.8	V553 P561 T579 L583 F599	V553-P581 HydrophobicContact CG1-CB 4.39Å; V553-P581 HydrophobicContact CG2-CB 3.99Å; V553-P581 HydrophobicContact CG2-CG 3.72Å; P561-P581 HydrophobicContact CB-CB 3.81Å; T579-P581 WeakPolarHBondContact O-CD 3.38Å; P581-L583 HydrophobicContact CG-CD2 4.44Å; P581-F599 HydrophobicContact CG-CD2 4.04Å; P581-F599 HydrophobicContact CG-CE2 3.57Å; P581-F599 HydrophobicContact CG-CZ 4.1Å
582	K	88.4	Confident	88.9	Confident	160 Å²	160	70.5 Å²	70.5	70%	0.696	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-70.6	129.1	168.7	-67.2	167.3	-178.6	162.3	0	108.9	E564	E564-K582 WeakPolarHBondContact OE1-CE 3.37Å; E564-K582 IonicContact OE1-NZ 2.68Å; E564-K582 PolarHBondContact OE1-NZ 3.26Å
583	L	92.5	Very high	89.3	Confident	41 Å²	41	67.1 Å²	67.1	22%	0.215	36%	0.358	C	S	.	.			trans	-120	147.6	178.2	-62	174.4	0	0	0	110	V553 P581 R592 L595	V553-L583 HydrophobicContact CG2-CD2 4.07Å; P581-L583 HydrophobicContact CG-CD2 4.44Å; L583-R592 HydrophobicContact CD1-CG 4.16Å; L583-L595 HydrophobicContact CD1-CD1 3.81Å; L583-L595 HydrophobicContact CD2-CD1 3.67Å; L583-L595 HydrophobicContact CG-CD1 4.39Å
584	P	92.7	Very high	89.7	Confident	23 Å²	23	65.3 Å²	65.3	15%	0.149	35%	0.35	C	S	.	.			trans	-55.7	148.6	174.9	-21.3	30.3	0	0	0	112	L556 T557 H586 V587 R592	L556-P584 WeakPolarHBondContact O-CG 3.29Å; T557-P584 HydrophobicContact CG2-CG 4.13Å; P584-H586 VanDerWaalsContact C-N 3.28Å; P584-H586 VanDerWaalsContact CB-CE1 3.44Å; P584-H586 WeakPolarHBondContact CB-CE1 3.33Å; P584-H586 PolarHBondContact O-N 2.9Å; P584-V587 HydrophobicContact CB-CG2 4.06Å; P584-V587 HydrophobicContact CG-CG2 4.1Å; P584-V587 PolarHBondContact O-N 3.25Å; P584-R592 PolarHBondContact O-NH2 3.38Å
585	P	90.6	Very high	90	Very high	124 Å²	124	65.3 Å²	65.3	81%	0.805	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-29.9	-175.6	25.5	-34.2	0	0	0	112.9	V587 R592	P585-V587 VanDerWaalsContact C-N 3.29Å; P585-V587 PolarHBondContact O-N 3.27Å; P585-R592 PolarHBondContact O-NH2 2.93Å
586	H	89.9	Confident	90.5	Very high	148 Å²	148	68.9 Å²	68.9	69%	0.685	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-4.3	-178.9	61.3	-110	0	0	0	114.8	P584	P584-H586 VanDerWaalsContact C-N 3.28Å; P584-H586 VanDerWaalsContact CB-CE1 3.44Å; P584-H586 WeakPolarHBondContact CB-CE1 3.33Å; P584-H586 PolarHBondContact O-N 2.9Å
587	V	94.4	Very high	91.1	Very high	6 Å²	6	71.3 Å²	71.3	4%	0.036	36%	0.356	C	S	.	.			trans	-71.4	135.5	179.8	167.9	0	0	0	0	110.8	L556 P584 P585 T591 R592	L556-V587 HydrophobicContact CD1-CG2 4.26Å; L556-V587 HydrophobicContact CD2-CG2 4.31Å; P584-V587 HydrophobicContact CB-CG2 4.06Å; P584-V587 HydrophobicContact CG-CG2 4.1Å; P584-V587 PolarHBondContact O-N 3.25Å; P585-V587 VanDerWaalsContact C-N 3.29Å; P585-V587 PolarHBondContact O-N 3.27Å; V587-T591 VanDerWaalsContact CG1-CB 3.42Å; V587-T591 HydrophobicContact CG1-CG2 3.5Å; V587-R592 HydrophobicContact CG1-CG 4.4Å; V587-R592 VanDerWaalsContact O-CZ 3.25Å; V587-R592 PolarHBondContact O-NE 3.48Å; V587-R592 PolarHBondContact O-NH2 2.91Å
588	S	95.6	Very high	91.8	Very high	33 Å²	33	67.3 Å²	67.3	23%	0.231	34%	0.337	C	S	.	.			trans	-69.7	155.9	-174.2	74.6	0	0	0	0	113.5	E458 Y590 T591 R592	E458-S588 VanDerWaalsContact CD-OG 3.27Å; E458-S588 WeakPolarHBondContact OE1-CB 3.41Å; E458-S588 PolarHBondContact OE1-OG 2.91Å; E458-S588 WeakPolarHBondContact OE2-CB 3.24Å; E458-S588 PolarHBondContact OE2-N 3.33Å; E458-S588 PolarHBondContact OE2-OG 2.83Å; E458-S588 VanDerWaalsContact OE2-OG 3.12Å; S588-Y590 PolarHBondContact O-N 2.96Å; S588-T591 WeakPolarHBondContact O-CB 3.49Å; S588-T591 PolarHBondContact O-N 2.81Å; S588-T591 VanDerWaalsContact O-N 3.09Å; S588-T591 PolarHBondContact OG-N 2.98Å; S588-T591 PolarHBondContact OG-OG1 3.37Å; S588-T591 VanDerWaalsContact OG-OG1 3.12Å; S588-R592 WeakPolarHBondContact O-CG 3.45Å; S588-R592 PolarHBondContact O-N 2.8Å
589	D	95.4	Very high	92.8	Very high	124 Å²	124	62.7 Å²	62.7	66%	0.663	31%	0.306	S	S	*	.	H	α-helix	trans	-63.1	-28.2	176.9	-70	-54.1	0	0	0	113.1	T591 R592 D593	D589-T591 VanDerWaalsContact C-N 3.34Å; D589-T591 PolarHBondContact O-N 2.9Å; D589-R592 PolarHBondContact O-N 2.91Å; D589-D593 VanDerWaalsContact O-CB 3.29Å; D589-D593 WeakPolarHBondContact O-CB 3.37Å; D589-D593 PolarHBondContact O-N 2.65Å
590	Y	95.6	Very high	93.5	Very high	117 Å²	117	64.1 Å²	64.1	46%	0.459	32%	0.315	S	S	.	.	H	α-helix	trans	-62.5	-40.7	172.3	-59.5	-59.5	0	0	0	112.1	S588 F594 H614 M615	S588-Y590 PolarHBondContact O-N 2.96Å; Y590-F594 VanDerWaalsContact O-CB 3.31Å; Y590-F594 WeakPolarHBondContact O-CB 3.2Å; Y590-F594 PolarHBondContact O-N 2.94Å; Y590-H614 PolarHBondContact O-CE1 2.92Å; Y590-M615 HydrophobicContact CD1-CB 3.84Å; Y590-M615 HydrophobicContact CE1-CB 4.17Å
591	T	96.1	Very high	93.7	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-69.5	-40.9	174.9	-49.9	0	0	0	0	111.1	E458 L556 V587 S588 D589 F594 L595 F616	E458-T591 PolarHBondContact OE1-OG1 2.83Å; E458-T591 PolarHBondContact OE2-OG1 3.48Å; L556-T591 HydrophobicContact CD1-CG2 3.88Å; V587-T591 VanDerWaalsContact CG1-CB 3.42Å; V587-T591 HydrophobicContact CG1-CG2 3.5Å; S588-T591 WeakPolarHBondContact O-CB 3.49Å; S588-T591 PolarHBondContact O-N 2.81Å; S588-T591 VanDerWaalsContact O-N 3.09Å; S588-T591 PolarHBondContact OG-N 2.98Å; S588-T591 PolarHBondContact OG-OG1 3.37Å; S588-T591 VanDerWaalsContact OG-OG1 3.12Å; D589-T591 VanDerWaalsContact C-N 3.34Å; D589-T591 PolarHBondContact O-N 2.9Å; T591-F594 PolarHBondContact O-N 2.85Å; T591-L595 HydrophobicContact CG2-CD1 4.36Å; T591-L595 WeakPolarHBondContact O-CG 3.47Å; T591-L595 PolarHBondContact O-N 3.07Å; T591-L595 VanDerWaalsContact O-N 3.08Å; T591-F616 HydrophobicContact CG2-CD2 4.36Å; T591-F616 HydrophobicContact CG2-CE2 3.91Å; T591-F616 HydrophobicContact CG2-CZ 4.06Å; T591-F616 VanDerWaalsContact OG1-CD2 3.22Å; T591-F616 WeakPolarHBondContact OG1-CD2 3.23Å; T591-F616 WeakPolarHBondContact OG1-CE2 3.33Å
592	R	96	Very high	94	Very high	60 Å²	60	64.5 Å²	64.5	23%	0.226	32%	0.315	C	S	.	.	H	α-helix	trans	-62.6	-43	176.6	-64.6	174.4	-166.7	-74.5	-8.1	111.3	L583 P584 P585 V587 S588 D589 K596	L583-R592 HydrophobicContact CD1-CG 4.16Å; P584-R592 PolarHBondContact O-NH2 3.38Å; P585-R592 PolarHBondContact O-NH2 2.93Å; V587-R592 HydrophobicContact CG1-CG 4.4Å; V587-R592 VanDerWaalsContact O-CZ 3.25Å; V587-R592 PolarHBondContact O-NE 3.48Å; V587-R592 PolarHBondContact O-NH2 2.91Å; S588-R592 WeakPolarHBondContact O-CG 3.45Å; S588-R592 PolarHBondContact O-N 2.8Å; D589-R592 PolarHBondContact O-N 2.91Å; R592-K596 WeakPolarHBondContact O-CB 3.42Å; R592-K596 WeakPolarHBondContact O-CG 3.49Å; R592-K596 PolarHBondContact O-N 3.38Å
593	D	96	Very high	94.1	Very high	57 Å²	57	63.7 Å²	63.7	31%	0.305	31%	0.312	S	S	.	.	H	α-helix	trans	-67.6	-43.6	176.7	-171.9	46.5	0	0	0	112.1	D589 L595 K596 R597 H614	D589-D593 VanDerWaalsContact O-CB 3.29Å; D589-D593 WeakPolarHBondContact O-CB 3.37Å; D589-D593 PolarHBondContact O-N 2.65Å; D593-L595 VanDerWaalsContact C-N 3.29Å; D593-L595 PolarHBondContact O-N 2.87Å; D593-K596 PolarHBondContact O-N 3.32Å; D593-R597 VanDerWaalsContact O-CG 3.32Å; D593-R597 WeakPolarHBondContact O-CG 3.34Å; D593-R597 PolarHBondContact O-N 3.01Å; D593-R597 IonicContact OD1-NE 3.22Å; D593-R597 PolarHBondContact OD1-NE 3.21Å; D593-R597 IonicContact OD1-NH2 2.83Å; D593-R597 IonicContact OD2-CZ 3.34Å; D593-R597 IonicContact OD2-NE 3.58Å; D593-R597 PolarHBondContact OD2-NE 3.11Å; D593-R597 IonicContact OD2-NH2 2.77Å; D593-R597 PolarHBondContact OD2-NH2 2.86Å; D593-H614 IonicContact OD2-CE1 2.66Å; D593-H614 IonicContact OD2-NE2 2.75Å; D593-H614 PolarHBondContact OD2-NE2 3.29Å
594	F	97.1	Very high	94.2	Very high	0 Å²	0	67.2 Å²	67.2	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-53.5	-46.3	174.4	179	-94.1	0	0	0	111.9	T465 L469 V552 Y590 T591 I598 L611 H614 F616 V617	T465-F594 HydrophobicContact CG2-CE1 3.87Å; T465-F594 HydrophobicContact CG2-CE2 4.41Å; T465-F594 HydrophobicContact CG2-CZ 3.55Å; L469-F594 HydrophobicContact CD1-CE2 4.06Å; L469-F594 HydrophobicContact CD1-CZ 4.03Å; V552-F594 HydrophobicContact CG2-CE1 4.19Å; Y590-F594 VanDerWaalsContact O-CB 3.31Å; Y590-F594 WeakPolarHBondContact O-CB 3.2Å; Y590-F594 PolarHBondContact O-N 2.94Å; T591-F594 PolarHBondContact O-N 2.85Å; F594-I598 HydrophobicContact CD1-CD1 3.93Å; F594-I598 HydrophobicContact CE1-CD1 3.53Å; F594-I598 HydrophobicContact CE2-CD1 4.35Å; F594-I598 HydrophobicContact CG-CD1 4.47Å; F594-I598 HydrophobicContact CZ-CD1 3.77Å; F594-I598 WeakPolarHBondContact O-CD1 3.43Å; F594-I598 WeakPolarHBondContact O-CG1 3.36Å; F594-L611 HydrophobicContact CD2-CD2 4.03Å; F594-L611 HydrophobicContact CE2-CB 4.09Å; F594-L611 HydrophobicContact CE2-CD1 4.47Å; F594-L611 HydrophobicContact CE2-CD2 3.74Å; F594-L611 HydrophobicContact CE2-CG 4.32Å; F594-L611 HydrophobicContact CZ-CD1 4.4Å; F594-L611 HydrophobicContact CZ-CD2 4.36Å; F594-H614 HydrophobicContact CD2-CB 3.96Å; F594-H614 AromaticContact CD2-CG 3.81Å; F594-H614 AromaticContact CD2-ND1 3.61Å; F594-H614 HydrophobicContact CE2-CB 4.42Å; F594-H614 PolarHBondContact N-CE1 2.86Å; F594-F616 HydrophobicContact CB-CB 3.88Å; F594-F616 HydrophobicContact CB-CD1 3.97Å; F594-F616 HydrophobicContact CB-CG 4.12Å; F594-F616 AromaticContact CD1-CD1 3.75Å; F594-F616 HydrophobicContact CD1-CD1 3.75Å; F594-F616 HydrophobicContact CD1-CE1 4.11Å; F594-F616 HydrophobicContact CD2-CB 4.11Å; F594-F616 AromaticContact CD2-CD1 3.76Å; F594-F616 HydrophobicContact CD2-CD1 3.76Å; F594-F616 HydrophobicContact CD2-CG 4.39Å; F594-F616 HydrophobicContact CE1-CD1 4.13Å; F594-F616 HydrophobicContact CE1-CE1 4.29Å; F594-F616 HydrophobicContact CE2-CD1 4.11Å; F594-F616 HydrophobicContact CG-CB 4.16Å; F594-F616 AromaticContact CG-CD1 3.55Å; F594-F616 HydrophobicContact CG-CD1 3.55Å; F594-F616 HydrophobicContact CG-CE1 4.37Å; F594-F616 HydrophobicContact CG-CG 4.17Å; F594-F616 HydrophobicContact CZ-CD1 4.3Å; F594-V617 HydrophobicContact CE2-CG1 4.2Å
595	L	96.9	Very high	94.4	Very high	3 Å²	3	66.2 Å²	66.2	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-72.9	-40.5	179.2	-65.2	175.6	0	0	0	112.5	A549 V552 V553 L583 T591 D593 R597 I598 F599	A549-L595 HydrophobicContact CB-CD2 3.71Å; V552-L595 HydrophobicContact CB-CD2 3.97Å; V552-L595 HydrophobicContact CG1-CD1 4.3Å; V552-L595 HydrophobicContact CG1-CD2 3.92Å; V552-L595 HydrophobicContact CG1-CG 4.44Å; V553-L595 HydrophobicContact CG2-CD1 4.29Å; L583-L595 HydrophobicContact CD1-CD1 3.81Å; L583-L595 HydrophobicContact CD2-CD1 3.67Å; L583-L595 HydrophobicContact CG-CD1 4.39Å; T591-L595 HydrophobicContact CG2-CD1 4.36Å; T591-L595 WeakPolarHBondContact O-CG 3.47Å; T591-L595 PolarHBondContact O-N 3.07Å; T591-L595 VanDerWaalsContact O-N 3.08Å; D593-L595 VanDerWaalsContact C-N 3.29Å; D593-L595 PolarHBondContact O-N 2.87Å; L595-R597 VanDerWaalsContact C-N 3.27Å; L595-R597 PolarHBondContact O-N 2.9Å; L595-I598 PolarHBondContact O-N 2.71Å; L595-F599 HydrophobicContact CB-CD2 4.08Å; L595-F599 HydrophobicContact CB-CE2 4.04Å; L595-F599 HydrophobicContact CD2-CE2 4Å; L595-F599 HydrophobicContact CG-CE2 4.47Å; L595-F599 VanDerWaalsContact O-CD2 3.3Å; L595-F599 WeakPolarHBondContact O-CD2 3.25Å; L595-F599 PolarHBondContact O-N 2.89Å
596	K	95.4	Very high	94.7	Very high	128 Å²	128	61.2 Å²	61.2	56%	0.557	29%	0.291	S	S	*	.	H	α-helix	trans	-57.5	-37.2	173.9	-78	168.5	-179.2	177.7	0	112.6	R592 D593 I598 V600	R592-K596 WeakPolarHBondContact O-CB 3.42Å; R592-K596 WeakPolarHBondContact O-CG 3.49Å; R592-K596 PolarHBondContact O-N 3.38Å; D593-K596 PolarHBondContact O-N 3.32Å; K596-I598 PolarHBondContact O-N 3.38Å; K596-V600 WeakPolarHBondContact O-CG1 3.38Å
597	R	95.7	Very high	95.1	Very high	131 Å²	131	55.9 Å²	55.9	49%	0.494	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-19.4	175.4	-69.2	172.3	-167.9	-111.9	6.2	113.3	D593 L595 V600 P606 H614	D593-R597 VanDerWaalsContact O-CG 3.32Å; D593-R597 WeakPolarHBondContact O-CG 3.34Å; D593-R597 PolarHBondContact O-N 3.01Å; D593-R597 IonicContact OD1-NE 3.22Å; D593-R597 PolarHBondContact OD1-NE 3.21Å; D593-R597 IonicContact OD1-NH2 2.83Å; D593-R597 IonicContact OD2-CZ 3.34Å; D593-R597 IonicContact OD2-NE 3.58Å; D593-R597 PolarHBondContact OD2-NE 3.11Å; D593-R597 IonicContact OD2-NH2 2.77Å; D593-R597 PolarHBondContact OD2-NH2 2.86Å; L595-R597 VanDerWaalsContact C-N 3.27Å; L595-R597 PolarHBondContact O-N 2.9Å; R597-V600 WeakPolarHBondContact O-CG2 3.31Å; R597-P606 WeakPolarHBondContact O-CD 3.4Å; R597-H614 WeakPolarHBondContact CD-NE2 3.32Å; R597-H614 PolarHBondContact NE-NE2 2.95Å
598	I	96.4	Very high	95.2	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-39.1	-174.9	-61.8	166.8	0	0	0	112.6	I545 A549 F594 L595 K596 V600 R605 P606 L611	I545-I598 HydrophobicContact CG2-CD1 4.49Å; I545-I598 HydrophobicContact CG2-CG1 4.25Å; I545-I598 HydrophobicContact CG2-CG2 3.99Å; I545-I598 WeakPolarHBondContact O-CG2 3.36Å; A549-I598 HydrophobicContact CB-CB 3.89Å; A549-I598 HydrophobicContact CB-CD1 3.98Å; A549-I598 HydrophobicContact CB-CG2 3.43Å; A549-I598 VanDerWaalsContact CB-CG2 3.43Å; F594-I598 HydrophobicContact CD1-CD1 3.93Å; F594-I598 HydrophobicContact CE1-CD1 3.53Å; F594-I598 HydrophobicContact CE2-CD1 4.35Å; F594-I598 HydrophobicContact CG-CD1 4.47Å; F594-I598 HydrophobicContact CZ-CD1 3.77Å; F594-I598 WeakPolarHBondContact O-CD1 3.43Å; F594-I598 WeakPolarHBondContact O-CG1 3.36Å; L595-I598 PolarHBondContact O-N 2.71Å; K596-I598 PolarHBondContact O-N 3.38Å; I598-V600 PolarHBondContact O-N 3.14Å; I598-R605 HydrophobicContact CG2-CG 4.12Å; I598-R605 WeakPolarHBondContact O-CD 3.2Å; I598-R605 WeakPolarHBondContact O-CG 3.41Å; I598-R605 PolarHBondContact O-NE 3.37Å; I598-R605 VanDerWaalsContact O-NE 3.14Å; I598-P606 HydrophobicContact CG1-CG 4.34Å; I598-L611 HydrophobicContact CD1-CD1 3.59Å; I598-L611 HydrophobicContact CD1-CD2 3.91Å; I598-L611 HydrophobicContact CD1-CG 4.42Å; I598-L611 HydrophobicContact CG1-CD1 3.93Å; I598-L611 HydrophobicContact CG1-CD2 3.99Å
599	F	94.8	Very high	95.3	Very high	13 Å²	13	57.1 Å²	57.1	6%	0.057	28%	0.275	C	S	.	.	S	Bend	trans	-77.1	60.4	177.1	-66.5	-61.5	0	0	0	112	W546 A549 V553 W562 T579 P581 L595	W546-F599 HydrophobicContact CD2-CD1 4.05Å; W546-F599 HydrophobicContact CD2-CE1 4.21Å; W546-F599 AromaticContact CE3-CD1 3.84Å; W546-F599 HydrophobicContact CE3-CD1 3.84Å; W546-F599 HydrophobicContact CE3-CE1 4.45Å; W546-F599 AromaticContact CH2-CD1 3.82Å; W546-F599 HydrophobicContact CH2-CD1 3.82Å; W546-F599 AromaticContact CZ2-CD1 3.96Å; W546-F599 HydrophobicContact CZ2-CD1 3.96Å; W546-F599 HydrophobicContact CZ2-CE1 4.24Å; W546-F599 HydrophobicContact CZ3-CB 4.4Å; W546-F599 AromaticContact CZ3-CD1 3.75Å; W546-F599 HydrophobicContact CZ3-CD1 3.75Å; A549-F599 HydrophobicContact CB-CE1 4.1Å; A549-F599 HydrophobicContact CB-CE2 3.85Å; A549-F599 HydrophobicContact CB-CZ 3.6Å; V553-F599 HydrophobicContact CG2-CE2 4.33Å; V553-F599 HydrophobicContact CG2-CZ 4.31Å; W562-F599 HydrophobicContact CH2-CD1 4.21Å; W562-F599 AromaticContact CH2-CE1 3.88Å; W562-F599 HydrophobicContact CH2-CE1 3.88Å; T579-F599 WeakPolarHBondContact O-CB 3.26Å; P581-F599 HydrophobicContact CG-CD2 4.04Å; P581-F599 HydrophobicContact CG-CE2 3.57Å; P581-F599 HydrophobicContact CG-CZ 4.1Å; L595-F599 HydrophobicContact CB-CD2 4.08Å; L595-F599 HydrophobicContact CB-CE2 4.04Å; L595-F599 HydrophobicContact CD2-CE2 4Å; L595-F599 HydrophobicContact CG-CE2 4.47Å; L595-F599 VanDerWaalsContact O-CD2 3.3Å; L595-F599 WeakPolarHBondContact O-CD2 3.25Å; L595-F599 PolarHBondContact O-N 2.89Å
600	V	92.9	Very high	95.4	Very high	49 Å²	49	55.9 Å²	55.9	30%	0.297	27%	0.265	S	S	.	.	S	Bend	trans	-136.9	172.8	179.2	-64	0	0	0	0	110.2	K596 R597 I598 L604 R605	K596-V600 WeakPolarHBondContact O-CG1 3.38Å; R597-V600 WeakPolarHBondContact O-CG2 3.31Å; I598-V600 PolarHBondContact O-N 3.14Å; V600-L604 HydrophobicContact CG2-CB 4.05Å; V600-R605 HydrophobicContact CG2-CB 3.96Å; V600-R605 PolarHBondContact O-NE 3.15Å; V600-R605 PolarHBondContact O-NH2 3.35Å
601	E	89.9	Confident	95.5	Very high	111 Å²	111	50.4 Å²	50.4	52%	0.519	24%	0.244	S	C	.	.			trans	-49.4	141.1	171.4	-65.8	-171.1	-100	0	0	112.5	K603 L604 R605	E601-K603 HydrophobicContact CB-CG 4.19Å; E601-K603 VanDerWaalsContact CD-CE 3.46Å; E601-K603 PolarHBondContact O-N 3.2Å; E601-K603 WeakPolarHBondContact OE1-CE 3.28Å; E601-K603 IonicContact OE1-NZ 3.95Å; E601-K603 PolarHBondContact OE1-NZ 2.91Å; E601-K603 VanDerWaalsContact OE2-CE 3.24Å; E601-K603 WeakPolarHBondContact OE2-CE 3.37Å; E601-K603 IonicContact OE2-NZ 3.79Å; E601-K603 PolarHBondContact OE2-NZ 2.78Å; E601-L604 PolarHBondContact O-N 3Å; E601-R605 PolarHBondContact O-N 2.71Å
602	A	91.8	Very high	95.6	Very high	26 Å²	26	51.6 Å²	51.6	22%	0.215	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	-30.5	-177	0	0	0	0	0	114.3	E532 K542	E532-A602 HydrophobicContact CB-CB 4.43Å; E532-A602 HydrophobicContact CG-CB 3.94Å; K542-A602 HydrophobicContact CB-CB 4.21Å; K542-A602 WeakPolarHBondContact CD-O 3.49Å; K542-A602 VanDerWaalsContact CG-O 3.31Å; K542-A602 WeakPolarHBondContact CG-O 3.31Å
603	K	91.4	Very high	95.6	Very high	144 Å²	144	55 Å²	55	63%	0.626	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.6	-31.4	177.4	77.2	-163.8	-174	-151.5	0	113.5	E601	E601-K603 HydrophobicContact CB-CG 4.19Å; E601-K603 VanDerWaalsContact CD-CE 3.46Å; E601-K603 PolarHBondContact O-N 3.2Å; E601-K603 WeakPolarHBondContact OE1-CE 3.28Å; E601-K603 IonicContact OE1-NZ 3.95Å; E601-K603 PolarHBondContact OE1-NZ 2.91Å; E601-K603 VanDerWaalsContact OE2-CE 3.24Å; E601-K603 WeakPolarHBondContact OE2-CE 3.37Å; E601-K603 IonicContact OE2-NZ 3.79Å; E601-K603 PolarHBondContact OE2-NZ 2.78Å
604	L	94.3	Very high	95.6	Very high	115 Å²	115	53 Å²	53	60%	0.602	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-27.3	-177.4	-59.2	-179.4	0	0	0	112.6	V600 E601	V600-L604 HydrophobicContact CG2-CB 4.05Å; E601-L604 PolarHBondContact O-N 3Å
605	R	95.6	Very high	95.5	Very high	1 Å²	1	56.9 Å²	56.9	0%	0.004	27%	0.271	C	S	.	.	S	Bend	trans	-54.5	131.7	179.6	-166	178.7	-54	142.5	10	110.5	E532 K542 I545 I598 V600 E601	E532-R605 IonicContact OE1-CZ 3.52Å; E532-R605 IonicContact OE1-NH1 2.65Å; E532-R605 PolarHBondContact OE1-NH1 3.49Å; E532-R605 IonicContact OE1-NH2 2.75Å; E532-R605 IonicContact OE2-CZ 3.6Å; E532-R605 IonicContact OE2-NH1 2.74Å; E532-R605 PolarHBondContact OE2-NH1 2.87Å; E532-R605 IonicContact OE2-NH2 2.82Å; E532-R605 PolarHBondContact OE2-NH2 3.04Å; K542-R605 VanDerWaalsContact C-NH1 3.33Å; K542-R605 HydrophobicContact CD-CB 4.41Å; K542-R605 WeakPolarHBondContact CD-O 3.46Å; K542-R605 WeakPolarHBondContact CE-O 3.34Å; K542-R605 PolarHBondContact NZ-O 2.71Å; K542-R605 VanDerWaalsContact O-CD 3.25Å; K542-R605 WeakPolarHBondContact O-CD 3.11Å; K542-R605 PolarHBondContact O-NH1 2.8Å; I545-R605 HydrophobicContact CG2-CG 4.11Å; I598-R605 HydrophobicContact CG2-CG 4.12Å; I598-R605 WeakPolarHBondContact O-CD 3.2Å; I598-R605 WeakPolarHBondContact O-CG 3.41Å; I598-R605 PolarHBondContact O-NE 3.37Å; I598-R605 VanDerWaalsContact O-NE 3.14Å; V600-R605 HydrophobicContact CG2-CB 3.96Å; V600-R605 PolarHBondContact O-NE 3.15Å; V600-R605 PolarHBondContact O-NH2 3.35Å; E601-R605 PolarHBondContact O-N 2.71Å
606	P	97.6	Very high	95.4	Very high	19 Å²	19	56.8 Å²	56.8	12%	0.123	27%	0.27	C	S	.	.	P	Polyproline II helix	trans	-68.2	170.2	-178.6	27.1	-35.1	0	0	0	112.9	R597 I598 E610 L611	R597-P606 WeakPolarHBondContact O-CD 3.4Å; I598-P606 HydrophobicContact CG1-CG 4.34Å; P606-E610 HydrophobicContact CB-CB 4.02Å; P606-L611 HydrophobicContact CB-CD2 4.23Å; P606-L611 HydrophobicContact CB-CG 4.09Å; P606-L611 HydrophobicContact CG-CD1 4.13Å; P606-L611 HydrophobicContact CG-CD2 3.48Å; P606-L611 VanDerWaalsContact CG-CD2 3.48Å; P606-L611 HydrophobicContact CG-CG 3.68Å
607	S	98	Very high	95.3	Very high	36 Å²	36	51 Å²	51	25%	0.252	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-86	167.6	167.3	67.3	0	0	0	0	112.2	D609 E610 L611	S607-D609 PolarHBondContact O-N 3.44Å; S607-E610 WeakPolarHBondContact CB-OE2 3.21Å; S607-E610 PolarHBondContact N-OE2 2.88Å; S607-E610 PolarHBondContact O-N 2.74Å; S607-E610 WeakPolarHBondContact OG-CG 3.26Å; S607-E610 PolarHBondContact OG-N 2.85Å; S607-E610 PolarHBondContact OG-OE2 2.95Å; S607-L611 WeakPolarHBondContact O-CG 3.47Å; S607-L611 PolarHBondContact O-N 3.42Å
608	A	97.8	Very high	94.5	Very high	2 Å²	2	49.2 Å²	49.2	2%	0.017	24%	0.242	C	C	.	.	H	α-helix	trans	-60.4	-34.7	174.7	0	0	0	0	0	112.7	L469 V472 H473 I545 L611 L612	L469-A608 HydrophobicContact CD2-CB 4.21Å; V472-A608 HydrophobicContact CB-CB 4.24Å; V472-A608 HydrophobicContact CG1-CB 4.03Å; H473-A608 HydrophobicContact CB-CB 3.93Å; I545-A608 HydrophobicContact CD1-CB 3.77Å; A608-L611 PolarHBondContact O-N 3.47Å; A608-L612 WeakPolarHBondContact O-CB 3.24Å; A608-L612 VanDerWaalsContact O-CG 3.28Å; A608-L612 WeakPolarHBondContact O-CG 3.44Å; A608-L612 PolarHBondContact O-N 2.69Å
609	D	97.2	Very high	92.9	Very high	64 Å²	64	55.3 Å²	55.3	34%	0.342	27%	0.266	S	S	.	.	H	α-helix	trans	-65.2	-44.4	177.1	175.4	55.7	0	0	0	112.3	S607 L612 R613	S607-D609 PolarHBondContact O-N 3.44Å; D609-L612 PolarHBondContact O-N 2.68Å; D609-R613 PolarHBondContact O-NH1 3.07Å; D609-R613 IonicContact OD1-CZ 3.63Å; D609-R613 IonicContact OD1-NH1 3.94Å; D609-R613 PolarHBondContact OD1-NH1 3.31Å; D609-R613 IonicContact OD1-NH2 2.92Å; D609-R613 IonicContact OD2-CZ 3.42Å; D609-R613 VanDerWaalsContact OD2-CZ 3.26Å; D609-R613 IonicContact OD2-NH1 3.9Å; D609-R613 PolarHBondContact OD2-NH1 3.3Å; D609-R613 IonicContact OD2-NH2 2.85Å; D609-R613 PolarHBondContact OD2-NH2 2.77Å
610	E	97.6	Very high	91	Very high	97 Å²	97	64.9 Å²	64.9	45%	0.453	31%	0.311	S	S	.	.	H	α-helix	trans	-67	-37.1	175.5	-68	159.6	115.5	0	0	111.9	P606 S607 R613	P606-E610 HydrophobicContact CB-CB 4.02Å; S607-E610 WeakPolarHBondContact CB-OE2 3.21Å; S607-E610 PolarHBondContact N-OE2 2.88Å; S607-E610 PolarHBondContact O-N 2.74Å; S607-E610 WeakPolarHBondContact OG-CG 3.26Å; S607-E610 PolarHBondContact OG-N 2.85Å; S607-E610 PolarHBondContact OG-OE2 2.95Å; E610-R613 PolarHBondContact O-N 3.36Å
611	L	97.9	Very high	90.9	Very high	3 Å²	3	65.7 Å²	65.7	2%	0.016	31%	0.311	C	S	.	.	H	α-helix	trans	-70.4	-30.2	175.3	-72.2	177	0	0	0	113.4	L469 I545 F594 I598 P606 S607 A608 R613 H614 V617	L469-L611 HydrophobicContact CD1-CB 3.77Å; L469-L611 HydrophobicContact CD2-CB 3.94Å; L469-L611 HydrophobicContact CD2-CD1 3.91Å; I545-L611 HydrophobicContact CG2-CD1 3.44Å; I545-L611 VanDerWaalsContact CG2-CD1 3.44Å; F594-L611 HydrophobicContact CD2-CD2 4.03Å; F594-L611 HydrophobicContact CE2-CB 4.09Å; F594-L611 HydrophobicContact CE2-CD1 4.47Å; F594-L611 HydrophobicContact CE2-CD2 3.74Å; F594-L611 HydrophobicContact CE2-CG 4.32Å; F594-L611 HydrophobicContact CZ-CD1 4.4Å; F594-L611 HydrophobicContact CZ-CD2 4.36Å; I598-L611 HydrophobicContact CD1-CD1 3.59Å; I598-L611 HydrophobicContact CD1-CD2 3.91Å; I598-L611 HydrophobicContact CD1-CG 4.42Å; I598-L611 HydrophobicContact CG1-CD1 3.93Å; I598-L611 HydrophobicContact CG1-CD2 3.99Å; P606-L611 HydrophobicContact CB-CD2 4.23Å; P606-L611 HydrophobicContact CB-CG 4.09Å; P606-L611 HydrophobicContact CG-CD1 4.13Å; P606-L611 HydrophobicContact CG-CD2 3.48Å; P606-L611 VanDerWaalsContact CG-CD2 3.48Å; P606-L611 HydrophobicContact CG-CG 3.68Å; S607-L611 WeakPolarHBondContact O-CG 3.47Å; S607-L611 PolarHBondContact O-N 3.42Å; A608-L611 PolarHBondContact O-N 3.47Å; L611-R613 PolarHBondContact O-N 3.49Å; L611-H614 WeakPolarHBondContact O-CB 3.46Å; L611-H614 PolarHBondContact O-N 2.95Å; L611-V617 WeakPolarHBondContact O-CG2 3.33Å
612	L	97.3	Very high	90.9	Very high	24 Å²	24	63.3 Å²	63.3	13%	0.126	30%	0.301	C	S	.	.	H	α-helix	trans	-63.9	-21.5	173.8	-80.4	168	0	0	0	113	R466 L469 E470 H473 A608 D609 H618	R466-L612 HydrophobicContact CG-CD2 4.19Å; L469-L612 HydrophobicContact CB-CD2 3.64Å; L469-L612 HydrophobicContact CB-CG 3.84Å; L469-L612 HydrophobicContact CD1-CD2 4.43Å; E470-L612 HydrophobicContact CG-CD2 3.87Å; H473-L612 HydrophobicContact CB-CD1 4.12Å; A608-L612 WeakPolarHBondContact O-CB 3.24Å; A608-L612 VanDerWaalsContact O-CG 3.28Å; A608-L612 WeakPolarHBondContact O-CG 3.44Å; A608-L612 PolarHBondContact O-N 2.69Å; D609-L612 PolarHBondContact O-N 2.68Å; L612-H618 PolarHBondContact O-CD2 3.25Å; L612-H618 PolarHBondContact O-NE2 3.39Å
613	R	95.9	Very high	90.8	Very high	131 Å²	131	65.3 Å²	65.3	49%	0.494	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-2	172.5	-67.8	-177.1	-76.1	-82.7	6.7	113.8	D609 E610 L611	D609-R613 PolarHBondContact O-NH1 3.07Å; D609-R613 IonicContact OD1-CZ 3.63Å; D609-R613 IonicContact OD1-NH1 3.94Å; D609-R613 PolarHBondContact OD1-NH1 3.31Å; D609-R613 IonicContact OD1-NH2 2.92Å; D609-R613 IonicContact OD2-CZ 3.42Å; D609-R613 VanDerWaalsContact OD2-CZ 3.26Å; D609-R613 IonicContact OD2-NH1 3.9Å; D609-R613 PolarHBondContact OD2-NH1 3.3Å; D609-R613 IonicContact OD2-NH2 2.85Å; D609-R613 PolarHBondContact OD2-NH2 2.77Å; E610-R613 PolarHBondContact O-N 3.36Å; L611-R613 PolarHBondContact O-N 3.49Å
614	H	96.5	Very high	90.8	Very high	16 Å²	16	60.7 Å²	60.7	7%	0.074	29%	0.286	C	S	.	.	S	Bend	trans	-73.3	140.6	-176.8	-162.3	-97.1	0	0	0	112.1	Y590 D593 F594 R597 L611 F616 V617	Y590-H614 PolarHBondContact O-CE1 2.92Å; D593-H614 IonicContact OD2-CE1 2.66Å; D593-H614 IonicContact OD2-NE2 2.75Å; D593-H614 PolarHBondContact OD2-NE2 3.29Å; F594-H614 HydrophobicContact CD2-CB 3.96Å; F594-H614 AromaticContact CD2-CG 3.81Å; F594-H614 AromaticContact CD2-ND1 3.61Å; F594-H614 HydrophobicContact CE2-CB 4.42Å; F594-H614 PolarHBondContact N-CE1 2.86Å; R597-H614 WeakPolarHBondContact CD-NE2 3.32Å; R597-H614 PolarHBondContact NE-NE2 2.95Å; L611-H614 WeakPolarHBondContact O-CB 3.46Å; L611-H614 PolarHBondContact O-N 2.95Å; H614-F616 WeakPolarHBondContact ND1-CB 3.42Å; H614-F616 PolarHBondContact ND1-N 3.14Å; H614-F616 PolarHBondContact O-N 3.21Å; H614-F616 VanDerWaalsContact O-N 3.12Å; H614-V617 HydrophobicContact CB-CG2 4.48Å; H614-V617 WeakPolarHBondContact O-CG2 3.39Å; H614-V617 PolarHBondContact O-N 3.23Å
615	M	94.6	Very high	90.6	Very high	81 Å²	81	57.3 Å²	57.3	40%	0.399	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-55.4	-36.3	-177.2	-57.4	-74.4	76.1	0	0	112.7	Y590 V617 H618 Y619	Y590-M615 HydrophobicContact CD1-CB 3.84Å; Y590-M615 HydrophobicContact CE1-CB 4.17Å; M615-V617 VanDerWaalsContact C-N 3.28Å; M615-V617 PolarHBondContact O-N 3.07Å; M615-H618 PolarHBondContact O-N 3.44Å; M615-H618 VanDerWaalsContact O-N 3.15Å; M615-Y619 HydrophobicContact CB-CD2 4.17Å; M615-Y619 HydrophobicContact CB-CE2 4.36Å; M615-Y619 HydrophobicContact CE-CE2 4.44Å; M615-Y619 PolarHBondContact O-N 3.48Å; M615-Y619 VanDerWaalsContact O-N 3.1Å; M615-Y619 HydrophobicContact SD-CD2 4.43Å; M615-Y619 HydrophobicContact SD-CE2 3.76Å
616	F	95.1	Very high	90.3	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.009	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-49.5	-44.6	173.5	176.3	-125.6	0	0	0	112.9	E458 T461 R462 T465 V552 T591 F594 H614	E458-F616 HydrophobicContact CG-CE2 3.97Å; T461-F616 HydrophobicContact CG2-CZ 4.31Å; R462-F616 HydrophobicContact CB-CE2 3.98Å; R462-F616 HydrophobicContact CB-CZ 4.08Å; R462-F616 WeakPolarHBondContact CD-O 3.45Å; R462-F616 HydrophobicContact CG-CD2 4.5Å; R462-F616 HydrophobicContact CG-CE2 4.25Å; R462-F616 WeakPolarHBondContact CG-O 3.43Å; R462-F616 PolarHBondContact NE-O 2.92Å; T465-F616 HydrophobicContact CG2-CD1 4.49Å; T465-F616 HydrophobicContact CG2-CE1 3.98Å; V552-F616 HydrophobicContact CG1-CE1 4.4Å; T591-F616 HydrophobicContact CG2-CD2 4.36Å; T591-F616 HydrophobicContact CG2-CE2 3.91Å; T591-F616 HydrophobicContact CG2-CZ 4.06Å; T591-F616 VanDerWaalsContact OG1-CD2 3.22Å; T591-F616 WeakPolarHBondContact OG1-CD2 3.23Å; T591-F616 WeakPolarHBondContact OG1-CE2 3.33Å; F594-F616 HydrophobicContact CB-CB 3.88Å; F594-F616 HydrophobicContact CB-CD1 3.97Å; F594-F616 HydrophobicContact CB-CG 4.12Å; F594-F616 AromaticContact CD1-CD1 3.75Å; F594-F616 HydrophobicContact CD1-CD1 3.75Å; F594-F616 HydrophobicContact CD1-CE1 4.11Å; F594-F616 HydrophobicContact CD2-CB 4.11Å; F594-F616 AromaticContact CD2-CD1 3.76Å; F594-F616 HydrophobicContact CD2-CD1 3.76Å; F594-F616 HydrophobicContact CD2-CG 4.39Å; F594-F616 HydrophobicContact CE1-CD1 4.13Å; F594-F616 HydrophobicContact CE1-CE1 4.29Å; F594-F616 HydrophobicContact CE2-CD1 4.11Å; F594-F616 HydrophobicContact CG-CB 4.16Å; F594-F616 AromaticContact CG-CD1 3.55Å; F594-F616 HydrophobicContact CG-CD1 3.55Å; F594-F616 HydrophobicContact CG-CE1 4.37Å; F594-F616 HydrophobicContact CG-CG 4.17Å; F594-F616 HydrophobicContact CZ-CD1 4.3Å; H614-F616 WeakPolarHBondContact ND1-CB 3.42Å; H614-F616 PolarHBondContact ND1-N 3.14Å; H614-F616 PolarHBondContact O-N 3.21Å; H614-F616 VanDerWaalsContact O-N 3.12Å
617	V	92.5	Very high	89.7	Confident	5 Å²	5	64.1 Å²	64.1	3%	0.03	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-97.9	15.7	-175.1	-60.4	0	0	0	0	114	T465 R466 L469 F594 L611 H614 M615	T465-V617 HydrophobicContact CG2-CG1 3.92Å; R466-V617 HydrophobicContact CB-CB 4.08Å; R466-V617 HydrophobicContact CB-CG1 4.45Å; R466-V617 HydrophobicContact CG-CB 4.32Å; R466-V617 PolarHBondContact NH1-O 2.74Å; R466-V617 VanDerWaalsContact NH1-O 3.07Å; L469-V617 HydrophobicContact CD1-CG1 4.19Å; L469-V617 HydrophobicContact CD1-CG2 4.47Å; F594-V617 HydrophobicContact CE2-CG1 4.2Å; L611-V617 WeakPolarHBondContact O-CG2 3.33Å; H614-V617 HydrophobicContact CB-CG2 4.48Å; H614-V617 WeakPolarHBondContact O-CG2 3.39Å; H614-V617 PolarHBondContact O-N 3.23Å; M615-V617 VanDerWaalsContact C-N 3.28Å; M615-V617 PolarHBondContact O-N 3.07Å
618	H	80.5	Confident	89.1	Confident	94 Å²	94	66.2 Å²	66.2	44%	0.435	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.4	-33.7	179.9	-92	-65	0	0	0	114.3	L612 M615	L612-H618 PolarHBondContact O-CD2 3.25Å; L612-H618 PolarHBondContact O-NE2 3.39Å; M615-H618 PolarHBondContact O-N 3.44Å; M615-H618 VanDerWaalsContact O-N 3.15Å
619	Y	62.8	Low	88.4	Confident	128 Å²	128	71.6 Å²	71.6	50%	0.502	32%	0.323	S	S	.	.			trans	-79.4	136.2	178.9	-86.4	-94.9	0	0	0	111.9	R462 M615	R462-Y619 WeakPolarHBondContact CD-O 3.29Å; R462-Y619 PolarHBondContact NH1-O 3.31Å; M615-Y619 HydrophobicContact CB-CD2 4.17Å; M615-Y619 HydrophobicContact CB-CE2 4.36Å; M615-Y619 HydrophobicContact CE-CE2 4.44Å; M615-Y619 PolarHBondContact O-N 3.48Å; M615-Y619 VanDerWaalsContact O-N 3.1Å; M615-Y619 HydrophobicContact SD-CD2 4.43Å; M615-Y619 HydrophobicContact SD-CE2 3.76Å
620	H	52.9	Low	87.6	Confident	214 Å²	214	72.3 Å²	72.3	99%	0.991	32%	0.321	S	S	*	.			trans	-94.2	0	167.6	-78.7	-59.2	0	0	0	109.3	R462	R462-H620 PolarHBondContact NH1-OXT 3.41Å

Retrieved 620 of 620 residues in 334.2 ms (Link to these results)

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