A0A077ZJM6_TRITR Loading...

Helitron like N domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZJM6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 695 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	28.5	Very low	34	Very low	256 Å²	256	156.9 Å²	156.9	100%	1.261	85%	0.847	S	S	*	*				0	53.4	0	-71.1	-158.3	-78.7	0	0	111.3
2	G	30.7	Very low	33.8	Very low	79 Å²	79	152.5 Å²	152.5	81%	0.814	84%	0.835	S	S	*	*			trans	-145.5	37.8	-172.7	0	0	0	0	0	113.2
3	S	28.6	Very low	33.9	Very low	109 Å²	109	146.8 Å²	146.8	76%	0.762	82%	0.821	S	S	*	*			trans	-142.1	26.6	-175.1	67	0	0	0	0	114.6
4	L	34.6	Very low	33.9	Very low	163 Å²	163	147.4 Å²	147.4	85%	0.853	82%	0.822	S	S	*	*	S	Bend	trans	-124.4	30.2	179.5	-86.6	168	0	0	0	113.8
5	Q	35.7	Very low	33.8	Very low	188 Å²	188	149.7 Å²	149.7	88%	0.879	82%	0.823	S	S	*	*	S	Bend	trans	-122.6	9.7	-178.7	-120.9	175.8	-10.1	0	0	116.2
6	T	37.6	Very low	33.7	Very low	137 Å²	137	154.6 Å²	154.6	84%	0.84	83%	0.826	S	S	*	*	S	Bend	trans	-114.8	3.1	179.4	49.2	0	0	0	0	115.6
7	S	37.3	Very low	33.4	Very low	99 Å²	99	160.1 Å²	160.1	69%	0.692	83%	0.832	S	S	*	*	S	Bend	trans	-104.6	14.5	178.7	75.9	0	0	0	0	115
8	R	34.4	Very low	33.3	Very low	221 Å²	221	154.9 Å²	154.9	83%	0.834	82%	0.824	S	S	*	*	S	Bend	trans	-111.8	-3.7	-178.1	-111.5	-176.9	175.3	-178.8	-1.5	115.8
9	E	35.6	Very low	33.2	Very low	178 Å²	178	154.5 Å²	154.5	83%	0.832	82%	0.822	S	S	*	*	S	Bend	trans	-98	-13.8	-179.5	-71.3	-172.3	158.9	0	0	114.6
10	E	35.8	Very low	33.2	Very low	181 Å²	181	157.1 Å²	157.1	85%	0.846	83%	0.829	S	S	*	*	S	Bend	trans	-90	-13.2	-179.2	-74.7	-171.2	155.4	0	0	115.6
11	T	35.1	Very low	33.4	Very low	115 Å²	115	155.1 Å²	155.1	71%	0.706	82%	0.824	S	S	*	*	S	Bend	trans	-88	-8.6	178.1	37.9	0	0	0	0	114.8
12	C	31.4	Very low	33.7	Very low	104 Å²	104	146.7 Å²	146.7	70%	0.703	80%	0.803	S	S	*	*	S	Bend	trans	-90.8	-7.6	-178	-149.5	0	0	0	0	114.1
13	A	35.9	Very low	34.1	Very low	78 Å²	78	151.7 Å²	151.7	65%	0.645	81%	0.805	S	S	*	*	S	Bend	trans	-92	-19.3	-174.8	0	0	0	0	0	114.9
14	N	33.5	Very low	34.7	Very low	156 Å²	156	157.2 Å²	157.2	83%	0.834	81%	0.809	S	S	*	*	S	Bend	trans	-101.4	-1.6	-170.4	-101.1	-1.6	0	0	0	116.9
15	E	32.3	Very low	35.1	Very low	182 Å²	182	158.6 Å²	158.6	85%	0.85	81%	0.808	S	S	*	*	S	Bend	trans	-96.5	5.6	177.2	-74.4	-172.5	161.2	0	0	114.7	R17	E15-R17 PolarHBondContact O-N 3.44Å
16	R	31.6	Very low	35.9	Very low	227 Å²	227	153.5 Å²	153.5	86%	0.857	78%	0.784	S	S	*	*	S	Bend	trans	-90.9	20.9	178	-72.7	-167.6	-173.1	-178	4.1	115.6
17	R	29.7	Very low	37.3	Very low	248 Å²	248	150.2 Å²	150.2	94%	0.936	76%	0.764	S	S	*	*	S	Bend	trans	-134.3	86.3	171.8	-83	-173.1	178.3	179.7	0.7	111.5	E15	E15-R17 PolarHBondContact O-N 3.44Å
18	G	30.5	Very low	38.8	Very low	67 Å²	67	154.4 Å²	154.4	69%	0.691	77%	0.77	S	S	*	*			trans	155.7	72.8	163	0	0	0	0	0	113.1
19	D	31.9	Very low	40.3	Very low	148 Å²	148	150.1 Å²	150.1	79%	0.791	76%	0.763	S	S	*	*			trans	-164.9	67.4	153.4	-107.5	-17	0	0	0	110.6	T21	D19-T21 VanDerWaalsContact C-N 3.28Å; D19-T21 PolarHBondContact O-N 3.38Å
20	E	33.6	Very low	41.3	Very low	206 Å²	206	145.9 Å²	145.9	96%	0.963	74%	0.743	S	S	*	*			trans	-83.6	75	162.9	-72	-170.1	163.7	0	0	108.9	G22	E20-G22 PolarHBondContact O-N 3.22Å
21	T	38	Very low	42.5	Very low	116 Å²	116	144.1 Å²	144.1	71%	0.712	73%	0.729	S	S	*	*			trans	-81.1	109	168.6	42.6	0	0	0	0	109.4	D19 Q23	D19-T21 VanDerWaalsContact C-N 3.28Å; D19-T21 PolarHBondContact O-N 3.38Å; T21-Q23 PolarHBondContact O-N 3.41Å; T21-Q23 VanDerWaalsContact O-N 3.08Å
22	G	33.2	Very low	43.8	Very low	79 Å²	79	141.5 Å²	141.5	81%	0.814	72%	0.719	S	S	*	*			trans	-58.8	106.4	-170.8	0	0	0	0	0	114.7	E20 R24	E20-G22 PolarHBondContact O-N 3.22Å; G22-R24 PolarHBondContact O-N 3Å
23	Q	39.8	Very low	45.3	Very low	184 Å²	184	139.2 Å²	139.2	86%	0.86	71%	0.707	S	S	*	*			trans	-68.6	110.3	163.2	-71.7	-178.8	-4.9	0	0	109.6	T21 K25	T21-Q23 PolarHBondContact O-N 3.41Å; T21-Q23 VanDerWaalsContact O-N 3.08Å; Q23-K25 PolarHBondContact O-N 3.22Å
24	R	41.3	Very low	46.3	Very low	225 Å²	225	143 Å²	143	85%	0.849	71%	0.705	S	S	*	*			trans	-58.9	107.4	174.6	-174.7	179.8	178.4	-165.8	-1.6	109.6	G22 E26	G22-R24 PolarHBondContact O-N 3Å; R24-E26 PolarHBondContact O-N 3.24Å
25	K	44	Very low	47.6	Very low	192 Å²	192	144.3 Å²	144.3	84%	0.835	70%	0.698	S	S	*	*	P	Polyproline II helix	trans	-64.3	118.4	175.3	-77.9	178	178	171.1	0	109.8	Q23 T27	Q23-K25 PolarHBondContact O-N 3.22Å; K25-T27 PolarHBondContact O-N 3.08Å
26	E	51.7	Low	48.8	Very low	81 Å²	81	143.8 Å²	143.8	38%	0.379	69%	0.689	S	S	.	*	P	Polyproline II helix	trans	-48.7	129.8	169.8	-171.6	-173.1	-155.1	0	0	110.3	R24 E30 R31	R24-E26 PolarHBondContact O-N 3.24Å; E26-E30 HydrophobicContact CG-CB 3.71Å; E26-R31 HydrophobicContact CG-CG 4.06Å; E26-R31 WeakPolarHBondContact OE2-CG 3.2Å; E26-R31 IonicContact OE2-NE 3.12Å; E26-R31 PolarHBondContact OE2-NE 3.33Å; E26-R31 VanDerWaalsContact OE2-NE 3.12Å
27	T	66.8	Low	49.4	Very low	68 Å²	68	139.4 Å²	139.4	42%	0.417	68%	0.68	S	S	.	*	P	Polyproline II helix	trans	-73.9	155	-176	62.1	0	0	0	0	111.1	K25 N29 E30 R31	K25-T27 PolarHBondContact O-N 3.08Å; T27-N29 PolarHBondContact O-N 3.15Å; T27-N29 VanDerWaalsContact O-N 3.13Å; T27-E30 PolarHBondContact N-OE2 3.48Å; T27-E30 PolarHBondContact O-N 3.12Å; T27-E30 VanDerWaalsContact O-N 3.11Å; T27-E30 VanDerWaalsContact OG1-CD 3.28Å; T27-E30 WeakPolarHBondContact OG1-CG 3.35Å; T27-E30 PolarHBondContact OG1-OE2 2.96Å; T27-R31 PolarHBondContact O-N 3.11Å
28	K	67.9	Low	50.2	Low	186 Å²	186	132 Å²	132	81%	0.809	66%	0.658	S	S	*	*	H	α-helix	trans	-57.3	-31.1	-179.7	-152.3	177.9	-176.5	-178.7	0	112.4	A32	K28-A32 PolarHBondContact O-N 3.13Å; K28-A32 VanDerWaalsContact O-N 3.15Å
29	N	66.6	Low	51.2	Low	132 Å²	132	137.9 Å²	137.9	71%	0.706	66%	0.66	S	S	*	*	H	α-helix	trans	-71.2	-41.3	177.7	-72	-8.9	0	0	0	112.5	T27 R31 A32 A33	T27-N29 PolarHBondContact O-N 3.15Å; T27-N29 VanDerWaalsContact O-N 3.13Å; N29-R31 VanDerWaalsContact C-N 3.35Å; N29-R31 PolarHBondContact O-N 2.96Å; N29-A32 PolarHBondContact O-N 2.79Å; N29-A33 PolarHBondContact O-N 3.23Å
30	E	57.7	Low	51.9	Low	88 Å²	88	135.8 Å²	135.8	41%	0.411	65%	0.645	S	S	.	*	H	α-helix	trans	-61.4	-43.9	175.8	-73	164.7	153.8	0	0	111	E26 T27 A32 A33 R34	E26-E30 HydrophobicContact CG-CB 3.71Å; T27-E30 PolarHBondContact N-OE2 3.48Å; T27-E30 PolarHBondContact O-N 3.12Å; T27-E30 VanDerWaalsContact O-N 3.11Å; T27-E30 VanDerWaalsContact OG1-CD 3.28Å; T27-E30 WeakPolarHBondContact OG1-CG 3.35Å; T27-E30 PolarHBondContact OG1-OE2 2.96Å; E30-A32 VanDerWaalsContact C-N 3.33Å; E30-A32 PolarHBondContact O-N 3.4Å; E30-A33 PolarHBondContact O-N 3.17Å; E30-R34 PolarHBondContact O-N 3.08Å
31	R	60.1	Low	52.3	Low	145 Å²	145	131.3 Å²	131.3	55%	0.547	62%	0.624	S	S	.	*	H	α-helix	trans	-61.7	-39	175	-73	-179	176.9	178.3	0.9	113.1	E26 T27 N29 R35	E26-R31 HydrophobicContact CG-CG 4.06Å; E26-R31 WeakPolarHBondContact OE2-CG 3.2Å; E26-R31 IonicContact OE2-NE 3.12Å; E26-R31 PolarHBondContact OE2-NE 3.33Å; E26-R31 VanDerWaalsContact OE2-NE 3.12Å; T27-R31 PolarHBondContact O-N 3.11Å; N29-R31 VanDerWaalsContact C-N 3.35Å; N29-R31 PolarHBondContact O-N 2.96Å; R31-R35 WeakPolarHBondContact O-CG 3.41Å; R31-R35 PolarHBondContact O-N 3.23Å
32	A	63.6	Low	52.6	Low	59 Å²	59	129.7 Å²	129.7	49%	0.488	61%	0.614	S	S	.	*	H	α-helix	trans	-68.3	-43.2	178.2	0	0	0	0	0	111.7	K28 N29 E30 R34 R35 R36	K28-A32 PolarHBondContact O-N 3.13Å; K28-A32 VanDerWaalsContact O-N 3.15Å; N29-A32 PolarHBondContact O-N 2.79Å; E30-A32 VanDerWaalsContact C-N 3.33Å; E30-A32 PolarHBondContact O-N 3.4Å; A32-R34 PolarHBondContact O-N 3.38Å; A32-R35 PolarHBondContact O-N 3.37Å; A32-R36 PolarHBondContact O-N 3.17Å; A32-R36 VanDerWaalsContact O-N 3.08Å
33	A	61.6	Low	53	Low	56 Å²	56	135.1 Å²	135.1	46%	0.463	61%	0.609	S	S	.	*	H	α-helix	trans	-61.3	-43.9	176.6	0	0	0	0	0	111.7	N29 E30 R35 R36 M37	N29-A33 PolarHBondContact O-N 3.23Å; E30-A33 PolarHBondContact O-N 3.17Å; A33-R35 PolarHBondContact O-N 2.76Å; A33-R36 PolarHBondContact O-N 3.36Å; A33-M37 WeakPolarHBondContact O-CG 3.38Å; A33-M37 PolarHBondContact O-N 3.13Å; A33-M37 VanDerWaalsContact O-N 3.07Å
34	R	56.5	Low	53	Low	157 Å²	157	129 Å²	129	59%	0.592	59%	0.587	S	S	*	*	H	α-helix	trans	-61	-45.9	177.2	-166.8	177.1	178.1	-148.2	-4.3	112.4	E30 A32 R36 M37 D38	E30-R34 PolarHBondContact O-N 3.08Å; A32-R34 PolarHBondContact O-N 3.38Å; R34-R36 VanDerWaalsContact C-N 3.29Å; R34-R36 PolarHBondContact O-N 3.07Å; R34-M37 PolarHBondContact O-N 3.47Å; R34-D38 PolarHBondContact O-N 3.02Å
35	R	60.6	Low	52.8	Low	185 Å²	185	121.3 Å²	121.3	70%	0.698	57%	0.565	S	S	*	*	H	α-helix	trans	-64.1	-32	177.4	-74.8	179.5	175.7	-170.4	-1.3	113.3	R31 A32 A33 R39	R31-R35 WeakPolarHBondContact O-CG 3.41Å; R31-R35 PolarHBondContact O-N 3.23Å; A32-R35 PolarHBondContact O-N 3.37Å; A33-R35 PolarHBondContact O-N 2.76Å; R35-R39 WeakPolarHBondContact O-CG 3.47Å; R35-R39 PolarHBondContact O-N 3.06Å
36	R	57.5	Low	52.5	Low	171 Å²	171	121.4 Å²	121.4	65%	0.645	56%	0.56	S	S	*	*	H	α-helix	trans	-69.6	-47.3	176.4	-175.1	179.3	174	171.8	1.5	111.2	A32 A33 R34 D38 R39 E40	A32-R36 PolarHBondContact O-N 3.17Å; A32-R36 VanDerWaalsContact O-N 3.08Å; A33-R36 PolarHBondContact O-N 3.36Å; R34-R36 VanDerWaalsContact C-N 3.29Å; R34-R36 PolarHBondContact O-N 3.07Å; R36-D38 VanDerWaalsContact C-N 3.35Å; R36-D38 PolarHBondContact O-N 3.36Å; R36-R39 PolarHBondContact O-N 3.35Å; R36-E40 IonicContact CZ-OE1 3.98Å; R36-E40 IonicContact NE-OE1 3.17Å; R36-E40 PolarHBondContact NE-OE1 3.25Å; R36-E40 VanDerWaalsContact NE-OE1 3.17Å; R36-E40 IonicContact NH2-OE1 3.89Å; R36-E40 PolarHBondContact O-N 3.01Å
37	M	46	Very low	51.6	Low	135 Å²	135	124.7 Å²	124.7	67%	0.665	58%	0.576	S	S	*	*	H	α-helix	trans	-57.7	-45.2	176.2	-74	-91.6	-74.8	0	0	111.9	A33 R34 R39 E40 H41	A33-M37 WeakPolarHBondContact O-CG 3.38Å; A33-M37 PolarHBondContact O-N 3.13Å; A33-M37 VanDerWaalsContact O-N 3.07Å; R34-M37 PolarHBondContact O-N 3.47Å; M37-R39 VanDerWaalsContact C-N 3.33Å; M37-R39 PolarHBondContact O-N 3.5Å; M37-E40 PolarHBondContact O-N 2.87Å; M37-H41 WeakPolarHBondContact O-CB 3.46Å; M37-H41 PolarHBondContact O-N 3.49Å
38	D	46.1	Very low	50	Low	91 Å²	91	125.5 Å²	125.5	49%	0.487	58%	0.578	S	S	.	*	H	α-helix	trans	-62.2	-39	178	-74.8	-19.2	0	0	0	112.1	R34 R36 H41 V42	R34-D38 PolarHBondContact O-N 3.02Å; R36-D38 VanDerWaalsContact C-N 3.35Å; R36-D38 PolarHBondContact O-N 3.36Å; D38-H41 PolarHBondContact O-N 3.08Å; D38-V42 VanDerWaalsContact O-CG2 3.32Å; D38-V42 WeakPolarHBondContact O-CG2 3.39Å; D38-V42 PolarHBondContact O-N 3.38Å
39	R	50.7	Low	48.2	Very low	192 Å²	192	121 Å²	121	73%	0.725	57%	0.565	S	S	*	*	H	α-helix	trans	-68.2	-40.8	177.8	-77.5	177.9	177.2	-174.9	-0.8	112.9	R35 R36 M37 H41 R43	R35-R39 WeakPolarHBondContact O-CG 3.47Å; R35-R39 PolarHBondContact O-N 3.06Å; R36-R39 PolarHBondContact O-N 3.35Å; M37-R39 VanDerWaalsContact C-N 3.33Å; M37-R39 PolarHBondContact O-N 3.5Å; R39-H41 VanDerWaalsContact C-N 3.34Å; R39-R43 PolarHBondContact O-N 3.38Å; R39-R43 VanDerWaalsContact O-N 3.09Å
40	E	47.8	Very low	46.4	Very low	104 Å²	104	119 Å²	119	49%	0.486	57%	0.567	S	S	.	*	H	α-helix	trans	-65.7	-39.6	176.8	-73.8	174.5	-169.8	0	0	110.9	R36 M37 R43 S44	R36-E40 IonicContact CZ-OE1 3.98Å; R36-E40 IonicContact NE-OE1 3.17Å; R36-E40 PolarHBondContact NE-OE1 3.25Å; R36-E40 VanDerWaalsContact NE-OE1 3.17Å; R36-E40 IonicContact NH2-OE1 3.89Å; R36-E40 PolarHBondContact O-N 3.01Å; M37-E40 PolarHBondContact O-N 2.87Å; E40-R43 PolarHBondContact O-N 2.88Å; E40-S44 PolarHBondContact O-N 2.7Å; E40-S44 VanDerWaalsContact O-N 3.08Å
41	H	41.4	Very low	44.9	Very low	112 Å²	112	122.7 Å²	122.7	52%	0.519	58%	0.582	S	S	.	*	H	α-helix	trans	-62.5	-48.4	175.2	-169.6	70.5	0	0	0	112.3	M37 D38 R39 R43 S44 V45	M37-H41 WeakPolarHBondContact O-CB 3.46Å; M37-H41 PolarHBondContact O-N 3.49Å; D38-H41 PolarHBondContact O-N 3.08Å; R39-H41 VanDerWaalsContact C-N 3.34Å; H41-R43 VanDerWaalsContact C-N 3.33Å; H41-R43 PolarHBondContact O-N 2.83Å; H41-S44 WeakPolarHBondContact O-CB 2.98Å; H41-S44 PolarHBondContact O-N 3.06Å; H41-V45 WeakPolarHBondContact O-CG2 3.35Å; H41-V45 PolarHBondContact O-N 3.23Å; H41-V45 VanDerWaalsContact O-N 3.09Å
42	V	44	Very low	43.3	Very low	81 Å²	81	122.3 Å²	122.3	49%	0.491	59%	0.588	S	S	.	*	H	α-helix	trans	-63.6	-36.2	178.7	173	0	0	0	0	112.3	D38 V45 R46	D38-V42 VanDerWaalsContact O-CG2 3.32Å; D38-V42 WeakPolarHBondContact O-CG2 3.39Å; D38-V42 PolarHBondContact O-N 3.38Å; V42-V45 PolarHBondContact O-N 3.18Å; V42-R46 PolarHBondContact O-N 3.32Å; V42-R46 VanDerWaalsContact O-N 3.12Å
43	R	41.2	Very low	41.4	Very low	193 Å²	193	123 Å²	123	73%	0.728	60%	0.6	S	S	*	*	H	α-helix	trans	-64.4	-44.3	175	-93.4	-176.3	172.4	173.3	-2.6	112.4	R39 E40 H41 V45 R46 Q47	R39-R43 PolarHBondContact O-N 3.38Å; R39-R43 VanDerWaalsContact O-N 3.09Å; E40-R43 PolarHBondContact O-N 2.88Å; H41-R43 VanDerWaalsContact C-N 3.33Å; H41-R43 PolarHBondContact O-N 2.83Å; R43-V45 VanDerWaalsContact C-N 3.32Å; R43-V45 PolarHBondContact O-N 3.31Å; R43-R46 PolarHBondContact O-N 2.82Å; R43-Q47 PolarHBondContact O-N 3.41Å
44	S	39.5	Very low	39.5	Very low	57 Å²	57	130.6 Å²	130.6	40%	0.399	62%	0.617	S	S	.	*	H	α-helix	trans	-57.6	-45.8	175.1	170.6	0	0	0	0	111.3	E40 H41 R46 Q47 N48	E40-S44 PolarHBondContact O-N 2.7Å; E40-S44 VanDerWaalsContact O-N 3.08Å; H41-S44 WeakPolarHBondContact O-CB 2.98Å; H41-S44 PolarHBondContact O-N 3.06Å; S44-R46 PolarHBondContact O-N 2.84Å; S44-Q47 PolarHBondContact O-N 3.05Å; S44-N48 WeakPolarHBondContact O-CB 3.37Å; S44-N48 PolarHBondContact O-N 2.94Å; S44-N48 PolarHBondContact O-ND2 3.33Å; S44-N48 PolarHBondContact OG-ND2 2.86Å
45	V	37.7	Very low	38	Very low	63 Å²	63	128.9 Å²	128.9	38%	0.382	63%	0.629	S	S	.	*	H	α-helix	trans	-59	-45.5	177	174.9	0	0	0	0	111.4	H41 V42 R43 N48 V49	H41-V45 WeakPolarHBondContact O-CG2 3.35Å; H41-V45 PolarHBondContact O-N 3.23Å; H41-V45 VanDerWaalsContact O-N 3.09Å; V42-V45 PolarHBondContact O-N 3.18Å; R43-V45 VanDerWaalsContact C-N 3.32Å; R43-V45 PolarHBondContact O-N 3.31Å; V45-N48 PolarHBondContact O-N 3.2Å; V45-V49 VanDerWaalsContact O-CG2 3.3Å; V45-V49 WeakPolarHBondContact O-CG2 3.48Å; V45-V49 PolarHBondContact O-N 3.05Å; V45-V49 VanDerWaalsContact O-N 3.13Å
46	R	36.8	Very low	36.2	Very low	193 Å²	193	128.9 Å²	128.9	73%	0.728	64%	0.637	S	S	*	*	H	α-helix	trans	-66.4	-40.6	179.7	-77.5	-174.6	175.1	-179.5	-1.2	113.9	V42 R43 S44 N48 V49 A50	V42-R46 PolarHBondContact O-N 3.32Å; V42-R46 VanDerWaalsContact O-N 3.12Å; R43-R46 PolarHBondContact O-N 2.82Å; S44-R46 PolarHBondContact O-N 2.84Å; R46-N48 VanDerWaalsContact C-N 3.32Å; R46-V49 PolarHBondContact O-N 3.05Å; R46-A50 PolarHBondContact O-N 3.35Å
47	Q	34	Very low	34.6	Very low	151 Å²	151	126 Å²	126	71%	0.706	64%	0.643	S	S	*	*	H	α-helix	trans	-65.6	-38	177.2	-78.9	-179	-28.2	0	0	111.8	R43 S44 A50	R43-Q47 PolarHBondContact O-N 3.41Å; S44-Q47 PolarHBondContact O-N 3.05Å; Q47-A50 PolarHBondContact O-N 3.4Å
48	N	32.9	Very low	33.6	Very low	85 Å²	85	125.8 Å²	125.8	46%	0.455	64%	0.642	S	S	.	*	H	α-helix	trans	-67.7	-35.8	177.8	-68.7	-31.3	0	0	0	112.2	S44 V45 R46 A50 F51 M52	S44-N48 WeakPolarHBondContact O-CB 3.37Å; S44-N48 PolarHBondContact O-N 2.94Å; S44-N48 PolarHBondContact O-ND2 3.33Å; S44-N48 PolarHBondContact OG-ND2 2.86Å; V45-N48 PolarHBondContact O-N 3.2Å; R46-N48 VanDerWaalsContact C-N 3.32Å; N48-A50 VanDerWaalsContact C-N 3.3Å; N48-A50 PolarHBondContact O-N 3.26Å; N48-F51 PolarHBondContact O-N 3.48Å; N48-M52 WeakPolarHBondContact O-CG 3.49Å
49	V	29.8	Very low	32.4	Very low	91 Å²	91	129.8 Å²	129.8	55%	0.552	66%	0.658	S	S	*	*	H	α-helix	trans	-62.3	-36	175.1	172.9	0	0	0	0	112	V45 R46 F51 M52	V45-V49 VanDerWaalsContact O-CG2 3.3Å; V45-V49 WeakPolarHBondContact O-CG2 3.48Å; V45-V49 PolarHBondContact O-N 3.05Å; V45-V49 VanDerWaalsContact O-N 3.13Å; R46-V49 PolarHBondContact O-N 3.05Å; V49-F51 VanDerWaalsContact C-N 3.29Å; V49-F51 PolarHBondContact O-N 3.45Å; V49-M52 HydrophobicContact CB-SD 4.47Å; V49-M52 HydrophobicContact CG2-SD 4.4Å; V49-M52 WeakPolarHBondContact O-CB 3.31Å; V49-M52 PolarHBondContact O-N 3.21Å
50	A	28.3	Very low	31.1	Very low	89 Å²	89	125.8 Å²	125.8	74%	0.736	65%	0.647	S	S	*	*	H	α-helix	trans	-69.9	-23.5	178.2	0	0	0	0	0	113.5	R46 Q47 N48 M52	R46-A50 PolarHBondContact O-N 3.35Å; Q47-A50 PolarHBondContact O-N 3.4Å; N48-A50 VanDerWaalsContact C-N 3.3Å; N48-A50 PolarHBondContact O-N 3.26Å; A50-M52 VanDerWaalsContact C-N 3.35Å
51	F	27.9	Very low	29.9	Very low	166 Å²	166	126.9 Å²	126.9	73%	0.728	66%	0.656	S	S	*	*	H	α-helix	trans	-82.1	-12.3	179	-156.2	-94.1	0	0	0	113.1	N48 V49 G53	N48-F51 PolarHBondContact O-N 3.48Å; V49-F51 VanDerWaalsContact C-N 3.29Å; V49-F51 PolarHBondContact O-N 3.45Å; F51-G53 PolarHBondContact O-N 3Å
52	M	25.9	Very low	29.2	Very low	138 Å²	138	129.6 Å²	129.6	68%	0.68	66%	0.663	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.1	-1.4	-175.1	-65.7	177.4	64.4	0	0	115.5	N48 V49 A50	N48-M52 WeakPolarHBondContact O-CG 3.49Å; V49-M52 HydrophobicContact CB-SD 4.47Å; V49-M52 HydrophobicContact CG2-SD 4.4Å; V49-M52 WeakPolarHBondContact O-CB 3.31Å; V49-M52 PolarHBondContact O-N 3.21Å; A50-M52 VanDerWaalsContact C-N 3.35Å
53	G	23.2	Very low	28.4	Very low	72 Å²	72	133.1 Å²	133.1	74%	0.742	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.4	3.4	-169.9	0	0	0	0	0	117.7	F51	F51-G53 PolarHBondContact O-N 3Å
54	R	22.8	Very low	27.7	Very low	216 Å²	216	127 Å²	127	82%	0.815	68%	0.675	S	S	*	*			trans	-108.2	112.8	-178.5	-65.1	-171.5	-149.3	-150.1	3.9	112
55	S	23.1	Very low	27.2	Very low	121 Å²	121	130.7 Å²	130.7	85%	0.846	69%	0.69	S	S	*	*			trans	-79.2	111.3	168.5	57	0	0	0	0	109.6
56	E	24.6	Very low	26.9	Very low	186 Å²	186	134.4 Å²	134.4	87%	0.869	71%	0.706	S	S	*	*			trans	-88	118.8	166.9	-75.3	179.5	167.2	0	0	108.8	M58	E56-M58 PolarHBondContact O-N 3.41Å
57	S	23.2	Very low	26.8	Very low	109 Å²	109	128.7 Å²	128.7	76%	0.762	69%	0.69	S	S	*	*			trans	-75.5	113.6	176.3	55.6	0	0	0	0	109.8
58	M	23.9	Very low	27.6	Very low	132 Å²	132	125.2 Å²	125.2	65%	0.65	68%	0.676	S	S	*	*			trans	-98.5	122.7	177.8	-161.3	174.4	-177	0	0	109.3	E56	E56-M58 PolarHBondContact O-N 3.41Å
59	Q	21.3	Very low	27.7	Very low	175 Å²	175	126.1 Å²	126.1	82%	0.818	68%	0.676	S	S	*	*			trans	-73.5	125.8	-176.4	-75.1	179.6	-26.8	0	0	111.7	N61	Q59-N61 PolarHBondContact O-N 2.84Å
60	E	24.5	Very low	28.5	Very low	108 Å²	108	127.1 Å²	127.1	51%	0.505	68%	0.675	S	S	.	*			trans	-75.3	99.8	174.8	-68.8	175.8	175.3	0	0	110.1
61	N	22.7	Very low	29.1	Very low	126 Å²	126	124.6 Å²	124.6	67%	0.674	65%	0.651	S	S	*	*			trans	-100.4	145.1	156.6	-69.1	-36.8	0	0	0	106.7	Q59	Q59-N61 PolarHBondContact O-N 2.84Å
62	Y	26.7	Very low	29.5	Very low	169 Å²	169	120.6 Å²	120.6	66%	0.663	66%	0.656	S	S	*	*			trans	105	35.1	175.2	-58.9	-79	0	0	0	119.1
63	L	25.6	Very low	30.2	Very low	155 Å²	155	123.1 Å²	123.1	81%	0.812	66%	0.664	S	S	*	*	S	Bend	trans	-103.8	99.4	141.5	-75.8	167.8	0	0	0	108.3
64	G	26.7	Very low	31.4	Very low	64 Å²	64	122.4 Å²	122.4	66%	0.66	65%	0.647	S	S	*	*	S	Bend	trans	131.9	-1	153.9	0	0	0	0	0	120.9	I66	G64-I66 PolarHBondContact O-N 2.89Å
65	L	28.7	Very low	32.3	Very low	136 Å²	136	117.9 Å²	117.9	71%	0.712	64%	0.635	S	S	*	*			trans	-97.7	93.2	-177.6	-70.2	170.4	0	0	0	113.3
66	I	32.7	Very low	32.9	Very low	141 Å²	141	115.7 Å²	115.7	72%	0.723	62%	0.616	S	S	*	*			trans	-46.9	139.7	150.5	-57.4	167	0	0	0	108	G64 N68	G64-I66 PolarHBondContact O-N 2.89Å; I66-N68 PolarHBondContact O-N 3.17Å; I66-N68 VanDerWaalsContact O-N 3.08Å
67	L	35.3	Very low	33.5	Very low	72 Å²	72	110.3 Å²	110.3	38%	0.377	59%	0.593	S	S	.	*			trans	-45.3	116.7	171	-58.3	158.1	0	0	0	109.1	L77 F79	L67-L77 HydrophobicContact CB-CB 3.22Å; L67-L77 HydrophobicContact CB-CD1 4.12Å; L67-L77 HydrophobicContact CB-CG 4.25Å; L67-L77 HydrophobicContact CD1-CB 3.77Å; L67-L77 HydrophobicContact CD1-CD1 4.46Å; L67-L77 HydrophobicContact CG-CB 4.07Å; L67-F79 HydrophobicContact CD2-CD2 4.02Å; L67-F79 HydrophobicContact CD2-CE1 4.38Å; L67-F79 HydrophobicContact CD2-CE2 3.55Å; L67-F79 HydrophobicContact CD2-CZ 3.75Å
68	N	50.6	Low	34.3	Very low	78 Å²	78	110.1 Å²	110.1	42%	0.417	58%	0.579	S	S	.	*			trans	-102.3	-5.9	-159.4	69.7	-38	0	0	0	115.1	I66	I66-N68 PolarHBondContact O-N 3.17Å; I66-N68 VanDerWaalsContact O-N 3.08Å
69	K	34.9	Very low	35.1	Very low	104 Å²	104	108.4 Å²	108.4	45%	0.452	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-136.2	137	171.8	-101	-177	178.3	162.2	0	113.3	L77 F78 E80	K69-L77 CarbonylContact O-C 3.49Å; K69-L77 WeakPolarHBondContact O-CA 3.34Å; K69-F78 PolarHBondContact N-O 3.42Å; K69-F78 WeakPolarHBondContact O-CD1 3.23Å; K69-F78 PolarHBondContact O-N 3.17Å; K69-E80 IonicContact NZ-OE1 3.8Å; K69-E80 PolarHBondContact NZ-OE1 2.98Å
70	E	45.8	Very low	35.8	Very low	113 Å²	113	105 Å²	105	53%	0.528	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.3	129.5	-177.2	-174.3	171.2	179.1	0	0	110.3	G72 H75 L77	E70-G72 PolarHBondContact O-N 3.36Å; E70-H75 HydrophobicContact CG-CB 3.99Å; E70-H75 VanDerWaalsContact OE1-CB 3.27Å; E70-H75 WeakPolarHBondContact OE1-CB 3.24Å; E70-H75 IonicContact OE1-CE1 3.52Å; E70-H75 IonicContact OE1-CG 3.86Å; E70-H75 VanDerWaalsContact OE1-CG 3.28Å; E70-H75 IonicContact OE1-ND1 2.67Å; E70-H75 PolarHBondContact OE1-ND1 3.27Å; E70-L77 HydrophobicContact CB-CD2 3.86Å; E70-L77 HydrophobicContact CG-CD2 4.43Å
71	C	41	Very low	36.3	Very low	36 Å²	36	107.2 Å²	107.2	24%	0.243	57%	0.567	C	S	.	*			trans	-63.8	121.5	174.9	178.7	0	0	0	0	110.2	F73 C74 H75 T76 F78	C71-F73 PolarHBondContact O-N 2.97Å; C71-C74 PolarHBondContact O-N 2.99Å; C71-H75 VanDerWaalsContact O-CA 3.24Å; C71-H75 WeakPolarHBondContact O-CA 3.34Å; C71-H75 PolarHBondContact O-N 3.21Å; C71-T76 WeakPolarHBondContact CB-O 3.11Å; C71-T76 PolarHBondContact N-O 3.48Å; C71-F78 HydrophobicContact CB-CD1 4.45Å; C71-F78 HydrophobicContact CB-CE1 4.15Å
72	G	36.9	Very low	36.8	Very low	81 Å²	81	108.7 Å²	108.7	84%	0.835	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64	-8.4	-179.3	0	0	0	0	0	115.5	E70	E70-G72 PolarHBondContact O-N 3.36Å
73	F	39.8	Very low	36.9	Very low	192 Å²	192	106.7 Å²	106.7	84%	0.842	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-104.4	-40.1	176.7	-175.6	-100.2	0	0	0	113.3	C71	C71-F73 PolarHBondContact O-N 2.97Å
74	C	49.8	Very low	37	Very low	56 Å²	56	102.6 Å²	102.6	38%	0.378	57%	0.568	S	S	.	*	T	Hydrogen-bonded Turn	trans	-124.9	7.1	-174.3	70.3	0	0	0	0	114.8	C71 T76	C71-C74 PolarHBondContact O-N 2.99Å; C74-T76 PolarHBondContact O-N 3.43Å; C74-T76 PolarHBondContact O-OG1 3.06Å; C74-T76 PolarHBondContact SG-OG1 2.98Å; C74-T76 VanDerWaalsContact SG-OG1 3.35Å
75	H	39.8	Very low	37.3	Very low	122 Å²	122	108.6 Å²	108.6	57%	0.565	58%	0.576	S	S	*	*			trans	56.6	14.8	177.9	-59.8	-77.2	0	0	0	115.3	E70 C71	E70-H75 HydrophobicContact CG-CB 3.99Å; E70-H75 VanDerWaalsContact OE1-CB 3.27Å; E70-H75 WeakPolarHBondContact OE1-CB 3.24Å; E70-H75 IonicContact OE1-CE1 3.52Å; E70-H75 IonicContact OE1-CG 3.86Å; E70-H75 VanDerWaalsContact OE1-CG 3.28Å; E70-H75 IonicContact OE1-ND1 2.67Å; E70-H75 PolarHBondContact OE1-ND1 3.27Å; C71-H75 VanDerWaalsContact O-CA 3.24Å; C71-H75 WeakPolarHBondContact O-CA 3.34Å; C71-H75 PolarHBondContact O-N 3.21Å
76	T	36.5	Very low	37.2	Very low	74 Å²	74	109.3 Å²	109.3	45%	0.454	58%	0.58	S	S	.	*			trans	-77.7	131.3	176.9	-61.8	0	0	0	0	109.6	C71 C74	C71-T76 WeakPolarHBondContact CB-O 3.11Å; C71-T76 PolarHBondContact N-O 3.48Å; C74-T76 PolarHBondContact O-N 3.43Å; C74-T76 PolarHBondContact O-OG1 3.06Å; C74-T76 PolarHBondContact SG-OG1 2.98Å; C74-T76 VanDerWaalsContact SG-OG1 3.35Å
77	L	38.2	Very low	36.9	Very low	74 Å²	74	105.8 Å²	105.8	39%	0.387	58%	0.579	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.9	134.6	-178	-58	164.2	0	0	0	111.4	L67 K69 E70	L67-L77 HydrophobicContact CB-CB 3.22Å; L67-L77 HydrophobicContact CB-CD1 4.12Å; L67-L77 HydrophobicContact CB-CG 4.25Å; L67-L77 HydrophobicContact CD1-CB 3.77Å; L67-L77 HydrophobicContact CD1-CD1 4.46Å; L67-L77 HydrophobicContact CG-CB 4.07Å; K69-L77 CarbonylContact O-C 3.49Å; K69-L77 WeakPolarHBondContact O-CA 3.34Å; E70-L77 HydrophobicContact CB-CD2 3.86Å; E70-L77 HydrophobicContact CG-CD2 4.43Å
78	F	39	Very low	36.2	Very low	104 Å²	104	109.8 Å²	109.8	46%	0.456	60%	0.599	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-139.7	171.5	178.1	65.3	-85.2	0	0	0	112.6	K69 C71	K69-F78 PolarHBondContact N-O 3.42Å; K69-F78 WeakPolarHBondContact O-CD1 3.23Å; K69-F78 PolarHBondContact O-N 3.17Å; C71-F78 HydrophobicContact CB-CD1 4.45Å; C71-F78 HydrophobicContact CB-CE1 4.15Å
79	F	41.6	Very low	34.8	Very low	96 Å²	96	110 Å²	110	42%	0.421	61%	0.612	S	S	.	*			trans	-91.9	135.1	-176.9	-65.6	-78.2	0	0	0	112.6	L67 N81	L67-F79 HydrophobicContact CD2-CD2 4.02Å; L67-F79 HydrophobicContact CD2-CE1 4.38Å; L67-F79 HydrophobicContact CD2-CE2 3.55Å; L67-F79 HydrophobicContact CD2-CZ 3.75Å; F79-N81 VanDerWaalsContact C-N 3.3Å; F79-N81 PolarHBondContact O-N 2.97Å
80	E	35.2	Very low	34.2	Very low	105 Å²	105	111.8 Å²	111.8	49%	0.491	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-64	-23.5	-174.3	-168	157.6	-143.1	0	0	115.1	K69	K69-E80 IonicContact NZ-OE1 3.8Å; K69-E80 PolarHBondContact NZ-OE1 2.98Å
81	N	34.1	Very low	32.9	Very low	153 Å²	153	115.2 Å²	115.2	82%	0.818	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	23.9	-170.1	-69.5	-14.9	0	0	0	115.7	F79 V83	F79-N81 VanDerWaalsContact C-N 3.3Å; F79-N81 PolarHBondContact O-N 2.97Å; N81-V83 PolarHBondContact O-N 3.1Å
82	K	34.8	Very low	32.1	Very low	157 Å²	157	122.1 Å²	122.1	68%	0.683	67%	0.67	S	S	*	*			trans	-89.1	21.7	177.6	-89.3	-152.8	175.5	-170	0	116
83	V	28.3	Very low	31.4	Very low	127 Å²	127	122 Å²	122	77%	0.77	66%	0.662	S	S	*	*			trans	-124.5	61.8	168.3	-160.7	0	0	0	0	110.8	N81 K85	N81-V83 PolarHBondContact O-N 3.1Å; V83-K85 PolarHBondContact O-N 2.8Å
84	G	28.2	Very low	30.6	Very low	69 Å²	69	117 Å²	117	71%	0.711	66%	0.655	S	S	*	*			trans	-75.9	111.1	162.5	0	0	0	0	0	108.9	D86	G84-D86 VanDerWaalsContact C-N 3.25Å; G84-D86 PolarHBondContact O-N 2.79Å
85	K	31.3	Very low	29.5	Very low	191 Å²	191	118.3 Å²	118.3	83%	0.83	66%	0.662	S	S	*	*	S	Bend	trans	-71.2	-7.8	-175.5	-92.2	-175.9	174	-179.7	0	115.6	V83	V83-K85 PolarHBondContact O-N 2.8Å
86	D	27.9	Very low	29	Very low	150 Å²	150	118.3 Å²	118.3	80%	0.802	67%	0.67	S	S	*	*			trans	-125.9	60.9	-175.5	-59	-47.3	0	0	0	111.8	G84 I88	G84-D86 VanDerWaalsContact C-N 3.25Å; G84-D86 PolarHBondContact O-N 2.79Å; D86-I88 PolarHBondContact O-N 3.49Å
87	G	25.2	Very low	28.5	Very low	68 Å²	68	118.2 Å²	118.2	70%	0.701	68%	0.677	S	S	*	*			trans	-84.4	86.9	165.1	0	0	0	0	0	109.5	A89	G87-A89 PolarHBondContact O-N 3.21Å
88	I	21.2	Very low	28	Very low	156 Å²	156	116.8 Å²	116.8	80%	0.8	68%	0.676	S	S	*	*			trans	-62.7	81	164.6	-61.7	169.6	0	0	0	106.9	D86 L90	D86-I88 PolarHBondContact O-N 3.49Å; I88-L90 PolarHBondContact O-N 3.28Å
89	A	22.2	Very low	27.5	Very low	82 Å²	82	117.9 Å²	117.9	68%	0.678	68%	0.677	S	S	*	*			trans	-67.5	111.9	165.9	0	0	0	0	0	105.7	G87 M91	G87-A89 PolarHBondContact O-N 3.21Å; A89-M91 VanDerWaalsContact C-N 3.31Å; A89-M91 PolarHBondContact O-N 3.42Å
90	L	21.2	Very low	27	Very low	141 Å²	141	118.2 Å²	118.2	74%	0.738	68%	0.683	S	S	*	*			trans	-50.2	101.1	167.2	-98.1	94.7	0	0	0	108.2	I88 F92	I88-L90 PolarHBondContact O-N 3.28Å; L90-F92 VanDerWaalsContact C-N 3.28Å; L90-F92 HydrophobicContact CD2-CE2 3.92Å; L90-F92 PolarHBondContact O-N 3.18Å
91	M	19.4	Very low	26.8	Very low	186 Å²	186	118.2 Å²	118.2	92%	0.916	68%	0.679	S	S	*	*			trans	-66.9	88.2	169.2	-75.7	-147.3	-73.8	0	0	108.2	A89 A93	A89-M91 VanDerWaalsContact C-N 3.31Å; A89-M91 PolarHBondContact O-N 3.42Å; M91-A93 PolarHBondContact O-N 2.85Å
92	F	23.1	Very low	26.6	Very low	180 Å²	180	115.1 Å²	115.1	79%	0.789	66%	0.662	S	S	*	*			trans	-75.2	100.9	153.2	-88.1	-81.4	0	0	0	106.6	L90 A94	L90-F92 VanDerWaalsContact C-N 3.28Å; L90-F92 HydrophobicContact CD2-CE2 3.92Å; L90-F92 PolarHBondContact O-N 3.18Å; F92-A94 PolarHBondContact O-N 3.21Å
93	A	22.2	Very low	26.6	Very low	80 Å²	80	110.5 Å²	110.5	66%	0.661	65%	0.648	S	S	*	*			trans	-44.8	112.6	175.5	0	0	0	0	0	109.9	M91 T95	M91-A93 PolarHBondContact O-N 2.85Å; A93-T95 VanDerWaalsContact C-N 3.28Å; A93-T95 PolarHBondContact O-N 3.3Å
94	A	24	Very low	27.3	Very low	85 Å²	85	107 Å²	107	70%	0.702	62%	0.624	S	S	*	*			trans	-67.1	86.1	179	0	0	0	0	0	109.3	F92	F92-A94 PolarHBondContact O-N 3.21Å
95	T	25.2	Very low	28.1	Very low	85 Å²	85	106 Å²	106	52%	0.521	60%	0.602	S	S	.	*			trans	-88.5	140.7	157.8	54.8	0	0	0	0	107.7	A93 A97 A98 W99	A93-T95 VanDerWaalsContact C-N 3.28Å; A93-T95 PolarHBondContact O-N 3.3Å; T95-A97 PolarHBondContact O-N 2.63Å; T95-A98 WeakPolarHBondContact O-CB 3.45Å; T95-A98 PolarHBondContact O-N 2.66Å; T95-W99 PolarHBondContact O-N 3.4Å
96	T	31	Very low	28.8	Very low	121 Å²	121	97.5 Å²	97.5	74%	0.742	57%	0.568	S	S	*	*	H	α-helix	trans	-51.9	-21.8	177.3	24.7	0	0	0	0	113.4	W99 N100	T96-W99 VanDerWaalsContact O-CB 3.31Å; T96-W99 WeakPolarHBondContact O-CB 3.32Å; T96-W99 PolarHBondContact O-N 3.49Å; T96-N100 PolarHBondContact O-N 3.01Å
97	A	26.4	Very low	29.9	Very low	72 Å²	72	93.6 Å²	93.6	60%	0.595	55%	0.55	S	S	*	.	H	α-helix	trans	-70	-37.8	173.1	0	0	0	0	0	113.8	T95 W99 Y101	T95-A97 PolarHBondContact O-N 2.63Å; A97-W99 VanDerWaalsContact C-N 3.29Å; A97-Y101 PolarHBondContact O-N 3.32Å
98	A	27.4	Very low	31.1	Very low	44 Å²	44	90.4 Å²	90.4	36%	0.364	52%	0.517	S	S	.	.	H	α-helix	trans	-68.9	-32.2	174.5	0	0	0	0	0	111.6	T95 Y101 L102	T95-A98 WeakPolarHBondContact O-CB 3.45Å; T95-A98 PolarHBondContact O-N 2.66Å; A98-Y101 WeakPolarHBondContact O-CB 3.37Å; A98-Y101 PolarHBondContact O-N 3.03Å; A98-L102 PolarHBondContact O-N 2.89Å
99	W	27.1	Very low	32.7	Very low	128 Å²	128	84.5 Å²	84.5	49%	0.485	49%	0.486	S	S	.	.	H	α-helix	trans	-58.2	-54.6	175.6	-105	81	0	0	0	112.7	T95 T96 A97 Y101 L102 T103	T95-W99 PolarHBondContact O-N 3.4Å; T96-W99 VanDerWaalsContact O-CB 3.31Å; T96-W99 WeakPolarHBondContact O-CB 3.32Å; T96-W99 PolarHBondContact O-N 3.49Å; A97-W99 VanDerWaalsContact C-N 3.29Å; W99-Y101 PolarHBondContact O-N 3.23Å; W99-L102 PolarHBondContact O-N 2.76Å; W99-T103 PolarHBondContact O-OG1 3.23Å
100	N	32.5	Very low	34.2	Very low	102 Å²	102	81.3 Å²	81.3	55%	0.545	46%	0.459	S	S	.	.	H	α-helix	trans	-64.7	-21.5	177.3	-71.6	-18.9	0	0	0	112.5	T96 D104 R178	T96-N100 PolarHBondContact O-N 3.01Å; N100-D104 WeakPolarHBondContact O-CB 3.47Å; N100-R178 PolarHBondContact O-NH2 3.42Å
101	Y	30.7	Very low	35.7	Very low	105 Å²	105	75.7 Å²	75.7	41%	0.412	43%	0.431	S	S	.	.	H	α-helix	trans	-75.9	-37.6	178.5	-164.4	-86.3	0	0	0	112.5	A97 A98 W99 L105	A97-Y101 PolarHBondContact O-N 3.32Å; A98-Y101 WeakPolarHBondContact O-CB 3.37Å; A98-Y101 PolarHBondContact O-N 3.03Å; W99-Y101 PolarHBondContact O-N 3.23Å; Y101-L105 VanDerWaalsContact O-CB 3.3Å; Y101-L105 WeakPolarHBondContact O-CB 3.32Å; Y101-L105 PolarHBondContact O-N 3.44Å
102	L	29.3	Very low	37.4	Very low	88 Å²	88	66.8 Å²	66.8	46%	0.461	39%	0.387	S	S	.	.	H	α-helix	trans	-77.1	-38.4	-175.9	-71.7	173.2	0	0	0	113.7	A98 W99 L105 A106	A98-L102 PolarHBondContact O-N 2.89Å; W99-L102 PolarHBondContact O-N 2.76Å; L102-L105 WeakPolarHBondContact O-CB 3.42Å; L102-L105 PolarHBondContact O-N 2.93Å; L102-A106 PolarHBondContact O-N 3.09Å; L102-A106 VanDerWaalsContact O-N 3.16Å
103	T	35	Very low	38.9	Very low	61 Å²	61	58.2 Å²	58.2	37%	0.374	35%	0.35	S	S	.	.	H	α-helix	trans	-66.1	-46.6	173.7	38	0	0	0	0	111.1	W99 L105 A106 T107	W99-T103 PolarHBondContact O-OG1 3.23Å; T103-L105 PolarHBondContact O-N 3.11Å; T103-A106 PolarHBondContact O-N 3.09Å; T103-A106 VanDerWaalsContact O-N 3.07Å; T103-T107 PolarHBondContact O-N 3.08Å; T103-T107 PolarHBondContact O-OG1 2.88Å
104	D	43.8	Very low	40.4	Very low	52 Å²	52	55.3 Å²	55.3	28%	0.278	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-33.5	174.5	-82.7	1.2	0	0	0	112.2	N100 T107 T108 R178	N100-D104 WeakPolarHBondContact O-CB 3.47Å; D104-T107 WeakPolarHBondContact CA-OG1 3.21Å; D104-T107 PolarHBondContact O-OG1 3.1Å; D104-T107 VanDerWaalsContact O-OG1 3.11Å; D104-T108 WeakPolarHBondContact O-CB 3.24Å; D104-T108 PolarHBondContact O-N 2.95Å; D104-T108 PolarHBondContact O-OG1 3.04Å; D104-R178 IonicContact OD2-CZ 2.79Å; D104-R178 IonicContact OD2-NE 3.14Å; D104-R178 PolarHBondContact OD2-NE 3.17Å; D104-R178 IonicContact OD2-NH2 2.63Å; D104-R178 PolarHBondContact OD2-NH2 2.8Å
105	L	43.6	Very low	41.7	Very low	48 Å²	48	51.6 Å²	51.6	25%	0.251	29%	0.293	S	S	.	.	H	α-helix	trans	-63.4	-44.5	173.1	-171.5	66	0	0	0	110.9	Y101 L102 T103 T108 L109 V181	Y101-L105 VanDerWaalsContact O-CB 3.3Å; Y101-L105 WeakPolarHBondContact O-CB 3.32Å; Y101-L105 PolarHBondContact O-N 3.44Å; L102-L105 WeakPolarHBondContact O-CB 3.42Å; L102-L105 PolarHBondContact O-N 2.93Å; T103-L105 PolarHBondContact O-N 3.11Å; L105-T108 CarbonylContact O-C 3.47Å; L105-T108 PolarHBondContact O-N 3.38Å; L105-L109 HydrophobicContact CD1-CG 4.36Å; L105-L109 HydrophobicContact CG-CD1 3.97Å; L105-L109 HydrophobicContact CG-CG 4.18Å; L105-L109 VanDerWaalsContact O-CB 3.3Å; L105-L109 WeakPolarHBondContact O-CB 3.37Å; L105-L109 WeakPolarHBondContact O-CG 3.41Å; L105-L109 PolarHBondContact O-N 3.41Å; L105-V181 HydrophobicContact CD1-CG1 3.47Å; L105-V181 VanDerWaalsContact CD1-CG1 3.47Å
106	A	46.4	Very low	42.8	Very low	13 Å²	13	48.7 Å²	48.7	11%	0.107	27%	0.274	C	S	.	.	H	α-helix	trans	-66.5	-42.9	-177.5	0	0	0	0	0	113.4	L102 T103 L109 T110	L102-A106 PolarHBondContact O-N 3.09Å; L102-A106 VanDerWaalsContact O-N 3.16Å; T103-A106 PolarHBondContact O-N 3.09Å; T103-A106 VanDerWaalsContact O-N 3.07Å; A106-L109 PolarHBondContact O-N 3.4Å; A106-T110 PolarHBondContact O-N 3.43Å; A106-T110 VanDerWaalsContact O-N 3.08Å; A106-T110 PolarHBondContact O-OG1 3.27Å; A106-T110 VanDerWaalsContact O-OG1 3.11Å
107	T	51.7	Low	43.2	Very low	69 Å²	69	43.8 Å²	43.8	42%	0.423	24%	0.243	S	C	.	.	H	α-helix	trans	-63.6	-47	171.7	38.2	0	0	0	0	110.3	T103 D104 L109 T110 S111	T103-T107 PolarHBondContact O-N 3.08Å; T103-T107 PolarHBondContact O-OG1 2.88Å; D104-T107 WeakPolarHBondContact CA-OG1 3.21Å; D104-T107 PolarHBondContact O-OG1 3.1Å; D104-T107 VanDerWaalsContact O-OG1 3.11Å; T107-L109 VanDerWaalsContact C-N 3.29Å; T107-L109 PolarHBondContact O-N 3.07Å; T107-T110 PolarHBondContact O-N 3.17Å; T107-S111 WeakPolarHBondContact O-CB 3.49Å; T107-S111 PolarHBondContact O-N 2.86Å; T107-S111 PolarHBondContact O-OG 3.31Å
108	T	49.4	Very low	43.5	Very low	1 Å²	1	41.8 Å²	41.8	1%	0.006	23%	0.225	C	C	.	.	H	α-helix	trans	-59.1	-38.3	175.7	-58.8	0	0	0	0	111.9	D104 L105 F112 C177 V181 M182	D104-T108 WeakPolarHBondContact O-CB 3.24Å; D104-T108 PolarHBondContact O-N 2.95Å; D104-T108 PolarHBondContact O-OG1 3.04Å; L105-T108 CarbonylContact O-C 3.47Å; L105-T108 PolarHBondContact O-N 3.38Å; T108-F112 WeakPolarHBondContact O-CA 3.5Å; T108-F112 WeakPolarHBondContact O-CB 3.49Å; T108-F112 PolarHBondContact O-N 3.17Å; T108-C177 HydrophobicContact CG2-CB 3.89Å; T108-V181 HydrophobicContact CG2-CB 4.14Å; T108-V181 HydrophobicContact CG2-CG1 3.64Å; T108-M182 HydrophobicContact CG2-CE 4.49Å
109	L	56.4	Low	43.8	Very low	31 Å²	31	40.3 Å²	40.3	16%	0.162	21%	0.214	C	C	.	.	H	α-helix	trans	-67.6	-42.8	178.4	-75	171.4	0	0	0	111.7	L105 A106 T107 F112 N113 L185 I280	L105-L109 HydrophobicContact CD1-CG 4.36Å; L105-L109 HydrophobicContact CG-CD1 3.97Å; L105-L109 HydrophobicContact CG-CG 4.18Å; L105-L109 VanDerWaalsContact O-CB 3.3Å; L105-L109 WeakPolarHBondContact O-CB 3.37Å; L105-L109 WeakPolarHBondContact O-CG 3.41Å; L105-L109 PolarHBondContact O-N 3.41Å; A106-L109 PolarHBondContact O-N 3.4Å; T107-L109 VanDerWaalsContact C-N 3.29Å; T107-L109 PolarHBondContact O-N 3.07Å; L109-F112 PolarHBondContact O-N 2.93Å; L109-N113 WeakPolarHBondContact O-CB 3.47Å; L109-N113 PolarHBondContact O-N 3.36Å; L109-L185 HydrophobicContact CD2-CD1 3.86Å; L109-L185 HydrophobicContact CD2-CD2 4.36Å; L109-I280 HydrophobicContact CB-CD1 3.96Å; L109-I280 HydrophobicContact CD2-CD1 3.51Å; L109-I280 HydrophobicContact CD2-CG1 3.93Å; L109-I280 HydrophobicContact CD2-CG2 3.85Å; L109-I280 HydrophobicContact CG-CD1 4.33Å; L109-I280 WeakPolarHBondContact O-CD1 3.15Å
110	T	52.1	Low	44	Very low	16 Å²	16	36.5 Å²	36.5	10%	0.098	21%	0.206	C	C	.	.	H	α-helix	trans	-64.1	-46.4	176.5	-54.3	0	0	0	0	110.9	A106 T107 N113 T114 P329	A106-T110 PolarHBondContact O-N 3.43Å; A106-T110 VanDerWaalsContact O-N 3.08Å; A106-T110 PolarHBondContact O-OG1 3.27Å; A106-T110 VanDerWaalsContact O-OG1 3.11Å; T107-T110 PolarHBondContact O-N 3.17Å; T110-N113 PolarHBondContact O-N 2.7Å; T110-T114 WeakPolarHBondContact O-CB 3.28Å; T110-T114 PolarHBondContact O-N 3.36Å; T110-T114 PolarHBondContact O-OG1 2.9Å; T110-P329 HydrophobicContact CG2-CB 4.41Å
111	S	53.9	Low	43.9	Very low	22 Å²	22	32.1 Å²	32.1	15%	0.154	18%	0.183	C	C	.	.	H	α-helix	trans	-62.9	-42.5	175.1	-78.4	0	0	0	0	112.2	T107 T114 S115 R173 N174 C177	T107-S111 WeakPolarHBondContact O-CB 3.49Å; T107-S111 PolarHBondContact O-N 2.86Å; T107-S111 PolarHBondContact O-OG 3.31Å; S111-T114 PolarHBondContact O-N 3.31Å; S111-S115 WeakPolarHBondContact O-CB 2.98Å; S111-S115 PolarHBondContact O-N 2.99Å; S111-R173 PolarHBondContact OG-O 3.45Å; S111-N174 WeakPolarHBondContact CB-OD1 3.48Å; S111-N174 PolarHBondContact OG-OD1 3.42Å; S111-C177 WeakPolarHBondContact CB-SG 3.39Å
112	F	54.4	Low	43.8	Very low	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-63.9	-47.2	176.1	-175.1	-84.2	0	0	0	111.1	T108 L109 T114 S115 L116 M182 L185 F189 I280	T108-F112 WeakPolarHBondContact O-CA 3.5Å; T108-F112 WeakPolarHBondContact O-CB 3.49Å; T108-F112 PolarHBondContact O-N 3.17Å; L109-F112 PolarHBondContact O-N 2.93Å; F112-T114 VanDerWaalsContact C-N 3.31Å; F112-T114 PolarHBondContact O-N 3.46Å; F112-S115 WeakPolarHBondContact CA-OG 3.41Å; F112-S115 CarbonylContact O-C 3.56Å; F112-S115 PolarHBondContact O-N 3.46Å; F112-S115 VanDerWaalsContact O-N 3.09Å; F112-S115 PolarHBondContact O-OG 2.93Å; F112-L116 HydrophobicContact CD1-CD1 3.65Å; F112-L116 HydrophobicContact CD1-CG 4.11Å; F112-L116 HydrophobicContact CE1-CD1 3.13Å; F112-L116 HydrophobicContact CE1-CG 3.75Å; F112-L116 HydrophobicContact CZ-CD1 3.98Å; F112-L116 HydrophobicContact CZ-CG 4.3Å; F112-L116 PolarHBondContact O-N 3.26Å; F112-M182 HydrophobicContact CB-SD 4.31Å; F112-M182 HydrophobicContact CD2-CG 4.37Å; F112-M182 HydrophobicContact CD2-SD 3.31Å; F112-M182 WeakPolarHBondContact CD2-SD 3.09Å; F112-M182 HydrophobicContact CE2-SD 3.99Å; F112-M182 HydrophobicContact CG-SD 4.23Å; F112-L185 HydrophobicContact CB-CD1 4.35Å; F112-L185 HydrophobicContact CD1-CD1 4.3Å; F112-L185 HydrophobicContact CD2-CB 3.89Å; F112-L185 HydrophobicContact CD2-CD1 3.76Å; F112-L185 HydrophobicContact CE1-CB 4.1Å; F112-L185 HydrophobicContact CE2-CB 3.35Å; F112-L185 HydrophobicContact CE2-CD1 4.12Å; F112-L185 HydrophobicContact CE2-CG 4.4Å; F112-L185 HydrophobicContact CG-CD1 3.92Å; F112-L185 HydrophobicContact CZ-CB 3.48Å; F112-L185 VanDerWaalsContact CZ-CB 3.48Å; F112-L185 HydrophobicContact CZ-CD1 4.5Å; F112-F189 HydrophobicContact CD1-CE2 4.35Å; F112-F189 AromaticContact CE1-CD2 3.49Å; F112-F189 HydrophobicContact CE1-CD2 3.49Å; F112-F189 VanDerWaalsContact CE1-CD2 3.49Å; F112-F189 AromaticContact CE1-CE2 3.39Å; F112-F189 HydrophobicContact CE1-CE2 3.39Å; F112-F189 HydrophobicContact CE1-CZ 4.35Å; F112-F189 AromaticContact CZ-CD2 3.6Å; F112-F189 HydrophobicContact CZ-CD2 3.6Å; F112-F189 AromaticContact CZ-CE2 3.95Å; F112-F189 HydrophobicContact CZ-CE2 3.95Å; F112-I280 HydrophobicContact CB-CD1 4.1Å; F112-I280 HydrophobicContact CD1-CD1 3.57Å; F112-I280 HydrophobicContact CD1-CG1 4.07Å; F112-I280 HydrophobicContact CE1-CD1 4.44Å; F112-I280 HydrophobicContact CE1-CG1 4.5Å; F112-I280 HydrophobicContact CG-CD1 4.22Å
113	N	55.7	Low	43.8	Very low	0 Å²	0	24.3 Å²	24.3	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-61.6	-43.3	176.8	-157.7	70.9	0	0	0	110.7	L109 T110 S115 L116 L117 S277 P279 I280 L330	L109-N113 WeakPolarHBondContact O-CB 3.47Å; L109-N113 PolarHBondContact O-N 3.36Å; T110-N113 PolarHBondContact O-N 2.7Å; N113-S115 VanDerWaalsContact C-N 3.27Å; N113-S115 PolarHBondContact O-N 3.16Å; N113-L116 PolarHBondContact O-N 2.9Å; N113-L117 WeakPolarHBondContact O-CB 3.38Å; N113-L117 WeakPolarHBondContact O-CG 3.48Å; N113-L117 PolarHBondContact O-N 3.25Å; N113-S277 PolarHBondContact ND2-O 2.98Å; N113-P279 WeakPolarHBondContact OD1-CD 3.22Å; N113-P279 WeakPolarHBondContact OD1-CG 3.39Å; N113-I280 HydrophobicContact CB-CD1 3.93Å; N113-L330 HydrophobicContact CB-CD1 3.8Å; N113-L330 HydrophobicContact CB-CD2 3.84Å
114	T	52.6	Low	43.7	Very low	18 Å²	18	24.5 Å²	24.5	11%	0.11	15%	0.148	C	C	.	.	H	α-helix	trans	-60.5	-38.3	174.2	-54.9	0	0	0	0	111.2	T110 S111 F112 L117 S118 F124	T110-T114 WeakPolarHBondContact O-CB 3.28Å; T110-T114 PolarHBondContact O-N 3.36Å; T110-T114 PolarHBondContact O-OG1 2.9Å; S111-T114 PolarHBondContact O-N 3.31Å; F112-T114 VanDerWaalsContact C-N 3.31Å; F112-T114 PolarHBondContact O-N 3.46Å; T114-L117 WeakPolarHBondContact O-CB 3.26Å; T114-S118 PolarHBondContact O-N 2.97Å; T114-F124 HydrophobicContact CG2-CE1 4.15Å; T114-F124 HydrophobicContact CG2-CZ 3.79Å
115	S	50.9	Low	43.3	Very low	8 Å²	8	22.7 Å²	22.7	6%	0.056	14%	0.138	C	C	.	.	H	α-helix	trans	-74.8	-31.1	177.6	81.2	0	0	0	0	113.5	S111 F112 N113 S118 G119 R168	S111-S115 WeakPolarHBondContact O-CB 2.98Å; S111-S115 PolarHBondContact O-N 2.99Å; F112-S115 WeakPolarHBondContact CA-OG 3.41Å; F112-S115 CarbonylContact O-C 3.56Å; F112-S115 PolarHBondContact O-N 3.46Å; F112-S115 VanDerWaalsContact O-N 3.09Å; F112-S115 PolarHBondContact O-OG 2.93Å; N113-S115 VanDerWaalsContact C-N 3.27Å; N113-S115 PolarHBondContact O-N 3.16Å; S115-S118 VanDerWaalsContact C-OG 3.27Å; S115-S118 VanDerWaalsContact CA-OG 3.31Å; S115-S118 WeakPolarHBondContact CA-OG 3.46Å; S115-S118 PolarHBondContact O-N 3.31Å; S115-S118 PolarHBondContact O-OG 2.83Å; S115-G119 PolarHBondContact O-N 3Å; S115-R168 WeakPolarHBondContact OG-CD 3.35Å; S115-R168 WeakPolarHBondContact OG-CG 3.39Å; S115-R168 PolarHBondContact OG-NE 3.07Å
116	L	48.6	Very low	42.8	Very low	23 Å²	23	21.8 Å²	21.8	12%	0.12	14%	0.139	C	C	.	.	H	α-helix	trans	-70	-45.6	173.1	-95.8	177.9	0	0	0	110.4	F112 N113 S118 G119 S120 F189 P279	F112-L116 HydrophobicContact CD1-CD1 3.65Å; F112-L116 HydrophobicContact CD1-CG 4.11Å; F112-L116 HydrophobicContact CE1-CD1 3.13Å; F112-L116 HydrophobicContact CE1-CG 3.75Å; F112-L116 HydrophobicContact CZ-CD1 3.98Å; F112-L116 HydrophobicContact CZ-CG 4.3Å; F112-L116 PolarHBondContact O-N 3.26Å; N113-L116 PolarHBondContact O-N 2.9Å; L116-S118 PolarHBondContact O-N 2.98Å; L116-G119 WeakPolarHBondContact O-CA 3.24Å; L116-G119 PolarHBondContact O-N 3.24Å; L116-S120 PolarHBondContact O-N 3Å; L116-F189 HydrophobicContact CD1-CD2 4.39Å; L116-F189 HydrophobicContact CD1-CE2 4.37Å; L116-F189 HydrophobicContact CD1-CZ 4.49Å; L116-P279 HydrophobicContact CB-CG 4.08Å; L116-P279 HydrophobicContact CD1-CB 3.95Å; L116-P279 HydrophobicContact CD1-CG 3.4Å; L116-P279 VanDerWaalsContact CD1-CG 3.4Å; L116-P279 HydrophobicContact CG-CG 4.34Å
117	L	40	Very low	42.2	Very low	19 Å²	19	23.8 Å²	23.8	10%	0.099	14%	0.144	C	C	.	.	H	α-helix	trans	-53.1	-44.8	168.8	-78.3	169.4	0	0	0	109.8	N113 T114 G119 S120 I121 N122	N113-L117 WeakPolarHBondContact O-CB 3.38Å; N113-L117 WeakPolarHBondContact O-CG 3.48Å; N113-L117 PolarHBondContact O-N 3.25Å; T114-L117 WeakPolarHBondContact O-CB 3.26Å; L117-G119 PolarHBondContact O-N 3.2Å; L117-S120 PolarHBondContact O-N 3.48Å; L117-I121 CarbonylContact C-O 3.59Å; L117-I121 HydrophobicContact CD2-CB 4.1Å; L117-I121 CarbonylContact O-C 3.52Å; L117-I121 WeakPolarHBondContact O-CA 3.39Å; L117-I121 PolarHBondContact O-N 2.83Å; L117-N122 PolarHBondContact O-N 3.15Å
118	S	32.8	Very low	41.4	Very low	30 Å²	30	27.3 Å²	27.3	21%	0.21	16%	0.155	C	C	.	.	H	α-helix	trans	-58.9	-26.1	176.4	68.5	0	0	0	0	115	T114 S115 L116 N122 L153	T114-S118 PolarHBondContact O-N 2.97Å; S115-S118 VanDerWaalsContact C-OG 3.27Å; S115-S118 VanDerWaalsContact CA-OG 3.31Å; S115-S118 WeakPolarHBondContact CA-OG 3.46Å; S115-S118 PolarHBondContact O-N 3.31Å; S115-S118 PolarHBondContact O-OG 2.83Å; L116-S118 PolarHBondContact O-N 2.98Å; S118-N122 WeakPolarHBondContact CA-OD1 3.39Å; S118-N122 VanDerWaalsContact CB-OD1 3.25Å; S118-N122 WeakPolarHBondContact CB-OD1 3.48Å; S118-L153 WeakPolarHBondContact O-CD2 3.28Å
119	G	33.3	Very low	40.7	Very low	13 Å²	13	30.8 Å²	30.8	13%	0.134	17%	0.174	C	C	.	.	H	α-helix	trans	-86.3	-12.6	176.8	0	0	0	0	0	116.1	S115 L116 L117 M202	S115-G119 PolarHBondContact O-N 3Å; L116-G119 WeakPolarHBondContact O-CA 3.24Å; L116-G119 PolarHBondContact O-N 3.24Å; L117-G119 PolarHBondContact O-N 3.2Å; G119-M202 WeakPolarHBondContact O-CB 3.48Å; G119-M202 PolarHBondContact O-N 3.48Å
120	S	32.1	Very low	39.7	Very low	47 Å²	47	34.5 Å²	34.5	33%	0.329	19%	0.194	S	C	.	.	H	α-helix	trans	-140.5	-30.2	-173	-60.9	0	0	0	0	115.1	L116 L117	L116-S120 PolarHBondContact O-N 3Å; L117-S120 PolarHBondContact O-N 3.48Å
121	I	28.5	Very low	39	Very low	11 Å²	11	40.6 Å²	40.6	6%	0.056	22%	0.224	C	C	.	.			trans	-151.9	73.3	179.6	-52.6	175.6	0	0	0	105.3	L117 G123 H148 V254 L276	L117-I121 CarbonylContact C-O 3.59Å; L117-I121 HydrophobicContact CD2-CB 4.1Å; L117-I121 CarbonylContact O-C 3.52Å; L117-I121 WeakPolarHBondContact O-CA 3.39Å; L117-I121 PolarHBondContact O-N 2.83Å; I121-G123 PolarHBondContact O-N 3.35Å; I121-H148 HydrophobicContact CG2-CB 3.95Å; I121-V254 HydrophobicContact CD1-CG1 3.9Å; I121-V254 HydrophobicContact CG1-CG1 4.03Å; I121-L276 HydrophobicContact CD1-CB 3.86Å
122	N	28.8	Very low	38.3	Very low	14 Å²	14	41.4 Å²	41.4	8%	0.075	23%	0.229	C	C	.	.			trans	-57.4	115.4	164.6	-109.6	-23.2	0	0	0	103.2	L117 S118 H148 F149 A150 A151	L117-N122 PolarHBondContact O-N 3.15Å; S118-N122 WeakPolarHBondContact CA-OD1 3.39Å; S118-N122 VanDerWaalsContact CB-OD1 3.25Å; S118-N122 WeakPolarHBondContact CB-OD1 3.48Å; N122-H148 CarbonylContact O-C 3.57Å; N122-F149 CarbonylContact C-O 3.46Å; N122-F149 VanDerWaalsContact CB-O 3.3Å; N122-F149 WeakPolarHBondContact CB-O 3.47Å; N122-F149 CarbonylContact O-C 3.47Å; N122-F149 PolarHBondContact O-N 3.44Å; N122-F149 VanDerWaalsContact O-N 3.15Å; N122-A150 VanDerWaalsContact CB-CA 3.44Å; N122-A150 HydrophobicContact CB-CB 4.24Å; N122-A150 PolarHBondContact O-N 3.06Å; N122-A151 PolarHBondContact ND2-O 3.18Å; N122-A151 VanDerWaalsContact ND2-O 3.12Å
123	G	30.5	Very low	37.4	Very low	14 Å²	14	46.6 Å²	46.6	14%	0.144	27%	0.272	C	S	.	.			trans	-152.1	63.8	-166.9	0	0	0	0	0	105.8	I121 F125	I121-G123 PolarHBondContact O-N 3.35Å; G123-F125 PolarHBondContact O-N 3.35Å
124	F	32.3	Very low	36.6	Very low	66 Å²	66	49.4 Å²	49.4	29%	0.289	30%	0.301	S	S	.	.			trans	-78.3	103.1	170	-75.8	-85.3	0	0	0	105.9	T114 R127	T114-F124 HydrophobicContact CG2-CE1 4.15Å; T114-F124 HydrophobicContact CG2-CZ 3.79Å; F124-R127 HydrophobicContact CD1-CB 4.4Å
125	F	36.2	Very low	36.4	Very low	14 Å²	14	60.4 Å²	60.4	6%	0.061	34%	0.34	C	S	.	.			trans	-36.5	150.3	144.6	-58	-93.6	0	0	0	108.4	G123 R127 I142 V146 D337	G123-F125 PolarHBondContact O-N 3.35Å; F125-R127 WeakPolarHBondContact O-CA 3.4Å; F125-R127 WeakPolarHBondContact O-CB 3.48Å; F125-R127 PolarHBondContact O-N 2.77Å; F125-I142 HydrophobicContact CB-CG1 4.28Å; F125-I142 HydrophobicContact CD1-CB 4.4Å; F125-I142 HydrophobicContact CD1-CD1 3.27Å; F125-I142 HydrophobicContact CD1-CG1 3.64Å; F125-I142 HydrophobicContact CD1-CG2 3.82Å; F125-I142 HydrophobicContact CE1-CD1 3.28Å; F125-I142 HydrophobicContact CE1-CG1 4.19Å; F125-I142 HydrophobicContact CG-CD1 3.97Å; F125-I142 HydrophobicContact CG-CG1 4.04Å; F125-I142 HydrophobicContact CZ-CD1 4.02Å; F125-V146 HydrophobicContact CD1-CB 4.16Å; F125-V146 HydrophobicContact CD1-CG1 3.45Å; F125-V146 VanDerWaalsContact CD1-CG1 3.45Å; F125-V146 HydrophobicContact CD1-CG2 3.79Å; F125-V146 HydrophobicContact CE1-CB 4.25Å; F125-V146 HydrophobicContact CE1-CG1 3.22Å; F125-V146 HydrophobicContact CE1-CG2 4.05Å; F125-V146 HydrophobicContact CZ-CG1 4.17Å; F125-D337 HydrophobicContact CZ-CB 4.3Å
126	G	32.1	Very low	36.2	Very low	28 Å²	28	61.8 Å²	61.8	29%	0.289	36%	0.356	S	S	.	.	S	Bend	trans	-53.6	81.4	166.3	0	0	0	0	0	110.1	H128 H143	G126-H128 PolarHBondContact O-N 3.29Å; G126-H143 PolarHBondContact O-CE1 3.04Å; G126-H143 PolarHBondContact O-ND1 3.37Å; G126-H143 VanDerWaalsContact O-ND1 3.14Å
127	R	34.3	Very low	36.4	Very low	55 Å²	55	63 Å²	63	21%	0.208	37%	0.366	C	S	.	.			trans	-101.1	75.2	-163.6	-172.8	-178.3	-173.2	-176.3	-0.3	104.4	F124 F125 L129	F124-R127 HydrophobicContact CD1-CB 4.4Å; F125-R127 WeakPolarHBondContact O-CA 3.4Å; F125-R127 WeakPolarHBondContact O-CB 3.48Å; F125-R127 PolarHBondContact O-N 2.77Å; R127-L129 HydrophobicContact CG-CB 4.46Å; R127-L129 HydrophobicContact CG-CD1 4.17Å; R127-L129 HydrophobicContact CG-CG 3.99Å; R127-L129 VanDerWaalsContact CZ-CD1 3.44Å; R127-L129 PolarHBondContact O-N 2.76Å
128	H	34.2	Very low	37.3	Very low	143 Å²	143	65.6 Å²	65.6	66%	0.662	38%	0.375	S	S	*	.			trans	-71.2	92	151.1	-119.7	55.1	0	0	0	106	G126 D130	G126-H128 PolarHBondContact O-N 3.29Å; H128-D130 VanDerWaalsContact CD2-CG 3.46Å; H128-D130 IonicContact CD2-OD1 3.75Å; H128-D130 PolarHBondContact CD2-OD1 2.99Å; H128-D130 IonicContact CD2-OD2 2.76Å; H128-D130 PolarHBondContact CD2-OD2 3.24Å; H128-D130 IonicContact CG-OD1 3.23Å; H128-D130 IonicContact NE2-OD1 2.66Å; H128-D130 PolarHBondContact O-N 3.39Å
129	L	35	Very low	38.4	Very low	74 Å²	74	65.9 Å²	65.9	39%	0.387	38%	0.376	S	S	.	.			trans	-71.4	69.9	160.1	-104.3	164.6	0	0	0	106.1	R127 I131 Y138	R127-L129 HydrophobicContact CG-CB 4.46Å; R127-L129 HydrophobicContact CG-CD1 4.17Å; R127-L129 HydrophobicContact CG-CG 3.99Å; R127-L129 VanDerWaalsContact CZ-CD1 3.44Å; R127-L129 PolarHBondContact O-N 2.76Å; L129-I131 VanDerWaalsContact C-N 3.26Å; L129-I131 PolarHBondContact O-N 3.14Å; L129-Y138 HydrophobicContact CD2-CE2 4.24Å
130	D	36.7	Very low	39.5	Very low	109 Å²	109	65.6 Å²	65.6	58%	0.583	37%	0.371	S	S	*	.			trans	-70.2	98.2	162.4	-76	-26.1	0	0	0	105.9	H128 P132	H128-D130 VanDerWaalsContact CD2-CG 3.46Å; H128-D130 IonicContact CD2-OD1 3.75Å; H128-D130 PolarHBondContact CD2-OD1 2.99Å; H128-D130 IonicContact CD2-OD2 2.76Å; H128-D130 PolarHBondContact CD2-OD2 3.24Å; H128-D130 IonicContact CG-OD1 3.23Å; H128-D130 IonicContact NE2-OD1 2.66Å; H128-D130 PolarHBondContact O-N 3.39Å; D130-P132 WeakPolarHBondContact O-CD 3.39Å; D130-P132 VanDerWaalsContact O-N 3.11Å
131	I	36.2	Very low	40.7	Very low	145 Å²	145	66 Å²	66	74%	0.744	37%	0.366	S	S	*	.			trans	-62.9	107.6	156.4	-57.7	172.8	0	0	0	103.4	L129 A133	L129-I131 VanDerWaalsContact C-N 3.26Å; L129-I131 PolarHBondContact O-N 3.14Å; I131-A133 PolarHBondContact O-N 3.03Å
132	P	38.7	Very low	41.8	Very low	38 Å²	38	65.8 Å²	65.8	25%	0.247	36%	0.364	C	S	.	.			trans	-63.1	133.6	-168.3	-18.2	30.9	0	0	0	109.1	D130 G134	D130-P132 WeakPolarHBondContact O-CD 3.39Å; D130-P132 VanDerWaalsContact O-N 3.11Å; P132-G134 VanDerWaalsContact C-N 3.25Å; P132-G134 PolarHBondContact O-N 2.96Å
133	A	36.9	Very low	42.7	Very low	110 Å²	110	67 Å²	67	91%	0.909	37%	0.37	S	S	*	.	S	Bend	trans	-63.9	90	163.5	0	0	0	0	0	108.1	I131	I131-A133 PolarHBondContact O-N 3.03Å
134	G	38.5	Very low	43.4	Very low	59 Å²	59	68 Å²	68	61%	0.608	38%	0.379	S	S	*	.	S	Bend	trans	162.3	171.9	-179	0	0	0	0	0	115.7	P132 G136	P132-G134 VanDerWaalsContact C-N 3.25Å; P132-G134 PolarHBondContact O-N 2.96Å; G134-G136 VanDerWaalsContact C-N 3.3Å; G134-G136 PolarHBondContact O-N 3.4Å
135	R	48.2	Very low	44.1	Very low	248 Å²	248	71.1 Å²	71.1	94%	0.936	39%	0.394	S	S	*	.	S	Bend	trans	-82.6	13.9	-174.6	-63.3	-174.1	180	-175.9	1	115.4
136	G	46.1	Very low	44.7	Very low	38 Å²	38	70.8 Å²	70.8	39%	0.392	39%	0.394	S	S	.	.	S	Bend	trans	-80.5	156.8	-176.8	0	0	0	0	0	113.4	G134	G134-G136 VanDerWaalsContact C-N 3.3Å; G134-G136 PolarHBondContact O-N 3.4Å
137	P	53.9	Low	45.3	Very low	49 Å²	49	73.8 Å²	73.8	32%	0.318	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-61.8	147.7	173.9	25.1	-31.8	0	0	0	111.5	C139 S430	P137-C139 PolarHBondContact O-N 3.07Å; P137-S430 WeakPolarHBondContact CB-OG 3.46Å
138	Y	57.9	Low	45.7	Very low	73 Å²	73	73.8 Å²	73.8	29%	0.286	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-53.8	139.3	169.1	173.9	-92.3	0	0	0	110.2	L129 F140 P329 E332	L129-Y138 HydrophobicContact CD2-CE2 4.24Å; Y138-F140 HydrophobicContact CE1-CB 4.26Å; Y138-P329 HydrophobicContact CE1-CB 3.81Å; Y138-P329 HydrophobicContact CE1-CG 4.32Å; Y138-E332 WeakPolarHBondContact CD1-OE1 3.24Å
139	C	55.8	Low	45.7	Very low	35 Å²	35	71.7 Å²	71.7	24%	0.236	39%	0.388	C	S	.	.			trans	-148.4	119.4	175.3	-175	0	0	0	0	110.7	P137 E332	P137-C139 PolarHBondContact O-N 3.07Å; C139-E332 WeakPolarHBondContact CA-OE2 3.48Å
140	F	56.3	Low	45.6	Very low	7 Å²	7	71 Å²	71	3%	0.031	39%	0.393	C	S	.	.			trans	-76.2	132	169.6	-175.2	-93.9	0	0	0	110.6	Y138 I142 E332 Q333 V336	Y138-F140 HydrophobicContact CE1-CB 4.26Å; F140-I142 HydrophobicContact CE1-CD1 3.73Å; F140-I142 HydrophobicContact CE1-CG1 3.62Å; F140-I142 HydrophobicContact CZ-CD1 4.31Å; F140-I142 HydrophobicContact CZ-CG1 4.04Å; F140-E332 HydrophobicContact CB-CB 3.81Å; F140-E332 PolarHBondContact N-OE2 3.33Å; F140-Q333 HydrophobicContact CD1-CB 4.09Å; F140-Q333 HydrophobicContact CD1-CG 4.49Å; F140-Q333 HydrophobicContact CD2-CB 4.3Å; F140-Q333 HydrophobicContact CE1-CB 3.94Å; F140-Q333 HydrophobicContact CE1-CG 3.84Å; F140-Q333 HydrophobicContact CE2-CB 4.16Å; F140-Q333 HydrophobicContact CE2-CG 4.09Å; F140-Q333 HydrophobicContact CG-CB 4.26Å; F140-Q333 HydrophobicContact CZ-CB 3.99Å; F140-Q333 HydrophobicContact CZ-CG 3.62Å; F140-V336 HydrophobicContact CD1-CB 4.19Å; F140-V336 HydrophobicContact CD1-CG2 4.1Å; F140-V336 HydrophobicContact CE1-CB 4.35Å
141	R	57.1	Low	45.2	Very low	57 Å²	57	67.7 Å²	67.7	22%	0.215	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	148.7	-178.4	-53.8	175.9	-147.9	167.5	13.4	109.7	K460 Y623 Y625	R141-K460 PolarHBondContact NH2-O 3.26Å; R141-Y623 HydrophobicContact CB-CD1 4.26Å; R141-Y625 HydrophobicContact CG-CD1 3.92Å; R141-Y625 HydrophobicContact CG-CE1 4.05Å
142	I	52.6	Low	44.8	Very low	5 Å²	5	71.7 Å²	71.7	3%	0.026	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138	170.1	-68.4	166.8	0	0	0	106.9	F125 F140 V146 V336	F125-I142 HydrophobicContact CB-CG1 4.28Å; F125-I142 HydrophobicContact CD1-CB 4.4Å; F125-I142 HydrophobicContact CD1-CD1 3.27Å; F125-I142 HydrophobicContact CD1-CG1 3.64Å; F125-I142 HydrophobicContact CD1-CG2 3.82Å; F125-I142 HydrophobicContact CE1-CD1 3.28Å; F125-I142 HydrophobicContact CE1-CG1 4.19Å; F125-I142 HydrophobicContact CG-CD1 3.97Å; F125-I142 HydrophobicContact CG-CG1 4.04Å; F125-I142 HydrophobicContact CZ-CD1 4.02Å; F140-I142 HydrophobicContact CE1-CD1 3.73Å; F140-I142 HydrophobicContact CE1-CG1 3.62Å; F140-I142 HydrophobicContact CZ-CD1 4.31Å; F140-I142 HydrophobicContact CZ-CG1 4.04Å; I142-V146 HydrophobicContact CG2-CG2 3.42Å; I142-V146 VanDerWaalsContact CG2-CG2 3.42Å; I142-V336 HydrophobicContact CB-CG1 4.23Å; I142-V336 HydrophobicContact CD1-CB 4.26Å; I142-V336 HydrophobicContact CD1-CG1 3.68Å; I142-V336 HydrophobicContact CG1-CG1 4.08Å
143	H	48.2	Very low	44.7	Very low	41 Å²	41	72 Å²	72	19%	0.19	39%	0.387	C	S	.	.			trans	-131.2	158.7	168.7	68.8	-81.1	0	0	0	109.1	G126 V621 Y623	G126-H143 PolarHBondContact O-CE1 3.04Å; G126-H143 PolarHBondContact O-ND1 3.37Å; G126-H143 VanDerWaalsContact O-ND1 3.14Å; H143-V621 HydrophobicContact CB-CG2 4.22Å; H143-Y623 HydrophobicContact CB-CD1 4.1Å; H143-Y623 HydrophobicContact CB-CE1 3.86Å
144	G	45	Very low	44.4	Very low	33 Å²	33	73.3 Å²	73.3	34%	0.34	37%	0.373	S	S	.	.	S	Bend	trans	78.7	-174.2	176.6	0	0	0	0	0	115.4	V146 V621	G144-V146 PolarHBondContact O-N 3.25Å; G144-V621 VanDerWaalsContact CA-CG1 3.44Å
145	Q	45.9	Very low	44.4	Very low	132 Å²	132	75.5 Å²	75.5	62%	0.617	38%	0.377	S	S	*	.			trans	-67.7	118.3	172.5	-170.8	174.9	5.1	0	0	108.7	Y147	Q145-Y147 WeakPolarHBondContact O-CD1 3.46Å; Q145-Y147 PolarHBondContact O-N 3.12Å
146	V	48.5	Very low	43.7	Very low	7 Å²	7	68.9 Å²	68.9	4%	0.042	36%	0.364	C	S	.	.			trans	-73.4	126.4	175	173.1	0	0	0	0	109	F125 I142 G144 R252 V340	F125-V146 HydrophobicContact CD1-CB 4.16Å; F125-V146 HydrophobicContact CD1-CG1 3.45Å; F125-V146 VanDerWaalsContact CD1-CG1 3.45Å; F125-V146 HydrophobicContact CD1-CG2 3.79Å; F125-V146 HydrophobicContact CE1-CB 4.25Å; F125-V146 HydrophobicContact CE1-CG1 3.22Å; F125-V146 HydrophobicContact CE1-CG2 4.05Å; F125-V146 HydrophobicContact CZ-CG1 4.17Å; I142-V146 HydrophobicContact CG2-CG2 3.42Å; I142-V146 VanDerWaalsContact CG2-CG2 3.42Å; G144-V146 PolarHBondContact O-N 3.25Å; V146-R252 VanDerWaalsContact CB-NH1 3.3Å; V146-R252 PolarHBondContact O-NE 3.46Å; V146-R252 PolarHBondContact O-NH1 3.44Å; V146-R252 PolarHBondContact O-NH2 3.4Å; V146-V340 HydrophobicContact CG2-CG1 4.41Å
147	Y	44.5	Very low	43.2	Very low	92 Å²	92	74.3 Å²	74.3	36%	0.361	38%	0.384	S	S	.	.			trans	-137.8	158.7	172.9	56.3	-97.9	0	0	0	110.3	Q145 F149	Q145-Y147 WeakPolarHBondContact O-CD1 3.46Å; Q145-Y147 PolarHBondContact O-N 3.12Å; Y147-F149 HydrophobicContact CD2-CB 3.54Å; Y147-F149 HydrophobicContact CE2-CB 3.44Å; Y147-F149 VanDerWaalsContact CE2-CB 3.44Å; Y147-F149 HydrophobicContact CE2-CG 4.35Å
148	H	43.1	Very low	42.9	Very low	54 Å²	54	73.9 Å²	73.9	25%	0.25	38%	0.381	C	S	.	.			trans	-101.5	96.9	172.2	-68.1	-70.9	0	0	0	108	I121 N122	I121-H148 HydrophobicContact CG2-CB 3.95Å; N122-H148 CarbonylContact O-C 3.57Å
149	F	34.6	Very low	42.6	Very low	99 Å²	99	79.2 Å²	79.2	43%	0.434	40%	0.401	S	S	.	.			trans	-102.8	115.1	179.9	178.2	-99.7	0	0	0	113.1	N122 Y147 A151	N122-F149 CarbonylContact C-O 3.46Å; N122-F149 VanDerWaalsContact CB-O 3.3Å; N122-F149 WeakPolarHBondContact CB-O 3.47Å; N122-F149 CarbonylContact O-C 3.47Å; N122-F149 PolarHBondContact O-N 3.44Å; N122-F149 VanDerWaalsContact O-N 3.15Å; Y147-F149 HydrophobicContact CD2-CB 3.54Å; Y147-F149 HydrophobicContact CE2-CB 3.44Å; Y147-F149 VanDerWaalsContact CE2-CB 3.44Å; Y147-F149 HydrophobicContact CE2-CG 4.35Å; F149-A151 HydrophobicContact CD1-CB 4.06Å; F149-A151 HydrophobicContact CE1-CB 3.74Å; F149-A151 PolarHBondContact O-N 3.01Å
150	A	32.5	Very low	42.6	Very low	59 Å²	59	82.5 Å²	82.5	49%	0.488	42%	0.416	S	S	.	.			trans	-80.6	94.7	177.1	0	0	0	0	0	112.5	N122	N122-A150 VanDerWaalsContact CB-CA 3.44Å; N122-A150 HydrophobicContact CB-CB 4.24Å; N122-A150 PolarHBondContact O-N 3.06Å
151	A	30	Very low	42.5	Very low	41 Å²	41	83.8 Å²	83.8	34%	0.339	43%	0.425	S	S	.	.			trans	-76	161	176.5	0	0	0	0	0	113.7	N122 F149	N122-A151 PolarHBondContact ND2-O 3.18Å; N122-A151 VanDerWaalsContact ND2-O 3.12Å; F149-A151 HydrophobicContact CD1-CB 4.06Å; F149-A151 HydrophobicContact CE1-CB 3.74Å; F149-A151 PolarHBondContact O-N 3.01Å
152	R	26.6	Very low	42.4	Very low	228 Å²	228	87.1 Å²	87.1	86%	0.86	44%	0.443	S	S	*	.			trans	-59.9	142.1	-178.4	-67.9	-174.9	179.2	-167.7	-1.2	113
153	L	35.8	Very low	42.6	Very low	46 Å²	46	91 Å²	91	24%	0.241	46%	0.461	C	S	.	.			trans	-122.1	93.3	-165.7	-74.4	161.7	0	0	0	111.6	S118 M202	S118-L153 WeakPolarHBondContact O-CD2 3.28Å; L153-M202 HydrophobicContact CD1-CB 3.5Å; L153-M202 HydrophobicContact CD1-CG 3.39Å
154	H	32	Very low	43.1	Very low	136 Å²	136	91.1 Å²	91.1	63%	0.63	46%	0.463	S	S	*	.			trans	-138.6	150.1	172.2	-68.3	-43.1	0	0	0	111.5	E206 E210	H154-E206 IonicContact CE1-OE1 3.78Å; H154-E206 PolarHBondContact CE1-OE1 3.06Å; H154-E206 VanDerWaalsContact CE1-OE1 3.23Å; H154-E206 IonicContact ND1-OE1 3.79Å; H154-E206 IonicContact NE2-OE1 2.82Å; H154-E210 IonicContact CE1-OE1 2.63Å
155	P	37.8	Very low	43.8	Very low	106 Å²	106	89.6 Å²	89.6	69%	0.688	45%	0.446	S	S	*	.	S	Bend	cis	-126.2	148.3	16.5	26.4	-3.7	0	0	0	117.4
156	T	33	Very low	44.3	Very low	108 Å²	108	86.1 Å²	86.1	66%	0.663	43%	0.434	S	S	*	.			trans	50.2	119.6	153.8	48.8	0	0	0	0	124	K167	T156-K167 WeakPolarHBondContact O-CE 3.35Å; T156-K167 PolarHBondContact O-NZ 3.4Å
157	L	36.9	Very low	44.9	Very low	153 Å²	153	89.2 Å²	89.2	80%	0.801	45%	0.447	S	S	*	.			trans	53.1	108.4	143.9	-61.4	168.5	0	0	0	121	K167	L157-K167 WeakPolarHBondContact O-CE 3.14Å; L157-K167 PolarHBondContact O-NZ 3.48Å
158	S	46.3	Very low	45.9	Very low	39 Å²	39	86.1 Å²	86.1	27%	0.273	44%	0.435	S	S	.	.			trans	-178.6	144.2	154.9	49.9	0	0	0	0	114.9	K167	S158-K167 VanDerWaalsContact OG-CD 3.24Å; S158-K167 WeakPolarHBondContact OG-CD 3.49Å; S158-K167 WeakPolarHBondContact OG-CE 3.31Å; S158-K167 PolarHBondContact OG-NZ 2.91Å
159	R	52	Low	46.9	Very low	186 Å²	186	84.7 Å²	84.7	70%	0.702	43%	0.429	S	S	*	.			trans	-110.8	-18.7	178.1	-77.2	-178.5	167.8	159.3	0.4	114.2
160	L	55.7	Low	48.3	Very low	103 Å²	103	85.8 Å²	85.8	54%	0.539	44%	0.439	S	S	.	.	S	Bend	trans	-84.4	139.9	-173.8	-67.9	164.7	0	0	0	111.1	E162 Q163 I164	L160-E162 VanDerWaalsContact C-N 3.26Å; L160-E162 PolarHBondContact O-N 2.88Å; L160-Q163 HydrophobicContact CB-CB 4.43Å; L160-Q163 HydrophobicContact CB-CG 4.13Å; L160-Q163 PolarHBondContact O-N 3.43Å; L160-I164 WeakPolarHBondContact O-CG1 3.14Å; L160-I164 PolarHBondContact O-N 2.87Å
161	P	55	Low	49.8	Very low	34 Å²	34	86.3 Å²	86.3	22%	0.221	43%	0.434	C	S	.	.	H	α-helix	trans	-53.4	-38.9	-179.6	-27.9	34.6	0	0	0	114.4	I164 A165 S186 T187	P161-I164 PolarHBondContact O-N 3.42Å; P161-A165 WeakPolarHBondContact O-CB 3.35Å; P161-A165 PolarHBondContact O-N 3.47Å; P161-S186 WeakPolarHBondContact O-CB 3.45Å; P161-T187 WeakPolarHBondContact CB-OG1 3.42Å
162	E	54.3	Low	51.2	Low	127 Å²	127	92.1 Å²	92.1	59%	0.593	46%	0.458	S	S	*	.	H	α-helix	trans	-60.5	-45.4	174.3	-80.8	169.8	-180	0	0	112.2	L160 I164 A165 V166 T183	L160-E162 VanDerWaalsContact C-N 3.26Å; L160-E162 PolarHBondContact O-N 2.88Å; E162-I164 VanDerWaalsContact C-N 3.35Å; E162-I164 PolarHBondContact O-N 3.04Å; E162-A165 WeakPolarHBondContact O-CB 3.27Å; E162-A165 PolarHBondContact O-N 3.17Å; E162-A165 VanDerWaalsContact O-N 3.17Å; E162-V166 WeakPolarHBondContact O-CG2 3.43Å; E162-V166 PolarHBondContact O-N 2.94Å; E162-T183 HydrophobicContact CB-CG2 4.34Å; E162-T183 HydrophobicContact CG-CG2 3.46Å; E162-T183 VanDerWaalsContact CG-CG2 3.46Å
163	Q	57	Low	52.7	Low	88 Å²	88	88.4 Å²	88.4	41%	0.411	44%	0.444	S	S	.	.	H	α-helix	trans	-70	-33.7	179.2	-64	176.1	-28.5	0	0	111.8	L160 A165 K167	L160-Q163 HydrophobicContact CB-CB 4.43Å; L160-Q163 HydrophobicContact CB-CG 4.13Å; L160-Q163 PolarHBondContact O-N 3.43Å; Q163-A165 VanDerWaalsContact C-N 3.29Å; Q163-K167 WeakPolarHBondContact O-CB 3.42Å; Q163-K167 VanDerWaalsContact O-CG 3.26Å; Q163-K167 WeakPolarHBondContact O-CG 3.13Å; Q163-K167 PolarHBondContact O-N 3.24Å
164	I	59.6	Low	54.1	Low	43 Å²	43	86.4 Å²	86.4	22%	0.221	43%	0.434	C	S	.	.	H	α-helix	trans	-62.8	-40.9	171.9	-64.8	169.5	0	0	0	109.7	L160 P161 E162 K167 R168	L160-I164 WeakPolarHBondContact O-CG1 3.14Å; L160-I164 PolarHBondContact O-N 2.87Å; P161-I164 PolarHBondContact O-N 3.42Å; E162-I164 VanDerWaalsContact C-N 3.35Å; E162-I164 PolarHBondContact O-N 3.04Å; I164-K167 PolarHBondContact O-N 3.34Å; I164-R168 WeakPolarHBondContact O-CG 3.43Å; I164-R168 PolarHBondContact O-N 3.17Å
165	A	57.9	Low	55.7	Low	0 Å²	0	83.5 Å²	83.5	0%	0	43%	0.433	C	S	.	.	H	α-helix	trans	-67	-47.8	177.5	0	0	0	0	0	112.9	P161 E162 Q163 K167 R168 L169 M182 T183	P161-A165 WeakPolarHBondContact O-CB 3.35Å; P161-A165 PolarHBondContact O-N 3.47Å; E162-A165 WeakPolarHBondContact O-CB 3.27Å; E162-A165 PolarHBondContact O-N 3.17Å; E162-A165 VanDerWaalsContact O-N 3.17Å; Q163-A165 VanDerWaalsContact C-N 3.29Å; A165-K167 PolarHBondContact O-N 3.34Å; A165-R168 WeakPolarHBondContact O-CB 3.42Å; A165-R168 PolarHBondContact O-N 2.66Å; A165-R168 VanDerWaalsContact O-N 3.1Å; A165-L169 WeakPolarHBondContact O-CD1 3.46Å; A165-L169 VanDerWaalsContact O-CG 3.28Å; A165-L169 WeakPolarHBondContact O-CG 3.35Å; A165-L169 PolarHBondContact O-N 3.01Å; A165-M182 HydrophobicContact CB-CB 4.11Å; A165-M182 HydrophobicContact CB-CG 3.7Å; A165-T183 VanDerWaalsContact CB-OG1 3.32Å; A165-T183 WeakPolarHBondContact CB-OG1 3.39Å
166	V	57.7	Low	57.2	Low	59 Å²	59	82.5 Å²	82.5	36%	0.358	43%	0.429	S	S	.	.	H	α-helix	trans	-52.4	-44.4	173.1	172.9	0	0	0	0	110.7	E162 L169 N170 H179	E162-V166 WeakPolarHBondContact O-CG2 3.43Å; E162-V166 PolarHBondContact O-N 2.94Å; V166-L169 WeakPolarHBondContact O-CB 3.27Å; V166-L169 PolarHBondContact O-N 2.7Å; V166-L169 VanDerWaalsContact O-N 3.17Å; V166-N170 PolarHBondContact O-N 2.87Å; V166-N170 PolarHBondContact O-OD1 2.84Å; V166-H179 WeakPolarHBondContact CG2-NE2 3.23Å
167	K	61.1	Low	59	Low	73 Å²	73	77.8 Å²	77.8	32%	0.317	40%	0.4	S	S	.	.	H	α-helix	trans	-65.6	-40.3	178	-76.9	177.6	173	-173.9	0	114.2	T156 L157 S158 Q163 I164 A165 L169 N170	T156-K167 WeakPolarHBondContact O-CE 3.35Å; T156-K167 PolarHBondContact O-NZ 3.4Å; L157-K167 WeakPolarHBondContact O-CE 3.14Å; L157-K167 PolarHBondContact O-NZ 3.48Å; S158-K167 VanDerWaalsContact OG-CD 3.24Å; S158-K167 WeakPolarHBondContact OG-CD 3.49Å; S158-K167 WeakPolarHBondContact OG-CE 3.31Å; S158-K167 PolarHBondContact OG-NZ 2.91Å; Q163-K167 WeakPolarHBondContact O-CB 3.42Å; Q163-K167 VanDerWaalsContact O-CG 3.26Å; Q163-K167 WeakPolarHBondContact O-CG 3.13Å; Q163-K167 PolarHBondContact O-N 3.24Å; I164-K167 PolarHBondContact O-N 3.34Å; A165-K167 PolarHBondContact O-N 3.34Å; K167-L169 PolarHBondContact O-N 3.33Å; K167-N170 PolarHBondContact O-N 3.27Å
168	R	64.8	Low	60.8	Low	26 Å²	26	74.3 Å²	74.3	10%	0.098	38%	0.376	C	S	.	.	H	α-helix	trans	-60.3	-39.9	173.7	-73	173.9	172.8	153.5	8.5	110.2	S115 I164 A165 N170 N171 N174 M182 S186	S115-R168 WeakPolarHBondContact OG-CD 3.35Å; S115-R168 WeakPolarHBondContact OG-CG 3.39Å; S115-R168 PolarHBondContact OG-NE 3.07Å; I164-R168 WeakPolarHBondContact O-CG 3.43Å; I164-R168 PolarHBondContact O-N 3.17Å; A165-R168 WeakPolarHBondContact O-CB 3.42Å; A165-R168 PolarHBondContact O-N 2.66Å; A165-R168 VanDerWaalsContact O-N 3.1Å; R168-N170 VanDerWaalsContact C-N 3.31Å; R168-N170 PolarHBondContact O-N 3.07Å; R168-N171 WeakPolarHBondContact O-CB 3.49Å; R168-N171 PolarHBondContact O-N 2.91Å; R168-N174 WeakPolarHBondContact O-CB 3.33Å; R168-N174 PolarHBondContact O-ND2 2.77Å; R168-M182 HydrophobicContact CB-CE 3.94Å; R168-M182 HydrophobicContact CB-CG 3.95Å; R168-M182 HydrophobicContact CB-SD 3.49Å; R168-M182 WeakPolarHBondContact CB-SD 3.08Å; R168-M182 VanDerWaalsContact CD-SD 3.59Å; R168-M182 HydrophobicContact CG-SD 4.17Å; R168-S186 PolarHBondContact NH1-OG 3.31Å
169	L	65.3	Low	62.2	Low	24 Å²	24	76.8 Å²	76.8	13%	0.126	38%	0.384	C	S	.	.	H	α-helix	trans	-68.2	-29.4	177.9	-63.8	158.2	0	0	0	112.9	A165 V166 K167 N171 C177 H179 M182	A165-L169 WeakPolarHBondContact O-CD1 3.46Å; A165-L169 VanDerWaalsContact O-CG 3.28Å; A165-L169 WeakPolarHBondContact O-CG 3.35Å; A165-L169 PolarHBondContact O-N 3.01Å; V166-L169 WeakPolarHBondContact O-CB 3.27Å; V166-L169 PolarHBondContact O-N 2.7Å; V166-L169 VanDerWaalsContact O-N 3.17Å; K167-L169 PolarHBondContact O-N 3.33Å; L169-N171 PolarHBondContact O-N 3.21Å; L169-C177 HydrophobicContact CD2-CB 3.74Å; L169-C177 WeakPolarHBondContact CD2-O 3.31Å; L169-H179 HydrophobicContact CD1-CB 3.71Å; L169-H179 WeakPolarHBondContact CD1-CD2 3.39Å; L169-M182 HydrophobicContact CD1-CB 4.21Å; L169-M182 HydrophobicContact CD1-CG 4.37Å; L169-M182 HydrophobicContact CD2-CB 4.16Å; L169-M182 HydrophobicContact CD2-CE 3.86Å; L169-M182 HydrophobicContact CD2-CG 4.35Å; L169-M182 HydrophobicContact CG-CB 4.19Å; L169-M182 HydrophobicContact CG-CE 4.24Å; L169-M182 HydrophobicContact CG-CG 4.05Å
170	N	64	Low	63.4	Low	122 Å²	122	75.2 Å²	75.2	65%	0.652	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.2	-12.6	174.5	-70.8	-9.5	0	0	0	113.6	V166 K167 R168 L172	V166-N170 PolarHBondContact O-N 2.87Å; V166-N170 PolarHBondContact O-OD1 2.84Å; K167-N170 PolarHBondContact O-N 3.27Å; R168-N170 VanDerWaalsContact C-N 3.31Å; R168-N170 PolarHBondContact O-N 3.07Å; N170-L172 PolarHBondContact O-N 3.11Å
171	N	62.9	Low	64.4	Low	71 Å²	71	70.8 Å²	70.8	38%	0.38	36%	0.361	S	S	.	.	S	Bend	trans	-70.3	124.3	167.6	-171.3	-39.8	0	0	0	108.4	R168 L169 R173 N174 A175	R168-N171 WeakPolarHBondContact O-CB 3.49Å; R168-N171 PolarHBondContact O-N 2.91Å; L169-N171 PolarHBondContact O-N 3.21Å; N171-R173 PolarHBondContact O-N 2.64Å; N171-R173 WeakPolarHBondContact OD1-CB 3.41Å; N171-R173 PolarHBondContact OD1-N 2.7Å; N171-N174 HydrophobicContact CB-CB 4.4Å; N171-N174 WeakPolarHBondContact O-CA 3.28Å; N171-N174 PolarHBondContact O-N 2.69Å; N171-A175 PolarHBondContact O-N 3Å
172	L	60.4	Low	65.3	Low	162 Å²	162	69.2 Å²	69.2	85%	0.848	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-49.5	-33.7	180	-69.6	170	0	0	0	112.9	N170 N174 A175	N170-L172 PolarHBondContact O-N 3.11Å; L172-N174 PolarHBondContact O-N 3.09Å; L172-A175 WeakPolarHBondContact O-CB 3.44Å; L172-A175 PolarHBondContact O-N 2.95Å
173	R	57.7	Low	66.3	Low	150 Å²	150	64 Å²	64	57%	0.566	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-69.5	-15.8	177.5	-65.4	-175.4	173.7	176.3	-1.7	114.5	S111 N171	S111-R173 PolarHBondContact OG-O 3.45Å; N171-R173 PolarHBondContact O-N 2.64Å; N171-R173 WeakPolarHBondContact OD1-CB 3.41Å; N171-R173 PolarHBondContact OD1-N 2.7Å
174	N	64.2	Low	67.3	Low	4 Å²	4	61.8 Å²	61.8	2%	0.021	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-112	5.8	-178.4	-58.7	-16.1	0	0	0	111.9	S111 R168 N171 L172 S176 C177 M182	S111-N174 WeakPolarHBondContact CB-OD1 3.48Å; S111-N174 PolarHBondContact OG-OD1 3.42Å; R168-N174 WeakPolarHBondContact O-CB 3.33Å; R168-N174 PolarHBondContact O-ND2 2.77Å; N171-N174 HydrophobicContact CB-CB 4.4Å; N171-N174 WeakPolarHBondContact O-CA 3.28Å; N171-N174 PolarHBondContact O-N 2.69Å; L172-N174 PolarHBondContact O-N 3.09Å; N174-S176 PolarHBondContact O-N 3.14Å; N174-C177 WeakPolarHBondContact O-CB 3.32Å; N174-C177 PolarHBondContact O-N 3.42Å; N174-M182 HydrophobicContact CB-CE 4.15Å
175	A	66.6	Low	68.2	Low	75 Å²	75	61 Å²	61	62%	0.62	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-29.8	-177.8	0	0	0	0	0	112.8	N171 L172 C177	N171-A175 PolarHBondContact O-N 3Å; L172-A175 WeakPolarHBondContact O-CB 3.44Å; L172-A175 PolarHBondContact O-N 2.95Å; A175-C177 VanDerWaalsContact C-N 3.33Å
176	S	69.4	Low	68.9	Low	86 Å²	86	61.1 Å²	61.1	60%	0.601	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-8.4	175.3	56.9	0	0	0	0	114.2	N174	N174-S176 PolarHBondContact O-N 3.14Å
177	C	71.2	Confident	69.9	Low	8 Å²	8	61.3 Å²	61.3	5%	0.054	33%	0.327	C	S	.	.	S	Bend	trans	-76.3	141.9	-178.1	-61.9	0	0	0	0	111	T108 S111 L169 N174 A175 H179 M182	T108-C177 HydrophobicContact CG2-CB 3.89Å; S111-C177 WeakPolarHBondContact CB-SG 3.39Å; L169-C177 HydrophobicContact CD2-CB 3.74Å; L169-C177 WeakPolarHBondContact CD2-O 3.31Å; N174-C177 WeakPolarHBondContact O-CB 3.32Å; N174-C177 PolarHBondContact O-N 3.42Å; A175-C177 VanDerWaalsContact C-N 3.33Å; C177-H179 PolarHBondContact O-N 3.39Å; C177-M182 HydrophobicContact CB-CE 3.7Å
178	R	73.9	Confident	70.8	Confident	80 Å²	80	60.9 Å²	60.9	30%	0.302	33%	0.328	S	S	.	.			trans	-73.2	130.1	177.7	-67.7	-173.5	-173.4	174.9	4.1	111.5	N100 D104 Q180 V181 M182	N100-R178 PolarHBondContact O-NH2 3.42Å; D104-R178 IonicContact OD2-CZ 2.79Å; D104-R178 IonicContact OD2-NE 3.14Å; D104-R178 PolarHBondContact OD2-NE 3.17Å; D104-R178 IonicContact OD2-NH2 2.63Å; D104-R178 PolarHBondContact OD2-NH2 2.8Å; R178-Q180 VanDerWaalsContact C-N 3.32Å; R178-Q180 PolarHBondContact O-N 3.05Å; R178-V181 HydrophobicContact CB-CB 4.32Å; R178-V181 HydrophobicContact CB-CG2 4Å; R178-V181 PolarHBondContact O-N 3.36Å; R178-M182 PolarHBondContact O-N 2.91Å
179	H	75.4	Confident	71.2	Confident	92 Å²	92	60.3 Å²	60.3	43%	0.426	33%	0.326	S	S	.	.	H	α-helix	trans	-56.3	-44.2	179.8	-178.3	-78.4	0	0	0	113.4	V166 L169 C177 V181 M182 T183	V166-H179 WeakPolarHBondContact CG2-NE2 3.23Å; L169-H179 HydrophobicContact CD1-CB 3.71Å; L169-H179 WeakPolarHBondContact CD1-CD2 3.39Å; C177-H179 PolarHBondContact O-N 3.39Å; H179-V181 VanDerWaalsContact C-N 3.34Å; H179-V181 PolarHBondContact O-N 3.34Å; H179-M182 PolarHBondContact O-N 2.87Å; H179-T183 PolarHBondContact CE1-OG1 3.31Å; H179-T183 PolarHBondContact ND1-OG1 2.94Å; H179-T183 VanDerWaalsContact O-CB 3.28Å; H179-T183 WeakPolarHBondContact O-CB 3.17Å; H179-T183 PolarHBondContact O-N 3.35Å; H179-T183 PolarHBondContact O-OG1 3.02Å
180	Q	77.8	Confident	71.7	Confident	153 Å²	153	62.1 Å²	62.1	72%	0.715	34%	0.341	S	S	*	.	H	α-helix	trans	-60.7	-42	179.8	-67.9	176.1	-8	0	0	112	R178 G184	R178-Q180 VanDerWaalsContact C-N 3.32Å; R178-Q180 PolarHBondContact O-N 3.05Å; Q180-G184 PolarHBondContact O-N 2.62Å
181	V	76.4	Confident	72.5	Confident	10 Å²	10	65.7 Å²	65.7	6%	0.061	35%	0.346	C	S	.	.	H	α-helix	trans	-68.2	-47.9	179.3	177.6	0	0	0	0	110.5	L105 T108 R178 H179 T183 G184 L185	L105-V181 HydrophobicContact CD1-CG1 3.47Å; L105-V181 VanDerWaalsContact CD1-CG1 3.47Å; T108-V181 HydrophobicContact CG2-CB 4.14Å; T108-V181 HydrophobicContact CG2-CG1 3.64Å; R178-V181 HydrophobicContact CB-CB 4.32Å; R178-V181 HydrophobicContact CB-CG2 4Å; R178-V181 PolarHBondContact O-N 3.36Å; H179-V181 VanDerWaalsContact C-N 3.34Å; H179-V181 PolarHBondContact O-N 3.34Å; V181-T183 VanDerWaalsContact C-N 3.29Å; V181-T183 PolarHBondContact O-N 3.04Å; V181-G184 PolarHBondContact O-N 2.77Å; V181-L185 HydrophobicContact CG1-CD1 3.94Å; V181-L185 HydrophobicContact CG1-CG 4.35Å; V181-L185 WeakPolarHBondContact O-CB 2.98Å; V181-L185 VanDerWaalsContact O-CG 3.31Å; V181-L185 WeakPolarHBondContact O-CG 3.4Å; V181-L185 PolarHBondContact O-N 3.34Å
182	M	74.4	Confident	73.1	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.5	-41.1	178.6	-170.2	78.7	69.5	0	0	111.8	T108 F112 A165 R168 L169 N174 C177 R178 H179 S186	T108-M182 HydrophobicContact CG2-CE 4.49Å; F112-M182 HydrophobicContact CB-SD 4.31Å; F112-M182 HydrophobicContact CD2-CG 4.37Å; F112-M182 HydrophobicContact CD2-SD 3.31Å; F112-M182 WeakPolarHBondContact CD2-SD 3.09Å; F112-M182 HydrophobicContact CE2-SD 3.99Å; F112-M182 HydrophobicContact CG-SD 4.23Å; A165-M182 HydrophobicContact CB-CB 4.11Å; A165-M182 HydrophobicContact CB-CG 3.7Å; R168-M182 HydrophobicContact CB-CE 3.94Å; R168-M182 HydrophobicContact CB-CG 3.95Å; R168-M182 HydrophobicContact CB-SD 3.49Å; R168-M182 WeakPolarHBondContact CB-SD 3.08Å; R168-M182 VanDerWaalsContact CD-SD 3.59Å; R168-M182 HydrophobicContact CG-SD 4.17Å; L169-M182 HydrophobicContact CD1-CB 4.21Å; L169-M182 HydrophobicContact CD1-CG 4.37Å; L169-M182 HydrophobicContact CD2-CB 4.16Å; L169-M182 HydrophobicContact CD2-CE 3.86Å; L169-M182 HydrophobicContact CD2-CG 4.35Å; L169-M182 HydrophobicContact CG-CB 4.19Å; L169-M182 HydrophobicContact CG-CE 4.24Å; L169-M182 HydrophobicContact CG-CG 4.05Å; N174-M182 HydrophobicContact CB-CE 4.15Å; C177-M182 HydrophobicContact CB-CE 3.7Å; R178-M182 PolarHBondContact O-N 2.91Å; H179-M182 PolarHBondContact O-N 2.87Å; M182-S186 WeakPolarHBondContact O-CB 3.2Å; M182-S186 PolarHBondContact O-N 3.29Å; M182-S186 PolarHBondContact O-OG 3.26Å
183	T	74.9	Confident	73.8	Confident	17 Å²	17	57.5 Å²	57.5	10%	0.104	30%	0.302	C	S	.	.	H	α-helix	trans	-68.1	-47.8	176.8	-60.6	0	0	0	0	111.8	E162 A165 H179 V181 L185 S186 T187	E162-T183 HydrophobicContact CB-CG2 4.34Å; E162-T183 HydrophobicContact CG-CG2 3.46Å; E162-T183 VanDerWaalsContact CG-CG2 3.46Å; A165-T183 VanDerWaalsContact CB-OG1 3.32Å; A165-T183 WeakPolarHBondContact CB-OG1 3.39Å; H179-T183 PolarHBondContact CE1-OG1 3.31Å; H179-T183 PolarHBondContact ND1-OG1 2.94Å; H179-T183 VanDerWaalsContact O-CB 3.28Å; H179-T183 WeakPolarHBondContact O-CB 3.17Å; H179-T183 PolarHBondContact O-N 3.35Å; H179-T183 PolarHBondContact O-OG1 3.02Å; V181-T183 VanDerWaalsContact C-N 3.29Å; V181-T183 PolarHBondContact O-N 3.04Å; T183-L185 PolarHBondContact O-N 3Å; T183-S186 PolarHBondContact O-N 2.86Å; T183-T187 WeakPolarHBondContact O-CB 3.41Å; T183-T187 PolarHBondContact O-N 3.12Å; T183-T187 PolarHBondContact O-OG1 3.4Å
184	G	78.3	Confident	74.5	Confident	42 Å²	42	53.6 Å²	53.6	43%	0.433	29%	0.292	S	S	.	.	H	α-helix	trans	-59.7	-45.6	178.1	0	0	0	0	0	111.8	Q180 V181 T187 L188	Q180-G184 PolarHBondContact O-N 2.62Å; V181-G184 PolarHBondContact O-N 2.77Å; G184-T187 PolarHBondContact O-N 3.25Å; G184-L188 VanDerWaalsContact O-CB 3.28Å; G184-L188 WeakPolarHBondContact O-CB 3.19Å; G184-L188 PolarHBondContact O-N 3.32Å
185	L	77.3	Confident	74.7	Confident	27 Å²	27	54.5 Å²	54.5	14%	0.141	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-47.1	174.9	-71.1	173.7	0	0	0	111.5	L109 F112 V181 T183 T187 L188 F189	L109-L185 HydrophobicContact CD2-CD1 3.86Å; L109-L185 HydrophobicContact CD2-CD2 4.36Å; F112-L185 HydrophobicContact CB-CD1 4.35Å; F112-L185 HydrophobicContact CD1-CD1 4.3Å; F112-L185 HydrophobicContact CD2-CB 3.89Å; F112-L185 HydrophobicContact CD2-CD1 3.76Å; F112-L185 HydrophobicContact CE1-CB 4.1Å; F112-L185 HydrophobicContact CE2-CB 3.35Å; F112-L185 HydrophobicContact CE2-CD1 4.12Å; F112-L185 HydrophobicContact CE2-CG 4.4Å; F112-L185 HydrophobicContact CG-CD1 3.92Å; F112-L185 HydrophobicContact CZ-CB 3.48Å; F112-L185 VanDerWaalsContact CZ-CB 3.48Å; F112-L185 HydrophobicContact CZ-CD1 4.5Å; V181-L185 HydrophobicContact CG1-CD1 3.94Å; V181-L185 HydrophobicContact CG1-CG 4.35Å; V181-L185 WeakPolarHBondContact O-CB 2.98Å; V181-L185 VanDerWaalsContact O-CG 3.31Å; V181-L185 WeakPolarHBondContact O-CG 3.4Å; V181-L185 PolarHBondContact O-N 3.34Å; T183-L185 PolarHBondContact O-N 3Å; L185-T187 VanDerWaalsContact C-N 3.31Å; L185-T187 PolarHBondContact O-N 3.38Å; L185-L188 WeakPolarHBondContact O-CB 3.03Å; L185-L188 PolarHBondContact O-N 2.97Å; L185-F189 HydrophobicContact CB-CD2 4.48Å; L185-F189 HydrophobicContact CD2-CE2 4.47Å; L185-F189 WeakPolarHBondContact O-CD2 3.33Å; L185-F189 PolarHBondContact O-N 3.13Å
186	S	73.1	Confident	74.8	Confident	3 Å²	3	52.7 Å²	52.7	2%	0.021	28%	0.281	C	S	.	.	H	α-helix	trans	-58.6	-45	179.8	-58.5	0	0	0	0	111.6	P161 R168 M182 T183 F189 S190	P161-S186 WeakPolarHBondContact O-CB 3.45Å; R168-S186 PolarHBondContact NH1-OG 3.31Å; M182-S186 WeakPolarHBondContact O-CB 3.2Å; M182-S186 PolarHBondContact O-N 3.29Å; M182-S186 PolarHBondContact O-OG 3.26Å; T183-S186 PolarHBondContact O-N 2.86Å; S186-F189 PolarHBondContact O-N 3.42Å; S186-S190 PolarHBondContact O-N 2.68Å; S186-S190 PolarHBondContact O-OG 3.16Å
187	T	78.1	Confident	74.7	Confident	63 Å²	63	50.1 Å²	50.1	39%	0.387	27%	0.268	S	S	.	.	H	α-helix	trans	-63.4	-43.4	176.8	-54.3	0	0	0	0	111.5	P161 T183 G184 L185 R191	P161-T187 WeakPolarHBondContact CB-OG1 3.42Å; T183-T187 WeakPolarHBondContact O-CB 3.41Å; T183-T187 PolarHBondContact O-N 3.12Å; T183-T187 PolarHBondContact O-OG1 3.4Å; G184-T187 PolarHBondContact O-N 3.25Å; L185-T187 VanDerWaalsContact C-N 3.31Å; L185-T187 PolarHBondContact O-N 3.38Å; T187-R191 WeakPolarHBondContact O-CB 3.44Å; T187-R191 PolarHBondContact O-N 3.38Å; T187-R191 VanDerWaalsContact O-N 3.17Å
188	L	79.8	Confident	74.4	Confident	64 Å²	64	52 Å²	52	34%	0.335	28%	0.283	S	S	.	.	H	α-helix	trans	-59	-52.4	176.7	-177.6	66.4	0	0	0	110.8	G184 L185 S190 R191 I192	G184-L188 VanDerWaalsContact O-CB 3.28Å; G184-L188 WeakPolarHBondContact O-CB 3.19Å; G184-L188 PolarHBondContact O-N 3.32Å; L185-L188 WeakPolarHBondContact O-CB 3.03Å; L185-L188 PolarHBondContact O-N 2.97Å; L188-S190 PolarHBondContact O-N 3.46Å; L188-R191 WeakPolarHBondContact O-CB 3.43Å; L188-R191 PolarHBondContact O-N 2.9Å; L188-I192 HydrophobicContact CD1-CD1 3.83Å; L188-I192 HydrophobicContact CD1-CG1 4.41Å; L188-I192 HydrophobicContact CD1-CG2 3.95Å; L188-I192 HydrophobicContact CD2-CD1 4.18Å; L188-I192 HydrophobicContact CG-CD1 3.68Å; L188-I192 HydrophobicContact CG-CG1 4.25Å; L188-I192 WeakPolarHBondContact O-CG1 3.32Å; L188-I192 PolarHBondContact O-N 2.84Å
189	F	74.9	Confident	73.8	Confident	13 Å²	13	49.3 Å²	49.3	6%	0.057	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-45.1	179.9	-85	-74.2	0	0	0	112.6	F112 L116 L185 S186 R191 I192 N193 P279 I280 P283	F112-F189 HydrophobicContact CD1-CE2 4.35Å; F112-F189 AromaticContact CE1-CD2 3.49Å; F112-F189 HydrophobicContact CE1-CD2 3.49Å; F112-F189 VanDerWaalsContact CE1-CD2 3.49Å; F112-F189 AromaticContact CE1-CE2 3.39Å; F112-F189 HydrophobicContact CE1-CE2 3.39Å; F112-F189 HydrophobicContact CE1-CZ 4.35Å; F112-F189 AromaticContact CZ-CD2 3.6Å; F112-F189 HydrophobicContact CZ-CD2 3.6Å; F112-F189 AromaticContact CZ-CE2 3.95Å; F112-F189 HydrophobicContact CZ-CE2 3.95Å; L116-F189 HydrophobicContact CD1-CD2 4.39Å; L116-F189 HydrophobicContact CD1-CE2 4.37Å; L116-F189 HydrophobicContact CD1-CZ 4.49Å; L185-F189 HydrophobicContact CB-CD2 4.48Å; L185-F189 HydrophobicContact CD2-CE2 4.47Å; L185-F189 WeakPolarHBondContact O-CD2 3.33Å; L185-F189 PolarHBondContact O-N 3.13Å; S186-F189 PolarHBondContact O-N 3.42Å; F189-R191 PolarHBondContact O-N 3.36Å; F189-I192 PolarHBondContact O-N 3.48Å; F189-N193 HydrophobicContact CD1-CB 3.75Å; F189-N193 VanDerWaalsContact O-CB 3.23Å; F189-N193 WeakPolarHBondContact O-CB 3.13Å; F189-N193 PolarHBondContact O-N 3.2Å; F189-P279 HydrophobicContact CD1-CB 4.44Å; F189-P279 HydrophobicContact CE1-CB 3.72Å; F189-P279 VanDerWaalsContact CE1-O 3.25Å; F189-P279 WeakPolarHBondContact CE1-O 3.46Å; F189-P279 HydrophobicContact CZ-CB 4.2Å; F189-P279 WeakPolarHBondContact CZ-O 3.1Å; F189-I280 HydrophobicContact CE2-CG1 4.17Å; F189-I280 HydrophobicContact CZ-CG1 4.02Å; F189-P283 HydrophobicContact CE1-CB 4.34Å
190	S	75.7	Confident	73	Confident	63 Å²	63	46.5 Å²	46.5	44%	0.441	26%	0.26	S	S	.	.	H	α-helix	trans	-58.6	-28.3	175.2	-66.3	0	0	0	0	112.9	S186 L188	S186-S190 PolarHBondContact O-N 2.68Å; S186-S190 PolarHBondContact O-OG 3.16Å; L188-S190 PolarHBondContact O-N 3.46Å
191	R	79.2	Confident	72.3	Confident	197 Å²	197	41.6 Å²	41.6	74%	0.743	24%	0.238	S	C	*	.	H	α-helix	trans	-87.2	-43	179.9	-170	178.7	71.6	-172.8	1.9	113.5	T187 L188 F189	T187-R191 WeakPolarHBondContact O-CB 3.44Å; T187-R191 PolarHBondContact O-N 3.38Å; T187-R191 VanDerWaalsContact O-N 3.17Å; L188-R191 WeakPolarHBondContact O-CB 3.43Å; L188-R191 PolarHBondContact O-N 2.9Å; F189-R191 PolarHBondContact O-N 3.36Å
192	I	77.4	Confident	71.5	Confident	50 Å²	50	43.7 Å²	43.7	26%	0.256	25%	0.248	S	C	.	.	H	α-helix	trans	-105.1	-24.6	-167.7	74.8	176.5	0	0	0	114.1	L188 F189 L194 P283	L188-I192 HydrophobicContact CD1-CD1 3.83Å; L188-I192 HydrophobicContact CD1-CG1 4.41Å; L188-I192 HydrophobicContact CD1-CG2 3.95Å; L188-I192 HydrophobicContact CD2-CD1 4.18Å; L188-I192 HydrophobicContact CG-CD1 3.68Å; L188-I192 HydrophobicContact CG-CG1 4.25Å; L188-I192 WeakPolarHBondContact O-CG1 3.32Å; L188-I192 PolarHBondContact O-N 2.84Å; F189-I192 PolarHBondContact O-N 3.48Å; I192-L194 PolarHBondContact O-N 3.19Å; I192-P283 HydrophobicContact CD1-CB 3.87Å
193	N	74.2	Confident	70.6	Confident	10 Å²	10	46.5 Å²	46.5	5%	0.053	27%	0.271	C	S	.	.			trans	-91.6	106.1	-174.1	-171.5	-47.6	0	0	0	109.5	F189 F195 A196 G197 P283	F189-N193 HydrophobicContact CD1-CB 3.75Å; F189-N193 VanDerWaalsContact O-CB 3.23Å; F189-N193 WeakPolarHBondContact O-CB 3.13Å; F189-N193 PolarHBondContact O-N 3.2Å; N193-F195 PolarHBondContact O-N 3.22Å; N193-F195 WeakPolarHBondContact OD1-CA 3.31Å; N193-F195 WeakPolarHBondContact OD1-CB 3.47Å; N193-F195 WeakPolarHBondContact OD1-CD2 3.49Å; N193-F195 PolarHBondContact OD1-N 3.43Å; N193-A196 HydrophobicContact CB-CB 4.18Å; N193-A196 WeakPolarHBondContact O-CB 3.44Å; N193-A196 PolarHBondContact O-N 3.29Å; N193-A196 VanDerWaalsContact O-N 3.07Å; N193-A196 PolarHBondContact OD1-N 3.16Å; N193-G197 PolarHBondContact O-N 3.07Å; N193-P283 WeakPolarHBondContact CB-O 3.47Å
194	L	72.1	Confident	69.9	Low	69 Å²	69	47 Å²	47	36%	0.361	27%	0.272	S	S	.	.	H	α-helix	trans	-65.4	-24.2	-178.3	-71.1	169.2	0	0	0	112.6	I192 G197 A198 E285	I192-L194 PolarHBondContact O-N 3.19Å; L194-G197 PolarHBondContact O-N 3.41Å; L194-A198 WeakPolarHBondContact O-CB 3.44Å; L194-A198 PolarHBondContact O-N 2.72Å; L194-E285 HydrophobicContact CB-CG 3.69Å; L194-E285 WeakPolarHBondContact CB-OE1 3.4Å; L194-E285 HydrophobicContact CD1-CG 3.6Å; L194-E285 WeakPolarHBondContact CD1-OE1 3.25Å; L194-E285 HydrophobicContact CG-CG 4.09Å
195	F	69.7	Low	69.1	Low	23 Å²	23	45.8 Å²	45.8	10%	0.101	26%	0.256	C	S	.	.	H	α-helix	trans	-66.6	-40.8	171.3	-57	-75.4	0	0	0	111.8	N193 G197 A198 Y199 V272 P275 L276	N193-F195 PolarHBondContact O-N 3.22Å; N193-F195 WeakPolarHBondContact OD1-CA 3.31Å; N193-F195 WeakPolarHBondContact OD1-CB 3.47Å; N193-F195 WeakPolarHBondContact OD1-CD2 3.49Å; N193-F195 PolarHBondContact OD1-N 3.43Å; F195-G197 PolarHBondContact O-N 2.99Å; F195-A198 PolarHBondContact O-N 3.33Å; F195-Y199 HydrophobicContact CB-CD2 4.25Å; F195-Y199 HydrophobicContact CD1-CD2 4.22Å; F195-Y199 AromaticContact CD1-CE2 3.82Å; F195-Y199 HydrophobicContact CD1-CE2 3.82Å; F195-Y199 WeakPolarHBondContact O-CD2 3.15Å; F195-Y199 PolarHBondContact O-N 3.25Å; F195-V272 HydrophobicContact CE1-CB 4.01Å; F195-V272 HydrophobicContact CE1-CG1 3.87Å; F195-V272 HydrophobicContact CZ-CB 4.28Å; F195-V272 HydrophobicContact CZ-CG1 4.14Å; F195-P275 HydrophobicContact CE2-CB 3.9Å; F195-P275 HydrophobicContact CZ-CB 4.44Å; F195-L276 HydrophobicContact CB-CD2 3.78Å; F195-L276 HydrophobicContact CD1-CD2 4.05Å; F195-L276 HydrophobicContact CD2-CD2 4.5Å; F195-L276 HydrophobicContact CG-CD2 3.88Å
196	A	67.8	Low	68.2	Low	36 Å²	36	46.9 Å²	46.9	30%	0.298	26%	0.26	S	S	.	.	H	α-helix	trans	-61.5	-33.9	176.2	0	0	0	0	0	111.9	N193	N193-A196 HydrophobicContact CB-CB 4.18Å; N193-A196 WeakPolarHBondContact O-CB 3.44Å; N193-A196 PolarHBondContact O-N 3.29Å; N193-A196 VanDerWaalsContact O-N 3.07Å; N193-A196 PolarHBondContact OD1-N 3.16Å
197	G	67.3	Low	67.7	Low	32 Å²	32	50 Å²	50	33%	0.33	27%	0.272	S	S	.	.	H	α-helix	trans	-76.4	-39.8	173.1	0	0	0	0	0	113.9	N193 L194 F195 R259	N193-G197 PolarHBondContact O-N 3.07Å; L194-G197 PolarHBondContact O-N 3.41Å; F195-G197 PolarHBondContact O-N 2.99Å; G197-R259 WeakPolarHBondContact O-CD 3.3Å; G197-R259 PolarHBondContact O-NE 3.33Å
198	A	64.1	Low	67.2	Low	47 Å²	47	49.4 Å²	49.4	39%	0.388	27%	0.265	S	S	.	.	H	α-helix	trans	-81.8	-28.4	-171.7	0	0	0	0	0	114.5	L194 F195 R259	L194-A198 WeakPolarHBondContact O-CB 3.44Å; L194-A198 PolarHBondContact O-N 2.72Å; F195-A198 PolarHBondContact O-N 3.33Å; A198-R259 PolarHBondContact O-N 2.93Å
199	Y	61.6	Low	66.6	Low	24 Å²	24	50.9 Å²	50.9	9%	0.094	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-110.7	149.1	-174.2	-64.7	-89.7	0	0	0	111.6	F195 M256 H257 R258 R259	F195-Y199 HydrophobicContact CB-CD2 4.25Å; F195-Y199 HydrophobicContact CD1-CD2 4.22Å; F195-Y199 AromaticContact CD1-CE2 3.82Å; F195-Y199 HydrophobicContact CD1-CE2 3.82Å; F195-Y199 WeakPolarHBondContact O-CD2 3.15Å; F195-Y199 PolarHBondContact O-N 3.25Å; Y199-M256 HydrophobicContact CD1-CB 3.74Å; Y199-M256 HydrophobicContact CD1-CG 4.49Å; Y199-M256 HydrophobicContact CD1-SD 4.36Å; Y199-M256 HydrophobicContact CE1-CB 3.56Å; Y199-M256 HydrophobicContact CE1-CE 4.11Å; Y199-M256 HydrophobicContact CE1-CG 4.21Å; Y199-M256 HydrophobicContact CE1-SD 3.7Å; Y199-H257 WeakPolarHBondContact CA-O 3.48Å; Y199-R258 HydrophobicContact CD1-CG 3.8Å; Y199-R258 HydrophobicContact CE1-CG 3.43Å; Y199-R258 VanDerWaalsContact CE1-CG 3.43Å; Y199-R259 PolarHBondContact O-NE 3.28Å; Y199-R259 PolarHBondContact O-NH2 3.28Å; Y199-R259 VanDerWaalsContact O-NH2 3.15Å
200	K	58.4	Low	66.3	Low	34 Å²	34	54.3 Å²	54.3	15%	0.148	29%	0.286	C	S	.	.			trans	-73	138.9	172	-63.6	-172.5	-168.1	-170.1	0	108.5	E204 V205 E208 H257 R258 R259	K200-E204 VanDerWaalsContact CA-OE2 3.27Å; K200-E204 WeakPolarHBondContact CA-OE2 3.1Å; K200-E204 HydrophobicContact CB-CB 4.26Å; K200-V205 HydrophobicContact CB-CG2 3.85Å; K200-V205 HydrophobicContact CD-CG2 4.3Å; K200-E208 IonicContact NZ-OE1 3Å; K200-E208 PolarHBondContact NZ-OE1 3.22Å; K200-E208 IonicContact NZ-OE2 3.91Å; K200-E208 PolarHBondContact NZ-OE2 2.94Å; K200-H257 HydrophobicContact CB-CB 4.27Å; K200-H257 PolarHBondContact N-O 3.3Å; K200-R258 WeakPolarHBondContact CE-O 3.49Å; K200-R259 HydrophobicContact CG-CG 3.96Å
201	M	64	Low	66.3	Low	50 Å²	50	56 Å²	56	25%	0.246	29%	0.287	C	S	.	.			trans	-70.9	150.2	164.3	-62.9	-62.2	-74.5	0	0	108.1	A203 E204 V205	M201-A203 PolarHBondContact O-N 2.91Å; M201-A203 VanDerWaalsContact O-N 3.14Å; M201-E204 PolarHBondContact N-OE2 3.38Å; M201-E204 WeakPolarHBondContact O-CB 3.3Å; M201-E204 PolarHBondContact O-N 3.2Å; M201-V205 PolarHBondContact O-N 2.96Å
202	M	58.9	Low	66	Low	53 Å²	53	50.2 Å²	50.2	26%	0.261	27%	0.267	S	S	.	.	H	α-helix	trans	-57	-35.3	-175.7	-170.3	62.2	72.1	0	0	112.6	G119 L153 E204 V205 E206	G119-M202 WeakPolarHBondContact O-CB 3.48Å; G119-M202 PolarHBondContact O-N 3.48Å; L153-M202 HydrophobicContact CD1-CB 3.5Å; L153-M202 HydrophobicContact CD1-CG 3.39Å; M202-E204 PolarHBondContact O-N 3.23Å; M202-V205 WeakPolarHBondContact O-CB 3.04Å; M202-V205 PolarHBondContact O-N 3.41Å; M202-V205 HydrophobicContact SD-CB 4.29Å; M202-E206 PolarHBondContact O-N 3.11Å
203	A	56.8	Low	65.4	Low	59 Å²	59	48.3 Å²	48.3	49%	0.488	26%	0.259	S	S	.	.	H	α-helix	trans	-61	-25.1	174.3	0	0	0	0	0	114.4	M201 R207	M201-A203 PolarHBondContact O-N 2.91Å; M201-A203 VanDerWaalsContact O-N 3.14Å; A203-R207 WeakPolarHBondContact O-CB 3.45Å; A203-R207 PolarHBondContact O-N 3.16Å
204	E	60.1	Low	65.4	Low	29 Å²	29	53 Å²	53	14%	0.136	29%	0.289	C	S	.	.	H	α-helix	trans	-79.4	-34.1	173.4	-61.3	176.2	127.4	0	0	111.9	K200 M201 M202 E208 R259	K200-E204 VanDerWaalsContact CA-OE2 3.27Å; K200-E204 WeakPolarHBondContact CA-OE2 3.1Å; K200-E204 HydrophobicContact CB-CB 4.26Å; M201-E204 PolarHBondContact N-OE2 3.38Å; M201-E204 WeakPolarHBondContact O-CB 3.3Å; M201-E204 PolarHBondContact O-N 3.2Å; M202-E204 PolarHBondContact O-N 3.23Å; E204-E208 WeakPolarHBondContact O-CG 3.31Å; E204-E208 PolarHBondContact O-N 3.08Å; E204-R259 VanDerWaalsContact CD-NH1 3.26Å; E204-R259 IonicContact OE1-CZ 3.22Å; E204-R259 IonicContact OE1-NH1 2.67Å; E204-R259 PolarHBondContact OE1-NH1 3.32Å; E204-R259 IonicContact OE1-NH2 3.88Å; E204-R259 IonicContact OE2-CZ 3.89Å; E204-R259 VanDerWaalsContact OE2-CZ 3.24Å; E204-R259 IonicContact OE2-NH1 3.5Å; E204-R259 PolarHBondContact OE2-NH1 2.91Å; E204-R259 IonicContact OE2-NH2 3.62Å; E204-R259 PolarHBondContact OE2-NH2 2.92Å
205	V	60.6	Low	65.2	Low	15 Å²	15	57.6 Å²	57.6	9%	0.091	31%	0.308	C	S	.	.	H	α-helix	trans	-68.2	-46.6	175.7	-179	0	0	0	0	109.8	K200 M201 M202 R207 E208 E209 H257	K200-V205 HydrophobicContact CB-CG2 3.85Å; K200-V205 HydrophobicContact CD-CG2 4.3Å; M201-V205 PolarHBondContact O-N 2.96Å; M202-V205 WeakPolarHBondContact O-CB 3.04Å; M202-V205 PolarHBondContact O-N 3.41Å; M202-V205 HydrophobicContact SD-CB 4.29Å; V205-R207 PolarHBondContact O-N 2.76Å; V205-E208 PolarHBondContact O-N 2.91Å; V205-E209 WeakPolarHBondContact O-CG 3.37Å; V205-E209 PolarHBondContact O-N 2.79Å; V205-H257 HydrophobicContact CG2-CB 3.67Å
206	E	57.8	Low	65.2	Low	50 Å²	50	65.3 Å²	65.3	23%	0.234	34%	0.336	C	S	.	.	H	α-helix	trans	-56.2	-50.4	175.7	-178.4	174.8	-141.3	0	0	111.5	H154 M202 E208 E209 E210	H154-E206 IonicContact CE1-OE1 3.78Å; H154-E206 PolarHBondContact CE1-OE1 3.06Å; H154-E206 VanDerWaalsContact CE1-OE1 3.23Å; H154-E206 IonicContact ND1-OE1 3.79Å; H154-E206 IonicContact NE2-OE1 2.82Å; M202-E206 PolarHBondContact O-N 3.11Å; E206-E208 VanDerWaalsContact C-N 3.31Å; E206-E208 PolarHBondContact O-N 2.81Å; E206-E209 CarbonylContact O-C 3.59Å; E206-E209 WeakPolarHBondContact O-CA 3.47Å; E206-E209 PolarHBondContact O-N 3.45Å; E206-E210 WeakPolarHBondContact O-CG 3.3Å; E206-E210 PolarHBondContact O-N 2.97Å
207	R	63.6	Low	64.8	Low	68 Å²	68	67.2 Å²	67.2	26%	0.257	36%	0.359	S	S	.	.	H	α-helix	trans	-56.9	-43.5	176.8	-173.9	-172	65.4	-104.1	-10.3	112.5	A203 V205 E209 E210 E211	A203-R207 WeakPolarHBondContact O-CB 3.45Å; A203-R207 PolarHBondContact O-N 3.16Å; V205-R207 PolarHBondContact O-N 2.76Å; R207-E209 VanDerWaalsContact C-N 3.26Å; R207-E209 PolarHBondContact O-N 2.93Å; R207-E210 PolarHBondContact O-N 3.03Å; R207-E211 WeakPolarHBondContact CD-OE1 3.3Å; R207-E211 HydrophobicContact CG-CG 4.33Å; R207-E211 WeakPolarHBondContact CG-OE1 3.1Å; R207-E211 IonicContact NE-OE1 3.51Å; R207-E211 WeakPolarHBondContact O-CB 3.25Å; R207-E211 VanDerWaalsContact O-CG 3.31Å; R207-E211 WeakPolarHBondContact O-CG 3.21Å; R207-E211 PolarHBondContact O-N 3.15Å
208	E	67.1	Low	64	Low	52 Å²	52	67.5 Å²	67.5	24%	0.243	36%	0.362	C	S	.	.	H	α-helix	trans	-64.8	-32.2	177.6	-76.1	173.5	-169.4	0	0	112.2	K200 E204 V205 E206 K212	K200-E208 IonicContact NZ-OE1 3Å; K200-E208 PolarHBondContact NZ-OE1 3.22Å; K200-E208 IonicContact NZ-OE2 3.91Å; K200-E208 PolarHBondContact NZ-OE2 2.94Å; E204-E208 WeakPolarHBondContact O-CG 3.31Å; E204-E208 PolarHBondContact O-N 3.08Å; V205-E208 PolarHBondContact O-N 2.91Å; E206-E208 VanDerWaalsContact C-N 3.31Å; E206-E208 PolarHBondContact O-N 2.81Å; E208-K212 WeakPolarHBondContact O-CB 3.47Å; E208-K212 WeakPolarHBondContact O-CD 3.28Å; E208-K212 WeakPolarHBondContact O-CG 3.4Å; E208-K212 PolarHBondContact O-N 2.91Å
209	E	67.4	Low	63.2	Low	95 Å²	95	73.4 Å²	73.4	44%	0.444	38%	0.382	S	S	.	.	H	α-helix	trans	-76.5	-36	174.5	-66.6	-57.2	127.7	0	0	112.1	V205 E206 R207 K212 A213	V205-E209 WeakPolarHBondContact O-CG 3.37Å; V205-E209 PolarHBondContact O-N 2.79Å; E206-E209 CarbonylContact O-C 3.59Å; E206-E209 WeakPolarHBondContact O-CA 3.47Å; E206-E209 PolarHBondContact O-N 3.45Å; R207-E209 VanDerWaalsContact C-N 3.26Å; R207-E209 PolarHBondContact O-N 2.93Å; E209-K212 IonicContact OE1-NZ 2.97Å; E209-K212 PolarHBondContact OE1-NZ 2.86Å; E209-A213 VanDerWaalsContact O-CB 3.24Å; E209-A213 WeakPolarHBondContact O-CB 3.35Å; E209-A213 PolarHBondContact O-N 3.03Å
210	E	68.9	Low	62.3	Low	85 Å²	85	76.4 Å²	76.4	40%	0.397	40%	0.404	S	S	.	.	H	α-helix	trans	-64.2	-44.6	171.6	-71.5	177.2	167.4	0	0	111.8	H154 E206 R207 A213 T214	H154-E210 IonicContact CE1-OE1 2.63Å; E206-E210 WeakPolarHBondContact O-CG 3.3Å; E206-E210 PolarHBondContact O-N 2.97Å; R207-E210 PolarHBondContact O-N 3.03Å; E210-A213 PolarHBondContact O-N 3.21Å; E210-T214 WeakPolarHBondContact O-CB 3.09Å; E210-T214 PolarHBondContact O-N 3.37Å; E210-T214 PolarHBondContact O-OG1 3.29Å
211	E	74.6	Confident	61.6	Low	97 Å²	97	84.5 Å²	84.5	45%	0.453	44%	0.435	S	S	.	.	H	α-helix	trans	-61.5	-49	175.3	-76.5	170.2	-171.6	0	0	110.4	R207 A213 T214 E215	R207-E211 WeakPolarHBondContact CD-OE1 3.3Å; R207-E211 HydrophobicContact CG-CG 4.33Å; R207-E211 WeakPolarHBondContact CG-OE1 3.1Å; R207-E211 IonicContact NE-OE1 3.51Å; R207-E211 WeakPolarHBondContact O-CB 3.25Å; R207-E211 VanDerWaalsContact O-CG 3.31Å; R207-E211 WeakPolarHBondContact O-CG 3.21Å; R207-E211 PolarHBondContact O-N 3.15Å; E211-A213 VanDerWaalsContact C-N 3.32Å; E211-A213 PolarHBondContact O-N 3.38Å; E211-T214 WeakPolarHBondContact O-CB 3.41Å; E211-T214 PolarHBondContact O-N 3.06Å; E211-E215 WeakPolarHBondContact O-CG 3.35Å; E211-E215 PolarHBondContact O-N 3.2Å
212	K	73.9	Confident	60.4	Low	76 Å²	76	85.4 Å²	85.4	33%	0.33	45%	0.451	S	S	.	.	H	α-helix	trans	-62.7	-35.5	175.7	-74.3	171.2	-157.1	165.2	0	113.2	E208 E209 R216	E208-K212 WeakPolarHBondContact O-CB 3.47Å; E208-K212 WeakPolarHBondContact O-CD 3.28Å; E208-K212 WeakPolarHBondContact O-CG 3.4Å; E208-K212 PolarHBondContact O-N 2.91Å; E209-K212 IonicContact OE1-NZ 2.97Å; E209-K212 PolarHBondContact OE1-NZ 2.86Å; K212-R216 WeakPolarHBondContact O-CB 3.15Å; K212-R216 VanDerWaalsContact O-CG 3.23Å; K212-R216 WeakPolarHBondContact O-CG 3.43Å; K212-R216 PolarHBondContact O-N 3.18Å; K212-R216 VanDerWaalsContact O-N 3.08Å
213	A	64.5	Low	59.5	Low	11 Å²	11	93.2 Å²	93.2	9%	0.091	48%	0.477	C	S	.	.	H	α-helix	trans	-65.1	-46.2	176.1	0	0	0	0	0	110.3	E209 E210 E211 E215 R216 G217 G218 P220	E209-A213 VanDerWaalsContact O-CB 3.24Å; E209-A213 WeakPolarHBondContact O-CB 3.35Å; E209-A213 PolarHBondContact O-N 3.03Å; E210-A213 PolarHBondContact O-N 3.21Å; E211-A213 VanDerWaalsContact C-N 3.32Å; E211-A213 PolarHBondContact O-N 3.38Å; A213-E215 PolarHBondContact O-N 2.81Å; A213-R216 CarbonylContact O-C 3.18Å; A213-R216 PolarHBondContact O-N 2.9Å; A213-R216 VanDerWaalsContact O-N 3.13Å; A213-G217 PolarHBondContact O-N 3.39Å; A213-G218 CarbonylContact C-O 3.4Å; A213-G218 PolarHBondContact O-N 3.02Å; A213-P220 HydrophobicContact CB-CB 3.83Å; A213-P220 HydrophobicContact CB-CG 4.31Å
214	T	73.5	Confident	58.8	Low	109 Å²	109	96.7 Å²	96.7	67%	0.669	49%	0.493	S	S	*	.	H	α-helix	trans	-60.2	-44.6	176.2	-50.3	0	0	0	0	111.5	E210 E211 R216 G217	E210-T214 WeakPolarHBondContact O-CB 3.09Å; E210-T214 PolarHBondContact O-N 3.37Å; E210-T214 PolarHBondContact O-OG1 3.29Å; E211-T214 WeakPolarHBondContact O-CB 3.41Å; E211-T214 PolarHBondContact O-N 3.06Å; T214-R216 VanDerWaalsContact C-N 3.28Å; T214-R216 PolarHBondContact O-N 3.03Å; T214-G217 PolarHBondContact O-N 3.41Å
215	E	69.6	Low	57.8	Low	164 Å²	164	100 Å²	100	77%	0.766	51%	0.511	S	S	*	.	H	α-helix	trans	-62	-32.5	175.6	-74.6	176.9	176.1	0	0	113.2	E211 A213 G217	E211-E215 WeakPolarHBondContact O-CG 3.35Å; E211-E215 PolarHBondContact O-N 3.2Å; A213-E215 PolarHBondContact O-N 2.81Å; E215-G217 PolarHBondContact O-N 3.37Å
216	R	67.9	Low	57.2	Low	186 Å²	186	102.9 Å²	102.9	70%	0.702	54%	0.537	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	3.1	175.4	-70.2	172.1	-177.1	-175.5	1	113.3	K212 A213 T214 G218	K212-R216 WeakPolarHBondContact O-CB 3.15Å; K212-R216 VanDerWaalsContact O-CG 3.23Å; K212-R216 WeakPolarHBondContact O-CG 3.43Å; K212-R216 PolarHBondContact O-N 3.18Å; K212-R216 VanDerWaalsContact O-N 3.08Å; A213-R216 CarbonylContact O-C 3.18Å; A213-R216 PolarHBondContact O-N 2.9Å; A213-R216 VanDerWaalsContact O-N 3.13Å; T214-R216 VanDerWaalsContact C-N 3.28Å; T214-R216 PolarHBondContact O-N 3.03Å; R216-G218 VanDerWaalsContact C-N 3.26Å; R216-G218 PolarHBondContact O-N 2.91Å
217	G	59.9	Low	56.7	Low	75 Å²	75	111.5 Å²	111.5	77%	0.773	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	68	22.2	179.3	0	0	0	0	0	114.1	A213 T214 E215	A213-G217 PolarHBondContact O-N 3.39Å; T214-G217 PolarHBondContact O-N 3.41Å; E215-G217 PolarHBondContact O-N 3.37Å
218	G	51.9	Low	55.8	Low	38 Å²	38	111.2 Å²	111.2	39%	0.392	58%	0.58	S	S	.	*	S	Bend	trans	-135.7	152.5	-176.6	0	0	0	0	0	112.8	A213 R216	A213-G218 CarbonylContact C-O 3.4Å; A213-G218 PolarHBondContact O-N 3.02Å; R216-G218 VanDerWaalsContact C-N 3.26Å; R216-G218 PolarHBondContact O-N 2.91Å
219	Q	45.8	Very low	54.7	Low	171 Å²	171	117.2 Å²	117.2	80%	0.799	60%	0.601	S	S	*	*			trans	-62.2	145.5	161.6	-82.3	171.4	-24.5	0	0	109.3	Y221	Q219-Y221 PolarHBondContact O-N 3.08Å
220	P	43.9	Very low	53.7	Low	88 Å²	88	118.4 Å²	118.4	57%	0.571	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	106.1	-179	19.7	-29.4	0	0	0	109.8	A213	A213-P220 HydrophobicContact CB-CB 3.83Å; A213-P220 HydrophobicContact CB-CG 4.31Å
221	Y	43.6	Very low	52.3	Low	203 Å²	203	119.9 Å²	119.9	80%	0.796	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	45.3	78.4	175.3	-88.4	-97.6	0	0	0	115.9	Q219	Q219-Y221 PolarHBondContact O-N 3.08Å
222	A	38.8	Very low	50.4	Low	70 Å²	70	122.1 Å²	122.1	58%	0.579	63%	0.629	S	S	*	*			trans	-121.3	63.8	152.1	0	0	0	0	0	109.5	T224	A222-T224 VanDerWaalsContact C-N 3.31Å; A222-T224 PolarHBondContact O-N 2.85Å
223	R	40.1	Very low	48.6	Very low	216 Å²	216	127.4 Å²	127.4	82%	0.815	66%	0.658	S	S	*	*			trans	-72.9	96.8	162.2	-98	-178.9	81.9	178.8	3.6	106.6	D225	R223-D225 VanDerWaalsContact C-N 3.34Å; R223-D225 PolarHBondContact O-N 3.4Å
224	T	40.5	Very low	47	Very low	132 Å²	132	129.9 Å²	129.9	81%	0.81	67%	0.674	S	S	*	*			trans	-67.7	86.5	178.1	49.6	0	0	0	0	110.4	A222	A222-T224 VanDerWaalsContact C-N 3.31Å; A222-T224 PolarHBondContact O-N 2.85Å
225	D	40.3	Very low	45.3	Very low	98 Å²	98	132.8 Å²	132.8	52%	0.524	69%	0.686	S	S	.	*			trans	-97.5	110.8	137.6	-170.1	-15	0	0	0	106.3	R223 R227 A228 Y229	R223-D225 VanDerWaalsContact C-N 3.34Å; R223-D225 PolarHBondContact O-N 3.4Å; D225-R227 PolarHBondContact O-N 3.17Å; D225-R227 PolarHBondContact OD1-N 3.48Å; D225-A228 PolarHBondContact O-N 3.39Å; D225-A228 VanDerWaalsContact O-N 3.11Å; D225-Y229 PolarHBondContact O-N 3Å
226	A	47.7	Very low	43.2	Very low	76 Å²	76	131 Å²	131	63%	0.628	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.9	-6.3	-171.6	0	0	0	0	0	113.8	N230	A226-N230 PolarHBondContact O-ND2 3.16Å; A226-N230 PolarHBondContact O-OD1 2.98Å; A226-N230 VanDerWaalsContact O-OD1 3.04Å
227	R	47.7	Very low	41.5	Very low	232 Å²	232	128.6 Å²	128.6	88%	0.875	68%	0.678	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.5	-19.1	177	-70.3	-174.5	173.4	-179.5	-1.6	115	D225	D225-R227 PolarHBondContact O-N 3.17Å; D225-R227 PolarHBondContact OD1-N 3.48Å
228	A	44.5	Very low	40	Very low	62 Å²	62	128 Å²	128	51%	0.512	67%	0.667	S	S	.	*	T	Hydrogen-bonded Turn	trans	-114.1	-24.7	-170.8	0	0	0	0	0	114.5	D225	D225-A228 PolarHBondContact O-N 3.39Å; D225-A228 VanDerWaalsContact O-N 3.11Å
229	Y	44	Very low	39.2	Very low	177 Å²	177	130.3 Å²	130.3	69%	0.694	67%	0.673	S	S	*	*			trans	-129.7	52.9	-171.5	-59	-77.9	0	0	0	112.3	D225	D225-Y229 PolarHBondContact O-N 3Å
230	N	45.5	Very low	38.7	Very low	120 Å²	120	128.6 Å²	128.6	64%	0.642	67%	0.668	S	S	*	*	P	Polyproline II helix	trans	-76.3	133.7	179.1	-70.7	-33.5	0	0	0	111.4	A226	A226-N230 PolarHBondContact O-ND2 3.16Å; A226-N230 PolarHBondContact O-OD1 2.98Å; A226-N230 VanDerWaalsContact O-OD1 3.04Å
231	V	41.2	Very low	38.3	Very low	116 Å²	116	130.6 Å²	130.6	70%	0.703	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-63.5	136.2	164.9	178.9	0	0	0	0	107.6	M233	V231-M233 WeakPolarHBondContact O-CG 3.25Å; V231-M233 PolarHBondContact O-N 3.37Å; V231-M233 VanDerWaalsContact O-N 3.1Å
232	R	33.1	Very low	37.9	Very low	144 Å²	144	127.1 Å²	127.1	54%	0.543	67%	0.665	S	S	.	*	P	Polyproline II helix	trans	-54.2	116.4	177.9	-171.1	-163.3	-127.5	-174.3	6.2	110.1	S234 E236 D237	R232-S234 WeakPolarHBondContact CD-O 3.49Å; R232-S234 VanDerWaalsContact CG-O 3.27Å; R232-S234 WeakPolarHBondContact CG-O 3.22Å; R232-E236 PolarHBondContact NE-O 3.2Å; R232-E236 VanDerWaalsContact NE-O 3.16Å; R232-E236 PolarHBondContact NH2-O 3.31Å; R232-D237 IonicContact NH2-OD1 3.91Å; R232-D237 PolarHBondContact NH2-OD1 3.09Å
233	M	36.4	Very low	37.8	Very low	188 Å²	188	134.1 Å²	134.1	93%	0.926	68%	0.676	S	S	*	*			trans	-103.7	-16	176.9	-68.3	-91.7	-72.6	0	0	112.6	V231	V231-M233 WeakPolarHBondContact O-CG 3.25Å; V231-M233 PolarHBondContact O-N 3.37Å; V231-M233 VanDerWaalsContact O-N 3.1Å
234	S	31.7	Very low	37.9	Very low	63 Å²	63	133 Å²	133	44%	0.441	68%	0.68	S	S	.	*	S	Bend	trans	-104.3	153.3	179.3	63.2	0	0	0	0	112.1	R232 E236	R232-S234 WeakPolarHBondContact CD-O 3.49Å; R232-S234 VanDerWaalsContact CG-O 3.27Å; R232-S234 WeakPolarHBondContact CG-O 3.22Å; S234-E236 PolarHBondContact O-N 3.43Å
235	N	36.3	Very low	37.7	Very low	170 Å²	170	133 Å²	133	91%	0.909	68%	0.675	S	S	*	*	S	Bend	trans	-79.1	10.9	176.7	-70.4	-21.1	0	0	0	113.4
236	E	27.2	Very low	37.8	Very low	125 Å²	125	136.7 Å²	136.7	58%	0.584	70%	0.695	S	S	*	*			trans	-88.8	141.6	-175.4	-68.5	177.4	169	0	0	112.8	R232 S234	R232-E236 PolarHBondContact NE-O 3.2Å; R232-E236 VanDerWaalsContact NE-O 3.16Å; R232-E236 PolarHBondContact NH2-O 3.31Å; S234-E236 PolarHBondContact O-N 3.43Å
237	D	31.7	Very low	37.3	Very low	136 Å²	136	139.8 Å²	139.8	73%	0.727	70%	0.701	S	S	*	*			trans	-73.6	122.4	-176.5	-75	-32.5	0	0	0	113.7	R232	R232-D237 IonicContact NH2-OD1 3.91Å; R232-D237 PolarHBondContact NH2-OD1 3.09Å
238	A	28.7	Very low	37	Very low	64 Å²	64	133.5 Å²	133.5	53%	0.529	68%	0.684	S	S	.	*			trans	-125.6	136.4	-178.8	0	0	0	0	0	110.9
239	V	33.9	Very low	36.7	Very low	86 Å²	86	133.8 Å²	133.8	52%	0.521	68%	0.682	S	S	.	*			trans	-90.6	121.5	175.4	-174.9	0	0	0	0	109.1	Y241	V239-Y241 HydrophobicContact CB-CE2 3.9Å; V239-Y241 HydrophobicContact CG1-CD1 4.39Å; V239-Y241 HydrophobicContact CG1-CD2 4.24Å; V239-Y241 HydrophobicContact CG1-CE1 3.76Å; V239-Y241 HydrophobicContact CG1-CE2 3.59Å; V239-Y241 WeakPolarHBondContact CG1-OH 3.37Å
240	I	35	Very low	36.9	Very low	135 Å²	135	129.9 Å²	129.9	69%	0.692	69%	0.686	S	S	*	*			trans	-96.9	115	179.5	-56.6	174.2	0	0	0	108.9
241	Y	36.6	Very low	37.1	Very low	129 Å²	129	127.6 Å²	127.6	51%	0.506	68%	0.677	S	S	.	*			trans	-98.4	139.3	172.6	-56.9	-82	0	0	0	109.8	V239 I248	V239-Y241 HydrophobicContact CB-CE2 3.9Å; V239-Y241 HydrophobicContact CG1-CD1 4.39Å; V239-Y241 HydrophobicContact CG1-CD2 4.24Å; V239-Y241 HydrophobicContact CG1-CE1 3.76Å; V239-Y241 HydrophobicContact CG1-CE2 3.59Å; V239-Y241 WeakPolarHBondContact CG1-OH 3.37Å; Y241-I248 HydrophobicContact CE1-CG2 3.83Å; Y241-I248 HydrophobicContact CE2-CG1 4.42Å
242	V	34.9	Very low	37.9	Very low	131 Å²	131	124.8 Å²	124.8	79%	0.794	65%	0.653	S	S	*	*			trans	-115.7	97.7	176.2	-178.1	0	0	0	0	107.7
243	R	36.2	Very low	39.1	Very low	216 Å²	216	121.7 Å²	121.7	82%	0.815	65%	0.647	S	S	*	*			trans	-166	160.7	167.2	-108.7	165.1	-168.2	-103.4	-0.6	111.6
244	E	43.1	Very low	40.3	Very low	193 Å²	193	113.3 Å²	113.3	90%	0.902	61%	0.607	S	S	*	*	S	Bend	trans	-74.3	-25.5	-174.8	-70.4	177.7	160.8	0	0	113.7
245	D	36.7	Very low	41.7	Very low	132 Å²	132	112 Å²	112	71%	0.706	60%	0.599	S	S	*	*	S	Bend	trans	-117.2	132.6	176.7	-57.9	-48.4	0	0	0	108.4	D247	D245-D247 PolarHBondContact O-N 2.98Å
246	D	41.2	Very low	42.9	Very low	176 Å²	176	104.5 Å²	104.5	94%	0.941	56%	0.559	S	S	*	*			trans	-59	18.2	-174.8	-71.2	-45.8	0	0	0	115.9
247	D	37.7	Very low	44.5	Very low	140 Å²	140	101 Å²	101	75%	0.749	54%	0.543	S	S	*	.			trans	-83.8	120.4	-178.1	-156.3	9.8	0	0	0	111.8	D245 S249	D245-D247 PolarHBondContact O-N 2.98Å; D247-S249 PolarHBondContact O-N 3.11Å; D247-S249 VanDerWaalsContact O-N 3.09Å
248	I	40.7	Very low	46	Very low	101 Å²	101	98.9 Å²	98.9	52%	0.518	53%	0.525	S	S	.	.			trans	-75.2	101.3	-179.7	-59.4	171.7	0	0	0	108.1	Y241 A250	Y241-I248 HydrophobicContact CE1-CG2 3.83Å; Y241-I248 HydrophobicContact CE2-CG1 4.42Å; I248-A250 PolarHBondContact O-N 2.94Å
249	S	39.2	Very low	47.6	Very low	68 Å²	68	100.9 Å²	100.9	48%	0.476	52%	0.519	S	S	.	.			trans	-60.3	116.1	171.9	-173.6	0	0	0	0	109.9	D247 T251	D247-S249 PolarHBondContact O-N 3.11Å; D247-S249 VanDerWaalsContact O-N 3.09Å; S249-T251 PolarHBondContact O-N 3.04Å; S249-T251 PolarHBondContact OG-OG1 2.8Å; S249-T251 VanDerWaalsContact OG-OG1 3.06Å
250	A	48.4	Very low	49.2	Very low	94 Å²	94	102.1 Å²	102.1	78%	0.777	52%	0.522	S	S	*	.	S	Bend	trans	-61.5	-9.1	175.8	0	0	0	0	0	113.7	I248	I248-A250 PolarHBondContact O-N 2.94Å
251	T	50.1	Low	50.4	Low	73 Å²	73	98.4 Å²	98.4	45%	0.448	52%	0.517	S	S	.	.	S	Bend	trans	-101.7	126	-174.9	63	0	0	0	0	112.3	S249	S249-T251 PolarHBondContact O-N 3.04Å; S249-T251 PolarHBondContact OG-OG1 2.8Å; S249-T251 VanDerWaalsContact OG-OG1 3.06Å
252	R	56.1	Low	51.5	Low	57 Å²	57	96 Å²	96	22%	0.215	52%	0.516	C	S	.	.			trans	-73.4	127.3	176.6	-63	177.9	-168.9	169.6	4.8	109.7	V146 D268	V146-R252 VanDerWaalsContact CB-NH1 3.3Å; V146-R252 PolarHBondContact O-NE 3.46Å; V146-R252 PolarHBondContact O-NH1 3.44Å; V146-R252 PolarHBondContact O-NH2 3.4Å; R252-D268 HydrophobicContact CB-CB 4.15Å; R252-D268 PolarHBondContact O-N 3.08Å
253	N	59.7	Low	52.7	Low	78 Å²	78	98 Å²	98	42%	0.417	51%	0.509	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	137	177.5	-70.6	-46	0	0	0	110.9	S265 I266	N253-S265 WeakPolarHBondContact CB-OG 3.44Å; N253-I266 CarbonylContact C-O 3.41Å; N253-I266 VanDerWaalsContact CA-O 3.25Å; N253-I266 WeakPolarHBondContact CA-O 3.44Å
254	V	61.4	Low	53.8	Low	12 Å²	12	92.1 Å²	92.1	7%	0.073	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.8	172.4	-179.1	0	0	0	0	107.9	I121 S265 I266	I121-V254 HydrophobicContact CD1-CG1 3.9Å; I121-V254 HydrophobicContact CG1-CG1 4.03Å; V254-S265 WeakPolarHBondContact O-CA 3.49Å; V254-I266 HydrophobicContact CB-CD1 4.33Å; V254-I266 HydrophobicContact CB-CG1 3.86Å; V254-I266 PolarHBondContact N-O 3.31Å; V254-I266 WeakPolarHBondContact O-CG1 3.4Å; V254-I266 PolarHBondContact O-N 2.83Å
255	A	60.3	Low	54.9	Low	35 Å²	35	86.5 Å²	86.5	29%	0.289	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.4	174.2	0	0	0	0	0	110.4
256	M	62.3	Low	56.2	Low	13 Å²	13	80.5 Å²	80.5	6%	0.064	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	137.7	175.5	-61.3	-178	-67.8	0	0	110.6	Y199 R263 R264 I266 V272 L276	Y199-M256 HydrophobicContact CD1-CB 3.74Å; Y199-M256 HydrophobicContact CD1-CG 4.49Å; Y199-M256 HydrophobicContact CD1-SD 4.36Å; Y199-M256 HydrophobicContact CE1-CB 3.56Å; Y199-M256 HydrophobicContact CE1-CE 4.11Å; Y199-M256 HydrophobicContact CE1-CG 4.21Å; Y199-M256 HydrophobicContact CE1-SD 3.7Å; M256-R263 WeakPolarHBondContact O-CA 3.33Å; M256-R264 HydrophobicContact CE-CB 4.3Å; M256-R264 HydrophobicContact CE-CG 4.18Å; M256-R264 PolarHBondContact N-O 2.67Å; M256-R264 PolarHBondContact O-N 3.28Å; M256-I266 HydrophobicContact CE-CB 4.24Å; M256-I266 HydrophobicContact CE-CD1 3.67Å; M256-I266 HydrophobicContact CE-CG1 3.95Å; M256-I266 HydrophobicContact CE-CG2 3.35Å; M256-I266 HydrophobicContact CG-CD1 4.36Å; M256-I266 HydrophobicContact SD-CD1 3.79Å; M256-I266 HydrophobicContact SD-CG1 4.48Å; M256-V272 HydrophobicContact CE-CG2 4.14Å; M256-V272 HydrophobicContact SD-CG2 4.09Å; M256-L276 HydrophobicContact CG-CD1 4.35Å; M256-L276 HydrophobicContact SD-CD1 3.5Å; M256-L276 VanDerWaalsContact SD-CD1 3.5Å
257	H	60.5	Low	57.4	Low	52 Å²	52	79 Å²	79	24%	0.241	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	107.8	176.8	-68.5	-108.4	0	0	0	109.3	Y199 K200 V205	Y199-H257 WeakPolarHBondContact CA-O 3.48Å; K200-H257 HydrophobicContact CB-CB 4.27Å; K200-H257 PolarHBondContact N-O 3.3Å; V205-H257 HydrophobicContact CG2-CB 3.67Å
258	R	62.8	Low	58.8	Low	92 Å²	92	73.3 Å²	73.3	35%	0.347	39%	0.387	S	S	.	.	B	Isolated β-bridge	trans	-73.3	151	175	-72	-176.2	162.7	-167.4	-5.3	110.5	Y199 K200 N260 G261 V262	Y199-R258 HydrophobicContact CD1-CG 3.8Å; Y199-R258 HydrophobicContact CE1-CG 3.43Å; Y199-R258 VanDerWaalsContact CE1-CG 3.43Å; K200-R258 WeakPolarHBondContact CE-O 3.49Å; R258-N260 WeakPolarHBondContact CB-OD1 3.2Å; R258-N260 PolarHBondContact O-N 2.55Å; R258-G261 PolarHBondContact O-N 3.44Å; R258-V262 WeakPolarHBondContact CB-O 3.34Å; R258-V262 PolarHBondContact N-O 2.96Å
259	R	63	Low	60.5	Low	106 Å²	106	69.6 Å²	69.6	40%	0.4	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-25.6	176.9	-70.9	-166.3	-177.2	-83.3	-16.2	113.5	G197 A198 Y199 K200 E204 G261	G197-R259 WeakPolarHBondContact O-CD 3.3Å; G197-R259 PolarHBondContact O-NE 3.33Å; A198-R259 PolarHBondContact O-N 2.93Å; Y199-R259 PolarHBondContact O-NE 3.28Å; Y199-R259 PolarHBondContact O-NH2 3.28Å; Y199-R259 VanDerWaalsContact O-NH2 3.15Å; K200-R259 HydrophobicContact CG-CG 3.96Å; E204-R259 VanDerWaalsContact CD-NH1 3.26Å; E204-R259 IonicContact OE1-CZ 3.22Å; E204-R259 IonicContact OE1-NH1 2.67Å; E204-R259 PolarHBondContact OE1-NH1 3.32Å; E204-R259 IonicContact OE1-NH2 3.88Å; E204-R259 IonicContact OE2-CZ 3.89Å; E204-R259 VanDerWaalsContact OE2-CZ 3.24Å; E204-R259 IonicContact OE2-NH1 3.5Å; E204-R259 PolarHBondContact OE2-NH1 2.91Å; E204-R259 IonicContact OE2-NH2 3.62Å; E204-R259 PolarHBondContact OE2-NH2 2.92Å; R259-G261 PolarHBondContact O-N 2.72Å
260	N	66.3	Low	62.2	Low	112 Å²	112	67.9 Å²	67.9	60%	0.599	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	6.1	173.4	73	-11.4	0	0	0	114.1	R258 V262	R258-N260 WeakPolarHBondContact CB-OD1 3.2Å; R258-N260 PolarHBondContact O-N 2.55Å; N260-V262 VanDerWaalsContact C-N 3.34Å; N260-V262 PolarHBondContact O-N 3.14Å; N260-V262 WeakPolarHBondContact OD1-CB 3.44Å; N260-V262 PolarHBondContact OD1-N 3.09Å; N260-V262 VanDerWaalsContact OD1-N 3.14Å
261	G	60	Low	63.8	Low	57 Å²	57	67.8 Å²	67.8	59%	0.588	33%	0.333	S	S	*	.	S	Bend	trans	88.7	-10.5	178.6	0	0	0	0	0	114.8	R258 R259 R263	R258-G261 PolarHBondContact O-N 3.44Å; R259-G261 PolarHBondContact O-N 2.72Å; G261-R263 PolarHBondContact O-N 2.64Å
262	V	60.1	Low	65	Low	78 Å²	78	64.9 Å²	64.9	47%	0.473	32%	0.316	S	S	.	.			trans	-76.6	120.9	-179.3	-178.7	0	0	0	0	110.6	R258 N260	R258-V262 WeakPolarHBondContact CB-O 3.34Å; R258-V262 PolarHBondContact N-O 2.96Å; N260-V262 VanDerWaalsContact C-N 3.34Å; N260-V262 PolarHBondContact O-N 3.14Å; N260-V262 WeakPolarHBondContact OD1-CB 3.44Å; N260-V262 PolarHBondContact OD1-N 3.09Å; N260-V262 VanDerWaalsContact OD1-N 3.14Å
263	R	60.2	Low	65.8	Low	174 Å²	174	62.5 Å²	62.5	66%	0.657	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.3	131.3	169.7	-170.8	178.1	179.6	-169.4	-1.2	109.5	M256 G261	M256-R263 WeakPolarHBondContact O-CA 3.33Å; G261-R263 PolarHBondContact O-N 2.64Å
264	R	60.6	Low	66.7	Low	92 Å²	92	59 Å²	59	35%	0.347	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.2	175.8	-176.9	176.7	168.5	-165.3	-10.9	109.5	M256 I266 D270	M256-R264 HydrophobicContact CE-CB 4.3Å; M256-R264 HydrophobicContact CE-CG 4.18Å; M256-R264 PolarHBondContact N-O 2.67Å; M256-R264 PolarHBondContact O-N 3.28Å; R264-I266 HydrophobicContact CG-CG2 4.12Å; R264-D270 IonicContact NH2-OD2 3.91Å; R264-D270 PolarHBondContact NH2-OD2 2.76Å
265	S	64.8	Low	67.4	Low	75 Å²	75	58.5 Å²	58.5	52%	0.524	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	133.3	166.7	-165.5	0	0	0	0	108.9	N253 V254	N253-S265 WeakPolarHBondContact CB-OG 3.44Å; V254-S265 WeakPolarHBondContact O-CA 3.49Å
266	I	65.1	Low	67.9	Low	5 Å²	5	58.2 Å²	58.2	3%	0.026	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	149.5	174.1	57.1	172.8	0	0	0	110.2	N253 V254 M256 R264 D270 V272 C273	N253-I266 CarbonylContact C-O 3.41Å; N253-I266 VanDerWaalsContact CA-O 3.25Å; N253-I266 WeakPolarHBondContact CA-O 3.44Å; V254-I266 HydrophobicContact CB-CD1 4.33Å; V254-I266 HydrophobicContact CB-CG1 3.86Å; V254-I266 PolarHBondContact N-O 3.31Å; V254-I266 WeakPolarHBondContact O-CG1 3.4Å; V254-I266 PolarHBondContact O-N 2.83Å; M256-I266 HydrophobicContact CE-CB 4.24Å; M256-I266 HydrophobicContact CE-CD1 3.67Å; M256-I266 HydrophobicContact CE-CG1 3.95Å; M256-I266 HydrophobicContact CE-CG2 3.35Å; M256-I266 HydrophobicContact CG-CD1 4.36Å; M256-I266 HydrophobicContact SD-CD1 3.79Å; M256-I266 HydrophobicContact SD-CG1 4.48Å; R264-I266 HydrophobicContact CG-CG2 4.12Å; I266-D270 HydrophobicContact CB-CB 3.9Å; I266-D270 HydrophobicContact CD1-CB 4.32Å; I266-D270 HydrophobicContact CG2-CB 4.37Å; I266-D270 WeakPolarHBondContact CG2-OD2 3.43Å; I266-V272 HydrophobicContact CD1-CG2 3.34Å; I266-C273 WeakPolarHBondContact CD1-SG 3.46Å
267	R	66.7	Low	68.3	Low	145 Å²	145	58 Å²	58	55%	0.547	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	155.5	172.3	-62.8	-175.2	-65.1	175.4	0.5	110.3	I269 D270 C273	R267-I269 HydrophobicContact CB-CG1 4.11Å; R267-I269 PolarHBondContact O-N 2.84Å; R267-I269 VanDerWaalsContact O-N 3.13Å; R267-D270 VanDerWaalsContact O-CB 3.29Å; R267-D270 WeakPolarHBondContact O-CB 3.35Å; R267-D270 PolarHBondContact O-N 3.44Å; R267-C273 PolarHBondContact O-SG 3.22Å
268	D	67	Low	69.1	Low	20 Å²	20	55.6 Å²	55.6	11%	0.107	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-26.8	173	62	-19.2	0	0	0	115	R252	R252-D268 HydrophobicContact CB-CB 4.15Å; R252-D268 PolarHBondContact O-N 3.08Å
269	I	75	Confident	69.5	Low	24 Å²	24	51.7 Å²	51.7	12%	0.123	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	5.3	175.1	65	174.9	0	0	0	115.2	R267 W289 P291 N345	R267-I269 HydrophobicContact CB-CG1 4.11Å; R267-I269 PolarHBondContact O-N 2.84Å; R267-I269 VanDerWaalsContact O-N 3.13Å; I269-W289 HydrophobicContact CB-CZ3 4.18Å; I269-W289 HydrophobicContact CG2-CZ3 4.35Å; I269-P291 HydrophobicContact CD1-CG 3.81Å; I269-N345 WeakPolarHBondContact CG2-ND2 3.43Å; I269-N345 WeakPolarHBondContact CG2-OD1 3.19Å
270	D	75.9	Confident	70.2	Confident	32 Å²	32	47.7 Å²	47.7	17%	0.171	24%	0.24	C	C	.	.	S	Bend	trans	-68.8	138.5	175.1	-168	-56.8	0	0	0	110.3	R264 I266 R267 V272 C273	R264-D270 IonicContact NH2-OD2 3.91Å; R264-D270 PolarHBondContact NH2-OD2 2.76Å; I266-D270 HydrophobicContact CB-CB 3.9Å; I266-D270 HydrophobicContact CD1-CB 4.32Å; I266-D270 HydrophobicContact CG2-CB 4.37Å; I266-D270 WeakPolarHBondContact CG2-OD2 3.43Å; R267-D270 VanDerWaalsContact O-CB 3.29Å; R267-D270 WeakPolarHBondContact O-CB 3.35Å; R267-D270 PolarHBondContact O-N 3.44Å; D270-V272 PolarHBondContact O-N 3.02Å; D270-V272 WeakPolarHBondContact OD1-CG2 3.43Å; D270-V272 PolarHBondContact OD1-N 2.72Å; D270-C273 VanDerWaalsContact O-CB 3.31Å; D270-C273 WeakPolarHBondContact O-CB 3.48Å; D270-C273 PolarHBondContact O-N 3.21Å
271	R	81.4	Confident	70.9	Confident	91 Å²	91	42.5 Å²	42.5	34%	0.343	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-26.6	176.2	46.3	170.9	157.9	-116.9	2.8	114.6	P275 K287 G288 D290	R271-P275 VanDerWaalsContact O-CD 3.32Å; R271-P275 WeakPolarHBondContact O-CD 3.34Å; R271-K287 HydrophobicContact CB-CB 4.18Å; R271-G288 VanDerWaalsContact CB-O 3.3Å; R271-G288 WeakPolarHBondContact CB-O 3.49Å; R271-G288 VanDerWaalsContact O-CA 3.27Å; R271-G288 WeakPolarHBondContact O-CA 3.41Å; R271-G288 PolarHBondContact O-N 3.25Å; R271-D290 HydrophobicContact CB-CB 3.94Å; R271-D290 HydrophobicContact CG-CB 4.38Å; R271-D290 IonicContact CZ-OD1 3.24Å; R271-D290 IonicContact NH1-OD1 2.97Å; R271-D290 PolarHBondContact NH1-OD1 2.7Å; R271-D290 IonicContact NH1-OD2 2.83Å
272	V	75.2	Confident	71.9	Confident	13 Å²	13	39.9 Å²	39.9	8%	0.079	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-13.1	179.6	-51.7	0	0	0	0	113.8	F195 M256 I266 D270 K274 P275 L276	F195-V272 HydrophobicContact CE1-CB 4.01Å; F195-V272 HydrophobicContact CE1-CG1 3.87Å; F195-V272 HydrophobicContact CZ-CB 4.28Å; F195-V272 HydrophobicContact CZ-CG1 4.14Å; M256-V272 HydrophobicContact CE-CG2 4.14Å; M256-V272 HydrophobicContact SD-CG2 4.09Å; I266-V272 HydrophobicContact CD1-CG2 3.34Å; D270-V272 PolarHBondContact O-N 3.02Å; D270-V272 WeakPolarHBondContact OD1-CG2 3.43Å; D270-V272 PolarHBondContact OD1-N 2.72Å; V272-K274 PolarHBondContact O-N 2.78Å; V272-P275 WeakPolarHBondContact O-CD 3.46Å; V272-L276 HydrophobicContact CB-CD1 4.35Å; V272-L276 HydrophobicContact CG2-CD1 4.05Å; V272-L276 WeakPolarHBondContact O-CB 3.32Å; V272-L276 WeakPolarHBondContact O-CD1 3.35Å; V272-L276 WeakPolarHBondContact O-CG 3.42Å; V272-L276 PolarHBondContact O-N 3.07Å; V272-L276 VanDerWaalsContact O-N 3.16Å
273	C	74.3	Confident	72.6	Confident	6 Å²	6	38.2 Å²	38.2	4%	0.041	18%	0.175	C	C	.	.	H	α-helix	trans	-62.1	-46.8	-177.3	-79.2	0	0	0	0	112.7	I266 R267 D270 L276 S277	I266-C273 WeakPolarHBondContact CD1-SG 3.46Å; R267-C273 PolarHBondContact O-SG 3.22Å; D270-C273 VanDerWaalsContact O-CB 3.31Å; D270-C273 WeakPolarHBondContact O-CB 3.48Å; D270-C273 PolarHBondContact O-N 3.21Å; C273-L276 PolarHBondContact O-N 3.44Å; C273-S277 WeakPolarHBondContact O-CB 3.31Å; C273-S277 PolarHBondContact O-N 3.18Å; C273-S277 PolarHBondContact O-OG 3.29Å; C273-S277 VanDerWaalsContact O-OG 3.09Å
274	K	77.4	Confident	73.3	Confident	6 Å²	6	36.5 Å²	36.5	3%	0.026	17%	0.173	C	C	.	.	H	α-helix	trans	-65.9	-46.1	-177.6	-149.5	76.5	174.3	-173.4	0	112.5	V272 L276 S277 Y278 F282 Y311 H334 D337 S338	V272-K274 PolarHBondContact O-N 2.78Å; K274-L276 VanDerWaalsContact C-N 3.31Å; K274-L276 PolarHBondContact O-N 2.91Å; K274-S277 PolarHBondContact O-N 2.87Å; K274-S277 VanDerWaalsContact O-N 3.17Å; K274-Y278 HydrophobicContact CD-CD2 4.07Å; K274-Y278 HydrophobicContact CD-CE2 4.13Å; K274-Y278 HydrophobicContact CG-CD2 4.19Å; K274-Y278 PolarHBondContact O-N 3.19Å; K274-F282 HydrophobicContact CB-CE2 4.41Å; K274-F282 HydrophobicContact CG-CE2 3.86Å; K274-F282 HydrophobicContact CG-CZ 4.29Å; K274-Y311 HydrophobicContact CD-CE1 4.24Å; K274-H334 WeakPolarHBondContact CE-CD2 3.1Å; K274-H334 WeakPolarHBondContact CE-NE2 3.31Å; K274-D337 IonicContact NZ-OD2 3.37Å; K274-D337 PolarHBondContact NZ-OD2 3.32Å; K274-S338 WeakPolarHBondContact CE-OG 3.23Å; K274-S338 PolarHBondContact NZ-OG 2.95Å
275	P	77.4	Confident	73.4	Confident	1 Å²	1	36.3 Å²	36.3	1%	0.006	18%	0.176	C	C	.	.	H	α-helix	trans	-61.5	-35.1	175.1	-26.8	37.2	0	0	0	114.2	F195 R271 V272 Y278 P279 F282 Q286	F195-P275 HydrophobicContact CE2-CB 3.9Å; F195-P275 HydrophobicContact CZ-CB 4.44Å; R271-P275 VanDerWaalsContact O-CD 3.32Å; R271-P275 WeakPolarHBondContact O-CD 3.34Å; V272-P275 WeakPolarHBondContact O-CD 3.46Å; P275-Y278 CarbonylContact O-C 3.51Å; P275-P279 VanDerWaalsContact O-CA 3.25Å; P275-P279 WeakPolarHBondContact O-CA 3.25Å; P275-P279 WeakPolarHBondContact O-CD 3.43Å; P275-P279 VanDerWaalsContact O-N 3.15Å; P275-F282 HydrophobicContact CB-CB 3.84Å; P275-F282 HydrophobicContact CB-CG 4.32Å; P275-F282 HydrophobicContact CG-CB 4.21Å; P275-F282 HydrophobicContact CG-CG 4.26Å; P275-Q286 WeakPolarHBondContact CG-O 3.07Å
276	L	70.9	Confident	73.8	Confident	29 Å²	29	37.9 Å²	37.9	15%	0.152	18%	0.175	C	C	.	.	H	α-helix	trans	-72.8	-30.5	175.7	-68.8	172.2	0	0	0	112.6	I121 F195 M256 V272 C273 K274	I121-L276 HydrophobicContact CD1-CB 3.86Å; F195-L276 HydrophobicContact CB-CD2 3.78Å; F195-L276 HydrophobicContact CD1-CD2 4.05Å; F195-L276 HydrophobicContact CD2-CD2 4.5Å; F195-L276 HydrophobicContact CG-CD2 3.88Å; M256-L276 HydrophobicContact CG-CD1 4.35Å; M256-L276 HydrophobicContact SD-CD1 3.5Å; M256-L276 VanDerWaalsContact SD-CD1 3.5Å; V272-L276 HydrophobicContact CB-CD1 4.35Å; V272-L276 HydrophobicContact CG2-CD1 4.05Å; V272-L276 WeakPolarHBondContact O-CB 3.32Å; V272-L276 WeakPolarHBondContact O-CD1 3.35Å; V272-L276 WeakPolarHBondContact O-CG 3.42Å; V272-L276 PolarHBondContact O-N 3.07Å; V272-L276 VanDerWaalsContact O-N 3.16Å; C273-L276 PolarHBondContact O-N 3.44Å; K274-L276 VanDerWaalsContact C-N 3.31Å; K274-L276 PolarHBondContact O-N 2.91Å
277	S	70.7	Confident	74.4	Confident	7 Å²	7	43.4 Å²	43.4	5%	0.049	20%	0.199	C	C	.	.	H	α-helix	trans	-82.7	-31.6	177.5	-63	0	0	0	0	114.1	N113 C273 K274	N113-S277 PolarHBondContact ND2-O 2.98Å; C273-S277 WeakPolarHBondContact O-CB 3.31Å; C273-S277 PolarHBondContact O-N 3.18Å; C273-S277 PolarHBondContact O-OG 3.29Å; C273-S277 VanDerWaalsContact O-OG 3.09Å; K274-S277 PolarHBondContact O-N 2.87Å; K274-S277 VanDerWaalsContact O-N 3.17Å
278	Y	75.6	Confident	75.1	Confident	3 Å²	3	36.5 Å²	36.5	1%	0.012	17%	0.173	C	C	.	.			trans	-128.3	56	-178.6	-57.7	-87.1	0	0	0	111.9	K274 P275 I280 F281 F282 L330 Q333 H334 D337	K274-Y278 HydrophobicContact CD-CD2 4.07Å; K274-Y278 HydrophobicContact CD-CE2 4.13Å; K274-Y278 HydrophobicContact CG-CD2 4.19Å; K274-Y278 PolarHBondContact O-N 3.19Å; P275-Y278 CarbonylContact O-C 3.51Å; Y278-I280 PolarHBondContact O-N 3.46Å; Y278-F281 HydrophobicContact CD1-CD2 4.1Å; Y278-F281 HydrophobicContact CD1-CE2 4.1Å; Y278-F281 HydrophobicContact CG-CD2 4.19Å; Y278-F281 PolarHBondContact O-N 2.71Å; Y278-F282 WeakPolarHBondContact O-CD2 3.3Å; Y278-F282 PolarHBondContact O-N 3.42Å; Y278-L330 HydrophobicContact CD1-CD1 4.06Å; Y278-L330 HydrophobicContact CD1-CG 4.45Å; Y278-L330 HydrophobicContact CE1-CD1 4.22Å; Y278-Q333 HydrophobicContact CE1-CG 4.1Å; Y278-Q333 PolarHBondContact OH-O 3.23Å; Y278-H334 HydrophobicContact CD1-CB 4.04Å; Y278-H334 AromaticContact CD2-CD2 3.87Å; Y278-H334 HydrophobicContact CE1-CB 3.79Å; Y278-H334 AromaticContact CG-CD2 3.96Å; Y278-D337 WeakPolarHBondContact CE2-OD2 3.43Å; Y278-D337 VanDerWaalsContact OH-CB 3.23Å; Y278-D337 WeakPolarHBondContact OH-CB 3.33Å; Y278-D337 PolarHBondContact OH-OD2 3.37Å
279	P	71.8	Confident	76	Confident	9 Å²	9	37 Å²	37	6%	0.058	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-28.1	-176.8	19.6	-34	0	0	0	113.7	N113 L116 F189 P275 F281 F282 P283	N113-P279 WeakPolarHBondContact OD1-CD 3.22Å; N113-P279 WeakPolarHBondContact OD1-CG 3.39Å; L116-P279 HydrophobicContact CB-CG 4.08Å; L116-P279 HydrophobicContact CD1-CB 3.95Å; L116-P279 HydrophobicContact CD1-CG 3.4Å; L116-P279 VanDerWaalsContact CD1-CG 3.4Å; L116-P279 HydrophobicContact CG-CG 4.34Å; F189-P279 HydrophobicContact CD1-CB 4.44Å; F189-P279 HydrophobicContact CE1-CB 3.72Å; F189-P279 VanDerWaalsContact CE1-O 3.25Å; F189-P279 WeakPolarHBondContact CE1-O 3.46Å; F189-P279 HydrophobicContact CZ-CB 4.2Å; F189-P279 WeakPolarHBondContact CZ-O 3.1Å; P275-P279 VanDerWaalsContact O-CA 3.25Å; P275-P279 WeakPolarHBondContact O-CA 3.25Å; P275-P279 WeakPolarHBondContact O-CD 3.43Å; P275-P279 VanDerWaalsContact O-N 3.15Å; P279-F281 VanDerWaalsContact C-N 3.34Å; P279-F281 PolarHBondContact O-N 2.94Å; P279-F282 CarbonylContact O-C 2.87Å; P279-F282 PolarHBondContact O-N 3.37Å; P279-P283 VanDerWaalsContact O-CA 3.28Å; P279-P283 WeakPolarHBondContact O-CA 3.12Å; P279-P283 VanDerWaalsContact O-N 3.12Å
280	I	77.3	Confident	76.6	Confident	23 Å²	23	36.7 Å²	36.7	12%	0.118	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-37	173.8	-79.6	164.6	0	0	0	113	L109 F112 N113 F189 Y278 L330	L109-I280 HydrophobicContact CB-CD1 3.96Å; L109-I280 HydrophobicContact CD2-CD1 3.51Å; L109-I280 HydrophobicContact CD2-CG1 3.93Å; L109-I280 HydrophobicContact CD2-CG2 3.85Å; L109-I280 HydrophobicContact CG-CD1 4.33Å; L109-I280 WeakPolarHBondContact O-CD1 3.15Å; F112-I280 HydrophobicContact CB-CD1 4.1Å; F112-I280 HydrophobicContact CD1-CD1 3.57Å; F112-I280 HydrophobicContact CD1-CG1 4.07Å; F112-I280 HydrophobicContact CE1-CD1 4.44Å; F112-I280 HydrophobicContact CE1-CG1 4.5Å; F112-I280 HydrophobicContact CG-CD1 4.22Å; N113-I280 HydrophobicContact CB-CD1 3.93Å; F189-I280 HydrophobicContact CE2-CG1 4.17Å; F189-I280 HydrophobicContact CZ-CG1 4.02Å; Y278-I280 PolarHBondContact O-N 3.46Å; I280-L330 HydrophobicContact CB-CD2 4.26Å; I280-L330 HydrophobicContact CG2-CD2 4.18Å
281	F	81.8	Confident	76.9	Confident	3 Å²	3	38.2 Å²	38.2	1%	0.013	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-25.1	176.6	-62.5	-28.2	0	0	0	112.5	Y278 P279 P283 P323 V324 L330 H334	Y278-F281 HydrophobicContact CD1-CD2 4.1Å; Y278-F281 HydrophobicContact CD1-CE2 4.1Å; Y278-F281 HydrophobicContact CG-CD2 4.19Å; Y278-F281 PolarHBondContact O-N 2.71Å; P279-F281 VanDerWaalsContact C-N 3.34Å; P279-F281 PolarHBondContact O-N 2.94Å; F281-P283 VanDerWaalsContact C-CD 3.43Å; F281-P283 WeakPolarHBondContact O-CD 3.42Å; F281-P323 WeakPolarHBondContact CD1-O 3.22Å; F281-P323 VanDerWaalsContact CE1-O 3.26Å; F281-P323 WeakPolarHBondContact CE1-O 3.44Å; F281-V324 HydrophobicContact CB-CG2 3.99Å; F281-V324 HydrophobicContact CD1-CG2 4.49Å; F281-V324 HydrophobicContact CD2-CG1 4.41Å; F281-V324 HydrophobicContact CD2-CG2 4.38Å; F281-V324 HydrophobicContact CE2-CG1 4.45Å; F281-V324 HydrophobicContact CG-CB 4.48Å; F281-V324 HydrophobicContact CG-CG2 4.05Å; F281-L330 HydrophobicContact CE1-CD2 3.96Å; F281-L330 HydrophobicContact CE1-CG 4.32Å; F281-L330 HydrophobicContact CE2-CD2 4.09Å; F281-L330 HydrophobicContact CE2-CG 3.78Å; F281-L330 HydrophobicContact CZ-CB 3.91Å; F281-L330 HydrophobicContact CZ-CD2 3.66Å; F281-L330 HydrophobicContact CZ-CG 3.52Å; F281-H334 HydrophobicContact CD2-CB 4.25Å; F281-H334 HydrophobicContact CE2-CB 3.71Å
282	F	81.5	Confident	76.9	Confident	2 Å²	2	37.6 Å²	37.6	1%	0.009	19%	0.193	C	C	.	.			trans	-125.2	68.6	-179.3	-51	-76.6	0	0	0	110.2	K274 P275 Y278 P279 K284 Q286 L314	K274-F282 HydrophobicContact CB-CE2 4.41Å; K274-F282 HydrophobicContact CG-CE2 3.86Å; K274-F282 HydrophobicContact CG-CZ 4.29Å; P275-F282 HydrophobicContact CB-CB 3.84Å; P275-F282 HydrophobicContact CB-CG 4.32Å; P275-F282 HydrophobicContact CG-CB 4.21Å; P275-F282 HydrophobicContact CG-CG 4.26Å; Y278-F282 WeakPolarHBondContact O-CD2 3.3Å; Y278-F282 PolarHBondContact O-N 3.42Å; P279-F282 CarbonylContact O-C 2.87Å; P279-F282 PolarHBondContact O-N 3.37Å; F282-K284 VanDerWaalsContact C-N 3.25Å; F282-K284 PolarHBondContact O-N 2.81Å; F282-Q286 HydrophobicContact CB-CB 4.48Å; F282-Q286 HydrophobicContact CD1-CB 3.96Å; F282-L314 HydrophobicContact CE1-CD1 4.32Å; F282-L314 HydrophobicContact CZ-CD1 3.93Å
283	P	73.7	Confident	77.1	Confident	42 Å²	42	39.7 Å²	39.7	27%	0.273	20%	0.202	S	C	.	.			trans	-68.9	-23.7	-172.6	25.8	-34.6	0	0	0	113.7	F189 I192 N193 P279 F281	F189-P283 HydrophobicContact CE1-CB 4.34Å; I192-P283 HydrophobicContact CD1-CB 3.87Å; N193-P283 WeakPolarHBondContact CB-O 3.47Å; P279-P283 VanDerWaalsContact O-CA 3.28Å; P279-P283 WeakPolarHBondContact O-CA 3.12Å; P279-P283 VanDerWaalsContact O-N 3.12Å; F281-P283 VanDerWaalsContact C-CD 3.43Å; F281-P283 WeakPolarHBondContact O-CD 3.42Å
284	K	74.7	Confident	77.3	Confident	139 Å²	139	42.5 Å²	42.5	60%	0.604	23%	0.226	S	C	*	.	S	Bend	trans	-104.7	-166.1	176	-60.5	-176.2	-179.4	179.8	0	110.3	F282 Q286	F282-K284 VanDerWaalsContact C-N 3.25Å; F282-K284 PolarHBondContact O-N 2.81Å; K284-Q286 PolarHBondContact O-N 3.5Å
285	E	64.1	Low	77.2	Confident	88 Å²	88	44 Å²	44	41%	0.411	23%	0.234	S	C	.	.			trans	-79.1	34.9	176.1	-68.3	-168.1	155.8	0	0	114.9	L194 K287	L194-E285 HydrophobicContact CB-CG 3.69Å; L194-E285 WeakPolarHBondContact CB-OE1 3.4Å; L194-E285 HydrophobicContact CD1-CG 3.6Å; L194-E285 WeakPolarHBondContact CD1-OE1 3.25Å; L194-E285 HydrophobicContact CG-CG 4.09Å; E285-K287 PolarHBondContact O-N 3.04Å
286	Q	72.4	Confident	76.9	Confident	107 Å²	107	48.9 Å²	48.9	50%	0.5	26%	0.263	S	S	.	.			trans	-62.7	110.6	173	-73.5	177.8	-5.2	0	0	108.2	P275 F282 K284	P275-Q286 WeakPolarHBondContact CG-O 3.07Å; F282-Q286 HydrophobicContact CB-CB 4.48Å; F282-Q286 HydrophobicContact CD1-CB 3.96Å; K284-Q286 PolarHBondContact O-N 3.5Å
287	K	77.7	Confident	77	Confident	121 Å²	121	51.6 Å²	51.6	53%	0.526	28%	0.281	S	S	.	.			trans	-69.3	132.4	177.1	-74.5	169.2	177.4	174	0	108.2	R271 E285	R271-K287 HydrophobicContact CB-CB 4.18Å; E285-K287 PolarHBondContact O-N 3.04Å
288	G	82	Confident	76.6	Confident	1 Å²	1	55 Å²	55	1%	0.01	31%	0.305	C	S	.	.			trans	-68	-178.7	167.8	0	0	0	0	0	111.9	R271	R271-G288 VanDerWaalsContact CB-O 3.3Å; R271-G288 WeakPolarHBondContact CB-O 3.49Å; R271-G288 VanDerWaalsContact O-CA 3.27Å; R271-G288 WeakPolarHBondContact O-CA 3.41Å; R271-G288 PolarHBondContact O-N 3.25Å
289	W	86.2	Confident	76.1	Confident	29 Å²	29	59.5 Å²	59.5	11%	0.11	33%	0.326	C	S	.	.			trans	-65.1	144.8	173.3	-178.7	82	0	0	0	112.3	I269 P291 I305 Q307 Y310	I269-W289 HydrophobicContact CB-CZ3 4.18Å; I269-W289 HydrophobicContact CG2-CZ3 4.35Å; W289-P291 HydrophobicContact CH2-CG 4.06Å; W289-P291 HydrophobicContact CZ3-CG 4.42Å; W289-I305 PolarHBondContact NE1-O 3.39Å; W289-Q307 HydrophobicContact CD2-CB 3.56Å; W289-Q307 HydrophobicContact CD2-CG 3.64Å; W289-Q307 VanDerWaalsContact CE2-N 3.3Å; W289-Q307 HydrophobicContact CE3-CB 3.67Å; W289-Q307 HydrophobicContact CE3-CG 3.46Å; W289-Q307 VanDerWaalsContact CE3-CG 3.46Å; W289-Q307 HydrophobicContact CG-CB 4.25Å; W289-Q307 HydrophobicContact CG-CG 4.16Å; W289-Q307 HydrophobicContact CH2-CB 3.76Å; W289-Q307 HydrophobicContact CH2-CG 4.36Å; W289-Q307 HydrophobicContact CZ2-CB 3.68Å; W289-Q307 HydrophobicContact CZ3-CB 3.75Å; W289-Q307 HydrophobicContact CZ3-CG 3.84Å; W289-Y310 HydrophobicContact CB-CD1 3.57Å; W289-Y310 HydrophobicContact CB-CD2 4.13Å; W289-Y310 HydrophobicContact CB-CE1 4.04Å; W289-Y310 HydrophobicContact CB-CG 3.63Å; W289-Y310 HydrophobicContact CG-CD1 4.48Å; W289-Y310 HydrophobicContact CG-CG 4.22Å
290	D	86.6	Confident	75.9	Confident	18 Å²	18	65.9 Å²	65.9	10%	0.096	37%	0.367	C	S	.	.			trans	-146.2	164.1	165.4	77.9	-107	0	0	0	109.8	R271 S292 H293	R271-D290 HydrophobicContact CB-CB 3.94Å; R271-D290 HydrophobicContact CG-CB 4.38Å; R271-D290 IonicContact CZ-OD1 3.24Å; R271-D290 IonicContact NH1-OD1 2.97Å; R271-D290 PolarHBondContact NH1-OD1 2.7Å; R271-D290 IonicContact NH1-OD2 2.83Å; D290-S292 PolarHBondContact O-N 3.28Å; D290-S292 WeakPolarHBondContact OD2-CA 3.37Å; D290-S292 VanDerWaalsContact OD2-CB 3.32Å; D290-S292 WeakPolarHBondContact OD2-CB 3.27Å; D290-S292 PolarHBondContact OD2-N 3.15Å; D290-S292 PolarHBondContact OD2-OG 2.75Å; D290-H293 WeakPolarHBondContact O-CB 3.16Å; D290-H293 PolarHBondContact O-N 2.92Å
291	P	81.3	Confident	75.5	Confident	65 Å²	65	76.3 Å²	76.3	42%	0.422	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-21.6	-176.8	-26.7	35.5	0	0	0	115.6	I269 W289 H293	I269-P291 HydrophobicContact CD1-CG 3.81Å; W289-P291 HydrophobicContact CH2-CG 4.06Å; W289-P291 HydrophobicContact CZ3-CG 4.42Å; P291-H293 VanDerWaalsContact C-N 3.32Å
292	S	81.4	Confident	75.1	Confident	78 Å²	78	79.8 Å²	79.8	55%	0.545	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	7.6	177.7	71.9	0	0	0	0	113.8	D290 A294	D290-S292 PolarHBondContact O-N 3.28Å; D290-S292 WeakPolarHBondContact OD2-CA 3.37Å; D290-S292 VanDerWaalsContact OD2-CB 3.32Å; D290-S292 WeakPolarHBondContact OD2-CB 3.27Å; D290-S292 PolarHBondContact OD2-N 3.15Å; D290-S292 PolarHBondContact OD2-OG 2.75Å; S292-A294 PolarHBondContact O-N 2.95Å
293	H	80.2	Confident	75	Confident	56 Å²	56	83.8 Å²	83.8	26%	0.259	44%	0.443	S	S	.	.			trans	-67.4	100.6	-178.4	-153.2	104.7	0	0	0	110.7	D290 P291 T304 I305	D290-H293 WeakPolarHBondContact O-CB 3.16Å; D290-H293 PolarHBondContact O-N 2.92Å; P291-H293 VanDerWaalsContact C-N 3.32Å; H293-T304 CarbonylContact O-C 2.97Å; H293-T304 WeakPolarHBondContact O-CA 3.48Å; H293-I305 PolarHBondContact O-N 3Å
294	A	77.8	Confident	75.5	Confident	65 Å²	65	84.5 Å²	84.5	54%	0.537	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	146.7	-177.4	0	0	0	0	0	111.8	S292	S292-A294 PolarHBondContact O-N 2.95Å
295	M	75.4	Confident	76	Confident	39 Å²	39	79.7 Å²	79.7	19%	0.192	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	144	166.7	-71.8	174	152.1	0	0	110	V297 R302 T303 I305	M295-V297 VanDerWaalsContact C-N 3.33Å; M295-V297 WeakPolarHBondContact CB-O 3.26Å; M295-R302 HydrophobicContact CE-CG 4.03Å; M295-R302 VanDerWaalsContact CE-NE 3.28Å; M295-R302 HydrophobicContact SD-CB 4.44Å; M295-R302 HydrophobicContact SD-CG 3.91Å; M295-R302 VanDerWaalsContact SD-O 3.42Å; M295-T303 PolarHBondContact N-O 3.43Å; M295-I305 HydrophobicContact CB-CG1 4.38Å; M295-I305 HydrophobicContact CE-CG1 4.33Å; M295-I305 HydrophobicContact CG-CD1 4.38Å; M295-I305 HydrophobicContact CG-CG1 3.47Å; M295-I305 VanDerWaalsContact CG-CG1 3.47Å
296	T	72.5	Confident	77	Confident	103 Å²	103	78.2 Å²	78.2	63%	0.632	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	-37	173	-53.8	0	0	0	0	110.6
297	V	71.3	Confident	77.7	Confident	85 Å²	85	73.7 Å²	73.7	52%	0.515	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	100.9	171	-174	0	0	0	0	108	M295 E299	M295-V297 VanDerWaalsContact C-N 3.33Å; M295-V297 WeakPolarHBondContact CB-O 3.26Å; V297-E299 PolarHBondContact O-N 3.23Å
298	S	62.4	Low	78.2	Confident	80 Å²	80	70.3 Å²	70.3	56%	0.559	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.6	124.4	178.7	56.7	0	0	0	0	110.9
299	E	65.2	Low	78.4	Confident	97 Å²	97	72.2 Å²	72.2	45%	0.453	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	153.5	168.2	-69.9	-177	178	0	0	110.3	V297 R301 R302	V297-E299 PolarHBondContact O-N 3.23Å; E299-R301 PolarHBondContact O-N 2.86Å; E299-R302 HydrophobicContact CB-CB 4.47Å; E299-R302 PolarHBondContact N-O 3.12Å; E299-R302 CarbonylContact O-C 3.59Å; E299-R302 PolarHBondContact O-N 3.42Å; E299-R302 VanDerWaalsContact O-O 3.1Å
300	P	67.5	Low	78.6	Confident	142 Å²	142	71.8 Å²	71.8	92%	0.922	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-31.6	-179.6	-23.2	31.2	0	0	0	113.6
301	R	69.6	Low	78.7	Confident	243 Å²	243	71.4 Å²	71.4	92%	0.917	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.3	-10.9	-178.1	-67.8	-176.5	175.3	165.6	-0.6	113.4	E299	E299-R301 PolarHBondContact O-N 2.86Å
302	R	73.7	Confident	79.1	Confident	75 Å²	75	72.5 Å²	72.5	28%	0.283	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	110.9	-169.4	-168.9	176.2	172.4	-165.3	-11.8	112	M295 E299 T304 D309	M295-R302 HydrophobicContact CE-CG 4.03Å; M295-R302 VanDerWaalsContact CE-NE 3.28Å; M295-R302 HydrophobicContact SD-CB 4.44Å; M295-R302 HydrophobicContact SD-CG 3.91Å; M295-R302 VanDerWaalsContact SD-O 3.42Å; E299-R302 HydrophobicContact CB-CB 4.47Å; E299-R302 PolarHBondContact N-O 3.12Å; E299-R302 CarbonylContact O-C 3.59Å; E299-R302 PolarHBondContact O-N 3.42Å; E299-R302 VanDerWaalsContact O-O 3.1Å; R302-T304 PolarHBondContact NE-O 2.99Å; R302-T304 PolarHBondContact NH2-O 3.47Å; R302-D309 IonicContact CZ-OD2 2.7Å; R302-D309 IonicContact NH1-OD2 2.66Å; R302-D309 PolarHBondContact NH1-OD2 3.49Å; R302-D309 IonicContact NH2-OD2 3.69Å; R302-D309 PolarHBondContact NH2-OD2 2.78Å
303	T	79.1	Confident	79.4	Confident	87 Å²	87	73.1 Å²	73.1	53%	0.534	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	-15.7	-178.9	54.7	0	0	0	0	113.3	M295	M295-T303 PolarHBondContact N-O 3.43Å
304	T	84	Confident	79.7	Confident	57 Å²	57	71.4 Å²	71.4	35%	0.35	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	148.7	-176	60.4	0	0	0	0	113.3	H293 R302	H293-T304 CarbonylContact O-C 2.97Å; H293-T304 WeakPolarHBondContact O-CA 3.48Å; R302-T304 PolarHBondContact NE-O 2.99Å; R302-T304 PolarHBondContact NH2-O 3.47Å
305	I	85.4	Confident	80.1	Confident	37 Å²	37	68.4 Å²	68.4	19%	0.19	35%	0.351	C	S	.	.			trans	-80.8	131.3	175.7	-57.9	-178.9	0	0	0	108.5	W289 H293 M295 D309	W289-I305 PolarHBondContact NE1-O 3.39Å; H293-I305 PolarHBondContact O-N 3Å; M295-I305 HydrophobicContact CB-CG1 4.38Å; M295-I305 HydrophobicContact CE-CG1 4.33Å; M295-I305 HydrophobicContact CG-CD1 4.38Å; M295-I305 HydrophobicContact CG-CG1 3.47Å; M295-I305 VanDerWaalsContact CG-CG1 3.47Å; I305-D309 HydrophobicContact CG2-CB 4.05Å
306	T	85.4	Confident	80.4	Confident	57 Å²	57	68.4 Å²	68.4	35%	0.35	35%	0.351	S	S	.	.			trans	-77.2	153.4	176	72.6	0	0	0	0	109.2	K308 D309 Y310	T306-K308 PolarHBondContact O-N 2.97Å; T306-D309 PolarHBondContact O-N 2.78Å; T306-D309 PolarHBondContact OG1-N 2.96Å; T306-D309 PolarHBondContact OG1-OD2 3.03Å; T306-Y310 PolarHBondContact O-N 3.13Å
307	Q	87.1	Confident	80.6	Confident	12 Å²	12	68.4 Å²	68.4	6%	0.056	35%	0.35	C	S	.	.	H	α-helix	trans	-56.9	-37.6	179.2	-168.2	179.8	38.7	0	0	112.7	W289 Y310 Y311 K341 V342 N345	W289-Q307 HydrophobicContact CD2-CB 3.56Å; W289-Q307 HydrophobicContact CD2-CG 3.64Å; W289-Q307 VanDerWaalsContact CE2-N 3.3Å; W289-Q307 HydrophobicContact CE3-CB 3.67Å; W289-Q307 HydrophobicContact CE3-CG 3.46Å; W289-Q307 VanDerWaalsContact CE3-CG 3.46Å; W289-Q307 HydrophobicContact CG-CB 4.25Å; W289-Q307 HydrophobicContact CG-CG 4.16Å; W289-Q307 HydrophobicContact CH2-CB 3.76Å; W289-Q307 HydrophobicContact CH2-CG 4.36Å; W289-Q307 HydrophobicContact CZ2-CB 3.68Å; W289-Q307 HydrophobicContact CZ3-CB 3.75Å; W289-Q307 HydrophobicContact CZ3-CG 3.84Å; Q307-Y310 PolarHBondContact O-N 3.2Å; Q307-Y311 HydrophobicContact CG-CD2 3.99Å; Q307-Y311 HydrophobicContact CG-CE2 3.46Å; Q307-Y311 VanDerWaalsContact CG-CE2 3.46Å; Q307-Y311 VanDerWaalsContact O-CD2 3.23Å; Q307-Y311 WeakPolarHBondContact O-CD2 3.4Å; Q307-Y311 PolarHBondContact O-N 2.97Å; Q307-Y311 VanDerWaalsContact O-N 3.15Å; Q307-K341 PolarHBondContact OE1-O 3.03Å; Q307-V342 HydrophobicContact CB-CG2 4.16Å; Q307-V342 HydrophobicContact CG-CG2 3.9Å; Q307-V342 VanDerWaalsContact OE1-CA 3.29Å; Q307-N345 VanDerWaalsContact CD-ND2 3.25Å; Q307-N345 PolarHBondContact NE2-ND2 2.75Å; Q307-N345 PolarHBondContact OE1-ND2 2.87Å
308	K	87.8	Confident	80.5	Confident	50 Å²	50	68.1 Å²	68.1	22%	0.217	34%	0.343	C	S	.	.	H	α-helix	trans	-61.2	-47.3	176.1	-172.8	-158.4	61.1	160.1	0	110.9	T306 Y310 Y311 Y312 V342 I633	T306-K308 PolarHBondContact O-N 2.97Å; K308-Y310 VanDerWaalsContact C-N 3.32Å; K308-Y310 PolarHBondContact O-N 2.56Å; K308-Y311 PolarHBondContact O-N 2.92Å; K308-Y312 WeakPolarHBondContact O-CB 2.93Å; K308-Y312 PolarHBondContact O-N 3.06Å; K308-V342 HydrophobicContact CB-CG1 4.01Å; K308-V342 HydrophobicContact CB-CG2 4.34Å; K308-V342 HydrophobicContact CG-CG1 4.45Å; K308-I633 WeakPolarHBondContact CD-O 3.49Å; K308-I633 VanDerWaalsContact CG-O 3.31Å; K308-I633 WeakPolarHBondContact CG-O 3.43Å
309	D	87.2	Confident	81	Confident	42 Å²	42	73 Å²	73	23%	0.225	36%	0.363	C	S	.	.	H	α-helix	trans	-69.2	-32.5	-176.7	-58.7	-25	0	0	0	111.8	R302 I305 T306 Y312 F313	R302-D309 IonicContact CZ-OD2 2.7Å; R302-D309 IonicContact NH1-OD2 2.66Å; R302-D309 PolarHBondContact NH1-OD2 3.49Å; R302-D309 IonicContact NH2-OD2 3.69Å; R302-D309 PolarHBondContact NH2-OD2 2.78Å; I305-D309 HydrophobicContact CG2-CB 4.05Å; T306-D309 PolarHBondContact O-N 2.78Å; T306-D309 PolarHBondContact OG1-N 2.96Å; T306-D309 PolarHBondContact OG1-OD2 3.03Å; D309-Y312 WeakPolarHBondContact O-CB 3.47Å; D309-Y312 PolarHBondContact O-N 3.28Å; D309-F313 WeakPolarHBondContact O-CB 3.49Å; D309-F313 PolarHBondContact O-N 3.25Å
310	Y	89.8	Confident	81.5	Confident	20 Å²	20	70.9 Å²	70.9	8%	0.078	37%	0.367	C	S	.	.	H	α-helix	trans	-61.7	-45.9	170.1	174.8	-92.6	0	0	0	112	W289 T306 Q307 K308 Y312 F313 L314	W289-Y310 HydrophobicContact CB-CD1 3.57Å; W289-Y310 HydrophobicContact CB-CD2 4.13Å; W289-Y310 HydrophobicContact CB-CE1 4.04Å; W289-Y310 HydrophobicContact CB-CG 3.63Å; W289-Y310 HydrophobicContact CG-CD1 4.48Å; W289-Y310 HydrophobicContact CG-CG 4.22Å; T306-Y310 PolarHBondContact O-N 3.13Å; Q307-Y310 PolarHBondContact O-N 3.2Å; K308-Y310 VanDerWaalsContact C-N 3.32Å; K308-Y310 PolarHBondContact O-N 2.56Å; Y310-Y312 VanDerWaalsContact C-N 3.35Å; Y310-F313 WeakPolarHBondContact O-CB 3.3Å; Y310-F313 PolarHBondContact O-N 2.98Å; Y310-L314 HydrophobicContact CD1-CD1 4.18Å; Y310-L314 HydrophobicContact CE1-CD1 3.46Å; Y310-L314 VanDerWaalsContact CE1-CD1 3.46Å; Y310-L314 HydrophobicContact CE1-CG 4.05Å; Y310-L314 PolarHBondContact O-N 3.03Å; Y310-L314 VanDerWaalsContact O-N 3.1Å
311	Y	89.7	Confident	82.1	Confident	9 Å²	9	72.1 Å²	72.1	4%	0.035	36%	0.358	C	S	.	.	H	α-helix	trans	-70	-33.1	177.2	-65.5	-43.6	0	0	0	112.7	K274 Q307 K308 F313 L314 L315 V342	K274-Y311 HydrophobicContact CD-CE1 4.24Å; Q307-Y311 HydrophobicContact CG-CD2 3.99Å; Q307-Y311 HydrophobicContact CG-CE2 3.46Å; Q307-Y311 VanDerWaalsContact CG-CE2 3.46Å; Q307-Y311 VanDerWaalsContact O-CD2 3.23Å; Q307-Y311 WeakPolarHBondContact O-CD2 3.4Å; Q307-Y311 PolarHBondContact O-N 2.97Å; Q307-Y311 VanDerWaalsContact O-N 3.15Å; K308-Y311 PolarHBondContact O-N 2.92Å; Y311-F313 VanDerWaalsContact C-N 3.33Å; Y311-L314 HydrophobicContact CD1-CD1 4.27Å; Y311-L314 PolarHBondContact O-N 3.22Å; Y311-L315 WeakPolarHBondContact O-CG 3.46Å; Y311-L315 PolarHBondContact O-N 3.02Å; Y311-V342 HydrophobicContact CD2-CG2 3.65Å; Y311-V342 HydrophobicContact CE2-CG2 3.88Å
312	Y	88.5	Confident	82.7	Confident	89 Å²	89	61.5 Å²	61.5	35%	0.349	32%	0.319	S	S	.	.	H	α-helix	trans	-55.9	-51.2	168.9	-174.5	-72.3	0	0	0	110.1	K308 D309 Y310 L314 L315 Q316 F634	K308-Y312 WeakPolarHBondContact O-CB 2.93Å; K308-Y312 PolarHBondContact O-N 3.06Å; D309-Y312 WeakPolarHBondContact O-CB 3.47Å; D309-Y312 PolarHBondContact O-N 3.28Å; Y310-Y312 VanDerWaalsContact C-N 3.35Å; Y312-L314 VanDerWaalsContact C-N 3.31Å; Y312-L314 PolarHBondContact O-N 3.32Å; Y312-L315 CarbonylContact O-C 3.54Å; Y312-L315 PolarHBondContact O-N 3.03Å; Y312-Q316 HydrophobicContact CD1-CB 4.36Å; Y312-Q316 HydrophobicContact CE1-CB 4.15Å; Y312-Q316 PolarHBondContact O-N 3.05Å; Y312-F634 HydrophobicContact CD2-CB 4.41Å; Y312-F634 AromaticContact CD2-CD1 3.52Å; Y312-F634 HydrophobicContact CD2-CD1 3.52Å; Y312-F634 HydrophobicContact CD2-CE1 4.27Å; Y312-F634 HydrophobicContact CD2-CG 4.36Å; Y312-F634 HydrophobicContact CE2-CB 4.15Å; Y312-F634 AromaticContact CE2-CD1 3.56Å; Y312-F634 HydrophobicContact CE2-CD1 3.56Å; Y312-F634 HydrophobicContact CE2-CE1 4.3Å; Y312-F634 HydrophobicContact CE2-CG 4.13Å; Y312-F634 HydrophobicContact CG-CD1 4.2Å
313	F	87	Confident	83	Confident	90 Å²	90	60.1 Å²	60.1	40%	0.395	32%	0.32	S	S	.	.	H	α-helix	trans	-57.5	-40.7	179.1	169	-91.7	0	0	0	112.5	D309 Y310 Y311 L315 Q316	D309-F313 WeakPolarHBondContact O-CB 3.49Å; D309-F313 PolarHBondContact O-N 3.25Å; Y310-F313 WeakPolarHBondContact O-CB 3.3Å; Y310-F313 PolarHBondContact O-N 2.98Å; Y311-F313 VanDerWaalsContact C-N 3.33Å; F313-L315 VanDerWaalsContact C-N 3.25Å; F313-L315 PolarHBondContact O-N 3Å; F313-Q316 VanDerWaalsContact CE2-NE2 3.27Å; F313-Q316 VanDerWaalsContact O-CG 3.29Å; F313-Q316 WeakPolarHBondContact O-CG 3.38Å
314	L	86.8	Confident	83.2	Confident	21 Å²	21	56.2 Å²	56.2	11%	0.11	30%	0.296	C	S	.	.	H	α-helix	trans	-66	-27.8	176.1	-68.7	-175.9	0	0	0	113.4	F282 Y310 Y311 Y312 N322	F282-L314 HydrophobicContact CE1-CD1 4.32Å; F282-L314 HydrophobicContact CZ-CD1 3.93Å; Y310-L314 HydrophobicContact CD1-CD1 4.18Å; Y310-L314 HydrophobicContact CE1-CD1 3.46Å; Y310-L314 VanDerWaalsContact CE1-CD1 3.46Å; Y310-L314 HydrophobicContact CE1-CG 4.05Å; Y310-L314 PolarHBondContact O-N 3.03Å; Y310-L314 VanDerWaalsContact O-N 3.1Å; Y311-L314 HydrophobicContact CD1-CD1 4.27Å; Y311-L314 PolarHBondContact O-N 3.22Å; Y312-L314 VanDerWaalsContact C-N 3.31Å; Y312-L314 PolarHBondContact O-N 3.32Å; L314-N322 PolarHBondContact O-ND2 3.44Å
315	L	86	Confident	83.1	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-102.2	-2.5	-177.1	-63.7	175.8	0	0	0	113.6	Y311 Y312 F313 V324 K325 L331 I335 I633 F634	Y311-L315 WeakPolarHBondContact O-CG 3.46Å; Y311-L315 PolarHBondContact O-N 3.02Å; Y312-L315 CarbonylContact O-C 3.54Å; Y312-L315 PolarHBondContact O-N 3.03Å; F313-L315 VanDerWaalsContact C-N 3.25Å; F313-L315 PolarHBondContact O-N 3Å; L315-V324 HydrophobicContact CD2-CG1 4.16Å; L315-K325 WeakPolarHBondContact O-CE 3.26Å; L315-K325 PolarHBondContact O-NZ 3.37Å; L315-L331 HydrophobicContact CD2-CD1 3.74Å; L315-I335 HydrophobicContact CD1-CG1 4.03Å; L315-I335 HydrophobicContact CD2-CD1 4.34Å; L315-I335 HydrophobicContact CD2-CG1 4.04Å; L315-I633 HydrophobicContact CD1-CD1 4.11Å; L315-I633 HydrophobicContact CD1-CG2 4.09Å; L315-F634 HydrophobicContact CB-CE1 3.79Å; L315-F634 HydrophobicContact CB-CZ 4.03Å
316	Q	83.5	Confident	82.9	Confident	40 Å²	40	53.9 Å²	53.9	19%	0.187	28%	0.283	C	S	.	.	S	Bend	trans	-68.1	155.7	179.5	78.7	-171.3	-24.2	0	0	111.6	Y312 F313 Q318 K325	Y312-Q316 HydrophobicContact CD1-CB 4.36Å; Y312-Q316 HydrophobicContact CE1-CB 4.15Å; Y312-Q316 PolarHBondContact O-N 3.05Å; F313-Q316 VanDerWaalsContact CE2-NE2 3.27Å; F313-Q316 VanDerWaalsContact O-CG 3.29Å; F313-Q316 WeakPolarHBondContact O-CG 3.38Å; Q316-Q318 HydrophobicContact CG-CG 3.84Å; Q316-Q318 PolarHBondContact O-N 3.46Å; Q316-K325 WeakPolarHBondContact O-CE 3.3Å; Q316-K325 PolarHBondContact O-NZ 3.28Å; Q316-K325 VanDerWaalsContact O-NZ 3.09Å
317	V	76	Confident	82.5	Confident	102 Å²	102	51.3 Å²	51.3	62%	0.618	27%	0.268	S	S	*	.			trans	-70.7	129.8	174.9	-178.3	0	0	0	0	108.6
318	Q	70	Confident	82.1	Confident	79 Å²	79	50.7 Å²	50.7	37%	0.369	27%	0.265	S	S	.	.			trans	-136.3	150.5	177.9	-59.9	-176.3	13.8	0	0	108.4	Q316 G320	Q316-Q318 HydrophobicContact CG-CG 3.84Å; Q316-Q318 PolarHBondContact O-N 3.46Å; Q318-G320 PolarHBondContact O-N 3.47Å; Q318-G320 VanDerWaalsContact O-N 3.07Å
319	N	72.6	Confident	81.5	Confident	184 Å²	184	49.7 Å²	49.7	98%	0.984	26%	0.264	S	S	*	.	S	Bend	trans	-73.8	7.8	-177.9	-68.5	-15.6	0	0	0	114.1
320	G	74.8	Confident	80.9	Confident	51 Å²	51	47.7 Å²	47.7	53%	0.526	25%	0.253	S	S	.	.	S	Bend	trans	-126.2	172.6	-175.5	0	0	0	0	0	113.3	Q318 N322	Q318-G320 PolarHBondContact O-N 3.47Å; Q318-G320 VanDerWaalsContact O-N 3.07Å; G320-N322 PolarHBondContact O-N 3.19Å
321	F	79.6	Confident	80.5	Confident	168 Å²	168	46.8 Å²	46.8	74%	0.737	25%	0.249	S	C	*	.			trans	-62	120.8	174.7	174.7	-104.2	0	0	0	110.7	P323 S326	F321-P323 HydrophobicContact CE1-CB 3.88Å; F321-P323 HydrophobicContact CZ-CB 4.27Å; F321-S326 WeakPolarHBondContact CE2-OG 3.38Å
322	N	82.6	Confident	80	Confident	20 Å²	20	46.5 Å²	46.5	11%	0.107	25%	0.249	C	C	.	.			trans	-108.7	113.6	172.8	-177	-33.1	0	0	0	109	L314 G320 V324 K325 S326	L314-N322 PolarHBondContact O-ND2 3.44Å; G320-N322 PolarHBondContact O-N 3.19Å; N322-V324 VanDerWaalsContact C-N 3.28Å; N322-V324 PolarHBondContact O-N 3.46Å; N322-V324 WeakPolarHBondContact OD1-CA 3.46Å; N322-V324 VanDerWaalsContact OD1-CB 3.27Å; N322-V324 WeakPolarHBondContact OD1-CB 3.38Å; N322-V324 PolarHBondContact OD1-N 3.33Å; N322-K325 HydrophobicContact CB-CB 4.14Å; N322-K325 HydrophobicContact CB-CD 4.28Å; N322-K325 HydrophobicContact CB-CG 4.16Å; N322-K325 PolarHBondContact O-N 2.77Å; N322-K325 PolarHBondContact OD1-N 3.43Å; N322-S326 PolarHBondContact O-N 3.3Å; N322-S326 PolarHBondContact O-OG 2.91Å
323	P	80.9	Confident	79.3	Confident	47 Å²	47	42.7 Å²	42.7	31%	0.305	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-34.5	-177.7	25.1	-33.1	0	0	0	112.2	F281 F321 S326 G327	F281-P323 WeakPolarHBondContact CD1-O 3.22Å; F281-P323 VanDerWaalsContact CE1-O 3.26Å; F281-P323 WeakPolarHBondContact CE1-O 3.44Å; F321-P323 HydrophobicContact CE1-CB 3.88Å; F321-P323 HydrophobicContact CZ-CB 4.27Å; P323-S326 PolarHBondContact O-N 2.72Å; P323-G327 PolarHBondContact O-N 3.35Å
324	V	82.8	Confident	79.1	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.024	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-52.4	178.5	-176.3	0	0	0	0	109.3	F281 L315 N322 S326 G327 L331	F281-V324 HydrophobicContact CB-CG2 3.99Å; F281-V324 HydrophobicContact CD1-CG2 4.49Å; F281-V324 HydrophobicContact CD2-CG1 4.41Å; F281-V324 HydrophobicContact CD2-CG2 4.38Å; F281-V324 HydrophobicContact CE2-CG1 4.45Å; F281-V324 HydrophobicContact CG-CB 4.48Å; F281-V324 HydrophobicContact CG-CG2 4.05Å; L315-V324 HydrophobicContact CD2-CG1 4.16Å; N322-V324 VanDerWaalsContact C-N 3.28Å; N322-V324 PolarHBondContact O-N 3.46Å; N322-V324 WeakPolarHBondContact OD1-CA 3.46Å; N322-V324 VanDerWaalsContact OD1-CB 3.27Å; N322-V324 WeakPolarHBondContact OD1-CB 3.38Å; N322-V324 PolarHBondContact OD1-N 3.33Å; V324-S326 PolarHBondContact O-N 3.07Å; V324-G327 PolarHBondContact O-N 3.29Å; V324-G327 VanDerWaalsContact O-N 3.07Å; V324-L331 HydrophobicContact CG1-CD1 3.66Å; V324-L331 WeakPolarHBondContact O-CB 3.36Å; V324-L331 WeakPolarHBondContact O-CD1 3.31Å
325	K	82.3	Confident	78.9	Confident	18 Å²	18	37.4 Å²	37.4	8%	0.078	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-64.2	-21.7	179.4	-67	-170.1	175.9	-147.3	0	114.4	L315 Q316 N322 G327 R432 D434	L315-K325 WeakPolarHBondContact O-CE 3.26Å; L315-K325 PolarHBondContact O-NZ 3.37Å; Q316-K325 WeakPolarHBondContact O-CE 3.3Å; Q316-K325 PolarHBondContact O-NZ 3.28Å; Q316-K325 VanDerWaalsContact O-NZ 3.09Å; N322-K325 HydrophobicContact CB-CB 4.14Å; N322-K325 HydrophobicContact CB-CD 4.28Å; N322-K325 HydrophobicContact CB-CG 4.16Å; N322-K325 PolarHBondContact O-N 2.77Å; N322-K325 PolarHBondContact OD1-N 3.43Å; K325-G327 VanDerWaalsContact C-N 3.29Å; K325-R432 WeakPolarHBondContact O-CD 3.12Å; K325-D434 IonicContact NZ-OD2 3.06Å; K325-D434 PolarHBondContact NZ-OD2 3.02Å
326	S	80.8	Confident	78.5	Confident	27 Å²	27	37.4 Å²	37.4	19%	0.189	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-85.4	-4	179	-56.6	0	0	0	0	112.9	F321 N322 P323 V324 G328 K427	F321-S326 WeakPolarHBondContact CE2-OG 3.38Å; N322-S326 PolarHBondContact O-N 3.3Å; N322-S326 PolarHBondContact O-OG 2.91Å; P323-S326 PolarHBondContact O-N 2.72Å; V324-S326 PolarHBondContact O-N 3.07Å; S326-G328 PolarHBondContact O-N 3.34Å; S326-K427 WeakPolarHBondContact O-CE 3.27Å; S326-K427 PolarHBondContact O-NZ 2.63Å
327	G	76.8	Confident	78.2	Confident	3 Å²	3	35.7 Å²	35.7	3%	0.031	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-72.2	-15.1	-173.4	0	0	0	0	0	116.9	P323 V324 K325 L330	P323-G327 PolarHBondContact O-N 3.35Å; V324-G327 PolarHBondContact O-N 3.29Å; V324-G327 VanDerWaalsContact O-N 3.07Å; K325-G327 VanDerWaalsContact C-N 3.29Å; G327-L330 WeakPolarHBondContact O-CB 3.14Å; G327-L330 PolarHBondContact O-N 2.76Å; G327-L330 VanDerWaalsContact O-N 3.08Å
328	G	79.5	Confident	78.6	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.173	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	-120.5	-177.8	0	0	0	0	0	112.2	S326 L330 L331 E332 D431	S326-G328 PolarHBondContact O-N 3.34Å; G328-L330 PolarHBondContact O-N 3.44Å; G328-L330 VanDerWaalsContact O-N 3.15Å; G328-L331 WeakPolarHBondContact O-CA 3.43Å; G328-L331 WeakPolarHBondContact O-CB 3.47Å; G328-L331 PolarHBondContact O-N 2.98Å; G328-E332 PolarHBondContact O-N 2.78Å; G328-D431 VanDerWaalsContact CA-OD1 3.3Å; G328-D431 WeakPolarHBondContact CA-OD1 3.22Å
329	P	73.6	Confident	79.2	Confident	29 Å²	29	27.2 Å²	27.2	19%	0.188	16%	0.156	C	C	.	.	H	α-helix	trans	-56.8	-32.2	177	-26.6	36.2	0	0	0	114.2	T110 Y138 L331 E332 Q333 D431	T110-P329 HydrophobicContact CG2-CB 4.41Å; Y138-P329 HydrophobicContact CE1-CB 3.81Å; Y138-P329 HydrophobicContact CE1-CG 4.32Å; P329-L331 VanDerWaalsContact C-N 3.31Å; P329-E332 PolarHBondContact O-N 2.86Å; P329-Q333 PolarHBondContact O-N 3.36Å; P329-D431 WeakPolarHBondContact CD-OD1 3.4Å
330	L	75.1	Confident	79.3	Confident	0 Å²	0	19.6 Å²	19.6	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-70	-29.9	176.3	-172.1	63.5	0	0	0	112.2	N113 Y278 I280 F281 G327 G328 H334	N113-L330 HydrophobicContact CB-CD1 3.8Å; N113-L330 HydrophobicContact CB-CD2 3.84Å; Y278-L330 HydrophobicContact CD1-CD1 4.06Å; Y278-L330 HydrophobicContact CD1-CG 4.45Å; Y278-L330 HydrophobicContact CE1-CD1 4.22Å; I280-L330 HydrophobicContact CB-CD2 4.26Å; I280-L330 HydrophobicContact CG2-CD2 4.18Å; F281-L330 HydrophobicContact CE1-CD2 3.96Å; F281-L330 HydrophobicContact CE1-CG 4.32Å; F281-L330 HydrophobicContact CE2-CD2 4.09Å; F281-L330 HydrophobicContact CE2-CG 3.78Å; F281-L330 HydrophobicContact CZ-CB 3.91Å; F281-L330 HydrophobicContact CZ-CD2 3.66Å; F281-L330 HydrophobicContact CZ-CG 3.52Å; G327-L330 WeakPolarHBondContact O-CB 3.14Å; G327-L330 PolarHBondContact O-N 2.76Å; G327-L330 VanDerWaalsContact O-N 3.08Å; G328-L330 PolarHBondContact O-N 3.44Å; G328-L330 VanDerWaalsContact O-N 3.15Å; L330-H334 WeakPolarHBondContact O-CB 3.44Å; L330-H334 PolarHBondContact O-N 3.05Å
331	L	81.5	Confident	79.5	Confident	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.7	-47.1	172.7	168.8	65.5	0	0	0	110	L315 V324 G328 P329 Q333 H334 I335 D431	L315-L331 HydrophobicContact CD2-CD1 3.74Å; V324-L331 HydrophobicContact CG1-CD1 3.66Å; V324-L331 WeakPolarHBondContact O-CB 3.36Å; V324-L331 WeakPolarHBondContact O-CD1 3.31Å; G328-L331 WeakPolarHBondContact O-CA 3.43Å; G328-L331 WeakPolarHBondContact O-CB 3.47Å; G328-L331 PolarHBondContact O-N 2.98Å; P329-L331 VanDerWaalsContact C-N 3.31Å; L331-Q333 VanDerWaalsContact C-N 3.31Å; L331-Q333 PolarHBondContact O-N 3.35Å; L331-H334 WeakPolarHBondContact O-CB 3.29Å; L331-H334 PolarHBondContact O-N 3.31Å; L331-H334 VanDerWaalsContact O-N 3.12Å; L331-I335 HydrophobicContact CD1-CD1 3.59Å; L331-I335 HydrophobicContact CD1-CG1 3.82Å; L331-I335 HydrophobicContact CD2-CD1 4.27Å; L331-I335 HydrophobicContact CG-CD1 3.57Å; L331-I335 HydrophobicContact CG-CG1 4.25Å; L331-I335 VanDerWaalsContact O-CG1 3.24Å; L331-I335 WeakPolarHBondContact O-CG1 3.41Å; L331-I335 PolarHBondContact O-N 3.07Å; L331-D431 WeakPolarHBondContact CD2-O 3.47Å
332	E	79	Confident	79.5	Confident	4 Å²	4	10.1 Å²	10.1	2%	0.019	6%	0.061	C	C	.	.	H	α-helix	trans	-56.4	-47	177.3	-68.4	-170.7	-148.3	0	0	111.5	Y138 C139 F140 G328 P329 H334 I335 V336 P433 A626	Y138-E332 WeakPolarHBondContact CD1-OE1 3.24Å; C139-E332 WeakPolarHBondContact CA-OE2 3.48Å; F140-E332 HydrophobicContact CB-CB 3.81Å; F140-E332 PolarHBondContact N-OE2 3.33Å; G328-E332 PolarHBondContact O-N 2.78Å; P329-E332 PolarHBondContact O-N 2.86Å; E332-H334 VanDerWaalsContact C-N 3.34Å; E332-H334 PolarHBondContact O-N 3.13Å; E332-I335 PolarHBondContact O-N 3.01Å; E332-V336 WeakPolarHBondContact O-CG2 3.39Å; E332-V336 PolarHBondContact O-N 3.19Å; E332-P433 HydrophobicContact CG-CG 4.17Å; E332-A626 HydrophobicContact CB-CB 3.75Å; E332-A626 HydrophobicContact CG-CB 3.73Å
333	Q	74.7	Confident	79.2	Confident	9 Å²	9	10.8 Å²	10.8	4%	0.042	6%	0.064	C	C	.	.	H	α-helix	trans	-58	-47	175.4	-179.9	-179.8	-25	0	0	111.7	F140 Y278 P329 L331 I335 V336 D337	F140-Q333 HydrophobicContact CD1-CB 4.09Å; F140-Q333 HydrophobicContact CD1-CG 4.49Å; F140-Q333 HydrophobicContact CD2-CB 4.3Å; F140-Q333 HydrophobicContact CE1-CB 3.94Å; F140-Q333 HydrophobicContact CE1-CG 3.84Å; F140-Q333 HydrophobicContact CE2-CB 4.16Å; F140-Q333 HydrophobicContact CE2-CG 4.09Å; F140-Q333 HydrophobicContact CG-CB 4.26Å; F140-Q333 HydrophobicContact CZ-CB 3.99Å; F140-Q333 HydrophobicContact CZ-CG 3.62Å; Y278-Q333 HydrophobicContact CE1-CG 4.1Å; Y278-Q333 PolarHBondContact OH-O 3.23Å; P329-Q333 PolarHBondContact O-N 3.36Å; L331-Q333 VanDerWaalsContact C-N 3.31Å; L331-Q333 PolarHBondContact O-N 3.35Å; Q333-I335 VanDerWaalsContact C-N 3.33Å; Q333-I335 PolarHBondContact O-N 2.92Å; Q333-V336 PolarHBondContact O-N 3.1Å; Q333-D337 VanDerWaalsContact O-CB 3.31Å; Q333-D337 WeakPolarHBondContact O-CB 3.23Å; Q333-D337 PolarHBondContact O-N 3.03Å
334	H	81.3	Confident	78.8	Confident	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-60.7	-41.6	178.2	172.2	-87.3	0	0	0	112.3	K274 Y278 F281 L330 L331 E332 S338	K274-H334 WeakPolarHBondContact CE-CD2 3.1Å; K274-H334 WeakPolarHBondContact CE-NE2 3.31Å; Y278-H334 HydrophobicContact CD1-CB 4.04Å; Y278-H334 AromaticContact CD2-CD2 3.87Å; Y278-H334 HydrophobicContact CE1-CB 3.79Å; Y278-H334 AromaticContact CG-CD2 3.96Å; F281-H334 HydrophobicContact CD2-CB 4.25Å; F281-H334 HydrophobicContact CE2-CB 3.71Å; L330-H334 WeakPolarHBondContact O-CB 3.44Å; L330-H334 PolarHBondContact O-N 3.05Å; L331-H334 WeakPolarHBondContact O-CB 3.29Å; L331-H334 PolarHBondContact O-N 3.31Å; L331-H334 VanDerWaalsContact O-N 3.12Å; E332-H334 VanDerWaalsContact C-N 3.34Å; E332-H334 PolarHBondContact O-N 3.13Å; H334-S338 VanDerWaalsContact O-CB 3.23Å; H334-S338 WeakPolarHBondContact O-CB 3.44Å; H334-S338 PolarHBondContact O-N 2.53Å; H334-S338 PolarHBondContact O-OG 2.86Å
335	I	83.7	Confident	78.5	Confident	0 Å²	0	12 Å²	12	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-66.3	-50	179.6	-67.5	163	0	0	0	110.5	L315 L331 E332 Q333 D337 S338 C339 P433 A629 V630 I633	L315-I335 HydrophobicContact CD1-CG1 4.03Å; L315-I335 HydrophobicContact CD2-CD1 4.34Å; L315-I335 HydrophobicContact CD2-CG1 4.04Å; L331-I335 HydrophobicContact CD1-CD1 3.59Å; L331-I335 HydrophobicContact CD1-CG1 3.82Å; L331-I335 HydrophobicContact CD2-CD1 4.27Å; L331-I335 HydrophobicContact CG-CD1 3.57Å; L331-I335 HydrophobicContact CG-CG1 4.25Å; L331-I335 VanDerWaalsContact O-CG1 3.24Å; L331-I335 WeakPolarHBondContact O-CG1 3.41Å; L331-I335 PolarHBondContact O-N 3.07Å; E332-I335 PolarHBondContact O-N 3.01Å; Q333-I335 VanDerWaalsContact C-N 3.33Å; Q333-I335 PolarHBondContact O-N 2.92Å; I335-D337 PolarHBondContact O-N 3.34Å; I335-S338 WeakPolarHBondContact O-CB 3.4Å; I335-S338 PolarHBondContact O-N 2.86Å; I335-S338 VanDerWaalsContact O-N 3.16Å; I335-C339 WeakPolarHBondContact O-CB 3.1Å; I335-C339 PolarHBondContact O-N 3.47Å; I335-P433 HydrophobicContact CD1-CG 3.52Å; I335-A629 HydrophobicContact CG2-CB 3.6Å; I335-V630 HydrophobicContact CB-CG2 4.41Å; I335-V630 HydrophobicContact CD1-CG2 3.54Å; I335-V630 HydrophobicContact CG1-CG2 4.15Å; I335-V630 HydrophobicContact CG2-CB 4.34Å; I335-V630 HydrophobicContact CG2-CG2 3.44Å; I335-V630 VanDerWaalsContact CG2-CG2 3.44Å; I335-I633 HydrophobicContact CG2-CD1 3.96Å
336	V	77.3	Confident	78.1	Confident	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.2	-46	-178.6	-176.7	0	0	0	0	110.2	F140 I142 E332 Q333 S338 C339 V340 V624 A626 A629	F140-V336 HydrophobicContact CD1-CB 4.19Å; F140-V336 HydrophobicContact CD1-CG2 4.1Å; F140-V336 HydrophobicContact CE1-CB 4.35Å; I142-V336 HydrophobicContact CB-CG1 4.23Å; I142-V336 HydrophobicContact CD1-CB 4.26Å; I142-V336 HydrophobicContact CD1-CG1 3.68Å; I142-V336 HydrophobicContact CG1-CG1 4.08Å; E332-V336 WeakPolarHBondContact O-CG2 3.39Å; E332-V336 PolarHBondContact O-N 3.19Å; Q333-V336 PolarHBondContact O-N 3.1Å; V336-S338 VanDerWaalsContact C-N 3.31Å; V336-S338 PolarHBondContact O-N 3.24Å; V336-C339 PolarHBondContact O-N 2.95Å; V336-V340 HydrophobicContact CG1-CG2 4.37Å; V336-V340 WeakPolarHBondContact O-CG2 3.39Å; V336-V340 PolarHBondContact O-N 3.03Å; V336-V624 HydrophobicContact CG1-CB 4.06Å; V336-V624 HydrophobicContact CG1-CG1 4.09Å; V336-A626 HydrophobicContact CG2-CB 4.07Å; V336-A629 HydrophobicContact CG2-CB 4.26Å
337	D	78.3	Confident	77.4	Confident	4 Å²	4	16 Å²	16	2%	0.021	8%	0.079	C	C	.	.	H	α-helix	trans	-58.3	-42.3	174.3	173.6	52.6	0	0	0	112.1	F125 K274 Y278 Q333 I335 K341	F125-D337 HydrophobicContact CZ-CB 4.3Å; K274-D337 IonicContact NZ-OD2 3.37Å; K274-D337 PolarHBondContact NZ-OD2 3.32Å; Y278-D337 WeakPolarHBondContact CE2-OD2 3.43Å; Y278-D337 VanDerWaalsContact OH-CB 3.23Å; Y278-D337 WeakPolarHBondContact OH-CB 3.33Å; Y278-D337 PolarHBondContact OH-OD2 3.37Å; Q333-D337 VanDerWaalsContact O-CB 3.31Å; Q333-D337 WeakPolarHBondContact O-CB 3.23Å; Q333-D337 PolarHBondContact O-N 3.03Å; I335-D337 PolarHBondContact O-N 3.34Å; D337-K341 WeakPolarHBondContact O-CB 3.34Å; D337-K341 VanDerWaalsContact O-CG 3.31Å; D337-K341 WeakPolarHBondContact O-CG 3.39Å; D337-K341 PolarHBondContact O-N 3.16Å; D337-K341 WeakPolarHBondContact OD1-CE 3.45Å; D337-K341 IonicContact OD1-NZ 2.72Å; D337-K341 PolarHBondContact OD1-NZ 3.37Å; D337-K341 IonicContact OD2-NZ 3.49Å; D337-K341 PolarHBondContact OD2-NZ 3.37Å
338	S	83.2	Confident	76.9	Confident	1 Å²	1	18 Å²	18	1%	0.007	9%	0.089	C	C	.	.	H	α-helix	trans	-62.1	-45.3	176.8	-59.9	0	0	0	0	112.2	K274 H334 I335 V336 K341 V342	K274-S338 WeakPolarHBondContact CE-OG 3.23Å; K274-S338 PolarHBondContact NZ-OG 2.95Å; H334-S338 VanDerWaalsContact O-CB 3.23Å; H334-S338 WeakPolarHBondContact O-CB 3.44Å; H334-S338 PolarHBondContact O-N 2.53Å; H334-S338 PolarHBondContact O-OG 2.86Å; I335-S338 WeakPolarHBondContact O-CB 3.4Å; I335-S338 PolarHBondContact O-N 2.86Å; I335-S338 VanDerWaalsContact O-N 3.16Å; V336-S338 VanDerWaalsContact C-N 3.31Å; V336-S338 PolarHBondContact O-N 3.24Å; S338-K341 PolarHBondContact O-N 3.24Å; S338-V342 WeakPolarHBondContact O-CG2 2.86Å; S338-V342 PolarHBondContact O-N 2.79Å
339	C	82.1	Confident	76.2	Confident	3 Å²	3	22.9 Å²	22.9	2%	0.02	12%	0.115	C	C	.	.	H	α-helix	trans	-65.5	-45.3	-179.5	-172.3	0	0	0	0	111.6	I335 V336 K341 V342 Q343 A629 I633	I335-C339 WeakPolarHBondContact O-CB 3.1Å; I335-C339 PolarHBondContact O-N 3.47Å; V336-C339 PolarHBondContact O-N 2.95Å; C339-K341 VanDerWaalsContact C-N 3.32Å; C339-K341 PolarHBondContact O-N 2.91Å; C339-V342 PolarHBondContact O-N 3.2Å; C339-Q343 WeakPolarHBondContact O-CG 3.47Å; C339-Q343 PolarHBondContact O-N 3.43Å; C339-Q343 PolarHBondContact SG-NE2 3.23Å; C339-A629 HydrophobicContact CB-CB 3.53Å; C339-I633 HydrophobicContact CB-CD1 4.19Å; C339-I633 HydrophobicContact CB-CG1 4.27Å
340	V	75.3	Confident	75.5	Confident	24 Å²	24	24.5 Å²	24.5	15%	0.145	12%	0.12	C	C	.	.	H	α-helix	trans	-61.5	-41.6	177.3	173.5	0	0	0	0	110.9	V146 V336 V342 Q343 Q344 V624	V146-V340 HydrophobicContact CG2-CG1 4.41Å; V336-V340 HydrophobicContact CG1-CG2 4.37Å; V336-V340 WeakPolarHBondContact O-CG2 3.39Å; V336-V340 PolarHBondContact O-N 3.03Å; V340-V342 PolarHBondContact O-N 2.93Å; V340-Q343 PolarHBondContact O-N 3.12Å; V340-Q344 WeakPolarHBondContact O-CB 3.39Å; V340-Q344 PolarHBondContact O-N 3.41Å; V340-V624 HydrophobicContact CG2-CG2 4.43Å
341	K	79.4	Confident	74.3	Confident	10 Å²	10	28.3 Å²	28.3	4%	0.043	14%	0.137	C	C	.	.	H	α-helix	trans	-61.3	-43.3	174.6	-77.1	172.1	174.5	159.3	0	112.7	Q307 D337 S338 C339 Q343 Q344 N345	Q307-K341 PolarHBondContact OE1-O 3.03Å; D337-K341 WeakPolarHBondContact O-CB 3.34Å; D337-K341 VanDerWaalsContact O-CG 3.31Å; D337-K341 WeakPolarHBondContact O-CG 3.39Å; D337-K341 PolarHBondContact O-N 3.16Å; D337-K341 WeakPolarHBondContact OD1-CE 3.45Å; D337-K341 IonicContact OD1-NZ 2.72Å; D337-K341 PolarHBondContact OD1-NZ 3.37Å; D337-K341 IonicContact OD2-NZ 3.49Å; D337-K341 PolarHBondContact OD2-NZ 3.37Å; S338-K341 PolarHBondContact O-N 3.24Å; C339-K341 VanDerWaalsContact C-N 3.32Å; C339-K341 PolarHBondContact O-N 2.91Å; K341-Q343 PolarHBondContact O-N 3.49Å; K341-Q344 PolarHBondContact O-N 3.33Å; K341-N345 WeakPolarHBondContact O-CB 3.3Å; K341-N345 PolarHBondContact O-N 3.5Å
342	V	80.2	Confident	72.4	Confident	10 Å²	10	37.4 Å²	37.4	6%	0.061	17%	0.172	C	C	.	.	H	α-helix	trans	-62.3	-43.1	175.5	170.5	0	0	0	0	111.3	Q307 K308 Y311 S338 C339 V340 N345 R346	Q307-V342 HydrophobicContact CB-CG2 4.16Å; Q307-V342 HydrophobicContact CG-CG2 3.9Å; Q307-V342 VanDerWaalsContact OE1-CA 3.29Å; K308-V342 HydrophobicContact CB-CG1 4.01Å; K308-V342 HydrophobicContact CB-CG2 4.34Å; K308-V342 HydrophobicContact CG-CG1 4.45Å; Y311-V342 HydrophobicContact CD2-CG2 3.65Å; Y311-V342 HydrophobicContact CE2-CG2 3.88Å; S338-V342 WeakPolarHBondContact O-CG2 2.86Å; S338-V342 PolarHBondContact O-N 2.79Å; C339-V342 PolarHBondContact O-N 3.2Å; V340-V342 PolarHBondContact O-N 2.93Å; V342-N345 PolarHBondContact O-N 3.42Å; V342-R346 WeakPolarHBondContact O-CG 3.12Å; V342-R346 PolarHBondContact O-N 2.71Å; V342-R346 VanDerWaalsContact O-N 3.09Å
343	Q	75.3	Confident	70.7	Confident	34 Å²	34	46 Å²	46	16%	0.159	21%	0.206	C	C	.	.	H	α-helix	trans	-65.5	-44.9	178.1	-69.9	-178.3	29.6	0	0	111.5	C339 V340 K341 N345 R346 L347	C339-Q343 WeakPolarHBondContact O-CG 3.47Å; C339-Q343 PolarHBondContact O-N 3.43Å; C339-Q343 PolarHBondContact SG-NE2 3.23Å; V340-Q343 PolarHBondContact O-N 3.12Å; K341-Q343 PolarHBondContact O-N 3.49Å; Q343-N345 PolarHBondContact O-N 2.98Å; Q343-R346 PolarHBondContact O-N 3.05Å; Q343-L347 WeakPolarHBondContact O-CG 3.44Å; Q343-L347 PolarHBondContact O-N 3.32Å
344	Q	72.5	Confident	69.3	Low	58 Å²	58	49 Å²	49	27%	0.271	22%	0.219	S	C	.	.	H	α-helix	trans	-60.7	-43.8	176.5	-174.4	62.7	53.6	0	0	111.7	V340 K341 R346 L347 N348	V340-Q344 WeakPolarHBondContact O-CB 3.39Å; V340-Q344 PolarHBondContact O-N 3.41Å; K341-Q344 PolarHBondContact O-N 3.33Å; Q344-R346 VanDerWaalsContact C-N 3.34Å; Q344-R346 PolarHBondContact O-N 3.45Å; Q344-L347 WeakPolarHBondContact O-CB 3.32Å; Q344-L347 PolarHBondContact O-N 2.86Å; Q344-L347 VanDerWaalsContact O-N 3.14Å; Q344-N348 PolarHBondContact NE2-OD1 2.93Å; Q344-N348 VanDerWaalsContact O-CG 3.24Å; Q344-N348 PolarHBondContact O-N 2.62Å; Q344-N348 PolarHBondContact O-OD1 3.12Å
345	N	75.7	Confident	67.7	Low	19 Å²	19	53.2 Å²	53.2	10%	0.102	25%	0.254	C	S	.	.	H	α-helix	trans	-63.4	-40	178	-80	-14.6	0	0	0	112.5	I269 Q307 K341 V342 Q343 L347 N348 D349	I269-N345 WeakPolarHBondContact CG2-ND2 3.43Å; I269-N345 WeakPolarHBondContact CG2-OD1 3.19Å; Q307-N345 VanDerWaalsContact CD-ND2 3.25Å; Q307-N345 PolarHBondContact NE2-ND2 2.75Å; Q307-N345 PolarHBondContact OE1-ND2 2.87Å; K341-N345 WeakPolarHBondContact O-CB 3.3Å; K341-N345 PolarHBondContact O-N 3.5Å; V342-N345 PolarHBondContact O-N 3.42Å; Q343-N345 PolarHBondContact O-N 2.98Å; N345-L347 VanDerWaalsContact C-N 3.3Å; N345-L347 PolarHBondContact O-N 3.04Å; N345-N348 PolarHBondContact O-N 2.88Å; N345-D349 PolarHBondContact O-N 2.96Å
346	R	74.2	Confident	66	Low	87 Å²	87	59.8 Å²	59.8	33%	0.328	29%	0.289	S	S	.	.	H	α-helix	trans	-62	-36.8	173	-73.4	173.2	172.3	-179.7	-2.7	112.8	V342 Q343 Q344 H350	V342-R346 WeakPolarHBondContact O-CG 3.12Å; V342-R346 PolarHBondContact O-N 2.71Å; V342-R346 VanDerWaalsContact O-N 3.09Å; Q343-R346 PolarHBondContact O-N 3.05Å; Q344-R346 VanDerWaalsContact C-N 3.34Å; Q344-R346 PolarHBondContact O-N 3.45Å; R346-H350 VanDerWaalsContact O-CG 3.3Å; R346-H350 PolarHBondContact O-N 3.17Å; R346-H350 VanDerWaalsContact O-N 3.07Å; R346-H350 PolarHBondContact O-ND1 3.47Å
347	L	67.4	Low	64.5	Low	41 Å²	41	61 Å²	61	22%	0.215	30%	0.295	C	S	.	.	H	α-helix	trans	-66.3	-44.2	175.3	-71.3	170.9	0	0	0	111.1	Q343 Q344 N345 D349 H350 Q351 L376 H380	Q343-L347 WeakPolarHBondContact O-CG 3.44Å; Q343-L347 PolarHBondContact O-N 3.32Å; Q344-L347 WeakPolarHBondContact O-CB 3.32Å; Q344-L347 PolarHBondContact O-N 2.86Å; Q344-L347 VanDerWaalsContact O-N 3.14Å; N345-L347 VanDerWaalsContact C-N 3.3Å; N345-L347 PolarHBondContact O-N 3.04Å; L347-D349 VanDerWaalsContact C-N 3.31Å; L347-D349 PolarHBondContact O-N 2.86Å; L347-H350 PolarHBondContact O-N 3.34Å; L347-H350 VanDerWaalsContact O-N 3.14Å; L347-Q351 WeakPolarHBondContact O-CG 3.4Å; L347-Q351 PolarHBondContact O-N 3.39Å; L347-L376 HydrophobicContact CD2-CD1 3.63Å; L347-L376 HydrophobicContact CD2-CD2 3.5Å; L347-L376 HydrophobicContact CD2-CG 4.23Å; L347-H380 WeakPolarHBondContact CD2-CE1 3.43Å
348	N	66.3	Low	63.1	Low	45 Å²	45	65.6 Å²	65.6	24%	0.241	32%	0.32	C	S	.	.	H	α-helix	trans	-59.1	-44.3	176.6	-64.2	-15.5	0	0	0	110.5	Q344 N345 H350 Q351 W352	Q344-N348 PolarHBondContact NE2-OD1 2.93Å; Q344-N348 VanDerWaalsContact O-CG 3.24Å; Q344-N348 PolarHBondContact O-N 2.62Å; Q344-N348 PolarHBondContact O-OD1 3.12Å; N345-N348 PolarHBondContact O-N 2.88Å; N348-H350 VanDerWaalsContact C-N 3.33Å; N348-H350 PolarHBondContact O-N 3.15Å; N348-Q351 PolarHBondContact O-N 3.21Å; N348-W352 PolarHBondContact O-NE1 2.82Å
349	D	65.1	Low	61.4	Low	103 Å²	103	73.3 Å²	73.3	55%	0.551	35%	0.354	S	S	*	.	H	α-helix	trans	-62.6	-37	176	-67.9	-17.4	0	0	0	112.5	N345 L347 W352	N345-D349 PolarHBondContact O-N 2.96Å; L347-D349 VanDerWaalsContact C-N 3.31Å; L347-D349 PolarHBondContact O-N 2.86Å; D349-W352 PolarHBondContact O-N 3.17Å
350	H	57.3	Low	59.8	Low	63 Å²	63	76.4 Å²	76.4	29%	0.292	37%	0.372	S	S	.	.	H	α-helix	trans	-73.7	-29.4	178.8	-72.1	2.2	0	0	0	113.7	R346 L347 N348 W352 Y353 L376	R346-H350 VanDerWaalsContact O-CG 3.3Å; R346-H350 PolarHBondContact O-N 3.17Å; R346-H350 VanDerWaalsContact O-N 3.07Å; R346-H350 PolarHBondContact O-ND1 3.47Å; L347-H350 PolarHBondContact O-N 3.34Å; L347-H350 VanDerWaalsContact O-N 3.14Å; N348-H350 VanDerWaalsContact C-N 3.33Å; N348-H350 PolarHBondContact O-N 3.15Å; H350-W352 PolarHBondContact O-N 3.17Å; H350-Y353 PolarHBondContact O-N 3.03Å; H350-L376 HydrophobicContact CB-CD2 4.48Å
351	Q	51.4	Low	58.6	Low	79 Å²	79	80.6 Å²	80.6	37%	0.369	39%	0.393	S	S	.	.	H	α-helix	trans	-62.5	-20.3	174.1	-73.4	-176.6	5.8	0	0	112.9	L347 N348 V374	L347-Q351 WeakPolarHBondContact O-CG 3.4Å; L347-Q351 PolarHBondContact O-N 3.39Å; N348-Q351 PolarHBondContact O-N 3.21Å; Q351-V374 HydrophobicContact CG-CG1 3.96Å; Q351-V374 HydrophobicContact CG-CG2 4.27Å
352	W	41.3	Very low	57.1	Low	192 Å²	192	84 Å²	84	73%	0.727	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-6.9	178.3	-67.8	103	0	0	0	114.8	N348 D349 H350 H354	N348-W352 PolarHBondContact O-NE1 2.82Å; D349-W352 PolarHBondContact O-N 3.17Å; H350-W352 PolarHBondContact O-N 3.17Å; W352-H354 PolarHBondContact O-CD2 3.42Å; W352-H354 PolarHBondContact O-N 3.3Å
353	Y	43.2	Very low	55.5	Low	184 Å²	184	88.9 Å²	88.9	72%	0.722	44%	0.444	S	S	*	.			trans	-74.2	66.9	170.9	-76.3	-85.7	0	0	0	110.4	H350 A355	H350-Y353 PolarHBondContact O-N 3.03Å; Y353-A355 VanDerWaalsContact C-N 3.3Å; Y353-A355 PolarHBondContact O-N 3.05Å
354	H	45.5	Very low	54.2	Low	71 Å²	71	93.5 Å²	93.5	33%	0.329	48%	0.475	S	S	.	.	H	α-helix	trans	-64.4	-29.5	179.2	-83.5	-88.1	0	0	0	113.1	W352 L356 N357 D358 K372	W352-H354 PolarHBondContact O-CD2 3.42Å; W352-H354 PolarHBondContact O-N 3.3Å; H354-L356 VanDerWaalsContact C-N 3.25Å; H354-L356 PolarHBondContact O-N 3.18Å; H354-L356 VanDerWaalsContact O-N 3.11Å; H354-N357 PolarHBondContact O-N 3.09Å; H354-D358 PolarHBondContact O-N 3.47Å; H354-D358 VanDerWaalsContact O-N 3.09Å; H354-K372 PolarHBondContact CE1-NZ 3.5Å
355	A	46.7	Very low	53	Low	89 Å²	89	101.4 Å²	101.4	74%	0.736	50%	0.502	S	S	*	.	H	α-helix	trans	-60.5	-29.1	-171.5	0	0	0	0	0	114.5	Y353	Y353-A355 VanDerWaalsContact C-N 3.3Å; Y353-A355 PolarHBondContact O-N 3.05Å
356	L	47.5	Very low	51.7	Low	138 Å²	138	103.1 Å²	103.1	72%	0.723	52%	0.519	S	S	*	.	H	α-helix	trans	-87.8	-27.4	176.1	-129.8	113.8	0	0	0	112.6	H354 F359 V360	H354-L356 VanDerWaalsContact C-N 3.25Å; H354-L356 PolarHBondContact O-N 3.18Å; H354-L356 VanDerWaalsContact O-N 3.11Å; L356-F359 PolarHBondContact O-N 2.8Å; L356-V360 PolarHBondContact O-N 2.86Å
357	N	45.8	Very low	50.4	Low	25 Å²	25	107.4 Å²	107.4	13%	0.134	55%	0.548	C	S	.	.	H	α-helix	trans	-69.9	-37.2	177.7	-108.1	-0.5	0	0	0	111.1	H354 F359 V360 L361 R373	H354-N357 PolarHBondContact O-N 3.09Å; N357-F359 PolarHBondContact O-N 2.8Å; N357-V360 PolarHBondContact O-N 2.71Å; N357-L361 HydrophobicContact CB-CD1 4.44Å; N357-L361 VanDerWaalsContact O-CB 3.29Å; N357-L361 WeakPolarHBondContact O-CB 3.4Å; N357-L361 WeakPolarHBondContact O-CG 3.23Å; N357-L361 PolarHBondContact O-N 2.7Å; N357-R373 PolarHBondContact ND2-O 3.34Å; N357-R373 VanDerWaalsContact ND2-O 3.16Å
358	D	49.6	Very low	49.4	Very low	102 Å²	102	106.9 Å²	106.9	55%	0.545	55%	0.553	S	S	.	*	H	α-helix	trans	-63.6	-32.3	178.2	-67.3	-14.4	0	0	0	112.1	H354 S362	H354-D358 PolarHBondContact O-N 3.47Å; H354-D358 VanDerWaalsContact O-N 3.09Å; D358-S362 PolarHBondContact O-N 3.4Å
359	F	47.7	Very low	48.3	Very low	163 Å²	163	110.5 Å²	110.5	72%	0.715	58%	0.579	S	S	*	*	H	α-helix	trans	-69.5	-42.8	174.1	-171.6	-99.5	0	0	0	112	L356 N357 S362	L356-F359 PolarHBondContact O-N 2.8Å; N357-F359 PolarHBondContact O-N 2.8Å; F359-S362 PolarHBondContact O-N 3.39Å; F359-S362 PolarHBondContact O-OG 3.38Å
360	V	49.6	Very low	47.2	Very low	67 Å²	67	112.2 Å²	112.2	41%	0.406	60%	0.596	S	S	.	*	H	α-helix	trans	-72.3	-33.7	178.4	178.4	0	0	0	0	111.9	L356 N357 S362 D363	L356-V360 PolarHBondContact O-N 2.86Å; N357-V360 PolarHBondContact O-N 2.71Å; V360-S362 VanDerWaalsContact C-N 3.26Å; V360-S362 PolarHBondContact O-N 3Å; V360-D363 WeakPolarHBondContact O-CB 3.49Å; V360-D363 PolarHBondContact O-N 3.09Å; V360-D363 VanDerWaalsContact O-N 3.14Å
361	L	48.5	Very low	46.7	Very low	112 Å²	112	112.4 Å²	112.4	59%	0.586	62%	0.615	S	S	*	*	H	α-helix	trans	-73.1	-16	177.7	-71.7	169.8	0	0	0	113.4	N357 D363	N357-L361 HydrophobicContact CB-CD1 4.44Å; N357-L361 VanDerWaalsContact O-CB 3.29Å; N357-L361 WeakPolarHBondContact O-CB 3.4Å; N357-L361 WeakPolarHBondContact O-CG 3.23Å; N357-L361 PolarHBondContact O-N 2.7Å; L361-D363 PolarHBondContact O-N 2.84Å
362	S	49.2	Very low	46.7	Very low	82 Å²	82	114.6 Å²	114.6	57%	0.573	62%	0.623	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	-18	168.3	76.3	0	0	0	0	112.6	D358 F359 V360 T364	D358-S362 PolarHBondContact O-N 3.4Å; F359-S362 PolarHBondContact O-N 3.39Å; F359-S362 PolarHBondContact O-OG 3.38Å; V360-S362 VanDerWaalsContact C-N 3.26Å; V360-S362 PolarHBondContact O-N 3Å; S362-T364 VanDerWaalsContact C-N 3.28Å; S362-T364 PolarHBondContact O-N 2.95Å
363	D	46.8	Very low	47.2	Very low	112 Å²	112	112.5 Å²	112.5	60%	0.599	62%	0.615	S	S	*	*			trans	-80.8	80.3	171.4	-156.7	2.7	0	0	0	110	V360 L361 R365	V360-D363 WeakPolarHBondContact O-CB 3.49Å; V360-D363 PolarHBondContact O-N 3.09Å; V360-D363 VanDerWaalsContact O-N 3.14Å; L361-D363 PolarHBondContact O-N 2.84Å; D363-R365 PolarHBondContact O-N 2.95Å
364	T	47.8	Very low	47.9	Very low	132 Å²	132	106.8 Å²	106.8	81%	0.81	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	15.1	-177.4	43.5	0	0	0	0	115.2	S362	S362-T364 VanDerWaalsContact C-N 3.28Å; S362-T364 PolarHBondContact O-N 2.95Å
365	R	46.2	Very low	48.6	Very low	223 Å²	223	107.3 Å²	107.3	84%	0.842	60%	0.603	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.5	7.4	-176.8	-71	-171	176	-171.7	1	115.8	D363 N367	D363-R365 PolarHBondContact O-N 2.95Å; R365-N367 PolarHBondContact O-N 2.67Å
366	A	49.3	Very low	49.4	Very low	56 Å²	56	105.4 Å²	105.4	46%	0.463	58%	0.581	S	S	.	*			trans	-90.1	86.7	179.9	0	0	0	0	0	111.7	G368	A366-G368 PolarHBondContact O-N 3.46Å
367	N	46.3	Very low	50.3	Low	176 Å²	176	104.6 Å²	104.6	94%	0.941	57%	0.573	S	S	*	*			trans	-65.7	48.7	159.3	-74.3	-12.6	0	0	0	111.3	R365	R365-N367 PolarHBondContact O-N 2.67Å
368	G	46.4	Very low	51.4	Low	31 Å²	31	104.6 Å²	104.6	32%	0.32	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-87.7	161.2	176.6	0	0	0	0	0	111.5	A366	A366-G368 PolarHBondContact O-N 3.46Å
369	P	43.8	Very low	52.3	Low	120 Å²	120	103 Å²	103	78%	0.779	57%	0.572	S	S	*	*	P	Polyproline II helix	trans	-55.7	145.5	-179.6	20.9	-30.8	0	0	0	111.5	G371	P369-G371 PolarHBondContact O-N 2.88Å; P369-G371 VanDerWaalsContact O-N 3.17Å
370	P	42.1	Very low	53.3	Low	140 Å²	140	96.1 Å²	96.1	91%	0.909	54%	0.542	S	S	*	.	S	Bend	trans	-56.1	121.2	179.7	21	-30.7	0	0	0	110.5
371	G	47	Very low	54	Low	66 Å²	66	95.7 Å²	95.7	68%	0.68	54%	0.541	S	S	*	.	S	Bend	trans	164.3	147.4	-179.1	0	0	0	0	0	112.7	P369 R373	P369-G371 PolarHBondContact O-N 2.88Å; P369-G371 VanDerWaalsContact O-N 3.17Å; G371-R373 PolarHBondContact O-N 3.37Å
372	K	50.5	Low	54.8	Low	126 Å²	126	91.7 Å²	91.7	55%	0.548	53%	0.526	S	S	.	.			trans	-72.3	113.9	176.5	-172.7	177.6	-179.8	-176.7	0	109.2	H354 V374	H354-K372 PolarHBondContact CE1-NZ 3.5Å; K372-V374 HydrophobicContact CG-CG2 4.49Å; K372-V374 PolarHBondContact O-N 3.24Å
373	R	51.4	Low	55.7	Low	147 Å²	147	88.1 Å²	88.1	56%	0.555	50%	0.502	S	S	*	.			trans	-65.9	119.8	171.7	-70.4	-178	179.5	-171	-1.8	109.5	N357 G371	N357-R373 PolarHBondContact ND2-O 3.34Å; N357-R373 VanDerWaalsContact ND2-O 3.16Å; G371-R373 PolarHBondContact O-N 3.37Å
374	V	57.7	Low	56.7	Low	64 Å²	64	87 Å²	87	39%	0.388	50%	0.501	S	S	.	.			trans	-114.1	117.6	175.2	179.3	0	0	0	0	108.7	Q351 K372 L376	Q351-V374 HydrophobicContact CG-CG1 3.96Å; Q351-V374 HydrophobicContact CG-CG2 4.27Å; K372-V374 HydrophobicContact CG-CG2 4.49Å; K372-V374 PolarHBondContact O-N 3.24Å; V374-L376 HydrophobicContact CG1-CD2 4.39Å
375	I	61.2	Low	57.7	Low	82 Å²	82	87.4 Å²	87.4	42%	0.421	49%	0.488	S	S	.	.			trans	-101	114.3	176.6	-65.3	175.3	0	0	0	108.8	R385	I375-R385 VanDerWaalsContact CG2-NH1 3.25Å; I375-R385 VanDerWaalsContact CG2-NH2 3.29Å
376	L	63.7	Low	59.1	Low	49 Å²	49	76.9 Å²	76.9	26%	0.257	45%	0.449	S	S	.	.			trans	-81	129.6	172.7	-63.6	178.2	0	0	0	110.7	L347 H350 V374 H380 R385	L347-L376 HydrophobicContact CD2-CD1 3.63Å; L347-L376 HydrophobicContact CD2-CD2 3.5Å; L347-L376 HydrophobicContact CD2-CG 4.23Å; H350-L376 HydrophobicContact CB-CD2 4.48Å; V374-L376 HydrophobicContact CG1-CD2 4.39Å; L376-H380 HydrophobicContact CB-CB 4.41Å; L376-R385 WeakPolarHBondContact O-CD 3.19Å
377	H	65.8	Low	60.3	Low	122 Å²	122	74.9 Å²	74.9	57%	0.565	43%	0.43	S	S	*	.			trans	-66.4	153.9	176	-173.4	-106.3	0	0	0	111.7	S379 H380	H377-S379 WeakPolarHBondContact ND1-CB 3.21Å; H377-S379 PolarHBondContact ND1-N 3.39Å; H377-S379 VanDerWaalsContact ND1-N 3.17Å; H377-S379 PolarHBondContact ND1-OG 3.19Å; H377-S379 PolarHBondContact O-N 2.82Å; H377-H380 VanDerWaalsContact O-CB 3.32Å; H377-H380 WeakPolarHBondContact O-CB 3.38Å; H377-H380 PolarHBondContact O-N 3.45Å
378	S	69.1	Low	61.8	Low	25 Å²	25	68.6 Å²	68.6	18%	0.175	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-17.9	179.9	67.3	0	0	0	0	113.6	H380 G386 R389	S378-H380 PolarHBondContact O-N 3.15Å; S378-G386 WeakPolarHBondContact O-CA 3.21Å; S378-R389 PolarHBondContact O-NH1 3.28Å; S378-R389 PolarHBondContact O-NH2 2.91Å; S378-R389 PolarHBondContact OG-NH1 2.88Å
379	S	68.1	Low	63.5	Low	68 Å²	68	70.2 Å²	70.2	48%	0.476	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-15.3	173	59.8	0	0	0	0	113.5	H377 P381	H377-S379 WeakPolarHBondContact ND1-CB 3.21Å; H377-S379 PolarHBondContact ND1-N 3.39Å; H377-S379 VanDerWaalsContact ND1-N 3.17Å; H377-S379 PolarHBondContact ND1-OG 3.19Å; H377-S379 PolarHBondContact O-N 2.82Å; S379-P381 WeakPolarHBondContact O-CD 3.34Å
380	H	68.1	Low	65.3	Low	18 Å²	18	65.9 Å²	65.9	8%	0.083	36%	0.364	C	S	.	.	S	Bend	trans	-68.4	113.6	176.7	-172.5	78.8	0	0	0	110.2	L347 L376 H377 S378 G382 G383	L347-H380 WeakPolarHBondContact CD2-CE1 3.43Å; L376-H380 HydrophobicContact CB-CB 4.41Å; H377-H380 VanDerWaalsContact O-CB 3.32Å; H377-H380 WeakPolarHBondContact O-CB 3.38Å; H377-H380 PolarHBondContact O-N 3.45Å; S378-H380 PolarHBondContact O-N 3.15Å; H380-G382 PolarHBondContact O-N 3.48Å; H380-G383 PolarHBondContact O-N 3.03Å; H380-G383 VanDerWaalsContact O-N 3.13Å
381	P	65.7	Low	67.2	Low	59 Å²	59	59.2 Å²	59.2	38%	0.383	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	124.9	-173.7	-23.2	34.9	0	0	0	112.3	S379 G383	S379-P381 WeakPolarHBondContact O-CD 3.34Å; P381-G383 VanDerWaalsContact C-N 3.25Å; P381-G383 PolarHBondContact O-N 3.04Å
382	G	65.5	Low	69	Low	27 Å²	27	60.1 Å²	60.1	28%	0.278	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.1	2.8	179.1	0	0	0	0	0	114.6	H380	H380-G382 PolarHBondContact O-N 3.48Å
383	G	66.7	Low	70.8	Confident	7 Å²	7	54.3 Å²	54.3	7%	0.072	28%	0.282	C	S	.	.			trans	-70.9	152.2	170.4	0	0	0	0	0	111.9	H380 P381 R385 G386 M387	H380-G383 PolarHBondContact O-N 3.03Å; H380-G383 VanDerWaalsContact O-N 3.13Å; P381-G383 VanDerWaalsContact C-N 3.25Å; P381-G383 PolarHBondContact O-N 3.04Å; G383-R385 VanDerWaalsContact C-N 3.33Å; G383-R385 PolarHBondContact O-N 3.25Å; G383-G386 WeakPolarHBondContact O-CA 3.42Å; G383-G386 PolarHBondContact O-N 3.19Å; G383-M387 PolarHBondContact O-N 2.81Å
384	P	67.5	Low	72.3	Confident	88 Å²	88	47.4 Å²	47.4	57%	0.571	26%	0.257	S	S	*	.	H	α-helix	trans	-53.8	-43.7	-177.5	-27.7	34.1	0	0	0	113.8	G386 M387 V388	P384-G386 VanDerWaalsContact C-N 3.32Å; P384-G386 PolarHBondContact O-N 3.06Å; P384-M387 PolarHBondContact O-N 3.06Å; P384-V388 WeakPolarHBondContact O-CG2 2.99Å; P384-V388 PolarHBondContact O-N 3.43Å
385	R	68.7	Low	73.6	Confident	142 Å²	142	45.9 Å²	45.9	54%	0.536	25%	0.246	S	C	.	.	H	α-helix	trans	-64.4	-35.9	177.5	-66.7	-168.8	-177.1	-162.5	-2.4	113	I375 L376 G383 R389	I375-R385 VanDerWaalsContact CG2-NH1 3.25Å; I375-R385 VanDerWaalsContact CG2-NH2 3.29Å; L376-R385 WeakPolarHBondContact O-CD 3.19Å; G383-R385 VanDerWaalsContact C-N 3.33Å; G383-R385 PolarHBondContact O-N 3.25Å; R385-R389 VanDerWaalsContact O-CB 3.28Å; R385-R389 WeakPolarHBondContact O-CB 3.47Å; R385-R389 PolarHBondContact O-N 2.85Å
386	G	75.9	Confident	74.8	Confident	2 Å²	2	43.8 Å²	43.8	2%	0.021	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-41.9	174.8	0	0	0	0	0	111.2	S378 G383 P384 R389 D390	S378-G386 WeakPolarHBondContact O-CA 3.21Å; G383-G386 WeakPolarHBondContact O-CA 3.42Å; G383-G386 PolarHBondContact O-N 3.19Å; P384-G386 VanDerWaalsContact C-N 3.32Å; P384-G386 PolarHBondContact O-N 3.06Å; G386-R389 WeakPolarHBondContact O-CB 3.5Å; G386-R389 PolarHBondContact O-N 2.99Å; G386-D390 WeakPolarHBondContact O-CB 3.23Å; G386-D390 PolarHBondContact O-N 3.14Å
387	M	76.1	Confident	75.9	Confident	13 Å²	13	41.6 Å²	41.6	6%	0.064	23%	0.23	C	C	.	.	H	α-helix	trans	-67.3	-42.8	178.1	-65.4	167.4	58.7	0	0	112.7	G383 P384 R389 D390 S391 I600 Y601 G603	G383-M387 PolarHBondContact O-N 2.81Å; P384-M387 PolarHBondContact O-N 3.06Å; M387-R389 VanDerWaalsContact C-N 3.32Å; M387-R389 PolarHBondContact O-N 2.83Å; M387-D390 PolarHBondContact O-N 3.17Å; M387-S391 WeakPolarHBondContact O-CB 3.41Å; M387-S391 PolarHBondContact O-N 3.28Å; M387-S391 PolarHBondContact O-OG 3.48Å; M387-I600 VanDerWaalsContact CE-O 3.3Å; M387-I600 WeakPolarHBondContact CE-O 3.32Å; M387-Y601 WeakPolarHBondContact CE-O 3.16Å; M387-G603 VanDerWaalsContact CE-N 3.28Å
388	V	76.7	Confident	76.8	Confident	45 Å²	45	36.1 Å²	36.1	27%	0.273	21%	0.205	S	C	.	.	H	α-helix	trans	-58.1	-47.5	172.3	174	0	0	0	0	110	P384 D390 S391 Q392 Y601	P384-V388 WeakPolarHBondContact O-CG2 2.99Å; P384-V388 PolarHBondContact O-N 3.43Å; V388-D390 PolarHBondContact O-N 3.46Å; V388-S391 PolarHBondContact O-N 3.28Å; V388-Q392 HydrophobicContact CG1-CG 4.42Å; V388-Q392 WeakPolarHBondContact O-CB 3.45Å; V388-Q392 WeakPolarHBondContact O-CG 3.34Å; V388-Q392 PolarHBondContact O-N 3.09Å; V388-Y601 HydrophobicContact CG2-CE1 3.88Å; V388-Y601 WeakPolarHBondContact CG2-OH 3.43Å
389	R	82.2	Confident	77.6	Confident	65 Å²	65	39.8 Å²	39.8	25%	0.245	22%	0.222	C	C	.	.	H	α-helix	trans	-57.9	-49.8	177.6	-173.3	-164.9	60.7	-145.6	-14.6	111.4	S378 R385 G386 M387 S391 Q392 D393 R647	S378-R389 PolarHBondContact O-NH1 3.28Å; S378-R389 PolarHBondContact O-NH2 2.91Å; S378-R389 PolarHBondContact OG-NH1 2.88Å; R385-R389 VanDerWaalsContact O-CB 3.28Å; R385-R389 WeakPolarHBondContact O-CB 3.47Å; R385-R389 PolarHBondContact O-N 2.85Å; G386-R389 WeakPolarHBondContact O-CB 3.5Å; G386-R389 PolarHBondContact O-N 2.99Å; M387-R389 VanDerWaalsContact C-N 3.32Å; M387-R389 PolarHBondContact O-N 2.83Å; R389-S391 VanDerWaalsContact C-N 3.25Å; R389-S391 PolarHBondContact O-N 3.42Å; R389-Q392 PolarHBondContact O-N 2.78Å; R389-D393 WeakPolarHBondContact O-CB 3.27Å; R389-D393 PolarHBondContact O-N 2.89Å; R389-R647 PolarHBondContact O-NH2 3.29Å
390	D	82.2	Confident	78.6	Confident	28 Å²	28	40 Å²	40	15%	0.15	23%	0.228	C	C	.	.	H	α-helix	trans	-65.5	-31.5	-177.9	-59.8	-19.1	0	0	0	111.5	G386 M387 V388 D393 A394 I600 R639	G386-D390 WeakPolarHBondContact O-CB 3.23Å; G386-D390 PolarHBondContact O-N 3.14Å; M387-D390 PolarHBondContact O-N 3.17Å; V388-D390 PolarHBondContact O-N 3.46Å; D390-D393 WeakPolarHBondContact O-CB 3.45Å; D390-D393 PolarHBondContact O-N 3.09Å; D390-A394 PolarHBondContact O-N 3.01Å; D390-I600 HydrophobicContact CB-CG2 3.8Å; D390-R639 VanDerWaalsContact OD2-CD 3.24Å; D390-R639 WeakPolarHBondContact OD2-CD 3.36Å; D390-R639 IonicContact OD2-CZ 3.54Å; D390-R639 IonicContact OD2-NE 2.78Å; D390-R639 PolarHBondContact OD2-NE 2.77Å; D390-R639 IonicContact OD2-NH1 3.93Å; D390-R639 PolarHBondContact OD2-NH1 3.17Å
391	S	81.5	Confident	79.5	Confident	0 Å²	0	41.9 Å²	41.9	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-71.9	-46.3	175.7	-57.5	0	0	0	0	111.9	M387 V388 R389 D393 A394 I395 L597 I600 Y601	M387-S391 WeakPolarHBondContact O-CB 3.41Å; M387-S391 PolarHBondContact O-N 3.28Å; M387-S391 PolarHBondContact O-OG 3.48Å; V388-S391 PolarHBondContact O-N 3.28Å; R389-S391 VanDerWaalsContact C-N 3.25Å; R389-S391 PolarHBondContact O-N 3.42Å; S391-D393 PolarHBondContact O-N 3.28Å; S391-A394 WeakPolarHBondContact O-CB 3.42Å; S391-A394 PolarHBondContact O-N 3.46Å; S391-I395 WeakPolarHBondContact O-CG1 3.37Å; S391-I395 PolarHBondContact O-N 3.5Å; S391-L597 WeakPolarHBondContact O-CD2 3.18Å; S391-I600 WeakPolarHBondContact OG-CG2 3.44Å; S391-Y601 WeakPolarHBondContact OG-CD2 3.46Å; S391-Y601 WeakPolarHBondContact OG-CE2 3.1Å
392	Q	85	Confident	80.2	Confident	86 Å²	86	44.8 Å²	44.8	40%	0.402	24%	0.243	S	C	.	.	H	α-helix	trans	-59	-36	171.4	-72.1	173.2	-14.1	0	0	111.5	V388 R389 I395 A396	V388-Q392 HydrophobicContact CG1-CG 4.42Å; V388-Q392 WeakPolarHBondContact O-CB 3.45Å; V388-Q392 WeakPolarHBondContact O-CG 3.34Å; V388-Q392 PolarHBondContact O-N 3.09Å; R389-Q392 PolarHBondContact O-N 2.78Å; Q392-I395 PolarHBondContact O-N 3.04Å; Q392-A396 WeakPolarHBondContact O-CB 3.1Å; Q392-A396 PolarHBondContact O-N 3.28Å
393	D	87.3	Confident	81	Confident	3 Å²	3	47.7 Å²	47.7	2%	0.016	25%	0.248	C	C	.	.	H	α-helix	trans	-65	-43.9	176.6	-70.7	-27.6	0	0	0	111.7	R389 D390 S391 I395 A396 I397 K641 I645 R647	R389-D393 WeakPolarHBondContact O-CB 3.27Å; R389-D393 PolarHBondContact O-N 2.89Å; D390-D393 WeakPolarHBondContact O-CB 3.45Å; D390-D393 PolarHBondContact O-N 3.09Å; S391-D393 PolarHBondContact O-N 3.28Å; D393-I395 VanDerWaalsContact C-N 3.31Å; D393-I395 PolarHBondContact O-N 3.36Å; D393-A396 PolarHBondContact O-N 3.03Å; D393-I397 WeakPolarHBondContact O-CG1 3.38Å; D393-I397 PolarHBondContact O-N 3.29Å; D393-K641 HydrophobicContact CB-CD 4.06Å; D393-K641 IonicContact OD1-NZ 3.35Å; D393-K641 IonicContact OD2-NZ 2.67Å; D393-K641 PolarHBondContact OD2-NZ 2.85Å; D393-I645 VanDerWaalsContact CA-CD1 3.42Å; D393-I645 HydrophobicContact CB-CD1 3.48Å; D393-I645 VanDerWaalsContact CB-CD1 3.48Å; D393-I645 WeakPolarHBondContact O-CD1 3.45Å; D393-R647 IonicContact OD1-CZ 3.51Å; D393-R647 IonicContact OD1-NH1 3.7Å; D393-R647 PolarHBondContact OD1-NH1 3.05Å; D393-R647 IonicContact OD1-NH2 2.64Å; D393-R647 PolarHBondContact OD1-NH2 2.67Å; D393-R647 IonicContact OD2-NH1 2.68Å; D393-R647 IonicContact OD2-NH2 2.76Å
394	A	84.3	Confident	81.9	Confident	3 Å²	3	47.3 Å²	47.3	3%	0.025	24%	0.244	C	C	.	.	H	α-helix	trans	-61.9	-40.6	175.6	0	0	0	0	0	111.8	D390 S391 I397 T398 V453 L597 I600	D390-A394 PolarHBondContact O-N 3.01Å; S391-A394 WeakPolarHBondContact O-CB 3.42Å; S391-A394 PolarHBondContact O-N 3.46Å; A394-I397 PolarHBondContact O-N 3.43Å; A394-T398 PolarHBondContact O-N 3.44Å; A394-T398 PolarHBondContact O-OG1 3.43Å; A394-V453 HydrophobicContact CB-CG1 3.96Å; A394-V453 HydrophobicContact CB-CG2 4.1Å; A394-L597 HydrophobicContact CB-CD2 4.26Å; A394-I600 HydrophobicContact CB-CD1 3.72Å
395	I	83.8	Confident	82.7	Confident	32 Å²	32	43.6 Å²	43.6	16%	0.164	22%	0.22	C	C	.	.	H	α-helix	trans	-62.8	-47.9	174.2	-68.3	161.3	0	0	0	110.5	S391 Q392 D393 I397 T398 L399 L597 F674	S391-I395 WeakPolarHBondContact O-CG1 3.37Å; S391-I395 PolarHBondContact O-N 3.5Å; Q392-I395 PolarHBondContact O-N 3.04Å; D393-I395 VanDerWaalsContact C-N 3.31Å; D393-I395 PolarHBondContact O-N 3.36Å; I395-I397 VanDerWaalsContact C-N 3.3Å; I395-I397 PolarHBondContact O-N 3.24Å; I395-T398 CarbonylContact O-C 3.56Å; I395-T398 WeakPolarHBondContact O-CB 3.14Å; I395-T398 PolarHBondContact O-N 3.47Å; I395-T398 VanDerWaalsContact O-N 3.09Å; I395-L399 HydrophobicContact CG2-CD1 3.8Å; I395-L399 HydrophobicContact CG2-CG 4.14Å; I395-L399 WeakPolarHBondContact O-CG 3.46Å; I395-L399 PolarHBondContact O-N 3.1Å; I395-L597 HydrophobicContact CD1-CD1 4.01Å; I395-L597 HydrophobicContact CD1-CD2 4.05Å; I395-L597 HydrophobicContact CG1-CD1 3.84Å; I395-L597 HydrophobicContact CG1-CD2 3.88Å; I395-L597 HydrophobicContact CG1-CG 4.48Å; I395-F674 HydrophobicContact CD1-CD2 3.82Å; I395-F674 HydrophobicContact CD1-CE2 3.86Å
396	A	87.7	Confident	83.6	Confident	38 Å²	38	37.2 Å²	37.2	31%	0.314	20%	0.196	S	C	.	.	H	α-helix	trans	-61.3	-38.6	-179	0	0	0	0	0	112.4	Q392 D393 L399 A400 I645	Q392-A396 WeakPolarHBondContact O-CB 3.1Å; Q392-A396 PolarHBondContact O-N 3.28Å; D393-A396 PolarHBondContact O-N 3.03Å; A396-L399 PolarHBondContact O-N 3.23Å; A396-A400 WeakPolarHBondContact O-CB 3.48Å; A396-A400 PolarHBondContact O-N 2.96Å; A396-I645 HydrophobicContact CB-CD1 4.07Å
397	I	87.1	Confident	84	Confident	3 Å²	3	37.3 Å²	37.3	2%	0.015	20%	0.196	C	C	.	.	H	α-helix	trans	-63.1	-45.2	173.2	-70.9	168.6	0	0	0	110.6	D393 A394 I395 L399 A400 Y401 A451 V453 I471 K641 D643 I645	D393-I397 WeakPolarHBondContact O-CG1 3.38Å; D393-I397 PolarHBondContact O-N 3.29Å; A394-I397 PolarHBondContact O-N 3.43Å; I395-I397 VanDerWaalsContact C-N 3.3Å; I395-I397 PolarHBondContact O-N 3.24Å; I397-L399 VanDerWaalsContact C-N 3.31Å; I397-L399 PolarHBondContact O-N 2.92Å; I397-A400 PolarHBondContact O-N 3.4Å; I397-A400 VanDerWaalsContact O-N 3.16Å; I397-Y401 HydrophobicContact CG2-CD2 4Å; I397-Y401 HydrophobicContact CG2-CE2 4.46Å; I397-Y401 WeakPolarHBondContact O-CD2 3.41Å; I397-Y401 PolarHBondContact O-N 3.14Å; I397-A451 HydrophobicContact CG2-CB 3.8Å; I397-V453 HydrophobicContact CD1-CG2 4.03Å; I397-V453 HydrophobicContact CG2-CG2 4.37Å; I397-I471 HydrophobicContact CG2-CD1 4.01Å; I397-K641 HydrophobicContact CD1-CB 3.73Å; I397-K641 HydrophobicContact CD1-CD 4.12Å; I397-K641 HydrophobicContact CD1-CG 4.41Å; I397-D643 HydrophobicContact CD1-CB 4.2Å; I397-D643 HydrophobicContact CG1-CB 4.1Å; I397-I645 HydrophobicContact CD1-CD1 4Å; I397-I645 HydrophobicContact CG1-CD1 3.75Å
398	T	83.9	Confident	84.4	Confident	7 Å²	7	37.1 Å²	37.1	4%	0.043	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-36.5	177.5	-53.3	0	0	0	0	111.8	A394 I395 A400 E402 V593	A394-T398 PolarHBondContact O-N 3.44Å; A394-T398 PolarHBondContact O-OG1 3.43Å; I395-T398 CarbonylContact O-C 3.56Å; I395-T398 WeakPolarHBondContact O-CB 3.14Å; I395-T398 PolarHBondContact O-N 3.47Å; I395-T398 VanDerWaalsContact O-N 3.09Å; T398-A400 VanDerWaalsContact C-N 3.32Å; T398-E402 CarbonylContact C-O 3.55Å; T398-E402 WeakPolarHBondContact CA-O 3.44Å; T398-E402 WeakPolarHBondContact CG2-O 3.29Å; T398-E402 CarbonylContact O-C 3.16Å; T398-E402 WeakPolarHBondContact O-CA 3.17Å; T398-E402 PolarHBondContact O-N 3.35Å; T398-V593 HydrophobicContact CG2-CG1 4.5Å; T398-V593 HydrophobicContact CG2-CG2 3.96Å
399	L	85.3	Confident	84.7	Confident	102 Å²	102	36 Å²	36	53%	0.534	19%	0.188	S	C	.	.	H	α-helix	trans	-70.4	-30.6	175.3	-70.9	174	0	0	0	112.4	I395 A396 I397 L667	I395-L399 HydrophobicContact CG2-CD1 3.8Å; I395-L399 HydrophobicContact CG2-CG 4.14Å; I395-L399 WeakPolarHBondContact O-CG 3.46Å; I395-L399 PolarHBondContact O-N 3.1Å; A396-L399 PolarHBondContact O-N 3.23Å; I397-L399 VanDerWaalsContact C-N 3.31Å; I397-L399 PolarHBondContact O-N 2.92Å; L399-L667 HydrophobicContact CD2-CD2 3.65Å
400	A	88.9	Confident	84.7	Confident	72 Å²	72	33.5 Å²	33.5	60%	0.595	18%	0.179	S	C	*	.	H	α-helix	trans	-80.1	-35.2	-178.8	0	0	0	0	0	113.4	A396 I397 T398	A396-A400 WeakPolarHBondContact O-CB 3.48Å; A396-A400 PolarHBondContact O-N 2.96Å; I397-A400 PolarHBondContact O-N 3.4Å; I397-A400 VanDerWaalsContact O-N 3.16Å; T398-A400 VanDerWaalsContact C-N 3.32Å
401	Y	86.5	Confident	84.5	Confident	58 Å²	58	33 Å²	33	23%	0.227	18%	0.177	C	C	.	.	H	α-helix	trans	-118.5	9.5	-173.1	-59	-71.1	0	0	0	114.5	I397 R450 A451 D643	I397-Y401 HydrophobicContact CG2-CD2 4Å; I397-Y401 HydrophobicContact CG2-CE2 4.46Å; I397-Y401 WeakPolarHBondContact O-CD2 3.41Å; I397-Y401 PolarHBondContact O-N 3.14Å; Y401-R450 HydrophobicContact CD1-CG 3.49Å; Y401-R450 VanDerWaalsContact CD1-CG 3.49Å; Y401-R450 HydrophobicContact CE1-CG 3.83Å; Y401-R450 HydrophobicContact CG-CG 4.1Å; Y401-A451 HydrophobicContact CD2-CB 3.52Å; Y401-A451 HydrophobicContact CE2-CB 3.78Å; Y401-A451 HydrophobicContact CG-CB 4.12Å; Y401-D643 WeakPolarHBondContact CE2-OD1 3.34Å; Y401-D643 WeakPolarHBondContact CE2-OD2 3.36Å; Y401-D643 PolarHBondContact OH-OD1 3.49Å
402	E	82.3	Confident	84.3	Confident	119 Å²	119	33.2 Å²	33.2	56%	0.556	18%	0.178	S	C	*	.			trans	77.2	-174.2	-173.5	-46.4	174.6	166	0	0	114.1	T398 K477	T398-E402 CarbonylContact C-O 3.55Å; T398-E402 WeakPolarHBondContact CA-O 3.44Å; T398-E402 WeakPolarHBondContact CG2-O 3.29Å; T398-E402 CarbonylContact O-C 3.16Å; T398-E402 WeakPolarHBondContact O-CA 3.17Å; T398-E402 PolarHBondContact O-N 3.35Å; E402-K477 IonicContact OE2-NZ 3.71Å; E402-K477 PolarHBondContact OE2-NZ 3.05Å
403	K	82.4	Confident	83.9	Confident	88 Å²	88	30.3 Å²	30.3	38%	0.383	17%	0.166	S	C	.	.	S	Bend	trans	-59.7	149.4	179.8	70.3	179.8	-174.1	117.3	0	110.6	C587 A588	K403-C587 PolarHBondContact NZ-O 2.86Å; K403-A588 PolarHBondContact NZ-O 2.83Å
404	P	84.3	Confident	83.3	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.179	C	C	.	.			trans	-60.2	152.4	168.9	-18.6	32.4	0	0	0	111.5	L469 C587 V593	P404-L469 HydrophobicContact CB-CB 4.11Å; P404-L469 HydrophobicContact CB-CD2 3.82Å; P404-L469 HydrophobicContact CB-CG 4.36Å; P404-L469 HydrophobicContact CG-CB 4.19Å; P404-L469 HydrophobicContact CG-CD1 3.82Å; P404-L469 HydrophobicContact CG-CD2 3.87Å; P404-L469 HydrophobicContact CG-CG 4.16Å; P404-C587 HydrophobicContact CB-CB 4.41Å; P404-C587 WeakPolarHBondContact O-CB 3.5Å; P404-V593 HydrophobicContact CG-CG2 3.59Å
405	D	85.7	Confident	83	Confident	9 Å²	9	39.6 Å²	39.6	5%	0.048	21%	0.21	C	C	.	.	S	Bend	trans	-99	-37.5	176.4	-57.1	-74	0	0	0	111.1	L470 I471 M472 V586 C587	D405-L470 PolarHBondContact N-O 3.41Å; D405-I471 WeakPolarHBondContact OD2-CA 3.41Å; D405-M472 HydrophobicContact CB-CG 3.77Å; D405-M472 PolarHBondContact OD2-N 2.95Å; D405-V586 WeakPolarHBondContact O-CA 3.24Å; D405-C587 PolarHBondContact O-N 2.82Å
406	Y	85.8	Confident	82.6	Confident	8 Å²	8	38.9 Å²	38.9	3%	0.031	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	138.4	179.4	-52.1	-71.1	0	0	0	113.1	L469 L470 M472 T478 L487 V584 E585 V586	Y406-L469 WeakPolarHBondContact O-CA 3.48Å; Y406-L470 HydrophobicContact CD2-CB 4.37Å; Y406-L470 PolarHBondContact N-O 2.67Å; Y406-L470 PolarHBondContact O-N 3.14Å; Y406-M472 HydrophobicContact CD2-CG 3.79Å; Y406-M472 HydrophobicContact CD2-SD 3.66Å; Y406-M472 HydrophobicContact CE2-CE 4.11Å; Y406-M472 HydrophobicContact CE2-CG 3.44Å; Y406-M472 VanDerWaalsContact CE2-CG 3.44Å; Y406-M472 HydrophobicContact CE2-SD 3.63Å; Y406-T478 HydrophobicContact CE1-CG2 4.28Å; Y406-T478 WeakPolarHBondContact OH-CG2 3.13Å; Y406-L487 WeakPolarHBondContact OH-CD1 3.48Å; Y406-V584 HydrophobicContact CD1-CG1 3.95Å; Y406-V584 HydrophobicContact CG-CG1 4.33Å; Y406-E585 CarbonylContact C-O 2.99Å; Y406-E585 VanDerWaalsContact CA-O 3.32Å; Y406-E585 WeakPolarHBondContact CA-O 3.47Å; Y406-V586 HydrophobicContact CD1-CG2 4.17Å; Y406-V586 HydrophobicContact CE1-CG2 4Å
407	F	85	Confident	82.2	Confident	5 Å²	5	43.8 Å²	43.8	2%	0.022	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	113.5	165.3	180	-114.7	0	0	0	108.9	T409 H467 T468 L469 E585 C587 A592 Y595 V596	F407-T409 VanDerWaalsContact CE1-OG1 3.25Å; F407-T409 WeakPolarHBondContact CE1-OG1 3.43Å; F407-H467 HydrophobicContact CE2-CB 3.85Å; F407-H467 HydrophobicContact CZ-CB 4Å; F407-H467 AromaticContact CZ-CG 3.99Å; F407-H467 AromaticContact CZ-ND1 3.46Å; F407-H467 WeakPolarHBondContact CZ-ND1 3.31Å; F407-T468 CarbonylContact C-O 3.56Å; F407-T468 WeakPolarHBondContact CA-O 3.33Å; F407-L469 HydrophobicContact CB-CD2 4.27Å; F407-L469 HydrophobicContact CD2-CD2 3.81Å; F407-E585 HydrophobicContact CB-CB 4.35Å; F407-E585 PolarHBondContact N-O 2.88Å; F407-E585 PolarHBondContact O-N 2.79Å; F407-C587 PolarHBondContact N-SG 3.09Å; F407-C587 VanDerWaalsContact N-SG 3.36Å; F407-A592 HydrophobicContact CB-CB 4.43Å; F407-Y595 HydrophobicContact CD1-CD1 4.38Å; F407-Y595 AromaticContact CE1-CD1 3.55Å; F407-Y595 HydrophobicContact CE1-CD1 3.55Å; F407-Y595 AromaticContact CE1-CE1 3.51Å; F407-Y595 HydrophobicContact CE1-CE1 3.51Å; F407-Y595 HydrophobicContact CE2-CD1 4.09Å; F407-Y595 AromaticContact CZ-CD1 3.38Å; F407-Y595 HydrophobicContact CZ-CD1 3.38Å; F407-Y595 AromaticContact CZ-CE1 3.51Å; F407-Y595 HydrophobicContact CZ-CE1 3.51Å; F407-V596 HydrophobicContact CD2-CG2 3.65Å; F407-V596 HydrophobicContact CE2-CG2 3.33Å; F407-V596 HydrophobicContact CZ-CG2 4.4Å
408	V	84.9	Confident	81.8	Confident	8 Å²	8	48 Å²	48	5%	0.048	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	115.6	-177.5	-175.5	0	0	0	0	109.1	T468 L470 I582 Y583 V584	V408-T468 PolarHBondContact N-O 3.42Å; V408-T468 PolarHBondContact O-N 2.86Å; V408-L470 HydrophobicContact CG2-CD1 3.74Å; V408-L470 HydrophobicContact CG2-CG 4.27Å; V408-I582 HydrophobicContact CG1-CG2 3.94Å; V408-Y583 WeakPolarHBondContact CA-O 3.37Å; V408-V584 HydrophobicContact CG1-CG2 4.28Å; V408-V584 HydrophobicContact CG2-CG1 4.35Å; V408-V584 HydrophobicContact CG2-CG2 4.15Å
409	T	83.5	Confident	81.6	Confident	22 Å²	22	47.9 Å²	47.9	14%	0.135	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.1	168.1	-60.4	0	0	0	0	108.5	F407 T466 Y583	F407-T409 VanDerWaalsContact CE1-OG1 3.25Å; F407-T409 WeakPolarHBondContact CE1-OG1 3.43Å; T409-T466 WeakPolarHBondContact CA-O 3.14Å; T409-Y583 PolarHBondContact N-O 3.26Å; T409-Y583 PolarHBondContact O-N 3.44Å
410	F	81.5	Confident	81.5	Confident	13 Å²	13	48.1 Å²	48.1	6%	0.057	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	137.1	175.7	162.7	-76.3	0	0	0	109.2	C412 W416 F437 H465 T466 L578 E580 I582	F410-C412 HydrophobicContact CE1-CB 4.19Å; F410-W416 HydrophobicContact CE2-CZ2 4.25Å; F410-W416 AromaticContact CZ-CH2 3.69Å; F410-W416 HydrophobicContact CZ-CH2 3.69Å; F410-W416 AromaticContact CZ-CZ2 3.66Å; F410-W416 HydrophobicContact CZ-CZ2 3.66Å; F410-F437 HydrophobicContact CD1-CE2 4.02Å; F410-F437 HydrophobicContact CD1-CZ 4.17Å; F410-F437 AromaticContact CE1-CD2 3.9Å; F410-F437 HydrophobicContact CE1-CD2 3.9Å; F410-F437 AromaticContact CE1-CE2 3.11Å; F410-F437 HydrophobicContact CE1-CE2 3.11Å; F410-F437 AromaticContact CE1-CZ 3.7Å; F410-F437 HydrophobicContact CE1-CZ 3.7Å; F410-F437 HydrophobicContact CZ-CD2 4.34Å; F410-F437 AromaticContact CZ-CE2 3.56Å; F410-F437 HydrophobicContact CZ-CE2 3.56Å; F410-F437 HydrophobicContact CZ-CZ 4.38Å; F410-H465 CarbonylContact O-C 2.84Å; F410-H465 VanDerWaalsContact O-CA 3.31Å; F410-H465 WeakPolarHBondContact O-CA 3.44Å; F410-T466 WeakPolarHBondContact CB-OG1 3.46Å; F410-T466 HydrophobicContact CD1-CG2 4.43Å; F410-T466 PolarHBondContact N-O 2.64Å; F410-T466 PolarHBondContact O-N 3Å; F410-L578 HydrophobicContact CD2-CD1 4.3Å; F410-L578 HydrophobicContact CE2-CD1 4.49Å; F410-E580 HydrophobicContact CE2-CB 4.05Å; F410-E580 HydrophobicContact CE2-CG 3.82Å; F410-E580 HydrophobicContact CZ-CG 4.44Å; F410-I582 HydrophobicContact CD2-CD1 4.11Å; F410-I582 HydrophobicContact CD2-CG1 3.83Å
411	T	78.5	Confident	81.3	Confident	18 Å²	18	50.7 Å²	50.7	11%	0.11	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	128.8	174.8	-49.5	0	0	0	0	109.3	L463 H465 H581	T411-L463 HydrophobicContact CG2-CB 4.41Å; T411-H465 WeakPolarHBondContact CG2-CE1 3.35Å; T411-H465 PolarHBondContact OG1-CE1 3.41Å; T411-H465 PolarHBondContact OG1-ND1 3.46Å; T411-H581 PolarHBondContact N-O 3.47Å; T411-H581 VanDerWaalsContact N-O 3.16Å; T411-H581 PolarHBondContact OG1-ND1 2.93Å
412	C	77	Confident	81.1	Confident	3 Å²	3	50.9 Å²	50.9	2%	0.02	24%	0.241	C	C	.	.			trans	-63.1	145.6	174.5	171.5	0	0	0	0	110.8	F410 F437 L463 P464	F410-C412 HydrophobicContact CE1-CB 4.19Å; C412-F437 HydrophobicContact CB-CB 4.44Å; C412-F437 HydrophobicContact CB-CD2 3.78Å; C412-F437 HydrophobicContact CB-CG 4.44Å; C412-L463 HydrophobicContact CB-CB 4.03Å; C412-L463 HydrophobicContact CB-CD2 4.44Å; C412-L463 VanDerWaalsContact O-CB 3.28Å; C412-L463 WeakPolarHBondContact O-CB 3.49Å; C412-L463 VanDerWaalsContact O-CD1 3.25Å; C412-L463 WeakPolarHBondContact O-CD1 3.31Å; C412-P464 PolarHBondContact N-O 3.25Å
413	N	77	Confident	81.1	Confident	26 Å²	26	46.8 Å²	46.8	14%	0.139	22%	0.223	C	C	.	.			trans	-114.8	129.8	179.8	169.6	3.6	0	0	0	110.1	K415 I419 E580	N413-K415 PolarHBondContact O-N 3Å; N413-K415 WeakPolarHBondContact OD1-CB 3.5Å; N413-K415 PolarHBondContact OD1-N 3.11Å; N413-I419 WeakPolarHBondContact O-CD1 3.32Å; N413-E580 WeakPolarHBondContact CB-OE2 3.39Å; N413-E580 VanDerWaalsContact CG-OE2 3.32Å; N413-E580 PolarHBondContact ND2-OE2 2.68Å
414	P	74.6	Confident	80.9	Confident	46 Å²	46	46.6 Å²	46.6	30%	0.299	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-16.8	-175.6	30.6	-29.7	0	0	0	112.5	W416 V429 L463	P414-W416 VanDerWaalsContact C-N 3.3Å; P414-W416 PolarHBondContact O-N 2.58Å; P414-V429 HydrophobicContact CB-CB 4.09Å; P414-V429 HydrophobicContact CB-CG1 3.99Å; P414-V429 HydrophobicContact CB-CG2 3.69Å; P414-V429 WeakPolarHBondContact O-CG2 3.45Å; P414-L463 HydrophobicContact CB-CD1 4.35Å; P414-L463 HydrophobicContact CB-CD2 4.42Å; P414-L463 HydrophobicContact CG-CD1 3.94Å
415	K	76.6	Confident	80.3	Confident	154 Å²	154	52.1 Å²	52.1	67%	0.67	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	18.2	-176.7	-56.3	-175.8	178.4	179.8	0	113.5	N413 K417	N413-K415 PolarHBondContact O-N 3Å; N413-K415 WeakPolarHBondContact OD1-CB 3.5Å; N413-K415 PolarHBondContact OD1-N 3.11Å; K415-K417 PolarHBondContact O-N 3.04Å
416	W	76.1	Confident	79.6	Confident	18 Å²	18	53.3 Å²	53.3	7%	0.068	27%	0.271	C	S	.	.			trans	-60.5	136	173	-74.1	-11.9	0	0	0	110.7	F410 P414 E418 I419 E420 F437 R440 E580	F410-W416 HydrophobicContact CE2-CZ2 4.25Å; F410-W416 AromaticContact CZ-CH2 3.69Å; F410-W416 HydrophobicContact CZ-CH2 3.69Å; F410-W416 AromaticContact CZ-CZ2 3.66Å; F410-W416 HydrophobicContact CZ-CZ2 3.66Å; P414-W416 VanDerWaalsContact C-N 3.3Å; P414-W416 PolarHBondContact O-N 2.58Å; W416-E418 PolarHBondContact O-N 3.27Å; W416-I419 HydrophobicContact CB-CB 4.14Å; W416-I419 HydrophobicContact CB-CD1 4.03Å; W416-I419 HydrophobicContact CB-CG1 3.94Å; W416-I419 HydrophobicContact CD2-CD1 4.21Å; W416-I419 HydrophobicContact CE3-CD1 3.8Å; W416-I419 HydrophobicContact CE3-CG1 4.28Å; W416-I419 HydrophobicContact CG-CD1 4.34Å; W416-I419 CarbonylContact O-C 3.05Å; W416-I419 WeakPolarHBondContact O-CA 3.47Å; W416-I419 WeakPolarHBondContact O-CB 3.38Å; W416-I419 PolarHBondContact O-N 3.29Å; W416-E420 WeakPolarHBondContact O-CG 3.27Å; W416-E420 PolarHBondContact O-N 2.79Å; W416-F437 AromaticContact CH2-CD2 3.82Å; W416-F437 HydrophobicContact CH2-CD2 3.82Å; W416-F437 AromaticContact CH2-CE2 3.9Å; W416-F437 HydrophobicContact CH2-CE2 3.9Å; W416-F437 HydrophobicContact CZ3-CD2 4.06Å; W416-F437 HydrophobicContact CZ3-CE2 4.48Å; W416-R440 HydrophobicContact CH2-CG 4.45Å; W416-E580 VanDerWaalsContact CD1-OE1 3.27Å; W416-E580 HydrophobicContact CZ2-CG 3.89Å; W416-E580 PolarHBondContact NE1-OE1 3.04Å; W416-E580 PolarHBondContact NE1-OE2 3.29Å
417	K	78.4	Confident	79.1	Confident	140 Å²	140	54.2 Å²	54.2	61%	0.609	28%	0.275	S	S	*	.	H	α-helix	trans	-51.5	-42	174.2	-178.5	173.6	173.1	177.7	0	110.5	K415 I419 E420 E421	K415-K417 PolarHBondContact O-N 3.04Å; K417-I419 VanDerWaalsContact C-N 3.31Å; K417-I419 PolarHBondContact O-N 2.8Å; K417-E420 PolarHBondContact O-N 2.79Å; K417-E421 WeakPolarHBondContact CE-OE1 3.28Å; K417-E421 HydrophobicContact CG-CG 4.01Å; K417-E421 IonicContact NZ-OE1 3.44Å; K417-E421 WeakPolarHBondContact O-CB 3.34Å; K417-E421 WeakPolarHBondContact O-CG 3.25Å; K417-E421 PolarHBondContact O-N 3.44Å
418	E	80.1	Confident	78.8	Confident	91 Å²	91	57.7 Å²	57.7	43%	0.425	30%	0.296	S	S	.	.	H	α-helix	trans	-66.5	-31.8	177.6	-53.6	97.3	127.5	0	0	113	W416 N422 R440	W416-E418 PolarHBondContact O-N 3.27Å; E418-N422 WeakPolarHBondContact O-CB 3.34Å; E418-N422 PolarHBondContact O-N 3.47Å; E418-N422 PolarHBondContact O-ND2 2.64Å; E418-R440 IonicContact OE1-CZ 2.66Å; E418-R440 IonicContact OE1-NH2 3.28Å; E418-R440 PolarHBondContact OE1-NH2 2.97Å; E418-R440 IonicContact OE2-NH2 2.99Å
419	I	79.8	Confident	78.4	Confident	5 Å²	5	58.2 Å²	58.2	3%	0.026	30%	0.3	C	S	.	.	H	α-helix	trans	-74.1	-51.7	174.8	-65.3	175.7	0	0	0	109	N413 W416 K417 E421 N422 L423 V429	N413-I419 WeakPolarHBondContact O-CD1 3.32Å; W416-I419 HydrophobicContact CB-CB 4.14Å; W416-I419 HydrophobicContact CB-CD1 4.03Å; W416-I419 HydrophobicContact CB-CG1 3.94Å; W416-I419 HydrophobicContact CD2-CD1 4.21Å; W416-I419 HydrophobicContact CE3-CD1 3.8Å; W416-I419 HydrophobicContact CE3-CG1 4.28Å; W416-I419 HydrophobicContact CG-CD1 4.34Å; W416-I419 CarbonylContact O-C 3.05Å; W416-I419 WeakPolarHBondContact O-CA 3.47Å; W416-I419 WeakPolarHBondContact O-CB 3.38Å; W416-I419 PolarHBondContact O-N 3.29Å; K417-I419 VanDerWaalsContact C-N 3.31Å; K417-I419 PolarHBondContact O-N 2.8Å; I419-E421 PolarHBondContact O-N 3.27Å; I419-N422 CarbonylContact O-C 3.57Å; I419-N422 PolarHBondContact O-N 3.4Å; I419-N422 VanDerWaalsContact O-N 3.09Å; I419-L423 HydrophobicContact CG2-CD1 4.05Å; I419-L423 HydrophobicContact CG2-CG 4.18Å; I419-L423 VanDerWaalsContact O-CG 3.3Å; I419-L423 WeakPolarHBondContact O-CG 3.31Å; I419-L423 PolarHBondContact O-N 3.06Å; I419-V429 HydrophobicContact CG2-CG1 4.42Å; I419-V429 HydrophobicContact CG2-CG2 3.67Å
420	E	82.9	Confident	78	Confident	108 Å²	108	57.9 Å²	57.9	51%	0.505	30%	0.299	S	S	.	.	H	α-helix	trans	-58.4	-43.3	-179.3	-67.5	-175.4	157.4	0	0	112.3	W416 K417 N422 L423	W416-E420 WeakPolarHBondContact O-CG 3.27Å; W416-E420 PolarHBondContact O-N 2.79Å; K417-E420 PolarHBondContact O-N 2.79Å; E420-N422 VanDerWaalsContact C-N 3.27Å; E420-N422 PolarHBondContact O-N 3.41Å; E420-L423 PolarHBondContact O-N 2.58Å
421	E	84.7	Confident	77.8	Confident	126 Å²	126	58.5 Å²	58.5	59%	0.589	30%	0.302	S	S	*	.	H	α-helix	trans	-67.6	-24.6	177.3	-73.9	179.1	159.1	0	0	113.6	K417 I419	K417-E421 WeakPolarHBondContact CE-OE1 3.28Å; K417-E421 HydrophobicContact CG-CG 4.01Å; K417-E421 IonicContact NZ-OE1 3.44Å; K417-E421 WeakPolarHBondContact O-CB 3.34Å; K417-E421 WeakPolarHBondContact O-CG 3.25Å; K417-E421 PolarHBondContact O-N 3.44Å; I419-E421 PolarHBondContact O-N 3.27Å
422	N	82.9	Confident	78	Confident	62 Å²	62	58.5 Å²	58.5	33%	0.332	30%	0.3	S	S	.	.	H	α-helix	trans	-103.6	-0.7	179.7	-68	-90.2	0	0	0	112.9	E418 I419 E420 R432 L435	E418-N422 WeakPolarHBondContact O-CB 3.34Å; E418-N422 PolarHBondContact O-N 3.47Å; E418-N422 PolarHBondContact O-ND2 2.64Å; I419-N422 CarbonylContact O-C 3.57Å; I419-N422 PolarHBondContact O-N 3.4Å; I419-N422 VanDerWaalsContact O-N 3.09Å; E420-N422 VanDerWaalsContact C-N 3.27Å; E420-N422 PolarHBondContact O-N 3.41Å; N422-R432 PolarHBondContact O-NH1 3.01Å; N422-L435 HydrophobicContact CB-CD1 4.07Å; N422-L435 HydrophobicContact CB-CD2 3.89Å; N422-L435 WeakPolarHBondContact O-CD1 3.21Å
423	L	81.4	Confident	78.1	Confident	33 Å²	33	58.4 Å²	58.4	17%	0.173	30%	0.3	C	S	.	.	S	Bend	trans	-78.2	137.3	167.8	-79	174.2	0	0	0	109.9	I419 E420 K427 T428 V429 R432 L435	I419-L423 HydrophobicContact CG2-CD1 4.05Å; I419-L423 HydrophobicContact CG2-CG 4.18Å; I419-L423 VanDerWaalsContact O-CG 3.3Å; I419-L423 WeakPolarHBondContact O-CG 3.31Å; I419-L423 PolarHBondContact O-N 3.06Å; E420-L423 PolarHBondContact O-N 2.58Å; L423-K427 HydrophobicContact CD2-CB 4.48Å; L423-T428 WeakPolarHBondContact CD2-O 3.36Å; L423-V429 HydrophobicContact CD1-CG2 3.75Å; L423-R432 HydrophobicContact CD2-CB 3.95Å; L423-R432 HydrophobicContact CD2-CG 3.99Å; L423-L435 HydrophobicContact CD2-CD1 4Å; L423-L435 HydrophobicContact CG-CD1 4.24Å
424	L	77.3	Confident	78.2	Confident	83 Å²	83	57.5 Å²	57.5	44%	0.435	30%	0.295	S	S	.	.			trans	-73.8	147.7	169.4	-63.9	170.9	0	0	0	108.7	S426 K427	L424-S426 PolarHBondContact O-N 2.81Å; L424-K427 HydrophobicContact CB-CB 4.25Å; L424-K427 HydrophobicContact CB-CG 3.83Å; L424-K427 HydrophobicContact CD1-CG 4.37Å; L424-K427 PolarHBondContact O-N 2.77Å
425	P	72.6	Confident	78.4	Confident	116 Å²	116	56.5 Å²	56.5	75%	0.753	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	-28	-173.5	-29	34.5	0	0	0	115.7
426	S	71.2	Confident	77.9	Confident	35 Å²	35	49.8 Å²	49.8	25%	0.245	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	9.9	-179.6	77.4	0	0	0	0	114	L424	L424-S426 PolarHBondContact O-N 2.81Å
427	K	75.2	Confident	77.2	Confident	27 Å²	27	49.2 Å²	49.2	12%	0.117	26%	0.256	C	S	.	.			trans	-119.9	139.8	-171.6	-63.7	-61	-169.8	178.8	0	110.8	S326 L423 L424 D431	S326-K427 WeakPolarHBondContact O-CE 3.27Å; S326-K427 PolarHBondContact O-NZ 2.63Å; L423-K427 HydrophobicContact CD2-CB 4.48Å; L424-K427 HydrophobicContact CB-CB 4.25Å; L424-K427 HydrophobicContact CB-CG 3.83Å; L424-K427 HydrophobicContact CD1-CG 4.37Å; L424-K427 PolarHBondContact O-N 2.77Å; K427-D431 HydrophobicContact CB-CB 4.18Å; K427-D431 HydrophobicContact CD-CB 3.91Å
428	T	78.4	Confident	76	Confident	77 Å²	77	48 Å²	48	47%	0.472	25%	0.253	S	S	.	.			trans	-92.6	167.7	172.7	67.9	0	0	0	0	110.8	L423 S430 D431 R432	L423-T428 WeakPolarHBondContact CD2-O 3.36Å; T428-S430 PolarHBondContact O-N 2.99Å; T428-S430 PolarHBondContact OG1-N 3.01Å; T428-D431 WeakPolarHBondContact CB-OD2 3.36Å; T428-D431 PolarHBondContact N-OD2 3.31Å; T428-D431 WeakPolarHBondContact O-CB 3.2Å; T428-D431 PolarHBondContact O-N 3.3Å; T428-D431 PolarHBondContact OG1-N 3.35Å; T428-D431 PolarHBondContact OG1-OD2 3.26Å; T428-R432 PolarHBondContact O-N 2.67Å
429	V	75.9	Confident	74.7	Confident	19 Å²	19	45.9 Å²	45.9	12%	0.115	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.2	172.5	179.2	0	0	0	0	112.2	P414 I419 L423 D431 R432 V436	P414-V429 HydrophobicContact CB-CB 4.09Å; P414-V429 HydrophobicContact CB-CG1 3.99Å; P414-V429 HydrophobicContact CB-CG2 3.69Å; P414-V429 WeakPolarHBondContact O-CG2 3.45Å; I419-V429 HydrophobicContact CG2-CG1 4.42Å; I419-V429 HydrophobicContact CG2-CG2 3.67Å; L423-V429 HydrophobicContact CD1-CG2 3.75Å; V429-D431 VanDerWaalsContact C-N 3.34Å; V429-R432 CarbonylContact O-C 3.51Å; V429-R432 PolarHBondContact O-N 2.87Å; V429-V436 HydrophobicContact CG1-CG2 3.34Å
430	S	75.5	Confident	73.5	Confident	16 Å²	16	48.3 Å²	48.3	11%	0.112	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-40.1	175.3	-48.9	0	0	0	0	111.4	P137 T428 R432 P433	P137-S430 WeakPolarHBondContact CB-OG 3.46Å; T428-S430 PolarHBondContact O-N 2.99Å; T428-S430 PolarHBondContact OG1-N 3.01Å; S430-R432 PolarHBondContact O-N 2.88Å; S430-R432 VanDerWaalsContact O-N 3.13Å; S430-P433 WeakPolarHBondContact O-CD 3.41Å
431	D	77.7	Confident	72.1	Confident	25 Å²	25	50.7 Å²	50.7	13%	0.134	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-15.8	178.8	-64.2	-65.1	0	0	0	114.2	G328 P329 L331 K427 T428 V429 P433	G328-D431 VanDerWaalsContact CA-OD1 3.3Å; G328-D431 WeakPolarHBondContact CA-OD1 3.22Å; P329-D431 WeakPolarHBondContact CD-OD1 3.4Å; L331-D431 WeakPolarHBondContact CD2-O 3.47Å; K427-D431 HydrophobicContact CB-CB 4.18Å; K427-D431 HydrophobicContact CD-CB 3.91Å; T428-D431 WeakPolarHBondContact CB-OD2 3.36Å; T428-D431 PolarHBondContact N-OD2 3.31Å; T428-D431 WeakPolarHBondContact O-CB 3.2Å; T428-D431 PolarHBondContact O-N 3.3Å; T428-D431 PolarHBondContact OG1-N 3.35Å; T428-D431 PolarHBondContact OG1-OD2 3.26Å; V429-D431 VanDerWaalsContact C-N 3.34Å; D431-P433 VanDerWaalsContact C-CD 3.48Å
432	R	83	Confident	70.6	Confident	19 Å²	19	46.9 Å²	46.9	7%	0.072	26%	0.255	C	S	.	.			trans	-129.6	64.6	-176	-69.3	-63.9	-54.8	-69.1	-4.5	110.8	K325 N422 L423 T428 V429 S430 D434 L435	K325-R432 WeakPolarHBondContact O-CD 3.12Å; N422-R432 PolarHBondContact O-NH1 3.01Å; L423-R432 HydrophobicContact CD2-CB 3.95Å; L423-R432 HydrophobicContact CD2-CG 3.99Å; T428-R432 PolarHBondContact O-N 2.67Å; V429-R432 CarbonylContact O-C 3.51Å; V429-R432 PolarHBondContact O-N 2.87Å; S430-R432 PolarHBondContact O-N 2.88Å; S430-R432 VanDerWaalsContact O-N 3.13Å; R432-D434 IonicContact CZ-OD1 2.66Å; R432-D434 IonicContact CZ-OD2 3.02Å; R432-D434 IonicContact NE-OD1 3.38Å; R432-D434 PolarHBondContact NE-OD1 3.44Å; R432-D434 IonicContact NE-OD2 3.71Å; R432-D434 IonicContact NH2-OD1 3.34Å; R432-D434 PolarHBondContact NH2-OD1 3.15Å; R432-D434 IonicContact NH2-OD2 2.7Å; R432-D434 PolarHBondContact NH2-OD2 3.24Å; R432-D434 PolarHBondContact O-N 3.35Å; R432-L435 HydrophobicContact CB-CB 4.44Å; R432-L435 HydrophobicContact CB-CD1 3.76Å; R432-L435 HydrophobicContact CB-CG 4Å; R432-L435 HydrophobicContact CG-CD1 4.25Å; R432-L435 PolarHBondContact O-N 2.91Å
433	P	78.7	Confident	69.2	Low	1 Å²	1	46.7 Å²	46.7	1%	0.006	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-17.6	177.5	30.7	-38.4	0	0	0	112.4	E332 I335 S430 D431 L435 V436 A626 R627 V630	E332-P433 HydrophobicContact CG-CG 4.17Å; I335-P433 HydrophobicContact CD1-CG 3.52Å; S430-P433 WeakPolarHBondContact O-CD 3.41Å; D431-P433 VanDerWaalsContact C-CD 3.48Å; P433-L435 VanDerWaalsContact C-N 3.3Å; P433-V436 PolarHBondContact O-N 3.39Å; P433-A626 HydrophobicContact CB-CB 4.11Å; P433-A626 HydrophobicContact CG-CB 4.18Å; P433-R627 HydrophobicContact CB-CG 3.9Å; P433-V630 HydrophobicContact CB-CG2 4.38Å; P433-V630 HydrophobicContact CG-CG2 4.33Å
434	D	79.9	Confident	67.8	Low	6 Å²	6	52.1 Å²	52.1	3%	0.032	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.2	175.3	66.7	-56.7	0	0	0	114.8	K325 R432 V630 F634	K325-D434 IonicContact NZ-OD2 3.06Å; K325-D434 PolarHBondContact NZ-OD2 3.02Å; R432-D434 IonicContact CZ-OD1 2.66Å; R432-D434 IonicContact CZ-OD2 3.02Å; R432-D434 IonicContact NE-OD1 3.38Å; R432-D434 PolarHBondContact NE-OD1 3.44Å; R432-D434 IonicContact NE-OD2 3.71Å; R432-D434 IonicContact NH2-OD1 3.34Å; R432-D434 PolarHBondContact NH2-OD1 3.15Å; R432-D434 IonicContact NH2-OD2 2.7Å; R432-D434 PolarHBondContact NH2-OD2 3.24Å; R432-D434 PolarHBondContact O-N 3.35Å; D434-V630 HydrophobicContact CB-CG1 4.3Å; D434-V630 HydrophobicContact CB-CG2 4.47Å; D434-F634 HydrophobicContact CB-CE2 4.42Å; D434-F634 HydrophobicContact CB-CZ 4.35Å
435	L	78.2	Confident	66.6	Low	26 Å²	26	49.4 Å²	49.4	14%	0.136	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-21.6	172.7	-62.7	178.8	0	0	0	112.2	N422 L423 R432 P433 F437	N422-L435 HydrophobicContact CB-CD1 4.07Å; N422-L435 HydrophobicContact CB-CD2 3.89Å; N422-L435 WeakPolarHBondContact O-CD1 3.21Å; L423-L435 HydrophobicContact CD2-CD1 4Å; L423-L435 HydrophobicContact CG-CD1 4.24Å; R432-L435 HydrophobicContact CB-CB 4.44Å; R432-L435 HydrophobicContact CB-CD1 3.76Å; R432-L435 HydrophobicContact CB-CG 4Å; R432-L435 HydrophobicContact CG-CD1 4.25Å; R432-L435 PolarHBondContact O-N 2.91Å; P433-L435 VanDerWaalsContact C-N 3.3Å; L435-F437 PolarHBondContact O-N 3.07Å
436	V	65.2	Low	65.6	Low	12 Å²	12	49 Å²	49	7%	0.073	26%	0.259	C	S	.	.	S	Bend	trans	-77.7	113.4	-173.5	-175.7	0	0	0	0	109.9	V429 P433 L463 P464 R627	V429-V436 HydrophobicContact CG1-CG2 3.34Å; P433-V436 PolarHBondContact O-N 3.39Å; V436-L463 HydrophobicContact CG1-CD2 3.88Å; V436-P464 HydrophobicContact CG1-CG 4.01Å; V436-R627 HydrophobicContact CB-CG 4.38Å; V436-R627 HydrophobicContact CG1-CG 4.45Å
437	F	61.8	Low	65	Low	6 Å²	6	47.9 Å²	47.9	3%	0.026	25%	0.251	C	S	.	.			trans	59.5	86.3	173.2	-152.8	-99.6	0	0	0	117	F410 C412 W416 L435 R440 Y456 P464 T466	F410-F437 HydrophobicContact CD1-CE2 4.02Å; F410-F437 HydrophobicContact CD1-CZ 4.17Å; F410-F437 AromaticContact CE1-CD2 3.9Å; F410-F437 HydrophobicContact CE1-CD2 3.9Å; F410-F437 AromaticContact CE1-CE2 3.11Å; F410-F437 HydrophobicContact CE1-CE2 3.11Å; F410-F437 AromaticContact CE1-CZ 3.7Å; F410-F437 HydrophobicContact CE1-CZ 3.7Å; F410-F437 HydrophobicContact CZ-CD2 4.34Å; F410-F437 AromaticContact CZ-CE2 3.56Å; F410-F437 HydrophobicContact CZ-CE2 3.56Å; F410-F437 HydrophobicContact CZ-CZ 4.38Å; C412-F437 HydrophobicContact CB-CB 4.44Å; C412-F437 HydrophobicContact CB-CD2 3.78Å; C412-F437 HydrophobicContact CB-CG 4.44Å; W416-F437 AromaticContact CH2-CD2 3.82Å; W416-F437 HydrophobicContact CH2-CD2 3.82Å; W416-F437 AromaticContact CH2-CE2 3.9Å; W416-F437 HydrophobicContact CH2-CE2 3.9Å; W416-F437 HydrophobicContact CZ3-CD2 4.06Å; W416-F437 HydrophobicContact CZ3-CE2 4.48Å; L435-F437 PolarHBondContact O-N 3.07Å; F437-R440 HydrophobicContact CE2-CB 4.09Å; F437-R440 HydrophobicContact CZ-CB 4.09Å; F437-Y456 AromaticContact CD1-CE1 3.32Å; F437-Y456 HydrophobicContact CD1-CE1 3.32Å; F437-Y456 AromaticContact CD1-CZ 3.73Å; F437-Y456 VanDerWaalsContact CD1-OH 3.32Å; F437-Y456 WeakPolarHBondContact CD1-OH 3.4Å; F437-Y456 AromaticContact CE1-CE1 3.27Å; F437-Y456 HydrophobicContact CE1-CE1 3.27Å; F437-Y456 AromaticContact CE1-CZ 3.47Å; F437-Y456 VanDerWaalsContact CE1-CZ 3.47Å; F437-Y456 WeakPolarHBondContact CE1-OH 3.36Å; F437-Y456 HydrophobicContact CG-CE1 4.46Å; F437-Y456 HydrophobicContact CZ-CE1 4.43Å; F437-P464 HydrophobicContact CB-CB 4.38Å; F437-P464 HydrophobicContact CB-CG 4.19Å; F437-T466 HydrophobicContact CE1-CG2 4.18Å; F437-T466 HydrophobicContact CZ-CG2 4.26Å
438	Q	53.8	Low	64.9	Low	116 Å²	116	50 Å²	50	54%	0.542	27%	0.267	S	S	.	.			trans	-92.9	109.9	158.6	-69.2	-173.8	6	0	0	110.3	R440 F636	Q438-R440 PolarHBondContact O-N 3.19Å; Q438-F636 HydrophobicContact CG-CE2 4.3Å; Q438-F636 HydrophobicContact CG-CZ 4.42Å
439	G	52.1	Low	65.1	Low	45 Å²	45	48 Å²	48	46%	0.464	25%	0.253	S	S	.	.			trans	58.9	12.7	141.4	0	0	0	0	0	119.3	R441	G439-R441 PolarHBondContact O-N 2.81Å
440	R	55.8	Low	65.7	Low	56 Å²	56	53.8 Å²	53.8	21%	0.211	27%	0.273	C	S	.	.			trans	-61.7	108.3	172	-71.1	-162.9	177.4	-171.7	1.1	106.9	W416 E418 F437 Q438 L578	W416-R440 HydrophobicContact CH2-CG 4.45Å; E418-R440 IonicContact OE1-CZ 2.66Å; E418-R440 IonicContact OE1-NH2 3.28Å; E418-R440 PolarHBondContact OE1-NH2 2.97Å; E418-R440 IonicContact OE2-NH2 2.99Å; F437-R440 HydrophobicContact CE2-CB 4.09Å; F437-R440 HydrophobicContact CZ-CB 4.09Å; Q438-R440 PolarHBondContact O-N 3.19Å; R440-L578 PolarHBondContact NH1-O 3.45Å
441	R	53.6	Low	66.4	Low	158 Å²	158	53.1 Å²	53.1	60%	0.596	27%	0.268	S	S	*	.			trans	-63.3	153	173.1	-62.9	-176.3	-176.2	-167.9	1	106.9	G439 I443	G439-R441 PolarHBondContact O-N 2.81Å; R441-I443 VanDerWaalsContact C-N 3.26Å; R441-I443 WeakPolarHBondContact O-CG1 2.7Å; R441-I443 PolarHBondContact O-N 2.86Å
442	P	52.5	Low	66.8	Low	47 Å²	47	54.6 Å²	54.6	31%	0.305	27%	0.272	S	S	.	.			trans	-58.1	101.3	157.6	25	-30.6	0	0	0	106.2	F454 T468	P442-F454 HydrophobicContact CG-CD2 4.03Å; P442-T468 HydrophobicContact CB-CG2 4.05Å; P442-T468 HydrophobicContact CG-CG2 3.86Å
443	I	53.7	Low	67	Low	57 Å²	57	54.2 Å²	54.2	29%	0.292	27%	0.272	S	S	.	.			trans	-72.8	138.5	-171.5	-73.6	163.6	0	0	0	108.7	R441 M577 L578	R441-I443 VanDerWaalsContact C-N 3.26Å; R441-I443 WeakPolarHBondContact O-CG1 2.7Å; R441-I443 PolarHBondContact O-N 2.86Å; I443-M577 HydrophobicContact CG2-CE 3.31Å; I443-M577 HydrophobicContact CG2-SD 3.68Å; I443-L578 HydrophobicContact CD1-CD2 3.86Å
444	R	51.9	Low	67.2	Low	148 Å²	148	54.5 Å²	54.5	56%	0.558	27%	0.273	S	S	*	.			trans	-70.6	123.4	170.5	-88	178.5	158.9	173.1	-5.9	108.4	L449	R444-L449 VanDerWaalsContact NH2-N 3.19Å; R444-L449 PolarHBondContact NH2-O 2.93Å
445	C	52.4	Low	67.4	Low	26 Å²	26	54.5 Å²	54.5	18%	0.176	27%	0.273	C	S	.	.	S	Bend	trans	-82.1	-28.1	176	-128.7	0	0	0	0	113.3	C573 R574 M577	C445-C573 HydrophobicContact CB-CB 3.85Å; C445-C573 WeakPolarHBondContact CB-SG 3.36Å; C445-C573 WeakPolarHBondContact SG-CA 3.44Å; C445-C573 WeakPolarHBondContact SG-CB 3.28Å; C445-C573 PolarHBondContact SG-O 2.8Å; C445-C573 CovalentContact SG-SG 2Å; C445-C573 PolarHBondContact SG-SG 2.79Å; C445-R574 HydrophobicContact CB-CG 4.43Å; C445-R574 PolarHBondContact SG-N 3.26Å; C445-R574 VanDerWaalsContact SG-N 3.42Å; C445-M577 HydrophobicContact CB-SD 4.15Å; C445-M577 PolarHBondContact SG-SD 3.44Å
446	S	50.9	Low	67.6	Low	107 Å²	107	54.3 Å²	54.3	75%	0.748	27%	0.271	S	S	*	.	S	Bend	trans	178	-28.8	174.4	53	0	0	0	0	110.6
447	A	59.3	Low	68.2	Low	11 Å²	11	54.7 Å²	54.7	9%	0.091	27%	0.272	C	S	.	.			trans	-72.2	139.9	-170.4	0	0	0	0	0	114.6	L449 M472 E476	A447-L449 PolarHBondContact O-N 3.36Å; A447-M472 HydrophobicContact CB-CE 3.25Å; A447-E476 HydrophobicContact CB-CB 4.48Å; A447-E476 HydrophobicContact CB-CG 4.16Å
448	T	72	Confident	68.8	Low	73 Å²	73	56 Å²	56	45%	0.448	28%	0.277	S	S	.	.			trans	-67.7	101	172.3	-39.3	0	0	0	0	108.4	D473	T448-D473 WeakPolarHBondContact O-CB 3.49Å; T448-D473 PolarHBondContact O-N 3.28Å
449	L	83.5	Confident	69.2	Low	34 Å²	34	53.7 Å²	53.7	18%	0.178	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	127	175.4	-175	71.4	0	0	0	109.9	R444 A447 A451 Y452 L470 I471 M472	R444-L449 VanDerWaalsContact NH2-N 3.19Å; R444-L449 PolarHBondContact NH2-O 2.93Å; A447-L449 PolarHBondContact O-N 3.36Å; L449-A451 WeakPolarHBondContact CD1-O 3.44Å; L449-Y452 HydrophobicContact CD2-CD1 3.65Å; L449-Y452 HydrophobicContact CD2-CG 4.16Å; L449-L470 HydrophobicContact CD1-CB 3.74Å; L449-L470 HydrophobicContact CD1-CD2 3.81Å; L449-L470 HydrophobicContact CD1-CG 4.28Å; L449-L470 HydrophobicContact CD2-CD2 4.18Å; L449-I471 WeakPolarHBondContact CD1-O 3.16Å; L449-M472 HydrophobicContact CD1-SD 3.96Å
450	R	88.6	Confident	69.4	Low	141 Å²	141	55.8 Å²	55.8	53%	0.532	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-49.3	176.7	-171.9	66.6	176.6	166.6	0.9	111.6	Y401 I471	Y401-R450 HydrophobicContact CD1-CG 3.49Å; Y401-R450 VanDerWaalsContact CD1-CG 3.49Å; Y401-R450 HydrophobicContact CE1-CG 3.83Å; Y401-R450 HydrophobicContact CG-CG 4.1Å; R450-I471 WeakPolarHBondContact CA-O 3.19Å; R450-I471 WeakPolarHBondContact CB-O 3.35Å; R450-I471 PolarHBondContact N-O 2.97Å
451	A	89.1	Confident	69.4	Low	1 Å²	1	62 Å²	62	1%	0.008	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	161.6	179.2	0	0	0	0	0	112.1	I397 Y401 L449 I471 S642	I397-A451 HydrophobicContact CG2-CB 3.8Å; Y401-A451 HydrophobicContact CD2-CB 3.52Å; Y401-A451 HydrophobicContact CE2-CB 3.78Å; Y401-A451 HydrophobicContact CG-CB 4.12Å; L449-A451 WeakPolarHBondContact CD1-O 3.44Å; A451-I471 HydrophobicContact CB-CB 4.11Å; A451-I471 HydrophobicContact CB-CD1 4.07Å; A451-I471 HydrophobicContact CB-CG1 4.24Å; A451-I471 PolarHBondContact N-O 3Å; A451-I471 VanDerWaalsContact N-O 3.09Å; A451-I471 PolarHBondContact O-N 3Å; A451-S642 VanDerWaalsContact CA-OG 3.28Å; A451-S642 WeakPolarHBondContact CA-OG 3.43Å; A451-S642 WeakPolarHBondContact CB-OG 3.36Å
452	Y	87.7	Confident	69.7	Low	57 Å²	57	55.6 Å²	55.6	22%	0.224	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	154.2	172.6	66.2	-85.5	0	0	0	112.8	L449 F454 L469 R640 K641 S642	L449-Y452 HydrophobicContact CD2-CD1 3.65Å; L449-Y452 HydrophobicContact CD2-CG 4.16Å; Y452-F454 HydrophobicContact CD2-CB 4.25Å; Y452-L469 WeakPolarHBondContact CA-O 3.43Å; Y452-L469 WeakPolarHBondContact CB-O 3.29Å; Y452-R640 HydrophobicContact CE2-CB 4.13Å; Y452-K641 CarbonylContact O-C 3.54Å; Y452-K641 VanDerWaalsContact O-CA 3.25Å; Y452-K641 WeakPolarHBondContact O-CA 3.48Å; Y452-S642 PolarHBondContact N-OG 2.82Å; Y452-S642 PolarHBondContact O-N 3.38Å; Y452-S642 PolarHBondContact O-OG 3.18Å
453	V	85.7	Confident	70.5	Confident	11 Å²	11	54.7 Å²	54.7	7%	0.067	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	132	168.2	-178.7	0	0	0	0	107.9	A394 I397 T468 L469 V596 I600	A394-V453 HydrophobicContact CB-CG1 3.96Å; A394-V453 HydrophobicContact CB-CG2 4.1Å; I397-V453 HydrophobicContact CD1-CG2 4.03Å; I397-V453 HydrophobicContact CG2-CG2 4.37Å; V453-T468 CarbonylContact O-C 3.59Å; V453-T468 VanDerWaalsContact O-CA 3.29Å; V453-T468 WeakPolarHBondContact O-CA 3.47Å; V453-L469 HydrophobicContact CB-CB 4.43Å; V453-L469 PolarHBondContact N-O 3.07Å; V453-L469 PolarHBondContact O-N 3.43Å; V453-V596 HydrophobicContact CG1-CG1 4.4Å; V453-I600 HydrophobicContact CG1-CD1 4.17Å
454	F	84.1	Confident	71.4	Confident	7 Å²	7	52.1 Å²	52.1	3%	0.031	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	133.7	-171.6	166.2	-83.4	0	0	0	110.1	P442 Y452 Y456 T466 H467 T468 R639 R640	P442-F454 HydrophobicContact CG-CD2 4.03Å; Y452-F454 HydrophobicContact CD2-CB 4.25Å; F454-Y456 AromaticContact CE1-CD2 3.46Å; F454-Y456 HydrophobicContact CE1-CD2 3.46Å; F454-Y456 VanDerWaalsContact CE1-CD2 3.46Å; F454-Y456 AromaticContact CE1-CE2 3.27Å; F454-Y456 HydrophobicContact CE1-CE2 3.27Å; F454-Y456 HydrophobicContact CE1-CG 4.42Å; F454-Y456 AromaticContact CZ-CD2 3.84Å; F454-Y456 HydrophobicContact CZ-CD2 3.84Å; F454-Y456 HydrophobicContact CZ-CE1 4.4Å; F454-Y456 AromaticContact CZ-CE2 3.52Å; F454-Y456 HydrophobicContact CZ-CE2 3.52Å; F454-Y456 HydrophobicContact CZ-CG 4.48Å; F454-Y456 AromaticContact CZ-CZ 3.81Å; F454-T466 HydrophobicContact CE2-CG2 3.57Å; F454-T466 HydrophobicContact CZ-CG2 3.41Å; F454-T466 VanDerWaalsContact CZ-CG2 3.41Å; F454-H467 WeakPolarHBondContact CA-O 3.2Å; F454-T468 HydrophobicContact CB-CG2 4.27Å; F454-T468 HydrophobicContact CD2-CG2 4.38Å; F454-T468 VanDerWaalsContact CD2-OG1 3.31Å; F454-T468 WeakPolarHBondContact CD2-OG1 2.75Å; F454-R639 CarbonylContact O-C 3.58Å; F454-R639 VanDerWaalsContact O-CA 3.25Å; F454-R639 WeakPolarHBondContact O-CA 3.26Å; F454-R640 HydrophobicContact CB-CB 4.3Å; F454-R640 HydrophobicContact CD1-CB 4.06Å; F454-R640 HydrophobicContact CD1-CG 4.15Å; F454-R640 PolarHBondContact N-O 3.36Å; F454-R640 PolarHBondContact O-N 2.81Å
455	V	84.4	Confident	72.8	Confident	6 Å²	6	46 Å²	46	4%	0.036	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	136.4	-176.2	-172.1	0	0	0	0	110.2	T466 H467 V596 I600 R639	V455-T466 CarbonylContact O-C 3.52Å; V455-T466 VanDerWaalsContact O-CA 3.29Å; V455-T466 WeakPolarHBondContact O-CA 3.12Å; V455-H467 PolarHBondContact N-O 3.11Å; V455-H467 PolarHBondContact O-N 3.06Å; V455-V596 HydrophobicContact CG2-CG1 4.34Å; V455-I600 HydrophobicContact CG2-CD1 4.12Å; V455-I600 HydrophobicContact CG2-CG1 3.48Å; V455-I600 VanDerWaalsContact CG2-CG1 3.48Å; V455-R639 HydrophobicContact CB-CG 4.42Å; V455-R639 HydrophobicContact CG1-CG 4Å; V455-R639 HydrophobicContact CG2-CG 4.23Å
456	Y	81.1	Confident	74.2	Confident	22 Å²	22	45 Å²	45	9%	0.086	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	132	166.7	-77.2	-93.6	0	0	0	111.1	F437 F454 W458 H465 T466 H631 R637 T638	F437-Y456 AromaticContact CD1-CE1 3.32Å; F437-Y456 HydrophobicContact CD1-CE1 3.32Å; F437-Y456 AromaticContact CD1-CZ 3.73Å; F437-Y456 VanDerWaalsContact CD1-OH 3.32Å; F437-Y456 WeakPolarHBondContact CD1-OH 3.4Å; F437-Y456 AromaticContact CE1-CE1 3.27Å; F437-Y456 HydrophobicContact CE1-CE1 3.27Å; F437-Y456 AromaticContact CE1-CZ 3.47Å; F437-Y456 VanDerWaalsContact CE1-CZ 3.47Å; F437-Y456 WeakPolarHBondContact CE1-OH 3.36Å; F437-Y456 HydrophobicContact CG-CE1 4.46Å; F437-Y456 HydrophobicContact CZ-CE1 4.43Å; F454-Y456 AromaticContact CE1-CD2 3.46Å; F454-Y456 HydrophobicContact CE1-CD2 3.46Å; F454-Y456 VanDerWaalsContact CE1-CD2 3.46Å; F454-Y456 AromaticContact CE1-CE2 3.27Å; F454-Y456 HydrophobicContact CE1-CE2 3.27Å; F454-Y456 HydrophobicContact CE1-CG 4.42Å; F454-Y456 AromaticContact CZ-CD2 3.84Å; F454-Y456 HydrophobicContact CZ-CD2 3.84Å; F454-Y456 HydrophobicContact CZ-CE1 4.4Å; F454-Y456 AromaticContact CZ-CE2 3.52Å; F454-Y456 HydrophobicContact CZ-CE2 3.52Å; F454-Y456 HydrophobicContact CZ-CG 4.48Å; F454-Y456 AromaticContact CZ-CZ 3.81Å; Y456-W458 HydrophobicContact CD1-CH2 4.18Å; Y456-W458 HydrophobicContact CD1-CZ2 4.13Å; Y456-W458 HydrophobicContact CG-CZ2 4.18Å; Y456-H465 WeakPolarHBondContact CA-O 3.12Å; Y456-T466 HydrophobicContact CD1-CG2 3.63Å; Y456-T466 HydrophobicContact CE1-CG2 3.66Å; Y456-T466 HydrophobicContact CG-CG2 4.16Å; Y456-H631 AromaticContact CE1-CE1 3.96Å; Y456-H631 AromaticContact CE2-CE1 3.62Å; Y456-H631 AromaticContact CE2-NE2 3.68Å; Y456-H631 AromaticContact CZ-CE1 3.42Å; Y456-H631 VanDerWaalsContact CZ-CE1 3.42Å; Y456-H631 AromaticContact CZ-NE2 3.96Å; Y456-H631 PolarHBondContact OH-CE1 3.35Å; Y456-R637 WeakPolarHBondContact CE2-O 3.26Å; Y456-T638 VanDerWaalsContact CD2-O 3.31Å; Y456-T638 WeakPolarHBondContact CD2-O 3.32Å; Y456-T638 PolarHBondContact N-O 2.85Å
457	E	78.4	Confident	75.8	Confident	19 Å²	19	40.1 Å²	40.1	9%	0.089	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	124.9	163.7	-174.7	-174.9	-161.3	0	0	109.7	Q459 H465 H467 Y599 K602	E457-Q459 HydrophobicContact CG-CG 3.96Å; E457-Q459 PolarHBondContact OE2-NE2 3.16Å; E457-Q459 VanDerWaalsContact OE2-NE2 3.09Å; E457-H465 HydrophobicContact CB-CB 4.32Å; E457-H465 PolarHBondContact N-O 3.01Å; E457-H465 PolarHBondContact O-N 2.95Å; E457-H465 VanDerWaalsContact O-N 3.13Å; E457-H467 IonicContact OE2-CD2 3.62Å; E457-H467 IonicContact OE2-CE1 3.82Å; E457-H467 IonicContact OE2-NE2 3.44Å; E457-H467 PolarHBondContact OE2-NE2 2.96Å; E457-Y599 HydrophobicContact CB-CD1 4.3Å; E457-Y599 HydrophobicContact CG-CD1 4.09Å; E457-Y599 HydrophobicContact CG-CE1 4.3Å; E457-Y599 VanDerWaalsContact OE1-CE1 3.24Å; E457-Y599 WeakPolarHBondContact OE1-CE1 3.5Å; E457-Y599 WeakPolarHBondContact OE2-CE1 3.23Å; E457-K602 IonicContact OE1-NZ 2.73Å; E457-K602 PolarHBondContact OE1-NZ 3.18Å; E457-K602 VanDerWaalsContact OE1-NZ 3.14Å
458	W	74.3	Confident	77.1	Confident	33 Å²	33	39.7 Å²	39.7	13%	0.125	18%	0.181	C	C	.	.			trans	-98.5	99.4	176	-53.8	103.6	0	0	0	108.8	Y456 P464 Y625 R627 E628 H631 T638	Y456-W458 HydrophobicContact CD1-CH2 4.18Å; Y456-W458 HydrophobicContact CD1-CZ2 4.13Å; Y456-W458 HydrophobicContact CG-CZ2 4.18Å; W458-P464 HydrophobicContact CE3-CB 4.18Å; W458-P464 HydrophobicContact CE3-CG 4.22Å; W458-P464 HydrophobicContact CH2-CB 4.47Å; W458-P464 HydrophobicContact CZ3-CB 3.77Å; W458-P464 HydrophobicContact CZ3-CG 3.67Å; W458-Y625 HydrophobicContact CB-CD2 3.95Å; W458-Y625 HydrophobicContact CB-CE2 4.21Å; W458-R627 HydrophobicContact CZ3-CB 4.24Å; W458-E628 HydrophobicContact CB-CB 4.49Å; W458-E628 HydrophobicContact CD2-CB 3.61Å; W458-E628 HydrophobicContact CD2-CG 3.89Å; W458-E628 HydrophobicContact CE3-CB 3.84Å; W458-E628 HydrophobicContact CG-CB 3.89Å; W458-E628 HydrophobicContact CG-CG 3.94Å; W458-E628 HydrophobicContact CZ2-CB 4.42Å; W458-E628 HydrophobicContact CZ2-CG 4.36Å; W458-E628 HydrophobicContact CZ3-CB 4.32Å; W458-H631 HydrophobicContact CH2-CB 3.59Å; W458-H631 AromaticContact CH2-CG 3.61Å; W458-H631 AromaticContact CH2-ND1 3.77Å; W458-H631 HydrophobicContact CZ2-CB 3.82Å; W458-H631 AromaticContact CZ2-CD2 3.82Å; W458-H631 AromaticContact CZ2-CG 3.67Å; W458-T638 HydrophobicContact CZ2-CG2 4.32Å
459	Q	61.2	Low	77.7	Confident	69 Å²	69	36.3 Å²	36.3	32%	0.322	16%	0.16	S	C	.	.			trans	-88.1	142.2	-177.2	-64.5	-173.7	-7.3	0	0	112.6	E457 R461 G462 H465	E457-Q459 HydrophobicContact CG-CG 3.96Å; E457-Q459 PolarHBondContact OE2-NE2 3.16Å; E457-Q459 VanDerWaalsContact OE2-NE2 3.09Å; Q459-R461 PolarHBondContact O-N 3.13Å; Q459-G462 PolarHBondContact O-N 3.22Å; Q459-H465 PolarHBondContact OE1-CD2 2.93Å; Q459-H465 VanDerWaalsContact OE1-CD2 3.29Å; Q459-H465 PolarHBondContact OE1-NE2 2.99Å
460	K	57.5	Low	77.9	Confident	89 Å²	89	35.1 Å²	35.1	39%	0.387	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-42.5	-35.7	177.4	-75.6	175.8	-175.9	-178.6	0	116.3	R141 D605 Y625	R141-K460 PolarHBondContact NH2-O 3.26Å; K460-D605 WeakPolarHBondContact CG-OD2 3.27Å; K460-Y625 VanDerWaalsContact CA-OH 3.23Å; K460-Y625 WeakPolarHBondContact CA-OH 3.28Å; K460-Y625 WeakPolarHBondContact CG-OH 3.27Å; K460-Y625 PolarHBondContact N-OH 2.89Å
461	R	55.2	Low	77.9	Confident	185 Å²	185	28.6 Å²	28.6	70%	0.698	13%	0.13	S	C	*	.	T	Hydrogen-bonded Turn	trans	-130.7	2.7	-168.8	-58.1	176.9	-176.7	169.5	-0	112.9	Q459	Q459-R461 PolarHBondContact O-N 3.13Å
462	G	60.2	Low	77.8	Confident	24 Å²	24	28.9 Å²	28.9	25%	0.247	13%	0.131	C	C	.	.	S	Bend	trans	-109.7	165.9	-165.9	0	0	0	0	0	114	Q459	Q459-G462 PolarHBondContact O-N 3.22Å
463	L	69.7	Low	77.8	Confident	29 Å²	29	28.7 Å²	28.7	15%	0.152	13%	0.133	C	C	.	.	S	Bend	trans	-71.3	158.9	160.9	-75.4	138.7	0	0	0	109.3	T411 C412 P414 V436 H465 R627	T411-L463 HydrophobicContact CG2-CB 4.41Å; C412-L463 HydrophobicContact CB-CB 4.03Å; C412-L463 HydrophobicContact CB-CD2 4.44Å; C412-L463 VanDerWaalsContact O-CB 3.28Å; C412-L463 WeakPolarHBondContact O-CB 3.49Å; C412-L463 VanDerWaalsContact O-CD1 3.25Å; C412-L463 WeakPolarHBondContact O-CD1 3.31Å; P414-L463 HydrophobicContact CB-CD1 4.35Å; P414-L463 HydrophobicContact CB-CD2 4.42Å; P414-L463 HydrophobicContact CG-CD1 3.94Å; V436-L463 HydrophobicContact CG1-CD2 3.88Å; L463-H465 PolarHBondContact O-CD2 3.41Å; L463-H465 PolarHBondContact O-N 3.46Å; L463-H465 PolarHBondContact O-NE2 3.32Å; L463-R627 VanDerWaalsContact CG-NH1 3.33Å
464	P	73.3	Confident	77.9	Confident	2 Å²	2	32.1 Å²	32.1	1%	0.013	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-54.8	127.3	178.1	-25.3	35.5	0	0	0	110.3	C412 V436 F437 W458	C412-P464 PolarHBondContact N-O 3.25Å; V436-P464 HydrophobicContact CG1-CG 4.01Å; F437-P464 HydrophobicContact CB-CB 4.38Å; F437-P464 HydrophobicContact CB-CG 4.19Å; W458-P464 HydrophobicContact CE3-CB 4.18Å; W458-P464 HydrophobicContact CE3-CG 4.22Å; W458-P464 HydrophobicContact CH2-CB 4.47Å; W458-P464 HydrophobicContact CZ3-CB 3.77Å; W458-P464 HydrophobicContact CZ3-CG 3.67Å
465	H	79.9	Confident	77.9	Confident	21 Å²	21	39.1 Å²	39.1	10%	0.097	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	150.5	173.9	-67.5	-95.1	0	0	0	109.1	F410 T411 Y456 E457 Q459 L463	F410-H465 CarbonylContact O-C 2.84Å; F410-H465 VanDerWaalsContact O-CA 3.31Å; F410-H465 WeakPolarHBondContact O-CA 3.44Å; T411-H465 WeakPolarHBondContact CG2-CE1 3.35Å; T411-H465 PolarHBondContact OG1-CE1 3.41Å; T411-H465 PolarHBondContact OG1-ND1 3.46Å; Y456-H465 WeakPolarHBondContact CA-O 3.12Å; E457-H465 HydrophobicContact CB-CB 4.32Å; E457-H465 PolarHBondContact N-O 3.01Å; E457-H465 PolarHBondContact O-N 2.95Å; E457-H465 VanDerWaalsContact O-N 3.13Å; Q459-H465 PolarHBondContact OE1-CD2 2.93Å; Q459-H465 VanDerWaalsContact OE1-CD2 3.29Å; Q459-H465 PolarHBondContact OE1-NE2 2.99Å; L463-H465 PolarHBondContact O-CD2 3.41Å; L463-H465 PolarHBondContact O-N 3.46Å; L463-H465 PolarHBondContact O-NE2 3.32Å
466	T	82.6	Confident	77.8	Confident	4 Å²	4	42.5 Å²	42.5	3%	0.025	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	133.4	171.1	67.4	0	0	0	0	110.1	T409 F410 F437 F454 V455 Y456	T409-T466 WeakPolarHBondContact CA-O 3.14Å; F410-T466 WeakPolarHBondContact CB-OG1 3.46Å; F410-T466 HydrophobicContact CD1-CG2 4.43Å; F410-T466 PolarHBondContact N-O 2.64Å; F410-T466 PolarHBondContact O-N 3Å; F437-T466 HydrophobicContact CE1-CG2 4.18Å; F437-T466 HydrophobicContact CZ-CG2 4.26Å; F454-T466 HydrophobicContact CE2-CG2 3.57Å; F454-T466 HydrophobicContact CZ-CG2 3.41Å; F454-T466 VanDerWaalsContact CZ-CG2 3.41Å; V455-T466 CarbonylContact O-C 3.52Å; V455-T466 VanDerWaalsContact O-CA 3.29Å; V455-T466 WeakPolarHBondContact O-CA 3.12Å; Y456-T466 HydrophobicContact CD1-CG2 3.63Å; Y456-T466 HydrophobicContact CE1-CG2 3.66Å; Y456-T466 HydrophobicContact CG-CG2 4.16Å
467	H	84.9	Confident	78	Confident	5 Å²	5	42.9 Å²	42.9	2%	0.023	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	120.7	177.7	-64.9	-53.9	0	0	0	107.9	F407 F454 V455 E457 Y599	F407-H467 HydrophobicContact CE2-CB 3.85Å; F407-H467 HydrophobicContact CZ-CB 4Å; F407-H467 AromaticContact CZ-CG 3.99Å; F407-H467 AromaticContact CZ-ND1 3.46Å; F407-H467 WeakPolarHBondContact CZ-ND1 3.31Å; F454-H467 WeakPolarHBondContact CA-O 3.2Å; V455-H467 PolarHBondContact N-O 3.11Å; V455-H467 PolarHBondContact O-N 3.06Å; E457-H467 IonicContact OE2-CD2 3.62Å; E457-H467 IonicContact OE2-CE1 3.82Å; E457-H467 IonicContact OE2-NE2 3.44Å; E457-H467 PolarHBondContact OE2-NE2 2.96Å; H467-Y599 AromaticContact CD2-CD1 3.57Å; H467-Y599 AromaticContact CD2-CD2 3.82Å; H467-Y599 AromaticContact CD2-CE1 3.94Å; H467-Y599 AromaticContact CD2-CG 3.5Å; H467-Y599 VanDerWaalsContact CD2-CG 3.5Å; H467-Y599 AromaticContact NE2-CD1 3.64Å; H467-Y599 AromaticContact NE2-CE1 3.51Å; H467-Y599 AromaticContact NE2-CG 3.95Å; H467-Y599 AromaticContact NE2-CZ 3.77Å
468	T	85.4	Confident	78.2	Confident	1 Å²	1	43 Å²	43	1%	0.006	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	127.7	-174.6	-45.4	0	0	0	0	110.9	F407 V408 P442 V453 F454 L470	F407-T468 CarbonylContact C-O 3.56Å; F407-T468 WeakPolarHBondContact CA-O 3.33Å; V408-T468 PolarHBondContact N-O 3.42Å; V408-T468 PolarHBondContact O-N 2.86Å; P442-T468 HydrophobicContact CB-CG2 4.05Å; P442-T468 HydrophobicContact CG-CG2 3.86Å; V453-T468 CarbonylContact O-C 3.59Å; V453-T468 VanDerWaalsContact O-CA 3.29Å; V453-T468 WeakPolarHBondContact O-CA 3.47Å; F454-T468 HydrophobicContact CB-CG2 4.27Å; F454-T468 HydrophobicContact CD2-CG2 4.38Å; F454-T468 VanDerWaalsContact CD2-OG1 3.31Å; F454-T468 WeakPolarHBondContact CD2-OG1 2.75Å; T468-L470 HydrophobicContact CG2-CD2 3.63Å; T468-L470 HydrophobicContact CG2-CG 4.26Å
469	L	85.8	Confident	78.4	Confident	3 Å²	3	49 Å²	49	2%	0.016	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.2	163.8	-66.5	173.3	0	0	0	109.3	P404 Y406 F407 Y452 V453 A592 V596	P404-L469 HydrophobicContact CB-CB 4.11Å; P404-L469 HydrophobicContact CB-CD2 3.82Å; P404-L469 HydrophobicContact CB-CG 4.36Å; P404-L469 HydrophobicContact CG-CB 4.19Å; P404-L469 HydrophobicContact CG-CD1 3.82Å; P404-L469 HydrophobicContact CG-CD2 3.87Å; P404-L469 HydrophobicContact CG-CG 4.16Å; Y406-L469 WeakPolarHBondContact O-CA 3.48Å; F407-L469 HydrophobicContact CB-CD2 4.27Å; F407-L469 HydrophobicContact CD2-CD2 3.81Å; Y452-L469 WeakPolarHBondContact CA-O 3.43Å; Y452-L469 WeakPolarHBondContact CB-O 3.29Å; V453-L469 HydrophobicContact CB-CB 4.43Å; V453-L469 PolarHBondContact N-O 3.07Å; V453-L469 PolarHBondContact O-N 3.43Å; L469-A592 HydrophobicContact CD2-CB 4.42Å; L469-V596 HydrophobicContact CD1-CB 3.67Å; L469-V596 HydrophobicContact CD1-CG1 3.91Å; L469-V596 HydrophobicContact CD1-CG2 3.76Å; L469-V596 HydrophobicContact CD2-CG2 3.73Å; L469-V596 HydrophobicContact CG-CB 3.99Å; L469-V596 HydrophobicContact CG-CG1 4.25Å; L469-V596 HydrophobicContact CG-CG2 3.49Å; L469-V596 VanDerWaalsContact CG-CG2 3.49Å
470	L	86.9	Confident	79.6	Confident	8 Å²	8	47.5 Å²	47.5	4%	0.042	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	129	174.4	-56.4	-179.9	0	0	0	108.9	D405 Y406 V408 L449 T468 M472	D405-L470 PolarHBondContact N-O 3.41Å; Y406-L470 HydrophobicContact CD2-CB 4.37Å; Y406-L470 PolarHBondContact N-O 2.67Å; Y406-L470 PolarHBondContact O-N 3.14Å; V408-L470 HydrophobicContact CG2-CD1 3.74Å; V408-L470 HydrophobicContact CG2-CG 4.27Å; L449-L470 HydrophobicContact CD1-CB 3.74Å; L449-L470 HydrophobicContact CD1-CD2 3.81Å; L449-L470 HydrophobicContact CD1-CG 4.28Å; L449-L470 HydrophobicContact CD2-CD2 4.18Å; T468-L470 HydrophobicContact CG2-CD2 3.63Å; T468-L470 HydrophobicContact CG2-CG 4.26Å; L470-M472 HydrophobicContact CB-SD 4.16Å
471	I	87.7	Confident	80.9	Confident	5 Å²	5	45.7 Å²	45.7	3%	0.026	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	116.9	169.7	-45.9	-173.3	0	0	0	106.8	I397 D405 L449 R450 A451	I397-I471 HydrophobicContact CG2-CD1 4.01Å; D405-I471 WeakPolarHBondContact OD2-CA 3.41Å; L449-I471 WeakPolarHBondContact CD1-O 3.16Å; R450-I471 WeakPolarHBondContact CA-O 3.19Å; R450-I471 WeakPolarHBondContact CB-O 3.35Å; R450-I471 PolarHBondContact N-O 2.97Å; A451-I471 HydrophobicContact CB-CB 4.11Å; A451-I471 HydrophobicContact CB-CD1 4.07Å; A451-I471 HydrophobicContact CB-CG1 4.24Å; A451-I471 PolarHBondContact N-O 3Å; A451-I471 VanDerWaalsContact N-O 3.09Å; A451-I471 PolarHBondContact O-N 3Å
472	M	87.9	Confident	82.4	Confident	6 Å²	6	41.2 Å²	41.2	3%	0.03	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	160.4	-174.1	-52.8	-54.7	-67.7	0	0	110.7	D405 Y406 A447 L449 L470 E476 K477	D405-M472 HydrophobicContact CB-CG 3.77Å; D405-M472 PolarHBondContact OD2-N 2.95Å; Y406-M472 HydrophobicContact CD2-CG 3.79Å; Y406-M472 HydrophobicContact CD2-SD 3.66Å; Y406-M472 HydrophobicContact CE2-CE 4.11Å; Y406-M472 HydrophobicContact CE2-CG 3.44Å; Y406-M472 VanDerWaalsContact CE2-CG 3.44Å; Y406-M472 HydrophobicContact CE2-SD 3.63Å; A447-M472 HydrophobicContact CB-CE 3.25Å; L449-M472 HydrophobicContact CD1-SD 3.96Å; L470-M472 HydrophobicContact CB-SD 4.16Å; M472-E476 HydrophobicContact CB-CB 4.11Å; M472-E476 HydrophobicContact CE-CB 4.25Å; M472-K477 HydrophobicContact CB-CG 4.33Å
473	D	88.8	Confident	83.7	Confident	53 Å²	53	42.2 Å²	42.2	28%	0.283	21%	0.213	S	C	.	.			trans	-66	158.1	165.8	-142.6	-25.5	0	0	0	110.8	T448 D475 E476 K477	T448-D473 WeakPolarHBondContact O-CB 3.49Å; T448-D473 PolarHBondContact O-N 3.28Å; D473-D475 PolarHBondContact O-N 2.89Å; D473-D475 VanDerWaalsContact O-N 3.16Å; D473-E476 PolarHBondContact O-N 3.14Å; D473-K477 PolarHBondContact O-N 2.99Å
474	E	86.2	Confident	84.5	Confident	84 Å²	84	40.9 Å²	40.9	39%	0.393	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	-58.7	-34.3	-169.4	-169.1	62	-163.4	0	0	113.3	E476 K477 R479	E474-E476 VanDerWaalsContact C-N 3.3Å; E474-K477 WeakPolarHBondContact OE2-CD 3.23Å; E474-K477 WeakPolarHBondContact OE2-CE 3.28Å; E474-K477 IonicContact OE2-NZ 3.87Å; E474-K477 PolarHBondContact OE2-NZ 3.13Å; E474-R479 PolarHBondContact O-NH2 2.82Å; E474-R479 IonicContact OE1-CZ 3.54Å; E474-R479 IonicContact OE1-NH1 3.14Å; E474-R479 IonicContact OE1-NH2 2.81Å; E474-R479 PolarHBondContact OE1-NH2 3.25Å
475	D	84.6	Confident	85.3	Confident	154 Å²	154	42 Å²	42	82%	0.824	21%	0.212	S	C	*	.	G	3₁₀ helix	trans	-75.6	-16.6	179.1	-60.2	-33.9	0	0	0	113.1	D473	D473-D475 PolarHBondContact O-N 2.89Å; D473-D475 VanDerWaalsContact O-N 3.16Å
476	E	83.4	Confident	85.6	Confident	76 Å²	76	50 Å²	50	36%	0.355	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-108.8	2.4	-175.6	-64.8	-74.8	170	0	0	112.5	A447 M472 D473 E474	A447-E476 HydrophobicContact CB-CB 4.48Å; A447-E476 HydrophobicContact CB-CG 4.16Å; M472-E476 HydrophobicContact CB-CB 4.11Å; M472-E476 HydrophobicContact CE-CB 4.25Å; D473-E476 PolarHBondContact O-N 3.14Å; E474-E476 VanDerWaalsContact C-N 3.3Å
477	K	85.3	Confident	85.7	Confident	30 Å²	30	53 Å²	53	13%	0.13	26%	0.256	C	S	.	.			trans	-73.6	132.2	178.3	-71.3	-174.8	175.9	165	0	111.4	E402 M472 D473 E474 R479	E402-K477 IonicContact OE2-NZ 3.71Å; E402-K477 PolarHBondContact OE2-NZ 3.05Å; M472-K477 HydrophobicContact CB-CG 4.33Å; D473-K477 PolarHBondContact O-N 2.99Å; E474-K477 WeakPolarHBondContact OE2-CD 3.23Å; E474-K477 WeakPolarHBondContact OE2-CE 3.28Å; E474-K477 IonicContact OE2-NZ 3.87Å; E474-K477 PolarHBondContact OE2-NZ 3.13Å; K477-R479 PolarHBondContact O-N 3.25Å
478	T	81	Confident	86	Confident	21 Å²	21	52.9 Å²	52.9	13%	0.129	26%	0.256	C	S	.	.			trans	-75.5	116	172.5	46.5	0	0	0	0	110.8	Y406 D483 V484 L487	Y406-T478 HydrophobicContact CE1-CG2 4.28Å; Y406-T478 WeakPolarHBondContact OH-CG2 3.13Å; T478-D483 HydrophobicContact CG2-CB 3.87Å; T478-V484 HydrophobicContact CG2-CG2 4.4Å; T478-L487 HydrophobicContact CG2-CD1 3.7Å
479	R	79.8	Confident	86.4	Confident	161 Å²	161	56.1 Å²	56.1	61%	0.608	27%	0.268	S	S	*	.			trans	-114.5	-23	-178.7	-58.9	-178.9	-163.5	-145.6	-0.7	113.1	E474 K477 D483	E474-R479 PolarHBondContact O-NH2 2.82Å; E474-R479 IonicContact OE1-CZ 3.54Å; E474-R479 IonicContact OE1-NH1 3.14Å; E474-R479 IonicContact OE1-NH2 2.81Å; E474-R479 PolarHBondContact OE1-NH2 3.25Å; K477-R479 PolarHBondContact O-N 3.25Å; R479-D483 PolarHBondContact N-OD2 2.84Å
480	S	84.8	Confident	86.8	Confident	37 Å²	37	56 Å²	56	26%	0.259	27%	0.268	S	S	.	.	S	Bend	trans	-119.2	155.6	-179.5	71.6	0	0	0	0	111.6	N482 D483 V484	S480-N482 PolarHBondContact O-N 3.2Å; S480-D483 WeakPolarHBondContact CB-OD2 3.21Å; S480-D483 PolarHBondContact N-OD2 3.14Å; S480-D483 WeakPolarHBondContact O-CB 3.45Å; S480-D483 PolarHBondContact O-N 3.38Å; S480-D483 PolarHBondContact OG-N 2.75Å; S480-D483 PolarHBondContact OG-OD1 3.31Å; S480-D483 PolarHBondContact OG-OD2 3.23Å; S480-V484 PolarHBondContact O-N 2.73Å
481	P	85.3	Confident	87.1	Confident	50 Å²	50	56.5 Å²	56.5	33%	0.325	27%	0.27	S	S	.	.	H	α-helix	trans	-50.6	-35.2	168.2	-32	38.7	0	0	0	113.8	D483 V484 D485 A536	P481-D483 VanDerWaalsContact C-N 3.34Å; P481-D483 PolarHBondContact O-N 3.3Å; P481-V484 WeakPolarHBondContact O-CB 3.39Å; P481-V484 PolarHBondContact O-N 3.16Å; P481-D485 PolarHBondContact O-N 3.31Å; P481-A536 HydrophobicContact CB-CB 4.28Å; P481-A536 WeakPolarHBondContact CB-O 3.19Å
482	N	87.4	Confident	87.5	Confident	92 Å²	92	56.5 Å²	56.5	49%	0.492	27%	0.27	S	S	.	.	H	α-helix	trans	-66.2	-35.2	177.6	-71.6	-29.1	0	0	0	112.6	S480 V484 R486	S480-N482 PolarHBondContact O-N 3.2Å; N482-V484 VanDerWaalsContact C-N 3.33Å; N482-R486 WeakPolarHBondContact O-CB 3.24Å; N482-R486 WeakPolarHBondContact O-CD 3.32Å; N482-R486 WeakPolarHBondContact O-CG 3.48Å; N482-R486 PolarHBondContact O-N 3.07Å; N482-R486 VanDerWaalsContact O-N 3.12Å
483	D	86.4	Confident	87.7	Confident	45 Å²	45	56.4 Å²	56.4	24%	0.241	27%	0.269	C	S	.	.	H	α-helix	trans	-67.9	-39.6	175.7	-54.1	-41.4	0	0	0	110.3	T478 R479 S480 P481 R486 L487	T478-D483 HydrophobicContact CG2-CB 3.87Å; R479-D483 PolarHBondContact N-OD2 2.84Å; S480-D483 WeakPolarHBondContact CB-OD2 3.21Å; S480-D483 PolarHBondContact N-OD2 3.14Å; S480-D483 WeakPolarHBondContact O-CB 3.45Å; S480-D483 PolarHBondContact O-N 3.38Å; S480-D483 PolarHBondContact OG-N 2.75Å; S480-D483 PolarHBondContact OG-OD1 3.31Å; S480-D483 PolarHBondContact OG-OD2 3.23Å; P481-D483 VanDerWaalsContact C-N 3.34Å; P481-D483 PolarHBondContact O-N 3.3Å; D483-R486 PolarHBondContact O-N 2.95Å; D483-L487 PolarHBondContact O-N 3.47Å
484	V	87.8	Confident	87.9	Confident	0 Å²	0	57.7 Å²	57.7	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-62	-52	175	177.6	0	0	0	0	110.5	T478 S480 P481 N482 R486 L487 V488 A536 L538 Y546 V586	T478-V484 HydrophobicContact CG2-CG2 4.4Å; S480-V484 PolarHBondContact O-N 2.73Å; P481-V484 WeakPolarHBondContact O-CB 3.39Å; P481-V484 PolarHBondContact O-N 3.16Å; N482-V484 VanDerWaalsContact C-N 3.33Å; V484-R486 PolarHBondContact O-N 2.68Å; V484-L487 PolarHBondContact O-N 3.37Å; V484-V488 HydrophobicContact CG1-CB 4.48Å; V484-V488 PolarHBondContact O-N 2.91Å; V484-A536 HydrophobicContact CB-CB 4Å; V484-A536 HydrophobicContact CG1-CB 3.78Å; V484-L538 HydrophobicContact CG2-CD1 4.23Å; V484-L538 HydrophobicContact CG2-CD2 4.02Å; V484-L538 HydrophobicContact CG2-CG 4.48Å; V484-Y546 HydrophobicContact CG1-CD1 3.97Å; V484-Y546 HydrophobicContact CG1-CE1 4.02Å; V484-V586 HydrophobicContact CG1-CG2 3.95Å; V484-V586 HydrophobicContact CG2-CG1 4.35Å; V484-V586 HydrophobicContact CG2-CG2 4.18Å
485	D	88.7	Confident	88.1	Confident	27 Å²	27	56.2 Å²	56.2	14%	0.144	28%	0.275	C	S	.	.	H	α-helix	trans	-62.1	-25.3	-179.2	-74.8	-15.6	0	0	0	113	P481 F535 A536 K547	P481-D485 PolarHBondContact O-N 3.31Å; D485-F535 WeakPolarHBondContact OD2-CA 3.29Å; D485-A536 VanDerWaalsContact OD1-CB 3.25Å; D485-A536 WeakPolarHBondContact OD1-CB 3.2Å; D485-A536 PolarHBondContact OD1-N 3.41Å; D485-A536 VanDerWaalsContact OD1-N 3.16Å; D485-A536 PolarHBondContact OD2-N 3.05Å; D485-K547 HydrophobicContact CB-CD 4.44Å; D485-K547 VanDerWaalsContact OD1-CB 3.25Å; D485-K547 WeakPolarHBondContact OD1-CB 3.46Å
486	R	86.6	Confident	88.5	Confident	189 Å²	189	56.6 Å²	56.6	71%	0.713	27%	0.272	S	S	*	.	H	α-helix	trans	-73.1	-37.1	173.9	-77.5	170.6	-177.1	-172.4	2	112.7	N482 D483 V484	N482-R486 WeakPolarHBondContact O-CB 3.24Å; N482-R486 WeakPolarHBondContact O-CD 3.32Å; N482-R486 WeakPolarHBondContact O-CG 3.48Å; N482-R486 PolarHBondContact O-N 3.07Å; N482-R486 VanDerWaalsContact O-N 3.12Å; D483-R486 PolarHBondContact O-N 2.95Å; V484-R486 PolarHBondContact O-N 2.68Å
487	L	85.8	Confident	88.9	Confident	65 Å²	65	56.7 Å²	56.7	34%	0.34	29%	0.286	S	S	.	.	H	α-helix	trans	-101.2	-38	-170.6	-69.8	173.9	0	0	0	113.5	Y406 T478 D483 V484 D571 P572	Y406-L487 WeakPolarHBondContact OH-CD1 3.48Å; T478-L487 HydrophobicContact CG2-CD1 3.7Å; D483-L487 PolarHBondContact O-N 3.47Å; V484-L487 PolarHBondContact O-N 3.37Å; L487-D571 WeakPolarHBondContact O-CA 3.4Å; L487-P572 WeakPolarHBondContact O-CD 3.37Å
488	V	90.3	Very high	89.3	Confident	3 Å²	3	58 Å²	58	2%	0.018	29%	0.292	C	S	.	.			trans	-117	119	-177.9	-176.1	0	0	0	0	109	V484 Y546 H569 Y570 V584 V586	V484-V488 HydrophobicContact CG1-CB 4.48Å; V484-V488 PolarHBondContact O-N 2.91Å; V488-Y546 HydrophobicContact CB-CD1 4.19Å; V488-Y546 HydrophobicContact CB-CE1 4.03Å; V488-Y546 HydrophobicContact CG1-CD1 3.66Å; V488-Y546 HydrophobicContact CG1-CE1 3.49Å; V488-Y546 VanDerWaalsContact CG1-CE1 3.49Å; V488-H569 HydrophobicContact CG1-CB 3.79Å; V488-Y570 CarbonylContact C-O 3.54Å; V488-Y570 WeakPolarHBondContact CA-O 3.48Å; V488-V584 WeakPolarHBondContact CG1-O 3.25Å; V488-V584 HydrophobicContact CG2-CB 4.48Å; V488-V584 HydrophobicContact CG2-CG1 4Å; V488-V586 HydrophobicContact CG2-CG2 3.96Å
489	R	93.4	Very high	89.9	Confident	70 Å²	70	60.8 Å²	60.8	26%	0.264	31%	0.311	S	S	.	.	B	Isolated β-bridge	trans	-107.1	151.1	175.3	-60.8	-172.1	-168.8	169	2.7	109.6	E498 H569 Y570 P572	R489-E498 IonicContact CZ-OE2 3.85Å; R489-E498 IonicContact NH1-OE1 3.76Å; R489-E498 PolarHBondContact NH1-OE1 3.11Å; R489-E498 IonicContact NH1-OE2 3.11Å; R489-E498 PolarHBondContact NH1-OE2 3.4Å; R489-E498 IonicContact NH2-OE2 3.79Å; R489-H569 CarbonylContact O-C 3.51Å; R489-H569 WeakPolarHBondContact O-CA 3.13Å; R489-Y570 HydrophobicContact CB-CE1 3.99Å; R489-Y570 HydrophobicContact CB-CE2 4.25Å; R489-Y570 PolarHBondContact N-O 3.35Å; R489-Y570 WeakPolarHBondContact O-CD1 3.37Å; R489-Y570 PolarHBondContact O-N 3.31Å; R489-P572 HydrophobicContact CG-CG 3.95Å
490	A	94	Very high	90.5	Very high	1 Å²	1	56.2 Å²	56.2	1%	0.008	30%	0.298	C	S	.	.			trans	-139	35	173.2	0	0	0	0	0	111.6	Y546 R548 V567 H569	A490-Y546 HydrophobicContact CB-CG 4.44Å; A490-R548 HydrophobicContact CB-CG 4.4Å; A490-R548 VanDerWaalsContact CB-NH1 3.27Å; A490-R548 VanDerWaalsContact CB-NH2 3.27Å; A490-R548 VanDerWaalsContact O-CG 3.3Å; A490-R548 WeakPolarHBondContact O-CG 3.05Å; A490-V567 WeakPolarHBondContact O-CB 3.4Å; A490-H569 HydrophobicContact CB-CB 4.25Å
491	E	94.8	Very high	90.8	Very high	17 Å²	17	54.5 Å²	54.5	8%	0.079	29%	0.286	C	S	.	.	S	Bend	trans	-133.8	161.4	179.3	55.7	-177.1	-165.9	0	0	109.1	R549 N564 Y570	E491-R549 IonicContact OE1-CZ 3.61Å; E491-R549 IonicContact OE1-NE 2.71Å; E491-R549 PolarHBondContact OE1-NE 3.23Å; E491-R549 IonicContact OE1-NH2 3.83Å; E491-R549 PolarHBondContact OE1-NH2 3.47Å; E491-R549 IonicContact OE2-CZ 3.87Å; E491-R549 IonicContact OE2-NE 2.76Å; E491-R549 PolarHBondContact OE2-NE 2.73Å; E491-R549 IonicContact OE2-NH2 3.05Å; E491-N564 WeakPolarHBondContact CA-OD1 3.2Å; E491-N564 HydrophobicContact CB-CB 4.09Å; E491-Y570 WeakPolarHBondContact O-CE1 3.45Å; E491-Y570 PolarHBondContact O-OH 3.24Å
492	F	94.5	Very high	91.3	Very high	6 Å²	6	55 Å²	55	3%	0.026	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-64.3	134.2	173.9	-72.1	-66.9	0	0	0	110.3	Y502 V505 I510 N553 M555 N564 V567	F492-Y502 HydrophobicContact CB-CD2 4.43Å; F492-Y502 HydrophobicContact CB-CE2 4.19Å; F492-Y502 HydrophobicContact CD1-CE2 4.22Å; F492-Y502 HydrophobicContact CG-CE2 4.41Å; F492-V505 HydrophobicContact CD1-CG1 4.13Å; F492-V505 HydrophobicContact CE1-CG1 4.46Å; F492-I510 HydrophobicContact CE1-CD1 3.69Å; F492-I510 HydrophobicContact CE1-CG1 4.12Å; F492-I510 HydrophobicContact CZ-CD1 3.71Å; F492-I510 HydrophobicContact CZ-CG1 4.29Å; F492-N553 HydrophobicContact CB-CB 4.48Å; F492-M555 HydrophobicContact CE1-CG 4.12Å; F492-M555 HydrophobicContact CE1-SD 3.92Å; F492-M555 HydrophobicContact CE2-CG 4.37Å; F492-M555 HydrophobicContact CZ-CG 3.69Å; F492-M555 HydrophobicContact CZ-SD 4.01Å; F492-N564 VanDerWaalsContact CD2-OD1 3.28Å; F492-N564 WeakPolarHBondContact CD2-OD1 2.88Å; F492-N564 PolarHBondContact N-OD1 3.05Å; F492-V567 HydrophobicContact CD1-CG2 3.97Å; F492-V567 HydrophobicContact CD2-CG2 3.83Å; F492-V567 HydrophobicContact CE1-CG2 3.72Å; F492-V567 HydrophobicContact CE2-CG2 3.59Å; F492-V567 HydrophobicContact CG-CG2 4.01Å; F492-V567 HydrophobicContact CZ-CG2 3.52Å
493	P	93.8	Very high	91.4	Very high	4 Å²	4	54.9 Å²	54.9	3%	0.026	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-61.1	161.6	167.2	-16.9	27.8	0	0	0	111.2	S495 E498 L501 Y502 V505 Y570	P493-S495 PolarHBondContact O-N 3.04Å; P493-E498 HydrophobicContact CB-CB 4.03Å; P493-L501 HydrophobicContact CB-CB 4.36Å; P493-L501 HydrophobicContact CB-CD2 4.02Å; P493-L501 HydrophobicContact CB-CG 4.15Å; P493-L501 HydrophobicContact CG-CB 4.12Å; P493-L501 HydrophobicContact CG-CD2 3.71Å; P493-L501 HydrophobicContact CG-CG 3.53Å; P493-Y502 WeakPolarHBondContact O-CD2 3.2Å; P493-V505 HydrophobicContact CG-CB 4.16Å; P493-V505 HydrophobicContact CG-CG2 3.91Å; P493-Y570 WeakPolarHBondContact CD-OH 3.29Å; P493-Y570 WeakPolarHBondContact CG-OH 3.2Å
494	D	91.7	Very high	91.5	Very high	79 Å²	79	53.3 Å²	53.3	42%	0.422	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-68.8	125.3	170.9	-175.3	-72.8	0	0	0	110.2	Q496 A497 E498	D494-Q496 PolarHBondContact O-N 2.99Å; D494-Q496 WeakPolarHBondContact OD1-CA 3.47Å; D494-Q496 WeakPolarHBondContact OD1-CB 3.39Å; D494-Q496 PolarHBondContact OD1-N 3.2Å; D494-A497 HydrophobicContact CB-CB 4.01Å; D494-A497 PolarHBondContact OD1-N 2.97Å; D494-E498 CarbonylContact O-C 3.16Å; D494-E498 WeakPolarHBondContact O-CA 3.47Å; D494-E498 PolarHBondContact O-N 3.49Å
495	S	90.9	Very high	91.7	Very high	53 Å²	53	53.3 Å²	53.3	37%	0.371	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-21	-176	67.8	0	0	0	0	114.3	P493 P499	P493-S495 PolarHBondContact O-N 3.04Å; S495-P499 WeakPolarHBondContact O-CB 3.29Å
496	Q	91.7	Very high	91.7	Very high	162 Å²	162	52.9 Å²	52.9	76%	0.757	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	-42.5	-180	-58.4	-57.1	-55.3	0	0	111.5	D494	D494-Q496 PolarHBondContact O-N 2.99Å; D494-Q496 WeakPolarHBondContact OD1-CA 3.47Å; D494-Q496 WeakPolarHBondContact OD1-CB 3.39Å; D494-Q496 PolarHBondContact OD1-N 3.2Å
497	A	93.8	Very high	91.7	Very high	78 Å²	78	50.5 Å²	50.5	65%	0.645	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-36.1	-178.7	0	0	0	0	0	112.6	D494 P499	D494-A497 HydrophobicContact CB-CB 4.01Å; D494-A497 PolarHBondContact OD1-N 2.97Å; A497-P499 VanDerWaalsContact C-CD 3.41Å
498	E	93.7	Very high	91.6	Very high	58 Å²	58	49.6 Å²	49.6	27%	0.271	26%	0.259	S	S	.	.	S	Bend	trans	-127.7	55	-177.1	-61	-175.6	80.7	0	0	112	R489 P493 D494 L500 L501 Y502	R489-E498 IonicContact CZ-OE2 3.85Å; R489-E498 IonicContact NH1-OE1 3.76Å; R489-E498 PolarHBondContact NH1-OE1 3.11Å; R489-E498 IonicContact NH1-OE2 3.11Å; R489-E498 PolarHBondContact NH1-OE2 3.4Å; R489-E498 IonicContact NH2-OE2 3.79Å; P493-E498 HydrophobicContact CB-CB 4.03Å; D494-E498 CarbonylContact O-C 3.16Å; D494-E498 WeakPolarHBondContact O-CA 3.47Å; D494-E498 PolarHBondContact O-N 3.49Å; E498-L500 VanDerWaalsContact C-N 3.32Å; E498-L500 PolarHBondContact O-N 3.34Å; E498-L501 HydrophobicContact CB-CB 4.17Å; E498-L501 PolarHBondContact O-N 3.45Å; E498-L501 VanDerWaalsContact O-N 3.1Å; E498-L501 VanDerWaalsContact OE1-CD2 3.32Å; E498-L501 WeakPolarHBondContact OE1-CD2 3.42Å; E498-Y502 PolarHBondContact O-N 3.1Å
499	P	93.7	Very high	91.5	Very high	79 Å²	79	49.5 Å²	49.5	51%	0.513	26%	0.259	S	S	.	.	H	α-helix	trans	-59.8	-38.4	-168.7	22.7	-34.1	0	0	0	113.4	S495 A497 Y502 E503	S495-P499 WeakPolarHBondContact O-CB 3.29Å; A497-P499 VanDerWaalsContact C-CD 3.41Å; P499-Y502 PolarHBondContact O-N 3.26Å; P499-E503 PolarHBondContact O-N 2.77Å
500	L	91.2	Very high	91.3	Very high	65 Å²	65	47.3 Å²	47.3	34%	0.34	25%	0.252	S	S	.	.	H	α-helix	trans	-69.6	-41.5	178.9	-178.5	63.6	0	0	0	112	E498 Y502 E503 I504	E498-L500 VanDerWaalsContact C-N 3.32Å; E498-L500 PolarHBondContact O-N 3.34Å; L500-Y502 VanDerWaalsContact C-N 3.34Å; L500-E503 PolarHBondContact O-N 3.43Å; L500-I504 HydrophobicContact CD1-CD1 4.36Å; L500-I504 HydrophobicContact CG-CD1 4.1Å; L500-I504 WeakPolarHBondContact O-CD1 3.38Å; L500-I504 VanDerWaalsContact O-CG1 3.28Å; L500-I504 WeakPolarHBondContact O-CG1 3.28Å; L500-I504 PolarHBondContact O-N 3.47Å; L500-I504 VanDerWaalsContact O-N 3.11Å
501	L	92.3	Very high	90.8	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	26%	0.257	C	S	.	.	H	α-helix	trans	-67.6	-40.5	177	-177.9	65.4	0	0	0	110	P493 E498 E503 I504 V505 Y570 P572 T575 M576	P493-L501 HydrophobicContact CB-CB 4.36Å; P493-L501 HydrophobicContact CB-CD2 4.02Å; P493-L501 HydrophobicContact CB-CG 4.15Å; P493-L501 HydrophobicContact CG-CB 4.12Å; P493-L501 HydrophobicContact CG-CD2 3.71Å; P493-L501 HydrophobicContact CG-CG 3.53Å; E498-L501 HydrophobicContact CB-CB 4.17Å; E498-L501 PolarHBondContact O-N 3.45Å; E498-L501 VanDerWaalsContact O-N 3.1Å; E498-L501 VanDerWaalsContact OE1-CD2 3.32Å; E498-L501 WeakPolarHBondContact OE1-CD2 3.42Å; L501-E503 VanDerWaalsContact C-N 3.33Å; L501-E503 PolarHBondContact O-N 3.1Å; L501-I504 PolarHBondContact O-N 2.78Å; L501-V505 HydrophobicContact CD1-CG2 3.96Å; L501-V505 HydrophobicContact CG-CG2 4.11Å; L501-V505 WeakPolarHBondContact O-CB 3.14Å; L501-V505 VanDerWaalsContact O-CG2 3.28Å; L501-V505 WeakPolarHBondContact O-CG2 3.26Å; L501-V505 PolarHBondContact O-N 3.07Å; L501-Y570 HydrophobicContact CD1-CE2 4.06Å; L501-Y570 HydrophobicContact CD2-CE2 4.24Å; L501-Y570 HydrophobicContact CG-CE2 4.39Å; L501-P572 HydrophobicContact CD1-CB 4.46Å; L501-P572 HydrophobicContact CD2-CB 3.76Å; L501-P572 HydrophobicContact CD2-CG 4.32Å; L501-T575 HydrophobicContact CD1-CG2 3.9Å; L501-M576 HydrophobicContact CB-CG 4.32Å; L501-M576 HydrophobicContact CB-SD 4.44Å; L501-M576 HydrophobicContact CD1-CG 3.86Å
502	Y	93.8	Very high	90.1	Very high	60 Å²	60	49.8 Å²	49.8	24%	0.235	28%	0.276	C	S	.	.	H	α-helix	trans	-57.2	-45.3	173.8	-178.9	-95.4	0	0	0	111.6	F492 P493 E498 P499 L500 I504 V505 S506	F492-Y502 HydrophobicContact CB-CD2 4.43Å; F492-Y502 HydrophobicContact CB-CE2 4.19Å; F492-Y502 HydrophobicContact CD1-CE2 4.22Å; F492-Y502 HydrophobicContact CG-CE2 4.41Å; P493-Y502 WeakPolarHBondContact O-CD2 3.2Å; E498-Y502 PolarHBondContact O-N 3.1Å; P499-Y502 PolarHBondContact O-N 3.26Å; L500-Y502 VanDerWaalsContact C-N 3.34Å; Y502-I504 PolarHBondContact O-N 2.83Å; Y502-V505 PolarHBondContact O-N 3.21Å; Y502-S506 WeakPolarHBondContact O-CB 3.37Å; Y502-S506 PolarHBondContact O-N 3.03Å; Y502-S506 PolarHBondContact O-OG 3.23Å
503	E	91.2	Very high	89.2	Confident	90 Å²	90	50.8 Å²	50.8	42%	0.421	28%	0.281	S	S	.	.	H	α-helix	trans	-60.1	-43.8	176.2	-170.1	-169.7	170.2	0	0	112.3	P499 L500 L501 S506 K507	P499-E503 PolarHBondContact O-N 2.77Å; L500-E503 PolarHBondContact O-N 3.43Å; L501-E503 VanDerWaalsContact C-N 3.33Å; L501-E503 PolarHBondContact O-N 3.1Å; E503-S506 WeakPolarHBondContact CA-OG 3.41Å; E503-S506 PolarHBondContact O-OG 2.82Å; E503-K507 HydrophobicContact CG-CD 4.19Å; E503-K507 WeakPolarHBondContact O-CB 3.03Å; E503-K507 WeakPolarHBondContact O-CG 3.21Å; E503-K507 PolarHBondContact O-N 2.85Å; E503-K507 IonicContact OE1-NZ 4Å; E503-K507 PolarHBondContact OE1-NZ 2.95Å
504	I	88.8	Confident	88.2	Confident	11 Å²	11	50.7 Å²	50.7	6%	0.056	28%	0.28	C	S	.	.	H	α-helix	trans	-68.9	-47.2	-179.5	-63.5	159.9	0	0	0	110.5	L500 L501 Y502 K507 N508 T575 R579	L500-I504 HydrophobicContact CD1-CD1 4.36Å; L500-I504 HydrophobicContact CG-CD1 4.1Å; L500-I504 WeakPolarHBondContact O-CD1 3.38Å; L500-I504 VanDerWaalsContact O-CG1 3.28Å; L500-I504 WeakPolarHBondContact O-CG1 3.28Å; L500-I504 PolarHBondContact O-N 3.47Å; L500-I504 VanDerWaalsContact O-N 3.11Å; L501-I504 PolarHBondContact O-N 2.78Å; Y502-I504 PolarHBondContact O-N 2.83Å; I504-K507 PolarHBondContact O-N 2.84Å; I504-N508 WeakPolarHBondContact O-CB 3.28Å; I504-N508 PolarHBondContact O-N 2.92Å; I504-T575 HydrophobicContact CB-CG2 4.4Å; I504-T575 HydrophobicContact CG2-CG2 3.53Å; I504-R579 HydrophobicContact CD1-CB 4.18Å; I504-R579 HydrophobicContact CD1-CG 3.99Å
505	V	90.9	Very high	87.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.3	-46	-178.8	170.1	0	0	0	0	110.5	F492 P493 L501 Y502 K507 V509 I510 V567 Y570	F492-V505 HydrophobicContact CD1-CG1 4.13Å; F492-V505 HydrophobicContact CE1-CG1 4.46Å; P493-V505 HydrophobicContact CG-CB 4.16Å; P493-V505 HydrophobicContact CG-CG2 3.91Å; L501-V505 HydrophobicContact CD1-CG2 3.96Å; L501-V505 HydrophobicContact CG-CG2 4.11Å; L501-V505 WeakPolarHBondContact O-CB 3.14Å; L501-V505 VanDerWaalsContact O-CG2 3.28Å; L501-V505 WeakPolarHBondContact O-CG2 3.26Å; L501-V505 PolarHBondContact O-N 3.07Å; Y502-V505 PolarHBondContact O-N 3.21Å; V505-K507 VanDerWaalsContact C-N 3.26Å; V505-K507 PolarHBondContact O-N 3.43Å; V505-V509 HydrophobicContact CB-CB 4.4Å; V505-V509 HydrophobicContact CG1-CB 4.16Å; V505-V509 HydrophobicContact CG2-CB 4.46Å; V505-V509 HydrophobicContact CG2-CG2 4.3Å; V505-V509 PolarHBondContact O-N 3.34Å; V505-I510 WeakPolarHBondContact O-CG1 3.28Å; V505-V567 HydrophobicContact CG1-CG1 4.08Å; V505-Y570 HydrophobicContact CG1-CE1 4.03Å; V505-Y570 HydrophobicContact CG2-CD1 4.37Å; V505-Y570 HydrophobicContact CG2-CD2 4.06Å; V505-Y570 HydrophobicContact CG2-CE1 3.92Å; V505-Y570 HydrophobicContact CG2-CE2 3.58Å; V505-Y570 HydrophobicContact CG2-CG 4.45Å
506	S	89.7	Confident	86	Confident	19 Å²	19	56.4 Å²	56.4	13%	0.133	30%	0.299	C	S	.	.	H	α-helix	trans	-62.9	-30.1	179.7	57.1	0	0	0	0	113.9	Y502 E503 I510 M555	Y502-S506 WeakPolarHBondContact O-CB 3.37Å; Y502-S506 PolarHBondContact O-N 3.03Å; Y502-S506 PolarHBondContact O-OG 3.23Å; E503-S506 WeakPolarHBondContact CA-OG 3.41Å; E503-S506 PolarHBondContact O-OG 2.82Å; S506-I510 WeakPolarHBondContact O-CD1 3.46Å; S506-M555 VanDerWaalsContact CB-SD 3.56Å
507	K	86.3	Confident	84.9	Confident	138 Å²	138	54.2 Å²	54.2	60%	0.6	29%	0.287	S	S	*	.	H	α-helix	trans	-89.7	-41.1	179.8	-72.5	176.7	-178.6	174.5	0	113.4	E503 I504 V505	E503-K507 HydrophobicContact CG-CD 4.19Å; E503-K507 WeakPolarHBondContact O-CB 3.03Å; E503-K507 WeakPolarHBondContact O-CG 3.21Å; E503-K507 PolarHBondContact O-N 2.85Å; E503-K507 IonicContact OE1-NZ 4Å; E503-K507 PolarHBondContact OE1-NZ 2.95Å; I504-K507 PolarHBondContact O-N 2.84Å; V505-K507 VanDerWaalsContact C-N 3.26Å; V505-K507 PolarHBondContact O-N 3.43Å
508	N	83.6	Confident	83.7	Confident	47 Å²	47	53.7 Å²	53.7	25%	0.251	27%	0.274	S	S	.	.	H	α-helix	trans	-110.5	-39.6	-165.6	-61	-28.2	0	0	0	111.8	I504 I510 R579 H581	I504-N508 WeakPolarHBondContact O-CB 3.28Å; I504-N508 PolarHBondContact O-N 2.92Å; N508-I510 VanDerWaalsContact C-N 3.32Å; N508-I510 PolarHBondContact O-N 3.19Å; N508-R579 PolarHBondContact ND2-O 3.02Å; N508-H581 PolarHBondContact O-CD2 2.84Å; N508-H581 PolarHBondContact O-NE2 2.82Å
509	V	88.6	Confident	82.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	-97	20.4	-165	-166	0	0	0	0	112.5	V505 V568 Y570 T575 Y583	V505-V509 HydrophobicContact CB-CB 4.4Å; V505-V509 HydrophobicContact CG1-CB 4.16Å; V505-V509 HydrophobicContact CG2-CB 4.46Å; V505-V509 HydrophobicContact CG2-CG2 4.3Å; V505-V509 PolarHBondContact O-N 3.34Å; V509-V568 HydrophobicContact CG1-CB 4.42Å; V509-V568 WeakPolarHBondContact CG1-O 3.46Å; V509-V568 PolarHBondContact O-N 3.46Å; V509-Y570 HydrophobicContact CG1-CD1 3.63Å; V509-Y570 HydrophobicContact CG1-CG 3.88Å; V509-T575 HydrophobicContact CG2-CG2 4.32Å; V509-Y583 HydrophobicContact CG1-CD1 4.42Å; V509-Y583 HydrophobicContact CG1-CE1 4.24Å
510	I	87.9	Confident	80.9	Confident	25 Å²	25	60.2 Å²	60.2	13%	0.128	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-99.2	135.6	175.1	-53.6	-171.2	0	0	0	109.7	F492 V505 S506 N508 M555 L562 W566	F492-I510 HydrophobicContact CE1-CD1 3.69Å; F492-I510 HydrophobicContact CE1-CG1 4.12Å; F492-I510 HydrophobicContact CZ-CD1 3.71Å; F492-I510 HydrophobicContact CZ-CG1 4.29Å; V505-I510 WeakPolarHBondContact O-CG1 3.28Å; S506-I510 WeakPolarHBondContact O-CD1 3.46Å; N508-I510 VanDerWaalsContact C-N 3.32Å; N508-I510 PolarHBondContact O-N 3.19Å; I510-M555 HydrophobicContact CD1-CE 4.03Å; I510-M555 HydrophobicContact CD1-CG 4.09Å; I510-M555 HydrophobicContact CD1-SD 3.12Å; I510-M555 WeakPolarHBondContact CD1-SD 3.37Å; I510-L562 HydrophobicContact CG2-CD1 3.68Å; I510-W566 HydrophobicContact CG2-CB 4.13Å
511	H	84.7	Confident	79.4	Confident	23 Å²	23	57.2 Å²	57.2	11%	0.106	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-68.6	134.7	171.6	-167	-82.9	0	0	0	110.5	F528 W566 V568	H511-F528 HydrophobicContact CB-CB 4.44Å; H511-F528 HydrophobicContact CB-CD1 3.82Å; H511-F528 HydrophobicContact CB-CD2 4.12Å; H511-F528 HydrophobicContact CB-CE1 4.04Å; H511-F528 HydrophobicContact CB-CE2 4.32Å; H511-F528 HydrophobicContact CB-CG 3.87Å; H511-F528 HydrophobicContact CB-CZ 4.29Å; H511-F528 AromaticContact CD2-CD2 3.39Å; H511-F528 WeakPolarHBondContact CD2-CD2 3.3Å; H511-F528 AromaticContact CD2-CE2 3.58Å; H511-F528 AromaticContact CD2-CG 3.98Å; H511-F528 AromaticContact CG-CD2 3.58Å; H511-F528 AromaticContact CG-CG 3.67Å; H511-F528 AromaticContact ND1-CG 3.98Å; H511-F528 AromaticContact NE2-CD2 3.77Å; H511-W566 WeakPolarHBondContact CB-O 3.46Å; H511-W566 PolarHBondContact N-O 2.74Å; H511-V568 HydrophobicContact CB-CG2 3.82Å
512	G	78.6	Confident	77.7	Confident	46 Å²	46	63.5 Å²	63.5	47%	0.474	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-59.9	148.8	174.1	0	0	0	0	0	112	C514	G512-C514 PolarHBondContact O-N 2.82Å
513	L	76.7	Confident	76.3	Confident	28 Å²	28	61.5 Å²	61.5	15%	0.147	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-49.6	127.2	176.8	-66.8	178.1	0	0	0	111.1	F517 N518 V560 L562 W566	L513-F517 HydrophobicContact CB-CB 3.79Å; L513-F517 HydrophobicContact CB-CG 4.41Å; L513-F517 HydrophobicContact CD1-CB 4.42Å; L513-F517 HydrophobicContact CD2-CD2 4.21Å; L513-F517 HydrophobicContact CD2-CG 4.29Å; L513-F517 HydrophobicContact CG-CB 4.49Å; L513-N518 WeakPolarHBondContact O-CB 3.4Å; L513-V560 HydrophobicContact CD1-CG2 3.97Å; L513-V560 HydrophobicContact CD2-CB 4.22Å; L513-V560 HydrophobicContact CD2-CG1 4.08Å; L513-V560 HydrophobicContact CD2-CG2 4.34Å; L513-L562 HydrophobicContact CD2-CD2 3.74Å; L513-W566 HydrophobicContact CD2-CH2 4.12Å; L513-W566 HydrophobicContact CD2-CZ3 4.22Å
514	C	71.6	Confident	74.5	Confident	1 Å²	1	62.3 Å²	62.3	1%	0.007	33%	0.328	C	S	.	.			trans	-139.5	173.5	-175.4	65.2	0	0	0	0	111.9	G512 D516 C523 F528	G512-C514 PolarHBondContact O-N 2.82Å; C514-D516 PolarHBondContact O-N 2.93Å; C514-C523 HydrophobicContact CB-CB 4.19Å; C514-C523 WeakPolarHBondContact CB-SG 3.21Å; C514-F528 WeakPolarHBondContact SG-CB 3.41Å; C514-F528 PolarHBondContact SG-O 3.4Å
515	R	68.6	Low	73	Confident	102 Å²	102	67.5 Å²	67.5	39%	0.385	36%	0.36	S	S	.	.	B	Isolated β-bridge	trans	59.4	-111.4	-176	-62.6	-176.2	170.6	-161.9	-2.3	111.6	F517 N518 P519 R527 F528	R515-F517 PolarHBondContact O-N 2.92Å; R515-F517 VanDerWaalsContact O-N 3.15Å; R515-N518 CarbonylContact O-C 3.48Å; R515-N518 PolarHBondContact O-N 2.94Å; R515-P519 VanDerWaalsContact O-CA 3.27Å; R515-P519 WeakPolarHBondContact O-CA 3.37Å; R515-P519 WeakPolarHBondContact O-CD 3.31Å; R515-R527 VanDerWaalsContact NH2-CB 3.27Å; R515-R527 VanDerWaalsContact NH2-CG 3.34Å; R515-F528 WeakPolarHBondContact CD-O 3.44Å; R515-F528 PolarHBondContact NE-O 3.2Å
516	D	69.2	Low	71.6	Confident	150 Å²	150	71.9 Å²	71.9	80%	0.802	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.2	-171.5	-51.8	-29.9	0	0	0	111.6	C514	C514-D516 PolarHBondContact O-N 2.93Å
517	F	69.2	Low	70.6	Confident	116 Å²	116	78.8 Å²	78.8	51%	0.509	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-19.7	176.8	-59.8	-77.7	0	0	0	113.8	L513 R515 V560 W566	L513-F517 HydrophobicContact CB-CB 3.79Å; L513-F517 HydrophobicContact CB-CG 4.41Å; L513-F517 HydrophobicContact CD1-CB 4.42Å; L513-F517 HydrophobicContact CD2-CD2 4.21Å; L513-F517 HydrophobicContact CD2-CG 4.29Å; L513-F517 HydrophobicContact CG-CB 4.49Å; R515-F517 PolarHBondContact O-N 2.92Å; R515-F517 VanDerWaalsContact O-N 3.15Å; F517-V560 HydrophobicContact CD1-CG2 4.16Å; F517-V560 HydrophobicContact CE1-CG1 4.12Å; F517-V560 HydrophobicContact CE1-CG2 3.79Å; F517-V560 HydrophobicContact CE2-CG1 4.34Å; F517-V560 HydrophobicContact CZ-CG1 3.81Å; F517-V560 HydrophobicContact CZ-CG2 4.34Å; F517-W566 HydrophobicContact CD2-CH2 4.06Å; F517-W566 HydrophobicContact CD2-CZ2 4.35Å; F517-W566 HydrophobicContact CE2-CH2 4.29Å; F517-W566 HydrophobicContact CE2-CZ2 4.11Å
518	N	67.6	Low	70.3	Confident	68 Å²	68	72.8 Å²	72.8	36%	0.364	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-153	78.8	178.5	-174.6	10.2	0	0	0	110.8	L513 R515 F520 G521	L513-N518 WeakPolarHBondContact O-CB 3.4Å; R515-N518 CarbonylContact O-C 3.48Å; R515-N518 PolarHBondContact O-N 2.94Å; N518-F520 PolarHBondContact O-N 2.91Å; N518-G521 PolarHBondContact O-N 2.91Å; N518-G521 VanDerWaalsContact O-N 3.12Å; N518-G521 PolarHBondContact OD1-N 2.87Å
519	P	63.2	Low	70.4	Confident	79 Å²	79	72.7 Å²	72.7	51%	0.513	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-18.7	-172.2	21.9	-30.7	0	0	0	113.4	R515	R515-P519 VanDerWaalsContact O-CA 3.27Å; R515-P519 WeakPolarHBondContact O-CA 3.37Å; R515-P519 WeakPolarHBondContact O-CD 3.31Å
520	F	64.5	Low	70.3	Confident	194 Å²	194	76.3 Å²	76.3	85%	0.851	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.5	7.4	177.5	-54.5	-73.3	0	0	0	113.1	N518	N518-F520 PolarHBondContact O-N 2.91Å
521	G	59.8	Low	70.4	Confident	3 Å²	3	77.3 Å²	77.3	3%	0.031	41%	0.414	C	S	.	.	S	Bend	trans	-67.6	144.9	177.8	0	0	0	0	0	111.6	N518 C523 I524	N518-G521 PolarHBondContact O-N 2.91Å; N518-G521 VanDerWaalsContact O-N 3.12Å; N518-G521 PolarHBondContact OD1-N 2.87Å; G521-C523 PolarHBondContact O-N 3.49Å; G521-I524 WeakPolarHBondContact O-CG1 3.43Å
522	P	57.8	Low	70.7	Confident	133 Å²	133	79.3 Å²	79.3	86%	0.864	42%	0.423	S	S	*	.	G	3₁₀ helix	trans	-63.1	-10.1	176.8	26.7	-34.7	0	0	0	113.4	I524	P522-I524 VanDerWaalsContact C-N 3.33Å; P522-I524 PolarHBondContact O-N 2.82Å
523	C	64.3	Low	71.3	Confident	18 Å²	18	80.9 Å²	80.9	12%	0.122	41%	0.414	C	S	.	.	G	3₁₀ helix	trans	-85	11.6	-175.3	48.4	0	0	0	0	115.2	C514 G521 V525 N526	C514-C523 HydrophobicContact CB-CB 4.19Å; C514-C523 WeakPolarHBondContact CB-SG 3.21Å; G521-C523 PolarHBondContact O-N 3.49Å; C523-V525 PolarHBondContact O-N 2.94Å; C523-V525 VanDerWaalsContact O-N 3.11Å; C523-N526 PolarHBondContact O-N 3.45Å
524	I	54	Low	72	Confident	108 Å²	108	84.6 Å²	84.6	55%	0.554	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-51.4	-35.4	172.7	-64.6	164.3	0	0	0	110.9	G521 P522	G521-I524 WeakPolarHBondContact O-CG1 3.43Å; P522-I524 VanDerWaalsContact C-N 3.33Å; P522-I524 PolarHBondContact O-N 2.82Å
525	V	56.3	Low	72.8	Confident	119 Å²	119	90.3 Å²	90.3	72%	0.721	46%	0.46	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-35.8	178.9	-169.9	0	0	0	0	113	C523 R527	C523-V525 PolarHBondContact O-N 2.94Å; C523-V525 VanDerWaalsContact O-N 3.11Å; V525-R527 VanDerWaalsContact C-N 3.27Å; V525-R527 PolarHBondContact O-N 2.86Å
526	N	60.7	Low	73.7	Confident	92 Å²	92	85.8 Å²	85.8	49%	0.492	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-7.6	-172.1	-71.3	-14.3	0	0	0	113.8	C523 F528 K530	C523-N526 PolarHBondContact O-N 3.45Å; N526-F528 HydrophobicContact CB-CD2 4.36Å; N526-F528 WeakPolarHBondContact O-CD2 3.38Å; N526-F528 PolarHBondContact O-N 2.72Å; N526-K530 WeakPolarHBondContact O-CE 3.43Å; N526-K530 PolarHBondContact O-NZ 3.25Å
527	R	68.5	Low	74.4	Confident	164 Å²	164	80.6 Å²	80.6	62%	0.619	42%	0.416	S	S	*	.			trans	47.5	51.8	168.9	-60.6	-173	-175.6	-179.2	2.5	114.7	R515 V525 K530	R515-R527 VanDerWaalsContact NH2-CB 3.27Å; R515-R527 VanDerWaalsContact NH2-CG 3.34Å; V525-R527 VanDerWaalsContact C-N 3.27Å; V525-R527 PolarHBondContact O-N 2.86Å; R527-K530 WeakPolarHBondContact O-CD 3.46Å
528	F	80.1	Confident	74.7	Confident	13 Å²	13	77.3 Å²	77.3	6%	0.057	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-88.6	151.8	164.1	-79.3	-97.4	0	0	0	110.4	H511 C514 R515 N526 K530 R565 W566 V568	H511-F528 HydrophobicContact CB-CB 4.44Å; H511-F528 HydrophobicContact CB-CD1 3.82Å; H511-F528 HydrophobicContact CB-CD2 4.12Å; H511-F528 HydrophobicContact CB-CE1 4.04Å; H511-F528 HydrophobicContact CB-CE2 4.32Å; H511-F528 HydrophobicContact CB-CG 3.87Å; H511-F528 HydrophobicContact CB-CZ 4.29Å; H511-F528 AromaticContact CD2-CD2 3.39Å; H511-F528 WeakPolarHBondContact CD2-CD2 3.3Å; H511-F528 AromaticContact CD2-CE2 3.58Å; H511-F528 AromaticContact CD2-CG 3.98Å; H511-F528 AromaticContact CG-CD2 3.58Å; H511-F528 AromaticContact CG-CG 3.67Å; H511-F528 AromaticContact ND1-CG 3.98Å; H511-F528 AromaticContact NE2-CD2 3.77Å; C514-F528 WeakPolarHBondContact SG-CB 3.41Å; C514-F528 PolarHBondContact SG-O 3.4Å; R515-F528 WeakPolarHBondContact CD-O 3.44Å; R515-F528 PolarHBondContact NE-O 3.2Å; N526-F528 HydrophobicContact CB-CD2 4.36Å; N526-F528 WeakPolarHBondContact O-CD2 3.38Å; N526-F528 PolarHBondContact O-N 2.72Å; F528-K530 HydrophobicContact CD1-CG 3.97Å; F528-K530 HydrophobicContact CE1-CG 3.8Å; F528-K530 HydrophobicContact CE2-CG 4.49Å; F528-K530 HydrophobicContact CG-CG 4.39Å; F528-K530 HydrophobicContact CZ-CG 4.08Å; F528-R565 WeakPolarHBondContact CD1-O 3.43Å; F528-W566 HydrophobicContact CB-CE3 4.39Å; F528-W566 HydrophobicContact CB-CZ3 4.38Å; F528-V568 HydrophobicContact CE1-CG2 4.32Å; F528-V568 HydrophobicContact CZ-CG2 3.91Å
529	P	86.1	Confident	74.6	Confident	44 Å²	44	82.7 Å²	82.7	29%	0.286	43%	0.427	S	S	.	.	S	Bend	cis	-65.2	146.5	-7.8	26.5	-32	0	0	0	112.3	R565 W566	P529-R565 HydrophobicContact CB-CB 3.6Å; P529-W566 HydrophobicContact CB-CD2 4.28Å; P529-W566 HydrophobicContact CB-CZ2 4.09Å; P529-W566 HydrophobicContact CG-CZ2 3.97Å
530	K	87.7	Confident	74.5	Confident	77 Å²	77	81.1 Å²	81.1	34%	0.335	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-78.3	169.3	175	-64.8	-69.7	178.2	179.4	0	111.2	N526 R527 F528 R565	N526-K530 WeakPolarHBondContact O-CE 3.43Å; N526-K530 PolarHBondContact O-NZ 3.25Å; R527-K530 WeakPolarHBondContact O-CD 3.46Å; F528-K530 HydrophobicContact CD1-CG 3.97Å; F528-K530 HydrophobicContact CE1-CG 3.8Å; F528-K530 HydrophobicContact CE2-CG 4.49Å; F528-K530 HydrophobicContact CG-CG 4.39Å; F528-K530 HydrophobicContact CZ-CG 4.08Å; K530-R565 PolarHBondContact N-O 3.41Å; K530-R565 WeakPolarHBondContact O-CB 3.4Å; K530-R565 VanDerWaalsContact O-CD 3.23Å; K530-R565 WeakPolarHBondContact O-CD 3.41Å; K530-R565 WeakPolarHBondContact O-CG 2.92Å
531	G	88.8	Confident	74	Confident	45 Å²	45	80.8 Å²	80.8	46%	0.464	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-72.4	154	172.9	0	0	0	0	0	112.2	R548	G531-R548 WeakPolarHBondContact O-CD 3.3Å
532	F	92.3	Very high	74	Confident	66 Å²	66	83.2 Å²	83.2	29%	0.289	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-72.7	144.8	165.1	-67.1	-62	0	0	0	110.2	R548 D550 D563 N564 R565	F532-R548 CarbonylContact C-O 3.41Å; F532-R548 VanDerWaalsContact CA-O 3.25Å; F532-R548 WeakPolarHBondContact CA-O 3.32Å; F532-R548 WeakPolarHBondContact CB-O 3.25Å; F532-R548 HydrophobicContact CD1-CB 4.44Å; F532-R548 WeakPolarHBondContact CD1-O 3.47Å; F532-D550 HydrophobicContact CB-CB 4.5Å; F532-D550 HydrophobicContact CD1-CB 3.98Å; F532-D550 HydrophobicContact CD2-CB 3.95Å; F532-D550 HydrophobicContact CE1-CB 4.05Å; F532-D550 HydrophobicContact CE2-CB 4.04Å; F532-D550 HydrophobicContact CG-CB 3.92Å; F532-D550 HydrophobicContact CZ-CB 4.09Å; F532-D563 HydrophobicContact CZ-CB 4.47Å; F532-N564 HydrophobicContact CE1-CB 4.49Å; F532-R565 HydrophobicContact CD1-CG 3.67Å; F532-R565 HydrophobicContact CD2-CG 4.29Å; F532-R565 HydrophobicContact CE1-CG 3.44Å; F532-R565 VanDerWaalsContact CE1-CG 3.44Å; F532-R565 HydrophobicContact CE2-CG 4.09Å; F532-R565 HydrophobicContact CG-CG 4.1Å; F532-R565 HydrophobicContact CZ-CG 3.66Å
533	R	90.5	Very high	74.6	Confident	78 Å²	78	81.2 Å²	81.2	29%	0.294	41%	0.407	S	S	.	.	B	Isolated β-bridge	trans	-153.8	141.3	176.4	-72	-164.3	178.3	-133.7	8.1	110.6	D537 E545 R548	R533-D537 IonicContact CZ-OD2 3.6Å; R533-D537 IonicContact NH1-OD2 2.58Å; R533-D537 PolarHBondContact NH1-OD2 3.34Å; R533-D537 IonicContact NH2-OD2 3.66Å; R533-E545 IonicContact CZ-OE2 3.64Å; R533-E545 IonicContact NE-OE2 2.7Å; R533-E545 PolarHBondContact NE-OE2 3.38Å; R533-E545 IonicContact NH2-OE1 3Å; R533-E545 IonicContact NH2-OE2 3.82Å; R533-E545 PolarHBondContact NH2-OE2 3.35Å; R533-R548 PolarHBondContact N-O 2.93Å; R533-R548 CarbonylContact O-C 3.53Å; R533-R548 PolarHBondContact O-N 2.88Å; R533-R548 VanDerWaalsContact O-O 3.08Å
534	D	90.7	Very high	75.2	Confident	106 Å²	106	80.7 Å²	80.7	57%	0.567	40%	0.403	S	S	*	.	S	Bend	trans	-82.3	-21	179.3	-64.6	-41.7	0	0	0	113.9	K547	D534-K547 WeakPolarHBondContact O-CD 3.03Å; D534-K547 WeakPolarHBondContact O-CE 3.11Å; D534-K547 WeakPolarHBondContact O-CG 3.5Å; D534-K547 PolarHBondContact O-NZ 3.38Å
535	F	88.9	Confident	76.7	Confident	122 Å²	122	79.2 Å²	79.2	54%	0.535	39%	0.394	S	S	.	.	S	Bend	trans	-143.6	156.2	-177.9	-57.4	-80.2	0	0	0	111.2	D485	D485-F535 WeakPolarHBondContact OD2-CA 3.29Å
536	A	87	Confident	78.3	Confident	7 Å²	7	74 Å²	74	6%	0.058	36%	0.361	C	S	.	.			trans	-63.1	151.3	168.8	0	0	0	0	0	112.4	P481 V484 D485 E545	P481-A536 HydrophobicContact CB-CB 4.28Å; P481-A536 WeakPolarHBondContact CB-O 3.19Å; V484-A536 HydrophobicContact CB-CB 4Å; V484-A536 HydrophobicContact CG1-CB 3.78Å; D485-A536 VanDerWaalsContact OD1-CB 3.25Å; D485-A536 WeakPolarHBondContact OD1-CB 3.2Å; D485-A536 PolarHBondContact OD1-N 3.41Å; D485-A536 VanDerWaalsContact OD1-N 3.16Å; D485-A536 PolarHBondContact OD2-N 3.05Å; A536-E545 CarbonylContact C-O 3.59Å; A536-E545 VanDerWaalsContact CA-O 3.27Å; A536-E545 WeakPolarHBondContact CA-O 3.25Å
537	D	83.4	Confident	79.9	Confident	40 Å²	40	71.8 Å²	71.8	21%	0.214	35%	0.348	C	S	.	.	B	Isolated β-bridge	trans	-129.7	121	176.3	-175.4	-3.5	0	0	0	109.4	R533 E539 P544 E545	R533-D537 IonicContact CZ-OD2 3.6Å; R533-D537 IonicContact NH1-OD2 2.58Å; R533-D537 PolarHBondContact NH1-OD2 3.34Å; R533-D537 IonicContact NH2-OD2 3.66Å; D537-E539 PolarHBondContact OD1-N 2.88Å; D537-P544 VanDerWaalsContact O-CA 3.26Å; D537-P544 WeakPolarHBondContact O-CA 3.24Å; D537-P544 WeakPolarHBondContact O-CB 3.37Å; D537-E545 PolarHBondContact N-O 3.43Å; D537-E545 PolarHBondContact O-N 3.13Å
538	L	76.6	Confident	81.1	Confident	47 Å²	47	64.5 Å²	64.5	25%	0.246	32%	0.32	C	S	.	.			trans	-102.2	-6.4	-176.2	-66.5	178.3	0	0	0	112.9	V484 I540 P544 V586	V484-L538 HydrophobicContact CG2-CD1 4.23Å; V484-L538 HydrophobicContact CG2-CD2 4.02Å; V484-L538 HydrophobicContact CG2-CG 4.48Å; L538-I540 PolarHBondContact O-N 3.17Å; L538-P544 HydrophobicContact CD2-CB 3.73Å; L538-V586 HydrophobicContact CD2-CG1 4.39Å
539	E	65.7	Low	81.7	Confident	182 Å²	182	68.8 Å²	68.8	85%	0.85	34%	0.336	S	S	*	.			trans	-87.2	-2	-169.7	-65.5	-171.7	169.7	0	0	114.1	D537 E541	D537-E539 PolarHBondContact OD1-N 2.88Å; E539-E541 PolarHBondContact O-N 3.06Å
540	I	60.1	Low	82	Confident	46 Å²	46	72 Å²	72	24%	0.236	35%	0.351	C	S	.	.	S	Bend	trans	-77.5	126.8	-178.9	-57.9	168.9	0	0	0	109.2	L538 S542 E545	L538-I540 PolarHBondContact O-N 3.17Å; I540-S542 PolarHBondContact O-N 3.45Å; I540-E545 HydrophobicContact CD1-CB 3.97Å; I540-E545 HydrophobicContact CD1-CG 3.51Å; I540-E545 WeakPolarHBondContact CD1-OE1 3.11Å
541	E	55	Low	82	Confident	186 Å²	186	71.1 Å²	71.1	87%	0.869	35%	0.35	S	S	*	.	S	Bend	trans	-54.2	-9.6	-176.4	-70.9	-167.9	154.5	0	0	115.9	E539	E539-E541 PolarHBondContact O-N 3.06Å
542	S	59.6	Low	81.7	Confident	55 Å²	55	73.1 Å²	73.1	39%	0.385	36%	0.356	S	S	.	.	S	Bend	trans	-111.7	-89.2	-179	57.9	0	0	0	0	111.8	I540 T589	I540-S542 PolarHBondContact O-N 3.45Å; S542-T589 PolarHBondContact O-OG1 3.01Å
543	Y	70	Confident	81.4	Confident	90 Å²	90	72.9 Å²	72.9	35%	0.353	36%	0.358	S	S	.	.	S	Bend	trans	-122.9	144.2	-175.4	-63.9	-80.8	0	0	0	110	E585	Y543-E585 VanDerWaalsContact CD1-CD 3.5Å; Y543-E585 HydrophobicContact CD1-CG 4.45Å; Y543-E585 WeakPolarHBondContact CD1-OE1 3.44Å
544	P	77.3	Confident	81.3	Confident	7 Å²	7	71 Å²	71	5%	0.045	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-65.3	144.3	178.3	28.5	-34.5	0	0	0	110.8	D537 L538 Y546 V586	D537-P544 VanDerWaalsContact O-CA 3.26Å; D537-P544 WeakPolarHBondContact O-CA 3.24Å; D537-P544 WeakPolarHBondContact O-CB 3.37Å; L538-P544 HydrophobicContact CD2-CB 3.73Å; P544-Y546 HydrophobicContact CG-CE2 4.32Å; P544-Y546 WeakPolarHBondContact CG-OH 3.45Å; P544-Y546 WeakPolarHBondContact O-CE2 3.4Å; P544-V586 WeakPolarHBondContact CD-O 3.32Å; P544-V586 HydrophobicContact CG-CB 4.13Å; P544-V586 VanDerWaalsContact CG-O 3.29Å; P544-V586 WeakPolarHBondContact CG-O 3.35Å
545	E	85.4	Confident	81.1	Confident	78 Å²	78	67.6 Å²	67.6	36%	0.364	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-93.4	134.3	169.9	-76.4	-172.7	-156.8	0	0	109.3	R533 A536 D537 I540	R533-E545 IonicContact CZ-OE2 3.64Å; R533-E545 IonicContact NE-OE2 2.7Å; R533-E545 PolarHBondContact NE-OE2 3.38Å; R533-E545 IonicContact NH2-OE1 3Å; R533-E545 IonicContact NH2-OE2 3.82Å; R533-E545 PolarHBondContact NH2-OE2 3.35Å; A536-E545 CarbonylContact C-O 3.59Å; A536-E545 VanDerWaalsContact CA-O 3.27Å; A536-E545 WeakPolarHBondContact CA-O 3.25Å; D537-E545 PolarHBondContact N-O 3.43Å; D537-E545 PolarHBondContact O-N 3.13Å; I540-E545 HydrophobicContact CD1-CB 3.97Å; I540-E545 HydrophobicContact CD1-CG 3.51Å; I540-E545 WeakPolarHBondContact CD1-OE1 3.11Å
546	Y	90.8	Very high	81	Confident	8 Å²	8	68.7 Å²	68.7	3%	0.031	35%	0.345	C	S	.	.	P	Polyproline II helix	trans	-101.4	148.3	-175.3	-53.3	-94.8	0	0	0	111	V484 V488 A490 P544 R548 H569 E585 V586	V484-Y546 HydrophobicContact CG1-CD1 3.97Å; V484-Y546 HydrophobicContact CG1-CE1 4.02Å; V488-Y546 HydrophobicContact CB-CD1 4.19Å; V488-Y546 HydrophobicContact CB-CE1 4.03Å; V488-Y546 HydrophobicContact CG1-CD1 3.66Å; V488-Y546 HydrophobicContact CG1-CE1 3.49Å; V488-Y546 VanDerWaalsContact CG1-CE1 3.49Å; A490-Y546 HydrophobicContact CB-CG 4.44Å; P544-Y546 HydrophobicContact CG-CE2 4.32Å; P544-Y546 WeakPolarHBondContact CG-OH 3.45Å; P544-Y546 WeakPolarHBondContact O-CE2 3.4Å; Y546-R548 PolarHBondContact O-N 2.84Å; Y546-R548 PolarHBondContact O-NH1 3.2Å; Y546-H569 HydrophobicContact CD1-CB 4.34Å; Y546-H569 HydrophobicContact CD2-CB 3.87Å; Y546-H569 AromaticContact CD2-ND1 3.93Å; Y546-H569 HydrophobicContact CE1-CB 4.31Å; Y546-H569 HydrophobicContact CE2-CB 3.85Å; Y546-H569 AromaticContact CE2-CG 3.76Å; Y546-H569 AromaticContact CE2-ND1 3.45Å; Y546-H569 WeakPolarHBondContact CE2-ND1 3.48Å; Y546-H569 HydrophobicContact CG-CB 4.13Å; Y546-E585 VanDerWaalsContact OH-CA 3.24Å; Y546-E585 WeakPolarHBondContact OH-CA 3.45Å; Y546-E585 WeakPolarHBondContact OH-CG 3.45Å; Y546-V586 HydrophobicContact CE1-CG2 4.19Å; Y546-V586 PolarHBondContact OH-N 2.84Å
547	K	92.5	Very high	80.8	Confident	46 Å²	46	73.3 Å²	73.3	20%	0.2	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-47	129.5	169.6	177.4	174.2	-176	164	0	112.6	D485 D534 R549	D485-K547 HydrophobicContact CB-CD 4.44Å; D485-K547 VanDerWaalsContact OD1-CB 3.25Å; D485-K547 WeakPolarHBondContact OD1-CB 3.46Å; D534-K547 WeakPolarHBondContact O-CD 3.03Å; D534-K547 WeakPolarHBondContact O-CE 3.11Å; D534-K547 WeakPolarHBondContact O-CG 3.5Å; D534-K547 PolarHBondContact O-NZ 3.38Å; K547-R549 HydrophobicContact CG-CG 4.37Å
548	R	94.3	Very high	80.6	Confident	11 Å²	11	76.9 Å²	76.9	4%	0.042	38%	0.377	C	S	.	.	B	Isolated β-bridge	trans	-146.3	91.7	177.3	-81	170	177.2	71.9	1.4	107.8	A490 G531 F532 R533 Y546 N564 V567	A490-R548 HydrophobicContact CB-CG 4.4Å; A490-R548 VanDerWaalsContact CB-NH1 3.27Å; A490-R548 VanDerWaalsContact CB-NH2 3.27Å; A490-R548 VanDerWaalsContact O-CG 3.3Å; A490-R548 WeakPolarHBondContact O-CG 3.05Å; G531-R548 WeakPolarHBondContact O-CD 3.3Å; F532-R548 CarbonylContact C-O 3.41Å; F532-R548 VanDerWaalsContact CA-O 3.25Å; F532-R548 WeakPolarHBondContact CA-O 3.32Å; F532-R548 WeakPolarHBondContact CB-O 3.25Å; F532-R548 HydrophobicContact CD1-CB 4.44Å; F532-R548 WeakPolarHBondContact CD1-O 3.47Å; R533-R548 PolarHBondContact N-O 2.93Å; R533-R548 CarbonylContact O-C 3.53Å; R533-R548 PolarHBondContact O-N 2.88Å; R533-R548 VanDerWaalsContact O-O 3.08Å; Y546-R548 PolarHBondContact O-N 2.84Å; Y546-R548 PolarHBondContact O-NH1 3.2Å; R548-N564 HydrophobicContact CB-CB 4.39Å; R548-N564 PolarHBondContact NE-O 2.71Å; R548-V567 PolarHBondContact NH2-O 2.84Å
549	R	92.7	Very high	80.8	Confident	104 Å²	104	81.8 Å²	81.8	39%	0.392	40%	0.403	S	S	.	.			trans	-70.3	147.5	-179.5	-70.7	179.5	-78.4	174	-1.8	111.3	E491 K547 D551 N564	E491-R549 IonicContact OE1-CZ 3.61Å; E491-R549 IonicContact OE1-NE 2.71Å; E491-R549 PolarHBondContact OE1-NE 3.23Å; E491-R549 IonicContact OE1-NH2 3.83Å; E491-R549 PolarHBondContact OE1-NH2 3.47Å; E491-R549 IonicContact OE2-CZ 3.87Å; E491-R549 IonicContact OE2-NE 2.76Å; E491-R549 PolarHBondContact OE2-NE 2.73Å; E491-R549 IonicContact OE2-NH2 3.05Å; K547-R549 HydrophobicContact CG-CG 4.37Å; R549-D551 VanDerWaalsContact C-N 3.32Å; R549-D551 HydrophobicContact CB-CB 4.27Å; R549-D551 PolarHBondContact O-N 2.93Å; R549-N564 PolarHBondContact O-ND2 3.25Å
550	D	92.2	Very high	81.7	Confident	112 Å²	112	74.4 Å²	74.4	60%	0.599	37%	0.37	S	S	*	.			trans	-91	72.2	165.7	-169.2	6.4	0	0	0	109.1	F532	F532-D550 HydrophobicContact CB-CB 4.5Å; F532-D550 HydrophobicContact CD1-CB 3.98Å; F532-D550 HydrophobicContact CD2-CB 3.95Å; F532-D550 HydrophobicContact CE1-CB 4.05Å; F532-D550 HydrophobicContact CE2-CB 4.04Å; F532-D550 HydrophobicContact CG-CB 3.92Å; F532-D550 HydrophobicContact CZ-CB 4.09Å
551	D	88.6	Confident	83.1	Confident	58 Å²	58	80 Å²	80	31%	0.31	39%	0.389	S	S	.	.	S	Bend	trans	-101.5	16.4	-175.5	63.3	-5.3	0	0	0	112.4	R549 N553 N564	R549-D551 VanDerWaalsContact C-N 3.32Å; R549-D551 HydrophobicContact CB-CB 4.27Å; R549-D551 PolarHBondContact O-N 2.93Å; D551-N553 PolarHBondContact O-N 3Å; D551-N553 WeakPolarHBondContact OD1-CB 3.46Å; D551-N553 PolarHBondContact OD1-N 2.98Å; D551-N553 PolarHBondContact OD2-ND2 3.35Å; D551-N564 PolarHBondContact OD1-ND2 3.14Å
552	S	82.6	Confident	84.8	Confident	86 Å²	86	71.1 Å²	71.1	60%	0.601	35%	0.347	S	S	*	.	S	Bend	trans	61.9	0.6	-172.1	-57.9	0	0	0	0	115.7	S554 R561	S552-S554 PolarHBondContact O-N 3.48Å; S552-S554 PolarHBondContact O-OG 3.09Å; S552-R561 PolarHBondContact O-NH2 2.78Å
553	N	85	Confident	86.4	Confident	62 Å²	62	69.6 Å²	69.6	33%	0.332	34%	0.335	S	S	.	.			trans	-64.4	126.9	174.7	-79.6	-36.2	0	0	0	109.8	F492 D551 D563	F492-N553 HydrophobicContact CB-CB 4.48Å; D551-N553 PolarHBondContact O-N 3Å; D551-N553 WeakPolarHBondContact OD1-CB 3.46Å; D551-N553 PolarHBondContact OD1-N 2.98Å; D551-N553 PolarHBondContact OD2-ND2 3.35Å; N553-D563 WeakPolarHBondContact O-CA 2.97Å
554	S	87.7	Confident	87.6	Confident	37 Å²	37	65.4 Å²	65.4	26%	0.259	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.5	161.8	-178.1	55	0	0	0	0	110.2	S552 R561 L562	S552-S554 PolarHBondContact O-N 3.48Å; S552-S554 PolarHBondContact O-OG 3.09Å; S554-R561 PolarHBondContact OG-NE 3.11Å; S554-R561 PolarHBondContact OG-NH2 2.8Å; S554-L562 CarbonylContact C-O 3.5Å; S554-L562 WeakPolarHBondContact CA-O 3.43Å; S554-L562 WeakPolarHBondContact CB-O 3.44Å
555	M	87.7	Confident	88.3	Confident	35 Å²	35	69 Å²	69	17%	0.172	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	160.9	169.1	64.2	167.9	-81.3	0	0	110.3	F492 S506 I510 L562	F492-M555 HydrophobicContact CE1-CG 4.12Å; F492-M555 HydrophobicContact CE1-SD 3.92Å; F492-M555 HydrophobicContact CE2-CG 4.37Å; F492-M555 HydrophobicContact CZ-CG 3.69Å; F492-M555 HydrophobicContact CZ-SD 4.01Å; S506-M555 VanDerWaalsContact CB-SD 3.56Å; I510-M555 HydrophobicContact CD1-CE 4.03Å; I510-M555 HydrophobicContact CD1-CG 4.09Å; I510-M555 HydrophobicContact CD1-SD 3.12Å; I510-M555 WeakPolarHBondContact CD1-SD 3.37Å; M555-L562 HydrophobicContact CG-CB 4.39Å; M555-L562 PolarHBondContact N-O 3.18Å; M555-L562 PolarHBondContact O-N 2.69Å
556	E	86.4	Confident	88.6	Confident	145 Å²	145	65.8 Å²	65.8	68%	0.678	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95.6	127.6	175.6	-163.8	171.9	-166.1	0	0	109.7
557	Y	82.2	Confident	88.6	Confident	105 Å²	105	65.4 Å²	65.4	41%	0.412	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	117.4	176.2	-178.1	-98.8	0	0	0	109.5	D559 V560 L562	Y557-D559 VanDerWaalsContact C-N 3.3Å; Y557-D559 PolarHBondContact O-N 3.33Å; Y557-V560 PolarHBondContact N-O 3.45Å; Y557-V560 WeakPolarHBondContact O-CB 3.26Å; Y557-V560 PolarHBondContact O-N 3.27Å; Y557-L562 HydrophobicContact CD1-CD1 4.13Å; Y557-L562 HydrophobicContact CG-CD1 4.08Å
558	Q	79.7	Confident	88.5	Confident	114 Å²	114	63.6 Å²	63.6	53%	0.533	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	47.7	-177.3	-60.3	-178.1	-10.9	0	0	112.4	V560	Q558-V560 PolarHBondContact O-N 3.46Å; Q558-V560 VanDerWaalsContact O-N 3.12Å
559	D	81.5	Confident	88.3	Confident	150 Å²	150	64.6 Å²	64.6	80%	0.802	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.3	14.5	-178.9	-45.9	-44.1	0	0	0	114.6	Y557	Y557-D559 VanDerWaalsContact C-N 3.3Å; Y557-D559 PolarHBondContact O-N 3.33Å
560	V	84.9	Confident	88.3	Confident	27 Å²	27	59.6 Å²	59.6	16%	0.164	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	129.1	174.1	-174.5	0	0	0	0	109.5	L513 F517 Y557 Q558 L562	L513-V560 HydrophobicContact CD1-CG2 3.97Å; L513-V560 HydrophobicContact CD2-CB 4.22Å; L513-V560 HydrophobicContact CD2-CG1 4.08Å; L513-V560 HydrophobicContact CD2-CG2 4.34Å; F517-V560 HydrophobicContact CD1-CG2 4.16Å; F517-V560 HydrophobicContact CE1-CG1 4.12Å; F517-V560 HydrophobicContact CE1-CG2 3.79Å; F517-V560 HydrophobicContact CE2-CG1 4.34Å; F517-V560 HydrophobicContact CZ-CG1 3.81Å; F517-V560 HydrophobicContact CZ-CG2 4.34Å; Y557-V560 PolarHBondContact N-O 3.45Å; Y557-V560 WeakPolarHBondContact O-CB 3.26Å; Y557-V560 PolarHBondContact O-N 3.27Å; Q558-V560 PolarHBondContact O-N 3.46Å; Q558-V560 VanDerWaalsContact O-N 3.12Å; V560-L562 HydrophobicContact CB-CD2 4.3Å; V560-L562 HydrophobicContact CG1-CD2 3.79Å; V560-L562 PolarHBondContact O-N 3.21Å
561	R	88.9	Confident	88.2	Confident	164 Å²	164	54.7 Å²	54.7	62%	0.619	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.9	112.6	172.4	-174.1	-180	178.6	-155.5	-4.9	109.7	S552 S554	S552-R561 PolarHBondContact O-NH2 2.78Å; S554-R561 PolarHBondContact OG-NE 3.11Å; S554-R561 PolarHBondContact OG-NH2 2.8Å
562	L	90.9	Very high	88.2	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	118.5	177.2	-53.4	-172.8	0	0	0	109.8	I510 L513 S554 M555 Y557 V560 W566	I510-L562 HydrophobicContact CG2-CD1 3.68Å; L513-L562 HydrophobicContact CD2-CD2 3.74Å; S554-L562 CarbonylContact C-O 3.5Å; S554-L562 WeakPolarHBondContact CA-O 3.43Å; S554-L562 WeakPolarHBondContact CB-O 3.44Å; M555-L562 HydrophobicContact CG-CB 4.39Å; M555-L562 PolarHBondContact N-O 3.18Å; M555-L562 PolarHBondContact O-N 2.69Å; Y557-L562 HydrophobicContact CD1-CD1 4.13Å; Y557-L562 HydrophobicContact CG-CD1 4.08Å; V560-L562 HydrophobicContact CB-CD2 4.3Å; V560-L562 HydrophobicContact CG1-CD2 3.79Å; V560-L562 PolarHBondContact O-N 3.21Å; L562-W566 HydrophobicContact CB-CB 4.13Å; L562-W566 HydrophobicContact CB-CG 4.07Å; L562-W566 HydrophobicContact CD2-CD2 3.77Å; L562-W566 HydrophobicContact CD2-CE3 4.4Å; L562-W566 HydrophobicContact CD2-CG 3.82Å; L562-W566 HydrophobicContact CD2-CZ2 4.4Å; L562-W566 HydrophobicContact CG-CG 4.39Å
563	D	93.2	Very high	88.3	Confident	23 Å²	23	50.9 Å²	50.9	12%	0.123	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	-173.2	172.3	58.4	34.8	0	0	0	111.7	F532 N553 R565 W566	F532-D563 HydrophobicContact CZ-CB 4.47Å; N553-D563 WeakPolarHBondContact O-CA 2.97Å; D563-R565 PolarHBondContact O-N 3.03Å; D563-R565 WeakPolarHBondContact OD1-CB 3.34Å; D563-R565 VanDerWaalsContact OD1-CG 3.28Å; D563-R565 WeakPolarHBondContact OD1-CG 3.17Å; D563-R565 IonicContact OD1-CZ 2.87Å; D563-R565 PolarHBondContact OD1-N 3.45Å; D563-R565 IonicContact OD1-NE 2.76Å; D563-R565 PolarHBondContact OD1-NE 2.85Å; D563-R565 IonicContact OD1-NH2 3.59Å; D563-R565 IonicContact OD2-CZ 2.75Å; D563-R565 VanDerWaalsContact OD2-CZ 3.22Å; D563-R565 IonicContact OD2-NE 3.53Å; D563-R565 PolarHBondContact OD2-NE 2.97Å; D563-R565 IonicContact OD2-NH2 3.03Å; D563-R565 PolarHBondContact OD2-NH2 2.69Å; D563-W566 PolarHBondContact O-N 3.49Å
564	N	94.7	Very high	88.2	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-54.5	-19.9	-179.3	-67.8	-30.7	0	0	0	114.1	E491 F492 F532 R548 R549 D551 W566 V567	E491-N564 WeakPolarHBondContact CA-OD1 3.2Å; E491-N564 HydrophobicContact CB-CB 4.09Å; F492-N564 VanDerWaalsContact CD2-OD1 3.28Å; F492-N564 WeakPolarHBondContact CD2-OD1 2.88Å; F492-N564 PolarHBondContact N-OD1 3.05Å; F532-N564 HydrophobicContact CE1-CB 4.49Å; R548-N564 HydrophobicContact CB-CB 4.39Å; R548-N564 PolarHBondContact NE-O 2.71Å; R549-N564 PolarHBondContact O-ND2 3.25Å; D551-N564 PolarHBondContact OD1-ND2 3.14Å; N564-W566 PolarHBondContact O-N 2.76Å; N564-V567 PolarHBondContact O-N 3.33Å
565	R	91.9	Very high	88.1	Confident	84 Å²	84	47.9 Å²	47.9	32%	0.317	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-66.8	-17.2	177.1	-58.5	178.4	-71.7	179.4	-5.5	113.7	F528 P529 K530 F532 D563	F528-R565 WeakPolarHBondContact CD1-O 3.43Å; P529-R565 HydrophobicContact CB-CB 3.6Å; K530-R565 PolarHBondContact N-O 3.41Å; K530-R565 WeakPolarHBondContact O-CB 3.4Å; K530-R565 VanDerWaalsContact O-CD 3.23Å; K530-R565 WeakPolarHBondContact O-CD 3.41Å; K530-R565 WeakPolarHBondContact O-CG 2.92Å; F532-R565 HydrophobicContact CD1-CG 3.67Å; F532-R565 HydrophobicContact CD2-CG 4.29Å; F532-R565 HydrophobicContact CE1-CG 3.44Å; F532-R565 VanDerWaalsContact CE1-CG 3.44Å; F532-R565 HydrophobicContact CE2-CG 4.09Å; F532-R565 HydrophobicContact CG-CG 4.1Å; F532-R565 HydrophobicContact CZ-CG 3.66Å; D563-R565 PolarHBondContact O-N 3.03Å; D563-R565 WeakPolarHBondContact OD1-CB 3.34Å; D563-R565 VanDerWaalsContact OD1-CG 3.28Å; D563-R565 WeakPolarHBondContact OD1-CG 3.17Å; D563-R565 IonicContact OD1-CZ 2.87Å; D563-R565 PolarHBondContact OD1-N 3.45Å; D563-R565 IonicContact OD1-NE 2.76Å; D563-R565 PolarHBondContact OD1-NE 2.85Å; D563-R565 IonicContact OD1-NH2 3.59Å; D563-R565 IonicContact OD2-CZ 2.75Å; D563-R565 VanDerWaalsContact OD2-CZ 3.22Å; D563-R565 IonicContact OD2-NE 3.53Å; D563-R565 PolarHBondContact OD2-NE 2.97Å; D563-R565 IonicContact OD2-NH2 3.03Å; D563-R565 PolarHBondContact OD2-NH2 2.69Å
566	W	91.1	Very high	87.9	Confident	10 Å²	10	50.1 Å²	50.1	4%	0.038	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-96.8	-11	179.5	-66.2	91	0	0	0	114	I510 H511 L513 F517 F528 P529 L562 D563 N564	I510-W566 HydrophobicContact CG2-CB 4.13Å; H511-W566 WeakPolarHBondContact CB-O 3.46Å; H511-W566 PolarHBondContact N-O 2.74Å; L513-W566 HydrophobicContact CD2-CH2 4.12Å; L513-W566 HydrophobicContact CD2-CZ3 4.22Å; F517-W566 HydrophobicContact CD2-CH2 4.06Å; F517-W566 HydrophobicContact CD2-CZ2 4.35Å; F517-W566 HydrophobicContact CE2-CH2 4.29Å; F517-W566 HydrophobicContact CE2-CZ2 4.11Å; F528-W566 HydrophobicContact CB-CE3 4.39Å; F528-W566 HydrophobicContact CB-CZ3 4.38Å; P529-W566 HydrophobicContact CB-CD2 4.28Å; P529-W566 HydrophobicContact CB-CZ2 4.09Å; P529-W566 HydrophobicContact CG-CZ2 3.97Å; L562-W566 HydrophobicContact CB-CB 4.13Å; L562-W566 HydrophobicContact CB-CG 4.07Å; L562-W566 HydrophobicContact CD2-CD2 3.77Å; L562-W566 HydrophobicContact CD2-CE3 4.4Å; L562-W566 HydrophobicContact CD2-CG 3.82Å; L562-W566 HydrophobicContact CD2-CZ2 4.4Å; L562-W566 HydrophobicContact CG-CG 4.39Å; D563-W566 PolarHBondContact O-N 3.49Å; N564-W566 PolarHBondContact O-N 2.76Å
567	V	92.1	Very high	87.4	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	22%	0.221	C	C	.	.	B	Isolated β-bridge	trans	-78.4	129.4	-179.2	-178.7	0	0	0	0	109.3	A490 F492 V505 R548 N564 Y570	A490-V567 WeakPolarHBondContact O-CB 3.4Å; F492-V567 HydrophobicContact CD1-CG2 3.97Å; F492-V567 HydrophobicContact CD2-CG2 3.83Å; F492-V567 HydrophobicContact CE1-CG2 3.72Å; F492-V567 HydrophobicContact CE2-CG2 3.59Å; F492-V567 HydrophobicContact CG-CG2 4.01Å; F492-V567 HydrophobicContact CZ-CG2 3.52Å; V505-V567 HydrophobicContact CG1-CG1 4.08Å; R548-V567 PolarHBondContact NH2-O 2.84Å; N564-V567 PolarHBondContact O-N 3.33Å; V567-Y570 HydrophobicContact CG1-CD1 4.24Å; V567-Y570 HydrophobicContact CG1-CE1 3.9Å
568	V	90.5	Very high	87	Confident	8 Å²	8	42.9 Å²	42.9	5%	0.048	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-82	152	174.9	-172.1	0	0	0	0	108.9	V509 H511 F528 Y570 Y583	V509-V568 HydrophobicContact CG1-CB 4.42Å; V509-V568 WeakPolarHBondContact CG1-O 3.46Å; V509-V568 PolarHBondContact O-N 3.46Å; H511-V568 HydrophobicContact CB-CG2 3.82Å; F528-V568 HydrophobicContact CE1-CG2 4.32Å; F528-V568 HydrophobicContact CZ-CG2 3.91Å; V568-Y570 WeakPolarHBondContact O-CD1 3.22Å; V568-Y583 HydrophobicContact CB-CD1 3.84Å; V568-Y583 HydrophobicContact CB-CE1 3.41Å; V568-Y583 VanDerWaalsContact CB-CE1 3.41Å; V568-Y583 HydrophobicContact CG1-CD1 3.38Å; V568-Y583 HydrophobicContact CG1-CD2 4.15Å; V568-Y583 HydrophobicContact CG1-CE1 3.35Å; V568-Y583 HydrophobicContact CG1-CE2 4.07Å; V568-Y583 HydrophobicContact CG1-CG 3.77Å; V568-Y583 HydrophobicContact CG2-CE1 3.91Å
569	H	90.8	Very high	86.7	Confident	31 Å²	31	44.4 Å²	44.4	14%	0.144	21%	0.205	C	C	.	.	P	Polyproline II helix	trans	-64.2	135.7	-180	48.4	-108	0	0	0	111.8	V488 R489 A490 Y546 Y583 V584	V488-H569 HydrophobicContact CG1-CB 3.79Å; R489-H569 CarbonylContact O-C 3.51Å; R489-H569 WeakPolarHBondContact O-CA 3.13Å; A490-H569 HydrophobicContact CB-CB 4.25Å; Y546-H569 HydrophobicContact CD1-CB 4.34Å; Y546-H569 HydrophobicContact CD2-CB 3.87Å; Y546-H569 AromaticContact CD2-ND1 3.93Å; Y546-H569 HydrophobicContact CE1-CB 4.31Å; Y546-H569 HydrophobicContact CE2-CB 3.85Å; Y546-H569 AromaticContact CE2-CG 3.76Å; Y546-H569 AromaticContact CE2-ND1 3.45Å; Y546-H569 WeakPolarHBondContact CE2-ND1 3.48Å; Y546-H569 HydrophobicContact CG-CB 4.13Å; H569-Y583 WeakPolarHBondContact O-CA 3.32Å; H569-V584 VanDerWaalsContact CD2-C 3.41Å; H569-V584 PolarHBondContact CD2-O 2.86Å; H569-V584 PolarHBondContact O-N 3.08Å
570	Y	92.1	Very high	86.1	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	17%	0.168	C	C	.	.	B	Isolated β-bridge	trans	-147.2	156.9	-179.8	67.1	-81.1	0	0	0	111.7	V488 R489 E491 P493 L501 V505 V509 V567 V568 P572 T575	V488-Y570 CarbonylContact C-O 3.54Å; V488-Y570 WeakPolarHBondContact CA-O 3.48Å; R489-Y570 HydrophobicContact CB-CE1 3.99Å; R489-Y570 HydrophobicContact CB-CE2 4.25Å; R489-Y570 PolarHBondContact N-O 3.35Å; R489-Y570 WeakPolarHBondContact O-CD1 3.37Å; R489-Y570 PolarHBondContact O-N 3.31Å; E491-Y570 WeakPolarHBondContact O-CE1 3.45Å; E491-Y570 PolarHBondContact O-OH 3.24Å; P493-Y570 WeakPolarHBondContact CD-OH 3.29Å; P493-Y570 WeakPolarHBondContact CG-OH 3.2Å; L501-Y570 HydrophobicContact CD1-CE2 4.06Å; L501-Y570 HydrophobicContact CD2-CE2 4.24Å; L501-Y570 HydrophobicContact CG-CE2 4.39Å; V505-Y570 HydrophobicContact CG1-CE1 4.03Å; V505-Y570 HydrophobicContact CG2-CD1 4.37Å; V505-Y570 HydrophobicContact CG2-CD2 4.06Å; V505-Y570 HydrophobicContact CG2-CE1 3.92Å; V505-Y570 HydrophobicContact CG2-CE2 3.58Å; V505-Y570 HydrophobicContact CG2-CG 4.45Å; V509-Y570 HydrophobicContact CG1-CD1 3.63Å; V509-Y570 HydrophobicContact CG1-CG 3.88Å; V567-Y570 HydrophobicContact CG1-CD1 4.24Å; V567-Y570 HydrophobicContact CG1-CE1 3.9Å; V568-Y570 WeakPolarHBondContact O-CD1 3.22Å; Y570-P572 HydrophobicContact CD2-CG 4.41Å; Y570-P572 HydrophobicContact CE2-CB 4.47Å; Y570-P572 HydrophobicContact CE2-CG 3.97Å; Y570-T575 HydrophobicContact CD2-CG2 4.44Å
571	D	89	Confident	85.6	Confident	8 Å²	8	38.4 Å²	38.4	4%	0.043	17%	0.171	C	C	.	.			trans	-95.5	117.9	166.9	164.3	25.8	0	0	0	108.9	L487 C573 R574 T575 V584	L487-D571 WeakPolarHBondContact O-CA 3.4Å; D571-C573 PolarHBondContact O-N 2.9Å; D571-C573 WeakPolarHBondContact OD1-CB 3.43Å; D571-C573 PolarHBondContact OD1-N 3.31Å; D571-R574 HydrophobicContact CB-CB 4.28Å; D571-R574 PolarHBondContact O-N 2.88Å; D571-R574 VanDerWaalsContact OD2-CB 3.28Å; D571-R574 WeakPolarHBondContact OD2-CB 3.32Å; D571-R574 WeakPolarHBondContact OD2-CD 3.19Å; D571-R574 WeakPolarHBondContact OD2-CG 3.4Å; D571-R574 IonicContact OD2-CZ 2.68Å; D571-R574 PolarHBondContact OD2-N 2.89Å; D571-R574 VanDerWaalsContact OD2-N 3.08Å; D571-R574 IonicContact OD2-NE 2.75Å; D571-R574 IonicContact OD2-NH1 2.75Å; D571-R574 PolarHBondContact OD2-NH1 3.47Å; D571-T575 WeakPolarHBondContact O-CB 3.4Å; D571-T575 PolarHBondContact O-N 2.99Å; D571-T575 PolarHBondContact O-OG1 3.26Å; D571-V584 HydrophobicContact CB-CB 4.19Å; D571-V584 HydrophobicContact CB-CG2 3.71Å
572	P	89.2	Confident	85.3	Confident	14 Å²	14	30.7 Å²	30.7	9%	0.091	14%	0.142	C	C	.	.	H	α-helix	trans	-49.4	-42.9	177.3	-30	36.7	0	0	0	113	L487 R489 L501 Y570 T575 M576	L487-P572 WeakPolarHBondContact O-CD 3.37Å; R489-P572 HydrophobicContact CG-CG 3.95Å; L501-P572 HydrophobicContact CD1-CB 4.46Å; L501-P572 HydrophobicContact CD2-CB 3.76Å; L501-P572 HydrophobicContact CD2-CG 4.32Å; Y570-P572 HydrophobicContact CD2-CG 4.41Å; Y570-P572 HydrophobicContact CE2-CB 4.47Å; Y570-P572 HydrophobicContact CE2-CG 3.97Å; P572-T575 PolarHBondContact O-N 3.39Å; P572-M576 WeakPolarHBondContact O-CB 3.47Å; P572-M576 VanDerWaalsContact O-CG 3.28Å; P572-M576 WeakPolarHBondContact O-CG 3.4Å; P572-M576 PolarHBondContact O-N 2.88Å
573	C	86	Confident	85	Confident	51 Å²	51	32.8 Å²	32.8	35%	0.345	15%	0.15	S	C	.	.	H	α-helix	trans	-67	-55	-173.3	-169.9	0	0	0	0	110.6	C445 D571 T575 M576 M577	C445-C573 HydrophobicContact CB-CB 3.85Å; C445-C573 WeakPolarHBondContact CB-SG 3.36Å; C445-C573 WeakPolarHBondContact SG-CA 3.44Å; C445-C573 WeakPolarHBondContact SG-CB 3.28Å; C445-C573 PolarHBondContact SG-O 2.8Å; C445-C573 CovalentContact SG-SG 2Å; C445-C573 PolarHBondContact SG-SG 2.79Å; D571-C573 PolarHBondContact O-N 2.9Å; D571-C573 WeakPolarHBondContact OD1-CB 3.43Å; D571-C573 PolarHBondContact OD1-N 3.31Å; C573-T575 VanDerWaalsContact C-N 3.29Å; C573-T575 PolarHBondContact O-N 3.46Å; C573-M576 PolarHBondContact O-N 3.37Å; C573-M577 WeakPolarHBondContact O-CG 3.19Å; C573-M577 PolarHBondContact O-N 2.92Å
574	R	81.6	Confident	84.7	Confident	35 Å²	35	31.8 Å²	31.8	13%	0.132	15%	0.145	C	C	.	.	H	α-helix	trans	-61.5	-38.1	176.2	-76.2	166.7	-177.9	85.6	-8.6	112.3	C445 D571 M577 L578 I582	C445-R574 HydrophobicContact CB-CG 4.43Å; C445-R574 PolarHBondContact SG-N 3.26Å; C445-R574 VanDerWaalsContact SG-N 3.42Å; D571-R574 HydrophobicContact CB-CB 4.28Å; D571-R574 PolarHBondContact O-N 2.88Å; D571-R574 VanDerWaalsContact OD2-CB 3.28Å; D571-R574 WeakPolarHBondContact OD2-CB 3.32Å; D571-R574 WeakPolarHBondContact OD2-CD 3.19Å; D571-R574 WeakPolarHBondContact OD2-CG 3.4Å; D571-R574 IonicContact OD2-CZ 2.68Å; D571-R574 PolarHBondContact OD2-N 2.89Å; D571-R574 VanDerWaalsContact OD2-N 3.08Å; D571-R574 IonicContact OD2-NE 2.75Å; D571-R574 IonicContact OD2-NH1 2.75Å; D571-R574 PolarHBondContact OD2-NH1 3.47Å; R574-M577 PolarHBondContact O-N 3.08Å; R574-L578 WeakPolarHBondContact O-CB 3.06Å; R574-L578 PolarHBondContact O-N 3.42Å; R574-I582 HydrophobicContact CB-CD1 4.44Å
575	T	85.4	Confident	84.3	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.2	-43.6	178.1	-58.6	0	0	0	0	111	L501 I504 V509 Y570 D571 P572 C573 R579	L501-T575 HydrophobicContact CD1-CG2 3.9Å; I504-T575 HydrophobicContact CB-CG2 4.4Å; I504-T575 HydrophobicContact CG2-CG2 3.53Å; V509-T575 HydrophobicContact CG2-CG2 4.32Å; Y570-T575 HydrophobicContact CD2-CG2 4.44Å; D571-T575 WeakPolarHBondContact O-CB 3.4Å; D571-T575 PolarHBondContact O-N 2.99Å; D571-T575 PolarHBondContact O-OG1 3.26Å; P572-T575 PolarHBondContact O-N 3.39Å; C573-T575 VanDerWaalsContact C-N 3.29Å; C573-T575 PolarHBondContact O-N 3.46Å; T575-R579 WeakPolarHBondContact O-CA 3.31Å; T575-R579 PolarHBondContact O-N 3.37Å
576	M	83.3	Confident	84	Confident	83 Å²	83	29.7 Å²	29.7	41%	0.409	14%	0.139	S	C	.	.	H	α-helix	trans	-68.2	-42.3	175.9	-73.7	-177.1	69.6	0	0	113	L501 P572 C573 L578 R579	L501-M576 HydrophobicContact CB-CG 4.32Å; L501-M576 HydrophobicContact CB-SD 4.44Å; L501-M576 HydrophobicContact CD1-CG 3.86Å; P572-M576 WeakPolarHBondContact O-CB 3.47Å; P572-M576 VanDerWaalsContact O-CG 3.28Å; P572-M576 WeakPolarHBondContact O-CG 3.4Å; P572-M576 PolarHBondContact O-N 2.88Å; C573-M576 PolarHBondContact O-N 3.37Å; M576-L578 VanDerWaalsContact C-N 3.33Å; M576-L578 PolarHBondContact O-N 3.42Å; M576-R579 WeakPolarHBondContact O-CG 3.35Å
577	M	76.7	Confident	83.5	Confident	83 Å²	83	29.4 Å²	29.4	41%	0.409	14%	0.138	S	C	.	.	H	α-helix	trans	-62.5	-42.2	-179.5	-73.4	-170.9	92.3	0	0	112.1	I443 C445 C573 R574	I443-M577 HydrophobicContact CG2-CE 3.31Å; I443-M577 HydrophobicContact CG2-SD 3.68Å; C445-M577 HydrophobicContact CB-SD 4.15Å; C445-M577 PolarHBondContact SG-SD 3.44Å; C573-M577 WeakPolarHBondContact O-CG 3.19Å; C573-M577 PolarHBondContact O-N 2.92Å; R574-M577 PolarHBondContact O-N 3.08Å
578	L	73.8	Confident	82.5	Confident	14 Å²	14	30.6 Å²	30.6	7%	0.073	15%	0.148	C	C	.	.	H	α-helix	trans	-92.5	-28.9	-174.2	-73.3	166.6	0	0	0	111.6	F410 R440 I443 R574 M576 E580 I582	F410-L578 HydrophobicContact CD2-CD1 4.3Å; F410-L578 HydrophobicContact CE2-CD1 4.49Å; R440-L578 PolarHBondContact NH1-O 3.45Å; I443-L578 HydrophobicContact CD1-CD2 3.86Å; R574-L578 WeakPolarHBondContact O-CB 3.06Å; R574-L578 PolarHBondContact O-N 3.42Å; M576-L578 VanDerWaalsContact C-N 3.33Å; M576-L578 PolarHBondContact O-N 3.42Å; L578-E580 HydrophobicContact CB-CB 4.17Å; L578-E580 HydrophobicContact CB-CG 3.91Å; L578-E580 VanDerWaalsContact O-CG 3.26Å; L578-E580 WeakPolarHBondContact O-CG 3.28Å; L578-I582 HydrophobicContact CB-CD1 3.47Å; L578-I582 VanDerWaalsContact CB-CD1 3.47Å; L578-I582 HydrophobicContact CD1-CD1 3.22Å; L578-I582 HydrophobicContact CD1-CG1 4.46Å; L578-I582 HydrophobicContact CG-CD1 3.9Å
579	R	73.7	Confident	81.4	Confident	146 Å²	146	31.9 Å²	31.9	55%	0.551	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	66	34.6	-173.5	-57.4	-173.1	174	-173.3	-3.9	114.4	I504 N508 T575 M576	I504-R579 HydrophobicContact CD1-CB 4.18Å; I504-R579 HydrophobicContact CD1-CG 3.99Å; N508-R579 PolarHBondContact ND2-O 3.02Å; T575-R579 WeakPolarHBondContact O-CA 3.31Å; T575-R579 PolarHBondContact O-N 3.37Å; M576-R579 WeakPolarHBondContact O-CG 3.35Å
580	E	68.9	Low	80.3	Confident	4 Å²	4	32.7 Å²	32.7	2%	0.019	16%	0.161	C	C	.	.	S	Bend	trans	-126.8	174.2	-159.7	-66	-34.6	128.3	0	0	117.8	F410 N413 W416 L578 I582	F410-E580 HydrophobicContact CE2-CB 4.05Å; F410-E580 HydrophobicContact CE2-CG 3.82Å; F410-E580 HydrophobicContact CZ-CG 4.44Å; N413-E580 WeakPolarHBondContact CB-OE2 3.39Å; N413-E580 VanDerWaalsContact CG-OE2 3.32Å; N413-E580 PolarHBondContact ND2-OE2 2.68Å; W416-E580 VanDerWaalsContact CD1-OE1 3.27Å; W416-E580 HydrophobicContact CZ2-CG 3.89Å; W416-E580 PolarHBondContact NE1-OE1 3.04Å; W416-E580 PolarHBondContact NE1-OE2 3.29Å; L578-E580 HydrophobicContact CB-CB 4.17Å; L578-E580 HydrophobicContact CB-CG 3.91Å; L578-E580 VanDerWaalsContact O-CG 3.26Å; L578-E580 WeakPolarHBondContact O-CG 3.28Å; E580-I582 HydrophobicContact CB-CD1 4.12Å; E580-I582 HydrophobicContact CB-CG1 3.93Å; E580-I582 PolarHBondContact O-N 2.83Å; E580-I582 VanDerWaalsContact O-N 3.1Å
581	H	74.5	Confident	79.1	Confident	47 Å²	47	34.6 Å²	34.6	22%	0.218	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	88	160.6	-162.1	-135.9	0	0	0	111.7	T411 N508 Y583	T411-H581 PolarHBondContact N-O 3.47Å; T411-H581 VanDerWaalsContact N-O 3.16Å; T411-H581 PolarHBondContact OG1-ND1 2.93Å; N508-H581 PolarHBondContact O-CD2 2.84Å; N508-H581 PolarHBondContact O-NE2 2.82Å; H581-Y583 AromaticContact CD2-CE1 3.6Å; H581-Y583 AromaticContact CD2-CZ 3.68Å; H581-Y583 AromaticContact CE1-CE1 3.89Å; H581-Y583 AromaticContact CE1-CE2 3.43Å; H581-Y583 VanDerWaalsContact CE1-CE2 3.43Å; H581-Y583 WeakPolarHBondContact CE1-CE2 3.29Å; H581-Y583 AromaticContact CE1-CZ 3.17Å; H581-Y583 PolarHBondContact CE1-OH 2.83Å; H581-Y583 AromaticContact NE2-CE1 3.29Å; H581-Y583 VanDerWaalsContact NE2-CE1 3.29Å; H581-Y583 WeakPolarHBondContact NE2-CE1 3.44Å; H581-Y583 AromaticContact NE2-CE2 3.68Å; H581-Y583 AromaticContact NE2-CZ 2.89Å; H581-Y583 PolarHBondContact NE2-OH 3Å
582	I	81.7	Confident	78	Confident	2 Å²	2	34.5 Å²	34.5	1%	0.01	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	126.2	177.4	-62.3	173.9	0	0	0	108.1	V408 F410 R574 L578 E580 V584	V408-I582 HydrophobicContact CG1-CG2 3.94Å; F410-I582 HydrophobicContact CD2-CD1 4.11Å; F410-I582 HydrophobicContact CD2-CG1 3.83Å; R574-I582 HydrophobicContact CB-CD1 4.44Å; L578-I582 HydrophobicContact CB-CD1 3.47Å; L578-I582 VanDerWaalsContact CB-CD1 3.47Å; L578-I582 HydrophobicContact CD1-CD1 3.22Å; L578-I582 HydrophobicContact CD1-CG1 4.46Å; L578-I582 HydrophobicContact CG-CD1 3.9Å; E580-I582 HydrophobicContact CB-CD1 4.12Å; E580-I582 HydrophobicContact CB-CG1 3.93Å; E580-I582 PolarHBondContact O-N 2.83Å; E580-I582 VanDerWaalsContact O-N 3.1Å; I582-V584 HydrophobicContact CG2-CG2 3.9Å
583	Y	85.1	Confident	76.9	Confident	45 Å²	45	34 Å²	34	18%	0.176	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.6	170.1	-54.5	-36.2	0	0	0	108.6	V408 T409 V509 V568 H569 H581	V408-Y583 WeakPolarHBondContact CA-O 3.37Å; T409-Y583 PolarHBondContact N-O 3.26Å; T409-Y583 PolarHBondContact O-N 3.44Å; V509-Y583 HydrophobicContact CG1-CD1 4.42Å; V509-Y583 HydrophobicContact CG1-CE1 4.24Å; V568-Y583 HydrophobicContact CB-CD1 3.84Å; V568-Y583 HydrophobicContact CB-CE1 3.41Å; V568-Y583 VanDerWaalsContact CB-CE1 3.41Å; V568-Y583 HydrophobicContact CG1-CD1 3.38Å; V568-Y583 HydrophobicContact CG1-CD2 4.15Å; V568-Y583 HydrophobicContact CG1-CE1 3.35Å; V568-Y583 HydrophobicContact CG1-CE2 4.07Å; V568-Y583 HydrophobicContact CG1-CG 3.77Å; V568-Y583 HydrophobicContact CG2-CE1 3.91Å; H569-Y583 WeakPolarHBondContact O-CA 3.32Å; H581-Y583 AromaticContact CD2-CE1 3.6Å; H581-Y583 AromaticContact CD2-CZ 3.68Å; H581-Y583 AromaticContact CE1-CE1 3.89Å; H581-Y583 AromaticContact CE1-CE2 3.43Å; H581-Y583 VanDerWaalsContact CE1-CE2 3.43Å; H581-Y583 WeakPolarHBondContact CE1-CE2 3.29Å; H581-Y583 AromaticContact CE1-CZ 3.17Å; H581-Y583 PolarHBondContact CE1-OH 2.83Å; H581-Y583 AromaticContact NE2-CE1 3.29Å; H581-Y583 VanDerWaalsContact NE2-CE1 3.29Å; H581-Y583 WeakPolarHBondContact NE2-CE1 3.44Å; H581-Y583 AromaticContact NE2-CE2 3.68Å; H581-Y583 AromaticContact NE2-CZ 2.89Å; H581-Y583 PolarHBondContact NE2-OH 3Å
584	V	86.4	Confident	76.1	Confident	2 Å²	2	34.8 Å²	34.8	1%	0.012	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	114.3	175.8	-179.1	0	0	0	0	108.3	Y406 V408 V488 H569 D571 I582	Y406-V584 HydrophobicContact CD1-CG1 3.95Å; Y406-V584 HydrophobicContact CG-CG1 4.33Å; V408-V584 HydrophobicContact CG1-CG2 4.28Å; V408-V584 HydrophobicContact CG2-CG1 4.35Å; V408-V584 HydrophobicContact CG2-CG2 4.15Å; V488-V584 WeakPolarHBondContact CG1-O 3.25Å; V488-V584 HydrophobicContact CG2-CB 4.48Å; V488-V584 HydrophobicContact CG2-CG1 4Å; H569-V584 VanDerWaalsContact CD2-C 3.41Å; H569-V584 PolarHBondContact CD2-O 2.86Å; H569-V584 PolarHBondContact O-N 3.08Å; D571-V584 HydrophobicContact CB-CB 4.19Å; D571-V584 HydrophobicContact CB-CG2 3.71Å; I582-V584 HydrophobicContact CG2-CG2 3.9Å
585	E	86.2	Confident	75.4	Confident	34 Å²	34	36.9 Å²	36.9	16%	0.159	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	134.5	177.5	179.2	156.1	-130.8	0	0	110	Y406 F407 Y543 Y546	Y406-E585 CarbonylContact C-O 2.99Å; Y406-E585 VanDerWaalsContact CA-O 3.32Å; Y406-E585 WeakPolarHBondContact CA-O 3.47Å; F407-E585 HydrophobicContact CB-CB 4.35Å; F407-E585 PolarHBondContact N-O 2.88Å; F407-E585 PolarHBondContact O-N 2.79Å; Y543-E585 VanDerWaalsContact CD1-CD 3.5Å; Y543-E585 HydrophobicContact CD1-CG 4.45Å; Y543-E585 WeakPolarHBondContact CD1-OE1 3.44Å; Y546-E585 VanDerWaalsContact OH-CA 3.24Å; Y546-E585 WeakPolarHBondContact OH-CA 3.45Å; Y546-E585 WeakPolarHBondContact OH-CG 3.45Å
586	V	85.5	Confident	74.6	Confident	6 Å²	6	36.9 Å²	36.9	4%	0.036	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	126.6	172.4	178.8	0	0	0	0	109	D405 Y406 V484 V488 L538 P544 Y546 A588	D405-V586 WeakPolarHBondContact O-CA 3.24Å; Y406-V586 HydrophobicContact CD1-CG2 4.17Å; Y406-V586 HydrophobicContact CE1-CG2 4Å; V484-V586 HydrophobicContact CG1-CG2 3.95Å; V484-V586 HydrophobicContact CG2-CG1 4.35Å; V484-V586 HydrophobicContact CG2-CG2 4.18Å; V488-V586 HydrophobicContact CG2-CG2 3.96Å; L538-V586 HydrophobicContact CD2-CG1 4.39Å; P544-V586 WeakPolarHBondContact CD-O 3.32Å; P544-V586 HydrophobicContact CG-CB 4.13Å; P544-V586 VanDerWaalsContact CG-O 3.29Å; P544-V586 WeakPolarHBondContact CG-O 3.35Å; Y546-V586 HydrophobicContact CE1-CG2 4.19Å; Y546-V586 PolarHBondContact OH-N 2.84Å; V586-A588 PolarHBondContact O-N 2.8Å
587	C	81.6	Confident	73.9	Confident	4 Å²	4	33.9 Å²	33.9	3%	0.027	16%	0.16	C	C	.	.			trans	-81.4	83.5	178.5	-63.5	0	0	0	0	109.7	K403 P404 D405 F407 A592	K403-C587 PolarHBondContact NZ-O 2.86Å; P404-C587 HydrophobicContact CB-CB 4.41Å; P404-C587 WeakPolarHBondContact O-CB 3.5Å; D405-C587 PolarHBondContact O-N 2.82Å; F407-C587 PolarHBondContact N-SG 3.09Å; F407-C587 VanDerWaalsContact N-SG 3.36Å; C587-A592 HydrophobicContact CB-CB 3.92Å; C587-A592 WeakPolarHBondContact SG-CB 3.43Å
588	A	71.1	Confident	73.9	Confident	26 Å²	26	34.5 Å²	34.5	22%	0.215	16%	0.16	C	C	.	.			trans	-65.7	-44.7	174.5	0	0	0	0	0	110.9	K403 V586	K403-A588 PolarHBondContact NZ-O 2.83Å; V586-A588 PolarHBondContact O-N 2.8Å
589	T	66.5	Low	73.6	Confident	35 Å²	35	35.3 Å²	35.3	22%	0.215	16%	0.163	C	C	.	.	S	Bend	trans	-114.4	170.6	-175	69.6	0	0	0	0	112.4	S542 D591	S542-T589 PolarHBondContact O-OG1 3.01Å; T589-D591 PolarHBondContact O-N 2.79Å; T589-D591 WeakPolarHBondContact OG1-CB 3.41Å; T589-D591 PolarHBondContact OG1-N 3.38Å; T589-D591 PolarHBondContact OG1-OD2 2.81Å
590	I	68.2	Low	73.3	Confident	47 Å²	47	28.7 Å²	28.7	24%	0.241	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-5	173.6	60.9	164.7	0	0	0	113.2	A592 V593 K594 M670 L673	I590-A592 VanDerWaalsContact C-N 3.25Å; I590-A592 PolarHBondContact O-N 3.36Å; I590-V593 WeakPolarHBondContact O-CA 3.35Å; I590-V593 VanDerWaalsContact O-CB 3.26Å; I590-V593 WeakPolarHBondContact O-CB 3.49Å; I590-V593 PolarHBondContact O-N 3.04Å; I590-K594 PolarHBondContact O-N 3.33Å; I590-M670 HydrophobicContact CG2-CE 4.2Å; I590-L673 HydrophobicContact CD1-CD1 4.01Å
591	D	66.7	Low	73.1	Confident	40 Å²	40	32.2 Å²	32.2	21%	0.214	15%	0.152	C	C	.	.	H	α-helix	trans	-66.4	-28.2	-177.5	-67.6	-32.3	0	0	0	112.5	T589 V593 K594 Y595	T589-D591 PolarHBondContact O-N 2.79Å; T589-D591 WeakPolarHBondContact OG1-CB 3.41Å; T589-D591 PolarHBondContact OG1-N 3.38Å; T589-D591 PolarHBondContact OG1-OD2 2.81Å; D591-V593 VanDerWaalsContact C-N 3.25Å; D591-V593 PolarHBondContact O-N 3.47Å; D591-K594 CarbonylContact O-C 3.47Å; D591-K594 WeakPolarHBondContact O-CA 3.28Å; D591-K594 WeakPolarHBondContact O-CB 3.06Å; D591-K594 PolarHBondContact O-N 2.98Å; D591-K594 VanDerWaalsContact O-N 3.1Å; D591-K594 WeakPolarHBondContact OD1-CD 3.27Å; D591-K594 VanDerWaalsContact OD1-CE 3.32Å; D591-K594 WeakPolarHBondContact OD1-CE 3.44Å; D591-K594 IonicContact OD1-NZ 2.61Å; D591-K594 PolarHBondContact OD1-NZ 2.85Å; D591-Y595 PolarHBondContact O-N 3.34Å
592	A	65.6	Low	72.6	Confident	6 Å²	6	34.6 Å²	34.6	5%	0.05	16%	0.162	C	C	.	.	H	α-helix	trans	-61.9	-34.4	171	0	0	0	0	0	112.4	F407 L469 C587 I590 Y595 V596	F407-A592 HydrophobicContact CB-CB 4.43Å; L469-A592 HydrophobicContact CD2-CB 4.42Å; C587-A592 HydrophobicContact CB-CB 3.92Å; C587-A592 WeakPolarHBondContact SG-CB 3.43Å; I590-A592 VanDerWaalsContact C-N 3.25Å; I590-A592 PolarHBondContact O-N 3.36Å; A592-Y595 PolarHBondContact O-N 3.35Å; A592-V596 PolarHBondContact O-N 3.43Å; A592-V596 VanDerWaalsContact O-N 3.1Å
593	V	65.7	Low	71.7	Confident	4 Å²	4	36 Å²	36	2%	0.024	18%	0.176	C	C	.	.	H	α-helix	trans	-66.1	-45.2	172.7	-174.7	0	0	0	0	109.7	T398 P404 I590 D591 Y595 V596 L597	T398-V593 HydrophobicContact CG2-CG1 4.5Å; T398-V593 HydrophobicContact CG2-CG2 3.96Å; P404-V593 HydrophobicContact CG-CG2 3.59Å; I590-V593 WeakPolarHBondContact O-CA 3.35Å; I590-V593 VanDerWaalsContact O-CB 3.26Å; I590-V593 WeakPolarHBondContact O-CB 3.49Å; I590-V593 PolarHBondContact O-N 3.04Å; D591-V593 VanDerWaalsContact C-N 3.25Å; D591-V593 PolarHBondContact O-N 3.47Å; V593-Y595 VanDerWaalsContact C-N 3.26Å; V593-Y595 PolarHBondContact O-N 2.91Å; V593-V596 PolarHBondContact O-N 2.97Å; V593-L597 HydrophobicContact CG1-CD1 3.93Å; V593-L597 HydrophobicContact CG1-CG 4.29Å; V593-L597 WeakPolarHBondContact O-CB 3.49Å; V593-L597 VanDerWaalsContact O-CG 3.27Å; V593-L597 WeakPolarHBondContact O-CG 3.39Å; V593-L597 PolarHBondContact O-N 2.66Å
594	K	70.7	Confident	70.6	Confident	67 Å²	67	35 Å²	35	29%	0.291	18%	0.177	S	C	.	.	H	α-helix	trans	-57.7	-41.1	174.9	-63.5	-180	-174.3	158.2	0	111.3	I590 D591 L597 K598	I590-K594 PolarHBondContact O-N 3.33Å; D591-K594 CarbonylContact O-C 3.47Å; D591-K594 WeakPolarHBondContact O-CA 3.28Å; D591-K594 WeakPolarHBondContact O-CB 3.06Å; D591-K594 PolarHBondContact O-N 2.98Å; D591-K594 VanDerWaalsContact O-N 3.1Å; D591-K594 WeakPolarHBondContact OD1-CD 3.27Å; D591-K594 VanDerWaalsContact OD1-CE 3.32Å; D591-K594 WeakPolarHBondContact OD1-CE 3.44Å; D591-K594 IonicContact OD1-NZ 2.61Å; D591-K594 PolarHBondContact OD1-NZ 2.85Å; K594-L597 PolarHBondContact O-N 2.85Å; K594-K598 WeakPolarHBondContact O-CB 3.42Å; K594-K598 PolarHBondContact O-N 2.7Å
595	Y	66.6	Low	69.3	Low	79 Å²	79	36.1 Å²	36.1	31%	0.31	18%	0.183	S	C	.	.	H	α-helix	trans	-62.3	-47.4	179.6	-161.5	-108.1	0	0	0	111.1	F407 D591 A592 V593 K598 Y599	F407-Y595 HydrophobicContact CD1-CD1 4.38Å; F407-Y595 AromaticContact CE1-CD1 3.55Å; F407-Y595 HydrophobicContact CE1-CD1 3.55Å; F407-Y595 AromaticContact CE1-CE1 3.51Å; F407-Y595 HydrophobicContact CE1-CE1 3.51Å; F407-Y595 HydrophobicContact CE2-CD1 4.09Å; F407-Y595 AromaticContact CZ-CD1 3.38Å; F407-Y595 HydrophobicContact CZ-CD1 3.38Å; F407-Y595 AromaticContact CZ-CE1 3.51Å; F407-Y595 HydrophobicContact CZ-CE1 3.51Å; D591-Y595 PolarHBondContact O-N 3.34Å; A592-Y595 PolarHBondContact O-N 3.35Å; V593-Y595 VanDerWaalsContact C-N 3.26Å; V593-Y595 PolarHBondContact O-N 2.91Å; Y595-K598 VanDerWaalsContact O-CB 3.26Å; Y595-K598 WeakPolarHBondContact O-CB 3.32Å; Y595-K598 PolarHBondContact O-N 3.03Å; Y595-Y599 HydrophobicContact CD1-CD2 4Å; Y595-Y599 AromaticContact CD1-CE2 3.43Å; Y595-Y599 HydrophobicContact CD1-CE2 3.43Å; Y595-Y599 VanDerWaalsContact CD1-CE2 3.43Å; Y595-Y599 HydrophobicContact CD2-CE2 4.13Å; Y595-Y599 HydrophobicContact CE1-CD2 4.1Å; Y595-Y599 AromaticContact CE1-CE2 3.18Å; Y595-Y599 HydrophobicContact CE1-CE2 3.18Å; Y595-Y599 AromaticContact CE1-CZ 3.83Å; Y595-Y599 AromaticContact CE2-CE2 3.91Å; Y595-Y599 HydrophobicContact CE2-CE2 3.91Å; Y595-Y599 AromaticContact CG-CE2 3.92Å; Y595-Y599 HydrophobicContact CG-CE2 3.92Å; Y595-Y599 AromaticContact CZ-CE2 3.44Å; Y595-Y599 VanDerWaalsContact CZ-CE2 3.44Å; Y595-Y599 AromaticContact CZ-CZ 3.74Å; Y595-Y599 WeakPolarHBondContact O-CD2 3.5Å; Y595-Y599 PolarHBondContact O-N 3.35Å; Y595-Y599 VanDerWaalsContact O-N 3.13Å; Y595-Y599 PolarHBondContact OH-OH 3.1Å
596	V	67.2	Low	67.9	Low	1 Å²	1	40.4 Å²	40.4	1%	0.006	20%	0.198	C	C	.	.	H	α-helix	trans	-69.2	-38.1	176.8	174	0	0	0	0	112.7	F407 V453 V455 L469 A592 V593 K598 Y599 I600	F407-V596 HydrophobicContact CD2-CG2 3.65Å; F407-V596 HydrophobicContact CE2-CG2 3.33Å; F407-V596 HydrophobicContact CZ-CG2 4.4Å; V453-V596 HydrophobicContact CG1-CG1 4.4Å; V455-V596 HydrophobicContact CG2-CG1 4.34Å; L469-V596 HydrophobicContact CD1-CB 3.67Å; L469-V596 HydrophobicContact CD1-CG1 3.91Å; L469-V596 HydrophobicContact CD1-CG2 3.76Å; L469-V596 HydrophobicContact CD2-CG2 3.73Å; L469-V596 HydrophobicContact CG-CB 3.99Å; L469-V596 HydrophobicContact CG-CG1 4.25Å; L469-V596 HydrophobicContact CG-CG2 3.49Å; L469-V596 VanDerWaalsContact CG-CG2 3.49Å; A592-V596 PolarHBondContact O-N 3.43Å; A592-V596 VanDerWaalsContact O-N 3.1Å; V593-V596 PolarHBondContact O-N 2.97Å; V596-K598 PolarHBondContact O-N 3.36Å; V596-Y599 PolarHBondContact O-N 3.35Å; V596-I600 HydrophobicContact CG1-CD1 3.83Å; V596-I600 HydrophobicContact CG1-CG1 4.18Å; V596-I600 WeakPolarHBondContact O-CG1 3.38Å; V596-I600 PolarHBondContact O-N 3.33Å
597	L	69.8	Low	66.2	Low	20 Å²	20	40.6 Å²	40.6	11%	0.105	20%	0.201	C	C	.	.	H	α-helix	trans	-58.1	-40.2	171.9	-70.8	171.3	0	0	0	111	S391 A394 I395 V593 K594 Y599 I600 Y601	S391-L597 WeakPolarHBondContact O-CD2 3.18Å; A394-L597 HydrophobicContact CB-CD2 4.26Å; I395-L597 HydrophobicContact CD1-CD1 4.01Å; I395-L597 HydrophobicContact CD1-CD2 4.05Å; I395-L597 HydrophobicContact CG1-CD1 3.84Å; I395-L597 HydrophobicContact CG1-CD2 3.88Å; I395-L597 HydrophobicContact CG1-CG 4.48Å; V593-L597 HydrophobicContact CG1-CD1 3.93Å; V593-L597 HydrophobicContact CG1-CG 4.29Å; V593-L597 WeakPolarHBondContact O-CB 3.49Å; V593-L597 VanDerWaalsContact O-CG 3.27Å; V593-L597 WeakPolarHBondContact O-CG 3.39Å; V593-L597 PolarHBondContact O-N 2.66Å; K594-L597 PolarHBondContact O-N 2.85Å; L597-Y599 VanDerWaalsContact C-N 3.35Å; L597-Y599 PolarHBondContact O-N 3.01Å; L597-I600 PolarHBondContact O-N 3.1Å; L597-Y601 WeakPolarHBondContact O-CB 3.1Å; L597-Y601 PolarHBondContact O-N 2.89Å
598	K	75.7	Confident	64.6	Low	95 Å²	95	45.1 Å²	45.1	41%	0.413	23%	0.225	S	C	.	.	H	α-helix	trans	-55.9	-46.4	171.2	176.8	-175.9	-179.2	172.8	0	111	K594 Y595 V596 Y601 K602	K594-K598 WeakPolarHBondContact O-CB 3.42Å; K594-K598 PolarHBondContact O-N 2.7Å; Y595-K598 VanDerWaalsContact O-CB 3.26Å; Y595-K598 WeakPolarHBondContact O-CB 3.32Å; Y595-K598 PolarHBondContact O-N 3.03Å; V596-K598 PolarHBondContact O-N 3.36Å; K598-Y601 PolarHBondContact O-N 2.84Å; K598-K602 WeakPolarHBondContact O-CA 3.45Å; K598-K602 WeakPolarHBondContact O-CB 3.24Å; K598-K602 PolarHBondContact O-N 3.29Å
599	Y	68.8	Low	63.4	Low	32 Å²	32	46.1 Å²	46.1	13%	0.125	23%	0.228	C	C	.	.	H	α-helix	trans	-71.4	-31.6	177.9	-69.3	-76.9	0	0	0	114.3	E457 H467 Y595 V596 L597	E457-Y599 HydrophobicContact CB-CD1 4.3Å; E457-Y599 HydrophobicContact CG-CD1 4.09Å; E457-Y599 HydrophobicContact CG-CE1 4.3Å; E457-Y599 VanDerWaalsContact OE1-CE1 3.24Å; E457-Y599 WeakPolarHBondContact OE1-CE1 3.5Å; E457-Y599 WeakPolarHBondContact OE2-CE1 3.23Å; H467-Y599 AromaticContact CD2-CD1 3.57Å; H467-Y599 AromaticContact CD2-CD2 3.82Å; H467-Y599 AromaticContact CD2-CE1 3.94Å; H467-Y599 AromaticContact CD2-CG 3.5Å; H467-Y599 VanDerWaalsContact CD2-CG 3.5Å; H467-Y599 AromaticContact NE2-CD1 3.64Å; H467-Y599 AromaticContact NE2-CE1 3.51Å; H467-Y599 AromaticContact NE2-CG 3.95Å; H467-Y599 AromaticContact NE2-CZ 3.77Å; Y595-Y599 HydrophobicContact CD1-CD2 4Å; Y595-Y599 AromaticContact CD1-CE2 3.43Å; Y595-Y599 HydrophobicContact CD1-CE2 3.43Å; Y595-Y599 VanDerWaalsContact CD1-CE2 3.43Å; Y595-Y599 HydrophobicContact CD2-CE2 4.13Å; Y595-Y599 HydrophobicContact CE1-CD2 4.1Å; Y595-Y599 AromaticContact CE1-CE2 3.18Å; Y595-Y599 HydrophobicContact CE1-CE2 3.18Å; Y595-Y599 AromaticContact CE1-CZ 3.83Å; Y595-Y599 AromaticContact CE2-CE2 3.91Å; Y595-Y599 HydrophobicContact CE2-CE2 3.91Å; Y595-Y599 AromaticContact CG-CE2 3.92Å; Y595-Y599 HydrophobicContact CG-CE2 3.92Å; Y595-Y599 AromaticContact CZ-CE2 3.44Å; Y595-Y599 VanDerWaalsContact CZ-CE2 3.44Å; Y595-Y599 AromaticContact CZ-CZ 3.74Å; Y595-Y599 WeakPolarHBondContact O-CD2 3.5Å; Y595-Y599 PolarHBondContact O-N 3.35Å; Y595-Y599 VanDerWaalsContact O-N 3.13Å; Y595-Y599 PolarHBondContact OH-OH 3.1Å; V596-Y599 PolarHBondContact O-N 3.35Å; L597-Y599 VanDerWaalsContact C-N 3.35Å; L597-Y599 PolarHBondContact O-N 3.01Å
600	I	67.1	Low	62	Low	6 Å²	6	48.2 Å²	48.2	3%	0.031	26%	0.257	C	S	.	.	H	α-helix	trans	-68	-38.6	173.7	-59.9	166.9	0	0	0	110.3	M387 D390 S391 A394 V453 V455 V596 L597	M387-I600 VanDerWaalsContact CE-O 3.3Å; M387-I600 WeakPolarHBondContact CE-O 3.32Å; D390-I600 HydrophobicContact CB-CG2 3.8Å; S391-I600 WeakPolarHBondContact OG-CG2 3.44Å; A394-I600 HydrophobicContact CB-CD1 3.72Å; V453-I600 HydrophobicContact CG1-CD1 4.17Å; V455-I600 HydrophobicContact CG2-CD1 4.12Å; V455-I600 HydrophobicContact CG2-CG1 3.48Å; V455-I600 VanDerWaalsContact CG2-CG1 3.48Å; V596-I600 HydrophobicContact CG1-CD1 3.83Å; V596-I600 HydrophobicContact CG1-CG1 4.18Å; V596-I600 WeakPolarHBondContact O-CG1 3.38Å; V596-I600 PolarHBondContact O-N 3.33Å; L597-I600 PolarHBondContact O-N 3.1Å
601	Y	64.2	Low	60.8	Low	78 Å²	78	49.2 Å²	49.2	31%	0.306	27%	0.267	S	S	.	.	H	α-helix	trans	-87.1	-28.9	-178.1	-105.6	-80.1	0	0	0	115.4	M387 V388 S391 L597 K598 G603 F674	M387-Y601 WeakPolarHBondContact CE-O 3.16Å; V388-Y601 HydrophobicContact CG2-CE1 3.88Å; V388-Y601 WeakPolarHBondContact CG2-OH 3.43Å; S391-Y601 WeakPolarHBondContact OG-CD2 3.46Å; S391-Y601 WeakPolarHBondContact OG-CE2 3.1Å; L597-Y601 WeakPolarHBondContact O-CB 3.1Å; L597-Y601 PolarHBondContact O-N 2.89Å; K598-Y601 PolarHBondContact O-N 2.84Å; Y601-G603 PolarHBondContact O-N 3.22Å; Y601-G603 VanDerWaalsContact O-N 3.14Å; Y601-F674 HydrophobicContact CE2-CE2 4.04Å; Y601-F674 HydrophobicContact CE2-CZ 4.01Å
602	K	64.7	Low	59.8	Low	98 Å²	98	55.3 Å²	55.3	43%	0.426	30%	0.298	S	S	.	.	H	α-helix	trans	-58.5	-29.2	-178.4	-179.5	-179.8	175.1	-167	0	111.4	E457 K598	E457-K602 IonicContact OE1-NZ 2.73Å; E457-K602 PolarHBondContact OE1-NZ 3.18Å; E457-K602 VanDerWaalsContact OE1-NZ 3.14Å; K598-K602 WeakPolarHBondContact O-CA 3.45Å; K598-K602 WeakPolarHBondContact O-CB 3.24Å; K598-K602 PolarHBondContact O-N 3.29Å
603	G	62.9	Low	58.7	Low	31 Å²	31	58.5 Å²	58.5	32%	0.32	31%	0.314	S	S	.	.			trans	69.2	-161.6	177.2	0	0	0	0	0	112.3	M387 Y601	M387-G603 VanDerWaalsContact CE-N 3.28Å; Y601-G603 PolarHBondContact O-N 3.22Å; Y601-G603 VanDerWaalsContact O-N 3.14Å
604	A	60.6	Low	57.7	Low	23 Å²	23	63.1 Å²	63.1	19%	0.19	34%	0.339	C	S	.	.	S	Bend	trans	-73	148.9	173.4	0	0	0	0	0	110.4	R606 R622	A604-R606 PolarHBondContact O-N 2.99Å; A604-R622 HydrophobicContact CB-CG 3.78Å
605	D	59.3	Low	56	Low	26 Å²	26	64.8 Å²	64.8	14%	0.139	35%	0.35	C	S	.	.			trans	-53.1	129	173.5	-72.8	-35.7	0	0	0	110.2	K460 Y623 Y625	K460-D605 WeakPolarHBondContact CG-OD2 3.27Å; D605-Y623 HydrophobicContact CB-CD2 4.01Å; D605-Y623 WeakPolarHBondContact O-CD2 3.46Å; D605-Y623 PolarHBondContact O-N 3.33Å; D605-Y625 PolarHBondContact OD2-OH 2.96Å
606	R	57.4	Low	54.9	Low	124 Å²	124	61.8 Å²	61.8	47%	0.468	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	149.8	174.5	-69.7	157.4	-175.8	-153.2	8.8	109.9	A604 D620 V621	A604-R606 PolarHBondContact O-N 2.99Å; R606-D620 WeakPolarHBondContact CD-OD1 3.37Å; R606-D620 WeakPolarHBondContact CG-OD1 3.41Å; R606-D620 IonicContact CZ-OD1 2.74Å; R606-D620 IonicContact CZ-OD2 3.81Å; R606-D620 IonicContact NE-OD1 3.7Å; R606-D620 IonicContact NE-OD2 2.95Å; R606-D620 IonicContact NH1-OD1 3.37Å; R606-D620 IonicContact NH1-OD2 3.97Å; R606-D620 PolarHBondContact NH1-OD2 2.9Å; R606-V621 CarbonylContact C-O 3.42Å; R606-V621 WeakPolarHBondContact CA-O 3Å; R606-V621 WeakPolarHBondContact CB-O 3.42Å
607	G	50.1	Low	53.4	Low	10 Å²	10	69.2 Å²	69.2	10%	0.103	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	144.7	172.2	0	0	0	0	0	109.1	V621 Y623	G607-V621 PolarHBondContact N-O 3.25Å; G607-V621 WeakPolarHBondContact O-CG2 3.25Å; G607-Y623 VanDerWaalsContact CA-CE2 3.44Å
608	D	48.2	Very low	51.6	Low	100 Å²	100	75.8 Å²	75.8	54%	0.535	40%	0.402	S	S	.	.			trans	-90.1	122.8	157.4	-171.2	-2	0	0	0	106.7	G610	D608-G610 PolarHBondContact O-N 2.8Å
609	V	45.1	Very low	49.7	Very low	47 Å²	47	75.4 Å²	75.4	29%	0.285	40%	0.404	S	S	.	.			trans	-89	92.3	174.5	-168.2	0	0	0	0	104.7	C611 S616 V621	V609-C611 PolarHBondContact O-N 3.38Å; V609-S616 WeakPolarHBondContact O-CB 3.33Å; V609-V621 HydrophobicContact CG2-CB 4.22Å; V609-V621 HydrophobicContact CG2-CG1 3.66Å; V609-V621 HydrophobicContact CG2-CG2 3.46Å; V609-V621 VanDerWaalsContact CG2-CG2 3.46Å
610	G	38.1	Very low	48.7	Very low	79 Å²	79	78.7 Å²	78.7	81%	0.814	42%	0.424	S	S	*	.			trans	-63	60	-177.5	0	0	0	0	0	114.4	D608	D608-G610 PolarHBondContact O-N 2.8Å
611	C	41.5	Very low	48.1	Very low	68 Å²	68	78.9 Å²	78.9	46%	0.459	43%	0.425	S	S	.	.			trans	-97.8	138	172.7	-145.9	0	0	0	0	107.3	V609 D613 S616	V609-C611 PolarHBondContact O-N 3.38Å; C611-D613 PolarHBondContact O-N 3.27Å; C611-D613 VanDerWaalsContact O-N 3.08Å; C611-S616 WeakPolarHBondContact O-CB 3.18Å; C611-S616 PolarHBondContact O-OG 3Å
612	I	46.9	Very low	48	Very low	168 Å²	168	78.7 Å²	78.7	86%	0.862	42%	0.424	S	S	*	.	S	Bend	trans	-68.5	-11.9	-164.5	-64.4	167.4	0	0	0	113.5
613	D	41.3	Very low	47.9	Very low	72 Å²	72	76.2 Å²	76.2	39%	0.385	41%	0.413	S	S	.	.	S	Bend	trans	-92.6	147.5	-171.1	118.8	58.7	0	0	0	113.3	C611 I615 S616	C611-D613 PolarHBondContact O-N 3.27Å; C611-D613 VanDerWaalsContact O-N 3.08Å; D613-I615 PolarHBondContact O-N 3.5Å; D613-I615 WeakPolarHBondContact OD1-CA 2.92Å; D613-I615 WeakPolarHBondContact OD1-CB 3.42Å; D613-I615 WeakPolarHBondContact OD1-CD1 3.4Å; D613-I615 WeakPolarHBondContact OD1-CG1 3.49Å; D613-I615 PolarHBondContact OD1-N 3.16Å; D613-S616 VanDerWaalsContact O-CB 3.3Å; D613-S616 WeakPolarHBondContact O-CB 3.25Å; D613-S616 PolarHBondContact O-N 3.14Å; D613-S616 PolarHBondContact O-OG 3.3Å
614	D	44.4	Very low	48.1	Very low	101 Å²	101	75.1 Å²	75.1	54%	0.54	40%	0.4	S	S	.	.	H	α-helix	trans	-54.2	-22.1	-179.3	-83.2	-29.6	0	0	0	114.8	S616 K617 H618	D614-S616 VanDerWaalsContact C-N 3.26Å; D614-S616 PolarHBondContact O-N 3.35Å; D614-K617 WeakPolarHBondContact O-CB 3.21Å; D614-K617 PolarHBondContact O-N 2.78Å; D614-K617 WeakPolarHBondContact OD1-CD 3.12Å; D614-K617 WeakPolarHBondContact OD1-CE 3.16Å; D614-K617 IonicContact OD1-NZ 2.73Å; D614-K617 PolarHBondContact OD1-NZ 2.73Å; D614-H618 PolarHBondContact O-ND1 3.39Å
615	I	36.4	Very low	48.8	Very low	103 Å²	103	74.6 Å²	74.6	53%	0.528	39%	0.393	S	S	.	.	H	α-helix	trans	-61	-35.7	171.5	-61.7	165.9	0	0	0	110.2	D613 K617 H618 L619	D613-I615 PolarHBondContact O-N 3.5Å; D613-I615 WeakPolarHBondContact OD1-CA 2.92Å; D613-I615 WeakPolarHBondContact OD1-CB 3.42Å; D613-I615 WeakPolarHBondContact OD1-CD1 3.4Å; D613-I615 WeakPolarHBondContact OD1-CG1 3.49Å; D613-I615 PolarHBondContact OD1-N 3.16Å; I615-K617 PolarHBondContact O-N 3.22Å; I615-H618 CarbonylContact O-C 3.54Å; I615-H618 PolarHBondContact O-N 3.15Å; I615-L619 HydrophobicContact CG2-CD1 3.75Å; I615-L619 HydrophobicContact CG2-CG 3.99Å; I615-L619 WeakPolarHBondContact O-CG 3.34Å; I615-L619 PolarHBondContact O-N 2.88Å
616	S	42.6	Very low	49.7	Very low	15 Å²	15	73.4 Å²	73.4	11%	0.105	39%	0.387	C	S	.	.	H	α-helix	trans	-62.6	-40.4	177.2	73.8	0	0	0	0	112.3	V609 C611 D613 D614 H618 L619	V609-S616 WeakPolarHBondContact O-CB 3.33Å; C611-S616 WeakPolarHBondContact O-CB 3.18Å; C611-S616 PolarHBondContact O-OG 3Å; D613-S616 VanDerWaalsContact O-CB 3.3Å; D613-S616 WeakPolarHBondContact O-CB 3.25Å; D613-S616 PolarHBondContact O-N 3.14Å; D613-S616 PolarHBondContact O-OG 3.3Å; D614-S616 VanDerWaalsContact C-N 3.26Å; D614-S616 PolarHBondContact O-N 3.35Å; S616-H618 PolarHBondContact O-N 3.38Å; S616-L619 PolarHBondContact O-N 2.86Å
617	K	36.3	Very low	50.8	Low	158 Å²	158	68.9 Å²	68.9	69%	0.687	37%	0.37	S	S	*	.	H	α-helix	trans	-57.4	-23.2	174.6	-63.3	177.6	-176.9	159.4	0	112.5	D614 I615	D614-K617 WeakPolarHBondContact O-CB 3.21Å; D614-K617 PolarHBondContact O-N 2.78Å; D614-K617 WeakPolarHBondContact OD1-CD 3.12Å; D614-K617 WeakPolarHBondContact OD1-CE 3.16Å; D614-K617 IonicContact OD1-NZ 2.73Å; D614-K617 PolarHBondContact OD1-NZ 2.73Å; I615-K617 PolarHBondContact O-N 3.22Å
618	H	32.5	Very low	52.2	Low	157 Å²	157	68.7 Å²	68.7	73%	0.727	37%	0.366	S	S	*	.	H	α-helix	trans	-104.5	-11.5	-179.1	-62.1	86.2	0	0	0	113.5	D614 I615 S616 D620	D614-H618 PolarHBondContact O-ND1 3.39Å; I615-H618 CarbonylContact O-C 3.54Å; I615-H618 PolarHBondContact O-N 3.15Å; S616-H618 PolarHBondContact O-N 3.38Å; H618-D620 PolarHBondContact O-N 2.66Å
619	L	34.5	Very low	53.8	Low	87 Å²	87	63.9 Å²	63.9	46%	0.455	34%	0.34	S	S	.	.			trans	-87.2	83	178.6	-76.4	174.3	0	0	0	110.6	I615 S616 V621	I615-L619 HydrophobicContact CG2-CD1 3.75Å; I615-L619 HydrophobicContact CG2-CG 3.99Å; I615-L619 WeakPolarHBondContact O-CG 3.34Å; I615-L619 PolarHBondContact O-N 2.88Å; S616-L619 PolarHBondContact O-N 2.86Å; L619-V621 HydrophobicContact CB-CG1 4.47Å; L619-V621 PolarHBondContact O-N 3.24Å; L619-V621 VanDerWaalsContact O-N 3.17Å
620	D	48.3	Very low	55.7	Low	102 Å²	102	61.9 Å²	61.9	55%	0.545	33%	0.328	S	S	.	.			trans	-72	102.7	170.2	-173.2	0.7	0	0	0	110.5	R606 H618	R606-D620 WeakPolarHBondContact CD-OD1 3.37Å; R606-D620 WeakPolarHBondContact CG-OD1 3.41Å; R606-D620 IonicContact CZ-OD1 2.74Å; R606-D620 IonicContact CZ-OD2 3.81Å; R606-D620 IonicContact NE-OD1 3.7Å; R606-D620 IonicContact NE-OD2 2.95Å; R606-D620 IonicContact NH1-OD1 3.37Å; R606-D620 IonicContact NH1-OD2 3.97Å; R606-D620 PolarHBondContact NH1-OD2 2.9Å; H618-D620 PolarHBondContact O-N 2.66Å
621	V	55.1	Low	57.8	Low	9 Å²	9	58.4 Å²	58.4	6%	0.055	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	134.9	-175.3	-56.5	0	0	0	0	112.3	H143 G144 R606 G607 V609 L619	H143-V621 HydrophobicContact CB-CG2 4.22Å; G144-V621 VanDerWaalsContact CA-CG1 3.44Å; R606-V621 CarbonylContact C-O 3.42Å; R606-V621 WeakPolarHBondContact CA-O 3Å; R606-V621 WeakPolarHBondContact CB-O 3.42Å; G607-V621 PolarHBondContact N-O 3.25Å; G607-V621 WeakPolarHBondContact O-CG2 3.25Å; V609-V621 HydrophobicContact CG2-CB 4.22Å; V609-V621 HydrophobicContact CG2-CG1 3.66Å; V609-V621 HydrophobicContact CG2-CG2 3.46Å; V609-V621 VanDerWaalsContact CG2-CG2 3.46Å; L619-V621 HydrophobicContact CB-CG1 4.47Å; L619-V621 PolarHBondContact O-N 3.24Å; L619-V621 VanDerWaalsContact O-N 3.17Å
622	R	60.7	Low	59.7	Low	75 Å²	75	56.6 Å²	56.6	28%	0.283	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	139	178.7	174.3	176.8	174.9	-174.7	4.4	112.1	A604 V624 E628	A604-R622 HydrophobicContact CB-CG 3.78Å; R622-V624 HydrophobicContact CG-CG2 4.39Å; R622-E628 IonicContact CZ-OE1 2.93Å; R622-E628 IonicContact NH2-OE1 3.48Å; R622-E628 PolarHBondContact NH2-OE1 3.03Å
623	Y	63.7	Low	61.6	Low	46 Å²	46	48.7 Å²	48.7	18%	0.18	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-83	137.2	164	-66.9	-75.9	0	0	0	111.3	R141 H143 D605 G607	R141-Y623 HydrophobicContact CB-CD1 4.26Å; H143-Y623 HydrophobicContact CB-CD1 4.1Å; H143-Y623 HydrophobicContact CB-CE1 3.86Å; D605-Y623 HydrophobicContact CB-CD2 4.01Å; D605-Y623 WeakPolarHBondContact O-CD2 3.46Å; D605-Y623 PolarHBondContact O-N 3.33Å; G607-Y623 VanDerWaalsContact CA-CE2 3.44Å
624	V	67	Low	63.7	Low	8 Å²	8	46.5 Å²	46.5	5%	0.048	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.2	168.6	-177.3	0	0	0	0	108.9	V336 V340 R622 A629	V336-V624 HydrophobicContact CG1-CB 4.06Å; V336-V624 HydrophobicContact CG1-CG1 4.09Å; V340-V624 HydrophobicContact CG2-CG2 4.43Å; R622-V624 HydrophobicContact CG-CG2 4.39Å; V624-A629 HydrophobicContact CG1-CB 4.01Å
625	Y	75	Confident	65.5	Low	11 Å²	11	43.7 Å²	43.7	4%	0.043	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	150.5	179.8	-55.3	-79.5	0	0	0	111.3	R141 W458 K460 D605 R627 E628 A629	R141-Y625 HydrophobicContact CG-CD1 3.92Å; R141-Y625 HydrophobicContact CG-CE1 4.05Å; W458-Y625 HydrophobicContact CB-CD2 3.95Å; W458-Y625 HydrophobicContact CB-CE2 4.21Å; K460-Y625 VanDerWaalsContact CA-OH 3.23Å; K460-Y625 WeakPolarHBondContact CA-OH 3.28Å; K460-Y625 WeakPolarHBondContact CG-OH 3.27Å; K460-Y625 PolarHBondContact N-OH 2.89Å; D605-Y625 PolarHBondContact OD2-OH 2.96Å; Y625-R627 VanDerWaalsContact C-N 3.25Å; Y625-R627 PolarHBondContact O-N 2.7Å; Y625-E628 PolarHBondContact O-N 2.76Å; Y625-A629 WeakPolarHBondContact O-CB 3.25Å; Y625-A629 PolarHBondContact O-N 2Å
626	A	78	Confident	67.6	Low	1 Å²	1	42.2 Å²	42.2	1%	0.008	21%	0.207	C	C	.	.	H	α-helix	trans	-55.7	-39.6	176.7	0	0	0	0	0	112.9	E332 V336 P433 A629 V630	E332-A626 HydrophobicContact CB-CB 3.75Å; E332-A626 HydrophobicContact CG-CB 3.73Å; V336-A626 HydrophobicContact CG2-CB 4.07Å; P433-A626 HydrophobicContact CB-CB 4.11Å; P433-A626 HydrophobicContact CG-CB 4.18Å; A626-A629 PolarHBondContact O-N 3.21Å; A626-V630 WeakPolarHBondContact O-CG2 3.44Å; A626-V630 PolarHBondContact O-N 2.71Å
627	R	80.1	Confident	69.3	Low	30 Å²	30	50.4 Å²	50.4	11%	0.113	24%	0.235	C	C	.	.	H	α-helix	trans	-67.5	-45.8	179	-63.1	170.8	-176.2	-166.4	-5.7	112.2	P433 V436 W458 L463 Y625 A629 V630 H631	P433-R627 HydrophobicContact CB-CG 3.9Å; V436-R627 HydrophobicContact CB-CG 4.38Å; V436-R627 HydrophobicContact CG1-CG 4.45Å; W458-R627 HydrophobicContact CZ3-CB 4.24Å; L463-R627 VanDerWaalsContact CG-NH1 3.33Å; Y625-R627 VanDerWaalsContact C-N 3.25Å; Y625-R627 PolarHBondContact O-N 2.7Å; R627-A629 VanDerWaalsContact C-N 3.3Å; R627-A629 PolarHBondContact O-N 3.45Å; R627-V630 PolarHBondContact O-N 3.17Å; R627-H631 PolarHBondContact O-N 3.04Å
628	E	80.3	Confident	71.3	Confident	5 Å²	5	43.8 Å²	43.8	2%	0.023	21%	0.208	C	C	.	.	H	α-helix	trans	-60.2	-43.9	172.6	-180	-175.2	-177.9	0	0	110.7	W458 R622 Y625 V630 H631 H632	W458-E628 HydrophobicContact CB-CB 4.49Å; W458-E628 HydrophobicContact CD2-CB 3.61Å; W458-E628 HydrophobicContact CD2-CG 3.89Å; W458-E628 HydrophobicContact CE3-CB 3.84Å; W458-E628 HydrophobicContact CG-CB 3.89Å; W458-E628 HydrophobicContact CG-CG 3.94Å; W458-E628 HydrophobicContact CZ2-CB 4.42Å; W458-E628 HydrophobicContact CZ2-CG 4.36Å; W458-E628 HydrophobicContact CZ3-CB 4.32Å; R622-E628 IonicContact CZ-OE1 2.93Å; R622-E628 IonicContact NH2-OE1 3.48Å; R622-E628 PolarHBondContact NH2-OE1 3.03Å; Y625-E628 PolarHBondContact O-N 2.76Å; E628-V630 PolarHBondContact O-N 2.91Å; E628-H631 VanDerWaalsContact O-CB 3.31Å; E628-H631 WeakPolarHBondContact O-CB 3.27Å; E628-H631 PolarHBondContact O-N 2.95Å; E628-H631 VanDerWaalsContact O-N 3.14Å; E628-H632 WeakPolarHBondContact CG-NE2 3Å; E628-H632 PolarHBondContact O-CD2 3.16Å; E628-H632 PolarHBondContact O-N 2.77Å; E628-H632 IonicContact OE1-CD2 3.04Å; E628-H632 IonicContact OE1-NE2 2.72Å; E628-H632 PolarHBondContact OE1-NE2 2.85Å
629	A	82.7	Confident	73.6	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-62.1	-43.6	-179	0	0	0	0	0	112	I335 V336 C339 V624 Y625 A626 R627 H632 I633	I335-A629 HydrophobicContact CG2-CB 3.6Å; V336-A629 HydrophobicContact CG2-CB 4.26Å; C339-A629 HydrophobicContact CB-CB 3.53Å; V624-A629 HydrophobicContact CG1-CB 4.01Å; Y625-A629 WeakPolarHBondContact O-CB 3.25Å; Y625-A629 PolarHBondContact O-N 2Å; A626-A629 PolarHBondContact O-N 3.21Å; R627-A629 VanDerWaalsContact C-N 3.3Å; R627-A629 PolarHBondContact O-N 3.45Å; A629-H632 PolarHBondContact O-N 3.25Å; A629-I633 VanDerWaalsContact O-CG1 3.27Å; A629-I633 WeakPolarHBondContact O-CG1 3.29Å; A629-I633 PolarHBondContact O-N 3.05Å
630	V	84.3	Confident	75.9	Confident	5 Å²	5	38.7 Å²	38.7	3%	0.03	18%	0.176	C	C	.	.	H	α-helix	trans	-60.3	-46	171.8	176.4	0	0	0	0	110.9	I335 P433 D434 A626 R627 E628 H632 I633 F634	I335-V630 HydrophobicContact CB-CG2 4.41Å; I335-V630 HydrophobicContact CD1-CG2 3.54Å; I335-V630 HydrophobicContact CG1-CG2 4.15Å; I335-V630 HydrophobicContact CG2-CB 4.34Å; I335-V630 HydrophobicContact CG2-CG2 3.44Å; I335-V630 VanDerWaalsContact CG2-CG2 3.44Å; P433-V630 HydrophobicContact CB-CG2 4.38Å; P433-V630 HydrophobicContact CG-CG2 4.33Å; D434-V630 HydrophobicContact CB-CG1 4.3Å; D434-V630 HydrophobicContact CB-CG2 4.47Å; A626-V630 WeakPolarHBondContact O-CG2 3.44Å; A626-V630 PolarHBondContact O-N 2.71Å; R627-V630 PolarHBondContact O-N 3.17Å; E628-V630 PolarHBondContact O-N 2.91Å; V630-H632 VanDerWaalsContact C-N 3.26Å; V630-H632 PolarHBondContact O-N 3.22Å; V630-I633 PolarHBondContact O-N 3.18Å; V630-F634 HydrophobicContact CG1-CD1 4.47Å; V630-F634 HydrophobicContact CG1-CD2 3.37Å; V630-F634 HydrophobicContact CG1-CE1 4.38Å; V630-F634 HydrophobicContact CG1-CE2 3.22Å; V630-F634 HydrophobicContact CG1-CG 4.03Å; V630-F634 HydrophobicContact CG1-CZ 3.78Å; V630-F634 PolarHBondContact O-N 2.89Å
631	H	82.1	Confident	77.6	Confident	6 Å²	6	37.1 Å²	37.1	3%	0.028	17%	0.165	C	C	.	.	H	α-helix	trans	-55.2	-43.1	-179.8	-162.6	88.3	0	0	0	112	Y456 W458 R627 E628 G635 F636 R637	Y456-H631 AromaticContact CE1-CE1 3.96Å; Y456-H631 AromaticContact CE2-CE1 3.62Å; Y456-H631 AromaticContact CE2-NE2 3.68Å; Y456-H631 AromaticContact CZ-CE1 3.42Å; Y456-H631 VanDerWaalsContact CZ-CE1 3.42Å; Y456-H631 AromaticContact CZ-NE2 3.96Å; Y456-H631 PolarHBondContact OH-CE1 3.35Å; W458-H631 HydrophobicContact CH2-CB 3.59Å; W458-H631 AromaticContact CH2-CG 3.61Å; W458-H631 AromaticContact CH2-ND1 3.77Å; W458-H631 HydrophobicContact CZ2-CB 3.82Å; W458-H631 AromaticContact CZ2-CD2 3.82Å; W458-H631 AromaticContact CZ2-CG 3.67Å; R627-H631 PolarHBondContact O-N 3.04Å; E628-H631 VanDerWaalsContact O-CB 3.31Å; E628-H631 WeakPolarHBondContact O-CB 3.27Å; E628-H631 PolarHBondContact O-N 2.95Å; E628-H631 VanDerWaalsContact O-N 3.14Å; H631-G635 PolarHBondContact O-N 3Å; H631-G635 VanDerWaalsContact O-N 3.15Å; H631-F636 PolarHBondContact CD2-O 3Å; H631-F636 WeakPolarHBondContact CE1-CB 3.37Å; H631-F636 AromaticContact CE1-CD2 3.91Å; H631-F636 AromaticContact ND1-CD2 3.6Å; H631-F636 WeakPolarHBondContact NE2-CB 3.15Å; H631-F636 PolarHBondContact NE2-O 2.61Å; H631-F636 PolarHBondContact O-N 2.68Å; H631-R637 PolarHBondContact NE2-O 3.35Å
632	H	81.9	Confident	79.1	Confident	30 Å²	30	38.9 Å²	38.9	14%	0.139	18%	0.177	C	C	.	.	H	α-helix	trans	-69.9	-38.9	175.3	-69.5	-60.9	0	0	0	113.2	E628 A629 V630 G635	E628-H632 WeakPolarHBondContact CG-NE2 3Å; E628-H632 PolarHBondContact O-CD2 3.16Å; E628-H632 PolarHBondContact O-N 2.77Å; E628-H632 IonicContact OE1-CD2 3.04Å; E628-H632 IonicContact OE1-NE2 2.72Å; E628-H632 PolarHBondContact OE1-NE2 2.85Å; A629-H632 PolarHBondContact O-N 3.25Å; V630-H632 VanDerWaalsContact C-N 3.26Å; V630-H632 PolarHBondContact O-N 3.22Å; H632-G635 PolarHBondContact O-N 3.3Å; H632-G635 VanDerWaalsContact O-N 3.07Å
633	I	86	Confident	80.4	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.01	17%	0.173	C	C	.	.	H	α-helix	trans	-63.7	-43	176.3	-70.4	165.3	0	0	0	110.4	K308 L315 I335 C339 A629 V630 G635	K308-I633 WeakPolarHBondContact CD-O 3.49Å; K308-I633 VanDerWaalsContact CG-O 3.31Å; K308-I633 WeakPolarHBondContact CG-O 3.43Å; L315-I633 HydrophobicContact CD1-CD1 4.11Å; L315-I633 HydrophobicContact CD1-CG2 4.09Å; I335-I633 HydrophobicContact CG2-CD1 3.96Å; C339-I633 HydrophobicContact CB-CD1 4.19Å; C339-I633 HydrophobicContact CB-CG1 4.27Å; A629-I633 VanDerWaalsContact O-CG1 3.27Å; A629-I633 WeakPolarHBondContact O-CG1 3.29Å; A629-I633 PolarHBondContact O-N 3.05Å; V630-I633 PolarHBondContact O-N 3.18Å; I633-G635 PolarHBondContact O-N 3.47Å
634	F	85.5	Confident	81.6	Confident	25 Å²	25	40.9 Å²	40.9	11%	0.11	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-10.7	173.7	-68.5	-18.5	0	0	0	113.7	Y312 L315 D434 V630 F636	Y312-F634 HydrophobicContact CD2-CB 4.41Å; Y312-F634 AromaticContact CD2-CD1 3.52Å; Y312-F634 HydrophobicContact CD2-CD1 3.52Å; Y312-F634 HydrophobicContact CD2-CE1 4.27Å; Y312-F634 HydrophobicContact CD2-CG 4.36Å; Y312-F634 HydrophobicContact CE2-CB 4.15Å; Y312-F634 AromaticContact CE2-CD1 3.56Å; Y312-F634 HydrophobicContact CE2-CD1 3.56Å; Y312-F634 HydrophobicContact CE2-CE1 4.3Å; Y312-F634 HydrophobicContact CE2-CG 4.13Å; Y312-F634 HydrophobicContact CG-CD1 4.2Å; L315-F634 HydrophobicContact CB-CE1 3.79Å; L315-F634 HydrophobicContact CB-CZ 4.03Å; D434-F634 HydrophobicContact CB-CE2 4.42Å; D434-F634 HydrophobicContact CB-CZ 4.35Å; V630-F634 HydrophobicContact CG1-CD1 4.47Å; V630-F634 HydrophobicContact CG1-CD2 3.37Å; V630-F634 HydrophobicContact CG1-CE1 4.38Å; V630-F634 HydrophobicContact CG1-CE2 3.22Å; V630-F634 HydrophobicContact CG1-CG 4.03Å; V630-F634 HydrophobicContact CG1-CZ 3.78Å; V630-F634 PolarHBondContact O-N 2.89Å; F634-F636 HydrophobicContact CB-CD1 4.34Å; F634-F636 HydrophobicContact CB-CD2 3.93Å; F634-F636 HydrophobicContact CB-CE1 4.19Å; F634-F636 HydrophobicContact CB-CE2 3.77Å; F634-F636 HydrophobicContact CB-CG 4.22Å; F634-F636 HydrophobicContact CB-CZ 3.9Å; F634-F636 HydrophobicContact CD2-CD2 4.45Å; F634-F636 AromaticContact CD2-CE2 3.72Å; F634-F636 HydrophobicContact CD2-CE2 3.72Å; F634-F636 HydrophobicContact CD2-CZ 4.1Å; F634-F636 HydrophobicContact CG-CE2 4.23Å; F634-F636 HydrophobicContact CG-CZ 4.39Å; F634-F636 PolarHBondContact O-N 2.75Å
635	G	82.7	Confident	82.4	Confident	42 Å²	42	42.8 Å²	42.8	43%	0.433	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.6	21.5	177.9	0	0	0	0	0	113.1	H631 H632 I633	H631-G635 PolarHBondContact O-N 3Å; H631-G635 VanDerWaalsContact O-N 3.15Å; H632-G635 PolarHBondContact O-N 3.3Å; H632-G635 VanDerWaalsContact O-N 3.07Å; I633-G635 PolarHBondContact O-N 3.47Å
636	F	81.3	Confident	82.8	Confident	72 Å²	72	47 Å²	47	32%	0.316	25%	0.246	S	C	.	.			trans	-69.4	140	175.1	-63	-30.8	0	0	0	110.2	Q438 H631 F634 T638	Q438-F636 HydrophobicContact CG-CE2 4.3Å; Q438-F636 HydrophobicContact CG-CZ 4.42Å; H631-F636 PolarHBondContact CD2-O 3Å; H631-F636 WeakPolarHBondContact CE1-CB 3.37Å; H631-F636 AromaticContact CE1-CD2 3.91Å; H631-F636 AromaticContact ND1-CD2 3.6Å; H631-F636 WeakPolarHBondContact NE2-CB 3.15Å; H631-F636 PolarHBondContact NE2-O 2.61Å; H631-F636 PolarHBondContact O-N 2.68Å; F634-F636 HydrophobicContact CB-CD1 4.34Å; F634-F636 HydrophobicContact CB-CD2 3.93Å; F634-F636 HydrophobicContact CB-CE1 4.19Å; F634-F636 HydrophobicContact CB-CE2 3.77Å; F634-F636 HydrophobicContact CB-CG 4.22Å; F634-F636 HydrophobicContact CB-CZ 3.9Å; F634-F636 HydrophobicContact CD2-CD2 4.45Å; F634-F636 AromaticContact CD2-CE2 3.72Å; F634-F636 HydrophobicContact CD2-CE2 3.72Å; F634-F636 HydrophobicContact CD2-CZ 4.1Å; F634-F636 HydrophobicContact CG-CE2 4.23Å; F634-F636 HydrophobicContact CG-CZ 4.39Å; F634-F636 PolarHBondContact O-N 2.75Å; F636-T638 PolarHBondContact O-N 2.75Å
637	R	78.1	Confident	82.6	Confident	188 Å²	188	51.9 Å²	51.9	71%	0.709	26%	0.264	S	S	*	.			trans	-71.5	128.6	178	-63.1	-173.5	178.9	-178.8	0.3	109.1	Y456 H631 R639 R640	Y456-R637 WeakPolarHBondContact CE2-O 3.26Å; H631-R637 PolarHBondContact NE2-O 3.35Å; R637-R639 VanDerWaalsContact C-N 3.27Å; R637-R639 WeakPolarHBondContact CB-O 3.41Å; R637-R640 HydrophobicContact CB-CG 4.2Å
638	T	77.7	Confident	82.2	Confident	18 Å²	18	59.4 Å²	59.4	11%	0.11	30%	0.298	C	S	.	.	S	Bend	trans	-81.6	-9.9	173.4	65.6	0	0	0	0	113.1	Y456 W458 F636	Y456-T638 VanDerWaalsContact CD2-O 3.31Å; Y456-T638 WeakPolarHBondContact CD2-O 3.32Å; Y456-T638 PolarHBondContact N-O 2.85Å; W458-T638 HydrophobicContact CZ2-CG2 4.32Å; F636-T638 PolarHBondContact O-N 2.75Å
639	R	80.6	Confident	81.1	Confident	52 Å²	52	67.1 Å²	67.1	20%	0.196	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	143.6	178.2	-74.5	148.3	-73.1	-169.5	-13.9	109.2	D390 F454 V455 R637	D390-R639 VanDerWaalsContact OD2-CD 3.24Å; D390-R639 WeakPolarHBondContact OD2-CD 3.36Å; D390-R639 IonicContact OD2-CZ 3.54Å; D390-R639 IonicContact OD2-NE 2.78Å; D390-R639 PolarHBondContact OD2-NE 2.77Å; D390-R639 IonicContact OD2-NH1 3.93Å; D390-R639 PolarHBondContact OD2-NH1 3.17Å; F454-R639 CarbonylContact O-C 3.58Å; F454-R639 VanDerWaalsContact O-CA 3.25Å; F454-R639 WeakPolarHBondContact O-CA 3.26Å; V455-R639 HydrophobicContact CB-CG 4.42Å; V455-R639 HydrophobicContact CG1-CG 4Å; V455-R639 HydrophobicContact CG2-CG 4.23Å; R637-R639 VanDerWaalsContact C-N 3.27Å; R637-R639 WeakPolarHBondContact CB-O 3.41Å
640	R	82	Confident	79.8	Confident	86 Å²	86	72.1 Å²	72.1	33%	0.325	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	153.7	174.4	-59.3	-175	79.3	168.8	4.9	109.4	Y452 F454 R637	Y452-R640 HydrophobicContact CE2-CB 4.13Å; F454-R640 HydrophobicContact CB-CB 4.3Å; F454-R640 HydrophobicContact CD1-CB 4.06Å; F454-R640 HydrophobicContact CD1-CG 4.15Å; F454-R640 PolarHBondContact N-O 3.36Å; F454-R640 PolarHBondContact O-N 2.81Å; R637-R640 HydrophobicContact CB-CG 4.2Å
641	K	85.8	Confident	77.9	Confident	69 Å²	69	78 Å²	78	30%	0.3	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	153.1	175.1	55.5	-178.9	-176.5	178.4	0	108.5	D393 I397 Y452 D643 I645	D393-K641 HydrophobicContact CB-CD 4.06Å; D393-K641 IonicContact OD1-NZ 3.35Å; D393-K641 IonicContact OD2-NZ 2.67Å; D393-K641 PolarHBondContact OD2-NZ 2.85Å; I397-K641 HydrophobicContact CD1-CB 3.73Å; I397-K641 HydrophobicContact CD1-CD 4.12Å; I397-K641 HydrophobicContact CD1-CG 4.41Å; Y452-K641 CarbonylContact O-C 3.54Å; Y452-K641 VanDerWaalsContact O-CA 3.25Å; Y452-K641 WeakPolarHBondContact O-CA 3.48Å; K641-D643 WeakPolarHBondContact CD-O 3.37Å; K641-D643 WeakPolarHBondContact CE-O 3.41Å; K641-D643 WeakPolarHBondContact CG-O 3.3Å; K641-I645 HydrophobicContact CD-CD1 4.42Å
642	S	86.5	Confident	75.9	Confident	45 Å²	45	85.8 Å²	85.8	32%	0.315	44%	0.437	S	S	.	.	S	Bend	trans	-63.7	-46.6	174.6	39.1	0	0	0	0	111.7	A451 Y452	A451-S642 VanDerWaalsContact CA-OG 3.28Å; A451-S642 WeakPolarHBondContact CA-OG 3.43Å; A451-S642 WeakPolarHBondContact CB-OG 3.36Å; Y452-S642 PolarHBondContact N-OG 2.82Å; Y452-S642 PolarHBondContact O-N 3.38Å; Y452-S642 PolarHBondContact O-OG 3.18Å
643	D	86.4	Confident	73.8	Confident	38 Å²	38	88.4 Å²	88.4	20%	0.203	47%	0.465	C	S	.	.	S	Bend	trans	-98.6	142.6	-166.4	-57.7	-97.1	0	0	0	112.8	I397 Y401 K641	I397-D643 HydrophobicContact CD1-CB 4.2Å; I397-D643 HydrophobicContact CG1-CB 4.1Å; Y401-D643 WeakPolarHBondContact CE2-OD1 3.34Å; Y401-D643 WeakPolarHBondContact CE2-OD2 3.36Å; Y401-D643 PolarHBondContact OH-OD1 3.49Å; K641-D643 WeakPolarHBondContact CD-O 3.37Å; K641-D643 WeakPolarHBondContact CE-O 3.41Å; K641-D643 WeakPolarHBondContact CG-O 3.3Å
644	S	88.8	Confident	71.5	Confident	126 Å²	126	93.9 Å²	93.9	88%	0.881	49%	0.493	S	S	*	.			trans	-85.6	121.5	166.2	-64	0	0	0	0	108.5
645	I	85.3	Confident	69.1	Low	47 Å²	47	97.9 Å²	97.9	24%	0.241	52%	0.521	C	S	.	.			trans	-108.2	117.1	-174.8	-60.4	173.5	0	0	0	108.4	D393 A396 I397 K641	D393-I645 VanDerWaalsContact CA-CD1 3.42Å; D393-I645 HydrophobicContact CB-CD1 3.48Å; D393-I645 VanDerWaalsContact CB-CD1 3.48Å; D393-I645 WeakPolarHBondContact O-CD1 3.45Å; A396-I645 HydrophobicContact CB-CD1 4.07Å; I397-I645 HydrophobicContact CD1-CD1 4Å; I397-I645 HydrophobicContact CG1-CD1 3.75Å; K641-I645 HydrophobicContact CD-CD1 4.42Å
646	C	82.2	Confident	66.8	Low	100 Å²	100	108.2 Å²	108.2	68%	0.676	55%	0.547	S	S	*	.			trans	-90.2	138.6	173.6	-167.5	0	0	0	0	109.5
647	R	74.6	Confident	64.6	Low	104 Å²	104	108.1 Å²	108.1	39%	0.392	57%	0.567	S	S	.	*			trans	-109.9	124.8	174.3	-70.3	171.4	172.4	66.6	7	107.6	R389 D393	R389-R647 PolarHBondContact O-NH2 3.29Å; D393-R647 IonicContact OD1-CZ 3.51Å; D393-R647 IonicContact OD1-NH1 3.7Å; D393-R647 PolarHBondContact OD1-NH1 3.05Å; D393-R647 IonicContact OD1-NH2 2.64Å; D393-R647 PolarHBondContact OD1-NH2 2.67Å; D393-R647 IonicContact OD2-NH1 2.68Å; D393-R647 IonicContact OD2-NH2 2.76Å
648	F	71.8	Confident	62.4	Low	187 Å²	187	108.8 Å²	108.8	82%	0.82	58%	0.575	S	S	*	*			trans	-83.5	128.5	168.8	-64.5	-74.3	0	0	0	108.4	V650	F648-V650 PolarHBondContact O-N 3.5Å
649	E	57.3	Low	60.3	Low	168 Å²	168	114.4 Å²	114.4	79%	0.785	60%	0.603	S	S	*	*			trans	-66.5	118.3	166.4	-69.3	-178.3	166.7	0	0	107.4	N651	E649-N651 PolarHBondContact O-N 3.33Å
650	V	54.7	Low	57.9	Low	104 Å²	104	115.6 Å²	115.6	63%	0.63	63%	0.632	S	S	*	*			trans	-73	90	169.2	-177.8	0	0	0	0	105.8	F648 D652 I654	F648-V650 PolarHBondContact O-N 3.5Å; V650-D652 PolarHBondContact O-N 3Å; V650-I654 HydrophobicContact CG1-CD1 3.99Å; V650-I654 HydrophobicContact CG1-CG1 4.46Å
651	N	45.5	Very low	55.5	Low	129 Å²	129	118.5 Å²	118.5	69%	0.69	65%	0.653	S	S	*	*			trans	-62.9	119.1	164.9	-72.8	-32.7	0	0	0	106.6	E649 A653	E649-N651 PolarHBondContact O-N 3.33Å; N651-A653 VanDerWaalsContact C-N 3.31Å; N651-A653 PolarHBondContact O-N 2.79Å
652	D	39.4	Very low	52.8	Low	169 Å²	169	124.4 Å²	124.4	90%	0.904	68%	0.679	S	S	*	*	S	Bend	trans	-53.6	87.1	-176.3	-79.9	-46.4	0	0	0	112.2	V650	V650-D652 PolarHBondContact O-N 3Å
653	A	37.9	Very low	50.1	Low	86 Å²	86	131.1 Å²	131.1	71%	0.711	70%	0.702	S	S	*	*			trans	-154.4	28.3	168.3	0	0	0	0	0	111.9	N651 P655	N651-A653 VanDerWaalsContact C-N 3.31Å; N651-A653 PolarHBondContact O-N 2.79Å; A653-P655 VanDerWaalsContact O-CD 3.31Å; A653-P655 WeakPolarHBondContact O-CD 3.49Å
654	I	36.8	Very low	47.5	Very low	117 Å²	117	133.9 Å²	133.9	60%	0.6	72%	0.721	S	S	*	*			trans	-91.2	108	167.4	-55.6	179.6	0	0	0	107.1	V650 R656	V650-I654 HydrophobicContact CG1-CD1 3.99Å; V650-I654 HydrophobicContact CG1-CG1 4.46Å; I654-R656 PolarHBondContact O-N 3.17Å; I654-R656 VanDerWaalsContact O-N 3.13Å
655	P	36.1	Very low	45	Very low	109 Å²	109	134.5 Å²	134.5	71%	0.708	71%	0.714	S	S	*	*			trans	-60.9	121.2	179.9	-17.3	30.6	0	0	0	108.9	A653 G657	A653-P655 VanDerWaalsContact O-CD 3.31Å; A653-P655 WeakPolarHBondContact O-CD 3.49Å; P655-G657 VanDerWaalsContact C-N 3.31Å; P655-G657 PolarHBondContact O-N 3.43Å
656	R	35.1	Very low	43.1	Very low	258 Å²	258	136.2 Å²	136.2	97%	0.974	73%	0.73	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.9	91.5	174.6	-71.4	-178.8	177.1	172.6	-0.5	109.2	I654	I654-R656 PolarHBondContact O-N 3.17Å; I654-R656 VanDerWaalsContact O-N 3.13Å
657	G	34.4	Very low	41.2	Very low	71 Å²	71	136.1 Å²	136.1	73%	0.732	72%	0.722	S	S	*	*	T	Hydrogen-bonded Turn	trans	178.4	-8.2	178.4	0	0	0	0	0	117.3	P655	P655-G657 VanDerWaalsContact C-N 3.31Å; P655-G657 PolarHBondContact O-N 3.43Å
658	K	31.6	Very low	39.5	Very low	202 Å²	202	136.9 Å²	136.9	88%	0.878	73%	0.729	S	S	*	*			trans	-134	24.6	-175.3	-78.5	-166.8	178.4	-178.7	0	117.3	G660	K658-G660 PolarHBondContact O-N 3.32Å
659	L	34	Very low	38.1	Very low	136 Å²	136	131.1 Å²	131.1	71%	0.712	71%	0.712	S	S	*	*			trans	-95.5	81.8	160.4	-100.8	91.4	0	0	0	110.3	L661	L659-L661 HydrophobicContact CD2-CD1 4.04Å; L659-L661 HydrophobicContact CD2-CG 4.21Å; L659-L661 PolarHBondContact O-N 2.93Å
660	G	29.2	Very low	37.4	Very low	77 Å²	77	124.7 Å²	124.7	79%	0.794	68%	0.682	S	S	*	*			trans	-74.1	81.1	161.1	0	0	0	0	0	109.3	K658 K662	K658-G660 PolarHBondContact O-N 3.32Å; G660-K662 PolarHBondContact O-N 3.34Å; G660-K662 VanDerWaalsContact O-N 3.14Å
661	L	31.3	Very low	36.9	Very low	146 Å²	146	125.3 Å²	125.3	76%	0.764	68%	0.681	S	S	*	*			trans	-71.4	103.5	171.4	-81.6	156.6	0	0	0	108.2	L659 K663	L659-L661 HydrophobicContact CD2-CD1 4.04Å; L659-L661 HydrophobicContact CD2-CG 4.21Å; L659-L661 PolarHBondContact O-N 2.93Å; L661-K663 PolarHBondContact O-N 3.24Å
662	K	30.8	Very low	36.5	Very low	194 Å²	194	122.6 Å²	122.6	84%	0.843	67%	0.666	S	S	*	*			trans	-62	122.9	172	-77.1	-175.9	174.7	-178.3	0	108.9	G660 T664	G660-K662 PolarHBondContact O-N 3.34Å; G660-K662 VanDerWaalsContact O-N 3.14Å; K662-T664 PolarHBondContact O-N 3.01Å; K662-T664 VanDerWaalsContact O-N 3.12Å
663	K	29.9	Very low	36.8	Very low	185 Å²	185	117.1 Å²	117.1	80%	0.804	64%	0.637	S	S	*	*			trans	-66.8	98	169.8	-82.3	179.2	171.2	-179.8	0	109.1	L661	L661-K663 PolarHBondContact O-N 3.24Å
664	T	31	Very low	37.1	Very low	97 Å²	97	115.9 Å²	115.9	60%	0.595	62%	0.615	S	S	*	*			trans	-141.4	122.4	162.8	49.2	0	0	0	0	110.2	K662	K662-T664 PolarHBondContact O-N 3.01Å; K662-T664 VanDerWaalsContact O-N 3.12Å
665	D	35.3	Very low	37.2	Very low	139 Å²	139	115.4 Å²	115.4	74%	0.743	61%	0.614	S	S	*	*	S	Bend	trans	51.4	117.3	150	-53.4	-29.2	0	0	0	121.3	L667	D665-L667 PolarHBondContact O-N 3.02Å
666	S	46.5	Very low	37.4	Very low	82 Å²	82	114.5 Å²	114.5	57%	0.573	60%	0.603	S	S	*	*	S	Bend	trans	56.5	-34.6	170	80.8	0	0	0	0	118.8	S669 M670	S666-S669 WeakPolarHBondContact O-CB 3.49Å; S666-S669 PolarHBondContact O-N 2.88Å; S666-M670 PolarHBondContact O-N 3.23Å
667	L	42.7	Very low	37.7	Very low	98 Å²	98	105.2 Å²	105.2	51%	0.513	57%	0.57	S	S	.	*	H	α-helix	trans	-71.9	-35.5	-175.3	-69.4	168.2	0	0	0	112.5	L399 D665 S669 M670 L671	L399-L667 HydrophobicContact CD2-CD2 3.65Å; D665-L667 PolarHBondContact O-N 3.02Å; L667-S669 VanDerWaalsContact C-N 3.28Å; L667-S669 PolarHBondContact O-N 3.25Å; L667-M670 HydrophobicContact CD2-CE 4.44Å; L667-M670 WeakPolarHBondContact O-CB 3.11Å; L667-M670 PolarHBondContact O-N 3.23Å; L667-L671 PolarHBondContact O-N 3.01Å
668	F	39	Very low	37.9	Very low	120 Å²	120	104.9 Å²	104.9	53%	0.526	56%	0.556	S	S	.	*	H	α-helix	trans	-65.2	-35.5	174.3	-165.1	-109.6	0	0	0	111.4	M670 L671 L672	F668-M670 VanDerWaalsContact C-N 3.29Å; F668-M670 PolarHBondContact O-N 3.46Å; F668-L671 PolarHBondContact O-N 3.38Å; F668-L672 HydrophobicContact CD1-CD1 3.5Å; F668-L672 VanDerWaalsContact CD1-CD1 3.5Å; F668-L672 HydrophobicContact CD1-CG 4.4Å; F668-L672 HydrophobicContact CE1-CD1 3.24Å; F668-L672 HydrophobicContact CE1-CG 4.07Å; F668-L672 HydrophobicContact CZ-CD1 4.07Å; F668-L672 HydrophobicContact CZ-CG 4.48Å; F668-L672 WeakPolarHBondContact O-CB 3.2Å; F668-L672 PolarHBondContact O-N 3.12Å
669	S	41.4	Very low	38.1	Very low	66 Å²	66	102.1 Å²	102.1	46%	0.462	55%	0.546	S	S	.	.	H	α-helix	trans	-63.1	-36.6	173.8	-54.2	0	0	0	0	111.3	S666 L667 L673	S666-S669 WeakPolarHBondContact O-CB 3.49Å; S666-S669 PolarHBondContact O-N 2.88Å; L667-S669 VanDerWaalsContact C-N 3.28Å; L667-S669 PolarHBondContact O-N 3.25Å; S669-L673 WeakPolarHBondContact O-CB 3.47Å; S669-L673 VanDerWaalsContact O-CD1 3.3Å; S669-L673 WeakPolarHBondContact O-CD1 3.4Å; S669-L673 WeakPolarHBondContact O-CG 3.09Å; S669-L673 PolarHBondContact O-N 2.76Å
670	M	43.6	Very low	38.2	Very low	34 Å²	34	101 Å²	101	17%	0.167	54%	0.537	C	S	.	.	H	α-helix	trans	-67.6	-39.1	178.1	-147.6	-169.2	-61.6	0	0	112.4	I590 S666 L667 F668 F674	I590-M670 HydrophobicContact CG2-CE 4.2Å; S666-M670 PolarHBondContact O-N 3.23Å; L667-M670 HydrophobicContact CD2-CE 4.44Å; L667-M670 WeakPolarHBondContact O-CB 3.11Å; L667-M670 PolarHBondContact O-N 3.23Å; F668-M670 VanDerWaalsContact C-N 3.29Å; F668-M670 PolarHBondContact O-N 3.46Å; M670-F674 PolarHBondContact O-N 2.83Å; M670-F674 VanDerWaalsContact O-N 3.14Å
671	L	42.8	Very low	38.6	Very low	117 Å²	117	100.4 Å²	100.4	61%	0.613	52%	0.515	S	S	*	.	H	α-helix	trans	-71.2	-42	176.6	-159.2	85.1	0	0	0	112	L667 F668 F674 L675	L667-L671 PolarHBondContact O-N 3.01Å; F668-L671 PolarHBondContact O-N 3.38Å; L671-F674 WeakPolarHBondContact O-CB 3.47Å; L671-F674 PolarHBondContact O-N 2.88Å; L671-F674 VanDerWaalsContact O-N 3.15Å; L671-L675 PolarHBondContact O-N 3.18Å; L671-L675 VanDerWaalsContact O-N 3.16Å
672	L	38.5	Very low	38.8	Very low	71 Å²	71	96.2 Å²	96.2	37%	0.372	50%	0.501	S	S	.	.	H	α-helix	trans	-64.6	-40.4	173.8	-98	164.6	0	0	0	111.9	F668 F674 L675 N676	F668-L672 HydrophobicContact CD1-CD1 3.5Å; F668-L672 VanDerWaalsContact CD1-CD1 3.5Å; F668-L672 HydrophobicContact CD1-CG 4.4Å; F668-L672 HydrophobicContact CE1-CD1 3.24Å; F668-L672 HydrophobicContact CE1-CG 4.07Å; F668-L672 HydrophobicContact CZ-CD1 4.07Å; F668-L672 HydrophobicContact CZ-CG 4.48Å; F668-L672 WeakPolarHBondContact O-CB 3.2Å; F668-L672 PolarHBondContact O-N 3.12Å; L672-F674 PolarHBondContact O-N 2.65Å; L672-L675 PolarHBondContact O-N 3.09Å; L672-N676 WeakPolarHBondContact O-CB 3.47Å; L672-N676 PolarHBondContact O-N 3.16Å
673	L	45.7	Very low	38.9	Very low	55 Å²	55	93 Å²	93	29%	0.288	49%	0.488	S	S	.	.	H	α-helix	trans	-55.2	-42.8	171.1	-82.2	161.4	0	0	0	109.3	I590 S669 L675 N676 F677	I590-L673 HydrophobicContact CD1-CD1 4.01Å; S669-L673 WeakPolarHBondContact O-CB 3.47Å; S669-L673 VanDerWaalsContact O-CD1 3.3Å; S669-L673 WeakPolarHBondContact O-CD1 3.4Å; S669-L673 WeakPolarHBondContact O-CG 3.09Å; S669-L673 PolarHBondContact O-N 2.76Å; L673-L675 PolarHBondContact O-N 3.05Å; L673-N676 PolarHBondContact O-N 3.09Å; L673-F677 WeakPolarHBondContact O-CA 3.33Å; L673-F677 WeakPolarHBondContact O-CB 3.28Å; L673-F677 PolarHBondContact O-N 3.44Å
674	F	44.1	Very low	39.1	Very low	60 Å²	60	89.5 Å²	89.5	26%	0.263	47%	0.474	S	S	.	.	H	α-helix	trans	-65.3	-42.2	178.2	-160.3	-91.8	0	0	0	113.9	I395 Y601 M670 L671 L672 F677 S678	I395-F674 HydrophobicContact CD1-CD2 3.82Å; I395-F674 HydrophobicContact CD1-CE2 3.86Å; Y601-F674 HydrophobicContact CE2-CE2 4.04Å; Y601-F674 HydrophobicContact CE2-CZ 4.01Å; M670-F674 PolarHBondContact O-N 2.83Å; M670-F674 VanDerWaalsContact O-N 3.14Å; L671-F674 WeakPolarHBondContact O-CB 3.47Å; L671-F674 PolarHBondContact O-N 2.88Å; L671-F674 VanDerWaalsContact O-N 3.15Å; L672-F674 PolarHBondContact O-N 2.65Å; F674-F677 PolarHBondContact O-N 3Å; F674-S678 WeakPolarHBondContact O-CB 3.4Å; F674-S678 PolarHBondContact O-N 3.49Å; F674-S678 PolarHBondContact O-OG 2.94Å
675	L	39.1	Very low	39.3	Very low	107 Å²	107	87.9 Å²	87.9	56%	0.56	47%	0.466	S	S	*	.	H	α-helix	trans	-64.3	-41.3	176.4	-71.1	174.5	0	0	0	111.4	L671 L672 L673 S678	L671-L675 PolarHBondContact O-N 3.18Å; L671-L675 VanDerWaalsContact O-N 3.16Å; L672-L675 PolarHBondContact O-N 3.09Å; L673-L675 PolarHBondContact O-N 3.05Å; L675-S678 PolarHBondContact O-OG 3Å
676	N	39.8	Very low	39.1	Very low	90 Å²	90	86.5 Å²	86.5	48%	0.481	46%	0.457	S	S	.	.	H	α-helix	trans	-73.7	-37.5	176.8	-74.4	-9.5	0	0	0	112	L672 L673 H679 E680	L672-N676 WeakPolarHBondContact O-CB 3.47Å; L672-N676 PolarHBondContact O-N 3.16Å; L673-N676 PolarHBondContact O-N 3.09Å; N676-H679 CarbonylContact O-C 3.51Å; N676-H679 WeakPolarHBondContact O-CB 3.38Å; N676-H679 PolarHBondContact O-N 3.38Å; N676-E680 VanDerWaalsContact O-CB 3.32Å; N676-E680 WeakPolarHBondContact O-CB 3.36Å; N676-E680 PolarHBondContact O-N 2.99Å
677	F	40.8	Very low	38.3	Very low	63 Å²	63	87.5 Å²	87.5	28%	0.276	45%	0.451	S	S	.	.	H	α-helix	trans	-76.7	-32.4	-173.3	-158.1	-109.7	0	0	0	112.9	L673 F674 H679 E680 I681	L673-F677 WeakPolarHBondContact O-CA 3.33Å; L673-F677 WeakPolarHBondContact O-CB 3.28Å; L673-F677 PolarHBondContact O-N 3.44Å; F674-F677 PolarHBondContact O-N 3Å; F677-H679 PolarHBondContact O-N 2.8Å; F677-E680 PolarHBondContact O-N 3.35Å; F677-I681 HydrophobicContact CD1-CD1 3.53Å; F677-I681 HydrophobicContact CD1-CG1 4.05Å; F677-I681 HydrophobicContact CE1-CD1 3.13Å; F677-I681 HydrophobicContact CE1-CG1 3.96Å; F677-I681 HydrophobicContact CE2-CD1 4.35Å; F677-I681 HydrophobicContact CE2-CG1 4.43Å; F677-I681 HydrophobicContact CG-CD1 4.3Å; F677-I681 HydrophobicContact CG-CG1 4.35Å; F677-I681 HydrophobicContact CZ-CD1 3.6Å; F677-I681 HydrophobicContact CZ-CG1 4.15Å; F677-I681 WeakPolarHBondContact O-CB 3.41Å; F677-I681 PolarHBondContact O-N 3.26Å
678	S	39.2	Very low	37.9	Very low	63 Å²	63	89.4 Å²	89.4	44%	0.441	46%	0.457	S	S	.	.	H	α-helix	trans	-65.5	-30.1	170	47.9	0	0	0	0	112	F674 L675	F674-S678 WeakPolarHBondContact O-CB 3.4Å; F674-S678 PolarHBondContact O-N 3.49Å; F674-S678 PolarHBondContact O-OG 2.94Å; L675-S678 PolarHBondContact O-OG 3Å
679	H	34.8	Very low	37.6	Very low	145 Å²	145	87.5 Å²	87.5	67%	0.671	45%	0.452	S	S	*	.	H	α-helix	trans	-81.7	-43.1	170.7	-88.8	-85.4	0	0	0	113.1	N676 F677 A682 F683	N676-H679 CarbonylContact O-C 3.51Å; N676-H679 WeakPolarHBondContact O-CB 3.38Å; N676-H679 PolarHBondContact O-N 3.38Å; F677-H679 PolarHBondContact O-N 2.8Å; H679-A682 PolarHBondContact O-N 2.94Å; H679-F683 WeakPolarHBondContact O-CB 3.47Å; H679-F683 PolarHBondContact O-N 3.46Å
680	E	36.9	Very low	37	Very low	111 Å²	111	89.9 Å²	89.9	52%	0.519	46%	0.459	S	S	.	.	H	α-helix	trans	-71.3	-39.3	-176.3	-90.2	179.3	163.4	0	0	112.3	N676 F677 A682 F683 E684	N676-E680 VanDerWaalsContact O-CB 3.32Å; N676-E680 WeakPolarHBondContact O-CB 3.36Å; N676-E680 PolarHBondContact O-N 2.99Å; F677-E680 PolarHBondContact O-N 3.35Å; E680-A682 VanDerWaalsContact C-N 3.3Å; E680-A682 PolarHBondContact O-N 3.23Å; E680-F683 CarbonylContact O-C 3.5Å; E680-F683 PolarHBondContact O-N 3.28Å; E680-F683 VanDerWaalsContact O-N 3.07Å; E680-E684 VanDerWaalsContact O-CB 3.29Å; E680-E684 WeakPolarHBondContact O-CB 3.21Å; E680-E684 PolarHBondContact O-N 3.01Å
681	I	37	Very low	36.4	Very low	66 Å²	66	93.9 Å²	93.9	34%	0.338	48%	0.478	S	S	.	.	H	α-helix	trans	-66.2	-38.8	173.8	-71.5	-175.3	0	0	0	110.3	F677 F683 S685	F677-I681 HydrophobicContact CD1-CD1 3.53Å; F677-I681 HydrophobicContact CD1-CG1 4.05Å; F677-I681 HydrophobicContact CE1-CD1 3.13Å; F677-I681 HydrophobicContact CE1-CG1 3.96Å; F677-I681 HydrophobicContact CE2-CD1 4.35Å; F677-I681 HydrophobicContact CE2-CG1 4.43Å; F677-I681 HydrophobicContact CG-CD1 4.3Å; F677-I681 HydrophobicContact CG-CG1 4.35Å; F677-I681 HydrophobicContact CZ-CD1 3.6Å; F677-I681 HydrophobicContact CZ-CG1 4.15Å; F677-I681 WeakPolarHBondContact O-CB 3.41Å; F677-I681 PolarHBondContact O-N 3.26Å; I681-F683 PolarHBondContact O-N 2.73Å; I681-S685 WeakPolarHBondContact O-CB 3.43Å; I681-S685 PolarHBondContact O-N 3.31Å; I681-S685 PolarHBondContact O-OG 2.91Å
682	A	35.4	Very low	35.9	Very low	57 Å²	57	96.4 Å²	96.4	47%	0.471	48%	0.484	S	S	.	.	H	α-helix	trans	-61.6	-31.3	173.7	0	0	0	0	0	111.3	H679 E680 M686	H679-A682 PolarHBondContact O-N 2.94Å; E680-A682 VanDerWaalsContact C-N 3.3Å; E680-A682 PolarHBondContact O-N 3.23Å; A682-M686 WeakPolarHBondContact O-CG 3.43Å
683	F	32.7	Very low	35.6	Very low	128 Å²	128	102.6 Å²	102.6	56%	0.561	50%	0.503	S	S	*	.	H	α-helix	trans	-85.6	-45.4	-179.6	-148.9	-88.4	0	0	0	114	H679 E680 I681 S685 M686 K687	H679-F683 WeakPolarHBondContact O-CB 3.47Å; H679-F683 PolarHBondContact O-N 3.46Å; E680-F683 CarbonylContact O-C 3.5Å; E680-F683 PolarHBondContact O-N 3.28Å; E680-F683 VanDerWaalsContact O-N 3.07Å; I681-F683 PolarHBondContact O-N 2.73Å; F683-S685 VanDerWaalsContact C-N 3.35Å; F683-M686 HydrophobicContact CD2-CE 4.08Å; F683-M686 HydrophobicContact CE2-CE 4.41Å; F683-M686 CarbonylContact O-C 3.59Å; F683-M686 WeakPolarHBondContact O-CA 3.36Å; F683-M686 WeakPolarHBondContact O-CB 3.35Å; F683-M686 PolarHBondContact O-N 3.16Å; F683-K687 PolarHBondContact O-N 2.72Å
684	E	35.2	Very low	35	Very low	111 Å²	111	108.7 Å²	108.7	52%	0.519	53%	0.53	S	S	.	.	H	α-helix	trans	-62.2	-39.6	174.2	-83.5	-99.5	135.6	0	0	111	E680 M686 K687 E688	E680-E684 VanDerWaalsContact O-CB 3.29Å; E680-E684 WeakPolarHBondContact O-CB 3.21Å; E680-E684 PolarHBondContact O-N 3.01Å; E684-M686 PolarHBondContact O-N 3.42Å; E684-K687 PolarHBondContact O-N 3.41Å; E684-E688 PolarHBondContact O-N 2.9Å
685	S	35.4	Very low	34.3	Very low	62 Å²	62	115.3 Å²	115.3	43%	0.434	57%	0.566	S	S	.	*	H	α-helix	trans	-62.3	-31.5	172.5	-52.3	0	0	0	0	111.6	I681 F683 L689	I681-S685 WeakPolarHBondContact O-CB 3.43Å; I681-S685 PolarHBondContact O-N 3.31Å; I681-S685 PolarHBondContact O-OG 2.91Å; F683-S685 VanDerWaalsContact C-N 3.35Å; S685-L689 WeakPolarHBondContact O-CD1 3.39Å; S685-L689 WeakPolarHBondContact O-CG 3.5Å; S685-L689 PolarHBondContact O-N 3.2Å
686	M	30.7	Very low	34.1	Very low	111 Å²	111	115.8 Å²	115.8	55%	0.547	57%	0.566	S	S	.	*	H	α-helix	trans	-78.7	-28.7	172.1	-72.4	-164	-57.8	0	0	113	A682 F683 E684 L689 N690	A682-M686 WeakPolarHBondContact O-CG 3.43Å; F683-M686 HydrophobicContact CD2-CE 4.08Å; F683-M686 HydrophobicContact CE2-CE 4.41Å; F683-M686 CarbonylContact O-C 3.59Å; F683-M686 WeakPolarHBondContact O-CA 3.36Å; F683-M686 WeakPolarHBondContact O-CB 3.35Å; F683-M686 PolarHBondContact O-N 3.16Å; E684-M686 PolarHBondContact O-N 3.42Å; M686-L689 WeakPolarHBondContact O-CB 3.46Å; M686-N690 PolarHBondContact O-N 2.73Å
687	K	30	Very low	33.8	Very low	102 Å²	102	117.1 Å²	117.1	44%	0.443	57%	0.571	S	S	.	*	H	α-helix	trans	-77.6	-43	179.7	-126.2	-172.5	179.6	-164.3	0	112.2	F683 E684 L689 N690 E691	F683-K687 PolarHBondContact O-N 2.72Å; E684-K687 PolarHBondContact O-N 3.41Å; K687-L689 PolarHBondContact O-N 2.76Å; K687-N690 CarbonylContact O-C 3.59Å; K687-N690 PolarHBondContact O-N 3.12Å; K687-E691 PolarHBondContact O-N 3.32Å
688	E	33.8	Very low	33.4	Very low	138 Å²	138	120.1 Å²	120.1	65%	0.645	59%	0.587	S	S	*	*	H	α-helix	trans	-59.1	-34.4	169.5	-75.4	-172.5	162.4	0	0	110.6	E684 F692	E684-E688 PolarHBondContact O-N 2.9Å; E688-F692 WeakPolarHBondContact O-CB 3.36Å; E688-F692 PolarHBondContact O-N 2.78Å
689	L	33	Very low	33	Very low	81 Å²	81	123.5 Å²	123.5	42%	0.424	60%	0.596	S	S	.	*	H	α-helix	trans	-63.4	-47.9	170.4	-86.9	163.7	0	0	0	111.1	S685 M686 K687 F692 W693	S685-L689 WeakPolarHBondContact O-CD1 3.39Å; S685-L689 WeakPolarHBondContact O-CG 3.5Å; S685-L689 PolarHBondContact O-N 3.2Å; M686-L689 WeakPolarHBondContact O-CB 3.46Å; K687-L689 PolarHBondContact O-N 2.76Å; L689-F692 PolarHBondContact O-N 3.06Å; L689-W693 PolarHBondContact O-N 2.68Å
690	N	28.6	Very low	32.9	Very low	115 Å²	115	122.1 Å²	122.1	62%	0.615	59%	0.591	S	S	*	*	H	α-helix	trans	-68.3	-40	179.9	-101.7	6.3	0	0	0	114.4	M686 K687 F692 W693 E694	M686-N690 PolarHBondContact O-N 2.73Å; K687-N690 CarbonylContact O-C 3.59Å; K687-N690 PolarHBondContact O-N 3.12Å; N690-F692 VanDerWaalsContact C-N 3.28Å; N690-F692 PolarHBondContact O-N 2.64Å; N690-W693 WeakPolarHBondContact O-CB 3.31Å; N690-W693 PolarHBondContact O-N 3.14Å; N690-E694 PolarHBondContact O-N 3.45Å
691	E	31.5	Very low	32.7	Very low	118 Å²	118	122.9 Å²	122.9	55%	0.551	60%	0.596	S	S	*	*	H	α-helix	trans	-69.3	-27.9	178.4	-75.2	-178.3	-174.5	0	0	111.8	K687 W693 E694	K687-E691 PolarHBondContact O-N 3.32Å; E691-W693 PolarHBondContact O-N 3.06Å; E691-E694 PolarHBondContact O-N 3.13Å
692	F	31.4	Very low	32.4	Very low	171 Å²	171	126.9 Å²	126.9	75%	0.75	61%	0.614	S	S	*	*	H	α-helix	trans	-71.6	-13.4	170.2	-154	-90.4	0	0	0	113.1	E688 L689 N690	E688-F692 WeakPolarHBondContact O-CB 3.36Å; E688-F692 PolarHBondContact O-N 2.78Å; L689-F692 PolarHBondContact O-N 3.06Å; N690-F692 VanDerWaalsContact C-N 3.28Å; N690-F692 PolarHBondContact O-N 2.64Å
693	W	31.8	Very low	32.1	Very low	201 Å²	201	132.3 Å²	132.3	76%	0.761	63%	0.625	S	S	*	*	H	α-helix	trans	-94.9	-17.6	174.3	-79.2	108	0	0	0	113.8	L689 N690 E691	L689-W693 PolarHBondContact O-N 2.68Å; N690-W693 WeakPolarHBondContact O-CB 3.31Å; N690-W693 PolarHBondContact O-N 3.14Å; E691-W693 PolarHBondContact O-N 3.06Å
694	E	33	Very low	32.1	Very low	182 Å²	182	132.7 Å²	132.7	85%	0.85	63%	0.63	S	S	*	*	H	α-helix	trans	-86.6	-13.2	174.1	-78.4	-167.2	163.8	0	0	113.7	N690 E691	N690-E694 PolarHBondContact O-N 3.45Å; E691-E694 PolarHBondContact O-N 3.13Å
695	I	30.6	Very low	31.8	Very low	200 Å²	200	134.6 Å²	134.6	100%	1.026	64%	0.641	S	S	*	*			trans	-99.5	0	170	-57	176.3	0	0	0	109.1

Retrieved 695 of 695 residues in 1219.2 ms (Link to these results)

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