A0A087X2H0_HUMAN Loading...

BRCA1-associated RING domain protein 1

E3 ubiquitin-protein ligase. The BRCA1-BARD1 heterodimer specifically mediates the formation of 'Lys-6'-linked polyubiquitin chains and coordinates a diverse range of cellular pathways such as DNA damage repair, ubiquitination and transcriptional regulation to maintain genomic stability. Plays a central role in the control of the cell cycle in response to DNA damage. Acts by mediating ubiquitin E3 ligase activity that is required for its tumor suppressor function. Also forms a heterodimer with CSTF1/CSTF-50 to modulate mRNA processing and RNAP II stability by inhibiting pre-mRNA 3' cleavage.

AlphaFold DB , UniProt , Accession A0A087X2H0, Species HUMAN (Homo sapiens, Human), Gene BARD1, Length 641 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	39.7	Very low	36.2	Very low	213 Å²	213	172 Å²	172	100%	1.049	82%	0.818	S	S	*	*				0	139.5	0	-74.6	-55.1	-167.2	0	0	108.7	D3	M1-D3 HydrophobicContact SD-CB 4.15Å
2	P	41.9	Very low	36	Very low	125 Å²	125	166.8 Å²	166.8	81%	0.812	81%	0.809	S	S	*	*			cis	-74.6	152.8	-27.3	34.4	-32.4	0	0	0	109.2
3	D	36.2	Very low	35.9	Very low	105 Å²	105	173.7 Å²	173.7	56%	0.561	82%	0.822	S	S	*	*			cis	73	98.2	19.8	-150.7	16.8	0	0	0	116	M1 R5	M1-D3 HydrophobicContact SD-CB 4.15Å; D3-R5 IonicContact OD1-NE 2.74Å
4	N	34.1	Very low	35.8	Very low	154 Å²	154	172.1 Å²	172.1	82%	0.824	82%	0.818	S	S	*	*			trans	-154	78.2	167	-157.7	-9.2	0	0	0	109.5
5	R	35.7	Very low	35.6	Very low	219 Å²	219	176.7 Å²	176.7	83%	0.826	82%	0.824	S	S	*	*			trans	-82.6	116.6	-177.4	-64.5	175.6	-174.6	-161.5	-1.8	111.1	D3	D3-R5 IonicContact OD1-NE 2.74Å
6	Q	38.2	Very low	35.8	Very low	171 Å²	171	173.5 Å²	173.5	80%	0.799	83%	0.828	S	S	*	*			trans	-106.7	136.6	160.2	-73	-171.2	-10.2	0	0	110.8	R8	Q6-R8 PolarHBondContact O-N 2.73Å
7	P	36.3	Very low	36	Very low	125 Å²	125	166.9 Å²	166.9	81%	0.812	82%	0.817	S	S	*	*			trans	-75.6	112.9	-175.8	29.4	-33.8	0	0	0	111.6	N9	P7-N9 VanDerWaalsContact C-N 3.29Å; P7-N9 PolarHBondContact O-N 3.28Å
8	R	34.7	Very low	36.2	Very low	237 Å²	237	166.9 Å²	166.9	89%	0.894	82%	0.821	S	S	*	*			trans	-72.9	82.1	170.8	-77.2	-173.3	172.4	-178	-2.3	110.9	Q6 R10	Q6-R8 PolarHBondContact O-N 2.73Å; R8-R10 PolarHBondContact O-N 2.94Å
9	N	32.5	Very low	36.1	Very low	141 Å²	141	167.8 Å²	167.8	75%	0.754	82%	0.823	S	S	*	*			trans	-69	89.9	176.6	-163.3	2.6	0	0	0	110.9	P7 Q11	P7-N9 VanDerWaalsContact C-N 3.29Å; P7-N9 PolarHBondContact O-N 3.28Å; N9-Q11 PolarHBondContact O-N 3.33Å
10	R	34.7	Very low	36.1	Very low	234 Å²	234	165.6 Å²	165.6	88%	0.883	82%	0.822	S	S	*	*			trans	-74.6	91.3	178.4	-83	-175.6	167.2	177.4	-3.2	110.5	R8	R8-R10 PolarHBondContact O-N 2.94Å
11	Q	34	Very low	36	Very low	168 Å²	168	169.3 Å²	169.3	79%	0.785	83%	0.827	S	S	*	*			trans	-60.7	140.8	165.9	-69	179.4	-20.7	0	0	110.8	N9	N9-Q11 PolarHBondContact O-N 3.33Å
12	P	33.6	Very low	35.9	Very low	110 Å²	110	164.7 Å²	164.7	71%	0.714	82%	0.815	S	S	*	*			trans	-69.7	138.6	174.2	29	-33.9	0	0	0	111	I14	P12-I14 PolarHBondContact O-N 3.11Å
13	R	35.5	Very low	35.7	Very low	256 Å²	256	163 Å²	163	97%	0.966	81%	0.812	S	S	*	*			trans	-71.5	88.9	172.5	-81.8	-177	168.2	177.7	-4.7	110.6
14	I	33.8	Very low	35.8	Very low	151 Å²	151	163.6 Å²	163.6	77%	0.774	82%	0.821	S	S	*	*			trans	-66.4	129.9	164.8	-62.2	173.7	0	0	0	108	P12 S16	P12-I14 PolarHBondContact O-N 3.11Å; I14-S16 PolarHBondContact O-N 2.87Å
15	R	33.3	Very low	36.4	Very low	241 Å²	241	161 Å²	161	91%	0.909	82%	0.821	S	S	*	*			trans	-68.7	119.8	171.4	-78.2	-178	171.2	176.2	-3.4	108.7	G17	R15-G17 PolarHBondContact O-N 3.49Å
16	S	39.2	Very low	36.5	Very low	126 Å²	126	158.8 Å²	158.8	88%	0.881	82%	0.822	S	S	*	*			trans	-64.5	112.5	174.7	52.6	0	0	0	0	110.3	I14	I14-S16 PolarHBondContact O-N 2.87Å
17	G	39.2	Very low	36.7	Very low	62 Å²	62	158.5 Å²	158.5	64%	0.639	82%	0.821	S	S	*	*			trans	-172.3	24.3	-172.9	0	0	0	0	0	116.2	R15	R15-G17 PolarHBondContact O-N 3.49Å
18	N	39.8	Very low	36.9	Very low	166 Å²	166	157.5 Å²	157.5	89%	0.888	81%	0.814	S	S	*	*			trans	176.2	74.7	158.3	-94.1	-32.4	0	0	0	110.1
19	E	33.6	Very low	37.2	Very low	184 Å²	184	151.1 Å²	151.1	86%	0.86	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-84	127	154.7	-71.3	-170	148	0	0	108	R21	E19-R21 PolarHBondContact O-N 3.14Å
20	P	36.1	Very low	38.1	Very low	124 Å²	124	148.4 Å²	148.4	81%	0.805	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-66.1	117.8	171.8	27.9	-31.9	0	0	0	108.2	S22	P20-S22 PolarHBondContact O-N 2.85Å
21	R	35.1	Very low	38.9	Very low	244 Å²	244	145.8 Å²	145.8	92%	0.921	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-49.6	127.8	173.9	-77.9	-174.6	174.3	-176.7	-1	109.2	E19 A23	E19-R21 PolarHBondContact O-N 3.14Å; R21-A23 PolarHBondContact O-N 2.8Å; R21-A23 VanDerWaalsContact O-N 3.07Å
22	S	37.4	Very low	40.2	Very low	115 Å²	115	139.9 Å²	139.9	80%	0.804	78%	0.777	S	S	*	*	P	Polyproline II helix	trans	-50.8	116.3	175.3	52.2	0	0	0	0	109.9	P20	P20-S22 PolarHBondContact O-N 2.85Å
23	A	37.4	Very low	41.6	Very low	90 Å²	90	139.2 Å²	139.2	74%	0.744	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-60.9	133.8	175.1	0	0	0	0	0	109	R21 A25	R21-A23 PolarHBondContact O-N 2.8Å; R21-A23 VanDerWaalsContact O-N 3.07Å; A23-A25 PolarHBondContact O-N 3.21Å; A23-A25 VanDerWaalsContact O-N 3.12Å
24	P	37	Very low	43.5	Very low	118 Å²	118	132.7 Å²	132.7	77%	0.766	76%	0.757	S	S	*	*			trans	-66.2	115.3	177.8	26.9	-33	0	0	0	109.2	M26	P24-M26 PolarHBondContact O-N 3.27Å
25	A	47.4	Very low	45.4	Very low	99 Å²	99	126.8 Å²	126.8	82%	0.818	73%	0.73	S	S	*	*			trans	-73.2	117.4	168	0	0	0	0	0	108.6	A23	A23-A25 PolarHBondContact O-N 3.21Å; A23-A25 VanDerWaalsContact O-N 3.12Å
26	M	37.2	Very low	47.4	Very low	173 Å²	173	122 Å²	122	85%	0.852	72%	0.718	S	S	*	*			trans	-142.4	152.9	165.4	-79.2	-155.9	-75	0	0	110.8	P24	P24-M26 PolarHBondContact O-N 3.27Å
27	E	43.3	Very low	49.2	Very low	164 Å²	164	118.3 Å²	118.3	77%	0.766	69%	0.693	S	S	*	*			trans	-66.3	163.5	-168.2	-75.3	-64.8	119.6	0	0	114.8	D29	E27-D29 VanDerWaalsContact C-N 3.34Å; E27-D29 PolarHBondContact O-N 3Å
28	P	40.8	Very low	51.2	Low	104 Å²	104	118.2 Å²	118.2	68%	0.675	67%	0.673	S	S	*	*			trans	-76.3	80.1	-175	32.5	-35.9	0	0	0	112.4	G30	P28-G30 PolarHBondContact O-N 2.77Å
29	D	40.3	Very low	53.1	Low	104 Å²	104	112.3 Å²	112.3	56%	0.556	65%	0.647	S	S	*	*			trans	-61.1	128	173.5	-163.9	44.1	0	0	0	111.2	E27 R31	E27-D29 VanDerWaalsContact C-N 3.34Å; E27-D29 PolarHBondContact O-N 3Å; D29-R31 VanDerWaalsContact C-N 3.33Å; D29-R31 PolarHBondContact O-N 2.83Å; D29-R31 IonicContact OD2-CZ 3.22Å; D29-R31 VanDerWaalsContact OD2-CZ 3.22Å; D29-R31 IonicContact OD2-NE 2.97Å; D29-R31 PolarHBondContact OD2-NE 3.2Å; D29-R31 IonicContact OD2-NH2 2.66Å; D29-R31 PolarHBondContact OD2-NH2 3.27Å
30	G	51.9	Low	55.3	Low	83 Å²	83	105.6 Å²	105.6	86%	0.856	62%	0.623	S	S	*	*	S	Bend	trans	-71.4	66.5	-157	0	0	0	0	0	117	P28	P28-G30 PolarHBondContact O-N 2.77Å
31	R	51.8	Low	57.5	Low	179 Å²	179	100.5 Å²	100.5	68%	0.675	59%	0.589	S	S	*	*			trans	-120.2	132.1	177.9	-58.6	170.6	-147.4	-99.6	-1.5	109.5	D29 A35	D29-R31 VanDerWaalsContact C-N 3.33Å; D29-R31 PolarHBondContact O-N 2.83Å; D29-R31 IonicContact OD2-CZ 3.22Å; D29-R31 VanDerWaalsContact OD2-CZ 3.22Å; D29-R31 IonicContact OD2-NE 2.97Å; D29-R31 PolarHBondContact OD2-NE 3.2Å; D29-R31 IonicContact OD2-NH2 2.66Å; D29-R31 PolarHBondContact OD2-NH2 3.27Å; R31-A35 HydrophobicContact CB-CB 3.78Å; R31-A35 WeakPolarHBondContact O-CB 2.98Å
32	G	60	Low	59.7	Low	44 Å²	44	92 Å²	92	45%	0.454	56%	0.562	S	S	.	*			trans	-52.9	160.6	-162.3	0	0	0	0	0	116.9	W34 A35 R38	G32-W34 PolarHBondContact O-N 3.44Å; G32-A35 WeakPolarHBondContact O-CB 3.26Å; G32-A35 PolarHBondContact O-N 3.28Å; G32-R38 PolarHBondContact O-NH2 3.11Å; G32-R38 VanDerWaalsContact O-NH2 3.16Å
33	A	63.8	Low	61.9	Low	97 Å²	97	93.7 Å²	93.7	80%	0.802	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-42.3	-15.1	-152.9	0	0	0	0	0	120.2
34	W	75.6	Confident	64	Low	119 Å²	119	92 Å²	92	45%	0.451	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	10.7	178.4	-61.6	100.8	0	0	0	114.7	G32 H36 S37 R38 L115	G32-W34 PolarHBondContact O-N 3.44Å; W34-H36 VanDerWaalsContact C-N 3.33Å; W34-H36 PolarHBondContact O-N 3.47Å; W34-S37 PolarHBondContact O-N 3.46Å; W34-R38 PolarHBondContact O-N 3.05Å; W34-L115 HydrophobicContact CB-CD2 3.68Å; W34-L115 HydrophobicContact CD2-CD2 3.88Å; W34-L115 HydrophobicContact CE3-CD2 3.96Å; W34-L115 HydrophobicContact CG-CD2 3.78Å
35	A	72.2	Confident	66.2	Low	26 Å²	26	87.6 Å²	87.6	22%	0.215	50%	0.498	C	S	.	.	H	α-helix	trans	-53	-45.2	-177.4	0	0	0	0	0	113.5	R31 G32 S37 R38 A39	R31-A35 HydrophobicContact CB-CB 3.78Å; R31-A35 WeakPolarHBondContact O-CB 2.98Å; G32-A35 WeakPolarHBondContact O-CB 3.26Å; G32-A35 PolarHBondContact O-N 3.28Å; A35-S37 PolarHBondContact O-N 3.17Å; A35-R38 PolarHBondContact O-N 2.85Å; A35-A39 WeakPolarHBondContact O-CB 3.46Å; A35-A39 PolarHBondContact O-N 3.44Å
36	H	75.8	Confident	68	Low	140 Å²	140	88.1 Å²	88.1	65%	0.648	48%	0.482	S	S	*	.	H	α-helix	trans	-62.9	-38.6	176.2	-68.9	98.2	0	0	0	113	W34 A40	W34-H36 VanDerWaalsContact C-N 3.33Å; W34-H36 PolarHBondContact O-N 3.47Å; H36-A40 WeakPolarHBondContact O-CB 2.95Å; H36-A40 PolarHBondContact O-N 3.3Å
37	S	78.4	Confident	70.2	Confident	50 Å²	50	86.4 Å²	86.4	35%	0.35	48%	0.476	S	S	.	.	H	α-helix	trans	-71.1	-40.1	177.3	-53.9	0	0	0	0	112.2	W34 A35 A40 L41	W34-S37 PolarHBondContact O-N 3.46Å; A35-S37 PolarHBondContact O-N 3.17Å; S37-A40 PolarHBondContact O-N 3.44Å; S37-L41 WeakPolarHBondContact O-CB 3.24Å; S37-L41 PolarHBondContact O-N 3.29Å
38	R	80.6	Confident	72.1	Confident	59 Å²	59	79 Å²	79	22%	0.223	44%	0.441	C	S	.	.	H	α-helix	trans	-60.2	-46.6	171.7	-74.8	179.8	-81	-135.7	-3.9	111.3	G32 W34 A35 A40 L41 D42 L115 E119	G32-R38 PolarHBondContact O-NH2 3.11Å; G32-R38 VanDerWaalsContact O-NH2 3.16Å; W34-R38 PolarHBondContact O-N 3.05Å; A35-R38 PolarHBondContact O-N 2.85Å; R38-A40 VanDerWaalsContact C-N 3.32Å; R38-A40 PolarHBondContact O-N 3.03Å; R38-L41 PolarHBondContact O-N 2.93Å; R38-D42 PolarHBondContact O-N 3.47Å; R38-L115 HydrophobicContact CG-CB 4.36Å; R38-L115 HydrophobicContact CG-CD1 4.12Å; R38-E119 WeakPolarHBondContact CD-OE1 3.26Å; R38-E119 IonicContact CZ-OE1 3.56Å; R38-E119 IonicContact NE-OE1 3.71Å; R38-E119 IonicContact NH1-OE1 2.73Å; R38-E119 PolarHBondContact NH1-OE1 2.93Å
39	A	79.2	Confident	74.3	Confident	42 Å²	42	79.6 Å²	79.6	35%	0.347	43%	0.43	S	S	.	.	H	α-helix	trans	-65.9	-31.1	176.3	0	0	0	0	0	113.4	A35 R43	A35-A39 WeakPolarHBondContact O-CB 3.46Å; A35-A39 PolarHBondContact O-N 3.44Å; A39-R43 WeakPolarHBondContact O-CG 3.42Å; A39-R43 PolarHBondContact O-N 3.07Å; A39-R43 PolarHBondContact O-NH1 3.04Å
40	A	79.4	Confident	76.5	Confident	44 Å²	44	74.7 Å²	74.7	36%	0.364	40%	0.404	S	S	.	.	H	α-helix	trans	-71.8	-39.3	172.6	0	0	0	0	0	112.3	H36 S37 R38 R43 L44	H36-A40 WeakPolarHBondContact O-CB 2.95Å; H36-A40 PolarHBondContact O-N 3.3Å; S37-A40 PolarHBondContact O-N 3.44Å; R38-A40 VanDerWaalsContact C-N 3.32Å; R38-A40 PolarHBondContact O-N 3.03Å; A40-R43 PolarHBondContact O-N 3.26Å; A40-L44 PolarHBondContact O-N 2.68Å; A40-L44 VanDerWaalsContact O-N 3.13Å
41	L	83.3	Confident	78.1	Confident	17 Å²	17	73.1 Å²	73.1	9%	0.089	38%	0.38	C	S	.	.	H	α-helix	trans	-65.2	-46.1	176.6	-177.6	61.3	0	0	0	111.6	S37 R38 R43 L44 E45 C108 L111 R112 L115	S37-L41 WeakPolarHBondContact O-CB 3.24Å; S37-L41 PolarHBondContact O-N 3.29Å; R38-L41 PolarHBondContact O-N 2.93Å; L41-R43 VanDerWaalsContact C-N 3.3Å; L41-R43 PolarHBondContact O-N 2.96Å; L41-L44 PolarHBondContact O-N 2.62Å; L41-E45 HydrophobicContact CD1-CG 4.09Å; L41-E45 HydrophobicContact CG-CG 4.23Å; L41-E45 WeakPolarHBondContact O-CB 3.27Å; L41-E45 WeakPolarHBondContact O-CG 3.32Å; L41-E45 PolarHBondContact O-N 3.18Å; L41-C108 HydrophobicContact CD1-CB 3.97Å; L41-L111 HydrophobicContact CD1-CB 4.42Å; L41-L111 HydrophobicContact CD2-CB 4.41Å; L41-R112 HydrophobicContact CD2-CB 3.95Å; L41-L115 HydrophobicContact CD2-CD1 4.04Å
42	D	80.8	Confident	79.5	Confident	66 Å²	66	70.9 Å²	70.9	35%	0.353	37%	0.371	S	S	.	.	H	α-helix	trans	-56.7	-40.5	175.1	162.3	75.9	0	0	0	112.5	R38 E45 K46	R38-D42 PolarHBondContact O-N 3.47Å; D42-E45 PolarHBondContact O-N 2.79Å; D42-K46 WeakPolarHBondContact O-CB 3.31Å; D42-K46 WeakPolarHBondContact O-CD 3.23Å; D42-K46 VanDerWaalsContact O-CG 3.3Å; D42-K46 WeakPolarHBondContact O-CG 3.36Å; D42-K46 PolarHBondContact O-N 3.45Å; D42-K46 WeakPolarHBondContact OD1-CE 3.42Å; D42-K46 IonicContact OD1-NZ 2.67Å; D42-K46 PolarHBondContact OD1-NZ 3.06Å; D42-K46 IonicContact OD2-NZ 3.65Å; D42-K46 PolarHBondContact OD2-NZ 2.71Å
43	R	82.6	Confident	80.6	Confident	150 Å²	150	70.8 Å²	70.8	57%	0.566	36%	0.363	S	S	*	.	H	α-helix	trans	-63.7	-41.1	173.9	-71.8	-171.9	-59.8	-91.8	8.3	112.4	A39 A40 L41 K46 L47	A39-R43 WeakPolarHBondContact O-CG 3.42Å; A39-R43 PolarHBondContact O-N 3.07Å; A39-R43 PolarHBondContact O-NH1 3.04Å; A40-R43 PolarHBondContact O-N 3.26Å; L41-R43 VanDerWaalsContact C-N 3.3Å; L41-R43 PolarHBondContact O-N 2.96Å; R43-K46 PolarHBondContact O-N 3.43Å; R43-L47 PolarHBondContact O-N 3.23Å
44	L	82.3	Confident	81.3	Confident	55 Å²	55	70.8 Å²	70.8	29%	0.288	35%	0.353	S	S	.	.	H	α-helix	trans	-69.5	-41.2	177.9	-178.4	57	0	0	0	111.9	A40 L41 K46 L47 L48 M104 C108	A40-L44 PolarHBondContact O-N 2.68Å; A40-L44 VanDerWaalsContact O-N 3.13Å; L41-L44 PolarHBondContact O-N 2.62Å; L44-K46 VanDerWaalsContact C-N 3.25Å; L44-K46 PolarHBondContact O-N 3.48Å; L44-L47 PolarHBondContact O-N 3.3Å; L44-L47 VanDerWaalsContact O-N 3.13Å; L44-L48 HydrophobicContact CD1-CD1 4.23Å; L44-L48 HydrophobicContact CD1-CG 4.48Å; L44-L48 HydrophobicContact CG-CD1 4.14Å; L44-L48 WeakPolarHBondContact O-CG 3.32Å; L44-L48 PolarHBondContact O-N 2.75Å; L44-M104 HydrophobicContact CD1-CE 4.03Å; L44-C108 WeakPolarHBondContact CD2-SG 3.41Å
45	E	83.8	Confident	81.6	Confident	25 Å²	25	70.3 Å²	70.3	12%	0.117	36%	0.36	C	S	.	.	H	α-helix	trans	-67	-24.2	175.7	-70.6	-175.3	168.5	0	0	113	L41 D42 R49 I56 C108 R112	L41-E45 HydrophobicContact CD1-CG 4.09Å; L41-E45 HydrophobicContact CG-CG 4.23Å; L41-E45 WeakPolarHBondContact O-CB 3.27Å; L41-E45 WeakPolarHBondContact O-CG 3.32Å; L41-E45 PolarHBondContact O-N 3.18Å; D42-E45 PolarHBondContact O-N 2.79Å; E45-R49 WeakPolarHBondContact O-CG 3.44Å; E45-I56 HydrophobicContact CB-CD1 4.13Å; E45-I56 HydrophobicContact CG-CD1 4.17Å; E45-C108 HydrophobicContact CG-CB 4.43Å; E45-R112 IonicContact OE1-CZ 3.35Å; E45-R112 IonicContact OE1-NE 2.84Å; E45-R112 PolarHBondContact OE1-NE 2.88Å; E45-R112 IonicContact OE1-NH2 3.07Å; E45-R112 PolarHBondContact OE1-NH2 2.76Å; E45-R112 IonicContact OE2-CZ 3.59Å; E45-R112 IonicContact OE2-NE 3.68Å; E45-R112 IonicContact OE2-NH2 2.7Å; E45-R112 PolarHBondContact OE2-NH2 3.24Å
46	K	84.1	Confident	82.2	Confident	109 Å²	109	71.6 Å²	71.6	47%	0.474	36%	0.363	S	S	.	.	H	α-helix	trans	-72.2	-35	169.6	-78.5	163.6	178.4	161.7	0	112.9	D42 R43 L44 R49	D42-K46 WeakPolarHBondContact O-CB 3.31Å; D42-K46 WeakPolarHBondContact O-CD 3.23Å; D42-K46 VanDerWaalsContact O-CG 3.3Å; D42-K46 WeakPolarHBondContact O-CG 3.36Å; D42-K46 PolarHBondContact O-N 3.45Å; D42-K46 WeakPolarHBondContact OD1-CE 3.42Å; D42-K46 IonicContact OD1-NZ 2.67Å; D42-K46 PolarHBondContact OD1-NZ 3.06Å; D42-K46 IonicContact OD2-NZ 3.65Å; D42-K46 PolarHBondContact OD2-NZ 2.71Å; R43-K46 PolarHBondContact O-N 3.43Å; L44-K46 VanDerWaalsContact C-N 3.25Å; L44-K46 PolarHBondContact O-N 3.48Å; K46-R49 WeakPolarHBondContact O-CG 3.43Å
47	L	83.3	Confident	82.6	Confident	138 Å²	138	65 Å²	65	72%	0.723	33%	0.332	S	S	*	.	H	α-helix	trans	-74.6	-27	174.7	-65.3	171.9	0	0	0	112.6	R43 L44 R49	R43-L47 PolarHBondContact O-N 3.23Å; L44-L47 PolarHBondContact O-N 3.3Å; L44-L47 VanDerWaalsContact O-N 3.13Å; L47-R49 VanDerWaalsContact C-N 3.27Å; L47-R49 PolarHBondContact O-N 3.42Å
48	L	84.6	Confident	82.5	Confident	7 Å²	7	72.3 Å²	72.3	4%	0.037	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	31.5	177.9	-64.8	171.7	0	0	0	113.3	L44 I56 L57 L101 M104 I105	L44-L48 HydrophobicContact CD1-CD1 4.23Å; L44-L48 HydrophobicContact CD1-CG 4.48Å; L44-L48 HydrophobicContact CG-CD1 4.14Å; L44-L48 WeakPolarHBondContact O-CG 3.32Å; L44-L48 PolarHBondContact O-N 2.75Å; L48-I56 WeakPolarHBondContact O-CA 3.29Å; L48-L57 WeakPolarHBondContact O-CG 3.35Å; L48-L57 PolarHBondContact O-N 2.98Å; L48-L101 HydrophobicContact CD2-CD2 3.87Å; L48-M104 HydrophobicContact CD1-CB 4.35Å; L48-M104 HydrophobicContact CD2-CE 4.45Å; L48-I105 HydrophobicContact CB-CG1 4.46Å; L48-I105 HydrophobicContact CD1-CG1 4.16Å; L48-I105 HydrophobicContact CD2-CG1 4.35Å
49	R	87.1	Confident	82.3	Confident	117 Å²	117	75.4 Å²	75.4	44%	0.442	37%	0.369	S	S	.	.	B	Isolated β-bridge	trans	-95.7	140.8	176.7	-68.1	-179.4	178.3	-145.1	3.5	111.9	E45 K46 L47 S51 T54 N55	E45-R49 WeakPolarHBondContact O-CG 3.44Å; K46-R49 WeakPolarHBondContact O-CG 3.43Å; L47-R49 VanDerWaalsContact C-N 3.27Å; L47-R49 PolarHBondContact O-N 3.42Å; R49-S51 PolarHBondContact O-N 2.92Å; R49-T54 VanDerWaalsContact CD-O 3.3Å; R49-T54 WeakPolarHBondContact CD-O 3.4Å; R49-T54 WeakPolarHBondContact CG-O 3.45Å; R49-N55 CarbonylContact C-O 3.39Å; R49-N55 WeakPolarHBondContact CA-O 3.44Å
50	C	85.8	Confident	82.4	Confident	2 Å²	2	73.8 Å²	73.8	1%	0.014	36%	0.355	C	S	.	.			trans	-65.9	125.4	173.3	175.7	0	0	0	0	111	R52 C53 T54 N55 L57 I69 C71	C50-R52 PolarHBondContact O-N 3.39Å; C50-R52 PolarHBondContact SG-N 3.21Å; C50-C53 WeakPolarHBondContact CB-SG 3.44Å; C50-C53 PolarHBondContact SG-N 3.24Å; C50-T54 VanDerWaalsContact O-CA 3.31Å; C50-T54 WeakPolarHBondContact O-CA 3.38Å; C50-T54 PolarHBondContact O-N 3.37Å; C50-N55 PolarHBondContact N-O 3.12Å; C50-L57 HydrophobicContact CB-CD2 3.91Å; C50-I69 WeakPolarHBondContact CA-O 3.41Å; C50-C71 PolarHBondContact SG-N 3.48Å; C50-C71 VanDerWaalsContact SG-N 3.43Å
51	S	85.4	Confident	82.3	Confident	50 Å²	50	72.7 Å²	72.7	35%	0.35	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-11	179.9	-51.1	0	0	0	0	114.3	R49 I69	R49-S51 PolarHBondContact O-N 2.92Å; S51-I69 PolarHBondContact N-O 3.01Å; S51-I69 PolarHBondContact OG-N 3.41Å; S51-I69 PolarHBondContact OG-O 2.99Å
52	R	81.7	Confident	82.1	Confident	132 Å²	132	72.5 Å²	72.5	50%	0.498	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.4	-44.1	176.1	-168.6	178	-176	177.9	0.4	114	C50 F70 C74	C50-R52 PolarHBondContact O-N 3.39Å; C50-R52 PolarHBondContact SG-N 3.21Å; R52-F70 HydrophobicContact CB-CD1 3.85Å; R52-F70 HydrophobicContact CB-CE1 4.02Å; R52-C74 HydrophobicContact CB-CB 4.27Å; R52-C74 WeakPolarHBondContact CD-O 3.46Å; R52-C74 PolarHBondContact NH1-O 3.14Å
53	C	82.4	Confident	81.6	Confident	42 Å²	42	69.4 Å²	69.4	28%	0.284	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108	0.9	-174.2	75.9	0	0	0	0	114.8	C50 N55	C50-C53 WeakPolarHBondContact CB-SG 3.44Å; C50-C53 PolarHBondContact SG-N 3.24Å; C53-N55 PolarHBondContact O-N 3.4Å; C53-N55 PolarHBondContact O-ND2 2.77Å
54	T	78.6	Confident	80.8	Confident	96 Å²	96	62.6 Å²	62.6	59%	0.589	30%	0.303	S	S	*	.			trans	56.6	-9	178	74	0	0	0	0	117.8	R49 C50	R49-T54 VanDerWaalsContact CD-O 3.3Å; R49-T54 WeakPolarHBondContact CD-O 3.4Å; R49-T54 WeakPolarHBondContact CG-O 3.45Å; C50-T54 VanDerWaalsContact O-CA 3.31Å; C50-T54 WeakPolarHBondContact O-CA 3.38Å; C50-T54 PolarHBondContact O-N 3.37Å
55	N	83.3	Confident	80.1	Confident	110 Å²	110	63 Å²	63	59%	0.588	32%	0.321	S	S	*	.	S	Bend	trans	-66.8	160.1	168.7	-73.2	-76.7	0	0	0	111.5	R49 C50 C53 L57	R49-N55 CarbonylContact C-O 3.39Å; R49-N55 WeakPolarHBondContact CA-O 3.44Å; C50-N55 PolarHBondContact N-O 3.12Å; C53-N55 PolarHBondContact O-N 3.4Å; C53-N55 PolarHBondContact O-ND2 2.77Å; N55-L57 PolarHBondContact O-N 2.99Å
56	I	83.8	Confident	79.8	Confident	53 Å²	53	63.3 Å²	63.3	27%	0.272	33%	0.325	S	S	.	.	B	Isolated β-bridge	trans	-58.5	135.3	168.7	-65.6	172.3	0	0	0	108.9	E45 L48 I105	E45-I56 HydrophobicContact CB-CD1 4.13Å; E45-I56 HydrophobicContact CG-CD1 4.17Å; L48-I56 WeakPolarHBondContact O-CA 3.29Å; I56-I105 HydrophobicContact CG2-CG2 4.16Å
57	L	83.3	Confident	79.5	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.005	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-52.4	140.1	-178.4	-71.9	161.3	0	0	0	112.2	L48 C50 N55 P60 I69 F70 I105	L48-L57 WeakPolarHBondContact O-CG 3.35Å; L48-L57 PolarHBondContact O-N 2.98Å; C50-L57 HydrophobicContact CB-CD2 3.91Å; N55-L57 PolarHBondContact O-N 2.99Å; L57-P60 HydrophobicContact CB-CB 4.24Å; L57-P60 HydrophobicContact CD1-CB 4.27Å; L57-P60 HydrophobicContact CD2-CB 4.4Å; L57-I69 HydrophobicContact CD1-CB 4.25Å; L57-I69 HydrophobicContact CD1-CG2 3.57Å; L57-I69 HydrophobicContact CD2-CG2 3.87Å; L57-I69 HydrophobicContact CG-CG2 4.4Å; L57-F70 WeakPolarHBondContact CD2-O 3.41Å; L57-I105 HydrophobicContact CB-CD1 3.49Å; L57-I105 VanDerWaalsContact CB-CD1 3.49Å; L57-I105 HydrophobicContact CB-CG1 4.4Å; L57-I105 HydrophobicContact CD1-CD1 4.45Å
58	R	77.5	Confident	79.5	Confident	204 Å²	204	63.4 Å²	63.4	77%	0.77	32%	0.323	S	S	*	.	S	Bend	trans	-132.6	127.8	168.2	-64.4	-175.8	-177.8	-176.1	0.8	107.2	C71	R58-C71 PolarHBondContact N-SG 3.17Å; R58-C71 VanDerWaalsContact N-SG 3.38Å; R58-C71 WeakPolarHBondContact O-CA 3.39Å; R58-C71 VanDerWaalsContact O-CB 3.28Å; R58-C71 WeakPolarHBondContact O-CB 3.49Å
59	E	76.1	Confident	79.4	Confident	124 Å²	124	64.8 Å²	64.8	58%	0.579	33%	0.331	S	S	*	.	S	Bend	trans	48.5	68.3	-168.4	-60.8	179.8	175.5	0	0	110.5	V61 S72	E59-V61 PolarHBondContact O-N 2.9Å; E59-S72 PolarHBondContact O-N 3.49Å; E59-S72 WeakPolarHBondContact OE2-CB 3.25Å; E59-S72 PolarHBondContact OE2-OG 3.48Å
60	P	81.8	Confident	79.3	Confident	7 Å²	7	59.2 Å²	59.2	5%	0.045	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	133.1	-174.1	25.7	-34.8	0	0	0	111.9	L57 I69 F70 N98 L101 D102 I105	L57-P60 HydrophobicContact CB-CB 4.24Å; L57-P60 HydrophobicContact CD1-CB 4.27Å; L57-P60 HydrophobicContact CD2-CB 4.4Å; P60-I69 HydrophobicContact CB-CG2 4.42Å; P60-F70 CarbonylContact C-O 3.59Å; P60-F70 WeakPolarHBondContact CA-O 3.37Å; P60-N98 WeakPolarHBondContact CG-O 3.33Å; P60-N98 VanDerWaalsContact O-CB 3.25Å; P60-N98 WeakPolarHBondContact O-CB 3.4Å; P60-N98 PolarHBondContact O-OD1 3.13Å; P60-L101 HydrophobicContact CB-CB 3.83Å; P60-L101 HydrophobicContact CB-CD1 4.19Å; P60-L101 HydrophobicContact CG-CB 3.58Å; P60-D102 HydrophobicContact CG-CB 4.08Å; P60-I105 HydrophobicContact CB-CD1 4.27Å; P60-I105 HydrophobicContact CG-CD1 3.87Å
61	V	77.6	Confident	79.3	Confident	22 Å²	22	59.7 Å²	59.7	13%	0.133	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	113.4	176.9	178.3	0	0	0	0	108.9	E59 F70 V75 I92	E59-V61 PolarHBondContact O-N 2.9Å; V61-F70 PolarHBondContact N-O 3.05Å; V61-F70 PolarHBondContact O-N 3.26Å; V61-V75 HydrophobicContact CG1-CG1 4.43Å; V61-I92 HydrophobicContact CG1-CG2 4.4Å
62	C	78.9	Confident	79.2	Confident	13 Å²	13	59.3 Å²	59.3	9%	0.088	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	126.3	163.1	-65.1	0	0	0	0	109.5	Q93 N98 L101	C62-Q93 HydrophobicContact CB-CB 4.4Å; C62-Q93 PolarHBondContact O-N 3.48Å; C62-N98 PolarHBondContact N-OD1 2.93Å; C62-L101 VanDerWaalsContact SG-CD1 3.5Å
63	L	70.3	Confident	79.1	Confident	1 Å²	1	59.5 Å²	59.5	1%	0.005	32%	0.321	C	S	.	.			trans	-90.6	-0.7	-173.4	-95.1	-174.4	0	0	0	114.9	F70 V75 A90 W91 I92	L63-F70 HydrophobicContact CD1-CD2 4.05Å; L63-F70 HydrophobicContact CD1-CE2 3.95Å; L63-F70 HydrophobicContact CG-CD2 4.29Å; L63-F70 HydrophobicContact CG-CE2 4.49Å; L63-V75 HydrophobicContact CD1-CG1 3.83Å; L63-V75 HydrophobicContact CD1-CG2 3.87Å; L63-V75 HydrophobicContact CD2-CG1 3.69Å; L63-V75 HydrophobicContact CG-CG1 3.89Å; L63-V75 HydrophobicContact CG-CG2 4.42Å; L63-A90 HydrophobicContact CB-CB 4.04Å; L63-A90 HydrophobicContact CD1-CB 4.34Å; L63-A90 HydrophobicContact CD2-CB 4.27Å; L63-A90 HydrophobicContact CG-CB 4.45Å; L63-A90 CarbonylContact O-C 3.6Å; L63-A90 VanDerWaalsContact O-CA 3.29Å; L63-A90 WeakPolarHBondContact O-CA 3.47Å; L63-A90 WeakPolarHBondContact O-CB 3.35Å; L63-W91 CarbonylContact C-O 3.58Å; L63-W91 VanDerWaalsContact C-O 3.31Å; L63-W91 CarbonylContact O-C 3.57Å; L63-W91 VanDerWaalsContact O-C 3.29Å; L63-W91 PolarHBondContact O-N 3.47Å; L63-I92 HydrophobicContact CD2-CG1 4.44Å
64	G	65.4	Low	79.1	Confident	6 Å²	6	58.4 Å²	58.4	6%	0.062	31%	0.314	C	S	.	.	S	Bend	trans	70.6	166.7	-173.8	0	0	0	0	0	113.2	C66	G64-C66 PolarHBondContact O-N 2.96Å
65	G	67.3	Low	78.9	Confident	64 Å²	64	53.9 Å²	53.9	66%	0.66	29%	0.286	S	S	*	.	S	Bend	trans	68.1	-15.2	177.9	0	0	0	0	0	116.4
66	C	77.1	Confident	78.2	Confident	32 Å²	32	51.6 Å²	51.6	22%	0.216	28%	0.279	C	S	.	.	S	Bend	trans	-154	167.2	-179.2	65.7	0	0	0	0	112.1	G64 H68 C83	G64-C66 PolarHBondContact O-N 2.96Å; C66-H68 VanDerWaalsContact C-N 3.27Å; C66-H68 PolarHBondContact O-N 2.92Å; C66-C83 PolarHBondContact SG-SG 2.95Å
67	E	77.8	Confident	77.5	Confident	192 Å²	192	55.4 Å²	55.4	90%	0.897	30%	0.299	S	S	*	.	S	Bend	trans	-81	2.6	-179.5	-57.6	-170.5	148.8	0	0	114.2
68	H	83.1	Confident	76.5	Confident	56 Å²	56	56.4 Å²	56.4	26%	0.259	31%	0.306	S	S	.	.			trans	-76.6	132.8	-176.5	-62.1	109.1	0	0	0	112.4	C66 F70 C86	C66-H68 VanDerWaalsContact C-N 3.27Å; C66-H68 PolarHBondContact O-N 2.92Å; H68-F70 HydrophobicContact CB-CE2 3.59Å; H68-F70 HydrophobicContact CB-CZ 3.59Å; H68-C86 PolarHBondContact ND1-SG 3.11Å; H68-C86 VanDerWaalsContact ND1-SG 3.38Å
69	I	83.2	Confident	75.9	Confident	37 Å²	37	51.2 Å²	51.2	19%	0.19	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.4	-176.2	-46.5	178.4	0	0	0	109.3	C50 S51 L57 P60 L101	C50-I69 WeakPolarHBondContact CA-O 3.41Å; S51-I69 PolarHBondContact N-O 3.01Å; S51-I69 PolarHBondContact OG-N 3.41Å; S51-I69 PolarHBondContact OG-O 2.99Å; L57-I69 HydrophobicContact CD1-CB 4.25Å; L57-I69 HydrophobicContact CD1-CG2 3.57Å; L57-I69 HydrophobicContact CD2-CG2 3.87Å; L57-I69 HydrophobicContact CG-CG2 4.4Å; P60-I69 HydrophobicContact CB-CG2 4.42Å; I69-L101 HydrophobicContact CD1-CD1 4.12Å; I69-L101 HydrophobicContact CD1-CD2 4.25Å; I69-L101 HydrophobicContact CG2-CD1 3.9Å
70	F	85	Confident	75.1	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	159.7	-172.4	-56.4	-85	0	0	0	112.4	R52 L57 P60 V61 L63 H68 V75 P84 V85	R52-F70 HydrophobicContact CB-CD1 3.85Å; R52-F70 HydrophobicContact CB-CE1 4.02Å; L57-F70 WeakPolarHBondContact CD2-O 3.41Å; P60-F70 CarbonylContact C-O 3.59Å; P60-F70 WeakPolarHBondContact CA-O 3.37Å; V61-F70 PolarHBondContact N-O 3.05Å; V61-F70 PolarHBondContact O-N 3.26Å; L63-F70 HydrophobicContact CD1-CD2 4.05Å; L63-F70 HydrophobicContact CD1-CE2 3.95Å; L63-F70 HydrophobicContact CG-CD2 4.29Å; L63-F70 HydrophobicContact CG-CE2 4.49Å; H68-F70 HydrophobicContact CB-CE2 3.59Å; H68-F70 HydrophobicContact CB-CZ 3.59Å; F70-V75 HydrophobicContact CB-CB 4.34Å; F70-V75 HydrophobicContact CB-CG2 3.39Å; F70-V75 HydrophobicContact CD1-CG2 3.93Å; F70-V75 HydrophobicContact CD2-CG2 3.73Å; F70-V75 HydrophobicContact CE2-CG2 4.5Å; F70-V75 HydrophobicContact CG-CG2 3.4Å; F70-V75 VanDerWaalsContact CG-CG2 3.4Å; F70-P84 HydrophobicContact CD1-CG 4.42Å; F70-P84 HydrophobicContact CE1-CG 3.78Å; F70-P84 HydrophobicContact CE2-CG 4.49Å; F70-P84 HydrophobicContact CZ-CG 3.82Å; F70-V85 HydrophobicContact CE1-CG2 3.68Å; F70-V85 HydrophobicContact CZ-CB 4.45Å; F70-V85 HydrophobicContact CZ-CG2 3.75Å
71	C	86.1	Confident	74.4	Confident	12 Å²	12	52.6 Å²	52.6	8%	0.081	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	148.5	160.2	-54.4	0	0	0	0	109.5	C50 R58 N73 C74	C50-C71 PolarHBondContact SG-N 3.48Å; C50-C71 VanDerWaalsContact SG-N 3.43Å; R58-C71 PolarHBondContact N-SG 3.17Å; R58-C71 VanDerWaalsContact N-SG 3.38Å; R58-C71 WeakPolarHBondContact O-CA 3.39Å; R58-C71 VanDerWaalsContact O-CB 3.28Å; R58-C71 WeakPolarHBondContact O-CB 3.49Å; C71-N73 PolarHBondContact O-N 3.21Å; C71-C74 HydrophobicContact CB-CB 4.26Å; C71-C74 WeakPolarHBondContact O-CA 3.39Å; C71-C74 WeakPolarHBondContact O-CB 3.34Å; C71-C74 PolarHBondContact O-N 2.97Å
72	S	81.9	Confident	74.2	Confident	41 Å²	41	52.1 Å²	52.1	29%	0.287	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-42.1	-57.8	170.8	179.5	0	0	0	0	112.6	E59 C74 V75 S76	E59-S72 PolarHBondContact O-N 3.49Å; E59-S72 WeakPolarHBondContact OE2-CB 3.25Å; E59-S72 PolarHBondContact OE2-OG 3.48Å; S72-C74 PolarHBondContact O-N 3.14Å; S72-V75 PolarHBondContact O-N 3.34Å; S72-S76 PolarHBondContact O-N 2.68Å
73	N	81.2	Confident	74.1	Confident	136 Å²	136	51.5 Å²	51.5	73%	0.727	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-67.6	-0.5	179.2	-58.6	10.4	0	0	0	115.2	C71	C71-N73 PolarHBondContact O-N 3.21Å
74	C	81.1	Confident	74.4	Confident	20 Å²	20	53.2 Å²	53.2	14%	0.135	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-101.1	-3.4	173.9	-68.1	0	0	0	0	112.7	R52 C71 S72	R52-C74 HydrophobicContact CB-CB 4.27Å; R52-C74 WeakPolarHBondContact CD-O 3.46Å; R52-C74 PolarHBondContact NH1-O 3.14Å; C71-C74 HydrophobicContact CB-CB 4.26Å; C71-C74 WeakPolarHBondContact O-CA 3.39Å; C71-C74 WeakPolarHBondContact O-CB 3.34Å; C71-C74 PolarHBondContact O-N 2.97Å; S72-C74 PolarHBondContact O-N 3.14Å
75	V	75.3	Confident	75.1	Confident	1 Å²	1	55.9 Å²	55.9	1%	0.006	34%	0.341	C	S	.	.	T	Hydrogen-bonded Turn	trans	-134.3	-9.9	-171.2	156.4	0	0	0	0	113.5	V61 L63 F70 S72 D77 C78 I79 P84	V61-V75 HydrophobicContact CG1-CG1 4.43Å; L63-V75 HydrophobicContact CD1-CG1 3.83Å; L63-V75 HydrophobicContact CD1-CG2 3.87Å; L63-V75 HydrophobicContact CD2-CG1 3.69Å; L63-V75 HydrophobicContact CG-CG1 3.89Å; L63-V75 HydrophobicContact CG-CG2 4.42Å; F70-V75 HydrophobicContact CB-CB 4.34Å; F70-V75 HydrophobicContact CB-CG2 3.39Å; F70-V75 HydrophobicContact CD1-CG2 3.93Å; F70-V75 HydrophobicContact CD2-CG2 3.73Å; F70-V75 HydrophobicContact CE2-CG2 4.5Å; F70-V75 HydrophobicContact CG-CG2 3.4Å; F70-V75 VanDerWaalsContact CG-CG2 3.4Å; S72-V75 PolarHBondContact O-N 3.34Å; V75-D77 PolarHBondContact O-N 3.26Å; V75-C78 CarbonylContact O-C 3.59Å; V75-C78 WeakPolarHBondContact O-CA 3.16Å; V75-C78 PolarHBondContact O-N 3.25Å; V75-I79 HydrophobicContact CG1-CG1 3.95Å; V75-I79 PolarHBondContact O-N 3.37Å; V75-P84 HydrophobicContact CG2-CG 4.35Å
76	S	68.2	Low	75.7	Confident	62 Å²	62	55.1 Å²	55.1	43%	0.434	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-37.6	-46.3	178.3	47.3	0	0	0	0	114.7	S72 C78	S72-S76 PolarHBondContact O-N 2.68Å; S76-C78 VanDerWaalsContact C-N 3.31Å; S76-C78 PolarHBondContact O-N 3.15Å
77	D	68.4	Low	75.7	Confident	132 Å²	132	62.8 Å²	62.8	71%	0.706	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-88.4	1.4	-172.1	-28	-32.9	0	0	0	112.7	V75	V75-D77 PolarHBondContact O-N 3.26Å
78	C	63.1	Low	75.5	Confident	23 Å²	23	56 Å²	56	16%	0.155	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-126.3	6.9	-175	-51.1	0	0	0	0	112.9	V75 S76 G80 T81	V75-C78 CarbonylContact O-C 3.59Å; V75-C78 WeakPolarHBondContact O-CA 3.16Å; V75-C78 PolarHBondContact O-N 3.25Å; S76-C78 VanDerWaalsContact C-N 3.31Å; S76-C78 PolarHBondContact O-N 3.15Å; C78-G80 PolarHBondContact O-N 3.46Å; C78-T81 PolarHBondContact O-N 2.76Å; C78-T81 PolarHBondContact O-OG1 3.1Å
79	I	64.6	Low	74.8	Confident	95 Å²	95	57.7 Å²	57.7	49%	0.487	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	121.1	177.5	-64.4	173.3	0	0	0	109.2	V75 I92	V75-I79 HydrophobicContact CG1-CG1 3.95Å; V75-I79 PolarHBondContact O-N 3.37Å; I79-I92 HydrophobicContact CD1-CD1 4.39Å; I79-I92 HydrophobicContact CG1-CD1 4.48Å; I79-I92 HydrophobicContact CG2-CD1 3.85Å; I79-I92 HydrophobicContact CG2-CG1 4.31Å
80	G	59	Low	73.7	Confident	49 Å²	49	56 Å²	56	51%	0.505	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.2	2.3	176.1	0	0	0	0	0	115.8	C78	C78-G80 PolarHBondContact O-N 3.46Å
81	T	68.3	Low	72.9	Confident	111 Å²	111	65.6 Å²	65.6	68%	0.681	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-52.9	175.9	55.5	0	0	0	0	112.6	C78	C78-T81 PolarHBondContact O-N 2.76Å; C78-T81 PolarHBondContact O-OG1 3.1Å
82	G	72.2	Confident	71.7	Confident	11 Å²	11	69.4 Å²	69.4	11%	0.113	39%	0.385	C	S	.	.			trans	172.2	164.3	-179.3	0	0	0	0	0	113.6	T88	G82-T88 WeakPolarHBondContact CA-O 3.42Å
83	C	78.3	Confident	70.5	Confident	0 Å²	0	72 Å²	72	0%	0	39%	0.392	C	S	.	.			trans	-67.7	124	176.3	176.8	0	0	0	0	110.8	C66 V85 C86 Y87 T88	C66-C83 PolarHBondContact SG-SG 2.95Å; C83-V85 PolarHBondContact O-N 3.15Å; C83-C86 PolarHBondContact O-N 3.18Å; C83-Y87 VanDerWaalsContact O-CA 3.26Å; C83-Y87 WeakPolarHBondContact O-CA 3.48Å; C83-Y87 PolarHBondContact O-N 3.27Å; C83-T88 PolarHBondContact N-O 2.81Å
84	P	75.7	Confident	69.4	Low	37 Å²	37	69.4 Å²	69.4	24%	0.24	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	7	-175.2	30.8	-37.1	0	0	0	114.8	F70 V75	F70-P84 HydrophobicContact CD1-CG 4.42Å; F70-P84 HydrophobicContact CE1-CG 3.78Å; F70-P84 HydrophobicContact CE2-CG 4.49Å; F70-P84 HydrophobicContact CZ-CG 3.82Å; V75-P84 HydrophobicContact CG2-CG 4.35Å
85	V	80	Confident	68.4	Low	63 Å²	63	72.2 Å²	72.2	38%	0.382	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-38.3	179.2	179.1	0	0	0	0	112.2	F70 C83	F70-V85 HydrophobicContact CE1-CG2 3.68Å; F70-V85 HydrophobicContact CZ-CB 4.45Å; F70-V85 HydrophobicContact CZ-CG2 3.75Å; C83-V85 PolarHBondContact O-N 3.15Å
86	C	80.8	Confident	67.9	Low	47 Å²	47	78.2 Å²	78.2	32%	0.318	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-125.7	5.6	-177.1	63.1	0	0	0	0	114.6	H68 C83 T88	H68-C86 PolarHBondContact ND1-SG 3.11Å; H68-C86 VanDerWaalsContact ND1-SG 3.38Å; C83-C86 PolarHBondContact O-N 3.18Å; C86-T88 PolarHBondContact O-N 2.78Å; C86-T88 PolarHBondContact SG-OG1 3.22Å
87	Y	76.2	Confident	68.1	Low	194 Å²	194	77.9 Å²	77.9	76%	0.761	41%	0.411	S	S	*	.			trans	57.8	5.3	175.9	-53.9	-79.3	0	0	0	116.5	C83	C83-Y87 VanDerWaalsContact O-CA 3.26Å; C83-Y87 WeakPolarHBondContact O-CA 3.48Å; C83-Y87 PolarHBondContact O-N 3.27Å
88	T	73.7	Confident	68.4	Low	50 Å²	50	72.2 Å²	72.2	31%	0.307	38%	0.38	S	S	.	.			trans	-58.1	134.5	172.4	-42.5	0	0	0	0	110.4	G82 C83 C86 A90	G82-T88 WeakPolarHBondContact CA-O 3.42Å; C83-T88 PolarHBondContact N-O 2.81Å; C86-T88 PolarHBondContact O-N 2.78Å; C86-T88 PolarHBondContact SG-OG1 3.22Å; T88-A90 PolarHBondContact O-N 3.08Å
89	P	68.3	Low	69.1	Low	90 Å²	90	75.9 Å²	75.9	58%	0.584	39%	0.391	S	S	*	.			trans	-53.8	133.3	174.4	-27.8	35.9	0	0	0	111.7
90	A	61.5	Low	69.8	Low	2 Å²	2	76.5 Å²	76.5	2%	0.017	39%	0.392	C	S	.	.			trans	-132.1	126.1	-161	0	0	0	0	0	112.7	L63 T88	L63-A90 HydrophobicContact CB-CB 4.04Å; L63-A90 HydrophobicContact CD1-CB 4.34Å; L63-A90 HydrophobicContact CD2-CB 4.27Å; L63-A90 HydrophobicContact CG-CB 4.45Å; L63-A90 CarbonylContact O-C 3.6Å; L63-A90 VanDerWaalsContact O-CA 3.29Å; L63-A90 WeakPolarHBondContact O-CA 3.47Å; L63-A90 WeakPolarHBondContact O-CB 3.35Å; T88-A90 PolarHBondContact O-N 3.08Å
91	W	66.8	Low	70.9	Confident	202 Å²	202	75.1 Å²	75.1	77%	0.765	37%	0.373	S	S	*	.			trans	-130.8	125.5	178.6	-51.6	85.3	0	0	0	107.8	L63 Q93	L63-W91 CarbonylContact C-O 3.58Å; L63-W91 VanDerWaalsContact C-O 3.31Å; L63-W91 CarbonylContact O-C 3.57Å; L63-W91 VanDerWaalsContact O-C 3.29Å; L63-W91 PolarHBondContact O-N 3.47Å; W91-Q93 PolarHBondContact O-N 2.74Å
92	I	60.7	Low	71.4	Confident	92 Å²	92	72.2 Å²	72.2	47%	0.472	35%	0.353	S	S	.	.			trans	-50.6	112.3	-172.3	-60.2	175.7	0	0	0	110.4	V61 L63 I79	V61-I92 HydrophobicContact CG1-CG2 4.4Å; L63-I92 HydrophobicContact CD2-CG1 4.44Å; I79-I92 HydrophobicContact CD1-CD1 4.39Å; I79-I92 HydrophobicContact CG1-CD1 4.48Å; I79-I92 HydrophobicContact CG2-CD1 3.85Å; I79-I92 HydrophobicContact CG2-CG1 4.31Å
93	Q	58.3	Low	71.9	Confident	94 Å²	94	75.1 Å²	75.1	44%	0.439	37%	0.372	S	S	.	.			trans	-83.6	141.9	-173.9	-166.3	172.6	7.3	0	0	110.8	C62 W91 I97 N98	C62-Q93 HydrophobicContact CB-CB 4.4Å; C62-Q93 PolarHBondContact O-N 3.48Å; W91-Q93 PolarHBondContact O-N 2.74Å; Q93-I97 HydrophobicContact CG-CD1 4.34Å; Q93-N98 PolarHBondContact O-ND2 3.43Å; Q93-N98 VanDerWaalsContact O-ND2 3.08Å
94	D	57.8	Low	72.2	Confident	82 Å²	82	79.1 Å²	79.1	44%	0.439	39%	0.391	S	S	.	.			trans	4	109.6	179.6	-168.6	-1.5	0	0	0	116.1	K96 I97 N98	D94-K96 VanDerWaalsContact CG-CB 3.47Å; D94-K96 PolarHBondContact O-N 3.1Å; D94-K96 WeakPolarHBondContact OD1-CB 3.46Å; D94-K96 PolarHBondContact OD1-N 2.96Å; D94-K96 WeakPolarHBondContact OD2-CB 3.46Å; D94-I97 HydrophobicContact CB-CD1 4.14Å; D94-I97 HydrophobicContact CB-CG1 4.16Å; D94-I97 WeakPolarHBondContact O-CB 3.48Å; D94-I97 PolarHBondContact O-N 3.23Å; D94-N98 PolarHBondContact O-N 2.91Å
95	L	60.4	Low	72.6	Confident	80 Å²	80	78.4 Å²	78.4	42%	0.419	39%	0.385	S	S	.	.	H	α-helix	trans	-51.6	-24.6	175.7	-162.7	72.9	0	0	0	112.8	R99	L95-R99 WeakPolarHBondContact O-CB 3.28Å; L95-R99 WeakPolarHBondContact O-CG 3.46Å; L95-R99 PolarHBondContact O-N 2.81Å
96	K	64.2	Low	72.7	Confident	127 Å²	127	79.6 Å²	79.6	55%	0.552	39%	0.387	S	S	*	.	H	α-helix	trans	-65.2	-39.8	172.9	-173.2	-176	174.8	-171.8	0	113.4	D94 R99 Q100	D94-K96 VanDerWaalsContact CG-CB 3.47Å; D94-K96 PolarHBondContact O-N 3.1Å; D94-K96 WeakPolarHBondContact OD1-CB 3.46Å; D94-K96 PolarHBondContact OD1-N 2.96Å; D94-K96 WeakPolarHBondContact OD2-CB 3.46Å; K96-R99 PolarHBondContact O-N 3.37Å; K96-Q100 WeakPolarHBondContact O-CB 3.4Å; K96-Q100 VanDerWaalsContact O-CG 3.26Å; K96-Q100 WeakPolarHBondContact O-CG 3.43Å; K96-Q100 PolarHBondContact O-N 2.9Å
97	I	71.9	Confident	72.9	Confident	55 Å²	55	82.1 Å²	82.1	28%	0.282	40%	0.396	S	S	.	.	H	α-helix	trans	-65.6	-45.7	176	-62.8	174.8	0	0	0	108.8	Q93 D94 R99 Q100 L101	Q93-I97 HydrophobicContact CG-CD1 4.34Å; D94-I97 HydrophobicContact CB-CD1 4.14Å; D94-I97 HydrophobicContact CB-CG1 4.16Å; D94-I97 WeakPolarHBondContact O-CB 3.48Å; D94-I97 PolarHBondContact O-N 3.23Å; I97-R99 PolarHBondContact O-N 2.96Å; I97-Q100 WeakPolarHBondContact O-CB 3.44Å; I97-Q100 PolarHBondContact O-N 3.17Å; I97-Q100 VanDerWaalsContact O-N 3.12Å; I97-L101 HydrophobicContact CG2-CD1 4.03Å; I97-L101 WeakPolarHBondContact O-CG 3.49Å; I97-L101 PolarHBondContact O-N 3.24Å
98	N	75.9	Confident	73.2	Confident	12 Å²	12	73.1 Å²	73.1	6%	0.064	36%	0.362	C	S	.	.	H	α-helix	trans	-61	-44.8	176.8	-61.5	-28.7	0	0	0	111.5	P60 C62 Q93 D94 Q100 L101 D102	P60-N98 WeakPolarHBondContact CG-O 3.33Å; P60-N98 VanDerWaalsContact O-CB 3.25Å; P60-N98 WeakPolarHBondContact O-CB 3.4Å; P60-N98 PolarHBondContact O-OD1 3.13Å; C62-N98 PolarHBondContact N-OD1 2.93Å; Q93-N98 PolarHBondContact O-ND2 3.43Å; Q93-N98 VanDerWaalsContact O-ND2 3.08Å; D94-N98 PolarHBondContact O-N 2.91Å; N98-Q100 VanDerWaalsContact C-N 3.34Å; N98-Q100 PolarHBondContact O-N 2.87Å; N98-L101 PolarHBondContact O-N 3.04Å; N98-D102 PolarHBondContact O-N 3.25Å
99	R	75.8	Confident	73.6	Confident	100 Å²	100	73.4 Å²	73.4	38%	0.377	37%	0.366	S	S	.	.	H	α-helix	trans	-61.8	-35.8	172.1	-75.1	168.3	174	-176.4	-1	113.2	L95 K96 I97 S103 D574 D576	L95-R99 WeakPolarHBondContact O-CB 3.28Å; L95-R99 WeakPolarHBondContact O-CG 3.46Å; L95-R99 PolarHBondContact O-N 2.81Å; K96-R99 PolarHBondContact O-N 3.37Å; I97-R99 PolarHBondContact O-N 2.96Å; R99-S103 WeakPolarHBondContact O-CB 3.32Å; R99-S103 PolarHBondContact O-N 3.14Å; R99-S103 PolarHBondContact O-OG 3.44Å; R99-D574 PolarHBondContact NH2-O 2.91Å; R99-D576 IonicContact CZ-OD1 3.7Å; R99-D576 IonicContact NH1-OD1 2.73Å; R99-D576 PolarHBondContact NH1-OD1 3.22Å; R99-D576 IonicContact NH2-OD1 3.53Å
100	Q	80.1	Confident	74.3	Confident	109 Å²	109	74.7 Å²	74.7	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-70.2	-43	176.5	-79.7	177.3	-38.3	0	0	111.6	K96 I97 N98 S103 M104	K96-Q100 WeakPolarHBondContact O-CB 3.4Å; K96-Q100 VanDerWaalsContact O-CG 3.26Å; K96-Q100 WeakPolarHBondContact O-CG 3.43Å; K96-Q100 PolarHBondContact O-N 2.9Å; I97-Q100 WeakPolarHBondContact O-CB 3.44Å; I97-Q100 PolarHBondContact O-N 3.17Å; I97-Q100 VanDerWaalsContact O-N 3.12Å; N98-Q100 VanDerWaalsContact C-N 3.34Å; N98-Q100 PolarHBondContact O-N 2.87Å; Q100-S103 WeakPolarHBondContact O-CB 3.39Å; Q100-S103 PolarHBondContact O-N 2.73Å; Q100-M104 WeakPolarHBondContact O-CG 3.3Å; Q100-M104 PolarHBondContact O-N 3.14Å
101	L	81.4	Confident	75.2	Confident	20 Å²	20	78.1 Å²	78.1	11%	0.105	38%	0.38	C	S	.	.	H	α-helix	trans	-61.4	-44.9	173.9	-71.6	165.9	0	0	0	111.2	L48 P60 C62 I69 I97 N98 S103 M104 I105	L48-L101 HydrophobicContact CD2-CD2 3.87Å; P60-L101 HydrophobicContact CB-CB 3.83Å; P60-L101 HydrophobicContact CB-CD1 4.19Å; P60-L101 HydrophobicContact CG-CB 3.58Å; C62-L101 VanDerWaalsContact SG-CD1 3.5Å; I69-L101 HydrophobicContact CD1-CD1 4.12Å; I69-L101 HydrophobicContact CD1-CD2 4.25Å; I69-L101 HydrophobicContact CG2-CD1 3.9Å; I97-L101 HydrophobicContact CG2-CD1 4.03Å; I97-L101 WeakPolarHBondContact O-CG 3.49Å; I97-L101 PolarHBondContact O-N 3.24Å; N98-L101 PolarHBondContact O-N 3.04Å; L101-S103 VanDerWaalsContact C-N 3.33Å; L101-S103 PolarHBondContact O-N 3.22Å; L101-M104 WeakPolarHBondContact O-CB 3.45Å; L101-M104 PolarHBondContact O-N 3.18Å; L101-M104 VanDerWaalsContact O-N 3.11Å; L101-I105 VanDerWaalsContact O-CD1 3.3Å; L101-I105 WeakPolarHBondContact O-CD1 3.5Å; L101-I105 VanDerWaalsContact O-CG1 3.23Å; L101-I105 WeakPolarHBondContact O-CG1 3.46Å; L101-I105 PolarHBondContact O-N 3.37Å
102	D	79.6	Confident	76	Confident	49 Å²	49	72.7 Å²	72.7	26%	0.262	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-43.1	175.7	-167.3	78.8	0	0	0	111.6	P60 N98 M104 I105 Q106	P60-D102 HydrophobicContact CG-CB 4.08Å; N98-D102 PolarHBondContact O-N 3.25Å; D102-M104 VanDerWaalsContact C-N 3.28Å; D102-M104 PolarHBondContact O-N 3.27Å; D102-I105 PolarHBondContact O-N 2.78Å; D102-Q106 WeakPolarHBondContact O-CB 3.27Å; D102-Q106 WeakPolarHBondContact O-CG 3.32Å; D102-Q106 PolarHBondContact O-N 3.22Å; D102-Q106 PolarHBondContact OD2-NE2 3.24Å
103	S	83.6	Confident	77	Confident	73 Å²	73	72.9 Å²	72.9	51%	0.51	36%	0.361	S	S	.	.	H	α-helix	trans	-59.3	-37.4	173.6	-59.2	0	0	0	0	112.6	R99 Q100 L101 L107	R99-S103 WeakPolarHBondContact O-CB 3.32Å; R99-S103 PolarHBondContact O-N 3.14Å; R99-S103 PolarHBondContact O-OG 3.44Å; Q100-S103 WeakPolarHBondContact O-CB 3.39Å; Q100-S103 PolarHBondContact O-N 2.73Å; L101-S103 VanDerWaalsContact C-N 3.33Å; L101-S103 PolarHBondContact O-N 3.22Å; S103-L107 WeakPolarHBondContact O-CB 3.47Å; S103-L107 PolarHBondContact O-N 2.84Å
104	M	83.5	Confident	78	Confident	83 Å²	83	73.5 Å²	73.5	41%	0.409	37%	0.367	S	S	.	.	H	α-helix	trans	-70.7	-40.8	175.2	-73	172.8	62	0	0	112.2	L44 L48 Q100 L101 D102 L107 C108	L44-M104 HydrophobicContact CD1-CE 4.03Å; L48-M104 HydrophobicContact CD1-CB 4.35Å; L48-M104 HydrophobicContact CD2-CE 4.45Å; Q100-M104 WeakPolarHBondContact O-CG 3.3Å; Q100-M104 PolarHBondContact O-N 3.14Å; L101-M104 WeakPolarHBondContact O-CB 3.45Å; L101-M104 PolarHBondContact O-N 3.18Å; L101-M104 VanDerWaalsContact O-N 3.11Å; D102-M104 VanDerWaalsContact C-N 3.28Å; D102-M104 PolarHBondContact O-N 3.27Å; M104-L107 WeakPolarHBondContact O-CB 3.41Å; M104-L107 PolarHBondContact O-N 2.67Å; M104-L107 VanDerWaalsContact O-N 3.13Å; M104-C108 PolarHBondContact O-N 2.72Å; M104-C108 PolarHBondContact O-SG 2.79Å
105	I	84.8	Confident	78.8	Confident	22 Å²	22	70.3 Å²	70.3	11%	0.113	35%	0.35	C	S	.	.	H	α-helix	trans	-64	-43.3	176.3	-65.3	153.7	0	0	0	110.2	L48 I56 L57 P60 L101 D102 L107 C108 S109	L48-I105 HydrophobicContact CB-CG1 4.46Å; L48-I105 HydrophobicContact CD1-CG1 4.16Å; L48-I105 HydrophobicContact CD2-CG1 4.35Å; I56-I105 HydrophobicContact CG2-CG2 4.16Å; L57-I105 HydrophobicContact CB-CD1 3.49Å; L57-I105 VanDerWaalsContact CB-CD1 3.49Å; L57-I105 HydrophobicContact CB-CG1 4.4Å; L57-I105 HydrophobicContact CD1-CD1 4.45Å; P60-I105 HydrophobicContact CB-CD1 4.27Å; P60-I105 HydrophobicContact CG-CD1 3.87Å; L101-I105 VanDerWaalsContact O-CD1 3.3Å; L101-I105 WeakPolarHBondContact O-CD1 3.5Å; L101-I105 VanDerWaalsContact O-CG1 3.23Å; L101-I105 WeakPolarHBondContact O-CG1 3.46Å; L101-I105 PolarHBondContact O-N 3.37Å; D102-I105 PolarHBondContact O-N 2.78Å; I105-L107 VanDerWaalsContact C-N 3.28Å; I105-L107 PolarHBondContact O-N 3.14Å; I105-C108 PolarHBondContact O-N 3.01Å; I105-S109 PolarHBondContact O-N 3.43Å; I105-S109 PolarHBondContact O-OG 3.36Å
106	Q	82.1	Confident	79.1	Confident	89 Å²	89	71.3 Å²	71.3	42%	0.416	35%	0.352	S	S	.	.	H	α-helix	trans	-64.2	-28.3	172.3	-71.6	-169.9	39.3	0	0	113.6	D102 S109 K110	D102-Q106 WeakPolarHBondContact O-CB 3.27Å; D102-Q106 WeakPolarHBondContact O-CG 3.32Å; D102-Q106 PolarHBondContact O-N 3.22Å; D102-Q106 PolarHBondContact OD2-NE2 3.24Å; Q106-S109 PolarHBondContact O-OG 3.36Å; Q106-K110 WeakPolarHBondContact O-CD 3.17Å; Q106-K110 WeakPolarHBondContact O-CE 3.36Å; Q106-K110 VanDerWaalsContact O-CG 3.23Å; Q106-K110 WeakPolarHBondContact O-CG 3.49Å; Q106-K110 PolarHBondContact O-N 3.22Å
107	L	83.8	Confident	78.7	Confident	99 Å²	99	70.2 Å²	70.2	52%	0.518	35%	0.352	S	S	.	.	H	α-helix	trans	-74.2	-44.4	172.9	-166.8	85	0	0	0	110.5	S103 M104 I105 S109 K110 L111	S103-L107 WeakPolarHBondContact O-CB 3.47Å; S103-L107 PolarHBondContact O-N 2.84Å; M104-L107 WeakPolarHBondContact O-CB 3.41Å; M104-L107 PolarHBondContact O-N 2.67Å; M104-L107 VanDerWaalsContact O-N 3.13Å; I105-L107 VanDerWaalsContact C-N 3.28Å; I105-L107 PolarHBondContact O-N 3.14Å; L107-S109 PolarHBondContact O-N 3.12Å; L107-K110 PolarHBondContact O-N 2.91Å; L107-L111 HydrophobicContact CD2-CD1 4.07Å; L107-L111 HydrophobicContact CG-CD1 4.01Å; L107-L111 HydrophobicContact CG-CG 4.49Å; L107-L111 WeakPolarHBondContact O-CB 3.39Å; L107-L111 WeakPolarHBondContact O-CG 3.31Å; L107-L111 PolarHBondContact O-N 3.37Å
108	C	83.4	Confident	77.8	Confident	5 Å²	5	70 Å²	70	3%	0.034	35%	0.352	C	S	.	.	H	α-helix	trans	-61.2	-44.2	179.6	-66	0	0	0	0	111.7	L41 L44 E45 M104 I105 K110 L111 R112	L41-C108 HydrophobicContact CD1-CB 3.97Å; L44-C108 WeakPolarHBondContact CD2-SG 3.41Å; E45-C108 HydrophobicContact CG-CB 4.43Å; M104-C108 PolarHBondContact O-N 2.72Å; M104-C108 PolarHBondContact O-SG 2.79Å; I105-C108 PolarHBondContact O-N 3.01Å; C108-K110 PolarHBondContact O-N 3.26Å; C108-L111 PolarHBondContact O-N 3.06Å; C108-R112 VanDerWaalsContact O-CB 3.32Å; C108-R112 WeakPolarHBondContact O-CB 3.27Å; C108-R112 PolarHBondContact O-N 3.38Å
109	S	82.4	Confident	76.6	Confident	56 Å²	56	73.2 Å²	73.2	39%	0.392	37%	0.366	S	S	.	.	H	α-helix	trans	-64.5	-39.1	177	59.9	0	0	0	0	112.9	I105 Q106 L107 R112 N113	I105-S109 PolarHBondContact O-N 3.43Å; I105-S109 PolarHBondContact O-OG 3.36Å; Q106-S109 PolarHBondContact O-OG 3.36Å; L107-S109 PolarHBondContact O-N 3.12Å; S109-R112 PolarHBondContact O-N 3.09Å; S109-N113 VanDerWaalsContact O-CG 3.26Å; S109-N113 PolarHBondContact O-N 3.44Å; S109-N113 VanDerWaalsContact O-N 3.09Å; S109-N113 PolarHBondContact O-OD1 3.36Å
110	K	82	Confident	75.2	Confident	118 Å²	118	74.7 Å²	74.7	51%	0.513	38%	0.381	S	S	.	.	H	α-helix	trans	-65.3	-43.3	174.1	-70.1	165.5	-165.2	155.6	0	111.8	Q106 L107 C108 L114	Q106-K110 WeakPolarHBondContact O-CD 3.17Å; Q106-K110 WeakPolarHBondContact O-CE 3.36Å; Q106-K110 VanDerWaalsContact O-CG 3.23Å; Q106-K110 WeakPolarHBondContact O-CG 3.49Å; Q106-K110 PolarHBondContact O-N 3.22Å; L107-K110 PolarHBondContact O-N 2.91Å; C108-K110 PolarHBondContact O-N 3.26Å; K110-L114 VanDerWaalsContact O-CG 3.31Å; K110-L114 WeakPolarHBondContact O-CG 3.39Å; K110-L114 PolarHBondContact O-N 3.41Å; K110-L114 VanDerWaalsContact O-N 3.15Å
111	L	81.4	Confident	73.6	Confident	73 Å²	73	72.7 Å²	72.7	38%	0.382	38%	0.379	S	S	.	.	H	α-helix	trans	-65.4	-39.1	175.3	-72.6	169.8	0	0	0	112.1	L41 L107 C108 L114 L115	L41-L111 HydrophobicContact CD1-CB 4.42Å; L41-L111 HydrophobicContact CD2-CB 4.41Å; L107-L111 HydrophobicContact CD2-CD1 4.07Å; L107-L111 HydrophobicContact CG-CD1 4.01Å; L107-L111 HydrophobicContact CG-CG 4.49Å; L107-L111 WeakPolarHBondContact O-CB 3.39Å; L107-L111 WeakPolarHBondContact O-CG 3.31Å; L107-L111 PolarHBondContact O-N 3.37Å; C108-L111 PolarHBondContact O-N 3.06Å; L111-L114 PolarHBondContact O-N 2.8Å; L111-L115 WeakPolarHBondContact O-CB 3.41Å; L111-L115 VanDerWaalsContact O-CG 3.26Å; L111-L115 WeakPolarHBondContact O-CG 3.4Å; L111-L115 PolarHBondContact O-N 3.22Å
112	R	83.1	Confident	71.8	Confident	88 Å²	88	76.3 Å²	76.3	33%	0.332	40%	0.399	S	S	.	.	H	α-helix	trans	-58.3	-53	175.8	-173.2	-168.7	-75.7	-162.8	-11.9	110.5	L41 E45 C108 S109 L114 L115 H116	L41-R112 HydrophobicContact CD2-CB 3.95Å; E45-R112 IonicContact OE1-CZ 3.35Å; E45-R112 IonicContact OE1-NE 2.84Å; E45-R112 PolarHBondContact OE1-NE 2.88Å; E45-R112 IonicContact OE1-NH2 3.07Å; E45-R112 PolarHBondContact OE1-NH2 2.76Å; E45-R112 IonicContact OE2-CZ 3.59Å; E45-R112 IonicContact OE2-NE 3.68Å; E45-R112 IonicContact OE2-NH2 2.7Å; E45-R112 PolarHBondContact OE2-NH2 3.24Å; C108-R112 VanDerWaalsContact O-CB 3.32Å; C108-R112 WeakPolarHBondContact O-CB 3.27Å; C108-R112 PolarHBondContact O-N 3.38Å; S109-R112 PolarHBondContact O-N 3.09Å; R112-L114 PolarHBondContact O-N 3.23Å; R112-L115 PolarHBondContact O-N 3.44Å; R112-L115 VanDerWaalsContact O-N 3.08Å; R112-H116 WeakPolarHBondContact CG-CE1 2.89Å; R112-H116 PolarHBondContact O-N 2.89Å; R112-H116 PolarHBondContact O-ND1 3.22Å
113	N	80.9	Confident	70.2	Confident	97 Å²	97	81 Å²	81	52%	0.519	42%	0.423	S	S	.	.	H	α-helix	trans	-57.2	-51.8	179.8	-65.7	4.5	0	0	0	110.9	S109 L115 H116 D117	S109-N113 VanDerWaalsContact O-CG 3.26Å; S109-N113 PolarHBondContact O-N 3.44Å; S109-N113 VanDerWaalsContact O-N 3.09Å; S109-N113 PolarHBondContact O-OD1 3.36Å; N113-L115 PolarHBondContact O-N 3.33Å; N113-H116 PolarHBondContact O-N 3.24Å; N113-D117 VanDerWaalsContact O-CG 3.26Å; N113-D117 PolarHBondContact O-N 3.43Å
114	L	78.9	Confident	68.1	Low	107 Å²	107	86 Å²	86	56%	0.56	44%	0.436	S	S	*	.	H	α-helix	trans	-58.8	-22.3	177.5	-70.7	170.8	0	0	0	114.4	K110 L111 R112 N118	K110-L114 VanDerWaalsContact O-CG 3.31Å; K110-L114 WeakPolarHBondContact O-CG 3.39Å; K110-L114 PolarHBondContact O-N 3.41Å; K110-L114 VanDerWaalsContact O-N 3.15Å; L111-L114 PolarHBondContact O-N 2.8Å; R112-L114 PolarHBondContact O-N 3.23Å; L114-N118 PolarHBondContact O-ND2 3.01Å
115	L	75	Confident	66.2	Low	15 Å²	15	91.4 Å²	91.4	8%	0.079	46%	0.46	C	S	.	.	H	α-helix	trans	-91.8	-26	175.6	-70.9	175.5	0	0	0	113.2	W34 R38 L41 L111 R112 N113	W34-L115 HydrophobicContact CB-CD2 3.68Å; W34-L115 HydrophobicContact CD2-CD2 3.88Å; W34-L115 HydrophobicContact CE3-CD2 3.96Å; W34-L115 HydrophobicContact CG-CD2 3.78Å; R38-L115 HydrophobicContact CG-CB 4.36Å; R38-L115 HydrophobicContact CG-CD1 4.12Å; L41-L115 HydrophobicContact CD2-CD1 4.04Å; L111-L115 WeakPolarHBondContact O-CB 3.41Å; L111-L115 VanDerWaalsContact O-CG 3.26Å; L111-L115 WeakPolarHBondContact O-CG 3.4Å; L111-L115 PolarHBondContact O-N 3.22Å; R112-L115 PolarHBondContact O-N 3.44Å; R112-L115 VanDerWaalsContact O-N 3.08Å; N113-L115 PolarHBondContact O-N 3.33Å
116	H	66.5	Low	63.8	Low	101 Å²	101	97.4 Å²	97.4	47%	0.468	49%	0.492	S	S	.	.	H	α-helix	trans	-80.1	-34.5	173.7	-71.4	49.2	0	0	0	111.5	R112 N113 N118 E119	R112-H116 WeakPolarHBondContact CG-CE1 2.89Å; R112-H116 PolarHBondContact O-N 2.89Å; R112-H116 PolarHBondContact O-ND1 3.22Å; N113-H116 PolarHBondContact O-N 3.24Å; H116-N118 PolarHBondContact O-N 2.93Å; H116-E119 PolarHBondContact O-N 3.13Å
117	D	56.6	Low	61.2	Low	103 Å²	103	102.2 Å²	102.2	55%	0.551	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-32.2	175.1	-68.3	-33.3	0	0	0	111.8	N113	N113-D117 VanDerWaalsContact O-CG 3.26Å; N113-D117 PolarHBondContact O-N 3.43Å
118	N	53.4	Low	59.3	Low	52 Å²	52	102.8 Å²	102.8	28%	0.278	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79	-19.1	176.5	-66.2	-39.8	0	0	0	113.8	L114 H116 L120 S121 D122	L114-N118 PolarHBondContact O-ND2 3.01Å; H116-N118 PolarHBondContact O-N 2.93Å; N118-L120 PolarHBondContact O-N 3.47Å; N118-S121 WeakPolarHBondContact CA-OG 3.35Å; N118-S121 PolarHBondContact O-N 3.29Å; N118-S121 PolarHBondContact O-OG 2.94Å; N118-D122 PolarHBondContact O-N 3.26Å; N118-D122 VanDerWaalsContact O-N 3.17Å
119	E	49.8	Very low	56.7	Low	78 Å²	78	114.2 Å²	114.2	36%	0.364	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-73.3	-22	177.1	-70.1	178.2	174.1	0	0	111.8	R38 H116 L123	R38-E119 WeakPolarHBondContact CD-OE1 3.26Å; R38-E119 IonicContact CZ-OE1 3.56Å; R38-E119 IonicContact NE-OE1 3.71Å; R38-E119 IonicContact NH1-OE1 2.73Å; R38-E119 PolarHBondContact NH1-OE1 2.93Å; H116-E119 PolarHBondContact O-N 3.13Å; E119-L123 WeakPolarHBondContact O-CD1 3.16Å; E119-L123 WeakPolarHBondContact O-CG 3.35Å
120	L	46.2	Very low	54	Low	132 Å²	132	121.2 Å²	121.2	69%	0.691	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.2	-18.4	171.3	-87	152.6	0	0	0	113.9	N118	N118-L120 PolarHBondContact O-N 3.47Å
121	S	46.7	Very low	51.7	Low	67 Å²	67	120.7 Å²	120.7	47%	0.469	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-86.6	-37.7	171.6	50	0	0	0	0	112.9	N118 L123 K124	N118-S121 WeakPolarHBondContact CA-OG 3.35Å; N118-S121 PolarHBondContact O-N 3.29Å; N118-S121 PolarHBondContact O-OG 2.94Å; S121-L123 PolarHBondContact O-N 3.39Å; S121-L123 VanDerWaalsContact O-N 3.08Å; S121-K124 PolarHBondContact O-N 3.02Å
122	D	44.7	Very low	49.2	Very low	96 Å²	96	123.9 Å²	123.9	51%	0.513	62%	0.615	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.8	-6.5	-176.6	-69.7	2.2	0	0	0	113.6	N118	N118-D122 PolarHBondContact O-N 3.26Å; N118-D122 VanDerWaalsContact O-N 3.17Å
123	L	45.7	Very low	46.5	Very low	148 Å²	148	128.4 Å²	128.4	78%	0.775	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-105	14.4	-178.1	-69.6	173.8	0	0	0	114.6	E119 S121	E119-L123 WeakPolarHBondContact O-CD1 3.16Å; E119-L123 WeakPolarHBondContact O-CG 3.35Å; S121-L123 PolarHBondContact O-N 3.39Å; S121-L123 VanDerWaalsContact O-N 3.08Å
124	K	39.3	Very low	44	Very low	178 Å²	178	130.9 Å²	130.9	77%	0.774	65%	0.651	S	S	*	*			trans	-133.1	44.3	-175	-71.9	-169.3	177.3	179	0	115.7	S121	S121-K124 PolarHBondContact O-N 3.02Å
125	E	44.3	Very low	42	Very low	196 Å²	196	133.4 Å²	133.4	92%	0.916	67%	0.665	S	S	*	*			trans	-117.1	96.5	161	-69.8	-156.7	134.9	0	0	111.4
126	D	33	Very low	39.9	Very low	148 Å²	148	137.7 Å²	137.7	79%	0.791	70%	0.703	S	S	*	*			trans	-154.5	140.6	149.6	-146.8	-20.3	0	0	0	112.7
127	K	29.2	Very low	38.5	Very low	189 Å²	189	136.1 Å²	136.1	82%	0.822	71%	0.714	S	S	*	*			trans	65.9	150	178.8	-64	179.2	-178.5	171.6	0	119.6
128	P	42.4	Very low	37.6	Very low	112 Å²	112	138.7 Å²	138.7	73%	0.727	73%	0.727	S	S	*	*			trans	-132.1	157.6	-152.8	39.3	-20.6	0	0	0	117.8
129	R	29.4	Very low	36.9	Very low	245 Å²	245	145.2 Å²	145.2	93%	0.925	75%	0.753	S	S	*	*			trans	66.6	136.8	169.5	-59	173.6	175.6	173.3	-2	114.7
130	K	25.4	Very low	36.6	Very low	203 Å²	203	150.7 Å²	150.7	88%	0.883	78%	0.776	S	S	*	*			cis	-136.5	164.9	37.8	-76.2	176.3	173.9	174.7	0	114.4
131	S	33.6	Very low	36.6	Very low	107 Å²	107	149.4 Å²	149.4	75%	0.748	77%	0.77	S	S	*	*			trans	-70.8	160.6	176	53.7	0	0	0	0	115
132	L	28.7	Very low	36.3	Very low	140 Å²	140	149.4 Å²	149.4	73%	0.733	77%	0.77	S	S	*	*				-161.7	147.6	120.3	-108	168.2	0	0	0	112.4
133	F	27	Very low	36.3	Very low	183 Å²	183	149.6 Å²	149.6	80%	0.803	77%	0.77	S	S	*	*			trans	74.3	147.2	178.7	-57.6	-72.2	0	0	0	118.2
134	N	28.1	Very low	36.2	Very low	149 Å²	149	149.8 Å²	149.8	80%	0.797	76%	0.764	S	S	*	*			trans	-120.6	158.5	-148.9	-64.2	-3.9	0	0	0	114.9
135	D	37.8	Very low	36.8	Very low	159 Å²	159	146.9 Å²	146.9	85%	0.85	76%	0.755	S	S	*	*			trans	9.9	114.5	156.4	-69.7	-63.6	0	0	0	120.9
136	A	30.7	Very low	37.4	Very low	106 Å²	106	144.4 Å²	144.4	88%	0.876	74%	0.737	S	S	*	*			trans	-140.9	60	158.2	0	0	0	0	0	112.7
137	G	35.7	Very low	37.6	Very low	68 Å²	68	143.4 Å²	143.4	70%	0.701	73%	0.726	S	S	*	*			trans	50.9	88.5	151.4	0	0	0	0	0	120.3	K139	G137-K139 PolarHBondContact O-N 2.98Å
138	N	37.8	Very low	38.7	Very low	157 Å²	157	136.4 Å²	136.4	84%	0.84	70%	0.701	S	S	*	*			trans	-92.9	74.2	174.7	-158.4	-13.4	0	0	0	113.3	K140	N138-K140 PolarHBondContact O-N 2.85Å
139	K	39.3	Very low	38.5	Very low	188 Å²	188	136.6 Å²	136.6	82%	0.817	70%	0.702	S	S	*	*			trans	-81.3	104	177.6	-75	-177	177.8	175.9	0	111.7	G137 N141	G137-K139 PolarHBondContact O-N 2.98Å; K139-N141 PolarHBondContact O-N 2.84Å
140	K	43.8	Very low	38.8	Very low	193 Å²	193	137.1 Å²	137.1	84%	0.839	70%	0.704	S	S	*	*	P	Polyproline II helix	trans	-61.5	120	179.1	-65.3	177.7	179	177.1	0	112.1	N138 S142	N138-K140 PolarHBondContact O-N 2.85Å; K140-S142 PolarHBondContact O-N 3.01Å
141	N	45.2	Very low	40.1	Very low	105 Å²	105	130 Å²	130	56%	0.561	68%	0.68	S	S	*	*	P	Polyproline II helix	trans	-67	123.3	165.6	-69	-49.5	0	0	0	108.9	K139 S159	K139-N141 PolarHBondContact O-N 2.84Å; N141-S159 PolarHBondContact OD1-O 2.94Å
142	S	40.6	Very low	41	Very low	68 Å²	68	133.6 Å²	133.6	48%	0.476	68%	0.682	S	S	.	*	P	Polyproline II helix	trans	-96.3	135.2	175.1	64.8	0	0	0	0	111.1	K140 S159	K140-S142 PolarHBondContact O-N 3.01Å; S142-S159 PolarHBondContact O-N 2.93Å
143	I	45.1	Very low	41.7	Very low	100 Å²	100	133.8 Å²	133.8	51%	0.513	68%	0.677	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-114.6	120.8	170.2	-53.5	-174.4	0	0	0	106.7	M145 Y156 V157 V158	I143-M145 HydrophobicContact CG2-CG 3.88Å; I143-M145 HydrophobicContact CG2-SD 4.39Å; I143-Y156 HydrophobicContact CG2-CD2 4.3Å; I143-V157 WeakPolarHBondContact CA-O 3.4Å; I143-V158 HydrophobicContact CD1-CG2 4.14Å; I143-V158 HydrophobicContact CG1-CG1 4.2Å; I143-V158 HydrophobicContact CG1-CG2 4.03Å; I143-V158 HydrophobicContact CG2-CG2 4.2Å
144	K	42.9	Very low	42.6	Very low	151 Å²	151	128.7 Å²	128.7	66%	0.657	66%	0.661	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-105.2	132.4	170.7	-72	-173.8	177.3	-178	0	108.7	W146 Y156 V157	K144-W146 HydrophobicContact CB-CZ3 4.27Å; K144-Y156 CarbonylContact O-C 3.57Å; K144-Y156 WeakPolarHBondContact O-CA 3.31Å; K144-V157 PolarHBondContact N-O 3.29Å; K144-V157 VanDerWaalsContact N-O 3.16Å; K144-V157 PolarHBondContact O-N 3.07Å
145	M	53.8	Low	43.5	Very low	118 Å²	118	129.8 Å²	129.8	58%	0.581	65%	0.654	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.5	143.3	-178.1	-52.7	-169.8	68.3	0	0	109.7	I143 V154 R155 Y156	I143-M145 HydrophobicContact CG2-CG 3.88Å; I143-M145 HydrophobicContact CG2-SD 4.39Å; M145-V154 HydrophobicContact CE-CG1 3.71Å; M145-R155 WeakPolarHBondContact CA-O 3.35Å; M145-Y156 HydrophobicContact CE-CG 4.49Å
146	W	55.7	Low	44.1	Very low	143 Å²	143	129.5 Å²	129.5	54%	0.542	64%	0.642	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-149.7	156.8	170.8	59.1	101	0	0	0	112	K144 R155 V157	K144-W146 HydrophobicContact CB-CZ3 4.27Å; W146-R155 PolarHBondContact N-O 2.91Å; W146-R155 PolarHBondContact O-N 3.45Å; W146-V157 HydrophobicContact CH2-CG2 4.09Å; W146-V157 HydrophobicContact CZ3-CG2 4.47Å
147	F	37.1	Very low	44.5	Very low	128 Å²	128	128.4 Å²	128.4	56%	0.561	62%	0.624	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.7	142.6	-178.3	-145.1	-83.2	0	0	0	110.2	V154	F147-V154 HydrophobicContact CD2-CG2 3.61Å; F147-V154 HydrophobicContact CE2-CG2 3.5Å
148	S	52.8	Low	44.8	Very low	42 Å²	42	128 Å²	128	29%	0.294	61%	0.608	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110	103.4	174.1	173.3	0	0	0	0	109.9	R150 S151 K152 K153	S148-R150 VanDerWaalsContact C-N 3.31Å; S148-R150 PolarHBondContact O-N 3.26Å; S148-S151 WeakPolarHBondContact CB-OG 3.47Å; S148-S151 PolarHBondContact O-N 3.24Å; S148-S151 PolarHBondContact OG-OG 2.82Å; S148-K152 PolarHBondContact O-N 3.24Å; S148-K153 PolarHBondContact N-O 2.72Å; S148-K153 VanDerWaalsContact N-O 3.16Å
149	P	37.2	Very low	44.8	Very low	115 Å²	115	124.1 Å²	124.1	75%	0.747	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.9	-41.8	-175.5	-27.6	35.6	0	0	0	113.3	S151	P149-S151 VanDerWaalsContact C-N 3.25Å; P149-S151 PolarHBondContact O-N 2.99Å
150	R	35.5	Very low	44.9	Very low	256 Å²	256	123.4 Å²	123.4	97%	0.966	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	-17.1	178	-79.8	-172.9	172.2	-177.6	-2.6	114.9	S148	S148-R150 VanDerWaalsContact C-N 3.31Å; S148-R150 PolarHBondContact O-N 3.26Å
151	S	53.2	Low	44.6	Very low	54 Å²	54	118.4 Å²	118.4	38%	0.378	59%	0.585	S	S	.	*	T	Hydrogen-bonded Turn	trans	-123.8	-2.3	-176.4	68.7	0	0	0	0	115.3	S148 P149 K153	S148-S151 WeakPolarHBondContact CB-OG 3.47Å; S148-S151 PolarHBondContact O-N 3.24Å; S148-S151 PolarHBondContact OG-OG 2.82Å; P149-S151 VanDerWaalsContact C-N 3.25Å; P149-S151 PolarHBondContact O-N 2.99Å; S151-K153 PolarHBondContact O-N 3.14Å
152	K	53.1	Low	44.1	Very low	182 Å²	182	118.9 Å²	118.9	79%	0.791	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	51.3	25.5	-178.3	-59.5	-176.8	-179.1	176.7	0	114.5	S148	S148-K152 PolarHBondContact O-N 3.24Å
153	K	43.9	Very low	43.7	Very low	144 Å²	144	122.2 Å²	122.2	63%	0.626	61%	0.613	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.5	137.7	180	-73.8	173.5	-176.2	178.8	0	111.1	S148 S151	S148-K153 PolarHBondContact N-O 2.72Å; S148-K153 VanDerWaalsContact N-O 3.16Å; S151-K153 PolarHBondContact O-N 3.14Å
154	V	44.8	Very low	43.1	Very low	76 Å²	76	126.4 Å²	126.4	46%	0.461	63%	0.631	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.6	140	164.9	-175.1	0	0	0	0	108.4	M145 F147	M145-V154 HydrophobicContact CE-CG1 3.71Å; F147-V154 HydrophobicContact CD2-CG2 3.61Å; F147-V154 HydrophobicContact CE2-CG2 3.5Å
155	R	47.9	Very low	42.4	Very low	172 Å²	172	125.8 Å²	125.8	65%	0.649	64%	0.639	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-120.1	149.5	162.5	-64.8	-169.9	-173.4	-131.9	7	109.5	M145 W146	M145-R155 WeakPolarHBondContact CA-O 3.35Å; W146-R155 PolarHBondContact N-O 2.91Å; W146-R155 PolarHBondContact O-N 3.45Å
156	Y	49.2	Very low	41.1	Very low	154 Å²	154	129.4 Å²	129.4	60%	0.604	66%	0.655	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-142.9	156	174.2	72.2	-84.3	0	0	0	111.8	I143 K144 M145 V158	I143-Y156 HydrophobicContact CG2-CD2 4.3Å; K144-Y156 CarbonylContact O-C 3.57Å; K144-Y156 WeakPolarHBondContact O-CA 3.31Å; M145-Y156 HydrophobicContact CE-CG 4.49Å; Y156-V158 HydrophobicContact CD2-CG2 3.66Å; Y156-V158 HydrophobicContact CE2-CG2 3.66Å
157	V	39.3	Very low	40.2	Very low	83 Å²	83	128 Å²	128	50%	0.503	67%	0.665	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-129.2	136.6	172.7	-179.3	0	0	0	0	108.2	I143 K144 W146	I143-V157 WeakPolarHBondContact CA-O 3.4Å; K144-V157 PolarHBondContact N-O 3.29Å; K144-V157 VanDerWaalsContact N-O 3.16Å; K144-V157 PolarHBondContact O-N 3.07Å; W146-V157 HydrophobicContact CH2-CG2 4.09Å; W146-V157 HydrophobicContact CZ3-CG2 4.47Å
158	V	43.7	Very low	39.7	Very low	59 Å²	59	126.8 Å²	126.8	36%	0.358	68%	0.678	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-120.2	116.8	176.1	-174.1	0	0	0	0	108.7	I143 Y156 K160	I143-V158 HydrophobicContact CD1-CG2 4.14Å; I143-V158 HydrophobicContact CG1-CG1 4.2Å; I143-V158 HydrophobicContact CG1-CG2 4.03Å; I143-V158 HydrophobicContact CG2-CG2 4.2Å; Y156-V158 HydrophobicContact CD2-CG2 3.66Å; Y156-V158 HydrophobicContact CE2-CG2 3.66Å; V158-K160 HydrophobicContact CG1-CG 4.2Å
159	S	37.6	Very low	38.5	Very low	75 Å²	75	131.4 Å²	131.4	52%	0.524	70%	0.698	S	S	.	*			trans	-89.5	120.4	169.6	-59.1	0	0	0	0	109.3	N141 S142	N141-S159 PolarHBondContact OD1-O 2.94Å; S142-S159 PolarHBondContact O-N 2.93Å
160	K	40.8	Very low	38	Very low	174 Å²	174	134.7 Å²	134.7	76%	0.757	70%	0.7	S	S	*	*			trans	-115	133.2	170	-72.9	-173.2	175.7	-175.8	0	109.7	V158	V158-K160 HydrophobicContact CG1-CG 4.2Å
161	A	38.3	Very low	37.6	Very low	88 Å²	88	130.4 Å²	130.4	73%	0.727	69%	0.689	S	S	*	*			trans	-85	136.9	164.6	0	0	0	0	0	109.7
162	S	34.3	Very low	36.2	Very low	115 Å²	115	133.9 Å²	133.9	80%	0.804	70%	0.703	S	S	*	*			trans	-95.1	145.8	175.8	48.3	0	0	0	0	111.4
163	V	30.6	Very low	34.9	Very low	138 Å²	138	130.4 Å²	130.4	84%	0.836	71%	0.708	S	S	*	*			trans	-124.1	135.4	166.5	178.6	0	0	0	0	107.5
164	Q	34.1	Very low	34	Very low	188 Å²	188	129.3 Å²	129.3	88%	0.879	72%	0.718	S	S	*	*			trans	-105.2	142.9	172.1	-66.5	179.1	-11	0	0	109.5
165	T	28.4	Very low	33.1	Very low	137 Å²	137	130.4 Å²	130.4	84%	0.84	74%	0.736	S	S	*	*			trans	-143.3	142.3	160.9	32.6	0	0	0	0	109.6
166	Q	25.8	Very low	32.1	Very low	194 Å²	194	129.8 Å²	129.8	91%	0.907	74%	0.74	S	S	*	*			trans	-110	165.2	171.6	-94.1	-163.6	9.2	0	0	110.3
167	P	37.3	Very low	30.9	Very low	115 Å²	115	129.4 Å²	129.4	75%	0.747	74%	0.744	S	S	*	*			trans	-93.6	167.4	-153.3	36.6	-37.7	0	0	0	115.7
168	A	26	Very low	30.1	Very low	101 Å²	101	133 Å²	133	84%	0.835	76%	0.761	S	S	*	*			trans	-121.3	163.6	165.2	0	0	0	0	0	110.9
169	I	27.7	Very low	29.1	Very low	140 Å²	140	133.5 Å²	133.5	72%	0.718	77%	0.766	S	S	*	*			trans	-142.3	151.4	-163	-78.4	172.6	0	0	0	110.7
170	K	27.5	Very low	28.4	Very low	183 Å²	183	139 Å²	139	80%	0.796	78%	0.777	S	S	*	*			trans	81.9	147.4	179.5	-64.8	143	178.4	-177.6	0	114.8
171	K	25.2	Very low	27.6	Very low	167 Å²	167	137.8 Å²	137.8	73%	0.726	77%	0.774	S	S	*	*			cis	-158.9	162.2	-5.7	-123.2	178.7	168.4	-106	0	113.6
172	D	25.3	Very low	26.8	Very low	127 Å²	127	143.3 Å²	143.3	68%	0.679	78%	0.782	S	S	*	*			trans	-0.1	132.8	156.2	-34	-31.3	0	0	0	121.3
173	A	26.3	Very low	26.3	Very low	108 Å²	108	142.4 Å²	142.4	89%	0.893	77%	0.772	S	S	*	*			trans	-167.4	160.7	134.1	0	0	0	0	0	110.6
174	S	24.8	Very low	26.2	Very low	121 Å²	121	140.6 Å²	140.6	85%	0.846	77%	0.765	S	S	*	*			trans	-134	132.6	-170.9	57.9	0	0	0	0	114.4
175	A	25.3	Very low	26.1	Very low	100 Å²	100	137.8 Å²	137.8	83%	0.826	76%	0.763	S	S	*	*			trans	172.7	163.4	147.5	0	0	0	0	0	109.8
176	Q	26.5	Very low	26.3	Very low	159 Å²	159	136.5 Å²	136.5	74%	0.743	76%	0.76	S	S	*	*			cis	-168.6	120.7	-39.7	174.7	162.3	-3.2	0	0	106.6
177	Q	24.7	Very low	26.7	Very low	145 Å²	145	132.9 Å²	132.9	68%	0.678	75%	0.753	S	S	*	*			trans	49.7	123	144.4	-164.2	169.6	-0.5	0	0	120.9
178	D	22.7	Very low	26.5	Very low	160 Å²	160	133.8 Å²	133.8	86%	0.856	76%	0.759	S	S	*	*			trans	-164.3	162.8	132.1	-114.4	-15.4	0	0	0	115
179	S	21.8	Very low	26.7	Very low	68 Å²	68	133.6 Å²	133.6	48%	0.476	76%	0.757	S	S	.	*			trans	-160.8	172.3	-174.3	50.4	0	0	0	0	109.3
180	Y	23.9	Very low	26.5	Very low	190 Å²	190	134.4 Å²	134.4	75%	0.745	76%	0.763	S	S	*	*			cis	-153.8	-176.6	17.5	-35.1	-119.1	0	0	0	106.9
181	E	24.3	Very low	26.5	Very low	149 Å²	149	131.5 Å²	131.5	70%	0.696	76%	0.761	S	S	*	*			cis	-165.5	175.3	-16.3	-132.8	174.9	-105	0	0	108.2
182	F	20.7	Very low	26.6	Very low	204 Å²	204	128.3 Å²	128.3	90%	0.895	76%	0.759	S	S	*	*			trans	-149.8	153	141.8	-155.8	-102.1	0	0	0	112.8
183	V	23.2	Very low	26.7	Very low	97 Å²	97	129.6 Å²	129.6	59%	0.588	76%	0.761	S	S	*	*			trans	-114	153	-155.6	179.8	0	0	0	0	113.3
184	S	29.7	Very low	26.7	Very low	99 Å²	99	135 Å²	135	69%	0.692	76%	0.758	S	S	*	*			trans	-62.8	179.9	173.3	-45.6	0	0	0	0	113.9
185	P	31.5	Very low	26.8	Very low	129 Å²	129	134 Å²	134	84%	0.838	76%	0.758	S	S	*	*				-146.5	159.2	90.6	38	-22.2	0	0	0	116.3
186	S	32.6	Very low	26.8	Very low	111 Å²	111	138.9 Å²	138.9	78%	0.776	76%	0.76	S	S	*	*			trans	-112.8	159.4	161.7	-48	0	0	0	0	109.8
187	P	34.4	Very low	26.9	Very low	118 Å²	118	141.7 Å²	141.7	77%	0.766	77%	0.77	S	S	*	*			trans	-128.1	-178.7	150.4	43.2	-31.6	0	0	0	110.6
188	P	32.4	Very low	26.9	Very low	133 Å²	133	139.7 Å²	139.7	86%	0.864	78%	0.778	S	S	*	*				-121.9	-171.7	-84.6	33.3	-14.8	0	0	0	112.5
189	A	29.6	Very low	27.2	Very low	98 Å²	98	138 Å²	138	81%	0.81	78%	0.779	S	S	*	*			trans	-128.5	158.3	179.3	0	0	0	0	0	112
190	D	23.7	Very low	27.6	Very low	157 Å²	157	139.1 Å²	139.1	84%	0.84	79%	0.793	S	S	*	*			trans	-162.8	146.7	175.1	-135.3	25.7	0	0	0	108.3
191	V	27.2	Very low	27.8	Very low	122 Å²	122	142.3 Å²	142.3	74%	0.739	80%	0.803	S	S	*	*			cis	-162.7	170.4	-39.1	116	0	0	0	0	108.7
192	S	27.7	Very low	28.1	Very low	100 Å²	100	140.4 Å²	140.4	70%	0.699	81%	0.807	S	S	*	*			trans	80.8	146.7	162.9	-140.1	0	0	0	0	119.2
193	E	28.4	Very low	28.5	Very low	154 Å²	154	134.7 Å²	134.7	72%	0.72	81%	0.805	S	S	*	*			cis	-150	137.6	-31	-118.1	-158.4	130.3	0	0	113.7
194	R	26	Very low	28.8	Very low	221 Å²	221	139.3 Å²	139.3	83%	0.834	82%	0.817	S	S	*	*			trans	24.2	114	135.1	-161.7	-175.2	-150.7	-178.7	5.8	122.6
195	A	25.8	Very low	28.9	Very low	101 Å²	101	144.7 Å²	144.7	84%	0.835	83%	0.828	S	S	*	*			trans	-157.7	160.5	135.5	0	0	0	0	0	111.9
196	K	27.2	Very low	28.9	Very low	202 Å²	202	147.6 Å²	147.6	88%	0.878	83%	0.83	S	S	*	*			trans	-136.7	138.4	-177	-65.5	179.3	178.4	179.7	0	112.9
197	K	26.8	Very low	29	Very low	217 Å²	217	151.9 Å²	151.9	94%	0.943	84%	0.835	S	S	*	*				-169.7	150.7	123.2	-108.4	171.3	-176.4	178.5	0	115.5
198	A	26.2	Very low	29.1	Very low	103 Å²	103	156.4 Å²	156.4	85%	0.851	84%	0.843	S	S	*	*			trans	-48.5	149.7	-173.1	0	0	0	0	0	119.9
199	S	27.9	Very low	29.8	Very low	126 Å²	126	158 Å²	158	88%	0.881	84%	0.836	S	S	*	*				-146.8	158.7	129.6	-171.8	0	0	0	0	109.3
200	A	30.1	Very low	30.8	Very low	91 Å²	91	157.9 Å²	157.9	75%	0.752	83%	0.825	S	S	*	*			trans	-144.3	134.4	-172.4	0	0	0	0	0	113.6
201	R	28.7	Very low	31.7	Very low	256 Å²	256	156.4 Å²	156.4	97%	0.966	82%	0.817	S	S	*	*			trans	-166.4	157.1	144.3	-110.6	163.7	-174.8	-175.2	1.2	111.9
202	S	29.9	Very low	32.5	Very low	110 Å²	110	154.3 Å²	154.3	77%	0.769	81%	0.812	S	S	*	*			trans	-93.8	140.5	-169.4	47.1	0	0	0	0	113.5
203	G	29.3	Very low	33.5	Very low	83 Å²	83	153.8 Å²	153.8	86%	0.856	80%	0.799	S	S	*	*			trans	-78.7	121.9	174.7	0	0	0	0	0	112.5
204	K	29.7	Very low	34.6	Very low	194 Å²	194	150.7 Å²	150.7	84%	0.843	79%	0.786	S	S	*	*			trans	-91.6	112.6	171.5	-74.1	-176.1	176.2	179.4	0	110.8	Q206	K204-Q206 PolarHBondContact O-N 2.91Å
205	K	31.2	Very low	35.6	Very low	212 Å²	212	145.7 Å²	145.7	92%	0.922	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-71.1	121.9	164.9	-69.4	178.1	178	175.6	0	109.2
206	Q	33.3	Very low	36.6	Very low	190 Å²	190	149.3 Å²	149.3	89%	0.888	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-90	143.9	168.8	-75.9	-176.2	-35.9	0	0	111.2	K204	K204-Q206 PolarHBondContact O-N 2.91Å
207	K	34.7	Very low	37.5	Very low	202 Å²	202	148 Å²	148	88%	0.878	77%	0.77	S	S	*	*	P	Polyproline II helix	trans	-82.3	146	178	-68.1	179.7	176.3	179.5	0	110.6
208	K	36.4	Very low	38.2	Very low	213 Å²	213	146.9 Å²	146.9	93%	0.926	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-69.2	141.4	165.4	-72.1	-174.7	174.3	-176.6	0	110
209	K	45.8	Very low	38.8	Very low	165 Å²	165	148.9 Å²	148.9	72%	0.717	76%	0.756	S	S	*	*	P	Polyproline II helix	trans	-90	160.2	172.5	-79.2	172.1	158.5	-88.6	0	111.5	E213	K209-E213 VanDerWaalsContact CD-OE2 3.29Å; K209-E213 WeakPolarHBondContact CD-OE2 3.41Å; K209-E213 WeakPolarHBondContact CE-OE2 3.44Å; K209-E213 VanDerWaalsContact CG-OE2 3.31Å; K209-E213 WeakPolarHBondContact CG-OE2 3.44Å; K209-E213 IonicContact NZ-OE2 2.59Å; K209-E213 PolarHBondContact NZ-OE2 2.73Å
210	T	51.8	Low	39.1	Very low	97 Å²	97	150.5 Å²	150.5	60%	0.595	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-91.7	149.1	-174.6	-9.6	0	0	0	0	112.2	A212 E213	T210-A212 PolarHBondContact O-N 3.04Å; T210-A212 VanDerWaalsContact O-N 3.13Å; T210-E213 PolarHBondContact O-N 2.83Å
211	L	40.9	Very low	39.2	Very low	126 Å²	126	154.9 Å²	154.9	66%	0.66	76%	0.759	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-29.1	-172.4	-164.3	66.8	0	0	0	114.1	E213 I214	L211-E213 VanDerWaalsContact C-N 3.3Å; L211-E213 PolarHBondContact O-N 3.44Å; L211-I214 HydrophobicContact CD1-CD1 4.36Å; L211-I214 WeakPolarHBondContact O-CB 3.28Å; L211-I214 PolarHBondContact O-N 3.43Å; L211-I214 VanDerWaalsContact O-N 3.14Å
212	A	44.6	Very low	39.3	Very low	78 Å²	78	147.3 Å²	147.3	65%	0.645	75%	0.751	S	S	*	*	H	α-helix	trans	-61.6	-33.4	176.4	0	0	0	0	0	113.6	T210 I214	T210-A212 PolarHBondContact O-N 3.04Å; T210-A212 VanDerWaalsContact O-N 3.13Å; A212-I214 PolarHBondContact O-N 2.74Å
213	E	48.7	Very low	39.2	Very low	88 Å²	88	151.6 Å²	151.6	41%	0.411	76%	0.759	S	S	.	*	H	α-helix	trans	-71.8	-12.2	178	-61.1	178.2	-159.3	0	0	113.2	K209 T210 L211	K209-E213 VanDerWaalsContact CD-OE2 3.29Å; K209-E213 WeakPolarHBondContact CD-OE2 3.41Å; K209-E213 WeakPolarHBondContact CE-OE2 3.44Å; K209-E213 VanDerWaalsContact CG-OE2 3.31Å; K209-E213 WeakPolarHBondContact CG-OE2 3.44Å; K209-E213 IonicContact NZ-OE2 2.59Å; K209-E213 PolarHBondContact NZ-OE2 2.73Å; T210-E213 PolarHBondContact O-N 2.83Å; L211-E213 VanDerWaalsContact C-N 3.3Å; L211-E213 PolarHBondContact O-N 3.44Å
214	I	51.8	Low	39.2	Very low	90 Å²	90	156.5 Å²	156.5	46%	0.462	76%	0.757	S	S	.	*	H	α-helix	trans	-89.7	-44.8	-179.8	-62.3	176.7	0	0	0	109.9	L211 A212 Q216 K217	L211-I214 HydrophobicContact CD1-CD1 4.36Å; L211-I214 WeakPolarHBondContact O-CB 3.28Å; L211-I214 PolarHBondContact O-N 3.43Å; L211-I214 VanDerWaalsContact O-N 3.14Å; A212-I214 PolarHBondContact O-N 2.74Å; I214-Q216 VanDerWaalsContact C-N 3.32Å; I214-Q216 PolarHBondContact O-N 2.9Å; I214-K217 WeakPolarHBondContact O-CB 3.13Å; I214-K217 PolarHBondContact O-N 3.31Å
215	N	47.8	Very low	39.1	Very low	116 Å²	116	156.4 Å²	156.4	62%	0.62	76%	0.76	S	S	*	*	H	α-helix	trans	-65.6	-35.3	-177.8	-66.8	12.7	0	0	0	112.1	K217 W218	N215-K217 PolarHBondContact O-N 2.9Å; N215-K217 VanDerWaalsContact O-N 3.1Å; N215-W218 PolarHBondContact O-N 3.47Å
216	Q	46.9	Very low	38.9	Very low	176 Å²	176	153.9 Å²	153.9	82%	0.822	76%	0.756	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.9	-9.5	175.5	-136.2	-178	10.6	0	0	113.9	I214	I214-Q216 VanDerWaalsContact C-N 3.32Å; I214-Q216 PolarHBondContact O-N 2.9Å
217	K	45.2	Very low	38.6	Very low	175 Å²	175	148.8 Å²	148.8	76%	0.761	75%	0.754	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.3	-5.7	178.6	-168.2	174.1	178.1	-175.3	0	113.2	I214 N215	I214-K217 WeakPolarHBondContact O-CB 3.13Å; I214-K217 PolarHBondContact O-N 3.31Å; N215-K217 PolarHBondContact O-N 2.9Å; N215-K217 VanDerWaalsContact O-N 3.1Å
218	W	40.6	Very low	38.1	Very low	194 Å²	194	147.5 Å²	147.5	74%	0.735	75%	0.752	S	S	*	*	S	Bend	trans	-121.1	9.8	-169.1	-85.4	57.1	0	0	0	114.7	N215 L220	N215-W218 PolarHBondContact O-N 3.47Å; W218-L220 PolarHBondContact O-N 3.26Å; W218-L220 VanDerWaalsContact O-N 3.07Å
219	N	39.8	Very low	37.5	Very low	144 Å²	144	146.6 Å²	146.6	77%	0.77	75%	0.748	S	S	*	*			trans	38.5	53.6	161.4	-124.3	70.8	0	0	0	116.7
220	L	34.8	Very low	36.4	Very low	160 Å²	160	145.4 Å²	145.4	84%	0.838	75%	0.75	S	S	*	*			trans	-119.2	91.6	172	-77.2	166.8	0	0	0	108.7	W218	W218-L220 PolarHBondContact O-N 3.26Å; W218-L220 VanDerWaalsContact O-N 3.07Å
221	E	32.1	Very low	35.1	Very low	184 Å²	184	145.1 Å²	145.1	86%	0.86	75%	0.752	S	S	*	*			trans	-77.6	140.4	167.4	-65.4	-177.4	133.4	0	0	108.8
222	A	29.6	Very low	34.4	Very low	97 Å²	97	148.3 Å²	148.3	80%	0.802	76%	0.76	S	S	*	*			trans	-110.4	99.5	-177.3	0	0	0	0	0	108.7
223	E	28.1	Very low	33.5	Very low	199 Å²	199	154 Å²	154	93%	0.93	77%	0.774	S	S	*	*			trans	-67.9	148.9	172.7	-63.5	-159.2	142.2	0	0	111.1
224	K	29.3	Very low	32.3	Very low	187 Å²	187	157.2 Å²	157.2	81%	0.813	79%	0.788	S	S	*	*			trans	-122.3	143.8	163.9	-59.1	177	176.7	-177.7	0	106.6
225	E	28	Very low	31	Very low	192 Å²	192	158.6 Å²	158.6	90%	0.897	81%	0.806	S	S	*	*			trans	-150.4	159.3	133.5	-124.3	166.2	-147.6	0	0	110.3
226	D	26.3	Very low	30.1	Very low	158 Å²	158	161.3 Å²	161.3	85%	0.845	81%	0.812	S	S	*	*			trans	-92	157.7	-158.8	-57.3	-68.3	0	0	0	112.8
227	G	27.1	Very low	29	Very low	83 Å²	83	162 Å²	162	86%	0.856	82%	0.816	S	S	*	*			trans	-168.6	118.5	177.5	0	0	0	0	0	112.4
228	E	25	Very low	28.1	Very low	175 Å²	175	163.3 Å²	163.3	82%	0.818	82%	0.821	S	S	*	*			trans	-111.6	127.9	-174.6	179.8	178.1	-141.8	0	0	110.3
229	F	23.7	Very low	27.2	Very low	194 Å²	194	162.6 Å²	162.6	85%	0.851	83%	0.831	S	S	*	*			trans	177	-171.6	131.9	-111	-89.1	0	0	0	111.3
230	D	22.9	Very low	26.5	Very low	141 Å²	141	161.6 Å²	161.6	75%	0.754	83%	0.829	S	S	*	*			trans	-120	165.6	-135.9	-169.7	25.6	0	0	0	117.2
231	S	24.9	Very low	25.9	Very low	91 Å²	91	159.1 Å²	159.1	64%	0.636	83%	0.826	S	S	*	*			trans	98.6	146.2	153.9	83.4	0	0	0	0	121.2
232	K	25.7	Very low	25.4	Very low	193 Å²	193	160 Å²	160	84%	0.839	83%	0.827	S	S	*	*			trans	75.2	87.4	163.9	-61.6	-175.7	-178.1	177.6	0	119.9
233	E	25.5	Very low	25.1	Very low	198 Å²	198	161.3 Å²	161.3	93%	0.925	83%	0.829	S	S	*	*				22.7	105.3	119.7	-172.7	169.8	-131.7	0	0	118.6
234	E	23.6	Very low	25	Very low	155 Å²	155	157.1 Å²	157.1	72%	0.724	82%	0.822	S	S	*	*			trans	-154.8	139.1	152.9	-150.9	-179.1	-132.9	0	0	112.3	K236	E234-K236 PolarHBondContact O-N 3.09Å; E234-K236 WeakPolarHBondContact OE2-CE 3.19Å
235	S	25.2	Very low	24.8	Very low	118 Å²	118	157 Å²	157	83%	0.825	82%	0.824	S	S	*	*			trans	-93.8	85.9	-167.1	51.3	0	0	0	0	114	Q237	S235-Q237 PolarHBondContact O-N 3.36Å
236	K	27.2	Very low	24.8	Very low	174 Å²	174	153.3 Å²	153.3	76%	0.757	82%	0.817	S	S	*	*			trans	-81.6	117.5	-177.8	-67.8	-179.2	179.8	173.8	0	113.5	E234	E234-K236 PolarHBondContact O-N 3.09Å; E234-K236 WeakPolarHBondContact OE2-CE 3.19Å
237	Q	24.3	Very low	24.7	Very low	191 Å²	191	151.1 Å²	151.1	89%	0.893	81%	0.814	S	S	*	*			trans	-61.2	152.7	166.5	-58.8	176.1	2.3	0	0	110.5	S235	S235-Q237 PolarHBondContact O-N 3.36Å
238	K	25.5	Very low	24.5	Very low	202 Å²	202	153.5 Å²	153.5	88%	0.878	81%	0.811	S	S	*	*			trans	-127.9	109.1	170.7	-90.2	-169.7	172.5	-178	0	112.6
239	L	22.7	Very low	24.5	Very low	178 Å²	178	152.9 Å²	152.9	93%	0.932	81%	0.812	S	S	*	*			trans	-64	145.2	159.9	-158.2	78.6	0	0	0	109.6
240	V	24	Very low	24.4	Very low	123 Å²	123	148.8 Å²	148.8	75%	0.745	81%	0.807	S	S	*	*			trans	-138.1	132.9	167.3	-176.9	0	0	0	0	108.2
241	S	23	Very low	24.4	Very low	109 Å²	109	147.1 Å²	147.1	76%	0.762	81%	0.807	S	S	*	*			trans	-83.5	159.8	-176.8	52.2	0	0	0	0	113
242	F	21.9	Very low	24.6	Very low	201 Å²	201	148.9 Å²	148.9	88%	0.882	82%	0.816	S	S	*	*			trans	-108.5	135.6	165.5	-75.4	-86.4	0	0	0	109.7
243	C	23.9	Very low	24.5	Very low	125 Å²	125	147.8 Å²	147.8	85%	0.845	81%	0.814	S	S	*	*			trans	-91.5	131	178.1	-171.8	0	0	0	0	110.2
244	S	25.4	Very low	24.6	Very low	112 Å²	112	146.5 Å²	146.5	78%	0.783	81%	0.812	S	S	*	*			trans	-104.2	147.7	173.7	-62.8	0	0	0	0	110.1
245	Q	25.8	Very low	24.7	Very low	185 Å²	185	146.1 Å²	146.1	86%	0.864	82%	0.815	S	S	*	*			trans	-129	154.5	169.7	-84.4	-159	-22.2	0	0	111.8
246	P	27.6	Very low	24.7	Very low	113 Å²	113	144 Å²	144	73%	0.734	81%	0.811	S	S	*	*			trans	-104.2	157.6	-142.5	38	-35.9	0	0	0	114.9
247	S	23.2	Very low	24.6	Very low	113 Å²	113	144.5 Å²	144.5	79%	0.79	82%	0.816	S	S	*	*			trans	-87.9	121.6	161.5	51.2	0	0	0	0	110.4
248	V	23.9	Very low	24.7	Very low	132 Å²	132	141.8 Å²	141.8	80%	0.8	81%	0.807	S	S	*	*			trans	-78.5	135.8	175.7	176.7	0	0	0	0	110.2
249	I	25.1	Very low	24.6	Very low	162 Å²	162	138.5 Å²	138.5	83%	0.831	80%	0.799	S	S	*	*			trans	-118.7	129.3	161.7	-64.2	179.4	0	0	0	107.8
250	S	21.6	Very low	24.8	Very low	108 Å²	108	137 Å²	137	76%	0.755	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-98.9	126.2	179	53.7	0	0	0	0	111.3
251	S	23.4	Very low	24.9	Very low	106 Å²	106	139 Å²	139	74%	0.741	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-102.8	142	164.7	46.9	0	0	0	0	110.5
252	P	28.4	Very low	25.1	Very low	129 Å²	129	137.5 Å²	137.5	84%	0.838	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-77.2	157.9	177.8	32.5	-35.1	0	0	0	112.1
253	Q	23.8	Very low	25.2	Very low	170 Å²	170	133.6 Å²	133.6	79%	0.794	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-94.9	144.6	-177.6	-60.9	149.8	-73.3	0	0	111.7
254	I	26.2	Very low	25.3	Very low	171 Å²	171	131.3 Å²	131.3	88%	0.877	79%	0.785	S	S	*	*			trans	-134.6	131	152.6	-60.9	-177.5	0	0	0	106.5
255	N	25.6	Very low	25.2	Very low	147 Å²	147	131.2 Å²	131.2	79%	0.786	79%	0.785	S	S	*	*			trans	-105.5	150.4	177.6	-65.8	-5.5	0	0	0	110
256	G	27	Very low	25.1	Very low	72 Å²	72	129.5 Å²	129.5	74%	0.742	78%	0.781	S	S	*	*			trans	140.6	81.1	167.2	0	0	0	0	0	115.7
257	E	24.7	Very low	25.1	Very low	186 Å²	186	130.7 Å²	130.7	87%	0.869	79%	0.787	S	S	*	*				15.7	139.2	109.6	-112.7	175.4	163.9	0	0	116.8
258	I	25.9	Very low	25.2	Very low	134 Å²	134	134 Å²	134	69%	0.687	79%	0.79	S	S	*	*			cis	-157.2	158.1	42.3	-62.6	175.8	0	0	0	111.3
259	D	24.1	Very low	25.3	Very low	133 Å²	133	133.7 Å²	133.7	71%	0.711	79%	0.793	S	S	*	*			trans	56.5	118.4	157.9	-70.5	-20.8	0	0	0	125.8
260	L	27	Very low	25.3	Very low	145 Å²	145	133.8 Å²	133.8	76%	0.759	79%	0.79	S	S	*	*				23.7	125.7	114.6	-64.1	162.7	0	0	0	120.3
261	L	26.2	Very low	25.4	Very low	165 Å²	165	134.5 Å²	134.5	86%	0.864	79%	0.793	S	S	*	*				179.3	143.4	101.1	-95.3	175.7	0	0	0	115.3
262	A	25.4	Very low	25.5	Very low	79 Å²	79	138.7 Å²	138.7	65%	0.653	80%	0.799	S	S	*	*			trans	50.3	121.8	140.6	0	0	0	0	0	124.7
263	S	26	Very low	25.3	Very low	119 Å²	119	136.1 Å²	136.1	83%	0.832	80%	0.796	S	S	*	*				86.5	133.3	120.7	71.7	0	0	0	0	123.4
264	G	24.6	Very low	25.5	Very low	76 Å²	76	133.5 Å²	133.5	78%	0.784	80%	0.796	S	S	*	*			trans	84.5	154.8	153.1	0	0	0	0	0	117.3
265	S	24.7	Very low	25.4	Very low	111 Å²	111	132.2 Å²	132.2	78%	0.776	79%	0.79	S	S	*	*			cis	-162.3	165.9	-20	-162.1	0	0	0	0	110.2
266	L	23.1	Very low	25.5	Very low	148 Å²	148	132.3 Å²	132.3	78%	0.775	80%	0.797	S	S	*	*			trans	-20.6	143.2	163.6	-55.1	168.6	0	0	0	115.1
267	T	27.2	Very low	25.5	Very low	139 Å²	139	136.8 Å²	136.8	85%	0.853	80%	0.798	S	S	*	*				-157	152.6	67	35.1	0	0	0	0	115.4
268	E	25.4	Very low	25.4	Very low	183 Å²	183	133.8 Å²	133.8	86%	0.855	79%	0.792	S	S	*	*			trans	-90.9	167.4	167.4	-61.9	169.6	123.5	0	0	111.4
269	S	26.4	Very low	25.4	Very low	124 Å²	124	132.9 Å²	132.9	87%	0.867	80%	0.798	S	S	*	*			trans	-139.3	121.5	157.4	58.3	0	0	0	0	110.6
270	E	25.2	Very low	25.4	Very low	164 Å²	164	134.2 Å²	134.2	77%	0.766	80%	0.804	S	S	*	*			trans	-83.4	156.7	-171.7	-52.8	168.4	104.5	0	0	112.9
271	C	23.9	Very low	25.8	Very low	123 Å²	123	132.6 Å²	132.6	83%	0.831	80%	0.802	S	S	*	*				-171.2	135	117	-97.4	0	0	0	0	114.8
272	F	24.2	Very low	25.6	Very low	195 Å²	195	132.4 Å²	132.4	86%	0.855	80%	0.801	S	S	*	*			trans	-16.7	152.8	153.1	-70.4	-103.9	0	0	0	118.1
273	G	25.3	Very low	25.5	Very low	75 Å²	75	132.3 Å²	132.3	77%	0.773	80%	0.801	S	S	*	*			cis	-179.1	-175.4	4.9	0	0	0	0	0	108.8
274	S	26.8	Very low	25.5	Very low	115 Å²	115	134.3 Å²	134.3	80%	0.804	80%	0.797	S	S	*	*			cis	-150.7	142.1	11.2	175.3	0	0	0	0	112.3
275	L	25.6	Very low	25.5	Very low	143 Å²	143	138.8 Å²	138.8	75%	0.749	80%	0.797	S	S	*	*			trans	-17.6	135	159.6	-65.6	155.2	0	0	0	119.8
276	T	27.2	Very low	25.7	Very low	150 Å²	150	141.3 Å²	141.3	92%	0.92	80%	0.8	S	S	*	*				-137.5	134.3	121.2	50.8	0	0	0	0	108.6
277	E	25.9	Very low	25.8	Very low	165 Å²	165	143.6 Å²	143.6	77%	0.771	81%	0.807	S	S	*	*			trans	-138.9	-170.6	-172.6	-150.5	-163.4	-162.3	0	0	110.8
278	V	23.8	Very low	25.7	Very low	124 Å²	124	141.8 Å²	141.8	75%	0.752	80%	0.8	S	S	*	*			trans	77.9	119	172.8	-172.5	0	0	0	0	114.4
279	S	24.8	Very low	26.6	Very low	114 Å²	114	138.2 Å²	138.2	80%	0.797	79%	0.793	S	S	*	*			cis	-153.7	164.8	0.5	-130.2	0	0	0	0	116.3
280	L	23.9	Very low	26.5	Very low	161 Å²	161	139.5 Å²	139.5	84%	0.843	79%	0.79	S	S	*	*			trans	-84.7	-172.2	172.6	-76.6	167.3	0	0	0	110.8
281	P	35.9	Very low	27	Very low	112 Å²	112	138.2 Å²	138.2	73%	0.727	79%	0.793	S	S	*	*			cis	-136.4	-165.8	15.8	44.9	-23.6	0	0	0	114.1
282	L	22.9	Very low	27.3	Very low	160 Å²	160	141 Å²	141	84%	0.838	79%	0.791	S	S	*	*			cis	-148.5	173.3	13.9	-168.7	54.2	0	0	0	112.2
283	A	23.6	Very low	27.8	Very low	78 Å²	78	137.4 Å²	137.4	65%	0.645	79%	0.791	S	S	*	*			trans	-57.8	178.7	-179.2	0	0	0	0	0	115.3
284	E	24.9	Very low	28.1	Very low	161 Å²	161	142 Å²	142	75%	0.752	79%	0.785	S	S	*	*			cis	-164.1	-176.5	25.7	-153.5	175.7	-130.6	0	0	113.4
285	Q	25.6	Very low	28.5	Very low	169 Å²	169	144.4 Å²	144.4	79%	0.79	79%	0.789	S	S	*	*			trans	89.2	113.2	157.8	-71.8	164.3	38	0	0	118.7
286	I	28.7	Very low	28.9	Very low	164 Å²	164	143.3 Å²	143.3	84%	0.841	78%	0.78	S	S	*	*			trans	-83.6	132.8	169.3	-63.5	158.5	0	0	0	107.6
287	E	23.7	Very low	29.5	Very low	196 Å²	196	140.1 Å²	140.1	92%	0.916	76%	0.76	S	S	*	*			trans	-143.4	133.3	152.2	-129	175.1	-139.9	0	0	111.8
288	S	25.4	Very low	30.3	Very low	102 Å²	102	135.2 Å²	135.2	71%	0.713	74%	0.741	S	S	*	*			trans	-141	160	166.8	71.7	0	0	0	0	106.2
289	P	44	Very low	30.8	Very low	107 Å²	107	134.3 Å²	134.3	70%	0.695	74%	0.736	S	S	*	*			cis	-127.9	-171.9	9	42.2	-27.8	0	0	0	112.7
290	D	24.6	Very low	31.8	Very low	151 Å²	151	130 Å²	130	81%	0.807	71%	0.705	S	S	*	*				-161.7	124.5	115.7	-132.6	-4.6	0	0	0	113.3	K292	D290-K292 PolarHBondContact O-N 3.2Å
291	T	36.4	Very low	32.5	Very low	137 Å²	137	131.2 Å²	131.2	84%	0.84	71%	0.707	S	S	*	*			trans	-85.1	95.8	177.8	50.8	0	0	0	0	110.8
292	K	30	Very low	33	Very low	181 Å²	181	134.6 Å²	134.6	79%	0.787	71%	0.71	S	S	*	*			trans	-101.6	105.6	177.2	-155.3	166.3	-163.9	161.8	0	111.2	D290 R294	D290-K292 PolarHBondContact O-N 3.2Å; K292-R294 PolarHBondContact O-N 2.77Å
293	S	34	Very low	34.6	Very low	121 Å²	121	128.2 Å²	128.2	85%	0.846	68%	0.682	S	S	*	*			trans	-62.4	110.9	172.3	45.9	0	0	0	0	109.9
294	R	33.2	Very low	37.1	Very low	171 Å²	171	128.3 Å²	128.3	65%	0.645	67%	0.672	S	S	*	*			trans	-130.4	100.2	-175.4	-141.5	177.4	171.2	-153	-10.2	109.6	K292 E296	K292-R294 PolarHBondContact O-N 2.77Å; R294-E296 HydrophobicContact CB-CG 3.99Å; R294-E296 HydrophobicContact CG-CG 3.55Å; R294-E296 VanDerWaalsContact CZ-CD 3.45Å; R294-E296 IonicContact CZ-OE1 3.7Å; R294-E296 IonicContact CZ-OE2 3.88Å; R294-E296 IonicContact NE-OE1 2.9Å; R294-E296 PolarHBondContact NE-OE1 2.81Å; R294-E296 VanDerWaalsContact NH1-CD 3.27Å; R294-E296 IonicContact NH1-OE1 2.7Å; R294-E296 PolarHBondContact NH1-OE1 2.67Å; R294-E296 IonicContact NH1-OE2 3.74Å; R294-E296 PolarHBondContact NH1-OE2 3.33Å; R294-E296 IonicContact NH2-OE1 2.69Å; R294-E296 PolarHBondContact NH2-OE1 2.81Å; R294-E296 PolarHBondContact O-N 2.73Å
295	N	35.1	Very low	39.8	Very low	166 Å²	166	123.5 Å²	123.5	89%	0.888	65%	0.651	S	S	*	*			trans	-71	77.8	162.4	-65.1	5.1	0	0	0	107.1	V297	N295-V297 PolarHBondContact O-N 3.44Å
296	E	33	Very low	42.7	Very low	119 Å²	119	119.7 Å²	119.7	56%	0.556	64%	0.641	S	S	*	*			trans	-75.1	112.5	174.9	-70	-168.9	100.7	0	0	109.3	R294 V298	R294-E296 HydrophobicContact CB-CG 3.99Å; R294-E296 HydrophobicContact CG-CG 3.55Å; R294-E296 VanDerWaalsContact CZ-CD 3.45Å; R294-E296 IonicContact CZ-OE1 3.7Å; R294-E296 IonicContact CZ-OE2 3.88Å; R294-E296 IonicContact NE-OE1 2.9Å; R294-E296 PolarHBondContact NE-OE1 2.81Å; R294-E296 VanDerWaalsContact NH1-CD 3.27Å; R294-E296 IonicContact NH1-OE1 2.7Å; R294-E296 PolarHBondContact NH1-OE1 2.67Å; R294-E296 IonicContact NH1-OE2 3.74Å; R294-E296 PolarHBondContact NH1-OE2 3.33Å; R294-E296 IonicContact NH2-OE1 2.69Å; R294-E296 PolarHBondContact NH2-OE1 2.81Å; R294-E296 PolarHBondContact O-N 2.73Å; E296-V298 PolarHBondContact O-N 3.04Å
297	V	40.7	Very low	45.4	Very low	84 Å²	84	114.6 Å²	114.6	51%	0.509	62%	0.62	S	S	.	*			trans	-64.9	118.5	163.1	177.3	0	0	0	0	106.7	N295 T299 D322	N295-V297 PolarHBondContact O-N 3.44Å; V297-T299 HydrophobicContact CG1-CG2 4.5Å; V297-T299 PolarHBondContact O-N 2.57Å; V297-D322 HydrophobicContact CG1-CB 4.41Å
298	V	42.6	Very low	48.4	Very low	61 Å²	61	106 Å²	106	37%	0.37	58%	0.58	S	S	.	*			trans	-67.5	116.6	174.9	-175.8	0	0	0	0	108.2	E296 P300 L311	E296-V298 PolarHBondContact O-N 3.04Å; V298-P300 HydrophobicContact CG1-CB 4.46Å; V298-P300 VanDerWaalsContact O-CD 3.28Å; V298-P300 WeakPolarHBondContact O-CD 3.08Å; V298-L311 HydrophobicContact CG2-CD1 3.59Å
299	T	34.3	Very low	51.4	Low	106 Å²	106	104.8 Å²	104.8	65%	0.65	56%	0.564	S	S	*	*			trans	-109.1	86.7	172.4	53.9	0	0	0	0	109.1	V297 E301	V297-T299 HydrophobicContact CG1-CG2 4.5Å; V297-T299 PolarHBondContact O-N 2.57Å; T299-E301 VanDerWaalsContact C-N 3.32Å; T299-E301 PolarHBondContact O-N 3.18Å
300	P	44.8	Very low	53.5	Low	22 Å²	22	106.7 Å²	106.7	14%	0.143	56%	0.558	C	S	.	*			trans	-82.6	72.7	-173.6	36.3	-35.7	0	0	0	111	V298 K302 E331	V298-P300 HydrophobicContact CG1-CB 4.46Å; V298-P300 VanDerWaalsContact O-CD 3.28Å; V298-P300 WeakPolarHBondContact O-CD 3.08Å; P300-K302 CarbonylContact C-O 3.41Å; P300-K302 CarbonylContact O-C 3.34Å; P300-K302 PolarHBondContact O-N 3.14Å; P300-E331 HydrophobicContact CG-CG 4.05Å
301	E	39.5	Very low	56.6	Low	188 Å²	188	102.4 Å²	102.4	88%	0.879	54%	0.535	S	S	*	.	S	Bend	trans	-56.9	-13.7	170.5	-66.3	-169.7	156.3	0	0	112.7	T299	T299-E301 VanDerWaalsContact C-N 3.32Å; T299-E301 PolarHBondContact O-N 3.18Å
302	K	46.9	Very low	59.1	Low	182 Å²	182	96.5 Å²	96.5	79%	0.791	50%	0.498	S	S	*	.	S	Bend	trans	-134.9	136.7	155.6	-58.9	175.7	-172.7	170.1	0	107.7	P300 D304	P300-K302 CarbonylContact C-O 3.41Å; P300-K302 CarbonylContact O-C 3.34Å; P300-K302 PolarHBondContact O-N 3.14Å; K302-D304 VanDerWaalsContact C-N 3.28Å; K302-D304 PolarHBondContact O-N 3.38Å
303	G	56.3	Low	61.8	Low	26 Å²	26	93.7 Å²	93.7	27%	0.268	49%	0.488	S	S	.	.			trans	-67	76.4	176.9	0	0	0	0	0	114	I305 H337	G303-I305 VanDerWaalsContact C-N 3.33Å; G303-I305 PolarHBondContact O-N 3.16Å; G303-H337 WeakPolarHBondContact CA-CD2 3.25Å; G303-H337 PolarHBondContact N-NE2 3.18Å; G303-H337 VanDerWaalsContact N-NE2 3.16Å
304	D	74.9	Confident	64.3	Low	80 Å²	80	93 Å²	93	43%	0.428	47%	0.474	S	S	.	.			trans	-73.7	84.2	175.2	-174.8	8.5	0	0	0	110.9	K302 P306 S307 V308	K302-D304 VanDerWaalsContact C-N 3.28Å; K302-D304 PolarHBondContact O-N 3.38Å; D304-P306 WeakPolarHBondContact OD1-CD 3.26Å; D304-S307 PolarHBondContact O-N 3.31Å; D304-S307 VanDerWaalsContact O-N 3.16Å; D304-S307 WeakPolarHBondContact OD2-CB 3.47Å; D304-S307 PolarHBondContact OD2-OG 3.47Å; D304-V308 PolarHBondContact O-N 3.46Å
305	I	83.1	Confident	66.5	Low	61 Å²	61	88 Å²	88	31%	0.313	48%	0.476	S	S	.	.	H	α-helix	trans	-53.1	-49.2	-177	-69.4	154.2	0	0	0	112.2	G303 S307 V308 E309 K339 V340 L343	G303-I305 VanDerWaalsContact C-N 3.33Å; G303-I305 PolarHBondContact O-N 3.16Å; I305-S307 PolarHBondContact O-N 3.21Å; I305-V308 PolarHBondContact O-N 3.49Å; I305-E309 WeakPolarHBondContact O-CB 3.32Å; I305-E309 PolarHBondContact O-N 3.03Å; I305-K339 HydrophobicContact CD1-CB 3.86Å; I305-K339 HydrophobicContact CD1-CG 3.9Å; I305-K339 HydrophobicContact CG1-CB 4.38Å; I305-K339 HydrophobicContact CG1-CG 4.31Å; I305-K339 HydrophobicContact CG2-CG 4.32Å; I305-V340 HydrophobicContact CG1-CG2 3.89Å; I305-L343 HydrophobicContact CG2-CD1 3.84Å
306	P	85.2	Confident	69	Low	88 Å²	88	82.7 Å²	82.7	57%	0.571	45%	0.452	S	S	*	.	H	α-helix	trans	-53.5	-45.1	173.6	-29.3	35	0	0	0	114.7	D304 E309 Y310	D304-P306 WeakPolarHBondContact OD1-CD 3.26Å; P306-E309 PolarHBondContact O-N 2.92Å; P306-Y310 VanDerWaalsContact O-CB 3.31Å; P306-Y310 WeakPolarHBondContact O-CB 3.48Å; P306-Y310 PolarHBondContact O-N 3Å
307	S	85.3	Confident	71.4	Confident	57 Å²	57	81.4 Å²	81.4	40%	0.399	45%	0.449	S	S	.	.	H	α-helix	trans	-68.1	-39.1	179.8	-69.9	0	0	0	0	112.3	D304 I305 L311	D304-S307 PolarHBondContact O-N 3.31Å; D304-S307 VanDerWaalsContact O-N 3.16Å; D304-S307 WeakPolarHBondContact OD2-CB 3.47Å; D304-S307 PolarHBondContact OD2-OG 3.47Å; I305-S307 PolarHBondContact O-N 3.21Å; S307-L311 WeakPolarHBondContact O-CB 3.45Å; S307-L311 VanDerWaalsContact O-CG 3.26Å; S307-L311 WeakPolarHBondContact O-CG 3.24Å; S307-L311 PolarHBondContact O-N 3.03Å
308	V	87.3	Confident	73.7	Confident	15 Å²	15	77.9 Å²	77.9	9%	0.091	43%	0.428	C	S	.	.	H	α-helix	trans	-64.9	-46.5	174.5	175	0	0	0	0	110.9	D304 I305 L311 L312 V340	D304-V308 PolarHBondContact O-N 3.46Å; I305-V308 PolarHBondContact O-N 3.49Å; V308-L311 PolarHBondContact O-N 2.97Å; V308-L312 HydrophobicContact CG1-CD1 3.7Å; V308-L312 HydrophobicContact CG1-CG 4.25Å; V308-L312 WeakPolarHBondContact O-CB 3.23Å; V308-L312 VanDerWaalsContact O-CG 3.25Å; V308-L312 WeakPolarHBondContact O-CG 3.44Å; V308-L312 PolarHBondContact O-N 2.82Å; V308-V340 HydrophobicContact CG1-CG1 4.27Å; V308-V340 HydrophobicContact CG2-CG1 4.46Å
309	E	88.3	Confident	75.9	Confident	77 Å²	77	76.7 Å²	76.7	36%	0.36	42%	0.419	S	S	.	.	H	α-helix	trans	-59.5	-47.8	177.8	178.4	165.6	-155.2	0	0	111.5	I305 P306 L311 L312 Q313 L343	I305-E309 WeakPolarHBondContact O-CB 3.32Å; I305-E309 PolarHBondContact O-N 3.03Å; P306-E309 PolarHBondContact O-N 2.92Å; E309-L311 PolarHBondContact O-N 3.33Å; E309-L312 PolarHBondContact O-N 3.44Å; E309-Q313 HydrophobicContact CG-CG 4.35Å; E309-Q313 VanDerWaalsContact CG-NE2 3.26Å; E309-Q313 WeakPolarHBondContact O-CB 3.49Å; E309-Q313 VanDerWaalsContact O-CG 3.29Å; E309-Q313 WeakPolarHBondContact O-CG 3.22Å; E309-Q313 PolarHBondContact O-N 2.92Å; E309-Q313 PolarHBondContact OE1-NE2 3.36Å; E309-Q313 VanDerWaalsContact OE1-NE2 3.16Å; E309-L343 HydrophobicContact CB-CD1 4.17Å
310	Y	88.5	Confident	78.3	Confident	148 Å²	148	75.1 Å²	75.1	58%	0.58	41%	0.41	S	S	*	.	H	α-helix	trans	-58.1	-44.7	176.4	177.9	-97.1	0	0	0	112.6	P306 Q313 N314	P306-Y310 VanDerWaalsContact O-CB 3.31Å; P306-Y310 WeakPolarHBondContact O-CB 3.48Å; P306-Y310 PolarHBondContact O-N 3Å; Y310-Q313 PolarHBondContact O-N 3.43Å; Y310-N314 VanDerWaalsContact CE2-ND2 3.31Å; Y310-N314 WeakPolarHBondContact CE2-ND2 3.29Å; Y310-N314 VanDerWaalsContact CZ-ND2 3.31Å; Y310-N314 WeakPolarHBondContact O-CB 3.42Å; Y310-N314 PolarHBondContact O-N 3.13Å; Y310-N314 PolarHBondContact O-ND2 3.37Å
311	L	89	Confident	80.2	Confident	61 Å²	61	77.1 Å²	77.1	32%	0.319	42%	0.416	S	S	.	.	H	α-helix	trans	-66.4	-38.5	179.2	-73.3	169.4	0	0	0	112.4	V298 S307 V308 E309 N314 G315 S316	V298-L311 HydrophobicContact CG2-CD1 3.59Å; S307-L311 WeakPolarHBondContact O-CB 3.45Å; S307-L311 VanDerWaalsContact O-CG 3.26Å; S307-L311 WeakPolarHBondContact O-CG 3.24Å; S307-L311 PolarHBondContact O-N 3.03Å; V308-L311 PolarHBondContact O-N 2.97Å; E309-L311 PolarHBondContact O-N 3.33Å; L311-N314 PolarHBondContact O-N 3.03Å; L311-G315 PolarHBondContact O-N 3.36Å; L311-S316 WeakPolarHBondContact O-CB 3.41Å; L311-S316 PolarHBondContact O-N 2.91Å; L311-S316 PolarHBondContact O-OG 3.48Å
312	L	89.1	Confident	82.2	Confident	12 Å²	12	71 Å²	71	6%	0.063	39%	0.39	C	S	.	.	H	α-helix	trans	-72.1	-37	177.9	-69.8	174.5	0	0	0	112.5	V308 E309 N314 G315 P318 L343 L344 H347	V308-L312 HydrophobicContact CG1-CD1 3.7Å; V308-L312 HydrophobicContact CG1-CG 4.25Å; V308-L312 WeakPolarHBondContact O-CB 3.23Å; V308-L312 VanDerWaalsContact O-CG 3.25Å; V308-L312 WeakPolarHBondContact O-CG 3.44Å; V308-L312 PolarHBondContact O-N 2.82Å; E309-L312 PolarHBondContact O-N 3.44Å; L312-N314 VanDerWaalsContact C-N 3.33Å; L312-G315 PolarHBondContact O-N 2.68Å; L312-P318 HydrophobicContact CD2-CB 3.92Å; L312-P318 HydrophobicContact CD2-CG 4.37Å; L312-L343 HydrophobicContact CD1-CB 4.32Å; L312-L344 HydrophobicContact CD1-CD2 4.05Å; L312-L344 HydrophobicContact CD2-CD2 4.21Å; L312-H347 HydrophobicContact CB-CB 4.38Å; L312-H347 HydrophobicContact CD1-CB 4.19Å; L312-H347 HydrophobicContact CD2-CB 4.13Å; L312-H347 HydrophobicContact CG-CB 4.48Å; L312-H347 PolarHBondContact O-ND1 3.09Å
313	Q	87.3	Confident	83.6	Confident	123 Å²	123	72.2 Å²	72.2	58%	0.575	40%	0.397	S	S	*	.	H	α-helix	trans	-65.5	-35.9	172.6	-72.4	178.9	10.8	0	0	111.9	E309 Y310 G315	E309-Q313 HydrophobicContact CG-CG 4.35Å; E309-Q313 VanDerWaalsContact CG-NE2 3.26Å; E309-Q313 WeakPolarHBondContact O-CB 3.49Å; E309-Q313 VanDerWaalsContact O-CG 3.29Å; E309-Q313 WeakPolarHBondContact O-CG 3.22Å; E309-Q313 PolarHBondContact O-N 2.92Å; E309-Q313 PolarHBondContact OE1-NE2 3.36Å; E309-Q313 VanDerWaalsContact OE1-NE2 3.16Å; Y310-Q313 PolarHBondContact O-N 3.43Å; Q313-G315 PolarHBondContact O-N 2.82Å
314	N	87	Confident	84.5	Confident	105 Å²	105	73.2 Å²	73.2	56%	0.561	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	11.8	173.7	-75	-75.8	0	0	0	114.3	Y310 L311 L312	Y310-N314 VanDerWaalsContact CE2-ND2 3.31Å; Y310-N314 WeakPolarHBondContact CE2-ND2 3.29Å; Y310-N314 VanDerWaalsContact CZ-ND2 3.31Å; Y310-N314 WeakPolarHBondContact O-CB 3.42Å; Y310-N314 PolarHBondContact O-N 3.13Å; Y310-N314 PolarHBondContact O-ND2 3.37Å; L311-N314 PolarHBondContact O-N 3.03Å; L312-N314 VanDerWaalsContact C-N 3.33Å
315	G	78.6	Confident	84.7	Confident	66 Å²	66	70.3 Å²	70.3	68%	0.68	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.3	19.6	169.6	0	0	0	0	0	115.9	L311 L312 Q313	L311-G315 PolarHBondContact O-N 3.36Å; L312-G315 PolarHBondContact O-N 2.68Å; Q313-G315 PolarHBondContact O-N 2.82Å
316	S	86.6	Confident	84.9	Confident	55 Å²	55	70.4 Å²	70.4	39%	0.385	39%	0.388	S	S	.	.			trans	-64	134.7	170	-57	0	0	0	0	110.8	L311 P318	L311-S316 WeakPolarHBondContact O-CB 3.41Å; L311-S316 PolarHBondContact O-N 2.91Å; L311-S316 PolarHBondContact O-OG 3.48Å; S316-P318 WeakPolarHBondContact O-CD 3.37Å
317	D	84.1	Confident	85.1	Confident	93 Å²	93	66.4 Å²	66.4	50%	0.497	36%	0.362	S	S	.	.			trans	-76.4	116.5	177.6	179.5	8.8	0	0	0	110.8	N319 V320	D317-N319 PolarHBondContact O-N 2.81Å; D317-N319 VanDerWaalsContact OD1-CB 3.25Å; D317-N319 WeakPolarHBondContact OD1-CB 3.45Å; D317-N319 PolarHBondContact OD1-N 3.01Å; D317-N319 PolarHBondContact OD1-ND2 2.94Å; D317-V320 HydrophobicContact CB-CG2 4.15Å; D317-V320 WeakPolarHBondContact O-CG2 3.29Å
318	P	89.3	Confident	85.5	Confident	10 Å²	10	65.6 Å²	65.6	7%	0.065	36%	0.356	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-2.1	178.8	29.5	-35.4	0	0	0	113.9	L312 S316 L344 H347 A349	L312-P318 HydrophobicContact CD2-CB 3.92Å; L312-P318 HydrophobicContact CD2-CG 4.37Å; S316-P318 WeakPolarHBondContact O-CD 3.37Å; P318-L344 HydrophobicContact CB-CD2 3.61Å; P318-H347 WeakPolarHBondContact CG-O 3.46Å; P318-A349 HydrophobicContact CB-CB 4.15Å; P318-A349 HydrophobicContact CG-CB 4.36Å
319	N	88.3	Confident	85.9	Confident	35 Å²	35	64.9 Å²	64.9	19%	0.187	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	4.2	-175	-55	-68.7	0	0	0	114.3	D317 K321 K348 A349 L350	D317-N319 PolarHBondContact O-N 2.81Å; D317-N319 VanDerWaalsContact OD1-CB 3.25Å; D317-N319 WeakPolarHBondContact OD1-CB 3.45Å; D317-N319 PolarHBondContact OD1-N 3.01Å; D317-N319 PolarHBondContact OD1-ND2 2.94Å; N319-K321 PolarHBondContact O-N 3.24Å; N319-K348 PolarHBondContact ND2-O 3.4Å; N319-A349 WeakPolarHBondContact OD1-CA 3.49Å; N319-L350 HydrophobicContact CB-CD1 4.3Å; N319-L350 WeakPolarHBondContact OD1-CB 3.23Å; N319-L350 VanDerWaalsContact OD1-CG 3.27Å; N319-L350 WeakPolarHBondContact OD1-CG 3.41Å; N319-L350 PolarHBondContact OD1-N 2.83Å
320	V	85.6	Confident	86.2	Confident	74 Å²	74	61.2 Å²	61.2	45%	0.448	33%	0.334	S	S	.	.			trans	-57.6	120.9	173.7	175.5	0	0	0	0	109.4	D317 T327 P328	D317-V320 HydrophobicContact CB-CG2 4.15Å; D317-V320 WeakPolarHBondContact O-CG2 3.29Å; V320-T327 WeakPolarHBondContact O-CA 3.43Å; V320-P328 WeakPolarHBondContact O-CD 3.26Å
321	K	84.2	Confident	86.4	Confident	64 Å²	64	56.2 Å²	56.2	28%	0.278	32%	0.316	S	S	.	.			trans	-87.6	136.8	172	-66.9	-174.8	-178.2	-177.9	0	110.1	N319 G325 W326 T327 T353 T354 D537	N319-K321 PolarHBondContact O-N 3.24Å; K321-G325 WeakPolarHBondContact CD-O 3.44Å; K321-G325 WeakPolarHBondContact CG-O 3.2Å; K321-W326 CarbonylContact C-O 3.59Å; K321-W326 WeakPolarHBondContact CA-O 3.49Å; K321-T327 HydrophobicContact CG-CG2 3.65Å; K321-T353 WeakPolarHBondContact CE-OG1 3.12Å; K321-T353 PolarHBondContact NZ-OG1 2.92Å; K321-T353 VanDerWaalsContact NZ-OG1 3.13Å; K321-T354 VanDerWaalsContact CE-O 3.3Å; K321-T354 WeakPolarHBondContact CE-O 3.41Å; K321-T354 PolarHBondContact NZ-O 2.95Å; K321-D537 IonicContact NZ-OD1 2.78Å; K321-D537 PolarHBondContact NZ-OD1 2.88Å; K321-D537 IonicContact NZ-OD2 3.97Å; K321-D537 PolarHBondContact NZ-OD2 3.06Å
322	D	81.9	Confident	86.6	Confident	60 Å²	60	53.4 Å²	53.4	32%	0.321	30%	0.302	S	S	.	.			trans	-77.5	-165.4	176.2	95.6	-53.2	0	0	0	112.3	V297 A324 G325 W326	V297-D322 HydrophobicContact CG1-CB 4.41Å; D322-A324 WeakPolarHBondContact OD1-CA 3.25Å; D322-A324 WeakPolarHBondContact OD1-CB 3.15Å; D322-A324 PolarHBondContact OD1-N 3.44Å; D322-A324 PolarHBondContact OD2-N 3.33Å; D322-G325 PolarHBondContact O-N 3.34Å; D322-G325 PolarHBondContact OD1-N 3.17Å; D322-W326 PolarHBondContact N-O 3.09Å; D322-W326 PolarHBondContact OD1-N 2.77Å
323	H	75.1	Confident	86.9	Confident	206 Å²	206	52.9 Å²	52.9	95%	0.954	30%	0.299	S	S	*	.	S	Bend	trans	-75.7	-19.9	175.3	-63.5	-24.1	0	0	0	114.8
324	A	75.4	Confident	87.2	Confident	48 Å²	48	48.6 Å²	48.6	40%	0.397	28%	0.28	S	S	.	.	S	Bend	trans	-85.9	-17.4	168.9	0	0	0	0	0	113.1	D322 Y356	D322-A324 WeakPolarHBondContact OD1-CA 3.25Å; D322-A324 WeakPolarHBondContact OD1-CB 3.15Å; D322-A324 PolarHBondContact OD1-N 3.44Å; D322-A324 PolarHBondContact OD2-N 3.33Å; A324-Y356 HydrophobicContact CB-CD2 4.31Å; A324-Y356 WeakPolarHBondContact O-CA 3.36Å
325	G	79.3	Confident	87.3	Confident	18 Å²	18	47.9 Å²	47.9	19%	0.186	27%	0.273	C	S	.	.	S	Bend	trans	103.9	-2.9	-177.4	0	0	0	0	0	114	K321 D322 G355	K321-G325 WeakPolarHBondContact CD-O 3.44Å; K321-G325 WeakPolarHBondContact CG-O 3.2Å; D322-G325 PolarHBondContact O-N 3.34Å; D322-G325 PolarHBondContact OD1-N 3.17Å; G325-G355 WeakPolarHBondContact O-CA 3.5Å
326	W	87.1	Confident	88	Confident	63 Å²	63	46 Å²	46	24%	0.239	25%	0.253	C	S	.	.			trans	-72.3	142.8	-180	-82.6	-5.6	0	0	0	112.5	K321 D322 H330 E331 N334 Y356	K321-W326 CarbonylContact C-O 3.59Å; K321-W326 WeakPolarHBondContact CA-O 3.49Å; D322-W326 PolarHBondContact N-O 3.09Å; D322-W326 PolarHBondContact OD1-N 2.77Å; W326-H330 HydrophobicContact CB-CB 4.05Å; W326-H330 AromaticContact CD1-CD2 3.76Å; W326-H330 AromaticContact CD1-CG 3.78Å; W326-H330 HydrophobicContact CD2-CB 4.22Å; W326-H330 HydrophobicContact CG-CB 3.8Å; W326-H330 AromaticContact NE1-CD2 3.98Å; W326-E331 VanDerWaalsContact CE3-OE2 3.24Å; W326-E331 VanDerWaalsContact CZ3-OE2 3.27Å; W326-E331 WeakPolarHBondContact CZ3-OE2 3.4Å; W326-N334 HydrophobicContact CH2-CB 4.39Å; W326-Y356 VanDerWaalsContact CD1-N 3.3Å
327	T	91.1	Very high	88.3	Confident	4 Å²	4	45.8 Å²	45.8	3%	0.025	25%	0.246	C	C	.	.			trans	-100.9	163.5	168.8	60.7	0	0	0	0	109.9	V320 K321 L329 H330 E331 T353	V320-T327 WeakPolarHBondContact O-CA 3.43Å; K321-T327 HydrophobicContact CG-CG2 3.65Å; T327-L329 PolarHBondContact O-N 3.14Å; T327-H330 PolarHBondContact N-ND1 2.9Å; T327-H330 WeakPolarHBondContact O-CB 3.34Å; T327-H330 PolarHBondContact O-N 3.29Å; T327-H330 PolarHBondContact OG1-ND1 3.47Å; T327-E331 PolarHBondContact O-N 3.28Å; T327-T353 HydrophobicContact CG2-CG2 3.85Å
328	P	93.3	Very high	88.7	Confident	40 Å²	40	44.4 Å²	44.4	26%	0.26	24%	0.238	S	C	.	.	H	α-helix	trans	-48.8	-29.6	169.9	-30.7	35.7	0	0	0	114.4	V320 A332 L344	V320-P328 WeakPolarHBondContact O-CD 3.26Å; P328-A332 WeakPolarHBondContact O-CB 2.96Å; P328-A332 PolarHBondContact O-N 2.95Å; P328-L344 HydrophobicContact CB-CD1 3.95Å; P328-L344 HydrophobicContact CB-CD2 3.91Å; P328-L344 WeakPolarHBondContact O-CD1 3.41Å
329	L	94.9	Very high	88.9	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.9	-37.6	175.7	-175.4	62.9	0	0	0	112.7	T327 C333 V341 L344 L345 A349 P361 L377	T327-L329 PolarHBondContact O-N 3.14Å; L329-C333 VanDerWaalsContact O-CB 3.28Å; L329-C333 WeakPolarHBondContact O-CB 3.27Å; L329-C333 PolarHBondContact O-N 3.15Å; L329-C333 PolarHBondContact O-SG 3.47Å; L329-V341 HydrophobicContact CD1-CB 4.45Å; L329-V341 HydrophobicContact CD1-CG1 3.88Å; L329-V341 HydrophobicContact CD1-CG2 4.39Å; L329-L344 HydrophobicContact CB-CD1 4.36Å; L329-L344 HydrophobicContact CD1-CB 4.35Å; L329-L344 HydrophobicContact CD1-CD1 4.48Å; L329-L345 HydrophobicContact CD1-CD2 4.43Å; L329-L345 HydrophobicContact CD1-CG 4.44Å; L329-L345 HydrophobicContact CD2-CD2 4.26Å; L329-A349 HydrophobicContact CB-CB 4.26Å; L329-A349 HydrophobicContact CD2-CB 3.89Å; L329-A349 HydrophobicContact CG-CB 4.49Å; L329-P361 HydrophobicContact CB-CG 4.46Å; L329-P361 HydrophobicContact CD2-CB 4.2Å; L329-P361 HydrophobicContact CD2-CG 3.83Å; L329-P361 HydrophobicContact CG-CB 3.96Å; L329-P361 HydrophobicContact CG-CG 3.86Å; L329-L377 HydrophobicContact CD1-CD2 4.43Å
330	H	94.1	Very high	89.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-63.1	-49.4	172.7	-71.3	82.1	0	0	0	110.5	W326 T327 A332 C333 N334 T353 G355 D359 P361 D364	W326-H330 HydrophobicContact CB-CB 4.05Å; W326-H330 AromaticContact CD1-CD2 3.76Å; W326-H330 AromaticContact CD1-CG 3.78Å; W326-H330 HydrophobicContact CD2-CB 4.22Å; W326-H330 HydrophobicContact CG-CB 3.8Å; W326-H330 AromaticContact NE1-CD2 3.98Å; T327-H330 PolarHBondContact N-ND1 2.9Å; T327-H330 WeakPolarHBondContact O-CB 3.34Å; T327-H330 PolarHBondContact O-N 3.29Å; T327-H330 PolarHBondContact OG1-ND1 3.47Å; H330-A332 PolarHBondContact O-N 3.1Å; H330-C333 PolarHBondContact O-N 2.56Å; H330-C333 VanDerWaalsContact O-N 3.13Å; H330-N334 WeakPolarHBondContact O-CB 3.29Å; H330-N334 PolarHBondContact O-N 2.79Å; H330-T353 PolarHBondContact CE1-O 2.93Å; H330-G355 WeakPolarHBondContact NE2-CA 3.16Å; H330-G355 PolarHBondContact NE2-N 3.33Å; H330-G355 VanDerWaalsContact NE2-N 3.18Å; H330-D359 PolarHBondContact NE2-O 3.25Å; H330-P361 WeakPolarHBondContact NE2-CD 3.43Å; H330-D364 IonicContact CD2-OD2 3.18Å; H330-D364 PolarHBondContact CD2-OD2 3.04Å
331	E	92.5	Very high	89.5	Confident	44 Å²	44	43.6 Å²	43.6	21%	0.206	23%	0.227	C	C	.	.	H	α-helix	trans	-57.5	-46.5	-178.8	-169.6	67.9	-173.2	0	0	112	P300 W326 T327 N334 H335	P300-E331 HydrophobicContact CG-CG 4.05Å; W326-E331 VanDerWaalsContact CE3-OE2 3.24Å; W326-E331 VanDerWaalsContact CZ3-OE2 3.27Å; W326-E331 WeakPolarHBondContact CZ3-OE2 3.4Å; T327-E331 PolarHBondContact O-N 3.28Å; E331-N334 PolarHBondContact O-N 2.69Å; E331-H335 PolarHBondContact O-N 3.4Å; E331-H335 VanDerWaalsContact O-N 3.08Å; E331-H335 PolarHBondContact O-ND1 3.49Å; E331-H335 IonicContact OE1-CE1 3.37Å; E331-H335 PolarHBondContact OE1-CE1 3.04Å; E331-H335 IonicContact OE1-ND1 2.67Å; E331-H335 PolarHBondContact OE1-ND1 2.8Å
332	A	93.8	Very high	89.9	Confident	2 Å²	2	43.1 Å²	43.1	2%	0.017	23%	0.226	C	C	.	.	H	α-helix	trans	-68.4	-33.9	177.5	0	0	0	0	0	113.1	P328 H330 G336 H337 V340 V341 L344	P328-A332 WeakPolarHBondContact O-CB 2.96Å; P328-A332 PolarHBondContact O-N 2.95Å; H330-A332 PolarHBondContact O-N 3.1Å; A332-G336 PolarHBondContact O-N 2.98Å; A332-H337 HydrophobicContact CB-CB 4.23Å; A332-H337 PolarHBondContact O-N 3.42Å; A332-V340 HydrophobicContact CB-CB 4.11Å; A332-V340 HydrophobicContact CB-CG1 3.76Å; A332-V341 HydrophobicContact CB-CG2 3.72Å; A332-L344 HydrophobicContact CB-CD1 4.17Å
333	C	95.5	Very high	90.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-73.9	-33.6	175.3	-69.1	0	0	0	0	112.7	L329 H330 P361 D364 A365 H370 I373	L329-C333 VanDerWaalsContact O-CB 3.28Å; L329-C333 WeakPolarHBondContact O-CB 3.27Å; L329-C333 PolarHBondContact O-N 3.15Å; L329-C333 PolarHBondContact O-SG 3.47Å; H330-C333 PolarHBondContact O-N 2.56Å; H330-C333 VanDerWaalsContact O-N 3.13Å; C333-P361 HydrophobicContact CB-CB 4.25Å; C333-P361 WeakPolarHBondContact CB-O 3.25Å; C333-D364 HydrophobicContact CB-CB 4.43Å; C333-A365 HydrophobicContact CB-CB 4.25Å; C333-H370 PolarHBondContact O-CD2 3.16Å; C333-I373 HydrophobicContact CB-CG2 4.25Å
334	N	93.3	Very high	91.2	Very high	33 Å²	33	31 Å²	31	18%	0.176	17%	0.168	C	C	.	.	H	α-helix	trans	-68.9	-44.8	176.1	-165.8	-83.4	0	0	0	110.8	W326 H330 E331 G336 D364 N368 H370	W326-N334 HydrophobicContact CH2-CB 4.39Å; H330-N334 WeakPolarHBondContact O-CB 3.29Å; H330-N334 PolarHBondContact O-N 2.79Å; E331-N334 PolarHBondContact O-N 2.69Å; N334-G336 PolarHBondContact O-N 3.37Å; N334-D364 HydrophobicContact CB-CB 4.25Å; N334-D364 PolarHBondContact ND2-OD1 3.46Å; N334-N368 PolarHBondContact ND2-ND2 3.04Å; N334-N368 VanDerWaalsContact ND2-ND2 3.17Å; N334-H370 PolarHBondContact O-NE2 2.83Å
335	H	90.6	Very high	92	Very high	91 Å²	91	29 Å²	29	42%	0.421	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	5.2	-178.5	-66.9	97.8	0	0	0	115.8	E331 H337	E331-H335 PolarHBondContact O-N 3.4Å; E331-H335 VanDerWaalsContact O-N 3.08Å; E331-H335 PolarHBondContact O-ND1 3.49Å; E331-H335 IonicContact OE1-CE1 3.37Å; E331-H335 PolarHBondContact OE1-CE1 3.04Å; E331-H335 IonicContact OE1-ND1 2.67Å; E331-H335 PolarHBondContact OE1-ND1 2.8Å; H335-H337 VanDerWaalsContact C-N 3.32Å; H335-H337 PolarHBondContact O-CE1 3.23Å; H335-H337 PolarHBondContact O-N 3.33Å; H335-H337 PolarHBondContact O-ND1 3.37Å
336	G	91.6	Very high	92.5	Very high	25 Å²	25	33.1 Å²	33.1	26%	0.258	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	20.4	175.8	0	0	0	0	0	115	A332 N334 L338 H370 I373	A332-G336 PolarHBondContact O-N 2.98Å; N334-G336 PolarHBondContact O-N 3.37Å; G336-L338 VanDerWaalsContact C-N 3.29Å; G336-L338 PolarHBondContact O-N 3.25Å; G336-H370 WeakPolarHBondContact CA-CE1 3.44Å; G336-H370 WeakPolarHBondContact CA-ND1 3.28Å; G336-H370 WeakPolarHBondContact CA-NE2 3.34Å; G336-H370 PolarHBondContact N-NE2 3.01Å; G336-I373 VanDerWaalsContact C-CD1 3.49Å
337	H	93.4	Very high	92.5	Very high	52 Å²	52	33.4 Å²	33.4	24%	0.241	17%	0.169	C	C	.	.			trans	-83.1	65.7	-172.4	-69.4	10.9	0	0	0	112.1	G303 A332 H335 K339 V340 V341	G303-H337 WeakPolarHBondContact CA-CD2 3.25Å; G303-H337 PolarHBondContact N-NE2 3.18Å; G303-H337 VanDerWaalsContact N-NE2 3.16Å; A332-H337 HydrophobicContact CB-CB 4.23Å; A332-H337 PolarHBondContact O-N 3.42Å; H335-H337 VanDerWaalsContact C-N 3.32Å; H335-H337 PolarHBondContact O-CE1 3.23Å; H335-H337 PolarHBondContact O-N 3.33Å; H335-H337 PolarHBondContact O-ND1 3.37Å; H337-K339 VanDerWaalsContact C-N 3.31Å; H337-K339 PolarHBondContact O-N 2.99Å; H337-K339 VanDerWaalsContact O-N 3.13Å; H337-V340 HydrophobicContact CB-CB 3.99Å; H337-V340 HydrophobicContact CB-CG2 4.07Å; H337-V340 WeakPolarHBondContact O-CA 3.38Å; H337-V340 WeakPolarHBondContact O-CB 3.42Å; H337-V340 PolarHBondContact O-N 3.15Å; H337-V341 PolarHBondContact O-N 2.68Å
338	L	92.9	Very high	92.4	Very high	63 Å²	63	39.6 Å²	39.6	33%	0.33	20%	0.195	S	C	.	.	H	α-helix	trans	-46.7	-46.3	-173.3	179.7	63.9	0	0	0	114.1	G336 V340 V341 E342 D372 I373 L376	G336-L338 VanDerWaalsContact C-N 3.29Å; G336-L338 PolarHBondContact O-N 3.25Å; L338-V340 VanDerWaalsContact C-N 3.32Å; L338-V340 PolarHBondContact O-N 2.87Å; L338-V341 WeakPolarHBondContact O-CB 3.22Å; L338-V341 PolarHBondContact O-N 3.48Å; L338-E342 PolarHBondContact O-N 3.43Å; L338-D372 HydrophobicContact CD2-CB 4.36Å; L338-I373 HydrophobicContact CB-CD1 4.46Å; L338-I373 HydrophobicContact CB-CG1 4.1Å; L338-I373 HydrophobicContact CD1-CG1 3.73Å; L338-L376 HydrophobicContact CD1-CB 4.48Å; L338-L376 HydrophobicContact CD1-CD2 3.71Å
339	K	92.4	Very high	92.2	Very high	95 Å²	95	37.7 Å²	37.7	41%	0.413	18%	0.183	S	C	.	.	H	α-helix	trans	-68.4	-29.7	-179.4	-169.7	68.2	-149.7	169.3	0	113.4	I305 H337 E342 L343	I305-K339 HydrophobicContact CD1-CB 3.86Å; I305-K339 HydrophobicContact CD1-CG 3.9Å; I305-K339 HydrophobicContact CG1-CB 4.38Å; I305-K339 HydrophobicContact CG1-CG 4.31Å; I305-K339 HydrophobicContact CG2-CG 4.32Å; H337-K339 VanDerWaalsContact C-N 3.31Å; H337-K339 PolarHBondContact O-N 2.99Å; H337-K339 VanDerWaalsContact O-N 3.13Å; K339-E342 WeakPolarHBondContact CD-OE2 3.4Å; K339-E342 WeakPolarHBondContact CE-OE2 3.29Å; K339-E342 IonicContact NZ-OE2 3.48Å; K339-E342 PolarHBondContact NZ-OE2 3.08Å; K339-L343 WeakPolarHBondContact O-CG 3.14Å; K339-L343 PolarHBondContact O-N 2.9Å
340	V	93.2	Very high	91.9	Very high	7 Å²	7	39.3 Å²	39.3	4%	0.042	19%	0.191	C	C	.	.	H	α-helix	trans	-72.5	-39.3	172.7	178.3	0	0	0	0	110.1	I305 V308 A332 H337 L338 L343 L344	I305-V340 HydrophobicContact CG1-CG2 3.89Å; V308-V340 HydrophobicContact CG1-CG1 4.27Å; V308-V340 HydrophobicContact CG2-CG1 4.46Å; A332-V340 HydrophobicContact CB-CB 4.11Å; A332-V340 HydrophobicContact CB-CG1 3.76Å; H337-V340 HydrophobicContact CB-CB 3.99Å; H337-V340 HydrophobicContact CB-CG2 4.07Å; H337-V340 WeakPolarHBondContact O-CA 3.38Å; H337-V340 WeakPolarHBondContact O-CB 3.42Å; H337-V340 PolarHBondContact O-N 3.15Å; L338-V340 VanDerWaalsContact C-N 3.32Å; L338-V340 PolarHBondContact O-N 2.87Å; V340-L343 PolarHBondContact O-N 3.34Å; V340-L344 HydrophobicContact CG1-CD1 3.86Å; V340-L344 HydrophobicContact CG1-CG 4.35Å; V340-L344 WeakPolarHBondContact O-CB 3.48Å; V340-L344 VanDerWaalsContact O-CG 3.25Å; V340-L344 WeakPolarHBondContact O-CG 3.41Å; V340-L344 PolarHBondContact O-N 3.42Å
341	V	94.3	Very high	91.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-59.8	-46.5	172.3	176.2	0	0	0	0	111.2	L329 A332 H337 L338 L343 L344 L345 I373 L376 L377	L329-V341 HydrophobicContact CD1-CB 4.45Å; L329-V341 HydrophobicContact CD1-CG1 3.88Å; L329-V341 HydrophobicContact CD1-CG2 4.39Å; A332-V341 HydrophobicContact CB-CG2 3.72Å; H337-V341 PolarHBondContact O-N 2.68Å; L338-V341 WeakPolarHBondContact O-CB 3.22Å; L338-V341 PolarHBondContact O-N 3.48Å; V341-L343 PolarHBondContact O-N 3.22Å; V341-L344 PolarHBondContact O-N 2.84Å; V341-L345 HydrophobicContact CG1-CD1 3.71Å; V341-L345 HydrophobicContact CG1-CG 4.23Å; V341-L345 WeakPolarHBondContact O-CB 3.45Å; V341-L345 VanDerWaalsContact O-CG 3.24Å; V341-L345 WeakPolarHBondContact O-CG 3.39Å; V341-L345 PolarHBondContact O-N 2.72Å; V341-I373 HydrophobicContact CG1-CG2 4.36Å; V341-I373 HydrophobicContact CG2-CD1 4.1Å; V341-I373 HydrophobicContact CG2-CG1 4.49Å; V341-I373 HydrophobicContact CG2-CG2 4.25Å; V341-L376 HydrophobicContact CB-CD2 4.38Å; V341-L376 HydrophobicContact CG1-CD2 3.81Å; V341-L377 HydrophobicContact CG1-CD2 4.39Å
342	E	92.8	Very high	91.6	Very high	55 Å²	55	37.9 Å²	37.9	26%	0.257	19%	0.185	S	C	.	.	H	α-helix	trans	-55	-49.8	174.9	-73.7	177.5	-160.6	0	0	112.5	L338 K339 L345 Q346 L376	L338-E342 PolarHBondContact O-N 3.43Å; K339-E342 WeakPolarHBondContact CD-OE2 3.4Å; K339-E342 WeakPolarHBondContact CE-OE2 3.29Å; K339-E342 IonicContact NZ-OE2 3.48Å; K339-E342 PolarHBondContact NZ-OE2 3.08Å; E342-L345 PolarHBondContact O-N 3.04Å; E342-Q346 WeakPolarHBondContact O-CB 3.49Å; E342-Q346 VanDerWaalsContact O-CG 3.23Å; E342-Q346 WeakPolarHBondContact O-CG 3.35Å; E342-Q346 PolarHBondContact O-N 3.17Å; E342-L376 HydrophobicContact CG-CD2 3.66Å
343	L	91.4	Very high	91.3	Very high	9 Å²	9	37.9 Å²	37.9	5%	0.047	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-43.8	179.9	-75.9	170	0	0	0	112.1	I305 E309 L312 K339 V340 V341 L345 Q346 H347	I305-L343 HydrophobicContact CG2-CD1 3.84Å; E309-L343 HydrophobicContact CB-CD1 4.17Å; L312-L343 HydrophobicContact CD1-CB 4.32Å; K339-L343 WeakPolarHBondContact O-CG 3.14Å; K339-L343 PolarHBondContact O-N 2.9Å; V340-L343 PolarHBondContact O-N 3.34Å; V341-L343 PolarHBondContact O-N 3.22Å; L343-L345 PolarHBondContact O-N 3.44Å; L343-Q346 PolarHBondContact O-N 2.84Å; L343-H347 WeakPolarHBondContact O-CB 3.26Å; L343-H347 PolarHBondContact O-CD2 2.82Å; L343-H347 PolarHBondContact O-N 3.09Å
344	L	93.2	Very high	90.8	Very high	3 Å²	3	38.6 Å²	38.6	2%	0.016	19%	0.19	C	C	.	.	H	α-helix	trans	-62.6	-42.1	177.5	-72	169.1	0	0	0	111.7	L312 P318 P328 L329 A332 V340 V341 H347 K348 A349	L312-L344 HydrophobicContact CD1-CD2 4.05Å; L312-L344 HydrophobicContact CD2-CD2 4.21Å; P318-L344 HydrophobicContact CB-CD2 3.61Å; P328-L344 HydrophobicContact CB-CD1 3.95Å; P328-L344 HydrophobicContact CB-CD2 3.91Å; P328-L344 WeakPolarHBondContact O-CD1 3.41Å; L329-L344 HydrophobicContact CB-CD1 4.36Å; L329-L344 HydrophobicContact CD1-CB 4.35Å; L329-L344 HydrophobicContact CD1-CD1 4.48Å; A332-L344 HydrophobicContact CB-CD1 4.17Å; V340-L344 HydrophobicContact CG1-CD1 3.86Å; V340-L344 HydrophobicContact CG1-CG 4.35Å; V340-L344 WeakPolarHBondContact O-CB 3.48Å; V340-L344 VanDerWaalsContact O-CG 3.25Å; V340-L344 WeakPolarHBondContact O-CG 3.41Å; V340-L344 PolarHBondContact O-N 3.42Å; V341-L344 PolarHBondContact O-N 2.84Å; L344-H347 CarbonylContact O-C 3.56Å; L344-H347 PolarHBondContact O-N 3.21Å; L344-K348 PolarHBondContact O-N 3.48Å; L344-K348 VanDerWaalsContact O-N 3.17Å; L344-A349 HydrophobicContact CB-CB 4Å; L344-A349 WeakPolarHBondContact O-CB 3.14Å; L344-A349 PolarHBondContact O-N 2.79Å
345	L	91.1	Very high	90.4	Very high	4 Å²	4	37.4 Å²	37.4	2%	0.021	19%	0.185	C	C	.	.	H	α-helix	trans	-66.3	-41.2	176.1	-69.1	172.7	0	0	0	111.9	L329 V341 E342 L343 H347 K348 V351 L376 Y380	L329-L345 HydrophobicContact CD1-CD2 4.43Å; L329-L345 HydrophobicContact CD1-CG 4.44Å; L329-L345 HydrophobicContact CD2-CD2 4.26Å; V341-L345 HydrophobicContact CG1-CD1 3.71Å; V341-L345 HydrophobicContact CG1-CG 4.23Å; V341-L345 WeakPolarHBondContact O-CB 3.45Å; V341-L345 VanDerWaalsContact O-CG 3.24Å; V341-L345 WeakPolarHBondContact O-CG 3.39Å; V341-L345 PolarHBondContact O-N 2.72Å; E342-L345 PolarHBondContact O-N 3.04Å; L343-L345 PolarHBondContact O-N 3.44Å; L345-H347 VanDerWaalsContact C-N 3.31Å; L345-H347 PolarHBondContact O-N 3.15Å; L345-K348 PolarHBondContact O-N 3Å; L345-V351 HydrophobicContact CD2-CG2 3.74Å; L345-L376 HydrophobicContact CD1-CD1 4.36Å; L345-L376 HydrophobicContact CD1-CD2 4.05Å; L345-L376 HydrophobicContact CD1-CG 3.82Å; L345-Y380 HydrophobicContact CB-CD1 3.97Å; L345-Y380 HydrophobicContact CB-CE1 3.79Å; L345-Y380 HydrophobicContact CB-CG 4.45Å; L345-Y380 HydrophobicContact CD1-CD1 4.34Å; L345-Y380 HydrophobicContact CD1-CD2 3.97Å; L345-Y380 HydrophobicContact CD1-CE2 4.3Å; L345-Y380 HydrophobicContact CD1-CG 3.98Å; L345-Y380 HydrophobicContact CD2-CD1 4.2Å; L345-Y380 HydrophobicContact CD2-CG 4.31Å; L345-Y380 HydrophobicContact CG-CD1 4.41Å; L345-Y380 HydrophobicContact CG-CG 4.5Å
346	Q	89.8	Confident	90.1	Very high	106 Å²	106	39 Å²	39	50%	0.495	19%	0.188	S	C	.	.	H	α-helix	trans	-60.9	-38.8	173.2	-73.1	168.3	4.6	0	0	112.1	E342 L343 K348	E342-Q346 WeakPolarHBondContact O-CB 3.49Å; E342-Q346 VanDerWaalsContact O-CG 3.23Å; E342-Q346 WeakPolarHBondContact O-CG 3.35Å; E342-Q346 PolarHBondContact O-N 3.17Å; L343-Q346 PolarHBondContact O-N 2.84Å; Q346-K348 PolarHBondContact O-N 2.88Å
347	H	87.8	Confident	89.8	Confident	68 Å²	68	40.4 Å²	40.4	32%	0.315	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	14.5	173.9	-77.3	-102.6	0	0	0	114.5	L312 P318 L343 L344 L345	L312-H347 HydrophobicContact CB-CB 4.38Å; L312-H347 HydrophobicContact CD1-CB 4.19Å; L312-H347 HydrophobicContact CD2-CB 4.13Å; L312-H347 HydrophobicContact CG-CB 4.48Å; L312-H347 PolarHBondContact O-ND1 3.09Å; P318-H347 WeakPolarHBondContact CG-O 3.46Å; L343-H347 WeakPolarHBondContact O-CB 3.26Å; L343-H347 PolarHBondContact O-CD2 2.82Å; L343-H347 PolarHBondContact O-N 3.09Å; L344-H347 CarbonylContact O-C 3.56Å; L344-H347 PolarHBondContact O-N 3.21Å; L345-H347 VanDerWaalsContact C-N 3.31Å; L345-H347 PolarHBondContact O-N 3.15Å
348	K	87.8	Confident	89.3	Confident	134 Å²	134	38.2 Å²	38.2	58%	0.583	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.4	43.9	170.8	-55.3	162.1	-172.9	159.7	0	114.5	N319 L344 L345 Q346 L531	N319-K348 PolarHBondContact ND2-O 3.4Å; L344-K348 PolarHBondContact O-N 3.48Å; L344-K348 VanDerWaalsContact O-N 3.17Å; L345-K348 PolarHBondContact O-N 3Å; Q346-K348 PolarHBondContact O-N 2.88Å; K348-L531 HydrophobicContact CB-CD1 3.96Å; K348-L531 HydrophobicContact CB-CD2 3.81Å; K348-L531 HydrophobicContact CG-CD1 4.2Å; K348-L531 HydrophobicContact CG-CD2 4.2Å
349	A	89.9	Confident	89.1	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	16%	0.163	C	C	.	.			trans	-63.8	137.7	163.5	0	0	0	0	0	111.8	P318 N319 L329 L344 V351	P318-A349 HydrophobicContact CB-CB 4.15Å; P318-A349 HydrophobicContact CG-CB 4.36Å; N319-A349 WeakPolarHBondContact OD1-CA 3.49Å; L329-A349 HydrophobicContact CB-CB 4.26Å; L329-A349 HydrophobicContact CD2-CB 3.89Å; L329-A349 HydrophobicContact CG-CB 4.49Å; L344-A349 HydrophobicContact CB-CB 4Å; L344-A349 WeakPolarHBondContact O-CB 3.14Å; L344-A349 PolarHBondContact O-N 2.79Å; A349-V351 PolarHBondContact O-N 3.13Å; A349-V351 VanDerWaalsContact O-N 3.14Å
350	L	89.1	Confident	89.1	Confident	35 Å²	35	31 Å²	31	18%	0.183	14%	0.144	C	C	.	.			trans	-75.7	97.3	-179.1	-64.6	174.5	0	0	0	110.5	N319 N352 T353 L531	N319-L350 HydrophobicContact CB-CD1 4.3Å; N319-L350 WeakPolarHBondContact OD1-CB 3.23Å; N319-L350 VanDerWaalsContact OD1-CG 3.27Å; N319-L350 WeakPolarHBondContact OD1-CG 3.41Å; N319-L350 PolarHBondContact OD1-N 2.83Å; L350-N352 PolarHBondContact O-N 3.18Å; L350-N352 VanDerWaalsContact O-N 3.09Å; L350-T353 HydrophobicContact CB-CG2 4.25Å; L350-T353 WeakPolarHBondContact O-CB 3.37Å; L350-T353 VanDerWaalsContact O-CG2 3.28Å; L350-T353 WeakPolarHBondContact O-CG2 3.38Å; L350-T353 PolarHBondContact O-N 3.05Å; L350-L531 WeakPolarHBondContact CA-O 3.21Å; L350-L531 HydrophobicContact CD2-CB 4.21Å; L350-L531 WeakPolarHBondContact CD2-O 3.33Å
351	V	92.3	Very high	89.2	Confident	2 Å²	2	30.6 Å²	30.6	1%	0.012	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-34.3	-174.8	-161.3	0	0	0	0	113.4	L345 A349 L377 A382	L345-V351 HydrophobicContact CD2-CG2 3.74Å; A349-V351 PolarHBondContact O-N 3.13Å; A349-V351 VanDerWaalsContact O-N 3.14Å; V351-L377 HydrophobicContact CG1-CD2 3.94Å; V351-A382 HydrophobicContact CG1-CB 3.7Å
352	N	88.7	Confident	89.2	Confident	11 Å²	11	30.6 Å²	30.6	6%	0.059	14%	0.142	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.2	16.6	-175.7	-72.1	-54.7	0	0	0	113.9	L350 G381 S383 L532 P533 Y586	L350-N352 PolarHBondContact O-N 3.18Å; L350-N352 VanDerWaalsContact O-N 3.09Å; N352-G381 PolarHBondContact ND2-O 3.41Å; N352-S383 WeakPolarHBondContact OD1-CB 3.35Å; N352-S383 PolarHBondContact OD1-N 2.93Å; N352-L532 HydrophobicContact CB-CD2 4.12Å; N352-L532 VanDerWaalsContact ND2-CD2 3.34Å; N352-L532 WeakPolarHBondContact ND2-CD2 3.46Å; N352-P533 WeakPolarHBondContact O-CG 3.44Å; N352-Y586 HydrophobicContact CB-CE2 4.1Å
353	T	86.3	Confident	89.3	Confident	3 Å²	3	28 Å²	28	2%	0.018	13%	0.13	C	C	.	.			trans	-73.4	146	176.7	-158.6	0	0	0	0	111.9	K321 T327 H330 L350 P361 D537	K321-T353 WeakPolarHBondContact CE-OG1 3.12Å; K321-T353 PolarHBondContact NZ-OG1 2.92Å; K321-T353 VanDerWaalsContact NZ-OG1 3.13Å; T327-T353 HydrophobicContact CG2-CG2 3.85Å; H330-T353 PolarHBondContact CE1-O 2.93Å; L350-T353 HydrophobicContact CB-CG2 4.25Å; L350-T353 WeakPolarHBondContact O-CB 3.37Å; L350-T353 VanDerWaalsContact O-CG2 3.28Å; L350-T353 WeakPolarHBondContact O-CG2 3.38Å; L350-T353 PolarHBondContact O-N 3.05Å; T353-P361 WeakPolarHBondContact O-CD 3.25Å; T353-D537 PolarHBondContact OG1-OD2 3.4Å
354	T	85.8	Confident	89.4	Confident	15 Å²	15	27.6 Å²	27.6	9%	0.092	13%	0.128	C	C	.	.			trans	-93.6	132.3	-176.2	47.7	0	0	0	0	112	K321 N358 V584	K321-T354 VanDerWaalsContact CE-O 3.3Å; K321-T354 WeakPolarHBondContact CE-O 3.41Å; K321-T354 PolarHBondContact NZ-O 2.95Å; T354-N358 HydrophobicContact CG2-CB 4Å; T354-V584 HydrophobicContact CG2-CG2 3.88Å
355	G	85.1	Confident	89.5	Confident	8 Å²	8	27.4 Å²	27.4	8%	0.082	13%	0.127	C	C	.	.			trans	-105.5	-150.4	179.9	0	0	0	0	0	114	G325 H330 Q357 N358 D359	G325-G355 WeakPolarHBondContact O-CA 3.5Å; H330-G355 WeakPolarHBondContact NE2-CA 3.16Å; H330-G355 PolarHBondContact NE2-N 3.33Å; H330-G355 VanDerWaalsContact NE2-N 3.18Å; G355-Q357 PolarHBondContact O-N 2.91Å; G355-N358 WeakPolarHBondContact O-CA 3.39Å; G355-N358 PolarHBondContact O-N 3.16Å; G355-D359 PolarHBondContact N-O 2.96Å
356	Y	84.2	Confident	89.7	Confident	123 Å²	123	27.2 Å²	27.2	48%	0.482	13%	0.126	S	C	.	.	G	3₁₀ helix	trans	-55	134.9	172.7	-176.8	-115.2	0	0	0	110.4	A324 W326 N358 D359	A324-Y356 HydrophobicContact CB-CD2 4.31Å; A324-Y356 WeakPolarHBondContact O-CA 3.36Å; W326-Y356 VanDerWaalsContact CD1-N 3.3Å; Y356-N358 PolarHBondContact O-N 2.88Å; Y356-D359 PolarHBondContact O-N 3.01Å; Y356-D359 VanDerWaalsContact O-N 3.08Å
357	Q	83.8	Confident	89.9	Confident	55 Å²	55	26 Å²	26	26%	0.257	12%	0.119	S	C	.	.	G	3₁₀ helix	trans	58	13.5	-175.3	-60	176.2	-10.4	0	0	114.6	G355 D359 N388 I389 F390	G355-Q357 PolarHBondContact O-N 2.91Å; Q357-D359 PolarHBondContact O-N 3.35Å; Q357-N388 WeakPolarHBondContact O-CB 3.36Å; Q357-I389 HydrophobicContact CB-CD1 3.67Å; Q357-I389 HydrophobicContact CB-CG1 3.96Å; Q357-I389 HydrophobicContact CG-CD1 3.75Å; Q357-I389 WeakPolarHBondContact O-CG1 3.29Å; Q357-I389 WeakPolarHBondContact O-CG2 3.48Å; Q357-I389 PolarHBondContact O-N 3.21Å; Q357-F390 HydrophobicContact CB-CE2 4.28Å; Q357-F390 HydrophobicContact CG-CE2 4.38Å
358	N	82.9	Confident	90.1	Very high	6 Å²	6	26.1 Å²	26.1	3%	0.032	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	50.8	26.6	-166.5	-45.7	-78.2	0	0	0	114.2	T354 G355 Y356 I389 N582 T583 V584	T354-N358 HydrophobicContact CG2-CB 4Å; G355-N358 WeakPolarHBondContact O-CA 3.39Å; G355-N358 PolarHBondContact O-N 3.16Å; Y356-N358 PolarHBondContact O-N 2.88Å; N358-I389 WeakPolarHBondContact ND2-CG2 3.45Å; N358-N582 PolarHBondContact ND2-O 2.9Å; N358-T583 WeakPolarHBondContact ND2-CA 3.24Å; N358-T583 WeakPolarHBondContact OD1-CA 3.43Å; N358-V584 HydrophobicContact CB-CG1 4.34Å; N358-V584 HydrophobicContact CB-CG2 3.79Å; N358-V584 VanDerWaalsContact CG-N 3.34Å; N358-V584 PolarHBondContact ND2-N 3.42Å; N358-V584 PolarHBondContact OD1-N 3.4Å
359	D	89.4	Confident	90.3	Very high	2 Å²	2	21.8 Å²	21.8	1%	0.011	12%	0.115	C	C	.	.			trans	-56.4	146.7	152.7	-77	-9.1	0	0	0	107.4	H330 G355 Y356 Q357 H363 K367 N388 Y397	H330-D359 PolarHBondContact NE2-O 3.25Å; G355-D359 PolarHBondContact N-O 2.96Å; Y356-D359 PolarHBondContact O-N 3.01Å; Y356-D359 VanDerWaalsContact O-N 3.08Å; Q357-D359 PolarHBondContact O-N 3.35Å; D359-H363 HydrophobicContact CB-CB 3.84Å; D359-H363 IonicContact OD1-CD2 2.68Å; D359-K367 IonicContact OD2-NZ 2.84Å; D359-K367 PolarHBondContact OD2-NZ 2.95Å; D359-N388 WeakPolarHBondContact OD1-CB 3.37Å; D359-N388 PolarHBondContact OD1-ND2 3.17Å; D359-Y397 WeakPolarHBondContact OD1-CE2 3.45Å; D359-Y397 PolarHBondContact OD1-OH 2.89Å; D359-Y397 PolarHBondContact OD2-OH 3.39Å
360	S	92.1	Very high	90.5	Very high	4 Å²	4	24.3 Å²	24.3	3%	0.028	13%	0.127	C	C	.	.			trans	-107	168.8	172	72.6	0	0	0	0	109.5	L362 H363 D364	S360-L362 PolarHBondContact O-N 3.21Å; S360-H363 PolarHBondContact N-ND1 3.41Å; S360-H363 VanDerWaalsContact N-ND1 3.11Å; S360-H363 WeakPolarHBondContact O-CA 3.44Å; S360-H363 WeakPolarHBondContact O-CB 3.42Å; S360-H363 PolarHBondContact O-N 3.27Å; S360-H363 PolarHBondContact OG-ND1 3.49Å; S360-D364 PolarHBondContact O-N 2.87Å; S360-D364 VanDerWaalsContact O-N 3.13Å
361	P	94.9	Very high	90.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-54.5	-28.8	177.5	-27	35.8	0	0	0	113.7	L329 H330 C333 T353 A365 L377	L329-P361 HydrophobicContact CB-CG 4.46Å; L329-P361 HydrophobicContact CD2-CB 4.2Å; L329-P361 HydrophobicContact CD2-CG 3.83Å; L329-P361 HydrophobicContact CG-CB 3.96Å; L329-P361 HydrophobicContact CG-CG 3.86Å; H330-P361 WeakPolarHBondContact NE2-CD 3.43Å; C333-P361 HydrophobicContact CB-CB 4.25Å; C333-P361 WeakPolarHBondContact CB-O 3.25Å; T353-P361 WeakPolarHBondContact O-CD 3.25Å; P361-A365 WeakPolarHBondContact O-CB 3.23Å; P361-A365 PolarHBondContact O-N 3.24Å; P361-L377 HydrophobicContact CB-CD1 4.21Å; P361-L377 HydrophobicContact CB-CD2 4.27Å; P361-L377 WeakPolarHBondContact O-CD1 3.48Å
362	L	95.1	Very high	90.8	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-70.8	-34.2	174.5	-170.6	65.4	0	0	0	112.8	S360 A366 V374 L377 L378 A382 P394 L407	S360-L362 PolarHBondContact O-N 3.21Å; L362-A366 VanDerWaalsContact O-CB 3.26Å; L362-A366 WeakPolarHBondContact O-CB 3.26Å; L362-A366 PolarHBondContact O-N 3.39Å; L362-V374 HydrophobicContact CD1-CB 4.36Å; L362-V374 HydrophobicContact CD1-CG1 3.99Å; L362-V374 HydrophobicContact CD1-CG2 4.22Å; L362-L377 HydrophobicContact CB-CD1 4.32Å; L362-L377 HydrophobicContact CD1-CB 4.06Å; L362-L377 HydrophobicContact CD1-CD1 4.18Å; L362-L378 HydrophobicContact CD1-CD2 4.34Å; L362-L378 HydrophobicContact CD1-CG 4.19Å; L362-L378 HydrophobicContact CD2-CD2 3.98Å; L362-A382 HydrophobicContact CB-CB 4.15Å; L362-A382 HydrophobicContact CD1-CB 4.24Å; L362-A382 HydrophobicContact CD2-CB 3.8Å; L362-A382 HydrophobicContact CG-CB 4.29Å; L362-P394 HydrophobicContact CB-CG 4.16Å; L362-P394 HydrophobicContact CD2-CB 4.25Å; L362-P394 HydrophobicContact CD2-CG 3.84Å; L362-P394 HydrophobicContact CG-CB 3.93Å; L362-P394 HydrophobicContact CG-CG 3.85Å; L362-L407 HydrophobicContact CD1-CD2 4.17Å; L362-L407 HydrophobicContact CD2-CD2 4.19Å; L362-L407 HydrophobicContact CG-CD2 4.26Å
363	H	94.6	Very high	91.1	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.4	-50.2	171.4	-65.9	79.2	0	0	0	110.1	D359 S360 A365 A366 K367 A386 L392 P394 Y397	D359-H363 HydrophobicContact CB-CB 3.84Å; D359-H363 IonicContact OD1-CD2 2.68Å; S360-H363 PolarHBondContact N-ND1 3.41Å; S360-H363 VanDerWaalsContact N-ND1 3.11Å; S360-H363 WeakPolarHBondContact O-CA 3.44Å; S360-H363 WeakPolarHBondContact O-CB 3.42Å; S360-H363 PolarHBondContact O-N 3.27Å; S360-H363 PolarHBondContact OG-ND1 3.49Å; H363-A365 PolarHBondContact O-N 2.8Å; H363-A366 PolarHBondContact O-N 3.25Å; H363-K367 WeakPolarHBondContact O-CB 3.47Å; H363-K367 PolarHBondContact O-N 2.95Å; H363-A386 PolarHBondContact CE1-O 2.93Å; H363-A386 PolarHBondContact NE2-O 3.11Å; H363-L392 PolarHBondContact NE2-O 3.12Å; H363-P394 WeakPolarHBondContact NE2-CD 3.18Å; H363-Y397 HydrophobicContact CB-CD2 4.36Å; H363-Y397 HydrophobicContact CB-CE2 4.45Å; H363-Y397 AromaticContact CD2-CD2 3.81Å; H363-Y397 AromaticContact CD2-CE2 3.77Å
364	D	94.4	Very high	91.6	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.2	-41.6	178.9	-83.2	-59.2	0	0	0	112.6	H330 C333 N334 S360 N368	H330-D364 IonicContact CD2-OD2 3.18Å; H330-D364 PolarHBondContact CD2-OD2 3.04Å; C333-D364 HydrophobicContact CB-CB 4.43Å; N334-D364 HydrophobicContact CB-CB 4.25Å; N334-D364 PolarHBondContact ND2-OD1 3.46Å; S360-D364 PolarHBondContact O-N 2.87Å; S360-D364 VanDerWaalsContact O-N 3.13Å; D364-N368 PolarHBondContact O-N 3.41Å; D364-N368 PolarHBondContact O-ND2 3.3Å
365	A	95.1	Very high	91.9	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-65.9	-41.6	176	0	0	0	0	0	112.7	C333 P361 H363 G369 H370 I373 V374 L377	C333-A365 HydrophobicContact CB-CB 4.25Å; P361-A365 WeakPolarHBondContact O-CB 3.23Å; P361-A365 PolarHBondContact O-N 3.24Å; H363-A365 PolarHBondContact O-N 2.8Å; A365-G369 PolarHBondContact O-N 3.18Å; A365-H370 PolarHBondContact O-N 3Å; A365-I373 HydrophobicContact CB-CB 4.24Å; A365-I373 HydrophobicContact CB-CG2 3.66Å; A365-V374 HydrophobicContact CB-CG2 3.61Å; A365-L377 HydrophobicContact CB-CD1 3.93Å
366	A	94.8	Very high	92.3	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-68.5	-45.3	179.2	0	0	0	0	0	112.7	L362 H363 N368 G369 V374 P394 L407	L362-A366 VanDerWaalsContact O-CB 3.26Å; L362-A366 WeakPolarHBondContact O-CB 3.26Å; L362-A366 PolarHBondContact O-N 3.39Å; H363-A366 PolarHBondContact O-N 3.25Å; A366-N368 VanDerWaalsContact C-N 3.31Å; A366-N368 PolarHBondContact O-N 3.05Å; A366-G369 PolarHBondContact O-N 3.48Å; A366-G369 VanDerWaalsContact O-N 3.12Å; A366-V374 HydrophobicContact CB-CG2 4.34Å; A366-P394 HydrophobicContact CB-CB 4.21Å; A366-P394 VanDerWaalsContact CB-O 3.32Å; A366-P394 WeakPolarHBondContact CB-O 3.32Å; A366-L407 HydrophobicContact CB-CD1 3.83Å
367	K	93.1	Very high	92.8	Very high	79 Å²	79	27.1 Å²	27.1	34%	0.343	14%	0.144	S	C	.	.	H	α-helix	trans	-60.5	-33.4	179.2	-179.2	-180	-174	179.6	0	113.7	D359 H363 Y397	D359-K367 IonicContact OD2-NZ 2.84Å; D359-K367 PolarHBondContact OD2-NZ 2.95Å; H363-K367 WeakPolarHBondContact O-CB 3.47Å; H363-K367 PolarHBondContact O-N 2.95Å; K367-Y397 HydrophobicContact CB-CD1 4.11Å; K367-Y397 HydrophobicContact CB-CG 4.13Å; K367-Y397 HydrophobicContact CD-CD1 3.78Å; K367-Y397 HydrophobicContact CD-CE1 3.8Å; K367-Y397 HydrophobicContact CD-CG 4.32Å; K367-Y397 HydrophobicContact CG-CD1 3.7Å; K367-Y397 HydrophobicContact CG-CE1 4.2Å; K367-Y397 HydrophobicContact CG-CG 4.23Å
368	N	92.4	Very high	93.2	Very high	72 Å²	72	26.3 Å²	26.3	39%	0.385	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	4.5	176.9	-63.8	-72	0	0	0	113.4	N334 D364 A366 H370	N334-N368 PolarHBondContact ND2-ND2 3.04Å; N334-N368 VanDerWaalsContact ND2-ND2 3.17Å; D364-N368 PolarHBondContact O-N 3.41Å; D364-N368 PolarHBondContact O-ND2 3.3Å; A366-N368 VanDerWaalsContact C-N 3.31Å; A366-N368 PolarHBondContact O-N 3.05Å; N368-H370 VanDerWaalsContact CB-CD2 3.48Å; N368-H370 WeakPolarHBondContact CB-CD2 3.49Å; N368-H370 VanDerWaalsContact CB-NE2 3.33Å; N368-H370 WeakPolarHBondContact CB-NE2 3.32Å
369	G	92.4	Very high	93.6	Very high	42 Å²	42	30.2 Å²	30.2	43%	0.433	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.2	14.9	172.9	0	0	0	0	0	116	A365 A366 V371	A365-G369 PolarHBondContact O-N 3.18Å; A366-G369 PolarHBondContact O-N 3.48Å; A366-G369 VanDerWaalsContact O-N 3.12Å; G369-V371 VanDerWaalsContact C-N 3.3Å; G369-V371 PolarHBondContact O-N 2.89Å
370	H	94.9	Very high	93.5	Very high	54 Å²	54	32.9 Å²	32.9	25%	0.25	18%	0.179	C	C	.	.			trans	-80.2	70.8	-173.7	-59.1	-57.8	0	0	0	112.6	C333 N334 G336 A365 N368 D372 I373 V374	C333-H370 PolarHBondContact O-CD2 3.16Å; N334-H370 PolarHBondContact O-NE2 2.83Å; G336-H370 WeakPolarHBondContact CA-CE1 3.44Å; G336-H370 WeakPolarHBondContact CA-ND1 3.28Å; G336-H370 WeakPolarHBondContact CA-NE2 3.34Å; G336-H370 PolarHBondContact N-NE2 3.01Å; A365-H370 PolarHBondContact O-N 3Å; N368-H370 VanDerWaalsContact CB-CD2 3.48Å; N368-H370 WeakPolarHBondContact CB-CD2 3.49Å; N368-H370 VanDerWaalsContact CB-NE2 3.33Å; N368-H370 WeakPolarHBondContact CB-NE2 3.32Å; H370-D372 VanDerWaalsContact C-N 3.3Å; H370-D372 PolarHBondContact O-N 2.76Å; H370-D372 VanDerWaalsContact O-N 3.16Å; H370-I373 HydrophobicContact CB-CB 4.02Å; H370-I373 HydrophobicContact CB-CD1 4.02Å; H370-I373 HydrophobicContact CB-CG1 4.24Å; H370-I373 WeakPolarHBondContact O-CB 3.33Å; H370-I373 PolarHBondContact O-N 2.87Å; H370-V374 PolarHBondContact O-N 3.07Å
371	V	93.4	Very high	93.2	Very high	35 Å²	35	34.9 Å²	34.9	21%	0.212	20%	0.201	C	C	.	.	H	α-helix	trans	-49.6	-42.9	-172.4	168.3	0	0	0	0	113.7	G369 V374 K375 M403 L406	G369-V371 VanDerWaalsContact C-N 3.3Å; G369-V371 PolarHBondContact O-N 2.89Å; V371-V374 PolarHBondContact O-N 3.13Å; V371-K375 WeakPolarHBondContact O-CG 3.43Å; V371-K375 PolarHBondContact O-N 3.06Å; V371-M403 HydrophobicContact CB-CE 4.28Å; V371-M403 HydrophobicContact CG2-CE 3.57Å; V371-M403 HydrophobicContact CG2-SD 4.05Å; V371-L406 HydrophobicContact CG1-CD1 3.77Å
372	D	94	Very high	92.9	Very high	90 Å²	90	35.1 Å²	35.1	48%	0.481	20%	0.203	S	C	.	.	H	α-helix	trans	-76.5	-28.6	-177.7	-63.3	-46.4	0	0	0	113.2	L338 H370 K375 L376	L338-D372 HydrophobicContact CD2-CB 4.36Å; H370-D372 VanDerWaalsContact C-N 3.3Å; H370-D372 PolarHBondContact O-N 2.76Å; H370-D372 VanDerWaalsContact O-N 3.16Å; D372-K375 PolarHBondContact O-N 2.82Å; D372-K375 IonicContact OD1-NZ 3.23Å; D372-K375 PolarHBondContact OD1-NZ 2.97Å; D372-L376 WeakPolarHBondContact O-CB 3.28Å; D372-L376 PolarHBondContact O-N 3.44Å
373	I	95.7	Very high	92.6	Very high	4 Å²	4	37 Å²	37	2%	0.021	22%	0.216	C	C	.	.	H	α-helix	trans	-67.9	-40.9	168.1	-65.9	179.8	0	0	0	110	C333 G336 L338 V341 A365 H370 K375 L376 L377	C333-I373 HydrophobicContact CB-CG2 4.25Å; G336-I373 VanDerWaalsContact C-CD1 3.49Å; L338-I373 HydrophobicContact CB-CD1 4.46Å; L338-I373 HydrophobicContact CB-CG1 4.1Å; L338-I373 HydrophobicContact CD1-CG1 3.73Å; V341-I373 HydrophobicContact CG1-CG2 4.36Å; V341-I373 HydrophobicContact CG2-CD1 4.1Å; V341-I373 HydrophobicContact CG2-CG1 4.49Å; V341-I373 HydrophobicContact CG2-CG2 4.25Å; A365-I373 HydrophobicContact CB-CB 4.24Å; A365-I373 HydrophobicContact CB-CG2 3.66Å; H370-I373 HydrophobicContact CB-CB 4.02Å; H370-I373 HydrophobicContact CB-CD1 4.02Å; H370-I373 HydrophobicContact CB-CG1 4.24Å; H370-I373 WeakPolarHBondContact O-CB 3.33Å; H370-I373 PolarHBondContact O-N 2.87Å; I373-K375 PolarHBondContact O-N 3.34Å; I373-L376 PolarHBondContact O-N 3.42Å; I373-L377 HydrophobicContact CG2-CD1 3.8Å; I373-L377 HydrophobicContact CG2-CG 4.06Å; I373-L377 WeakPolarHBondContact O-CB 3.42Å; I373-L377 VanDerWaalsContact O-CG 3.29Å; I373-L377 WeakPolarHBondContact O-CG 3.5Å; I373-L377 PolarHBondContact O-N 2.97Å
374	V	94.9	Very high	92.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.7	-44.9	174.7	167.1	0	0	0	0	111.2	L362 A365 A366 H370 V371 L376 L378 M403 L407	L362-V374 HydrophobicContact CD1-CB 4.36Å; L362-V374 HydrophobicContact CD1-CG1 3.99Å; L362-V374 HydrophobicContact CD1-CG2 4.22Å; A365-V374 HydrophobicContact CB-CG2 3.61Å; A366-V374 HydrophobicContact CB-CG2 4.34Å; H370-V374 PolarHBondContact O-N 3.07Å; V371-V374 PolarHBondContact O-N 3.13Å; V374-L376 PolarHBondContact O-N 3.11Å; V374-L378 HydrophobicContact CG1-CD1 3.86Å; V374-L378 HydrophobicContact CG1-CG 4.45Å; V374-L378 WeakPolarHBondContact O-CB 3.32Å; V374-L378 WeakPolarHBondContact O-CD1 3.25Å; V374-L378 WeakPolarHBondContact O-CG 3.27Å; V374-L378 PolarHBondContact O-N 2.98Å; V374-M403 HydrophobicContact CB-SD 3.83Å; V374-M403 HydrophobicContact CG1-SD 3.84Å; V374-M403 HydrophobicContact CG2-CE 3.98Å; V374-M403 HydrophobicContact CG2-SD 3.63Å; V374-L407 HydrophobicContact CG1-CD2 3.87Å; V374-L407 HydrophobicContact CG1-CG 4.3Å
375	K	93.6	Very high	91.9	Very high	97 Å²	97	43.1 Å²	43.1	42%	0.422	25%	0.246	S	C	.	.	H	α-helix	trans	-58.5	-45.7	173.5	-67.3	168.8	-165.7	158.9	0	112.2	V371 D372 I373 L378 S379 L406	V371-K375 WeakPolarHBondContact O-CG 3.43Å; V371-K375 PolarHBondContact O-N 3.06Å; D372-K375 PolarHBondContact O-N 2.82Å; D372-K375 IonicContact OD1-NZ 3.23Å; D372-K375 PolarHBondContact OD1-NZ 2.97Å; I373-K375 PolarHBondContact O-N 3.34Å; K375-L378 PolarHBondContact O-N 3.41Å; K375-S379 PolarHBondContact O-N 3.15Å; K375-L406 HydrophobicContact CG-CD1 4.18Å; K375-L406 HydrophobicContact CG-CD2 4.47Å
376	L	93.8	Very high	91.4	Very high	29 Å²	29	44.1 Å²	44.1	15%	0.152	25%	0.254	C	S	.	.	H	α-helix	trans	-65.1	-47.1	-179.6	179.2	62.6	0	0	0	112.1	L338 V341 E342 L345 D372 I373 V374 L378 S379 Y380	L338-L376 HydrophobicContact CD1-CB 4.48Å; L338-L376 HydrophobicContact CD1-CD2 3.71Å; V341-L376 HydrophobicContact CB-CD2 4.38Å; V341-L376 HydrophobicContact CG1-CD2 3.81Å; E342-L376 HydrophobicContact CG-CD2 3.66Å; L345-L376 HydrophobicContact CD1-CD1 4.36Å; L345-L376 HydrophobicContact CD1-CD2 4.05Å; L345-L376 HydrophobicContact CD1-CG 3.82Å; D372-L376 WeakPolarHBondContact O-CB 3.28Å; D372-L376 PolarHBondContact O-N 3.44Å; I373-L376 PolarHBondContact O-N 3.42Å; V374-L376 PolarHBondContact O-N 3.11Å; L376-L378 VanDerWaalsContact C-N 3.31Å; L376-L378 PolarHBondContact O-N 3.13Å; L376-S379 PolarHBondContact O-N 3.42Å; L376-S379 PolarHBondContact O-OG 2.81Å; L376-Y380 HydrophobicContact CD1-CD2 3.88Å; L376-Y380 HydrophobicContact CD1-CE2 3.68Å; L376-Y380 WeakPolarHBondContact O-CD2 3.25Å; L376-Y380 PolarHBondContact O-N 3.07Å; L376-Y380 VanDerWaalsContact O-N 3.12Å
377	L	93.8	Very high	90.8	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.9	-42.4	176	-71.4	173.7	0	0	0	111.4	L329 V341 V351 P361 L362 A365 I373 Y380 G381 A382	L329-L377 HydrophobicContact CD1-CD2 4.43Å; V341-L377 HydrophobicContact CG1-CD2 4.39Å; V351-L377 HydrophobicContact CG1-CD2 3.94Å; P361-L377 HydrophobicContact CB-CD1 4.21Å; P361-L377 HydrophobicContact CB-CD2 4.27Å; P361-L377 WeakPolarHBondContact O-CD1 3.48Å; L362-L377 HydrophobicContact CB-CD1 4.32Å; L362-L377 HydrophobicContact CD1-CB 4.06Å; L362-L377 HydrophobicContact CD1-CD1 4.18Å; A365-L377 HydrophobicContact CB-CD1 3.93Å; I373-L377 HydrophobicContact CG2-CD1 3.8Å; I373-L377 HydrophobicContact CG2-CG 4.06Å; I373-L377 WeakPolarHBondContact O-CB 3.42Å; I373-L377 VanDerWaalsContact O-CG 3.29Å; I373-L377 WeakPolarHBondContact O-CG 3.5Å; I373-L377 PolarHBondContact O-N 2.97Å; L377-Y380 CarbonylContact O-C 3.57Å; L377-Y380 PolarHBondContact O-N 3.19Å; L377-G381 PolarHBondContact O-N 3.49Å; L377-A382 VanDerWaalsContact C-CB 3.48Å; L377-A382 HydrophobicContact CB-CB 3.84Å; L377-A382 WeakPolarHBondContact O-CB 3.48Å; L377-A382 PolarHBondContact O-N 3.01Å
378	L	92.1	Very high	90.3	Very high	38 Å²	38	42.5 Å²	42.5	20%	0.199	25%	0.25	C	S	.	.	H	α-helix	trans	-63.8	-39.9	176.8	-72.2	171.5	0	0	0	112.6	L362 V374 K375 L376 Y380 G381 R384 L407	L362-L378 HydrophobicContact CD1-CD2 4.34Å; L362-L378 HydrophobicContact CD1-CG 4.19Å; L362-L378 HydrophobicContact CD2-CD2 3.98Å; V374-L378 HydrophobicContact CG1-CD1 3.86Å; V374-L378 HydrophobicContact CG1-CG 4.45Å; V374-L378 WeakPolarHBondContact O-CB 3.32Å; V374-L378 WeakPolarHBondContact O-CD1 3.25Å; V374-L378 WeakPolarHBondContact O-CG 3.27Å; V374-L378 PolarHBondContact O-N 2.98Å; K375-L378 PolarHBondContact O-N 3.41Å; L376-L378 VanDerWaalsContact C-N 3.31Å; L376-L378 PolarHBondContact O-N 3.13Å; L378-Y380 PolarHBondContact O-N 3.22Å; L378-G381 PolarHBondContact O-N 3.2Å; L378-R384 HydrophobicContact CD2-CG 3.63Å; L378-L407 HydrophobicContact CD1-CD2 4.4Å
379	S	90.8	Very high	89.5	Confident	88 Å²	88	40.7 Å²	40.7	62%	0.615	24%	0.24	S	C	*	.	H	α-helix	trans	-69.2	-22.1	175.7	67.5	0	0	0	0	113.4	K375 L376	K375-S379 PolarHBondContact O-N 3.15Å; L376-S379 PolarHBondContact O-N 3.42Å; L376-S379 PolarHBondContact O-OG 2.81Å
380	Y	87.3	Confident	88.9	Confident	58 Å²	58	44.4 Å²	44.4	23%	0.227	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.6	11.4	169.9	-83	-103.5	0	0	0	113.7	L345 L376 L377 L378	L345-Y380 HydrophobicContact CB-CD1 3.97Å; L345-Y380 HydrophobicContact CB-CE1 3.79Å; L345-Y380 HydrophobicContact CB-CG 4.45Å; L345-Y380 HydrophobicContact CD1-CD1 4.34Å; L345-Y380 HydrophobicContact CD1-CD2 3.97Å; L345-Y380 HydrophobicContact CD1-CE2 4.3Å; L345-Y380 HydrophobicContact CD1-CG 3.98Å; L345-Y380 HydrophobicContact CD2-CD1 4.2Å; L345-Y380 HydrophobicContact CD2-CG 4.31Å; L345-Y380 HydrophobicContact CG-CD1 4.41Å; L345-Y380 HydrophobicContact CG-CG 4.5Å; L376-Y380 HydrophobicContact CD1-CD2 3.88Å; L376-Y380 HydrophobicContact CD1-CE2 3.68Å; L376-Y380 WeakPolarHBondContact O-CD2 3.25Å; L376-Y380 PolarHBondContact O-N 3.07Å; L376-Y380 VanDerWaalsContact O-N 3.12Å; L377-Y380 CarbonylContact O-C 3.57Å; L377-Y380 PolarHBondContact O-N 3.19Å; L378-Y380 PolarHBondContact O-N 3.22Å
381	G	86.2	Confident	88.3	Confident	46 Å²	46	44 Å²	44	47%	0.474	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	25.7	172.2	0	0	0	0	0	115.7	N352 L377 L378 S383	N352-G381 PolarHBondContact ND2-O 3.41Å; L377-G381 PolarHBondContact O-N 3.49Å; L378-G381 PolarHBondContact O-N 3.2Å; G381-S383 PolarHBondContact O-N 2.91Å
382	A	89.8	Confident	88	Confident	6 Å²	6	45.4 Å²	45.4	5%	0.05	26%	0.262	C	S	.	.			trans	-62.2	131.1	173.5	0	0	0	0	0	112.4	V351 L362 L377 R384	V351-A382 HydrophobicContact CG1-CB 3.7Å; L362-A382 HydrophobicContact CB-CB 4.15Å; L362-A382 HydrophobicContact CD1-CB 4.24Å; L362-A382 HydrophobicContact CD2-CB 3.8Å; L362-A382 HydrophobicContact CG-CB 4.29Å; L377-A382 VanDerWaalsContact C-CB 3.48Å; L377-A382 HydrophobicContact CB-CB 3.84Å; L377-A382 WeakPolarHBondContact O-CB 3.48Å; L377-A382 PolarHBondContact O-N 3.01Å; A382-R384 PolarHBondContact O-N 3.33Å
383	S	87.4	Confident	87.8	Confident	38 Å²	38	45.1 Å²	45.1	27%	0.266	25%	0.254	S	S	.	.			trans	-76.7	110	-176.5	-178.5	0	0	0	0	111.6	N352 G381 N385 A386	N352-S383 WeakPolarHBondContact OD1-CB 3.35Å; N352-S383 PolarHBondContact OD1-N 2.93Å; G381-S383 PolarHBondContact O-N 2.91Å; S383-N385 PolarHBondContact O-N 3.33Å; S383-A386 WeakPolarHBondContact O-CB 3.45Å; S383-A386 PolarHBondContact O-N 3.43Å; S383-A386 PolarHBondContact OG-N 3.24Å
384	R	88.8	Confident	87.6	Confident	38 Å²	38	45 Å²	45	14%	0.143	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.9	174.5	-52.9	165.4	77.1	65.9	-2.5	112.1	L378 A382 L406 L407 L409	L378-R384 HydrophobicContact CD2-CG 3.63Å; A382-R384 PolarHBondContact O-N 3.33Å; R384-L406 VanDerWaalsContact CZ-O 3.24Å; R384-L406 PolarHBondContact NH1-O 2.75Å; R384-L406 PolarHBondContact NH2-O 3.07Å; R384-L407 PolarHBondContact NH2-O 2.8Å; R384-L407 VanDerWaalsContact NH2-O 3.09Å; R384-L409 PolarHBondContact NE-O 3.17Å; R384-L409 VanDerWaalsContact NH2-CB 3.33Å; R384-L409 PolarHBondContact NH2-O 3.22Å
385	N	85.7	Confident	87.5	Confident	92 Å²	92	45.6 Å²	45.6	49%	0.492	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	9.4	-174.4	-66.4	-53.4	0	0	0	112.9	S383 V387 E411	S383-N385 PolarHBondContact O-N 3.33Å; N385-V387 PolarHBondContact O-N 2.9Å; N385-E411 PolarHBondContact ND2-OE1 2.89Å
386	A	84.3	Confident	87.4	Confident	20 Å²	20	44.4 Å²	44.4	17%	0.165	26%	0.255	C	S	.	.			trans	-61	134.8	170.7	0	0	0	0	0	110.2	H363 S383 R393	H363-A386 PolarHBondContact CE1-O 2.93Å; H363-A386 PolarHBondContact NE2-O 3.11Å; S383-A386 WeakPolarHBondContact O-CB 3.45Å; S383-A386 PolarHBondContact O-N 3.43Å; S383-A386 PolarHBondContact OG-N 3.24Å; A386-R393 WeakPolarHBondContact O-CA 3.38Å
387	V	82.6	Confident	87.1	Confident	45 Å²	45	45.7 Å²	45.7	27%	0.273	26%	0.258	S	S	.	.			trans	-116.6	136.7	176.9	-72.1	0	0	0	0	111.5	N385 L392 R393	N385-V387 PolarHBondContact O-N 2.9Å; V387-L392 WeakPolarHBondContact CA-O 3.11Å; V387-R393 HydrophobicContact CG1-CG 3.63Å
388	N	82.9	Confident	86.8	Confident	0 Å²	0	46.4 Å²	46.4	0%	0	26%	0.263	C	S	.	.			trans	-87.6	-172.1	177.3	77.4	4.6	0	0	0	112.6	Q357 D359 F390 G391 L392 Y397	Q357-N388 WeakPolarHBondContact O-CB 3.36Å; D359-N388 WeakPolarHBondContact OD1-CB 3.37Å; D359-N388 PolarHBondContact OD1-ND2 3.17Å; N388-F390 PolarHBondContact O-N 3.32Å; N388-F390 VanDerWaalsContact O-N 3.12Å; N388-F390 WeakPolarHBondContact OD1-CA 3.06Å; N388-F390 WeakPolarHBondContact OD1-CB 3.37Å; N388-F390 PolarHBondContact OD1-N 3.06Å; N388-G391 PolarHBondContact O-N 3.29Å; N388-G391 VanDerWaalsContact O-N 3.13Å; N388-G391 PolarHBondContact OD1-N 3.28Å; N388-L392 PolarHBondContact N-O 3.44Å; N388-L392 PolarHBondContact OD1-N 2.95Å; N388-L392 VanDerWaalsContact OD1-N 3.13Å; N388-L392 PolarHBondContact OD1-O 3.49Å; N388-Y397 WeakPolarHBondContact ND2-CE2 3.45Å; N388-Y397 PolarHBondContact ND2-OH 2.97Å
389	I	75.3	Confident	86.5	Confident	34 Å²	34	51.7 Å²	51.7	17%	0.174	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-17.4	179.7	60.7	176	0	0	0	115.4	Q357 N358 N582	Q357-I389 HydrophobicContact CB-CD1 3.67Å; Q357-I389 HydrophobicContact CB-CG1 3.96Å; Q357-I389 HydrophobicContact CG-CD1 3.75Å; Q357-I389 WeakPolarHBondContact O-CG1 3.29Å; Q357-I389 WeakPolarHBondContact O-CG2 3.48Å; Q357-I389 PolarHBondContact O-N 3.21Å; N358-I389 WeakPolarHBondContact ND2-CG2 3.45Å; I389-N582 WeakPolarHBondContact CB-ND2 3.3Å; I389-N582 VanDerWaalsContact CD1-ND2 3.28Å; I389-N582 WeakPolarHBondContact CD1-ND2 3.39Å; I389-N582 HydrophobicContact CG2-CB 4.12Å; I389-N582 WeakPolarHBondContact CG2-ND2 3.41Å; I389-N582 VanDerWaalsContact CG2-O 3.29Å; I389-N582 WeakPolarHBondContact CG2-O 3.46Å
390	F	80.6	Confident	86.4	Confident	120 Å²	120	51.5 Å²	51.5	53%	0.526	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.5	0.5	-178.8	-51.4	-66.9	0	0	0	112.1	Q357 N388 L392	Q357-F390 HydrophobicContact CB-CE2 4.28Å; Q357-F390 HydrophobicContact CG-CE2 4.38Å; N388-F390 PolarHBondContact O-N 3.32Å; N388-F390 VanDerWaalsContact O-N 3.12Å; N388-F390 WeakPolarHBondContact OD1-CA 3.06Å; N388-F390 WeakPolarHBondContact OD1-CB 3.37Å; N388-F390 PolarHBondContact OD1-N 3.06Å; F390-L392 HydrophobicContact CB-CD1 4.08Å; F390-L392 HydrophobicContact CB-CG 3.98Å; F390-L392 PolarHBondContact O-N 3.49Å
391	G	82.2	Confident	86.4	Confident	47 Å²	47	55.2 Å²	55.2	49%	0.485	30%	0.303	S	S	.	.	S	Bend	trans	75.6	7.6	-171.8	0	0	0	0	0	114	N388	N388-G391 PolarHBondContact O-N 3.29Å; N388-G391 VanDerWaalsContact O-N 3.13Å; N388-G391 PolarHBondContact OD1-N 3.28Å
392	L	86	Confident	86.4	Confident	63 Å²	63	55.9 Å²	55.9	33%	0.33	30%	0.3	S	S	.	.			trans	-82.8	146.2	177.8	-58	174.7	0	0	0	110.3	H363 V387 N388 F390 D396 Y397	H363-L392 PolarHBondContact NE2-O 3.12Å; V387-L392 WeakPolarHBondContact CA-O 3.11Å; N388-L392 PolarHBondContact N-O 3.44Å; N388-L392 PolarHBondContact OD1-N 2.95Å; N388-L392 VanDerWaalsContact OD1-N 3.13Å; N388-L392 PolarHBondContact OD1-O 3.49Å; F390-L392 HydrophobicContact CB-CD1 4.08Å; F390-L392 HydrophobicContact CB-CG 3.98Å; F390-L392 PolarHBondContact O-N 3.49Å; L392-D396 HydrophobicContact CB-CB 4.25Å; L392-D396 HydrophobicContact CD2-CB 3.95Å; L392-Y397 HydrophobicContact CB-CE2 4.38Å
393	R	90.4	Very high	86.4	Confident	85 Å²	85	55.6 Å²	55.6	32%	0.321	30%	0.298	S	S	.	.			trans	-104.9	172.9	173.2	-56.4	164.2	-65.2	175.7	4.5	110.2	A386 V387 V395 D396	A386-R393 WeakPolarHBondContact O-CA 3.38Å; V387-R393 HydrophobicContact CG1-CG 3.63Å; R393-V395 HydrophobicContact CB-CG1 4.23Å; R393-V395 PolarHBondContact O-N 3.28Å; R393-V395 VanDerWaalsContact O-N 3.16Å; R393-D396 VanDerWaalsContact CB-OD2 3.25Å; R393-D396 WeakPolarHBondContact CB-OD2 3.49Å; R393-D396 IonicContact CZ-OD1 2.77Å; R393-D396 IonicContact CZ-OD2 3.71Å; R393-D396 PolarHBondContact N-OD2 3.29Å; R393-D396 IonicContact NE-OD1 3.51Å; R393-D396 IonicContact NE-OD2 3.68Å; R393-D396 PolarHBondContact NE-OD2 2.54Å; R393-D396 IonicContact NH2-OD1 3.3Å; R393-D396 PolarHBondContact NH2-OD1 3.46Å; R393-D396 IonicContact NH2-OD2 2.75Å; R393-D396 PolarHBondContact NH2-OD2 2.77Å; R393-D396 PolarHBondContact O-N 3.2Å
394	P	91.8	Very high	86.5	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.294	C	S	.	.	G	3₁₀ helix	trans	-57.1	-32.6	177.5	-25.9	34.8	0	0	0	114.2	L362 H363 A366 D396 Y397 L407	L362-P394 HydrophobicContact CB-CG 4.16Å; L362-P394 HydrophobicContact CD2-CB 4.25Å; L362-P394 HydrophobicContact CD2-CG 3.84Å; L362-P394 HydrophobicContact CG-CB 3.93Å; L362-P394 HydrophobicContact CG-CG 3.85Å; H363-P394 WeakPolarHBondContact NE2-CD 3.18Å; A366-P394 HydrophobicContact CB-CB 4.21Å; A366-P394 VanDerWaalsContact CB-O 3.32Å; A366-P394 WeakPolarHBondContact CB-O 3.32Å; P394-D396 VanDerWaalsContact C-N 3.34Å; P394-Y397 PolarHBondContact O-N 3.38Å; P394-L407 HydrophobicContact CB-CD1 4.27Å; P394-L407 HydrophobicContact CB-CD2 4.28Å
395	V	92.3	Very high	86.5	Confident	14 Å²	14	56.9 Å²	56.9	9%	0.085	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-69.6	-31.1	177.1	62.1	0	0	0	0	112.7	R393 Y397 T398 K404 L407 L408	R393-V395 HydrophobicContact CB-CG1 4.23Å; R393-V395 PolarHBondContact O-N 3.28Å; R393-V395 VanDerWaalsContact O-N 3.16Å; V395-Y397 PolarHBondContact O-N 3.41Å; V395-T398 PolarHBondContact O-N 3.46Å; V395-K404 HydrophobicContact CG2-CG 4.19Å; V395-L407 HydrophobicContact CB-CB 3.93Å; V395-L407 HydrophobicContact CB-CD1 4.25Å; V395-L407 HydrophobicContact CG2-CB 4.29Å; V395-L408 HydrophobicContact CG1-CD2 4.3Å; V395-L408 HydrophobicContact CG2-CD1 4.16Å; V395-L408 HydrophobicContact CG2-CD2 3.96Å; V395-L408 HydrophobicContact CG2-CG 3.85Å
396	D	90.9	Very high	86.6	Confident	72 Å²	72	54.4 Å²	54.4	39%	0.385	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-78	-0.6	-176.6	-46.8	-55.1	0	0	0	111.7	L392 R393 P394	L392-D396 HydrophobicContact CB-CB 4.25Å; L392-D396 HydrophobicContact CD2-CB 3.95Å; R393-D396 VanDerWaalsContact CB-OD2 3.25Å; R393-D396 WeakPolarHBondContact CB-OD2 3.49Å; R393-D396 IonicContact CZ-OD1 2.77Å; R393-D396 IonicContact CZ-OD2 3.71Å; R393-D396 PolarHBondContact N-OD2 3.29Å; R393-D396 IonicContact NE-OD1 3.51Å; R393-D396 IonicContact NE-OD2 3.68Å; R393-D396 PolarHBondContact NE-OD2 2.54Å; R393-D396 IonicContact NH2-OD1 3.3Å; R393-D396 PolarHBondContact NH2-OD1 3.46Å; R393-D396 IonicContact NH2-OD2 2.75Å; R393-D396 PolarHBondContact NH2-OD2 2.77Å; R393-D396 PolarHBondContact O-N 3.2Å; P394-D396 VanDerWaalsContact C-N 3.34Å
397	Y	88.4	Confident	86.8	Confident	55 Å²	55	53.9 Å²	53.9	22%	0.216	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-99	-2.6	174.1	-90.5	-70.7	0	0	0	114.8	D359 H363 K367 N388 L392 P394 V395	D359-Y397 WeakPolarHBondContact OD1-CE2 3.45Å; D359-Y397 PolarHBondContact OD1-OH 2.89Å; D359-Y397 PolarHBondContact OD2-OH 3.39Å; H363-Y397 HydrophobicContact CB-CD2 4.36Å; H363-Y397 HydrophobicContact CB-CE2 4.45Å; H363-Y397 AromaticContact CD2-CD2 3.81Å; H363-Y397 AromaticContact CD2-CE2 3.77Å; K367-Y397 HydrophobicContact CB-CD1 4.11Å; K367-Y397 HydrophobicContact CB-CG 4.13Å; K367-Y397 HydrophobicContact CD-CD1 3.78Å; K367-Y397 HydrophobicContact CD-CE1 3.8Å; K367-Y397 HydrophobicContact CD-CG 4.32Å; K367-Y397 HydrophobicContact CG-CD1 3.7Å; K367-Y397 HydrophobicContact CG-CE1 4.2Å; K367-Y397 HydrophobicContact CG-CG 4.23Å; N388-Y397 WeakPolarHBondContact ND2-CE2 3.45Å; N388-Y397 PolarHBondContact ND2-OH 2.97Å; L392-Y397 HydrophobicContact CB-CE2 4.38Å; P394-Y397 PolarHBondContact O-N 3.38Å; V395-Y397 PolarHBondContact O-N 3.41Å
398	T	87	Confident	86.9	Confident	16 Å²	16	56.8 Å²	56.8	10%	0.098	30%	0.302	C	S	.	.			trans	-133.7	127.4	-172.5	-166.2	0	0	0	0	112.2	V395 M403 K404 L407	V395-T398 PolarHBondContact O-N 3.46Å; T398-M403 HydrophobicContact CG2-CB 3.85Å; T398-M403 HydrophobicContact CG2-CG 3.55Å; T398-K404 HydrophobicContact CG2-CG 4.29Å; T398-K404 VanDerWaalsContact O-CE 3.23Å; T398-K404 WeakPolarHBondContact O-CE 3.28Å; T398-L407 HydrophobicContact CG2-CD1 4.15Å
399	D	86.4	Confident	86.6	Confident	148 Å²	148	61.7 Å²	61.7	79%	0.791	33%	0.328	S	S	*	.			trans	-88.1	-9.4	174.6	-84.1	-51.2	0	0	0	113	E401 K404	D399-E401 PolarHBondContact O-N 3.07Å; D399-K404 PolarHBondContact O-NZ 3.12Å; D399-K404 IonicContact OD1-NZ 3.37Å
400	D	88.8	Confident	85.5	Confident	84 Å²	84	65.6 Å²	65.6	45%	0.449	36%	0.355	S	S	.	.			trans	-74.3	122.7	-176.5	-174.2	-75.5	0	0	0	111.6	S402 M403 K404	D400-S402 VanDerWaalsContact C-N 3.29Å; D400-S402 PolarHBondContact O-N 3.16Å; D400-S402 WeakPolarHBondContact OD1-CA 3.23Å; D400-S402 VanDerWaalsContact OD1-CB 3.24Å; D400-S402 WeakPolarHBondContact OD1-CB 3.24Å; D400-S402 PolarHBondContact OD1-N 2.9Å; D400-S402 PolarHBondContact OD1-OG 3.28Å; D400-M403 HydrophobicContact CB-CB 4.04Å; D400-M403 PolarHBondContact O-N 3.1Å; D400-M403 PolarHBondContact OD1-N 3.04Å; D400-K404 WeakPolarHBondContact O-CB 3.1Å; D400-K404 WeakPolarHBondContact O-CG 3.46Å; D400-K404 PolarHBondContact O-N 2.88Å
401	E	86.2	Confident	84.1	Confident	136 Å²	136	65.8 Å²	65.8	64%	0.636	36%	0.358	S	S	*	.	H	α-helix	trans	-65.5	-27.9	-177.1	-66.2	-57.7	137.2	0	0	113.5	D399 K404 S405	D399-E401 PolarHBondContact O-N 3.07Å; E401-K404 WeakPolarHBondContact OE1-CD 3.16Å; E401-K404 IonicContact OE1-NZ 3.45Å; E401-K404 PolarHBondContact OE1-NZ 3.39Å; E401-S405 VanDerWaalsContact O-CB 3.3Å; E401-S405 WeakPolarHBondContact O-CB 3.47Å; E401-S405 PolarHBondContact O-N 2.89Å
402	S	86.4	Confident	82	Confident	60 Å²	60	71.9 Å²	71.9	42%	0.42	37%	0.371	S	S	.	.	H	α-helix	trans	-70.7	-42.3	173.5	80.5	0	0	0	0	110.9	D400 S405 L406	D400-S402 VanDerWaalsContact C-N 3.29Å; D400-S402 PolarHBondContact O-N 3.16Å; D400-S402 WeakPolarHBondContact OD1-CA 3.23Å; D400-S402 VanDerWaalsContact OD1-CB 3.24Å; D400-S402 WeakPolarHBondContact OD1-CB 3.24Å; D400-S402 PolarHBondContact OD1-N 2.9Å; D400-S402 PolarHBondContact OD1-OG 3.28Å; S402-S405 PolarHBondContact O-N 3.25Å; S402-S405 PolarHBondContact O-OG 3.42Å; S402-L406 WeakPolarHBondContact O-CG 3.22Å; S402-L406 PolarHBondContact O-N 2.91Å; S402-L406 VanDerWaalsContact O-N 3.14Å
403	M	90.6	Very high	79.6	Confident	1 Å²	1	75.6 Å²	75.6	1%	0.005	39%	0.391	C	S	.	.	H	α-helix	trans	-67.1	-45.4	175.6	-167.3	72.4	88	0	0	111.8	V371 V374 T398 D400 S405 L406 L407	V371-M403 HydrophobicContact CB-CE 4.28Å; V371-M403 HydrophobicContact CG2-CE 3.57Å; V371-M403 HydrophobicContact CG2-SD 4.05Å; V374-M403 HydrophobicContact CB-SD 3.83Å; V374-M403 HydrophobicContact CG1-SD 3.84Å; V374-M403 HydrophobicContact CG2-CE 3.98Å; V374-M403 HydrophobicContact CG2-SD 3.63Å; T398-M403 HydrophobicContact CG2-CB 3.85Å; T398-M403 HydrophobicContact CG2-CG 3.55Å; D400-M403 HydrophobicContact CB-CB 4.04Å; D400-M403 PolarHBondContact O-N 3.1Å; D400-M403 PolarHBondContact OD1-N 3.04Å; M403-S405 VanDerWaalsContact C-N 3.33Å; M403-S405 PolarHBondContact O-N 3.47Å; M403-L406 PolarHBondContact O-N 3Å; M403-L407 HydrophobicContact CG-CD1 3.94Å; M403-L407 WeakPolarHBondContact O-CG 3.41Å; M403-L407 PolarHBondContact O-N 3.47Å
404	K	89.8	Confident	76.8	Confident	40 Å²	40	78.2 Å²	78.2	17%	0.174	41%	0.407	C	S	.	.	H	α-helix	trans	-54.6	-47.7	171.7	-75.8	162.8	170.6	160.3	0	111	V395 T398 D399 D400 E401 L406 L407 L408	V395-K404 HydrophobicContact CG2-CG 4.19Å; T398-K404 HydrophobicContact CG2-CG 4.29Å; T398-K404 VanDerWaalsContact O-CE 3.23Å; T398-K404 WeakPolarHBondContact O-CE 3.28Å; D399-K404 PolarHBondContact O-NZ 3.12Å; D399-K404 IonicContact OD1-NZ 3.37Å; D400-K404 WeakPolarHBondContact O-CB 3.1Å; D400-K404 WeakPolarHBondContact O-CG 3.46Å; D400-K404 PolarHBondContact O-N 2.88Å; E401-K404 WeakPolarHBondContact OE1-CD 3.16Å; E401-K404 IonicContact OE1-NZ 3.45Å; E401-K404 PolarHBondContact OE1-NZ 3.39Å; K404-L406 VanDerWaalsContact C-N 3.32Å; K404-L406 PolarHBondContact O-N 3.32Å; K404-L407 CarbonylContact O-C 3.56Å; K404-L407 PolarHBondContact O-N 2.8Å; K404-L407 VanDerWaalsContact O-N 3.13Å; K404-L408 HydrophobicContact CB-CD1 4.27Å; K404-L408 VanDerWaalsContact O-CB 3.25Å; K404-L408 WeakPolarHBondContact O-CB 3.45Å; K404-L408 VanDerWaalsContact O-CG 3.29Å; K404-L408 WeakPolarHBondContact O-CG 3.29Å; K404-L408 PolarHBondContact O-N 3.22Å
405	S	88.4	Confident	74	Confident	62 Å²	62	82.8 Å²	82.8	43%	0.434	44%	0.439	S	S	.	.	H	α-helix	trans	-57.3	-45.6	178.6	79.6	0	0	0	0	111.7	E401 S402 M403 L407 L408 L409	E401-S405 VanDerWaalsContact O-CB 3.3Å; E401-S405 WeakPolarHBondContact O-CB 3.47Å; E401-S405 PolarHBondContact O-N 2.89Å; S402-S405 PolarHBondContact O-N 3.25Å; S402-S405 PolarHBondContact O-OG 3.42Å; M403-S405 VanDerWaalsContact C-N 3.33Å; M403-S405 PolarHBondContact O-N 3.47Å; S405-L407 VanDerWaalsContact C-N 3.31Å; S405-L407 PolarHBondContact O-N 3.22Å; S405-L408 PolarHBondContact O-N 3.08Å; S405-L409 WeakPolarHBondContact O-CD2 3.46Å; S405-L409 VanDerWaalsContact O-CG 3.25Å; S405-L409 WeakPolarHBondContact O-CG 3.36Å; S405-L409 PolarHBondContact O-N 3Å; S405-L409 VanDerWaalsContact O-N 3.14Å
406	L	87.8	Confident	71.5	Confident	41 Å²	41	87.3 Å²	87.3	22%	0.215	47%	0.471	C	S	.	.	H	α-helix	trans	-64.4	-31.9	178.6	-72.1	170.6	0	0	0	113	V371 K375 R384 S402 M403 K404	V371-L406 HydrophobicContact CG1-CD1 3.77Å; K375-L406 HydrophobicContact CG-CD1 4.18Å; K375-L406 HydrophobicContact CG-CD2 4.47Å; R384-L406 VanDerWaalsContact CZ-O 3.24Å; R384-L406 PolarHBondContact NH1-O 2.75Å; R384-L406 PolarHBondContact NH2-O 3.07Å; S402-L406 WeakPolarHBondContact O-CG 3.22Å; S402-L406 PolarHBondContact O-N 2.91Å; S402-L406 VanDerWaalsContact O-N 3.14Å; M403-L406 PolarHBondContact O-N 3Å; K404-L406 VanDerWaalsContact C-N 3.32Å; K404-L406 PolarHBondContact O-N 3.32Å
407	L	88.3	Confident	68.7	Low	9 Å²	9	88.4 Å²	88.4	5%	0.047	48%	0.484	C	S	.	.	H	α-helix	trans	-90.5	-19.1	179.9	-65	168.9	0	0	0	114	L362 A366 V374 L378 R384 P394 V395 T398 M403 K404 S405	L362-L407 HydrophobicContact CD1-CD2 4.17Å; L362-L407 HydrophobicContact CD2-CD2 4.19Å; L362-L407 HydrophobicContact CG-CD2 4.26Å; A366-L407 HydrophobicContact CB-CD1 3.83Å; V374-L407 HydrophobicContact CG1-CD2 3.87Å; V374-L407 HydrophobicContact CG1-CG 4.3Å; L378-L407 HydrophobicContact CD1-CD2 4.4Å; R384-L407 PolarHBondContact NH2-O 2.8Å; R384-L407 VanDerWaalsContact NH2-O 3.09Å; P394-L407 HydrophobicContact CB-CD1 4.27Å; P394-L407 HydrophobicContact CB-CD2 4.28Å; V395-L407 HydrophobicContact CB-CB 3.93Å; V395-L407 HydrophobicContact CB-CD1 4.25Å; V395-L407 HydrophobicContact CG2-CB 4.29Å; T398-L407 HydrophobicContact CG2-CD1 4.15Å; M403-L407 HydrophobicContact CG-CD1 3.94Å; M403-L407 WeakPolarHBondContact O-CG 3.41Å; M403-L407 PolarHBondContact O-N 3.47Å; K404-L407 CarbonylContact O-C 3.56Å; K404-L407 PolarHBondContact O-N 2.8Å; K404-L407 VanDerWaalsContact O-N 3.13Å; S405-L407 VanDerWaalsContact C-N 3.31Å; S405-L407 PolarHBondContact O-N 3.22Å
408	L	85.1	Confident	66.4	Low	106 Å²	106	91 Å²	91	56%	0.555	52%	0.518	S	S	*	.	H	α-helix	trans	-101.4	-8	-179.6	-67.4	173.8	0	0	0	115.4	V395 K404 S405	V395-L408 HydrophobicContact CG1-CD2 4.3Å; V395-L408 HydrophobicContact CG2-CD1 4.16Å; V395-L408 HydrophobicContact CG2-CD2 3.96Å; V395-L408 HydrophobicContact CG2-CG 3.85Å; K404-L408 HydrophobicContact CB-CD1 4.27Å; K404-L408 VanDerWaalsContact O-CB 3.25Å; K404-L408 WeakPolarHBondContact O-CB 3.45Å; K404-L408 VanDerWaalsContact O-CG 3.29Å; K404-L408 WeakPolarHBondContact O-CG 3.29Å; K404-L408 PolarHBondContact O-N 3.22Å; S405-L408 PolarHBondContact O-N 3.08Å
409	L	75.3	Confident	63.7	Low	103 Å²	103	95.5 Å²	95.5	54%	0.539	55%	0.549	S	S	.	.	S	Bend	trans	-48.3	136.1	168.2	-51.2	-178.3	0	0	0	110	R384 S405	R384-L409 PolarHBondContact NE-O 3.17Å; R384-L409 VanDerWaalsContact NH2-CB 3.33Å; R384-L409 PolarHBondContact NH2-O 3.22Å; S405-L409 WeakPolarHBondContact O-CD2 3.46Å; S405-L409 VanDerWaalsContact O-CG 3.25Å; S405-L409 WeakPolarHBondContact O-CG 3.36Å; S405-L409 PolarHBondContact O-N 3Å; S405-L409 VanDerWaalsContact O-N 3.14Å
410	P	53	Low	61	Low	116 Å²	116	96.6 Å²	96.6	75%	0.753	55%	0.55	S	S	*	.	P	Polyproline II helix	trans	-56.1	148.9	171.3	-24	33.8	0	0	0	111.3	K412	P410-K412 PolarHBondContact O-N 2.81Å; P410-K412 VanDerWaalsContact O-N 3.15Å
411	E	52.1	Low	58	Low	123 Å²	123	98.9 Å²	98.9	58%	0.575	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-59.7	118.6	162.4	-70.2	172.8	-165.5	0	0	107.7	N385 N413	N385-E411 PolarHBondContact ND2-OE1 2.89Å; E411-N413 PolarHBondContact O-N 3.13Å
412	K	37.7	Very low	55.6	Low	175 Å²	175	96.8 Å²	96.8	76%	0.761	57%	0.571	S	S	*	*			trans	-64.2	110.2	164.9	-86.3	-172.8	172.4	-173.3	0	106.7	P410 E414	P410-K412 PolarHBondContact O-N 2.81Å; P410-K412 VanDerWaalsContact O-N 3.15Å; K412-E414 VanDerWaalsContact C-N 3.32Å; K412-E414 PolarHBondContact O-N 2.83Å
413	N	34	Very low	53.2	Low	142 Å²	142	99.6 Å²	99.6	76%	0.759	59%	0.585	S	S	*	*			trans	-61	98.6	163.7	-77.2	-29.6	0	0	0	107.7	E411 S415	E411-N413 PolarHBondContact O-N 3.13Å; N413-S415 PolarHBondContact O-N 3.04Å; N413-S415 PolarHBondContact O-OG 3.39Å
414	E	33.2	Very low	50.6	Low	139 Å²	139	105.8 Å²	105.8	65%	0.65	62%	0.616	S	S	*	*			trans	-72.1	45.3	177.1	-79.8	-73.3	145.4	0	0	111.8	K412 S416	K412-E414 VanDerWaalsContact C-N 3.32Å; K412-E414 PolarHBondContact O-N 2.83Å; E414-S416 VanDerWaalsContact C-N 3.31Å; E414-S416 PolarHBondContact O-N 3.03Å; E414-S416 VanDerWaalsContact O-N 3.14Å
415	S	33.5	Very low	47.7	Very low	96 Å²	96	109.2 Å²	109.2	67%	0.671	64%	0.636	S	S	*	*	S	Bend	trans	-73.9	91.2	153.5	56.1	0	0	0	0	108.1	N413	N413-S415 PolarHBondContact O-N 3.04Å; N413-S415 PolarHBondContact O-OG 3.39Å
416	S	38.8	Very low	45.2	Very low	110 Å²	110	112.7 Å²	112.7	77%	0.769	66%	0.655	S	S	*	*	S	Bend	trans	58.6	99.6	169.3	59.6	0	0	0	0	118.3	E414	E414-S416 VanDerWaalsContact C-N 3.31Å; E414-S416 PolarHBondContact O-N 3.03Å; E414-S416 VanDerWaalsContact O-N 3.14Å
417	S	31.5	Very low	42.7	Very low	94 Å²	94	113.8 Å²	113.8	66%	0.657	68%	0.676	S	S	*	*				-175.4	125.2	109.6	54.3	0	0	0	0	112.2
418	A	40.8	Very low	40.3	Very low	111 Å²	111	119 Å²	119	92%	0.917	70%	0.7	S	S	*	*			trans	-77.6	125.3	-178.7	0	0	0	0	0	112.7
419	S	29.1	Very low	38.6	Very low	109 Å²	109	119.6 Å²	119.6	76%	0.762	70%	0.695	S	S	*	*			trans	-154.6	68.2	168.5	-178.6	0	0	0	0	112.7
420	H	31.1	Very low	37.6	Very low	172 Å²	172	119.8 Å²	119.8	80%	0.796	69%	0.688	S	S	*	*			trans	46.6	106.4	162.4	-75.9	-94.1	0	0	0	119.7
421	C	24.9	Very low	37.5	Very low	131 Å²	131	121.6 Å²	121.6	89%	0.885	69%	0.692	S	S	*	*				-137.2	135.4	102.7	-158.8	0	0	0	0	108.9
422	S	36.9	Very low	38.2	Very low	93 Å²	93	117.8 Å²	117.8	65%	0.65	69%	0.686	S	S	*	*			trans	-109.3	69.7	-150.9	54.7	0	0	0	0	114.9
423	V	36.4	Very low	40.5	Very low	118 Å²	118	114 Å²	114	72%	0.715	68%	0.679	S	S	*	*			trans	-137.8	43.1	170.7	-156.3	0	0	0	0	113.3
424	M	34.4	Very low	43.3	Very low	131 Å²	131	109 Å²	109	65%	0.645	65%	0.652	S	S	*	*			trans	-140	98.2	155.5	-81.3	-157.3	175.9	0	0	110.2	T426	M424-T426 HydrophobicContact CB-CG2 4.44Å; M424-T426 PolarHBondContact O-N 3.22Å
425	N	30.3	Very low	46.3	Very low	112 Å²	112	102.6 Å²	102.6	60%	0.599	62%	0.623	S	S	*	*			trans	-85.6	84.9	175.9	-127.9	-26	0	0	0	108.9	G427 Q428	N425-G427 PolarHBondContact O-N 3.01Å; N425-Q428 HydrophobicContact CB-CB 4.12Å; N425-Q428 HydrophobicContact CB-CG 3.89Å; N425-Q428 VanDerWaalsContact CB-OE1 3.23Å; N425-Q428 PolarHBondContact ND2-OE1 2.69Å; N425-Q428 PolarHBondContact O-N 2.89Å
426	T	34.2	Very low	49.4	Very low	136 Å²	136	98 Å²	98	83%	0.834	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.4	50.1	-177.1	61.6	0	0	0	0	112.6	M424	M424-T426 HydrophobicContact CB-CG2 4.44Å; M424-T426 PolarHBondContact O-N 3.22Å
427	G	35.5	Very low	52.2	Low	63 Å²	63	92.8 Å²	92.8	65%	0.649	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	171.7	-3.6	-169.5	0	0	0	0	0	115	N425 R429	N425-G427 PolarHBondContact O-N 3.01Å; G427-R429 PolarHBondContact O-N 3.35Å
428	Q	38	Very low	55.3	Low	118 Å²	118	88.6 Å²	88.6	55%	0.551	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-73.9	123.6	163.4	-83.5	-176.3	-65.2	0	0	109.4	N425 R430	N425-Q428 HydrophobicContact CB-CB 4.12Å; N425-Q428 HydrophobicContact CB-CG 3.89Å; N425-Q428 VanDerWaalsContact CB-OE1 3.23Å; N425-Q428 PolarHBondContact ND2-OE1 2.69Å; N425-Q428 PolarHBondContact O-N 2.89Å; Q428-R430 PolarHBondContact O-N 3.31Å
429	R	50.6	Low	58	Low	119 Å²	119	83.4 Å²	83.4	45%	0.449	48%	0.482	S	S	.	.	P	Polyproline II helix	trans	-53.8	133.4	159.4	-74	-178.4	171.8	132	3.8	107.8	G427 D431 C509 E510 E512	G427-R429 PolarHBondContact O-N 3.35Å; R429-D431 PolarHBondContact O-N 3.38Å; R429-C509 PolarHBondContact NH1-O 3.48Å; R429-C509 PolarHBondContact NH2-O 3.34Å; R429-C509 PolarHBondContact NH2-SG 3.18Å; R429-C509 VanDerWaalsContact NH2-SG 3.42Å; R429-E510 PolarHBondContact NH2-O 3.5Å; R429-E512 IonicContact CZ-OE1 3.87Å; R429-E512 IonicContact CZ-OE2 2.93Å; R429-E512 IonicContact NE-OE1 3.24Å; R429-E512 PolarHBondContact NE-OE1 3.07Å; R429-E512 IonicContact NE-OE2 2.68Å; R429-E512 PolarHBondContact NE-OE2 3.49Å; R429-E512 VanDerWaalsContact NH2-CD 3.33Å; R429-E512 IonicContact NH2-OE1 3.8Å; R429-E512 PolarHBondContact NH2-OE1 2.94Å; R429-E512 IonicContact NH2-OE2 3.8Å; R429-E512 PolarHBondContact NH2-OE2 3.38Å
430	R	54.4	Low	61.1	Low	107 Å²	107	80.8 Å²	80.8	40%	0.404	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-57	126.2	175	-51.7	178.2	-163.2	161.7	10.4	107.7	Q428 G432 G491 E529	Q428-R430 PolarHBondContact O-N 3.31Å; R430-G432 PolarHBondContact O-N 3.35Å; R430-G491 PolarHBondContact NH2-O 2.92Å; R430-E529 IonicContact NH2-OE1 3.93Å; R430-E529 PolarHBondContact NH2-OE1 2.93Å
431	D	49.9	Very low	64.1	Low	154 Å²	154	73.5 Å²	73.5	82%	0.824	44%	0.439	S	S	*	.	S	Bend	trans	-70.4	33.8	-175.4	-55.5	-78.8	0	0	0	114.8	R429	R429-D431 PolarHBondContact O-N 3.38Å
432	G	67	Low	67.6	Low	44 Å²	44	70.1 Å²	70.1	45%	0.454	42%	0.417	S	S	.	.	S	Bend	trans	-102.8	159.6	173.8	0	0	0	0	0	112	R430 L434	R430-G432 PolarHBondContact O-N 3.35Å; G432-L434 PolarHBondContact O-N 3.18Å
433	P	86.6	Confident	70.4	Confident	94 Å²	94	70.5 Å²	70.5	61%	0.61	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-61.6	136.4	177.8	26.7	-34.7	0	0	0	111.3
434	L	92.9	Very high	73.3	Confident	39 Å²	39	69.8 Å²	69.8	20%	0.204	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-66.7	134.9	175.2	-66.1	176.6	0	0	0	110.5	G432 L456 A458 K459	G432-L434 PolarHBondContact O-N 3.18Å; L434-L456 HydrophobicContact CD1-CB 4.22Å; L434-L456 HydrophobicContact CD1-CD1 4.28Å; L434-A458 HydrophobicContact CB-CB 3.51Å; L434-A458 CarbonylContact O-C 3.49Å; L434-A458 WeakPolarHBondContact O-CA 3.41Å; L434-A458 WeakPolarHBondContact O-CB 3.47Å; L434-K459 PolarHBondContact O-N 3.05Å
435	V	96.3	Very high	76.3	Confident	4 Å²	4	65.1 Å²	65.1	2%	0.024	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	110.7	177.5	-175.3	0	0	0	0	108.3	K459 Y461 T467 V468 T469 H470	V435-K459 WeakPolarHBondContact CA-O 3.01Å; V435-K459 HydrophobicContact CG1-CB 4.4Å; V435-K459 HydrophobicContact CG2-CB 4.28Å; V435-K459 HydrophobicContact CG2-CD 4.49Å; V435-Y461 HydrophobicContact CG1-CD2 3.7Å; V435-Y461 HydrophobicContact CG1-CE2 3.66Å; V435-Y461 HydrophobicContact CG1-CG 4.16Å; V435-T467 WeakPolarHBondContact CB-O 3.39Å; V435-T467 WeakPolarHBondContact CG2-O 3.36Å; V435-V468 HydrophobicContact CG1-CG2 4.16Å; V435-T469 PolarHBondContact N-OG1 3.43Å; V435-T469 PolarHBondContact O-N 3.24Å; V435-T469 PolarHBondContact O-OG1 2.88Å; V435-H470 PolarHBondContact O-N 3.23Å
436	L	97.3	Very high	79.4	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.2	-173.9	-45	-176.9	0	0	0	111	L449 A453 A458 K459 K460 Y461 H470 W499	L436-L449 HydrophobicContact CB-CD1 4.18Å; L436-L449 HydrophobicContact CD1-CD1 3.91Å; L436-A453 HydrophobicContact CD1-CB 4.1Å; L436-A458 HydrophobicContact CD1-CB 4.15Å; L436-A458 HydrophobicContact CG-CB 4.02Å; L436-K459 PolarHBondContact N-O 3.38Å; L436-K460 WeakPolarHBondContact O-CA 3.38Å; L436-Y461 PolarHBondContact O-N 3.22Å; L436-H470 HydrophobicContact CD2-CB 3.68Å; L436-W499 HydrophobicContact CD2-CH2 4.08Å; L436-W499 HydrophobicContact CD2-CZ3 4.47Å
437	I	97.8	Very high	82.4	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	143.3	170	-169	173.1	0	0	0	110.8	E463 F464 V468 H470 V471 V472 K483	I437-E463 VanDerWaalsContact CD1-C 3.41Å; I437-E463 WeakPolarHBondContact CD1-O 3.38Å; I437-F464 HydrophobicContact CD1-CB 4.1Å; I437-F464 HydrophobicContact CD1-CD2 4.42Å; I437-F464 HydrophobicContact CG2-CD2 4.49Å; I437-V468 HydrophobicContact CB-CG1 4.48Å; I437-V468 HydrophobicContact CG2-CG1 3.63Å; I437-V468 HydrophobicContact CG2-CG2 4.33Å; I437-H470 PolarHBondContact N-O 3.28Å; I437-V471 HydrophobicContact CG2-CB 4.11Å; I437-V471 HydrophobicContact CG2-CG1 4.14Å; I437-V471 HydrophobicContact CG2-CG2 3.72Å; I437-V471 WeakPolarHBondContact O-CA 3.49Å; I437-V472 PolarHBondContact O-N 2.59Å; I437-K483 HydrophobicContact CD1-CD 4Å; I437-K483 HydrophobicContact CD1-CG 4.39Å
438	G	96.9	Very high	85.4	Confident	5 Å²	5	61.2 Å²	61.2	5%	0.052	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.2	176.3	0	0	0	0	0	112.1
439	S	96.9	Very high	88.2	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.021	31%	0.31	C	S	.	.	S	Bend	trans	-119.8	118.4	178.1	-177.6	0	0	0	0	110.5	L441 V472 P474 T481 C484	S439-L441 PolarHBondContact O-N 2.89Å; S439-V472 PolarHBondContact N-O 2.87Å; S439-P474 VanDerWaalsContact O-CD 3.27Å; S439-P474 WeakPolarHBondContact O-CD 3.42Å; S439-T481 PolarHBondContact OG-OG1 3.1Å; S439-C484 PolarHBondContact OG-SG 2.98Å
440	G	94.3	Very high	90.4	Very high	54 Å²	54	52.4 Å²	52.4	56%	0.557	31%	0.305	S	S	*	.	S	Bend	trans	70.2	6.7	-177.3	0	0	0	0	0	115.5
441	L	95.7	Very high	92.4	Very high	18 Å²	18	52.5 Å²	52.5	9%	0.094	31%	0.31	C	S	.	.			trans	-72	140.1	178.8	-60.8	-171.1	0	0	0	112.3	S439 Q445 Q446 L449 V472 P474 F497	S439-L441 PolarHBondContact O-N 2.89Å; L441-Q445 HydrophobicContact CB-CB 3.83Å; L441-Q445 HydrophobicContact CD1-CB 4.36Å; L441-Q445 HydrophobicContact CD2-CB 4.27Å; L441-Q445 HydrophobicContact CG-CB 4.38Å; L441-Q446 HydrophobicContact CB-CG 4.02Å; L441-L449 HydrophobicContact CD1-CD2 3.8Å; L441-V472 HydrophobicContact CD1-CB 4.3Å; L441-V472 HydrophobicContact CD1-CG1 4.27Å; L441-V472 HydrophobicContact CD2-CG1 4.38Å; L441-P474 HydrophobicContact CD2-CB 3.95Å; L441-F497 HydrophobicContact CD1-CD2 4.19Å; L441-F497 HydrophobicContact CD1-CE2 4.32Å; L441-F497 HydrophobicContact CD2-CD2 3.84Å; L441-F497 HydrophobicContact CD2-CG 4.49Å
442	S	96.9	Very high	94.7	Very high	61 Å²	61	45.1 Å²	45.1	43%	0.427	27%	0.271	S	S	.	.			trans	-65.8	164	171.3	80.1	0	0	0	0	112.4	E444 Q445 Q446	S442-E444 PolarHBondContact O-N 3.13Å; S442-E444 VanDerWaalsContact O-N 3.14Å; S442-Q445 PolarHBondContact O-N 2.76Å; S442-Q445 VanDerWaalsContact O-N 3.14Å; S442-Q445 WeakPolarHBondContact OG-CG 3.46Å; S442-Q445 PolarHBondContact OG-N 2.85Å; S442-Q445 PolarHBondContact OG-OE1 3.23Å; S442-Q446 WeakPolarHBondContact O-CB 3.31Å; S442-Q446 WeakPolarHBondContact O-CG 3.31Å; S442-Q446 PolarHBondContact O-N 3.08Å
443	S	96.6	Very high	96.1	Very high	101 Å²	101	43.3 Å²	43.3	71%	0.706	25%	0.252	S	S	*	.	H	α-helix	trans	-54.9	-32.8	177.9	-51.2	0	0	0	0	113.4	K447	S443-K447 WeakPolarHBondContact O-CG 3.47Å; S443-K447 PolarHBondContact O-N 3.02Å
444	E	96.8	Very high	96.5	Very high	103 Å²	103	44.4 Å²	44.4	48%	0.481	26%	0.256	S	S	.	.	H	α-helix	trans	-77.6	-43.6	177.9	-158.8	58.4	-141.4	0	0	111.8	S442 Q446 K447 M448	S442-E444 PolarHBondContact O-N 3.13Å; S442-E444 VanDerWaalsContact O-N 3.14Å; E444-Q446 PolarHBondContact O-N 3.41Å; E444-K447 WeakPolarHBondContact O-CB 3.33Å; E444-K447 PolarHBondContact O-N 2.98Å; E444-K447 IonicContact OE1-NZ 2.68Å; E444-K447 WeakPolarHBondContact OE2-CE 3.26Å; E444-K447 IonicContact OE2-NZ 3.69Å; E444-K447 PolarHBondContact OE2-NZ 3.06Å; E444-M448 PolarHBondContact O-N 3.43Å
445	Q	96.8	Very high	96.6	Very high	33 Å²	33	45.6 Å²	45.6	15%	0.154	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-34	172.2	-69.2	178	-59.2	0	0	111.7	L441 S442 L449 F497	L441-Q445 HydrophobicContact CB-CB 3.83Å; L441-Q445 HydrophobicContact CD1-CB 4.36Å; L441-Q445 HydrophobicContact CD2-CB 4.27Å; L441-Q445 HydrophobicContact CG-CB 4.38Å; S442-Q445 PolarHBondContact O-N 2.76Å; S442-Q445 VanDerWaalsContact O-N 3.14Å; S442-Q445 WeakPolarHBondContact OG-CG 3.46Å; S442-Q445 PolarHBondContact OG-N 2.85Å; S442-Q445 PolarHBondContact OG-OE1 3.23Å; Q445-L449 WeakPolarHBondContact O-CB 3.31Å; Q445-L449 PolarHBondContact O-N 3.02Å; Q445-F497 HydrophobicContact CB-CD2 4.11Å; Q445-F497 HydrophobicContact CB-CE1 4.34Å; Q445-F497 HydrophobicContact CB-CE2 3.54Å; Q445-F497 HydrophobicContact CB-CZ 3.68Å; Q445-F497 HydrophobicContact CG-CD1 4.15Å; Q445-F497 HydrophobicContact CG-CD2 4.22Å; Q445-F497 HydrophobicContact CG-CE1 3.78Å; Q445-F497 HydrophobicContact CG-CE2 3.86Å; Q445-F497 HydrophobicContact CG-CG 4.37Å; Q445-F497 HydrophobicContact CG-CZ 3.64Å
446	Q	96.5	Very high	96.5	Very high	52 Å²	52	46.8 Å²	46.8	24%	0.243	27%	0.268	C	S	.	.	H	α-helix	trans	-66.9	-36.8	173.7	-74.4	-73.3	-1.6	0	0	112.9	L441 S442 E444 S450 K460	L441-Q446 HydrophobicContact CB-CG 4.02Å; S442-Q446 WeakPolarHBondContact O-CB 3.31Å; S442-Q446 WeakPolarHBondContact O-CG 3.31Å; S442-Q446 PolarHBondContact O-N 3.08Å; E444-Q446 PolarHBondContact O-N 3.41Å; Q446-S450 PolarHBondContact O-N 3.13Å; Q446-S450 VanDerWaalsContact O-N 3.13Å; Q446-S450 PolarHBondContact O-OG 3.02Å; Q446-K460 PolarHBondContact O-NZ 3.44Å
447	K	97.1	Very high	96.3	Very high	123 Å²	123	56.1 Å²	56.1	54%	0.535	31%	0.309	S	S	.	.	H	α-helix	trans	-65.4	-49.3	172.6	-66.3	175.6	-162.6	162.8	0	111.1	S443 E444 L449 S450 E451	S443-K447 WeakPolarHBondContact O-CG 3.47Å; S443-K447 PolarHBondContact O-N 3.02Å; E444-K447 WeakPolarHBondContact O-CB 3.33Å; E444-K447 PolarHBondContact O-N 2.98Å; E444-K447 IonicContact OE1-NZ 2.68Å; E444-K447 WeakPolarHBondContact OE2-CE 3.26Å; E444-K447 IonicContact OE2-NZ 3.69Å; E444-K447 PolarHBondContact OE2-NZ 3.06Å; K447-L449 PolarHBondContact O-N 3.47Å; K447-S450 WeakPolarHBondContact O-CA 3.4Å; K447-S450 VanDerWaalsContact O-CB 3.32Å; K447-S450 WeakPolarHBondContact O-CB 3.48Å; K447-S450 PolarHBondContact O-N 3.12Å; K447-E451 PolarHBondContact O-N 2.75Å
448	M	97.7	Very high	96.1	Very high	53 Å²	53	56.8 Å²	56.8	26%	0.261	32%	0.315	S	S	.	.	H	α-helix	trans	-56.4	-37.6	177.1	-67.6	-179.9	71.4	0	0	112.2	E444 E451 L452 F497 V500 K501 L504	E444-M448 PolarHBondContact O-N 3.43Å; M448-E451 PolarHBondContact O-N 2.92Å; M448-L452 WeakPolarHBondContact O-CB 3.14Å; M448-L452 PolarHBondContact O-N 2.9Å; M448-F497 HydrophobicContact CB-CZ 3.91Å; M448-F497 HydrophobicContact CE-CE1 4.14Å; M448-F497 HydrophobicContact CE-CZ 4.1Å; M448-F497 HydrophobicContact CG-CZ 4.44Å; M448-F497 HydrophobicContact SD-CE1 3.99Å; M448-F497 HydrophobicContact SD-CZ 3.74Å; M448-V500 HydrophobicContact CB-CG1 4.24Å; M448-K501 HydrophobicContact CE-CG 4.31Å; M448-L504 HydrophobicContact CB-CD1 3.91Å; M448-L504 HydrophobicContact CE-CD1 3.69Å; M448-L504 HydrophobicContact CG-CD1 4.36Å
449	L	97.3	Very high	96.1	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-69.9	-31.6	174.2	-174.2	60.9	0	0	0	112.9	L436 L441 Q445 K447 A453 K460 V472 V500	L436-L449 HydrophobicContact CB-CD1 4.18Å; L436-L449 HydrophobicContact CD1-CD1 3.91Å; L441-L449 HydrophobicContact CD1-CD2 3.8Å; Q445-L449 WeakPolarHBondContact O-CB 3.31Å; Q445-L449 PolarHBondContact O-N 3.02Å; K447-L449 PolarHBondContact O-N 3.47Å; L449-A453 WeakPolarHBondContact O-CB 3.46Å; L449-A453 PolarHBondContact O-N 3.33Å; L449-A453 VanDerWaalsContact O-N 3.1Å; L449-K460 HydrophobicContact CG-CD 4.34Å; L449-V472 HydrophobicContact CD1-CG2 3.96Å; L449-V472 HydrophobicContact CD2-CB 4.49Å; L449-V500 HydrophobicContact CD1-CG2 4.01Å
450	S	97.1	Very high	96	Very high	52 Å²	52	64.6 Å²	64.6	36%	0.364	35%	0.347	S	S	.	.	H	α-helix	trans	-69.6	-43.4	171.9	-60.4	0	0	0	0	111.9	Q446 K447 A453 V454 K460	Q446-S450 PolarHBondContact O-N 3.13Å; Q446-S450 VanDerWaalsContact O-N 3.13Å; Q446-S450 PolarHBondContact O-OG 3.02Å; K447-S450 WeakPolarHBondContact O-CA 3.4Å; K447-S450 VanDerWaalsContact O-CB 3.32Å; K447-S450 WeakPolarHBondContact O-CB 3.48Å; K447-S450 PolarHBondContact O-N 3.12Å; S450-A453 WeakPolarHBondContact O-CB 3.03Å; S450-A453 PolarHBondContact O-N 2.85Å; S450-V454 PolarHBondContact O-N 2.66Å; S450-K460 WeakPolarHBondContact OG-CD 3.35Å; S450-K460 PolarHBondContact OG-NZ 3.27Å
451	E	97.1	Very high	96.1	Very high	109 Å²	109	65.6 Å²	65.6	51%	0.509	33%	0.334	S	S	.	.	H	α-helix	trans	-58.7	-47	175.2	-175.1	-171.8	172.4	0	0	111	K447 M448 A453 V454 I455 L504	K447-E451 PolarHBondContact O-N 2.75Å; M448-E451 PolarHBondContact O-N 2.92Å; E451-A453 VanDerWaalsContact C-N 3.32Å; E451-A453 PolarHBondContact O-N 3.39Å; E451-V454 PolarHBondContact O-N 3.39Å; E451-I455 HydrophobicContact CG-CD1 4.16Å; E451-I455 PolarHBondContact O-N 2.86Å; E451-I455 VanDerWaalsContact O-N 3.14Å; E451-L504 HydrophobicContact CB-CD2 4.23Å; E451-L504 HydrophobicContact CG-CD2 3.92Å
452	L	97.3	Very high	95.9	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-62.2	-39	176.5	-178.7	60.4	0	0	0	112.3	M448 V454 I455 L456 W499 V500 C503 L504	M448-L452 WeakPolarHBondContact O-CB 3.14Å; M448-L452 PolarHBondContact O-N 2.9Å; L452-V454 VanDerWaalsContact C-N 3.29Å; L452-V454 PolarHBondContact O-N 3.42Å; L452-I455 PolarHBondContact O-N 3.14Å; L452-L456 HydrophobicContact CD1-CD1 3.8Å; L452-L456 HydrophobicContact CD1-CD2 4.19Å; L452-L456 HydrophobicContact CD1-CG 3.67Å; L452-L456 HydrophobicContact CD2-CD1 4.34Å; L452-L456 HydrophobicContact CG-CD1 3.9Å; L452-L456 HydrophobicContact CG-CG 4.1Å; L452-L456 WeakPolarHBondContact O-CG 3.39Å; L452-L456 PolarHBondContact O-N 2.98Å; L452-W499 HydrophobicContact CD2-CE3 4.08Å; L452-W499 HydrophobicContact CD2-CH2 4.17Å; L452-W499 HydrophobicContact CD2-CZ3 3.67Å; L452-V500 HydrophobicContact CB-CG1 4.35Å; L452-V500 HydrophobicContact CD2-CB 4.14Å; L452-V500 HydrophobicContact CD2-CG1 3.92Å; L452-V500 HydrophobicContact CD2-CG2 4.07Å; L452-C503 HydrophobicContact CD1-CB 3.41Å; L452-C503 VanDerWaalsContact CD1-CB 3.41Å; L452-C503 HydrophobicContact CD2-CB 3.88Å; L452-C503 HydrophobicContact CG-CB 4.32Å; L452-L504 HydrophobicContact CB-CD2 3.84Å; L452-L504 HydrophobicContact CB-CG 4.23Å; L452-L504 HydrophobicContact CD1-CD2 4.25Å; L452-L504 HydrophobicContact CD1-CG 4.46Å
453	A	96.1	Very high	95.7	Very high	5 Å²	5	72.7 Å²	72.7	4%	0.041	37%	0.368	C	S	.	.	H	α-helix	trans	-59.4	-41.7	177.8	0	0	0	0	0	111.6	L436 L449 S450 E451 L456 K457 A458 K460	L436-A453 HydrophobicContact CD1-CB 4.1Å; L449-A453 WeakPolarHBondContact O-CB 3.46Å; L449-A453 PolarHBondContact O-N 3.33Å; L449-A453 VanDerWaalsContact O-N 3.1Å; S450-A453 WeakPolarHBondContact O-CB 3.03Å; S450-A453 PolarHBondContact O-N 2.85Å; E451-A453 VanDerWaalsContact C-N 3.32Å; E451-A453 PolarHBondContact O-N 3.39Å; A453-L456 PolarHBondContact O-N 3.47Å; A453-K457 CarbonylContact O-C 3.59Å; A453-K457 PolarHBondContact O-N 3.07Å; A453-K457 VanDerWaalsContact O-N 3.1Å; A453-A458 HydrophobicContact CB-CB 4.4Å; A453-A458 PolarHBondContact O-N 2.91Å; A453-K460 HydrophobicContact CB-CB 3.9Å
454	V	95.9	Very high	95.6	Very high	117 Å²	117	69.7 Å²	69.7	71%	0.709	34%	0.342	S	S	*	.	H	α-helix	trans	-63	-46.6	174.7	177.6	0	0	0	0	111.4	S450 E451 L452 L456 K457	S450-V454 PolarHBondContact O-N 2.66Å; E451-V454 PolarHBondContact O-N 3.39Å; L452-V454 VanDerWaalsContact C-N 3.29Å; L452-V454 PolarHBondContact O-N 3.42Å; V454-L456 VanDerWaalsContact C-N 3.34Å; V454-L456 PolarHBondContact O-N 2.91Å; V454-K457 PolarHBondContact O-N 3.38Å; V454-K457 VanDerWaalsContact O-N 3.15Å
455	I	94.8	Very high	95.4	Very high	64 Å²	64	67.9 Å²	67.9	33%	0.328	34%	0.336	S	S	.	.	H	α-helix	trans	-61	-41.3	-180	-68.8	162.9	0	0	0	111.7	E451 L452 K457 L504	E451-I455 HydrophobicContact CG-CD1 4.16Å; E451-I455 PolarHBondContact O-N 2.86Å; E451-I455 VanDerWaalsContact O-N 3.14Å; L452-I455 PolarHBondContact O-N 3.14Å; I455-K457 VanDerWaalsContact C-N 3.31Å; I455-K457 PolarHBondContact O-N 2.9Å; I455-L504 HydrophobicContact CD1-CD2 3.71Å
456	L	93.2	Very high	95	Very high	29 Å²	29	69.8 Å²	69.8	15%	0.152	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	2.1	179.3	-59.1	-172	0	0	0	114.1	L434 L452 A453 V454 A458 W499 C509	L434-L456 HydrophobicContact CD1-CB 4.22Å; L434-L456 HydrophobicContact CD1-CD1 4.28Å; L452-L456 HydrophobicContact CD1-CD1 3.8Å; L452-L456 HydrophobicContact CD1-CD2 4.19Å; L452-L456 HydrophobicContact CD1-CG 3.67Å; L452-L456 HydrophobicContact CD2-CD1 4.34Å; L452-L456 HydrophobicContact CG-CD1 3.9Å; L452-L456 HydrophobicContact CG-CG 4.1Å; L452-L456 WeakPolarHBondContact O-CG 3.39Å; L452-L456 PolarHBondContact O-N 2.98Å; A453-L456 PolarHBondContact O-N 3.47Å; V454-L456 VanDerWaalsContact C-N 3.34Å; V454-L456 PolarHBondContact O-N 2.91Å; L456-A458 HydrophobicContact CB-CB 4.21Å; L456-A458 PolarHBondContact O-N 3.16Å; L456-W499 HydrophobicContact CD1-CH2 4.14Å; L456-W499 HydrophobicContact CD1-CZ2 4.4Å; L456-C509 HydrophobicContact CD1-CB 4.08Å; L456-C509 HydrophobicContact CD2-CB 3.79Å
457	K	94.3	Very high	94.8	Very high	196 Å²	196	70.5 Å²	70.5	85%	0.852	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.1	31.2	-170.4	-55.5	-178.6	-178	179.1	0	112.9	A453 V454 I455	A453-K457 CarbonylContact O-C 3.59Å; A453-K457 PolarHBondContact O-N 3.07Å; A453-K457 VanDerWaalsContact O-N 3.1Å; V454-K457 PolarHBondContact O-N 3.38Å; V454-K457 VanDerWaalsContact O-N 3.15Å; I455-K457 VanDerWaalsContact C-N 3.31Å; I455-K457 PolarHBondContact O-N 2.9Å
458	A	93.9	Very high	94.7	Very high	15 Å²	15	64.7 Å²	64.7	12%	0.124	34%	0.336	C	S	.	.			trans	-89.6	153.1	-179.1	0	0	0	0	0	111.4	L434 L436 A453 L456	L434-A458 HydrophobicContact CB-CB 3.51Å; L434-A458 CarbonylContact O-C 3.49Å; L434-A458 WeakPolarHBondContact O-CA 3.41Å; L434-A458 WeakPolarHBondContact O-CB 3.47Å; L436-A458 HydrophobicContact CD1-CB 4.15Å; L436-A458 HydrophobicContact CG-CB 4.02Å; A453-A458 HydrophobicContact CB-CB 4.4Å; A453-A458 PolarHBondContact O-N 2.91Å; L456-A458 HydrophobicContact CB-CB 4.21Å; L456-A458 PolarHBondContact O-N 3.16Å
459	K	95.5	Very high	94.6	Very high	114 Å²	114	64 Å²	64	50%	0.496	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	144.6	164.5	-62.8	-178.9	179.4	179.6	0	109.1	L434 V435 L436 Y461	L434-K459 PolarHBondContact O-N 3.05Å; V435-K459 WeakPolarHBondContact CA-O 3.01Å; V435-K459 HydrophobicContact CG1-CB 4.4Å; V435-K459 HydrophobicContact CG2-CB 4.28Å; V435-K459 HydrophobicContact CG2-CD 4.49Å; L436-K459 PolarHBondContact N-O 3.38Å; K459-Y461 HydrophobicContact CB-CE1 4.13Å; K459-Y461 HydrophobicContact CD-CE1 4.23Å
460	K	95.4	Very high	94.6	Very high	58 Å²	58	64.1 Å²	64.1	25%	0.252	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.2	166.3	-176.1	-169.6	172.6	-168.3	0	109.5	L436 Q446 L449 S450 A453	L436-K460 WeakPolarHBondContact O-CA 3.38Å; Q446-K460 PolarHBondContact O-NZ 3.44Å; L449-K460 HydrophobicContact CG-CD 4.34Å; S450-K460 WeakPolarHBondContact OG-CD 3.35Å; S450-K460 PolarHBondContact OG-NZ 3.27Å; A453-K460 HydrophobicContact CB-CB 3.9Å
461	Y	95.9	Very high	94.6	Very high	74 Å²	74	61.7 Å²	61.7	29%	0.29	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	158.9	173	-64.9	-14.6	0	0	0	111.9	V435 L436 K459 E463 D465 V468	V435-Y461 HydrophobicContact CG1-CD2 3.7Å; V435-Y461 HydrophobicContact CG1-CE2 3.66Å; V435-Y461 HydrophobicContact CG1-CG 4.16Å; L436-Y461 PolarHBondContact O-N 3.22Å; K459-Y461 HydrophobicContact CB-CE1 4.13Å; K459-Y461 HydrophobicContact CD-CE1 4.23Å; Y461-E463 WeakPolarHBondContact CB-O 3.36Å; Y461-D465 HydrophobicContact CE2-CB 4.4Å; Y461-V468 HydrophobicContact CD2-CG2 4.32Å
462	T	91.9	Very high	94.7	Very high	107 Å²	107	56.5 Å²	56.5	66%	0.656	29%	0.293	S	S	*	.	S	Bend	trans	-93.3	-44.2	169.6	46.3	0	0	0	0	111.3	K483	T462-K483 PolarHBondContact O-NZ 3.45Å
463	E	93.4	Very high	94.7	Very high	122 Å²	122	56.5 Å²	56.5	57%	0.57	29%	0.293	S	S	*	.	S	Bend	trans	-102.2	157.3	176.6	-66.6	-48.1	124.3	0	0	113	I437 Y461 K483	I437-E463 VanDerWaalsContact CD1-C 3.41Å; I437-E463 WeakPolarHBondContact CD1-O 3.38Å; Y461-E463 WeakPolarHBondContact CB-O 3.36Å; E463-K483 VanDerWaalsContact CD-NZ 3.26Å; E463-K483 IonicContact OE1-NZ 3.96Å; E463-K483 PolarHBondContact OE1-NZ 2.82Å; E463-K483 WeakPolarHBondContact OE2-CE 3.39Å; E463-K483 IonicContact OE2-NZ 2.68Å; E463-K483 PolarHBondContact OE2-NZ 3.43Å
464	F	94.6	Very high	94.7	Very high	38 Å²	38	58.1 Å²	58.1	17%	0.167	30%	0.304	C	S	.	.			trans	-83.3	136.5	-173.6	-169.2	-79.8	0	0	0	111.9	I437 V468 V471 L486 N490	I437-F464 HydrophobicContact CD1-CB 4.1Å; I437-F464 HydrophobicContact CD1-CD2 4.42Å; I437-F464 HydrophobicContact CG2-CD2 4.49Å; F464-V468 HydrophobicContact CD2-CB 4.35Å; F464-V468 HydrophobicContact CD2-CG1 4.33Å; F464-V468 HydrophobicContact CD2-CG2 4.23Å; F464-V468 HydrophobicContact CE2-CB 3.88Å; F464-V468 HydrophobicContact CE2-CG1 3.81Å; F464-V468 HydrophobicContact CE2-CG2 4.26Å; F464-V468 HydrophobicContact CZ-CB 4.08Å; F464-V468 HydrophobicContact CZ-CG1 4.4Å; F464-V471 HydrophobicContact CE2-CG2 4.11Å; F464-L486 HydrophobicContact CB-CD1 4.08Å; F464-L486 HydrophobicContact CD1-CB 3.61Å; F464-L486 HydrophobicContact CD1-CD1 3.85Å; F464-L486 HydrophobicContact CD1-CG 4.31Å; F464-L486 HydrophobicContact CD2-CB 4.09Å; F464-L486 HydrophobicContact CE1-CB 3.67Å; F464-L486 HydrophobicContact CE2-CB 4.13Å; F464-L486 HydrophobicContact CG-CB 3.84Å; F464-L486 HydrophobicContact CG-CD1 4.04Å; F464-L486 HydrophobicContact CZ-CB 3.94Å; F464-L486 WeakPolarHBondContact CZ-O 3.48Å; F464-N490 HydrophobicContact CZ-CB 4.23Å
465	D	92.4	Very high	94.4	Very high	65 Å²	65	53.6 Å²	53.6	35%	0.348	28%	0.28	S	S	.	.			trans	-137	156.8	170.9	168.5	44.3	0	0	0	109.9	Y461 T467 V468	Y461-D465 HydrophobicContact CE2-CB 4.4Å; D465-T467 PolarHBondContact O-N 2.72Å; D465-T467 VanDerWaalsContact O-N 3.1Å; D465-T467 VanDerWaalsContact OD2-CB 3.29Å; D465-T467 WeakPolarHBondContact OD2-CB 3.44Å; D465-T467 VanDerWaalsContact OD2-CG2 3.27Å; D465-T467 WeakPolarHBondContact OD2-CG2 3.45Å; D465-T467 PolarHBondContact OD2-N 2.78Å; D465-T467 VanDerWaalsContact OD2-N 3.15Å; D465-T467 PolarHBondContact OD2-OG1 3Å; D465-V468 VanDerWaalsContact O-CB 3.25Å; D465-V468 WeakPolarHBondContact O-CB 3.46Å; D465-V468 VanDerWaalsContact O-CG2 3.22Å; D465-V468 WeakPolarHBondContact O-CG2 3.48Å; D465-V468 PolarHBondContact O-N 2.94Å
466	S	88.4	Confident	94.1	Very high	73 Å²	73	55.8 Å²	55.8	51%	0.51	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-26	171.8	61.6	0	0	0	0	115.3	V468	S466-V468 VanDerWaalsContact C-N 3.32Å
467	T	91.2	Very high	93.8	Very high	67 Å²	67	57.2 Å²	57.2	41%	0.411	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-8.6	175.7	64.5	0	0	0	0	114.4	V435 D465 T469	V435-T467 WeakPolarHBondContact CB-O 3.39Å; V435-T467 WeakPolarHBondContact CG2-O 3.36Å; D465-T467 PolarHBondContact O-N 2.72Å; D465-T467 VanDerWaalsContact O-N 3.1Å; D465-T467 VanDerWaalsContact OD2-CB 3.29Å; D465-T467 WeakPolarHBondContact OD2-CB 3.44Å; D465-T467 VanDerWaalsContact OD2-CG2 3.27Å; D465-T467 WeakPolarHBondContact OD2-CG2 3.45Å; D465-T467 PolarHBondContact OD2-N 2.78Å; D465-T467 VanDerWaalsContact OD2-N 3.15Å; D465-T467 PolarHBondContact OD2-OG1 3Å; T467-T469 PolarHBondContact O-N 3.23Å
468	V	95.5	Very high	93.5	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	28%	0.277	C	S	.	.			trans	-60.1	129.8	176.5	170.4	0	0	0	0	110.6	V435 I437 Y461 F464 D465 S466 V471 C492	V435-V468 HydrophobicContact CG1-CG2 4.16Å; I437-V468 HydrophobicContact CB-CG1 4.48Å; I437-V468 HydrophobicContact CG2-CG1 3.63Å; I437-V468 HydrophobicContact CG2-CG2 4.33Å; Y461-V468 HydrophobicContact CD2-CG2 4.32Å; F464-V468 HydrophobicContact CD2-CB 4.35Å; F464-V468 HydrophobicContact CD2-CG1 4.33Å; F464-V468 HydrophobicContact CD2-CG2 4.23Å; F464-V468 HydrophobicContact CE2-CB 3.88Å; F464-V468 HydrophobicContact CE2-CG1 3.81Å; F464-V468 HydrophobicContact CE2-CG2 4.26Å; F464-V468 HydrophobicContact CZ-CB 4.08Å; F464-V468 HydrophobicContact CZ-CG1 4.4Å; D465-V468 VanDerWaalsContact O-CB 3.25Å; D465-V468 WeakPolarHBondContact O-CB 3.46Å; D465-V468 VanDerWaalsContact O-CG2 3.22Å; D465-V468 WeakPolarHBondContact O-CG2 3.48Å; D465-V468 PolarHBondContact O-N 2.94Å; S466-V468 VanDerWaalsContact C-N 3.32Å; V468-V471 HydrophobicContact CG1-CG2 4.14Å; V468-C492 PolarHBondContact O-SG 3.44Å
469	T	95.1	Very high	93.2	Very high	37 Å²	37	52 Å²	52	23%	0.227	29%	0.287	C	S	.	.			trans	-104.7	-29.1	175.7	58.7	0	0	0	0	112.7	V435 T467 W493	V435-T469 PolarHBondContact N-OG1 3.43Å; V435-T469 PolarHBondContact O-N 3.24Å; V435-T469 PolarHBondContact O-OG1 2.88Å; T467-T469 PolarHBondContact O-N 3.23Å; T469-W493 PolarHBondContact O-N 2.89Å
470	H	97.3	Very high	93	Very high	4 Å²	4	51 Å²	51	2%	0.019	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	127.4	-175.9	-63.2	70.1	0	0	0	112.3	V435 L436 I437 W493 E512	V435-H470 PolarHBondContact O-N 3.23Å; L436-H470 HydrophobicContact CD2-CB 3.68Å; I437-H470 PolarHBondContact N-O 3.28Å; H470-W493 CarbonylContact C-O 3.6Å; H470-W493 WeakPolarHBondContact CA-O 3.37Å; H470-W493 AromaticContact CD2-CD1 3.85Å; H470-W493 AromaticContact CD2-CG 3.95Å; H470-W493 AromaticContact CE1-CD1 3.6Å; H470-W493 AromaticContact NE2-CD1 3.36Å; H470-W493 AromaticContact NE2-CG 3.84Å; H470-E512 IonicContact NE2-OE1 3.73Å
471	V	98	Very high	92.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.7	168.6	-173.6	0	0	0	0	108.7	I437 F464 V468 C492 W493 I494 L495	I437-V471 HydrophobicContact CG2-CB 4.11Å; I437-V471 HydrophobicContact CG2-CG1 4.14Å; I437-V471 HydrophobicContact CG2-CG2 3.72Å; I437-V471 WeakPolarHBondContact O-CA 3.49Å; F464-V471 HydrophobicContact CE2-CG2 4.11Å; V468-V471 HydrophobicContact CG1-CG2 4.14Å; V471-C492 HydrophobicContact CG2-CB 4.43Å; V471-W493 PolarHBondContact N-O 3.24Å; V471-I494 HydrophobicContact CB-CD1 3.65Å; V471-I494 HydrophobicContact CG1-CD1 4.48Å; V471-I494 HydrophobicContact CG2-CD1 3.71Å; V471-I494 WeakPolarHBondContact O-CA 3.39Å; V471-L495 PolarHBondContact O-N 3.38Å
472	V	98.1	Very high	92.9	Very high	0 Å²	0	49 Å²	49	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	127.8	177.8	-174.6	0	0	0	0	110.4	I437 S439 L441 L449 L495 F497 W499 V500	I437-V472 PolarHBondContact O-N 2.59Å; S439-V472 PolarHBondContact N-O 2.87Å; L441-V472 HydrophobicContact CD1-CB 4.3Å; L441-V472 HydrophobicContact CD1-CG1 4.27Å; L441-V472 HydrophobicContact CD2-CG1 4.38Å; L449-V472 HydrophobicContact CD1-CG2 3.96Å; L449-V472 HydrophobicContact CD2-CB 4.49Å; V472-L495 WeakPolarHBondContact CA-O 3.44Å; V472-F497 HydrophobicContact CG1-CB 4.27Å; V472-F497 HydrophobicContact CG1-CD2 3.86Å; V472-W499 HydrophobicContact CG2-CE3 4.3Å; V472-W499 HydrophobicContact CG2-CZ3 4.26Å; V472-V500 HydrophobicContact CG1-CG2 3.78Å; V472-V500 HydrophobicContact CG2-CG2 4.11Å
473	V	97.6	Very high	93.1	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	152.3	176.5	-70.1	0	0	0	0	111.3	G475 Q479 C484 I494 L495 F497 I517	V473-G475 VanDerWaalsContact C-N 3.25Å; V473-G475 PolarHBondContact O-N 3.08Å; V473-Q479 HydrophobicContact CB-CG 4.38Å; V473-Q479 HydrophobicContact CG1-CG 4.12Å; V473-C484 VanDerWaalsContact CG1-SG 3.59Å; V473-I494 HydrophobicContact CG1-CG2 4.27Å; V473-L495 WeakPolarHBondContact CG2-O 3.3Å; V473-L495 PolarHBondContact N-O 3.41Å; V473-F497 WeakPolarHBondContact O-CB 3.39Å; V473-F497 PolarHBondContact O-N 2.97Å; V473-I517 HydrophobicContact CG2-CD1 3.74Å; V473-I517 HydrophobicContact CG2-CG1 3.91Å
474	P	95.7	Very high	93.3	Very high	40 Å²	40	40.4 Å²	40.4	26%	0.26	25%	0.245	S	C	.	.	S	Bend	trans	-72.1	-9.1	-168.2	28.1	-37.5	0	0	0	115.7	S439 L441	S439-P474 VanDerWaalsContact O-CD 3.27Å; S439-P474 WeakPolarHBondContact O-CD 3.42Å; L441-P474 HydrophobicContact CD2-CB 3.95Å
475	G	90	Very high	93.4	Very high	21 Å²	21	39.2 Å²	39.2	22%	0.216	24%	0.24	C	C	.	.	S	Bend	trans	-168.7	-158.7	-177.6	0	0	0	0	0	112	V473 A477	V473-G475 VanDerWaalsContact C-N 3.25Å; V473-G475 PolarHBondContact O-N 3.08Å; G475-A477 VanDerWaalsContact C-N 3.34Å; G475-A477 PolarHBondContact O-N 2.77Å
476	D	88.1	Confident	93.7	Very high	110 Å²	110	36.9 Å²	36.9	59%	0.588	23%	0.227	S	C	*	.	S	Bend	trans	-72.7	-7.3	-164.9	-65.2	-78.7	0	0	0	117.8	K496 I517	D476-K496 WeakPolarHBondContact OD1-CD 3.36Å; D476-K496 VanDerWaalsContact OD1-CE 3.23Å; D476-K496 WeakPolarHBondContact OD1-CE 3.39Å; D476-K496 IonicContact OD1-NZ 3.58Å; D476-K496 PolarHBondContact OD1-NZ 2.88Å; D476-I517 WeakPolarHBondContact O-CD1 3.4Å
477	A	88	Confident	94.1	Very high	59 Å²	59	33.4 Å²	33.4	49%	0.488	20%	0.203	S	C	.	.	S	Bend	trans	-122.3	142.9	-173.6	0	0	0	0	0	113.5	G475 Q479	G475-A477 VanDerWaalsContact C-N 3.34Å; G475-A477 PolarHBondContact O-N 2.77Å; A477-Q479 PolarHBondContact O-N 2.9Å; A477-Q479 PolarHBondContact O-NE2 2.94Å
478	V	86.9	Confident	94.4	Very high	31 Å²	31	30.2 Å²	30.2	19%	0.188	18%	0.183	C	C	.	.			trans	-59.1	124.1	173	-168.4	0	0	0	0	109.4	C484 I488 I517 P521 M632	V478-C484 HydrophobicContact CG1-CB 3.88Å; V478-I488 HydrophobicContact CG1-CD1 3.94Å; V478-I517 HydrophobicContact CG2-CB 4.25Å; V478-I517 HydrophobicContact CG2-CG2 3.46Å; V478-I517 VanDerWaalsContact CG2-CG2 3.46Å; V478-P521 HydrophobicContact CG2-CG 3.6Å; V478-M632 HydrophobicContact CB-CE 3.77Å; V478-M632 HydrophobicContact CG1-CE 3.53Å; V478-M632 HydrophobicContact CG1-SD 3.99Å
479	Q	88.1	Confident	94.5	Very high	71 Å²	71	30.5 Å²	30.5	33%	0.332	19%	0.185	S	C	.	.			trans	-76.6	135	171.8	-54.9	-62.8	-70.4	0	0	109.6	V473 A477 T481 C484	V473-Q479 HydrophobicContact CB-CG 4.38Å; V473-Q479 HydrophobicContact CG1-CG 4.12Å; A477-Q479 PolarHBondContact O-N 2.9Å; A477-Q479 PolarHBondContact O-NE2 2.94Å; Q479-T481 HydrophobicContact CB-CG2 3.94Å; Q479-T481 PolarHBondContact O-N 3.37Å; Q479-C484 WeakPolarHBondContact O-CB 3.45Å; Q479-C484 PolarHBondContact O-SG 3.07Å
480	S	90.8	Very high	94.5	Very high	93 Å²	93	29.8 Å²	29.8	65%	0.65	18%	0.179	S	C	*	.			trans	-73.8	41.3	178.6	50	0	0	0	0	113.8
481	T	94.9	Very high	94.4	Very high	50 Å²	50	29.6 Å²	29.6	31%	0.307	18%	0.179	S	C	.	.	S	Bend	trans	-97.6	157.1	-179.7	73.4	0	0	0	0	111.5	S439 Q479 K483 C484 M485	S439-T481 PolarHBondContact OG-OG1 3.1Å; Q479-T481 HydrophobicContact CB-CG2 3.94Å; Q479-T481 PolarHBondContact O-N 3.37Å; T481-K483 PolarHBondContact O-N 2.76Å; T481-K483 VanDerWaalsContact O-N 3.17Å; T481-C484 PolarHBondContact O-N 3.11Å; T481-C484 PolarHBondContact OG1-N 2.78Å; T481-M485 WeakPolarHBondContact O-CG 3.47Å; T481-M485 PolarHBondContact O-N 2.85Å
482	L	95.4	Very high	94.3	Very high	41 Å²	41	29.7 Å²	29.7	22%	0.215	18%	0.18	C	C	.	.	H	α-helix	trans	-54.6	-34.7	174.7	-174.7	62.9	0	0	0	112.9	L486 N554 K557 L558	L482-L486 HydrophobicContact CD1-CD1 3.96Å; L482-L486 HydrophobicContact CD1-CG 3.98Å; L482-L486 HydrophobicContact CD2-CD1 4.37Å; L482-L486 HydrophobicContact CG-CD1 3.76Å; L482-L486 HydrophobicContact CG-CG 4.22Å; L482-L486 VanDerWaalsContact O-CB 3.29Å; L482-L486 WeakPolarHBondContact O-CB 3.3Å; L482-L486 VanDerWaalsContact O-CG 3.24Å; L482-L486 WeakPolarHBondContact O-CG 3.4Å; L482-L486 PolarHBondContact O-N 3.16Å; L482-N554 HydrophobicContact CD1-CB 4.06Å; L482-N554 HydrophobicContact CD2-CB 4.36Å; L482-N554 WeakPolarHBondContact CD2-OD1 3.36Å; L482-K557 HydrophobicContact CD2-CD 4.42Å; L482-L558 HydrophobicContact CD1-CD1 4.26Å; L482-L558 HydrophobicContact CD1-CD2 3.99Å; L482-L558 HydrophobicContact CD1-CG 3.92Å
483	K	96.4	Very high	94.3	Very high	48 Å²	48	31.2 Å²	31.2	21%	0.209	19%	0.185	C	C	.	.	H	α-helix	trans	-72.1	-36.6	-177.7	-63.1	-179.5	-178.1	-178.4	0	112.1	I437 T462 E463 T481 G487	I437-K483 HydrophobicContact CD1-CD 4Å; I437-K483 HydrophobicContact CD1-CG 4.39Å; T462-K483 PolarHBondContact O-NZ 3.45Å; E463-K483 VanDerWaalsContact CD-NZ 3.26Å; E463-K483 IonicContact OE1-NZ 3.96Å; E463-K483 PolarHBondContact OE1-NZ 2.82Å; E463-K483 WeakPolarHBondContact OE2-CE 3.39Å; E463-K483 IonicContact OE2-NZ 2.68Å; E463-K483 PolarHBondContact OE2-NZ 3.43Å; T481-K483 PolarHBondContact O-N 2.76Å; T481-K483 VanDerWaalsContact O-N 3.17Å; K483-G487 PolarHBondContact O-N 3.19Å; K483-G487 VanDerWaalsContact O-N 3.15Å
484	C	96.8	Very high	94.3	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-70.2	-48.5	171.3	-65.2	0	0	0	0	111.4	S439 V473 V478 Q479 T481 L486 G487 I488	S439-C484 PolarHBondContact OG-SG 2.98Å; V473-C484 VanDerWaalsContact CG1-SG 3.59Å; V478-C484 HydrophobicContact CG1-CB 3.88Å; Q479-C484 WeakPolarHBondContact O-CB 3.45Å; Q479-C484 PolarHBondContact O-SG 3.07Å; T481-C484 PolarHBondContact O-N 3.11Å; T481-C484 PolarHBondContact OG1-N 2.78Å; C484-L486 PolarHBondContact O-N 2.88Å; C484-G487 CarbonylContact O-C 3.42Å; C484-G487 WeakPolarHBondContact O-CA 3.3Å; C484-G487 PolarHBondContact O-N 2.81Å; C484-I488 WeakPolarHBondContact O-CG1 3.08Å; C484-I488 PolarHBondContact O-N 3.08Å
485	M	97.8	Very high	94.4	Very high	12 Å²	12	29.3 Å²	29.3	6%	0.059	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-40.9	-178.1	-72.5	-172	-81.8	0	0	112.8	T481 I488 L489 L558 I628 V631 M632	T481-M485 WeakPolarHBondContact O-CG 3.47Å; T481-M485 PolarHBondContact O-N 2.85Å; M485-I488 PolarHBondContact O-N 3.16Å; M485-L489 WeakPolarHBondContact O-CG 3.35Å; M485-L489 PolarHBondContact O-N 2.93Å; M485-L558 HydrophobicContact CB-CD1 4.42Å; M485-L558 HydrophobicContact CB-CD2 3.55Å; M485-L558 HydrophobicContact CE-CD1 4.14Å; M485-L558 HydrophobicContact SD-CD1 3.87Å; M485-I628 HydrophobicContact CE-CD1 3.83Å; M485-I628 HydrophobicContact SD-CD1 3.46Å; M485-I628 WeakPolarHBondContact SD-CD1 3.36Å; M485-I628 HydrophobicContact SD-CG2 3.89Å; M485-V631 HydrophobicContact CB-CG1 3.69Å; M485-V631 HydrophobicContact CG-CG1 3.89Å; M485-V631 HydrophobicContact SD-CG1 4.37Å; M485-M632 HydrophobicContact CG-CG 4.29Å; M485-M632 HydrophobicContact CG-SD 3.65Å; M485-M632 HydrophobicContact SD-SD 4.47Å
486	L	97.6	Very high	94.7	Very high	17 Å²	17	30.6 Å²	30.6	9%	0.089	17%	0.173	C	C	.	.	H	α-helix	trans	-66.4	-36.7	171.5	-71.5	171.8	0	0	0	112	F464 L482 C484 L489 N490 K557 L558 A561	F464-L486 HydrophobicContact CB-CD1 4.08Å; F464-L486 HydrophobicContact CD1-CB 3.61Å; F464-L486 HydrophobicContact CD1-CD1 3.85Å; F464-L486 HydrophobicContact CD1-CG 4.31Å; F464-L486 HydrophobicContact CD2-CB 4.09Å; F464-L486 HydrophobicContact CE1-CB 3.67Å; F464-L486 HydrophobicContact CE2-CB 4.13Å; F464-L486 HydrophobicContact CG-CB 3.84Å; F464-L486 HydrophobicContact CG-CD1 4.04Å; F464-L486 HydrophobicContact CZ-CB 3.94Å; F464-L486 WeakPolarHBondContact CZ-O 3.48Å; L482-L486 HydrophobicContact CD1-CD1 3.96Å; L482-L486 HydrophobicContact CD1-CG 3.98Å; L482-L486 HydrophobicContact CD2-CD1 4.37Å; L482-L486 HydrophobicContact CG-CD1 3.76Å; L482-L486 HydrophobicContact CG-CG 4.22Å; L482-L486 VanDerWaalsContact O-CB 3.29Å; L482-L486 WeakPolarHBondContact O-CB 3.3Å; L482-L486 VanDerWaalsContact O-CG 3.24Å; L482-L486 WeakPolarHBondContact O-CG 3.4Å; L482-L486 PolarHBondContact O-N 3.16Å; C484-L486 PolarHBondContact O-N 2.88Å; L486-L489 PolarHBondContact O-N 2.8Å; L486-N490 WeakPolarHBondContact O-CB 3.14Å; L486-N490 PolarHBondContact O-N 2.58Å; L486-N490 PolarHBondContact O-ND2 3.23Å; L486-K557 HydrophobicContact CD2-CB 4.47Å; L486-L558 HydrophobicContact CD2-CD2 3.94Å; L486-L558 HydrophobicContact CG-CD2 4.08Å; L486-A561 HydrophobicContact CD2-CB 3.55Å
487	G	97.1	Very high	95.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-61.9	-43.3	173.7	0	0	0	0	0	112.9	K483 C484 N490 G491 C492	K483-G487 PolarHBondContact O-N 3.19Å; K483-G487 VanDerWaalsContact O-N 3.15Å; C484-G487 CarbonylContact O-C 3.42Å; C484-G487 WeakPolarHBondContact O-CA 3.3Å; C484-G487 PolarHBondContact O-N 2.81Å; G487-N490 CarbonylContact O-C 3.57Å; G487-N490 PolarHBondContact O-N 3.13Å; G487-G491 PolarHBondContact O-N 3.28Å; G487-C492 WeakPolarHBondContact O-CB 3.35Å; G487-C492 PolarHBondContact O-N 2.93Å; G487-C492 PolarHBondContact O-SG 3.42Å
488	I	97.9	Very high	95.7	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-61.7	-54.9	173.7	-63.7	169.1	0	0	0	109	V478 C484 M485 N490 G491 I494 P521 S524 V631 M632 F634	V478-I488 HydrophobicContact CG1-CD1 3.94Å; C484-I488 WeakPolarHBondContact O-CG1 3.08Å; C484-I488 PolarHBondContact O-N 3.08Å; M485-I488 PolarHBondContact O-N 3.16Å; I488-N490 PolarHBondContact O-N 3.48Å; I488-G491 PolarHBondContact O-N 2.77Å; I488-I494 HydrophobicContact CG1-CD1 4.45Å; I488-I494 HydrophobicContact CG1-CG1 4.12Å; I488-P521 HydrophobicContact CD1-CG 4Å; I488-P521 HydrophobicContact CG1-CB 4.44Å; I488-P521 HydrophobicContact CG1-CG 4.01Å; I488-S524 VanDerWaalsContact O-CB 3.31Å; I488-S524 WeakPolarHBondContact O-CB 3.47Å; I488-S524 PolarHBondContact O-OG 3.23Å; I488-V631 WeakPolarHBondContact CG2-O 3.41Å; I488-M632 HydrophobicContact CD1-SD 4.49Å; I488-F634 HydrophobicContact CG2-CB 4.09Å; I488-F634 HydrophobicContact CG2-CD2 3.99Å; I488-F634 HydrophobicContact CG2-CG 4.42Å
489	L	97.2	Very high	96.2	Very high	7 Å²	7	24 Å²	24	4%	0.037	13%	0.126	C	C	.	.	H	α-helix	trans	-62.9	-14	-178.7	-65.8	175.7	0	0	0	115.2	M485 L486 L535 L558 A561 V631 F634	M485-L489 WeakPolarHBondContact O-CG 3.35Å; M485-L489 PolarHBondContact O-N 2.93Å; L486-L489 PolarHBondContact O-N 2.8Å; L489-L535 HydrophobicContact CD2-CB 4Å; L489-L535 HydrophobicContact CD2-CD2 3.78Å; L489-L558 HydrophobicContact CD1-CB 4.16Å; L489-L558 HydrophobicContact CD1-CD2 3.8Å; L489-L558 VanDerWaalsContact CD1-O 3.23Å; L489-L558 WeakPolarHBondContact CD1-O 3.47Å; L489-A561 HydrophobicContact CB-CB 4.16Å; L489-A561 HydrophobicContact CD1-CB 4.23Å; L489-V631 HydrophobicContact CD1-CG1 3.87Å; L489-V631 HydrophobicContact CD1-CG2 3.98Å; L489-V631 HydrophobicContact CD2-CG1 4.1Å; L489-V631 HydrophobicContact CD2-CG2 4.21Å; L489-V631 HydrophobicContact CG-CG1 3.75Å; L489-V631 HydrophobicContact CG-CG2 4.39Å; L489-F634 HydrophobicContact CD2-CD2 4.46Å; L489-F634 HydrophobicContact CD2-CE2 4.43Å
490	N	95.4	Very high	96.6	Very high	21 Å²	21	20.7 Å²	20.7	11%	0.112	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	7.5	171.5	-75.4	-86.3	0	0	0	113.4	F464 L486 G487 I488 C492 R528	F464-N490 HydrophobicContact CZ-CB 4.23Å; L486-N490 WeakPolarHBondContact O-CB 3.14Å; L486-N490 PolarHBondContact O-N 2.58Å; L486-N490 PolarHBondContact O-ND2 3.23Å; G487-N490 CarbonylContact O-C 3.57Å; G487-N490 PolarHBondContact O-N 3.13Å; I488-N490 PolarHBondContact O-N 3.48Å; N490-C492 PolarHBondContact O-N 2.79Å; N490-R528 WeakPolarHBondContact O-CD 3.4Å; N490-R528 PolarHBondContact O-NE 3.07Å; N490-R528 PolarHBondContact O-NH1 2.87Å
491	G	95.6	Very high	96.9	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.01	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.2	41.9	-178.9	0	0	0	0	0	112.8	R430 G487 I488	R430-G491 PolarHBondContact NH2-O 2.92Å; G487-G491 PolarHBondContact O-N 3.28Å; I488-G491 PolarHBondContact O-N 2.77Å
492	C	96	Very high	97	Very high	2 Å²	2	17.7 Å²	17.7	1%	0.014	8%	0.083	C	C	.	.			trans	-80.3	156.9	173	-56.5	0	0	0	0	110.3	V468 V471 G487 N490 I494	V468-C492 PolarHBondContact O-SG 3.44Å; V471-C492 HydrophobicContact CG2-CB 4.43Å; G487-C492 WeakPolarHBondContact O-CB 3.35Å; G487-C492 PolarHBondContact O-N 2.93Å; G487-C492 PolarHBondContact O-SG 3.42Å; N490-C492 PolarHBondContact O-N 2.79Å; C492-I494 HydrophobicContact CB-CD1 4.36Å; C492-I494 PolarHBondContact O-N 2.84Å
493	W	96.9	Very high	97.1	Very high	31 Å²	31	15.8 Å²	15.8	12%	0.117	7%	0.073	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	119	166.1	-68.2	106.5	0	0	0	109.8	T469 H470 V471 L495 E512 E513 E516 R525	T469-W493 PolarHBondContact O-N 2.89Å; H470-W493 CarbonylContact C-O 3.6Å; H470-W493 WeakPolarHBondContact CA-O 3.37Å; H470-W493 AromaticContact CD2-CD1 3.85Å; H470-W493 AromaticContact CD2-CG 3.95Å; H470-W493 AromaticContact CE1-CD1 3.6Å; H470-W493 AromaticContact NE2-CD1 3.36Å; H470-W493 AromaticContact NE2-CG 3.84Å; V471-W493 PolarHBondContact N-O 3.24Å; W493-L495 HydrophobicContact CB-CD1 4.39Å; W493-L495 HydrophobicContact CB-CD2 3.99Å; W493-L495 HydrophobicContact CB-CG 3.97Å; W493-L495 HydrophobicContact CE3-CD2 4.1Å; W493-E512 HydrophobicContact CD2-CB 3.65Å; W493-E512 HydrophobicContact CD2-CG 4.19Å; W493-E512 HydrophobicContact CE3-CB 3.62Å; W493-E512 HydrophobicContact CG-CB 4.32Å; W493-E512 HydrophobicContact CG-CG 4.41Å; W493-E512 HydrophobicContact CH2-CB 3.89Å; W493-E512 HydrophobicContact CZ2-CB 3.91Å; W493-E512 HydrophobicContact CZ3-CB 3.73Å; W493-E513 HydrophobicContact CH2-CG 3.73Å; W493-E513 WeakPolarHBondContact CH2-OE1 3.49Å; W493-E513 HydrophobicContact CZ3-CG 3.95Å; W493-E516 HydrophobicContact CE3-CB 4.48Å; W493-E516 HydrophobicContact CZ3-CB 4.48Å; W493-R525 VanDerWaalsContact CD2-CD 3.5Å; W493-R525 VanDerWaalsContact CE3-CD 3.41Å
494	I	97.7	Very high	97.1	Very high	0 Å²	0	14.6 Å²	14.6	0%	0	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	106.2	170.8	-45.6	-58.7	0	0	0	107	V471 V473 I488 C492 I517 P521	V471-I494 HydrophobicContact CB-CD1 3.65Å; V471-I494 HydrophobicContact CG1-CD1 4.48Å; V471-I494 HydrophobicContact CG2-CD1 3.71Å; V471-I494 WeakPolarHBondContact O-CA 3.39Å; V473-I494 HydrophobicContact CG1-CG2 4.27Å; I488-I494 HydrophobicContact CG1-CD1 4.45Å; I488-I494 HydrophobicContact CG1-CG1 4.12Å; C492-I494 HydrophobicContact CB-CD1 4.36Å; C492-I494 PolarHBondContact O-N 2.84Å; I494-I517 HydrophobicContact CG2-CG1 4.05Å; I494-I517 WeakPolarHBondContact O-CG1 3.35Å; I494-I517 PolarHBondContact O-N 2.82Å; I494-P521 HydrophobicContact CB-CB 3.8Å; I494-P521 HydrophobicContact CB-CG 4.08Å; I494-P521 HydrophobicContact CG1-CB 3.63Å; I494-P521 HydrophobicContact CG1-CG 4Å; I494-P521 HydrophobicContact CG2-CG 4.47Å
495	L	97.6	Very high	97.1	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	144.6	-167.8	-56.7	-170.6	0	0	0	113.3	V471 V472 V473 W493 W499 E512 Y515 E516	V471-L495 PolarHBondContact O-N 3.38Å; V472-L495 WeakPolarHBondContact CA-O 3.44Å; V473-L495 WeakPolarHBondContact CG2-O 3.3Å; V473-L495 PolarHBondContact N-O 3.41Å; W493-L495 HydrophobicContact CB-CD1 4.39Å; W493-L495 HydrophobicContact CB-CD2 3.99Å; W493-L495 HydrophobicContact CB-CG 3.97Å; W493-L495 HydrophobicContact CE3-CD2 4.1Å; L495-W499 HydrophobicContact CB-CB 4.37Å; L495-W499 HydrophobicContact CD1-CB 4.29Å; L495-W499 HydrophobicContact CD1-CD2 3.5Å; L495-W499 HydrophobicContact CD1-CE3 3.99Å; L495-W499 HydrophobicContact CD1-CG 3.65Å; L495-W499 HydrophobicContact CD1-CZ2 4.14Å; L495-E512 HydrophobicContact CD1-CB 4.26Å; L495-E512 HydrophobicContact CD1-CG 4.11Å; L495-E512 HydrophobicContact CD2-CB 4.38Å; L495-E512 WeakPolarHBondContact CD2-O 3.3Å; L495-Y515 WeakPolarHBondContact CA-O 3.24Å; L495-E516 HydrophobicContact CD2-CB 4.13Å
496	K	97.6	Very high	97	Very high	48 Å²	48	30.6 Å²	30.6	21%	0.209	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	144.7	169.4	-60.8	174.8	-176.1	-162.9	0	110.8	D476 E498 W499 Y515 I517	D476-K496 WeakPolarHBondContact OD1-CD 3.36Å; D476-K496 VanDerWaalsContact OD1-CE 3.23Å; D476-K496 WeakPolarHBondContact OD1-CE 3.39Å; D476-K496 IonicContact OD1-NZ 3.58Å; D476-K496 PolarHBondContact OD1-NZ 2.88Å; K496-E498 HydrophobicContact CB-CB 4.29Å; K496-E498 PolarHBondContact O-N 2.72Å; K496-W499 VanDerWaalsContact O-CB 3.29Å; K496-W499 WeakPolarHBondContact O-CB 3.26Å; K496-W499 PolarHBondContact O-N 2.75Å; K496-Y515 WeakPolarHBondContact CG-O 3.43Å; K496-Y515 PolarHBondContact N-O 3.02Å; K496-I517 HydrophobicContact CD-CD1 4.38Å; K496-I517 HydrophobicContact CG-CD1 3.45Å; K496-I517 VanDerWaalsContact CG-CD1 3.45Å
497	F	97.7	Very high	96.8	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.013	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-18.1	177	-169.4	-99.5	0	0	0	113.5	L441 Q445 M448 V472 V473 W499 V500 K501	L441-F497 HydrophobicContact CD1-CD2 4.19Å; L441-F497 HydrophobicContact CD1-CE2 4.32Å; L441-F497 HydrophobicContact CD2-CD2 3.84Å; L441-F497 HydrophobicContact CD2-CG 4.49Å; Q445-F497 HydrophobicContact CB-CD2 4.11Å; Q445-F497 HydrophobicContact CB-CE1 4.34Å; Q445-F497 HydrophobicContact CB-CE2 3.54Å; Q445-F497 HydrophobicContact CB-CZ 3.68Å; Q445-F497 HydrophobicContact CG-CD1 4.15Å; Q445-F497 HydrophobicContact CG-CD2 4.22Å; Q445-F497 HydrophobicContact CG-CE1 3.78Å; Q445-F497 HydrophobicContact CG-CE2 3.86Å; Q445-F497 HydrophobicContact CG-CG 4.37Å; Q445-F497 HydrophobicContact CG-CZ 3.64Å; M448-F497 HydrophobicContact CB-CZ 3.91Å; M448-F497 HydrophobicContact CE-CE1 4.14Å; M448-F497 HydrophobicContact CE-CZ 4.1Å; M448-F497 HydrophobicContact CG-CZ 4.44Å; M448-F497 HydrophobicContact SD-CE1 3.99Å; M448-F497 HydrophobicContact SD-CZ 3.74Å; V472-F497 HydrophobicContact CG1-CB 4.27Å; V472-F497 HydrophobicContact CG1-CD2 3.86Å; V473-F497 WeakPolarHBondContact O-CB 3.39Å; V473-F497 PolarHBondContact O-N 2.97Å; F497-W499 PolarHBondContact O-N 3.04Å; F497-V500 HydrophobicContact CD2-CB 4.08Å; F497-V500 HydrophobicContact CD2-CG2 4.01Å; F497-V500 HydrophobicContact CE2-CB 3.87Å; F497-V500 HydrophobicContact CE2-CG1 3.88Å; F497-V500 HydrophobicContact CE2-CG2 4.05Å; F497-V500 HydrophobicContact CZ-CB 4.19Å; F497-V500 HydrophobicContact CZ-CG1 4.01Å; F497-V500 WeakPolarHBondContact O-CB 3.49Å; F497-V500 PolarHBondContact O-N 3.49Å; F497-K501 HydrophobicContact CD1-CD 4.04Å; F497-K501 HydrophobicContact CD1-CG 3.92Å; F497-K501 HydrophobicContact CE1-CD 4.27Å; F497-K501 HydrophobicContact CE1-CG 3.77Å; F497-K501 PolarHBondContact O-N 2.96Å; F497-K501 VanDerWaalsContact O-N 3.07Å
498	E	97.5	Very high	96.6	Very high	60 Å²	60	41 Å²	41	28%	0.28	18%	0.18	S	C	.	.	H	α-helix	trans	-55.2	-31.3	169.5	-78.3	45.4	-111.7	0	0	112.7	K496 K501 A502 Y515	K496-E498 HydrophobicContact CB-CB 4.29Å; K496-E498 PolarHBondContact O-N 2.72Å; E498-K501 PolarHBondContact O-N 2.83Å; E498-K501 WeakPolarHBondContact OE1-CD 3.21Å; E498-K501 IonicContact OE1-NZ 3.67Å; E498-K501 PolarHBondContact OE1-NZ 2.84Å; E498-A502 VanDerWaalsContact O-CB 3.32Å; E498-A502 WeakPolarHBondContact O-CB 3.42Å; E498-A502 PolarHBondContact O-N 2.85Å; E498-Y515 HydrophobicContact CB-CD1 3.85Å; E498-Y515 HydrophobicContact CB-CE1 3.99Å
499	W	97.7	Very high	96.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-61.8	-47.9	171	179.4	78.9	0	0	0	111.3	L436 L452 L456 V472 L495 K496 F497 K501 A502 C503 E510 Y515	L436-W499 HydrophobicContact CD2-CH2 4.08Å; L436-W499 HydrophobicContact CD2-CZ3 4.47Å; L452-W499 HydrophobicContact CD2-CE3 4.08Å; L452-W499 HydrophobicContact CD2-CH2 4.17Å; L452-W499 HydrophobicContact CD2-CZ3 3.67Å; L456-W499 HydrophobicContact CD1-CH2 4.14Å; L456-W499 HydrophobicContact CD1-CZ2 4.4Å; V472-W499 HydrophobicContact CG2-CE3 4.3Å; V472-W499 HydrophobicContact CG2-CZ3 4.26Å; L495-W499 HydrophobicContact CB-CB 4.37Å; L495-W499 HydrophobicContact CD1-CB 4.29Å; L495-W499 HydrophobicContact CD1-CD2 3.5Å; L495-W499 HydrophobicContact CD1-CE3 3.99Å; L495-W499 HydrophobicContact CD1-CG 3.65Å; L495-W499 HydrophobicContact CD1-CZ2 4.14Å; K496-W499 VanDerWaalsContact O-CB 3.29Å; K496-W499 WeakPolarHBondContact O-CB 3.26Å; K496-W499 PolarHBondContact O-N 2.75Å; F497-W499 PolarHBondContact O-N 3.04Å; W499-K501 VanDerWaalsContact C-N 3.34Å; W499-K501 PolarHBondContact O-N 3.06Å; W499-A502 PolarHBondContact O-N 2.83Å; W499-C503 VanDerWaalsContact CE2-SG 3.57Å; W499-C503 PolarHBondContact O-N 2.83Å; W499-C503 PolarHBondContact O-SG 2.98Å; W499-E510 PolarHBondContact NE1-O 2.99Å; W499-Y515 HydrophobicContact CB-CD1 4.12Å; W499-Y515 HydrophobicContact CB-CD2 4.18Å; W499-Y515 HydrophobicContact CB-CG 3.73Å; W499-Y515 AromaticContact CD1-CD2 3.77Å; W499-Y515 HydrophobicContact CG-CD2 4.39Å; W499-Y515 HydrophobicContact CG-CG 4.38Å
500	V	97.6	Very high	96.2	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-60.6	-46.5	177.7	-179.3	0	0	0	0	110.3	M448 L449 L452 V472 F497 A502 C503 L504	M448-V500 HydrophobicContact CB-CG1 4.24Å; L449-V500 HydrophobicContact CD1-CG2 4.01Å; L452-V500 HydrophobicContact CB-CG1 4.35Å; L452-V500 HydrophobicContact CD2-CB 4.14Å; L452-V500 HydrophobicContact CD2-CG1 3.92Å; L452-V500 HydrophobicContact CD2-CG2 4.07Å; V472-V500 HydrophobicContact CG1-CG2 3.78Å; V472-V500 HydrophobicContact CG2-CG2 4.11Å; F497-V500 HydrophobicContact CD2-CB 4.08Å; F497-V500 HydrophobicContact CD2-CG2 4.01Å; F497-V500 HydrophobicContact CE2-CB 3.87Å; F497-V500 HydrophobicContact CE2-CG1 3.88Å; F497-V500 HydrophobicContact CE2-CG2 4.05Å; F497-V500 HydrophobicContact CZ-CB 4.19Å; F497-V500 HydrophobicContact CZ-CG1 4.01Å; F497-V500 WeakPolarHBondContact O-CB 3.49Å; F497-V500 PolarHBondContact O-N 3.49Å; V500-A502 PolarHBondContact O-N 2.85Å; V500-C503 PolarHBondContact O-N 3.45Å; V500-L504 HydrophobicContact CG1-CD1 3.91Å; V500-L504 HydrophobicContact CG1-CG 4.37Å; V500-L504 WeakPolarHBondContact O-CB 3.46Å; V500-L504 VanDerWaalsContact O-CG 3.31Å; V500-L504 WeakPolarHBondContact O-CG 3.37Å; V500-L504 PolarHBondContact O-N 3.41Å
501	K	97.3	Very high	96.2	Very high	72 Å²	72	47.6 Å²	47.6	31%	0.313	21%	0.212	S	C	.	.	H	α-helix	trans	-60.7	-29.2	175	-67.1	169.7	173.4	159.4	0	113	M448 F497 E498 W499 R505	M448-K501 HydrophobicContact CE-CG 4.31Å; F497-K501 HydrophobicContact CD1-CD 4.04Å; F497-K501 HydrophobicContact CD1-CG 3.92Å; F497-K501 HydrophobicContact CE1-CD 4.27Å; F497-K501 HydrophobicContact CE1-CG 3.77Å; F497-K501 PolarHBondContact O-N 2.96Å; F497-K501 VanDerWaalsContact O-N 3.07Å; E498-K501 PolarHBondContact O-N 2.83Å; E498-K501 WeakPolarHBondContact OE1-CD 3.21Å; E498-K501 IonicContact OE1-NZ 3.67Å; E498-K501 PolarHBondContact OE1-NZ 2.84Å; W499-K501 VanDerWaalsContact C-N 3.34Å; W499-K501 PolarHBondContact O-N 3.06Å; K501-R505 WeakPolarHBondContact O-CD 3.45Å; K501-R505 VanDerWaalsContact O-CG 3.26Å; K501-R505 WeakPolarHBondContact O-CG 3.37Å; K501-R505 PolarHBondContact O-NH1 3.49Å
502	A	97.2	Very high	96.2	Very high	9 Å²	9	47.9 Å²	47.9	7%	0.074	21%	0.213	C	C	.	.	H	α-helix	trans	-83	-46.7	179.1	0	0	0	0	0	111.6	E498 W499 V500 L504 R505 R506 E510 Y515	E498-A502 VanDerWaalsContact O-CB 3.32Å; E498-A502 WeakPolarHBondContact O-CB 3.42Å; E498-A502 PolarHBondContact O-N 2.85Å; W499-A502 PolarHBondContact O-N 2.83Å; V500-A502 PolarHBondContact O-N 2.85Å; A502-L504 PolarHBondContact O-N 2.83Å; A502-R505 PolarHBondContact O-N 3.3Å; A502-R506 PolarHBondContact O-N 2.85Å; A502-R506 VanDerWaalsContact O-N 3.11Å; A502-E510 HydrophobicContact CB-CG 3.81Å; A502-Y515 HydrophobicContact CB-CE1 4.41Å
503	C	96.9	Very high	96.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-60	-44.7	177.8	-61.2	0	0	0	0	112.2	L452 W499 V500 R505 R506 K507 V508 E510	L452-C503 HydrophobicContact CD1-CB 3.41Å; L452-C503 VanDerWaalsContact CD1-CB 3.41Å; L452-C503 HydrophobicContact CD2-CB 3.88Å; L452-C503 HydrophobicContact CG-CB 4.32Å; W499-C503 VanDerWaalsContact CE2-SG 3.57Å; W499-C503 PolarHBondContact O-N 2.83Å; W499-C503 PolarHBondContact O-SG 2.98Å; V500-C503 PolarHBondContact O-N 3.45Å; C503-R505 PolarHBondContact O-N 3.19Å; C503-R506 PolarHBondContact O-N 2.86Å; C503-K507 VanDerWaalsContact O-CA 3.32Å; C503-K507 WeakPolarHBondContact O-CA 3.47Å; C503-K507 PolarHBondContact O-N 2.86Å; C503-V508 VanDerWaalsContact CA-O 3.27Å; C503-V508 WeakPolarHBondContact CA-O 3.27Å; C503-V508 VanDerWaalsContact CB-O 3.24Å; C503-V508 WeakPolarHBondContact CB-O 3.24Å; C503-E510 PolarHBondContact SG-N 2.79Å
504	L	96.9	Very high	96	Very high	24 Å²	24	56.4 Å²	56.4	13%	0.126	25%	0.251	C	S	.	.	H	α-helix	trans	-60.4	-43	177.7	-73.4	174.1	0	0	0	112.5	M448 E451 L452 I455 V500 A502	M448-L504 HydrophobicContact CB-CD1 3.91Å; M448-L504 HydrophobicContact CE-CD1 3.69Å; M448-L504 HydrophobicContact CG-CD1 4.36Å; E451-L504 HydrophobicContact CB-CD2 4.23Å; E451-L504 HydrophobicContact CG-CD2 3.92Å; L452-L504 HydrophobicContact CB-CD2 3.84Å; L452-L504 HydrophobicContact CB-CG 4.23Å; L452-L504 HydrophobicContact CD1-CD2 4.25Å; L452-L504 HydrophobicContact CD1-CG 4.46Å; I455-L504 HydrophobicContact CD1-CD2 3.71Å; V500-L504 HydrophobicContact CG1-CD1 3.91Å; V500-L504 HydrophobicContact CG1-CG 4.37Å; V500-L504 WeakPolarHBondContact O-CB 3.46Å; V500-L504 VanDerWaalsContact O-CG 3.31Å; V500-L504 WeakPolarHBondContact O-CG 3.37Å; V500-L504 PolarHBondContact O-N 3.41Å; A502-L504 PolarHBondContact O-N 2.83Å
505	R	96.9	Very high	96	Very high	193 Å²	193	57.8 Å²	57.8	73%	0.728	26%	0.257	S	S	*	.	H	α-helix	trans	-67	-36.3	179.2	-71.3	179.4	-166.7	119.1	-14.9	113	K501 A502 C503	K501-R505 WeakPolarHBondContact O-CD 3.45Å; K501-R505 VanDerWaalsContact O-CG 3.26Å; K501-R505 WeakPolarHBondContact O-CG 3.37Å; K501-R505 PolarHBondContact O-NH1 3.49Å; A502-R505 PolarHBondContact O-N 3.3Å; C503-R505 PolarHBondContact O-N 3.19Å
506	R	95.1	Very high	95.9	Very high	154 Å²	154	58.5 Å²	58.5	58%	0.581	26%	0.26	S	S	*	.	H	α-helix	trans	-95.6	-10.9	-176.3	-66.1	175.2	166.9	-160.4	-6.6	113.8	A502 C503 V508 E510	A502-R506 PolarHBondContact O-N 2.85Å; A502-R506 VanDerWaalsContact O-N 3.11Å; C503-R506 PolarHBondContact O-N 2.86Å; R506-V508 HydrophobicContact CB-CG2 3.83Å; R506-V508 PolarHBondContact O-N 3.25Å; R506-E510 WeakPolarHBondContact CD-OE1 3.43Å; R506-E510 IonicContact CZ-OE1 2.68Å; R506-E510 IonicContact CZ-OE2 3.79Å; R506-E510 IonicContact NE-OE1 2.9Å; R506-E510 IonicContact NH1-OE1 3.47Å; R506-E510 PolarHBondContact NH1-OE1 2.68Å; R506-E510 IonicContact NH1-OE2 3.66Å; R506-E510 PolarHBondContact NH1-OE2 3.18Å
507	K	93.6	Very high	95.9	Very high	162 Å²	162	56.5 Å²	56.5	70%	0.704	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.9	30.1	-175.4	-57.2	-175.2	179.6	-177.5	0	114.4	C503	C503-K507 VanDerWaalsContact O-CA 3.32Å; C503-K507 WeakPolarHBondContact O-CA 3.47Å; C503-K507 PolarHBondContact O-N 2.86Å
508	V	93.1	Very high	95.7	Very high	75 Å²	75	59.6 Å²	59.6	46%	0.455	27%	0.272	S	S	.	.	S	Bend	trans	-134.6	160.2	176.7	-62.2	0	0	0	0	110	C503 R506 E510	C503-V508 VanDerWaalsContact CA-O 3.27Å; C503-V508 WeakPolarHBondContact CA-O 3.27Å; C503-V508 VanDerWaalsContact CB-O 3.24Å; C503-V508 WeakPolarHBondContact CB-O 3.24Å; R506-V508 HydrophobicContact CB-CG2 3.83Å; R506-V508 PolarHBondContact O-N 3.25Å; V508-E510 PolarHBondContact O-N 3.22Å
509	C	92.2	Very high	95.5	Very high	22 Å²	22	62.8 Å²	62.8	15%	0.149	29%	0.287	C	S	.	.			trans	-75.5	103.2	169.1	-163	0	0	0	0	108.9	R429 L456	R429-C509 PolarHBondContact NH1-O 3.48Å; R429-C509 PolarHBondContact NH2-O 3.34Å; R429-C509 PolarHBondContact NH2-SG 3.18Å; R429-C509 VanDerWaalsContact NH2-SG 3.42Å; L456-C509 HydrophobicContact CD1-CB 4.08Å; L456-C509 HydrophobicContact CD2-CB 3.79Å
510	E	94.6	Very high	95.3	Very high	19 Å²	19	62.8 Å²	62.8	9%	0.089	29%	0.287	C	S	.	.			trans	-61.8	150.2	174.2	-76.3	-78.2	110.1	0	0	111.4	R429 W499 A502 C503 R506 V508 E512 Y515	R429-E510 PolarHBondContact NH2-O 3.5Å; W499-E510 PolarHBondContact NE1-O 2.99Å; A502-E510 HydrophobicContact CB-CG 3.81Å; C503-E510 PolarHBondContact SG-N 2.79Å; R506-E510 WeakPolarHBondContact CD-OE1 3.43Å; R506-E510 IonicContact CZ-OE1 2.68Å; R506-E510 IonicContact CZ-OE2 3.79Å; R506-E510 IonicContact NE-OE1 2.9Å; R506-E510 IonicContact NH1-OE1 3.47Å; R506-E510 PolarHBondContact NH1-OE1 2.68Å; R506-E510 IonicContact NH1-OE2 3.66Å; R506-E510 PolarHBondContact NH1-OE2 3.18Å; V508-E510 PolarHBondContact O-N 3.22Å; E510-E512 PolarHBondContact O-N 3.45Å; E510-Y515 HydrophobicContact CB-CE2 4.17Å
511	Q	94.1	Very high	95.2	Very high	124 Å²	124	62.9 Å²	62.9	58%	0.579	29%	0.288	S	S	*	.			trans	-56.9	123.2	177.5	-178.5	172.9	12.3	0	0	111.7	E513 Y515	Q511-E513 WeakPolarHBondContact CG-OE2 3.33Å; Q511-E513 PolarHBondContact NE2-OE2 3.42Å; Q511-Y515 WeakPolarHBondContact O-CD2 3.22Å
512	E	95.6	Very high	95.1	Very high	8 Å²	8	66 Å²	66	4%	0.037	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-70.6	-40.3	-168.1	-67.8	87.3	147.8	0	0	112.9	R429 H470 W493 L495 E510 K514 Y515 E516	R429-E512 IonicContact CZ-OE1 3.87Å; R429-E512 IonicContact CZ-OE2 2.93Å; R429-E512 IonicContact NE-OE1 3.24Å; R429-E512 PolarHBondContact NE-OE1 3.07Å; R429-E512 IonicContact NE-OE2 2.68Å; R429-E512 PolarHBondContact NE-OE2 3.49Å; R429-E512 VanDerWaalsContact NH2-CD 3.33Å; R429-E512 IonicContact NH2-OE1 3.8Å; R429-E512 PolarHBondContact NH2-OE1 2.94Å; R429-E512 IonicContact NH2-OE2 3.8Å; R429-E512 PolarHBondContact NH2-OE2 3.38Å; H470-E512 IonicContact NE2-OE1 3.73Å; W493-E512 HydrophobicContact CD2-CB 3.65Å; W493-E512 HydrophobicContact CD2-CG 4.19Å; W493-E512 HydrophobicContact CE3-CB 3.62Å; W493-E512 HydrophobicContact CG-CB 4.32Å; W493-E512 HydrophobicContact CG-CG 4.41Å; W493-E512 HydrophobicContact CH2-CB 3.89Å; W493-E512 HydrophobicContact CZ2-CB 3.91Å; W493-E512 HydrophobicContact CZ3-CB 3.73Å; L495-E512 HydrophobicContact CD1-CB 4.26Å; L495-E512 HydrophobicContact CD1-CG 4.11Å; L495-E512 HydrophobicContact CD2-CB 4.38Å; L495-E512 WeakPolarHBondContact CD2-O 3.3Å; E510-E512 PolarHBondContact O-N 3.45Å; E512-K514 PolarHBondContact O-N 3.34Å; E512-K514 VanDerWaalsContact O-N 3.11Å; E512-Y515 PolarHBondContact O-N 3.31Å; E512-E516 PolarHBondContact O-N 2.9Å; E512-E516 VanDerWaalsContact O-N 3.12Å
513	E	94.1	Very high	95	Very high	76 Å²	76	70 Å²	70	36%	0.355	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-57.9	-31.7	-176.9	-63	83.3	178.2	0	0	113.1	W493 Q511 Y515 E516	W493-E513 HydrophobicContact CH2-CG 3.73Å; W493-E513 WeakPolarHBondContact CH2-OE1 3.49Å; W493-E513 HydrophobicContact CZ3-CG 3.95Å; Q511-E513 WeakPolarHBondContact CG-OE2 3.33Å; Q511-E513 PolarHBondContact NE2-OE2 3.42Å; E513-Y515 PolarHBondContact O-N 2.87Å; E513-E516 PolarHBondContact O-N 3.47Å
514	K	95.3	Very high	95	Very high	135 Å²	135	70.1 Å²	70.1	59%	0.587	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-66.6	-22.1	-179.7	-179.3	179.2	171.5	-162.9	0	113	E512	E512-K514 PolarHBondContact O-N 3.34Å; E512-K514 VanDerWaalsContact O-N 3.11Å
515	Y	96.9	Very high	94.9	Very high	30 Å²	30	69.5 Å²	69.5	12%	0.118	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-118.6	4.9	-176.9	-58.7	-87.9	0	0	0	112.7	L495 K496 E498 W499 A502 E510 Q511 E512 E513	L495-Y515 WeakPolarHBondContact CA-O 3.24Å; K496-Y515 WeakPolarHBondContact CG-O 3.43Å; K496-Y515 PolarHBondContact N-O 3.02Å; E498-Y515 HydrophobicContact CB-CD1 3.85Å; E498-Y515 HydrophobicContact CB-CE1 3.99Å; W499-Y515 HydrophobicContact CB-CD1 4.12Å; W499-Y515 HydrophobicContact CB-CD2 4.18Å; W499-Y515 HydrophobicContact CB-CG 3.73Å; W499-Y515 AromaticContact CD1-CD2 3.77Å; W499-Y515 HydrophobicContact CG-CD2 4.39Å; W499-Y515 HydrophobicContact CG-CG 4.38Å; A502-Y515 HydrophobicContact CB-CE1 4.41Å; E510-Y515 HydrophobicContact CB-CE2 4.17Å; Q511-Y515 WeakPolarHBondContact O-CD2 3.22Å; E512-Y515 PolarHBondContact O-N 3.31Å; E513-Y515 PolarHBondContact O-N 2.87Å
516	E	97	Very high	94.6	Very high	15 Å²	15	63.3 Å²	63.3	7%	0.07	29%	0.289	C	S	.	.	B	Isolated β-bridge	trans	-64.8	140.1	175.4	179.2	163.6	-128	0	0	111.1	W493 L495 E512 E513 R522 R525	W493-E516 HydrophobicContact CE3-CB 4.48Å; W493-E516 HydrophobicContact CZ3-CB 4.48Å; L495-E516 HydrophobicContact CD2-CB 4.13Å; E512-E516 PolarHBondContact O-N 2.9Å; E512-E516 VanDerWaalsContact O-N 3.12Å; E513-E516 PolarHBondContact O-N 3.47Å; E516-R522 HydrophobicContact CG-CB 4.25Å; E516-R522 WeakPolarHBondContact OE2-CG 3.42Å; E516-R525 WeakPolarHBondContact OE1-CD 3.38Å; E516-R525 IonicContact OE1-CZ 2.62Å; E516-R525 IonicContact OE1-NE 3.38Å; E516-R525 PolarHBondContact OE1-NE 2.98Å; E516-R525 IonicContact OE1-NH2 2.94Å; E516-R525 IonicContact OE2-CZ 2.69Å; E516-R525 IonicContact OE2-NE 3.48Å; E516-R525 PolarHBondContact OE2-NE 2.81Å; E516-R525 IonicContact OE2-NH2 2.73Å; E516-R525 PolarHBondContact OE2-NH2 3.49Å
517	I	95.9	Very high	94.5	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.026	27%	0.265	C	S	.	.			trans	-75.8	127.8	170.4	-51.6	-71.5	0	0	0	108	V473 D476 V478 I494 K496 P521	V473-I517 HydrophobicContact CG2-CD1 3.74Å; V473-I517 HydrophobicContact CG2-CG1 3.91Å; D476-I517 WeakPolarHBondContact O-CD1 3.4Å; V478-I517 HydrophobicContact CG2-CB 4.25Å; V478-I517 HydrophobicContact CG2-CG2 3.46Å; V478-I517 VanDerWaalsContact CG2-CG2 3.46Å; I494-I517 HydrophobicContact CG2-CG1 4.05Å; I494-I517 WeakPolarHBondContact O-CG1 3.35Å; I494-I517 PolarHBondContact O-N 2.82Å; K496-I517 HydrophobicContact CD-CD1 4.38Å; K496-I517 HydrophobicContact CG-CD1 3.45Å; K496-I517 VanDerWaalsContact CG-CD1 3.45Å; I517-P521 HydrophobicContact CB-CG 4.27Å; I517-P521 HydrophobicContact CG2-CG 4.47Å
518	P	93.7	Very high	94.2	Very high	68 Å²	68	53.9 Å²	53.9	44%	0.442	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-178.2	-177.3	29.7	-37	0	0	0	113	P521	P518-P521 WeakPolarHBondContact O-CD 3.39Å
519	E	93.6	Very high	93.9	Very high	127 Å²	127	54 Å²	54	59%	0.593	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.6	-126.5	-177.8	-49.5	-42.8	113.1	0	0	114.4	R522 R523	E519-R522 PolarHBondContact O-N 3.08Å; E519-R522 VanDerWaalsContact O-N 3.14Å; E519-R523 PolarHBondContact O-N 2.94Å
520	G	94.1	Very high	93.5	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.01	26%	0.263	C	S	.	.	H	α-helix	trans	-53.5	-47.1	-167.9	0	0	0	0	0	116.1	R522 R523 S524 S633 F634	G520-R522 PolarHBondContact O-N 2.81Å; G520-R523 PolarHBondContact O-N 3.16Å; G520-S524 WeakPolarHBondContact O-CB 3.2Å; G520-S524 PolarHBondContact O-N 3.46Å; G520-S633 VanDerWaalsContact CA-C 3.43Å; G520-S633 WeakPolarHBondContact CA-O 3.29Å; G520-F634 WeakPolarHBondContact O-CB 3.41Å
521	P	96.3	Very high	92.9	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.006	27%	0.268	C	S	.	.	H	α-helix	trans	-50.4	-53.7	171.9	-30.1	35.4	0	0	0	113.9	V478 I488 I494 I517 P518 S524 R525	V478-P521 HydrophobicContact CG2-CG 3.6Å; I488-P521 HydrophobicContact CD1-CG 4Å; I488-P521 HydrophobicContact CG1-CB 4.44Å; I488-P521 HydrophobicContact CG1-CG 4.01Å; I494-P521 HydrophobicContact CB-CB 3.8Å; I494-P521 HydrophobicContact CB-CG 4.08Å; I494-P521 HydrophobicContact CG1-CB 3.63Å; I494-P521 HydrophobicContact CG1-CG 4Å; I494-P521 HydrophobicContact CG2-CG 4.47Å; I517-P521 HydrophobicContact CB-CG 4.27Å; I517-P521 HydrophobicContact CG2-CG 4.47Å; P518-P521 WeakPolarHBondContact O-CD 3.39Å; P521-S524 PolarHBondContact O-N 2.96Å; P521-R525 PolarHBondContact O-N 3.04Å
522	R	94.4	Very high	92.6	Very high	137 Å²	137	54.5 Å²	54.5	52%	0.517	25%	0.247	S	C	.	.	H	α-helix	trans	-66.4	-41.1	-178.1	-176.3	171	179.4	-155	-0.1	111.6	E516 E519 G520 S524 R525 L526	E516-R522 HydrophobicContact CG-CB 4.25Å; E516-R522 WeakPolarHBondContact OE2-CG 3.42Å; E519-R522 PolarHBondContact O-N 3.08Å; E519-R522 VanDerWaalsContact O-N 3.14Å; G520-R522 PolarHBondContact O-N 2.81Å; R522-S524 VanDerWaalsContact C-N 3.31Å; R522-S524 PolarHBondContact O-N 3.19Å; R522-R525 PolarHBondContact O-N 2.68Å; R522-L526 HydrophobicContact CG-CD1 4.02Å; R522-L526 WeakPolarHBondContact O-CB 3.33Å; R522-L526 VanDerWaalsContact O-CG 3.28Å; R522-L526 WeakPolarHBondContact O-CG 3.49Å; R522-L526 PolarHBondContact O-N 3.25Å; R522-L526 VanDerWaalsContact O-N 3.08Å
523	R	95.3	Very high	92.3	Very high	94 Å²	94	54.1 Å²	54.1	36%	0.355	25%	0.246	S	C	.	.	H	α-helix	trans	-56.2	-45.6	172.5	-76.1	-163.2	-91.8	174.9	-16.1	111.4	E519 G520 N527 S633 F634 E635	E519-R523 PolarHBondContact O-N 2.94Å; G520-R523 PolarHBondContact O-N 3.16Å; R523-N527 VanDerWaalsContact O-CB 3.31Å; R523-N527 WeakPolarHBondContact O-CB 3.28Å; R523-N527 PolarHBondContact O-N 3.21Å; R523-S633 PolarHBondContact NE-O 3.5Å; R523-S633 PolarHBondContact NH2-O 3.28Å; R523-F634 HydrophobicContact CB-CB 4.38Å; R523-F634 HydrophobicContact CB-CD1 4.16Å; R523-E635 IonicContact CZ-OE2 2.59Å; R523-E635 IonicContact NH1-OE2 3.65Å; R523-E635 PolarHBondContact NH1-OE2 3.33Å; R523-E635 IonicContact NH2-OE2 2.71Å; R523-E635 PolarHBondContact NH2-OE2 3.23Å
524	S	96.6	Very high	92.2	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-71.1	-41.6	-178.7	-161.2	0	0	0	0	113.9	I488 G520 P521 R522 L526 N527 R528 F634	I488-S524 VanDerWaalsContact O-CB 3.31Å; I488-S524 WeakPolarHBondContact O-CB 3.47Å; I488-S524 PolarHBondContact O-OG 3.23Å; G520-S524 WeakPolarHBondContact O-CB 3.2Å; G520-S524 PolarHBondContact O-N 3.46Å; P521-S524 PolarHBondContact O-N 2.96Å; R522-S524 VanDerWaalsContact C-N 3.31Å; R522-S524 PolarHBondContact O-N 3.19Å; S524-L526 VanDerWaalsContact C-N 3.35Å; S524-L526 PolarHBondContact O-N 2.83Å; S524-N527 PolarHBondContact O-N 3.2Å; S524-R528 PolarHBondContact O-N 2.88Å; S524-F634 VanDerWaalsContact CB-CD2 3.42Å; S524-F634 VanDerWaalsContact CB-CG 3.49Å; S524-F634 WeakPolarHBondContact OG-CD2 3.28Å; S524-F634 WeakPolarHBondContact OG-CE2 3.27Å; S524-F634 VanDerWaalsContact OG-CZ 3.26Å; S524-F634 WeakPolarHBondContact OG-CZ 3.44Å
525	R	95.4	Very high	92.3	Very high	10 Å²	10	48.1 Å²	48.1	4%	0.038	22%	0.219	C	C	.	.	H	α-helix	trans	-59.1	-47.6	176.2	-178.3	-175	59.1	84.2	-10.7	111.1	W493 E516 P521 R522 R528 E529	W493-R525 VanDerWaalsContact CD2-CD 3.5Å; W493-R525 VanDerWaalsContact CE3-CD 3.41Å; E516-R525 WeakPolarHBondContact OE1-CD 3.38Å; E516-R525 IonicContact OE1-CZ 2.62Å; E516-R525 IonicContact OE1-NE 3.38Å; E516-R525 PolarHBondContact OE1-NE 2.98Å; E516-R525 IonicContact OE1-NH2 2.94Å; E516-R525 IonicContact OE2-CZ 2.69Å; E516-R525 IonicContact OE2-NE 3.48Å; E516-R525 PolarHBondContact OE2-NE 2.81Å; E516-R525 IonicContact OE2-NH2 2.73Å; E516-R525 PolarHBondContact OE2-NH2 3.49Å; P521-R525 PolarHBondContact O-N 3.04Å; R522-R525 PolarHBondContact O-N 2.68Å; R525-R528 PolarHBondContact O-N 3.27Å; R525-E529 WeakPolarHBondContact CD-OE1 3.38Å; R525-E529 WeakPolarHBondContact CG-OE1 3.38Å; R525-E529 IonicContact CZ-OE2 3.02Å; R525-E529 VanDerWaalsContact NH1-CD 3.3Å; R525-E529 IonicContact NH1-OE1 3.05Å; R525-E529 PolarHBondContact NH1-OE1 2.88Å; R525-E529 VanDerWaalsContact NH1-OE1 3.11Å; R525-E529 IonicContact NH1-OE2 2.9Å; R525-E529 PolarHBondContact NH1-OE2 3.19Å; R525-E529 WeakPolarHBondContact O-CG 3.29Å; R525-E529 PolarHBondContact O-N 3.4Å
526	L	91	Very high	92.3	Very high	63 Å²	63	46.7 Å²	46.7	33%	0.33	21%	0.213	S	C	.	.	H	α-helix	trans	-63.1	-41.9	177.1	-67.8	171.2	0	0	0	111.9	R522 S524 R528 E529 Q530	R522-L526 HydrophobicContact CG-CD1 4.02Å; R522-L526 WeakPolarHBondContact O-CB 3.33Å; R522-L526 VanDerWaalsContact O-CG 3.28Å; R522-L526 WeakPolarHBondContact O-CG 3.49Å; R522-L526 PolarHBondContact O-N 3.25Å; R522-L526 VanDerWaalsContact O-N 3.08Å; S524-L526 VanDerWaalsContact C-N 3.35Å; S524-L526 PolarHBondContact O-N 2.83Å; L526-R528 VanDerWaalsContact C-N 3.35Å; L526-R528 PolarHBondContact O-N 2.93Å; L526-E529 PolarHBondContact O-N 3.08Å; L526-Q530 WeakPolarHBondContact O-CB 3.49Å; L526-Q530 VanDerWaalsContact O-CG 3.27Å; L526-Q530 WeakPolarHBondContact O-CG 3.26Å; L526-Q530 PolarHBondContact O-N 2.7Å
527	N	91.4	Very high	91.9	Very high	16 Å²	16	47.1 Å²	47.1	9%	0.086	22%	0.215	C	C	.	.	H	α-helix	trans	-58.2	-42.2	173.6	167.8	-93.4	0	0	0	112.6	R523 S524 L531 L532 P533 H587 F634	R523-N527 VanDerWaalsContact O-CB 3.31Å; R523-N527 WeakPolarHBondContact O-CB 3.28Å; R523-N527 PolarHBondContact O-N 3.21Å; S524-N527 PolarHBondContact O-N 3.2Å; N527-L531 PolarHBondContact O-N 3.46Å; N527-L532 VanDerWaalsContact ND2-CB 3.26Å; N527-L532 WeakPolarHBondContact ND2-CB 3.29Å; N527-L532 PolarHBondContact O-N 3.22Å; N527-L532 VanDerWaalsContact O-N 3.13Å; N527-P533 PolarHBondContact ND2-O 3.05Å; N527-P533 PolarHBondContact OD1-O 3.43Å; N527-H587 PolarHBondContact ND2-CE1 3.49Å; N527-H587 VanDerWaalsContact ND2-CE1 3.33Å; N527-F634 HydrophobicContact CB-CE1 3.71Å; N527-F634 HydrophobicContact CB-CZ 4.17Å; N527-F634 WeakPolarHBondContact OD1-CZ 3.46Å
528	R	88.2	Confident	91.4	Very high	103 Å²	103	47.3 Å²	47.3	39%	0.389	22%	0.219	S	C	.	.	H	α-helix	trans	-69.9	-35.5	175.3	-176	172.1	-175.9	-163	4.4	112.8	N490 S524 R525 L526 L531	N490-R528 WeakPolarHBondContact O-CD 3.4Å; N490-R528 PolarHBondContact O-NE 3.07Å; N490-R528 PolarHBondContact O-NH1 2.87Å; S524-R528 PolarHBondContact O-N 2.88Å; R525-R528 PolarHBondContact O-N 3.27Å; L526-R528 VanDerWaalsContact C-N 3.35Å; L526-R528 PolarHBondContact O-N 2.93Å; R528-L531 PolarHBondContact O-N 3.48Å
529	E	85.8	Confident	91.4	Very high	77 Å²	77	44.1 Å²	44.1	36%	0.36	20%	0.198	S	C	.	.	H	α-helix	trans	-69.4	-33.9	176.9	-77.2	163.2	-166.8	0	0	112.3	R430 R525 L526 L531	R430-E529 IonicContact NH2-OE1 3.93Å; R430-E529 PolarHBondContact NH2-OE1 2.93Å; R525-E529 WeakPolarHBondContact CD-OE1 3.38Å; R525-E529 WeakPolarHBondContact CG-OE1 3.38Å; R525-E529 IonicContact CZ-OE2 3.02Å; R525-E529 VanDerWaalsContact NH1-CD 3.3Å; R525-E529 IonicContact NH1-OE1 3.05Å; R525-E529 PolarHBondContact NH1-OE1 2.88Å; R525-E529 VanDerWaalsContact NH1-OE1 3.11Å; R525-E529 IonicContact NH1-OE2 2.9Å; R525-E529 PolarHBondContact NH1-OE2 3.19Å; R525-E529 WeakPolarHBondContact O-CG 3.29Å; R525-E529 PolarHBondContact O-N 3.4Å; L526-E529 PolarHBondContact O-N 3.08Å; E529-L531 PolarHBondContact O-N 3.46Å
530	Q	83.6	Confident	91.4	Very high	109 Å²	109	39.9 Å²	39.9	51%	0.509	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	5.4	174.5	-67.4	169.3	0.5	0	0	113.9	L526 L532	L526-Q530 WeakPolarHBondContact O-CB 3.49Å; L526-Q530 VanDerWaalsContact O-CG 3.27Å; L526-Q530 WeakPolarHBondContact O-CG 3.26Å; L526-Q530 PolarHBondContact O-N 2.7Å; Q530-L532 HydrophobicContact CB-CD1 4.03Å; Q530-L532 HydrophobicContact CB-CG 3.83Å; Q530-L532 PolarHBondContact O-N 2.91Å
531	L	83.4	Confident	91.5	Very high	40 Å²	40	39.8 Å²	39.8	21%	0.209	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	41.6	-179	-55.9	-179.4	0	0	0	113.2	K348 L350 N527 R528 E529	K348-L531 HydrophobicContact CB-CD1 3.96Å; K348-L531 HydrophobicContact CB-CD2 3.81Å; K348-L531 HydrophobicContact CG-CD1 4.2Å; K348-L531 HydrophobicContact CG-CD2 4.2Å; L350-L531 WeakPolarHBondContact CA-O 3.21Å; L350-L531 HydrophobicContact CD2-CB 4.21Å; L350-L531 WeakPolarHBondContact CD2-O 3.33Å; N527-L531 PolarHBondContact O-N 3.46Å; R528-L531 PolarHBondContact O-N 3.48Å; E529-L531 PolarHBondContact O-N 3.46Å
532	L	86.4	Confident	91.5	Very high	26 Å²	26	42 Å²	42	14%	0.136	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-92	159.9	178	-63.1	-178.5	0	0	0	111.7	N352 N527 Q530	N352-L532 HydrophobicContact CB-CD2 4.12Å; N352-L532 VanDerWaalsContact ND2-CD2 3.34Å; N352-L532 WeakPolarHBondContact ND2-CD2 3.46Å; N527-L532 VanDerWaalsContact ND2-CB 3.26Å; N527-L532 WeakPolarHBondContact ND2-CB 3.29Å; N527-L532 PolarHBondContact O-N 3.22Å; N527-L532 VanDerWaalsContact O-N 3.13Å; Q530-L532 HydrophobicContact CB-CD1 4.03Å; Q530-L532 HydrophobicContact CB-CG 3.83Å; Q530-L532 PolarHBondContact O-N 2.91Å
533	P	89.2	Confident	91.6	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-56.9	148	175.7	-26.9	37.2	0	0	0	113.1	N352 N527 D537 Y586 H587	N352-P533 WeakPolarHBondContact O-CG 3.44Å; N527-P533 PolarHBondContact ND2-O 3.05Å; N527-P533 PolarHBondContact OD1-O 3.43Å; P533-D537 HydrophobicContact CB-CB 3.86Å; P533-Y586 HydrophobicContact CB-CD1 4.23Å; P533-Y586 HydrophobicContact CB-CD2 4.35Å; P533-Y586 HydrophobicContact CB-CG 3.88Å; P533-Y586 HydrophobicContact CG-CD1 4.26Å; P533-Y586 HydrophobicContact CG-CD2 3.69Å; P533-Y586 HydrophobicContact CG-CE2 4.18Å; P533-Y586 HydrophobicContact CG-CG 3.74Å; P533-H587 PolarHBondContact O-NE2 3Å
534	K	93.5	Very high	91.4	Very high	84 Å²	84	35.2 Å²	35.2	37%	0.365	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-67.3	160.3	176.2	-62.1	-178.3	166.7	-167.6	0	111.8	F536 D537 A561 G562 H587	K534-F536 PolarHBondContact O-N 2.88Å; K534-D537 PolarHBondContact O-N 3.38Å; K534-A561 WeakPolarHBondContact CD-O 3.44Å; K534-A561 PolarHBondContact NZ-O 2.78Å; K534-G562 WeakPolarHBondContact CB-O 3.47Å; K534-H587 PolarHBondContact O-CD2 3.32Å; K534-H587 VanDerWaalsContact O-CD2 3.22Å; K534-H587 PolarHBondContact O-NE2 2.78Å
535	L	96.4	Very high	91.1	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-45	-39.3	-174.2	-171.5	61	0	0	0	114.9	L489 H587 C630 V631 F634	L489-L535 HydrophobicContact CD2-CB 4Å; L489-L535 HydrophobicContact CD2-CD2 3.78Å; L535-H587 WeakPolarHBondContact CA-CD2 3.47Å; L535-H587 HydrophobicContact CD1-CB 4.23Å; L535-H587 PolarHBondContact O-CD2 2.84Å; L535-C630 WeakPolarHBondContact CD2-O 3.49Å; L535-V631 HydrophobicContact CD2-CG2 4.45Å; L535-F634 HydrophobicContact CB-CD2 4.07Å; L535-F634 HydrophobicContact CB-CE2 3.63Å; L535-F634 HydrophobicContact CB-CZ 4.13Å; L535-F634 HydrophobicContact CD1-CD2 4.19Å; L535-F634 HydrophobicContact CD1-CE2 4.37Å; L535-F634 HydrophobicContact CD1-CG 4.28Å; L535-F634 HydrophobicContact CD2-CD2 4.11Å; L535-F634 HydrophobicContact CG-CD2 4.36Å; L535-F634 HydrophobicContact CG-CE2 4.39Å
536	F	96.1	Very high	90.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.7	19	-174.5	-56.6	-47	0	0	0	113.6	K534 G538 C539 F541 G562 G563 G564 F627 C630 V631 L636	K534-F536 PolarHBondContact O-N 2.88Å; F536-G538 PolarHBondContact O-N 3.33Å; F536-C539 HydrophobicContact CB-CB 4.18Å; F536-C539 WeakPolarHBondContact O-CB 3.44Å; F536-C539 PolarHBondContact O-N 3.2Å; F536-F541 HydrophobicContact CB-CE2 3.94Å; F536-F541 HydrophobicContact CB-CZ 4.15Å; F536-F541 HydrophobicContact CD1-CE2 4.4Å; F536-F541 AromaticContact CD1-CZ 3.75Å; F536-F541 HydrophobicContact CD1-CZ 3.75Å; F536-F541 HydrophobicContact CD2-CZ 4.33Å; F536-F541 HydrophobicContact CE1-CZ 4.17Å; F536-F541 HydrophobicContact CG-CE2 4.07Å; F536-F541 AromaticContact CG-CZ 3.84Å; F536-F541 HydrophobicContact CG-CZ 3.84Å; F536-G562 WeakPolarHBondContact CA-O 3.47Å; F536-G562 WeakPolarHBondContact CB-O 3.46Å; F536-G562 PolarHBondContact N-O 3.43Å; F536-G563 CarbonylContact O-C 3.31Å; F536-G564 VanDerWaalsContact O-CA 3.3Å; F536-G564 WeakPolarHBondContact O-CA 3.33Å; F536-G564 PolarHBondContact O-N 2.89Å; F536-F627 HydrophobicContact CD2-CE2 4.08Å; F536-F627 HydrophobicContact CD2-CZ 4.47Å; F536-F627 HydrophobicContact CE1-CE2 4.39Å; F536-F627 HydrophobicContact CE2-CD2 4.18Å; F536-F627 AromaticContact CE2-CE2 3.33Å; F536-F627 HydrophobicContact CE2-CE2 3.33Å; F536-F627 AromaticContact CE2-CZ 3.67Å; F536-F627 HydrophobicContact CE2-CZ 3.67Å; F536-F627 AromaticContact CZ-CD2 3.89Å; F536-F627 HydrophobicContact CZ-CD2 3.89Å; F536-F627 AromaticContact CZ-CE2 3.52Å; F536-F627 HydrophobicContact CZ-CE2 3.52Å; F536-F627 HydrophobicContact CZ-CZ 4.17Å; F536-C630 HydrophobicContact CE1-CB 4.25Å; F536-C630 HydrophobicContact CZ-CB 4.2Å; F536-V631 HydrophobicContact CE2-CG2 3.7Å; F536-V631 HydrophobicContact CZ-CG2 3.77Å; F536-L636 HydrophobicContact CD1-CD1 4.27Å; F536-L636 HydrophobicContact CE1-CD1 4.13Å
537	D	89.6	Confident	90.7	Very high	23 Å²	23	40.9 Å²	40.9	12%	0.123	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	134	170.4	-172.5	28.8	0	0	0	110.1	K321 T353 P533 K534 C539	K321-D537 IonicContact NZ-OD1 2.78Å; K321-D537 PolarHBondContact NZ-OD1 2.88Å; K321-D537 IonicContact NZ-OD2 3.97Å; K321-D537 PolarHBondContact NZ-OD2 3.06Å; T353-D537 PolarHBondContact OG1-OD2 3.4Å; P533-D537 HydrophobicContact CB-CB 3.86Å; K534-D537 PolarHBondContact O-N 3.38Å; D537-C539 VanDerWaalsContact C-N 3.28Å; D537-C539 PolarHBondContact O-N 2.95Å
538	G	86.3	Confident	90.4	Very high	10 Å²	10	48.2 Å²	48.2	10%	0.103	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	79	-9.6	-171.9	0	0	0	0	0	116.1	F536 T583 T598	F536-G538 PolarHBondContact O-N 3.33Å; G538-T583 WeakPolarHBondContact O-CB 3.36Å; G538-T583 PolarHBondContact O-OG1 3.32Å; G538-T598 WeakPolarHBondContact O-CB 3.23Å
539	C	93	Very high	90.3	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.007	24%	0.244	C	C	.	.			trans	-93.2	145.3	-176.3	-65.5	0	0	0	0	114.2	F536 D537 F541 G564 Q565 A585 T598 Y600	F536-C539 HydrophobicContact CB-CB 4.18Å; F536-C539 WeakPolarHBondContact O-CB 3.44Å; F536-C539 PolarHBondContact O-N 3.2Å; D537-C539 VanDerWaalsContact C-N 3.28Å; D537-C539 PolarHBondContact O-N 2.95Å; C539-F541 HydrophobicContact CB-CE2 3.5Å; C539-F541 HydrophobicContact CB-CZ 3.77Å; C539-G564 WeakPolarHBondContact O-CA 3.4Å; C539-Q565 PolarHBondContact O-N 3.44Å; C539-A585 VanDerWaalsContact SG-CB 3.52Å; C539-T598 WeakPolarHBondContact CA-O 3.5Å; C539-Y600 HydrophobicContact CB-CD2 4.47Å; C539-Y600 HydrophobicContact CB-CE2 4.14Å
540	Y	93.5	Very high	90.5	Very high	37 Å²	37	47.6 Å²	47.6	15%	0.145	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	131.2	-176.8	-70	-90.7	0	0	0	111.9	Q565 L567 I581 T583 T598 Q599 Y600	Y540-Q565 CarbonylContact C-O 3.52Å; Y540-Q565 WeakPolarHBondContact CA-O 3.42Å; Y540-Q565 HydrophobicContact CD1-CB 3.81Å; Y540-Q565 HydrophobicContact CE1-CB 3.87Å; Y540-Q565 HydrophobicContact CE1-CG 4.33Å; Y540-Q565 PolarHBondContact OH-OE1 3.44Å; Y540-L567 HydrophobicContact CD1-CD2 3.78Å; Y540-L567 HydrophobicContact CD1-CG 4.32Å; Y540-L567 HydrophobicContact CG-CD2 4.49Å; Y540-I581 HydrophobicContact CD1-CD1 4.47Å; Y540-I581 HydrophobicContact CD2-CG2 3.76Å; Y540-I581 HydrophobicContact CE2-CG2 3.45Å; Y540-I581 VanDerWaalsContact CE2-CG2 3.45Å; Y540-I581 HydrophobicContact CG-CD1 4.5Å; Y540-T583 HydrophobicContact CE2-CG2 3.81Å; Y540-T598 PolarHBondContact N-O 3.33Å; Y540-Q599 HydrophobicContact CD2-CG 4.43Å; Y540-Q599 HydrophobicContact CG-CG 4.41Å; Y540-Q599 CarbonylContact O-C 3.59Å; Y540-Q599 WeakPolarHBondContact O-CA 3.43Å; Y540-Y600 PolarHBondContact O-N 3.42Å
541	F	96.3	Very high	90.9	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	125.9	-172.7	-61.2	-92.3	0	0	0	112.3	F536 C539 V559 Q565 I566 L567 Y600 I602 W626 F627	F536-F541 HydrophobicContact CB-CE2 3.94Å; F536-F541 HydrophobicContact CB-CZ 4.15Å; F536-F541 HydrophobicContact CD1-CE2 4.4Å; F536-F541 AromaticContact CD1-CZ 3.75Å; F536-F541 HydrophobicContact CD1-CZ 3.75Å; F536-F541 HydrophobicContact CD2-CZ 4.33Å; F536-F541 HydrophobicContact CE1-CZ 4.17Å; F536-F541 HydrophobicContact CG-CE2 4.07Å; F536-F541 AromaticContact CG-CZ 3.84Å; F536-F541 HydrophobicContact CG-CZ 3.84Å; C539-F541 HydrophobicContact CB-CE2 3.5Å; C539-F541 HydrophobicContact CB-CZ 3.77Å; F541-V559 HydrophobicContact CB-CG1 4.22Å; F541-V559 HydrophobicContact CB-CG2 3.92Å; F541-V559 HydrophobicContact CD1-CG2 4.24Å; F541-V559 HydrophobicContact CD2-CB 4.36Å; F541-V559 HydrophobicContact CD2-CG1 3.53Å; F541-V559 HydrophobicContact CD2-CG2 3.88Å; F541-V559 HydrophobicContact CE2-CG1 4.24Å; F541-V559 HydrophobicContact CE2-CG2 4.49Å; F541-V559 HydrophobicContact CG-CG1 4.11Å; F541-V559 HydrophobicContact CG-CG2 3.73Å; F541-Q565 PolarHBondContact N-O 2.87Å; F541-I566 HydrophobicContact CB-CD1 4.31Å; F541-I566 WeakPolarHBondContact O-CA 2.99Å; F541-L567 PolarHBondContact O-N 3.3Å; F541-Y600 CarbonylContact C-O 3.55Å; F541-Y600 WeakPolarHBondContact CA-O 3.17Å; F541-Y600 HydrophobicContact CD1-CD2 4.4Å; F541-Y600 HydrophobicContact CD1-CG 4.39Å; F541-Y600 AromaticContact CE1-CD2 3.93Å; F541-Y600 HydrophobicContact CE1-CD2 3.93Å; F541-Y600 HydrophobicContact CE1-CG 4.09Å; F541-Y600 HydrophobicContact CZ-CD2 4.15Å; F541-I602 HydrophobicContact CD1-CD1 4.05Å; F541-I602 HydrophobicContact CD1-CG1 3.98Å; F541-I602 HydrophobicContact CE1-CD1 4.5Å; F541-W626 HydrophobicContact CE1-CZ3 4.36Å; F541-F627 HydrophobicContact CD1-CD2 4.15Å; F541-F627 HydrophobicContact CD1-CE2 4.14Å; F541-F627 AromaticContact CE1-CD2 3.77Å; F541-F627 HydrophobicContact CE1-CD2 3.77Å; F541-F627 AromaticContact CE1-CE2 3.82Å; F541-F627 HydrophobicContact CE1-CE2 3.82Å; F541-F627 HydrophobicContact CZ-CD2 4.49Å; F541-F627 HydrophobicContact CZ-CE2 4.19Å
542	Y	95.9	Very high	91.4	Very high	47 Å²	47	47.6 Å²	47.6	18%	0.184	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	109	170.4	178.4	-105	0	0	0	110.3	W544 L567 R569 K570 P571 Y600 I601 I602	Y542-W544 HydrophobicContact CD1-CB 3.88Å; Y542-W544 HydrophobicContact CE1-CB 3.6Å; Y542-W544 AromaticContact CE1-CD1 3.75Å; Y542-W544 AromaticContact CE1-CG 3.93Å; Y542-W544 HydrophobicContact CE1-CG 3.93Å; Y542-W544 PolarHBondContact O-N 3.36Å; Y542-L567 HydrophobicContact CD2-CB 4.38Å; Y542-L567 WeakPolarHBondContact CD2-O 3.28Å; Y542-R569 VanDerWaalsContact CD2-C 3.45Å; Y542-R569 WeakPolarHBondContact CD2-O 3.44Å; Y542-R569 VanDerWaalsContact CE2-C 3.44Å; Y542-K570 HydrophobicContact CD1-CB 3.95Å; Y542-K570 HydrophobicContact CD1-CG 3.87Å; Y542-K570 HydrophobicContact CE1-CB 3.47Å; Y542-K570 VanDerWaalsContact CE1-CB 3.47Å; Y542-K570 HydrophobicContact CE1-CD 4.04Å; Y542-K570 HydrophobicContact CE1-CG 3.64Å; Y542-K570 HydrophobicContact CE2-CB 4.2Å; Y542-K570 VanDerWaalsContact CE2-N 3.28Å; Y542-K570 HydrophobicContact CG-CB 4.48Å; Y542-P571 VanDerWaalsContact CB-CD 3.48Å; Y542-Y600 PolarHBondContact N-O 2.95Å; Y542-I601 HydrophobicContact CD1-CG1 4.33Å; Y542-I601 HydrophobicContact CD1-CG2 4.29Å; Y542-I601 WeakPolarHBondContact O-CA 3.46Å; Y542-I602 PolarHBondContact O-N 3.49Å
543	L	95.7	Very high	91.8	Very high	7 Å²	7	51.4 Å²	51.4	4%	0.037	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	100.6	179.9	-55.3	-175.3	0	0	0	110.4	F547 K552 L555 I556 I566 I602	L543-F547 HydrophobicContact CB-CE2 3.98Å; L543-F547 HydrophobicContact CB-CZ 4.17Å; L543-K552 HydrophobicContact CB-CG 4.41Å; L543-K552 HydrophobicContact CD1-CG 3.78Å; L543-K552 PolarHBondContact O-NZ 2.86Å; L543-L555 HydrophobicContact CD1-CB 3.77Å; L543-L555 HydrophobicContact CD2-CB 4.2Å; L543-L555 HydrophobicContact CD2-CD1 4.28Å; L543-I556 HydrophobicContact CD1-CD1 4.43Å; L543-I556 HydrophobicContact CD1-CG1 3.66Å; L543-I566 HydrophobicContact CD1-CD1 4.26Å; L543-I566 HydrophobicContact CG-CD1 4.3Å; L543-I602 HydrophobicContact CD2-CB 3.78Å; L543-I602 HydrophobicContact CD2-CG1 3.98Å; L543-I602 HydrophobicContact CD2-CG2 4.26Å
544	W	93.1	Very high	92.2	Very high	82 Å²	82	53.9 Å²	53.9	31%	0.311	28%	0.275	S	S	.	.			trans	-97.7	134.9	-172.2	-176.1	48	0	0	0	112.6	Y542 F547 I601 I602 Y609	Y542-W544 HydrophobicContact CD1-CB 3.88Å; Y542-W544 HydrophobicContact CE1-CB 3.6Å; Y542-W544 AromaticContact CE1-CD1 3.75Å; Y542-W544 AromaticContact CE1-CG 3.93Å; Y542-W544 HydrophobicContact CE1-CG 3.93Å; Y542-W544 PolarHBondContact O-N 3.36Å; W544-F547 WeakPolarHBondContact O-CE2 3.45Å; W544-I601 HydrophobicContact CB-CG2 3.83Å; W544-I601 HydrophobicContact CD2-CG2 4.5Å; W544-I601 HydrophobicContact CE3-CG2 4.29Å; W544-I601 HydrophobicContact CG-CG2 4.34Å; W544-I602 PolarHBondContact N-O 3.12Å; W544-Y609 HydrophobicContact CH2-CD2 4.21Å; W544-Y609 HydrophobicContact CH2-CE1 4.47Å; W544-Y609 AromaticContact CH2-CE2 3.92Å; W544-Y609 HydrophobicContact CH2-CE2 3.92Å; W544-Y609 AromaticContact CZ3-CD1 3.94Å; W544-Y609 HydrophobicContact CZ3-CD1 3.94Å; W544-Y609 HydrophobicContact CZ3-CD2 4.17Å; W544-Y609 AromaticContact CZ3-CE1 3.71Å; W544-Y609 HydrophobicContact CZ3-CE1 3.71Å; W544-Y609 AromaticContact CZ3-CE2 3.96Å; W544-Y609 HydrophobicContact CZ3-CE2 3.96Å; W544-Y609 HydrophobicContact CZ3-CG 4.17Å; W544-Y609 AromaticContact CZ3-CZ 3.73Å
545	G	88.4	Confident	92.3	Very high	51 Å²	51	50 Å²	50	53%	0.526	26%	0.258	S	S	.	.	S	Bend	trans	84	-159.1	177.3	0	0	0	0	0	114.2
546	T	88	Confident	92.3	Very high	116 Å²	116	52.6 Å²	52.6	71%	0.712	27%	0.271	S	S	*	.			trans	-98.1	142.5	175.6	52	0	0	0	0	110.1
547	F	90.8	Very high	92.3	Very high	28 Å²	28	58 Å²	58	12%	0.123	30%	0.295	C	S	.	.			trans	-121.7	127.3	174.9	-61.8	-98.6	0	0	0	109.7	L543 W544 H550 K552 L555 I602 E604	L543-F547 HydrophobicContact CB-CE2 3.98Å; L543-F547 HydrophobicContact CB-CZ 4.17Å; W544-F547 WeakPolarHBondContact O-CE2 3.45Å; F547-H550 VanDerWaalsContact CB-O 3.24Å; F547-H550 WeakPolarHBondContact CB-O 3.44Å; F547-K552 HydrophobicContact CD2-CB 4.35Å; F547-K552 HydrophobicContact CD2-CG 4.43Å; F547-L555 HydrophobicContact CD1-CD1 3.61Å; F547-L555 HydrophobicContact CE1-CD1 3.62Å; F547-L555 HydrophobicContact CG-CD1 4.22Å; F547-L555 HydrophobicContact CZ-CD1 4.23Å; F547-I602 HydrophobicContact CE1-CG2 4.22Å; F547-I602 HydrophobicContact CZ-CG2 4.44Å; F547-E604 WeakPolarHBondContact CA-OE1 3.04Å; F547-E604 HydrophobicContact CD1-CB 3.88Å; F547-E604 HydrophobicContact CE1-CB 4.22Å
548	K	86.1	Confident	92.7	Very high	170 Å²	170	57 Å²	57	74%	0.739	29%	0.289	S	S	*	.	S	Bend	trans	-110.4	-41.4	177.8	-66.7	178.4	177.3	177.8	0	112.3	E604	K548-E604 PolarHBondContact N-OE1 3.15Å; K548-E604 PolarHBondContact N-OE2 3.47Å
549	H	85	Confident	93.2	Very high	112 Å²	112	56.5 Å²	56.5	52%	0.519	28%	0.284	S	S	.	.	S	Bend	trans	-88.7	-34.7	-174.7	-62.6	-88.3	0	0	0	111.4	P551 E604	H549-P551 WeakPolarHBondContact O-CD 3.07Å; H549-E604 IonicContact CD2-OE2 3.57Å; H549-E604 PolarHBondContact N-OE1 2.85Å
550	H	89.2	Confident	93.3	Very high	55 Å²	55	60.7 Å²	60.7	26%	0.255	31%	0.31	S	S	.	.	S	Bend	trans	-119.5	82.7	174.5	-58.2	-76.8	0	0	0	110.5	F547 K552 L555 E604 S624	F547-H550 VanDerWaalsContact CB-O 3.24Å; F547-H550 WeakPolarHBondContact CB-O 3.44Å; H550-K552 PolarHBondContact O-N 2.88Å; H550-L555 HydrophobicContact CB-CD1 4.19Å; H550-L555 HydrophobicContact CB-CD2 4.14Å; H550-L555 HydrophobicContact CB-CG 4.24Å; H550-L555 WeakPolarHBondContact O-CD1 3.22Å; H550-E604 PolarHBondContact N-OE1 3.43Å; H550-S624 PolarHBondContact CD2-OG 3.43Å; H550-S624 VanDerWaalsContact CD2-OG 3.28Å
551	P	93.5	Very high	93.4	Very high	56 Å²	56	59.6 Å²	59.6	36%	0.364	31%	0.309	S	S	.	.			trans	-47	133.3	-173.8	-31.2	35.3	0	0	0	113.5	H549 D553 N554 L555	H549-P551 WeakPolarHBondContact O-CD 3.07Å; P551-D553 PolarHBondContact O-N 3.01Å; P551-D553 VanDerWaalsContact O-N 3.1Å; P551-N554 WeakPolarHBondContact O-CA 3.45Å; P551-N554 VanDerWaalsContact O-CB 3.28Å; P551-N554 WeakPolarHBondContact O-CB 3.25Å; P551-N554 PolarHBondContact O-N 3.46Å; P551-L555 PolarHBondContact O-N 2.93Å
552	K	94.1	Very high	93.3	Very high	92 Å²	92	59.6 Å²	59.6	40%	0.4	31%	0.309	S	S	.	.	H	α-helix	trans	-54.6	-38.5	-169.3	-169.3	174	-176.2	161.6	0	113.4	L543 F547 H550 N554 L555 I556	L543-K552 HydrophobicContact CB-CG 4.41Å; L543-K552 HydrophobicContact CD1-CG 3.78Å; L543-K552 PolarHBondContact O-NZ 2.86Å; F547-K552 HydrophobicContact CD2-CB 4.35Å; F547-K552 HydrophobicContact CD2-CG 4.43Å; H550-K552 PolarHBondContact O-N 2.88Å; K552-N554 VanDerWaalsContact C-N 3.29Å; K552-N554 PolarHBondContact O-N 2.74Å; K552-L555 PolarHBondContact O-N 2.76Å; K552-I556 HydrophobicContact CG-CD1 4.27Å; K552-I556 WeakPolarHBondContact O-CG1 3.41Å; K552-I556 PolarHBondContact O-N 3.02Å
553	D	95.1	Very high	93.1	Very high	107 Å²	107	58.7 Å²	58.7	57%	0.572	31%	0.313	S	S	*	.	H	α-helix	trans	-69.6	-27.6	179.9	-51.5	-42.9	0	0	0	112.6	P551 K557	P551-D553 PolarHBondContact O-N 3.01Å; P551-D553 VanDerWaalsContact O-N 3.1Å; D553-K557 WeakPolarHBondContact O-CB 3.31Å; D553-K557 VanDerWaalsContact O-CG 3.26Å; D553-K557 WeakPolarHBondContact O-CG 3.48Å; D553-K557 PolarHBondContact O-N 3.28Å
554	N	95.8	Very high	93	Very high	52 Å²	52	58.7 Å²	58.7	28%	0.278	32%	0.315	S	S	.	.	H	α-helix	trans	-70.7	-43.2	172.6	-65	-9.3	0	0	0	110.2	L482 P551 K552 I556 K557 L558	L482-N554 HydrophobicContact CD1-CB 4.06Å; L482-N554 HydrophobicContact CD2-CB 4.36Å; L482-N554 WeakPolarHBondContact CD2-OD1 3.36Å; P551-N554 WeakPolarHBondContact O-CA 3.45Å; P551-N554 VanDerWaalsContact O-CB 3.28Å; P551-N554 WeakPolarHBondContact O-CB 3.25Å; P551-N554 PolarHBondContact O-N 3.46Å; K552-N554 VanDerWaalsContact C-N 3.29Å; K552-N554 PolarHBondContact O-N 2.74Å; N554-I556 VanDerWaalsContact C-N 3.35Å; N554-I556 PolarHBondContact O-N 2.86Å; N554-K557 PolarHBondContact O-N 3.43Å; N554-L558 VanDerWaalsContact O-CG 3.29Å; N554-L558 WeakPolarHBondContact O-CG 3.33Å; N554-L558 PolarHBondContact O-N 2.9Å
555	L	96.1	Very high	92.9	Very high	2 Å²	2	59.9 Å²	59.9	1%	0.01	32%	0.324	C	S	.	.	H	α-helix	trans	-62.2	-41.1	174.3	-64.5	176.8	0	0	0	111.6	L543 F547 H550 P551 K552 L558 V559 F627 I628	L543-L555 HydrophobicContact CD1-CB 3.77Å; L543-L555 HydrophobicContact CD2-CB 4.2Å; L543-L555 HydrophobicContact CD2-CD1 4.28Å; F547-L555 HydrophobicContact CD1-CD1 3.61Å; F547-L555 HydrophobicContact CE1-CD1 3.62Å; F547-L555 HydrophobicContact CG-CD1 4.22Å; F547-L555 HydrophobicContact CZ-CD1 4.23Å; H550-L555 HydrophobicContact CB-CD1 4.19Å; H550-L555 HydrophobicContact CB-CD2 4.14Å; H550-L555 HydrophobicContact CB-CG 4.24Å; H550-L555 WeakPolarHBondContact O-CD1 3.22Å; P551-L555 PolarHBondContact O-N 2.93Å; K552-L555 PolarHBondContact O-N 2.76Å; L555-L558 PolarHBondContact O-N 2.95Å; L555-V559 WeakPolarHBondContact O-CG2 3.36Å; L555-V559 PolarHBondContact O-N 3.17Å; L555-F627 HydrophobicContact CD2-CD1 3.69Å; L555-F627 HydrophobicContact CD2-CE1 3.88Å; L555-I628 HydrophobicContact CD2-CD1 4.36Å
556	I	96.6	Very high	93.2	Very high	56 Å²	56	60.7 Å²	60.7	29%	0.287	32%	0.316	S	S	.	.	H	α-helix	trans	-60.1	-48.3	173.6	-68.8	167.7	0	0	0	111.1	L543 K552 N554 L558 V559 T560 I566	L543-I556 HydrophobicContact CD1-CD1 4.43Å; L543-I556 HydrophobicContact CD1-CG1 3.66Å; K552-I556 HydrophobicContact CG-CD1 4.27Å; K552-I556 WeakPolarHBondContact O-CG1 3.41Å; K552-I556 PolarHBondContact O-N 3.02Å; N554-I556 VanDerWaalsContact C-N 3.35Å; N554-I556 PolarHBondContact O-N 2.86Å; I556-L558 VanDerWaalsContact C-N 3.3Å; I556-L558 PolarHBondContact O-N 2.8Å; I556-V559 PolarHBondContact O-N 3.05Å; I556-T560 PolarHBondContact O-N 3.13Å; I556-T560 VanDerWaalsContact O-N 3.07Å; I556-T560 PolarHBondContact O-OG1 3.36Å; I556-I566 HydrophobicContact CG1-CD1 4.12Å; I556-I566 HydrophobicContact CG1-CG1 4.43Å; I556-I566 HydrophobicContact CG2-CG1 4.43Å
557	K	96.6	Very high	93.3	Very high	114 Å²	114	56.9 Å²	56.9	50%	0.496	29%	0.291	S	S	.	.	H	α-helix	trans	-58.2	-41.6	176.8	-75.2	169.4	-177.2	178.5	0	112.1	L482 L486 D553 N554 A561	L482-K557 HydrophobicContact CD2-CD 4.42Å; L486-K557 HydrophobicContact CD2-CB 4.47Å; D553-K557 WeakPolarHBondContact O-CB 3.31Å; D553-K557 VanDerWaalsContact O-CG 3.26Å; D553-K557 WeakPolarHBondContact O-CG 3.48Å; D553-K557 PolarHBondContact O-N 3.28Å; N554-K557 PolarHBondContact O-N 3.43Å; K557-A561 WeakPolarHBondContact O-CB 3.33Å; K557-A561 PolarHBondContact O-N 3.43Å
558	L	97.8	Very high	93.3	Very high	1 Å²	1	61 Å²	61	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-68.7	-45.8	178.7	-69.6	172.8	0	0	0	112.4	L482 M485 L486 L489 N554 L555 I556 T560 A561 G562 F627 I628	L482-L558 HydrophobicContact CD1-CD1 4.26Å; L482-L558 HydrophobicContact CD1-CD2 3.99Å; L482-L558 HydrophobicContact CD1-CG 3.92Å; M485-L558 HydrophobicContact CB-CD1 4.42Å; M485-L558 HydrophobicContact CB-CD2 3.55Å; M485-L558 HydrophobicContact CE-CD1 4.14Å; M485-L558 HydrophobicContact SD-CD1 3.87Å; L486-L558 HydrophobicContact CD2-CD2 3.94Å; L486-L558 HydrophobicContact CG-CD2 4.08Å; L489-L558 HydrophobicContact CD1-CB 4.16Å; L489-L558 HydrophobicContact CD1-CD2 3.8Å; L489-L558 VanDerWaalsContact CD1-O 3.23Å; L489-L558 WeakPolarHBondContact CD1-O 3.47Å; N554-L558 VanDerWaalsContact O-CG 3.29Å; N554-L558 WeakPolarHBondContact O-CG 3.33Å; N554-L558 PolarHBondContact O-N 2.9Å; L555-L558 PolarHBondContact O-N 2.95Å; I556-L558 VanDerWaalsContact C-N 3.3Å; I556-L558 PolarHBondContact O-N 2.8Å; L558-T560 PolarHBondContact O-N 3.06Å; L558-A561 PolarHBondContact O-N 3Å; L558-G562 PolarHBondContact O-N 2.86Å; L558-F627 HydrophobicContact CB-CE1 3.72Å; L558-F627 HydrophobicContact CB-CZ 3.86Å; L558-F627 HydrophobicContact CD1-CE1 4.08Å; L558-I628 HydrophobicContact CD1-CD1 4.04Å
559	V	97.3	Very high	93.4	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.006	33%	0.325	C	S	.	.	H	α-helix	trans	-55.7	-51.4	175.9	167.8	0	0	0	0	110.6	F541 L555 I556 G562 G563 G564 I566 F627	F541-V559 HydrophobicContact CB-CG1 4.22Å; F541-V559 HydrophobicContact CB-CG2 3.92Å; F541-V559 HydrophobicContact CD1-CG2 4.24Å; F541-V559 HydrophobicContact CD2-CB 4.36Å; F541-V559 HydrophobicContact CD2-CG1 3.53Å; F541-V559 HydrophobicContact CD2-CG2 3.88Å; F541-V559 HydrophobicContact CE2-CG1 4.24Å; F541-V559 HydrophobicContact CE2-CG2 4.49Å; F541-V559 HydrophobicContact CG-CG1 4.11Å; F541-V559 HydrophobicContact CG-CG2 3.73Å; L555-V559 WeakPolarHBondContact O-CG2 3.36Å; L555-V559 PolarHBondContact O-N 3.17Å; I556-V559 PolarHBondContact O-N 3.05Å; V559-G562 CarbonylContact O-C 3.43Å; V559-G562 PolarHBondContact O-N 3.13Å; V559-G563 PolarHBondContact O-N 3.14Å; V559-G564 VanDerWaalsContact CG1-C 3.49Å; V559-G564 WeakPolarHBondContact CG1-O 3.38Å; V559-G564 PolarHBondContact O-N 3.32Å; V559-I566 HydrophobicContact CB-CD1 3.84Å; V559-I566 HydrophobicContact CB-CG1 4.28Å; V559-I566 HydrophobicContact CG1-CD1 3.72Å; V559-I566 HydrophobicContact CG1-CG1 3.87Å; V559-I566 HydrophobicContact CG2-CD1 3.96Å; V559-F627 HydrophobicContact CG2-CE2 3.64Å; V559-F627 HydrophobicContact CG2-CZ 3.55Å
560	T	94.6	Very high	93.6	Very high	88 Å²	88	61.5 Å²	61.5	54%	0.54	32%	0.318	S	S	.	.	H	α-helix	trans	-65.3	-42.4	179.8	-55.3	0	0	0	0	112.3	I556 L558 G562 G563	I556-T560 PolarHBondContact O-N 3.13Å; I556-T560 VanDerWaalsContact O-N 3.07Å; I556-T560 PolarHBondContact O-OG1 3.36Å; L558-T560 PolarHBondContact O-N 3.06Å; T560-G562 VanDerWaalsContact C-N 3.29Å; T560-G562 PolarHBondContact O-N 3.33Å; T560-G563 PolarHBondContact O-N 3.11Å; T560-G563 VanDerWaalsContact O-N 3.15Å
561	A	95.3	Very high	93.5	Very high	15 Å²	15	59.2 Å²	59.2	12%	0.124	31%	0.308	C	S	.	.	H	α-helix	trans	-60.3	-40.8	177.1	0	0	0	0	0	111.8	L486 L489 K534 K557 L558 G563	L486-A561 HydrophobicContact CD2-CB 3.55Å; L489-A561 HydrophobicContact CB-CB 4.16Å; L489-A561 HydrophobicContact CD1-CB 4.23Å; K534-A561 WeakPolarHBondContact CD-O 3.44Å; K534-A561 PolarHBondContact NZ-O 2.78Å; K557-A561 WeakPolarHBondContact O-CB 3.33Å; K557-A561 PolarHBondContact O-N 3.43Å; L558-A561 PolarHBondContact O-N 3Å; A561-G563 VanDerWaalsContact C-N 3.29Å; A561-G563 PolarHBondContact O-N 2.9Å
562	G	95.4	Very high	92.9	Very high	0 Å²	0	62.4 Å²	62.4	0%	0	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	2.3	177	0	0	0	0	0	115.7	K534 F536 L558 V559 T560	K534-G562 WeakPolarHBondContact CB-O 3.47Å; F536-G562 WeakPolarHBondContact CA-O 3.47Å; F536-G562 WeakPolarHBondContact CB-O 3.46Å; F536-G562 PolarHBondContact N-O 3.43Å; L558-G562 PolarHBondContact O-N 2.86Å; V559-G562 CarbonylContact O-C 3.43Å; V559-G562 PolarHBondContact O-N 3.13Å; T560-G562 VanDerWaalsContact C-N 3.29Å; T560-G562 PolarHBondContact O-N 3.33Å
563	G	91.1	Very high	91.7	Very high	27 Å²	27	60.7 Å²	60.7	28%	0.278	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	4.3	176.6	0	0	0	0	0	116	F536 V559 T560 A561	F536-G563 CarbonylContact O-C 3.31Å; V559-G563 PolarHBondContact O-N 3.14Å; T560-G563 PolarHBondContact O-N 3.11Å; T560-G563 VanDerWaalsContact O-N 3.15Å; A561-G563 VanDerWaalsContact C-N 3.29Å; A561-G563 PolarHBondContact O-N 2.9Å
564	G	93.1	Very high	90.3	Very high	7 Å²	7	60.1 Å²	60.1	7%	0.072	31%	0.312	C	S	.	.			trans	-81.4	160.9	176.2	0	0	0	0	0	113.1	F536 C539 V559	F536-G564 VanDerWaalsContact O-CA 3.3Å; F536-G564 WeakPolarHBondContact O-CA 3.33Å; F536-G564 PolarHBondContact O-N 2.89Å; C539-G564 WeakPolarHBondContact O-CA 3.4Å; V559-G564 VanDerWaalsContact CG1-C 3.49Å; V559-G564 WeakPolarHBondContact CG1-O 3.38Å; V559-G564 PolarHBondContact O-N 3.32Å
565	Q	91.4	Very high	89	Confident	108 Å²	108	59.7 Å²	59.7	51%	0.505	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	132.3	-177.8	-60.8	-170	3.2	0	0	112.3	C539 Y540 F541	C539-Q565 PolarHBondContact O-N 3.44Å; Y540-Q565 CarbonylContact C-O 3.52Å; Y540-Q565 WeakPolarHBondContact CA-O 3.42Å; Y540-Q565 HydrophobicContact CD1-CB 3.81Å; Y540-Q565 HydrophobicContact CE1-CB 3.87Å; Y540-Q565 HydrophobicContact CE1-CG 4.33Å; Y540-Q565 PolarHBondContact OH-OE1 3.44Å; F541-Q565 PolarHBondContact N-O 2.87Å
566	I	93.9	Very high	87.2	Confident	68 Å²	68	64.1 Å²	64.1	35%	0.349	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	123.4	176.9	-67.9	-72	0	0	0	110.8	F541 L543 I556 V559	F541-I566 HydrophobicContact CB-CD1 4.31Å; F541-I566 WeakPolarHBondContact O-CA 2.99Å; L543-I566 HydrophobicContact CD1-CD1 4.26Å; L543-I566 HydrophobicContact CG-CD1 4.3Å; I556-I566 HydrophobicContact CG1-CD1 4.12Å; I556-I566 HydrophobicContact CG1-CG1 4.43Å; I556-I566 HydrophobicContact CG2-CG1 4.43Å; V559-I566 HydrophobicContact CB-CD1 3.84Å; V559-I566 HydrophobicContact CB-CG1 4.28Å; V559-I566 HydrophobicContact CG1-CD1 3.72Å; V559-I566 HydrophobicContact CG1-CG1 3.87Å; V559-I566 HydrophobicContact CG2-CD1 3.96Å
567	L	91.3	Very high	85.4	Confident	36 Å²	36	66.3 Å²	66.3	19%	0.188	35%	0.352	C	S	.	.			trans	-82.8	126.9	172.1	-65.3	177.3	0	0	0	110.8	Y540 F541 Y542 R569 P571	Y540-L567 HydrophobicContact CD1-CD2 3.78Å; Y540-L567 HydrophobicContact CD1-CG 4.32Å; Y540-L567 HydrophobicContact CG-CD2 4.49Å; F541-L567 PolarHBondContact O-N 3.3Å; Y542-L567 HydrophobicContact CD2-CB 4.38Å; Y542-L567 WeakPolarHBondContact CD2-O 3.28Å; L567-R569 VanDerWaalsContact C-N 3.32Å; L567-R569 PolarHBondContact O-N 3.03Å; L567-P571 HydrophobicContact CD1-CB 4.05Å; L567-P571 HydrophobicContact CD1-CG 3.89Å
568	S	89.2	Confident	83.7	Confident	115 Å²	115	61.5 Å²	61.5	80%	0.804	33%	0.332	S	S	*	.	S	Bend	trans	-78.2	-13.5	176.6	61.4	0	0	0	0	114.1
569	R	88.3	Confident	82	Confident	207 Å²	207	64.8 Å²	64.8	78%	0.781	35%	0.347	S	S	*	.	S	Bend	trans	-133.4	146.8	-178.9	-64.5	-178.4	178.6	-178.4	-0.2	109.8	Y542 L567 P571	Y542-R569 VanDerWaalsContact CD2-C 3.45Å; Y542-R569 WeakPolarHBondContact CD2-O 3.44Å; Y542-R569 VanDerWaalsContact CE2-C 3.44Å; L567-R569 VanDerWaalsContact C-N 3.32Å; L567-R569 PolarHBondContact O-N 3.03Å; R569-P571 WeakPolarHBondContact O-CD 3.26Å
570	K	90	Very high	80.3	Confident	85 Å²	85	69.8 Å²	69.8	37%	0.37	38%	0.378	S	S	.	.			trans	-59.7	121	178.4	-172.8	167.2	-175.6	167.5	0	109.5	Y542 K572 I601	Y542-K570 HydrophobicContact CD1-CB 3.95Å; Y542-K570 HydrophobicContact CD1-CG 3.87Å; Y542-K570 HydrophobicContact CE1-CB 3.47Å; Y542-K570 VanDerWaalsContact CE1-CB 3.47Å; Y542-K570 HydrophobicContact CE1-CD 4.04Å; Y542-K570 HydrophobicContact CE1-CG 3.64Å; Y542-K570 HydrophobicContact CE2-CB 4.2Å; Y542-K570 VanDerWaalsContact CE2-N 3.28Å; Y542-K570 HydrophobicContact CG-CB 4.48Å; K570-K572 PolarHBondContact O-N 2.86Å; K570-I601 HydrophobicContact CG-CD1 4.33Å
571	P	87.3	Confident	79	Confident	6 Å²	6	66.9 Å²	66.9	4%	0.039	36%	0.359	C	S	.	.			trans	-63.3	136.5	173.9	26.4	-33.2	0	0	0	108.9	Y542 L567 R569 T578 I601 V619	Y542-P571 VanDerWaalsContact CB-CD 3.48Å; L567-P571 HydrophobicContact CD1-CB 4.05Å; L567-P571 HydrophobicContact CD1-CG 3.89Å; R569-P571 WeakPolarHBondContact O-CD 3.26Å; P571-T578 HydrophobicContact CB-CG2 3.59Å; P571-I601 HydrophobicContact CG-CD1 4.17Å; P571-I601 HydrophobicContact CG-CG1 3.8Å; P571-V619 HydrophobicContact CB-CG1 4.28Å; P571-V619 HydrophobicContact CB-CG2 4.1Å; P571-V619 HydrophobicContact CG-CG1 3.85Å
572	K	81.6	Confident	77.8	Confident	124 Å²	124	69.4 Å²	69.4	54%	0.539	37%	0.37	S	S	.	.			trans	-113.4	135.6	176.6	-45.6	-177.2	175	-174.3	0	109.9	K570 D574 S575 T578	K570-K572 PolarHBondContact O-N 2.86Å; K572-D574 WeakPolarHBondContact CB-OD1 3.38Å; K572-D574 PolarHBondContact O-N 3.18Å; K572-S575 PolarHBondContact O-N 3.43Å; K572-T578 PolarHBondContact O-OG1 3.05Å
573	P	67.7	Low	76.9	Confident	55 Å²	55	70.6 Å²	70.6	36%	0.357	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-18.3	-175.3	29.2	-36.4	0	0	0	113.9	Q579 Q616	P573-Q579 PolarHBondContact O-NE2 3.04Å; P573-Q616 HydrophobicContact CB-CB 4.25Å; P573-Q616 HydrophobicContact CB-CG 3.64Å; P573-Q616 HydrophobicContact CG-CB 4.42Å; P573-Q616 HydrophobicContact CG-CG 3.69Å
574	D	66.4	Low	76.5	Confident	96 Å²	96	69.3 Å²	69.3	51%	0.513	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-16.7	179.1	63.7	-39.6	0	0	0	114.1	R99 K572	R99-D574 PolarHBondContact NH2-O 2.91Å; K572-D574 WeakPolarHBondContact CB-OD1 3.38Å; K572-D574 PolarHBondContact O-N 3.18Å
575	S	69.1	Low	76.3	Confident	42 Å²	42	69 Å²	69	29%	0.294	36%	0.361	S	S	.	.			trans	-81.6	128.6	-173.3	-178.6	0	0	0	0	112.1	K572 V577 T578 Q579	K572-S575 PolarHBondContact O-N 3.43Å; S575-V577 VanDerWaalsContact C-N 3.26Å; S575-V577 PolarHBondContact O-N 2.98Å; S575-T578 WeakPolarHBondContact CB-OG1 3.47Å; S575-T578 PolarHBondContact O-N 3.26Å; S575-T578 VanDerWaalsContact O-N 3.16Å; S575-T578 PolarHBondContact O-OG1 3.29Å; S575-Q579 PolarHBondContact O-N 2.86Å
576	D	56.4	Low	76.1	Confident	95 Å²	95	66.8 Å²	66.8	51%	0.508	35%	0.349	S	S	.	.	H	α-helix	trans	-51.5	-44.5	-180	-62.4	1.4	0	0	0	112.4	R99 T578 Q579 T580	R99-D576 IonicContact CZ-OD1 3.7Å; R99-D576 IonicContact NH1-OD1 2.73Å; R99-D576 PolarHBondContact NH1-OD1 3.22Å; R99-D576 IonicContact NH2-OD1 3.53Å; D576-T578 VanDerWaalsContact C-N 3.27Å; D576-T578 PolarHBondContact O-N 3.2Å; D576-Q579 PolarHBondContact O-N 3.07Å; D576-Q579 VanDerWaalsContact O-N 3.08Å; D576-T580 WeakPolarHBondContact O-CG2 3.41Å; D576-T580 PolarHBondContact O-N 2.69Å; D576-T580 PolarHBondContact O-OG1 2.9Å
577	V	60.5	Low	76	Confident	102 Å²	102	65.3 Å²	65.3	62%	0.618	34%	0.34	S	S	*	.	H	α-helix	trans	-54.1	-42.3	-177.6	-178	0	0	0	0	112.2	S575 T580 I581	S575-V577 VanDerWaalsContact C-N 3.26Å; S575-V577 PolarHBondContact O-N 2.98Å; V577-T580 VanDerWaalsContact C-OG1 3.3Å; V577-T580 WeakPolarHBondContact CA-OG1 3.38Å; V577-T580 PolarHBondContact O-OG1 3.49Å; V577-I581 PolarHBondContact O-N 2.81Å
578	T	59.5	Low	76	Confident	13 Å²	13	63.9 Å²	63.9	8%	0.08	33%	0.333	C	S	.	.	H	α-helix	trans	-86	-19.3	-177.5	35.4	0	0	0	0	113.2	P571 K572 S575 D576 I581 Q599	P571-T578 HydrophobicContact CB-CG2 3.59Å; K572-T578 PolarHBondContact O-OG1 3.05Å; S575-T578 WeakPolarHBondContact CB-OG1 3.47Å; S575-T578 PolarHBondContact O-N 3.26Å; S575-T578 VanDerWaalsContact O-N 3.16Å; S575-T578 PolarHBondContact O-OG1 3.29Å; D576-T578 VanDerWaalsContact C-N 3.27Å; D576-T578 PolarHBondContact O-N 3.2Å; T578-I581 HydrophobicContact CG2-CD1 4.5Å; T578-Q599 VanDerWaalsContact CB-OE1 3.28Å; T578-Q599 VanDerWaalsContact CG2-OE1 3.25Å; T578-Q599 PolarHBondContact O-NE2 2.94Å
579	Q	63.2	Low	75.9	Confident	71 Å²	71	63.6 Å²	63.6	33%	0.332	32%	0.315	S	S	.	.	H	α-helix	trans	-77.1	-35	166.4	-64.1	-172	-2.9	0	0	111.5	P573 S575 D576 I581 K618	P573-Q579 PolarHBondContact O-NE2 3.04Å; S575-Q579 PolarHBondContact O-N 2.86Å; D576-Q579 PolarHBondContact O-N 3.07Å; D576-Q579 VanDerWaalsContact O-N 3.08Å; Q579-I581 VanDerWaalsContact C-N 3.33Å; Q579-I581 PolarHBondContact O-N 3.05Å; Q579-K618 PolarHBondContact O-NZ 2.73Å
580	T	62.1	Low	75.5	Confident	106 Å²	106	59.4 Å²	59.4	65%	0.65	31%	0.314	S	S	*	.	H	α-helix	trans	-73.8	-14.8	177.3	51.8	0	0	0	0	114.9	D576 V577 N582	D576-T580 WeakPolarHBondContact O-CG2 3.41Å; D576-T580 PolarHBondContact O-N 2.69Å; D576-T580 PolarHBondContact O-OG1 2.9Å; V577-T580 VanDerWaalsContact C-OG1 3.3Å; V577-T580 WeakPolarHBondContact CA-OG1 3.38Å; V577-T580 PolarHBondContact O-OG1 3.49Å; T580-N582 PolarHBondContact O-N 3.13Å
581	I	66.7	Low	75.2	Confident	26 Å²	26	62.2 Å²	62.2	13%	0.133	33%	0.333	C	S	.	.			trans	-62.9	112	166.6	-69.8	170.2	0	0	0	107.5	Y540 V577 T578 Q579 Q599 K618	Y540-I581 HydrophobicContact CD1-CD1 4.47Å; Y540-I581 HydrophobicContact CD2-CG2 3.76Å; Y540-I581 HydrophobicContact CE2-CG2 3.45Å; Y540-I581 VanDerWaalsContact CE2-CG2 3.45Å; Y540-I581 HydrophobicContact CG-CD1 4.5Å; V577-I581 PolarHBondContact O-N 2.81Å; T578-I581 HydrophobicContact CG2-CD1 4.5Å; Q579-I581 VanDerWaalsContact C-N 3.33Å; Q579-I581 PolarHBondContact O-N 3.05Å; I581-Q599 HydrophobicContact CD1-CG 4.29Å; I581-K618 PolarHBondContact O-NZ 3.06Å
582	N	69.9	Low	75.3	Confident	68 Å²	68	62.8 Å²	62.8	36%	0.364	34%	0.338	S	S	.	.			trans	-129	54.4	-175.2	-138.1	32.3	0	0	0	109.5	N358 I389 T580 K618	N358-N582 PolarHBondContact ND2-O 2.9Å; I389-N582 WeakPolarHBondContact CB-ND2 3.3Å; I389-N582 VanDerWaalsContact CD1-ND2 3.28Å; I389-N582 WeakPolarHBondContact CD1-ND2 3.39Å; I389-N582 HydrophobicContact CG2-CB 4.12Å; I389-N582 WeakPolarHBondContact CG2-ND2 3.41Å; I389-N582 VanDerWaalsContact CG2-O 3.29Å; I389-N582 WeakPolarHBondContact CG2-O 3.46Å; T580-N582 PolarHBondContact O-N 3.13Å; N582-K618 PolarHBondContact OD1-NZ 3.08Å
583	T	76.4	Confident	75.7	Confident	25 Å²	25	60.1 Å²	60.1	15%	0.153	33%	0.329	C	S	.	.			trans	-90.4	159.1	170	53.5	0	0	0	0	110.5	N358 G538 Y540 T598	N358-T583 WeakPolarHBondContact ND2-CA 3.24Å; N358-T583 WeakPolarHBondContact OD1-CA 3.43Å; G538-T583 WeakPolarHBondContact O-CB 3.36Å; G538-T583 PolarHBondContact O-OG1 3.32Å; Y540-T583 HydrophobicContact CE2-CG2 3.81Å; T583-T598 WeakPolarHBondContact O-CG2 3.35Å; T583-T598 PolarHBondContact OG1-OG1 2.9Å
584	V	83.3	Confident	76.8	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.313	C	S	.	.			trans	-111.8	144.1	163.3	-59	0	0	0	0	111.4	T354 N358 R595 F596	T354-V584 HydrophobicContact CG2-CG2 3.88Å; N358-V584 HydrophobicContact CB-CG1 4.34Å; N358-V584 HydrophobicContact CB-CG2 3.79Å; N358-V584 VanDerWaalsContact CG-N 3.34Å; N358-V584 PolarHBondContact ND2-N 3.42Å; N358-V584 PolarHBondContact OD1-N 3.4Å; V584-R595 WeakPolarHBondContact CA-O 3.36Å; V584-R595 VanDerWaalsContact CB-O 3.3Å; V584-R595 WeakPolarHBondContact CB-O 3.35Å; V584-F596 HydrophobicContact CG1-CD1 3.62Å; V584-F596 HydrophobicContact CG1-CE1 3.61Å
585	A	88.5	Confident	77.8	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.008	29%	0.293	C	S	.	.			trans	-84	114.3	172.8	0	0	0	0	0	109.8	C539 H587 A588 R595 T598 L636	C539-A585 VanDerWaalsContact SG-CB 3.52Å; A585-H587 VanDerWaalsContact C-N 3.25Å; A585-H587 PolarHBondContact O-N 3.07Å; A585-A588 HydrophobicContact CB-CB 3.91Å; A585-A588 WeakPolarHBondContact O-CB 3.3Å; A585-A588 PolarHBondContact O-N 3.32Å; A585-R595 PolarHBondContact N-O 2.98Å; A585-R595 WeakPolarHBondContact O-CD 3.4Å; A585-R595 PolarHBondContact O-NH1 3.41Å; A585-T598 HydrophobicContact CB-CG2 4.09Å; A585-L636 HydrophobicContact CB-CD2 3.75Å
586	Y	86.8	Confident	78.5	Confident	61 Å²	61	55.8 Å²	55.8	24%	0.239	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-38.7	-176.1	-179	-89.6	0	0	0	112.6	N352 P533 R595	N352-Y586 HydrophobicContact CB-CE2 4.1Å; P533-Y586 HydrophobicContact CB-CD1 4.23Å; P533-Y586 HydrophobicContact CB-CD2 4.35Å; P533-Y586 HydrophobicContact CB-CG 3.88Å; P533-Y586 HydrophobicContact CG-CD1 4.26Å; P533-Y586 HydrophobicContact CG-CD2 3.69Å; P533-Y586 HydrophobicContact CG-CE2 4.18Å; P533-Y586 HydrophobicContact CG-CG 3.74Å; Y586-R595 PolarHBondContact O-NH1 2.7Å
587	H	92.6	Very high	80.1	Confident	38 Å²	38	51.7 Å²	51.7	18%	0.176	27%	0.273	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-1.5	-177.3	-69.4	-91.1	0	0	0	114.8	N527 P533 K534 L535 A585 F634 L636	N527-H587 PolarHBondContact ND2-CE1 3.49Å; N527-H587 VanDerWaalsContact ND2-CE1 3.33Å; P533-H587 PolarHBondContact O-NE2 3Å; K534-H587 PolarHBondContact O-CD2 3.32Å; K534-H587 VanDerWaalsContact O-CD2 3.22Å; K534-H587 PolarHBondContact O-NE2 2.78Å; L535-H587 WeakPolarHBondContact CA-CD2 3.47Å; L535-H587 HydrophobicContact CD1-CB 4.23Å; L535-H587 PolarHBondContact O-CD2 2.84Å; A585-H587 VanDerWaalsContact C-N 3.25Å; A585-H587 PolarHBondContact O-N 3.07Å; H587-F634 AromaticContact CE1-CE1 3.67Å; H587-L636 HydrophobicContact CB-CB 4.1Å
588	A	91.2	Very high	81.6	Confident	5 Å²	5	46.9 Å²	46.9	4%	0.041	24%	0.244	C	C	.	.	S	Bend	trans	-69.4	140.9	168.8	0	0	0	0	0	110.2	A585 Q594 R595 L636	A585-A588 HydrophobicContact CB-CB 3.91Å; A585-A588 WeakPolarHBondContact O-CB 3.3Å; A585-A588 PolarHBondContact O-N 3.32Å; A588-Q594 HydrophobicContact CB-CB 4.04Å; A588-R595 VanDerWaalsContact CB-CA 3.5Å; A588-R595 HydrophobicContact CB-CB 4.01Å; A588-R595 PolarHBondContact O-NH1 3.48Å; A588-L636 HydrophobicContact CB-CD2 3.97Å
589	R	87.1	Confident	83.2	Confident	110 Å²	110	46.2 Å²	46.2	42%	0.415	24%	0.24	S	C	.	.			trans	-58.4	142.6	173.1	-56.7	-179.3	-177.1	165.8	0.5	109.8	D591 S592 E635	R589-D591 VanDerWaalsContact CB-OD1 3.26Å; R589-D591 WeakPolarHBondContact CB-OD1 3.48Å; R589-D591 PolarHBondContact O-N 3.29Å; R589-D591 VanDerWaalsContact O-N 3.08Å; R589-S592 PolarHBondContact O-N 3.49Å; R589-E635 IonicContact CZ-OE1 3.13Å; R589-E635 IonicContact NE-OE1 3.43Å; R589-E635 IonicContact NH2-OE1 3.08Å; R589-E635 PolarHBondContact NH2-OE1 3.41Å
590	P	80.2	Confident	84.7	Confident	119 Å²	119	42.9 Å²	42.9	77%	0.773	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-25	-169.8	-24.6	35	0	0	0	114.9
591	D	82.6	Confident	86.3	Confident	143 Å²	143	38.2 Å²	38.2	77%	0.765	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-8.3	-178.4	57.8	-26.2	0	0	0	114.1	R589	R589-D591 VanDerWaalsContact CB-OD1 3.26Å; R589-D591 WeakPolarHBondContact CB-OD1 3.48Å; R589-D591 PolarHBondContact O-N 3.29Å; R589-D591 VanDerWaalsContact O-N 3.08Å
592	S	89.3	Confident	87.7	Confident	19 Å²	19	37 Å²	37	13%	0.133	19%	0.189	C	C	.	.	S	Bend	trans	-85.3	140.3	-176.6	179.5	0	0	0	0	113.1	R589 Q594 R595	R589-S592 PolarHBondContact O-N 3.49Å; S592-Q594 PolarHBondContact O-N 2.9Å; S592-Q594 WeakPolarHBondContact OG-CB 3.48Å; S592-Q594 PolarHBondContact OG-N 3.4Å; S592-R595 WeakPolarHBondContact O-CB 3.48Å; S592-R595 PolarHBondContact O-N 3.32Å
593	D	89.6	Confident	88.8	Confident	67 Å²	67	34.7 Å²	34.7	36%	0.358	18%	0.175	S	C	.	.	G	3₁₀ helix	trans	-50.3	-31.3	167.8	-98.8	-32.3	0	0	0	112.8	R595 F596 C597 R615 W620	D593-R595 PolarHBondContact O-N 3.34Å; D593-R595 VanDerWaalsContact O-N 3.11Å; D593-F596 PolarHBondContact O-N 3.12Å; D593-F596 VanDerWaalsContact O-N 3.14Å; D593-C597 WeakPolarHBondContact O-CB 3.45Å; D593-C597 PolarHBondContact O-N 3.05Å; D593-C597 PolarHBondContact O-SG 3.24Å; D593-R615 IonicContact OD1-CZ 3.27Å; D593-R615 IonicContact OD1-NH2 2.74Å; D593-R615 IonicContact OD2-CZ 3.11Å; D593-R615 IonicContact OD2-NE 3.42Å; D593-R615 PolarHBondContact OD2-NE 3.27Å; D593-R615 VanDerWaalsContact OD2-NE 3.08Å; D593-R615 IonicContact OD2-NH2 3.66Å; D593-R615 PolarHBondContact OD2-NH2 3.29Å; D593-W620 HydrophobicContact CB-CH2 4.15Å; D593-W620 HydrophobicContact CB-CZ2 3.87Å
594	Q	92	Very high	89.5	Confident	2 Å²	2	34.1 Å²	34.1	1%	0.009	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-59.2	-21.1	177.6	-65.6	-174.5	-23.9	0	0	113.1	A588 S592 F596 W620 L637	A588-Q594 HydrophobicContact CB-CB 4.04Å; S592-Q594 PolarHBondContact O-N 2.9Å; S592-Q594 WeakPolarHBondContact OG-CB 3.48Å; S592-Q594 PolarHBondContact OG-N 3.4Å; Q594-F596 PolarHBondContact O-N 3.16Å; Q594-W620 HydrophobicContact CB-CZ2 4.37Å; Q594-W620 HydrophobicContact CG-CH2 4.19Å; Q594-W620 HydrophobicContact CG-CZ2 3.45Å; Q594-W620 VanDerWaalsContact CG-CZ2 3.45Å; Q594-L637 PolarHBondContact NE2-O 3.36Å; Q594-L637 PolarHBondContact OE1-O 3.26Å
595	R	86.7	Confident	89.3	Confident	27 Å²	27	37.3 Å²	37.3	10%	0.102	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-60.3	-34.6	176.1	-172.3	64	-179.7	-164.1	6.1	112.4	V584 A585 Y586 A588 S592 D593	V584-R595 WeakPolarHBondContact CA-O 3.36Å; V584-R595 VanDerWaalsContact CB-O 3.3Å; V584-R595 WeakPolarHBondContact CB-O 3.35Å; A585-R595 PolarHBondContact N-O 2.98Å; A585-R595 WeakPolarHBondContact O-CD 3.4Å; A585-R595 PolarHBondContact O-NH1 3.41Å; Y586-R595 PolarHBondContact O-NH1 2.7Å; A588-R595 VanDerWaalsContact CB-CA 3.5Å; A588-R595 HydrophobicContact CB-CB 4.01Å; A588-R595 PolarHBondContact O-NH1 3.48Å; S592-R595 WeakPolarHBondContact O-CB 3.48Å; S592-R595 PolarHBondContact O-N 3.32Å; D593-R595 PolarHBondContact O-N 3.34Å; D593-R595 VanDerWaalsContact O-N 3.11Å
596	F	84.3	Confident	88.5	Confident	74 Å²	74	43.2 Å²	43.2	33%	0.325	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.7	-17	-176.6	-53.2	-82.6	0	0	0	113.5	V584 D593 Q594 T598	V584-F596 HydrophobicContact CG1-CD1 3.62Å; V584-F596 HydrophobicContact CG1-CE1 3.61Å; D593-F596 PolarHBondContact O-N 3.12Å; D593-F596 VanDerWaalsContact O-N 3.14Å; Q594-F596 PolarHBondContact O-N 3.16Å; F596-T598 PolarHBondContact O-N 2.99Å
597	C	89.1	Confident	87.6	Confident	9 Å²	9	44 Å²	44	6%	0.061	23%	0.232	C	C	.	.			trans	-93.2	77.5	170.5	-60.1	0	0	0	0	109	D593 K618 W620	D593-C597 WeakPolarHBondContact O-CB 3.45Å; D593-C597 PolarHBondContact O-N 3.05Å; D593-C597 PolarHBondContact O-SG 3.24Å; C597-K618 CarbonylContact C-O 3.56Å; C597-W620 HydrophobicContact CB-CZ2 4.28Å; C597-W620 PolarHBondContact O-NE1 2.95Å
598	T	91.8	Very high	86.7	Confident	0 Å²	0	49 Å²	49	0%	0	26%	0.26	C	S	.	.			trans	-93.7	9.4	-167.5	56.3	0	0	0	0	115.1	G538 C539 Y540 T583 A585 F596 Y600	G538-T598 WeakPolarHBondContact O-CB 3.23Å; C539-T598 WeakPolarHBondContact CA-O 3.5Å; Y540-T598 PolarHBondContact N-O 3.33Å; T583-T598 WeakPolarHBondContact O-CG2 3.35Å; T583-T598 PolarHBondContact OG1-OG1 2.9Å; A585-T598 HydrophobicContact CB-CG2 4.09Å; F596-T598 PolarHBondContact O-N 2.99Å; T598-Y600 WeakPolarHBondContact O-CD2 3.3Å; T598-Y600 WeakPolarHBondContact O-CE2 3.36Å
599	Q	93.3	Very high	86.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	129.3	-175.8	-70.6	160.4	69.1	0	0	111.9	Y540 T578 I581 K618 V619 W620	Y540-Q599 HydrophobicContact CD2-CG 4.43Å; Y540-Q599 HydrophobicContact CG-CG 4.41Å; Y540-Q599 CarbonylContact O-C 3.59Å; Y540-Q599 WeakPolarHBondContact O-CA 3.43Å; T578-Q599 VanDerWaalsContact CB-OE1 3.28Å; T578-Q599 VanDerWaalsContact CG2-OE1 3.25Å; T578-Q599 PolarHBondContact O-NE2 2.94Å; I581-Q599 HydrophobicContact CD1-CG 4.29Å; Q599-K618 PolarHBondContact N-O 3.42Å; Q599-V619 HydrophobicContact CB-CG2 4.15Å; Q599-V619 CarbonylContact O-C 3.43Å; Q599-V619 WeakPolarHBondContact O-CA 3.47Å; Q599-W620 PolarHBondContact O-N 3.29Å
600	Y	95.5	Very high	85.9	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	120.1	-173.8	-58.8	-92.2	0	0	0	111.4	C539 Y540 F541 Y542 T598 W620 W626 L639	C539-Y600 HydrophobicContact CB-CD2 4.47Å; C539-Y600 HydrophobicContact CB-CE2 4.14Å; Y540-Y600 PolarHBondContact O-N 3.42Å; F541-Y600 CarbonylContact C-O 3.55Å; F541-Y600 WeakPolarHBondContact CA-O 3.17Å; F541-Y600 HydrophobicContact CD1-CD2 4.4Å; F541-Y600 HydrophobicContact CD1-CG 4.39Å; F541-Y600 AromaticContact CE1-CD2 3.93Å; F541-Y600 HydrophobicContact CE1-CD2 3.93Å; F541-Y600 HydrophobicContact CE1-CG 4.09Å; F541-Y600 HydrophobicContact CZ-CD2 4.15Å; Y542-Y600 PolarHBondContact N-O 2.95Å; T598-Y600 WeakPolarHBondContact O-CD2 3.3Å; T598-Y600 WeakPolarHBondContact O-CE2 3.36Å; Y600-W620 HydrophobicContact CD1-CB 3.72Å; Y600-W620 AromaticContact CD1-CD1 3.72Å; Y600-W620 AromaticContact CD1-CG 3.89Å; Y600-W620 HydrophobicContact CD1-CG 3.89Å; Y600-W620 HydrophobicContact CE1-CB 4.14Å; Y600-W620 AromaticContact CE1-CD1 3.37Å; Y600-W620 AromaticContact CE1-CG 3.79Å; Y600-W620 HydrophobicContact CE1-CG 3.79Å; Y600-W620 AromaticContact CE1-NE1 3.94Å; Y600-W620 HydrophobicContact CG-CB 4.45Å; Y600-W620 AromaticContact CZ-CD1 3.77Å; Y600-W626 AromaticContact CD1-CH2 3.4Å; Y600-W626 HydrophobicContact CD1-CH2 3.4Å; Y600-W626 VanDerWaalsContact CD1-CH2 3.4Å; Y600-W626 HydrophobicContact CD1-CZ2 4.12Å; Y600-W626 AromaticContact CD1-CZ3 3.84Å; Y600-W626 HydrophobicContact CD1-CZ3 3.84Å; Y600-W626 AromaticContact CE1-CH2 3.37Å; Y600-W626 HydrophobicContact CE1-CH2 3.37Å; Y600-W626 AromaticContact CE1-CZ2 3.73Å; Y600-W626 HydrophobicContact CE1-CZ2 3.73Å; Y600-W626 HydrophobicContact CE1-CZ3 4.26Å; Y600-W626 HydrophobicContact CG-CH2 4.09Å; Y600-W626 HydrophobicContact CG-CZ3 4.35Å; Y600-L639 HydrophobicContact CD1-CD1 4.04Å; Y600-L639 HydrophobicContact CE1-CD1 3.85Å
601	I	95.3	Very high	86.1	Confident	9 Å²	9	49.9 Å²	49.9	5%	0.046	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	106.4	165.2	-65.3	165.9	0	0	0	107.3	Y542 W544 K570 P571 V619 W620 K621 A622	Y542-I601 HydrophobicContact CD1-CG1 4.33Å; Y542-I601 HydrophobicContact CD1-CG2 4.29Å; Y542-I601 WeakPolarHBondContact O-CA 3.46Å; W544-I601 HydrophobicContact CB-CG2 3.83Å; W544-I601 HydrophobicContact CD2-CG2 4.5Å; W544-I601 HydrophobicContact CE3-CG2 4.29Å; W544-I601 HydrophobicContact CG-CG2 4.34Å; K570-I601 HydrophobicContact CG-CD1 4.33Å; P571-I601 HydrophobicContact CG-CD1 4.17Å; P571-I601 HydrophobicContact CG-CG1 3.8Å; I601-V619 HydrophobicContact CD1-CG1 3.6Å; I601-V619 HydrophobicContact CG1-CG1 3.87Å; I601-W620 WeakPolarHBondContact CB-O 3.17Å; I601-W620 PolarHBondContact N-O 2.89Å; I601-K621 HydrophobicContact CB-CG 4.34Å; I601-K621 HydrophobicContact CD1-CG 4.44Å; I601-K621 WeakPolarHBondContact O-CA 3.15Å; I601-A622 PolarHBondContact O-N 3.07Å
602	I	96.3	Very high	86.2	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	133.2	177.3	-50.7	-56.5	0	0	0	109.5	F541 Y542 L543 W544 F547 A622 W626 F627	F541-I602 HydrophobicContact CD1-CD1 4.05Å; F541-I602 HydrophobicContact CD1-CG1 3.98Å; F541-I602 HydrophobicContact CE1-CD1 4.5Å; Y542-I602 PolarHBondContact O-N 3.49Å; L543-I602 HydrophobicContact CD2-CB 3.78Å; L543-I602 HydrophobicContact CD2-CG1 3.98Å; L543-I602 HydrophobicContact CD2-CG2 4.26Å; W544-I602 PolarHBondContact N-O 3.12Å; F547-I602 HydrophobicContact CE1-CG2 4.22Å; F547-I602 HydrophobicContact CZ-CG2 4.44Å; I602-A622 VanDerWaalsContact CA-O 3.3Å; I602-A622 WeakPolarHBondContact CA-O 3.43Å; I602-A622 HydrophobicContact CD1-CB 4.08Å; I602-W626 HydrophobicContact CD1-CE3 4.22Å; I602-W626 HydrophobicContact CD1-CZ3 3.93Å; I602-F627 HydrophobicContact CD1-CB 4.47Å
603	Y	93.4	Very high	86.1	Confident	19 Å²	19	59 Å²	59	8%	0.075	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	162.3	172.9	63.1	-90.3	0	0	0	110.6	Y609 P611 K621 A622 P623 S624	Y603-Y609 HydrophobicContact CD1-CD1 4.14Å; Y603-Y609 HydrophobicContact CD1-CE1 4.31Å; Y603-Y609 AromaticContact CD2-CD1 3.92Å; Y603-Y609 HydrophobicContact CD2-CD1 3.92Å; Y603-Y609 HydrophobicContact CE1-CD1 4.2Å; Y603-Y609 HydrophobicContact CE1-CE1 4.32Å; Y603-Y609 HydrophobicContact CE2-CD1 4Å; Y603-Y609 WeakPolarHBondContact CE2-O 3.48Å; Y603-Y609 AromaticContact CG-CD1 4Å; Y603-Y609 HydrophobicContact CG-CD1 4Å; Y603-P611 HydrophobicContact CE1-CG 4.36Å; Y603-P611 WeakPolarHBondContact OH-CD 3.49Å; Y603-K621 HydrophobicContact CD1-CB 4.46Å; Y603-K621 HydrophobicContact CE1-CB 4.1Å; Y603-A622 VanDerWaalsContact CD1-O 3.22Å; Y603-A622 WeakPolarHBondContact CD1-O 3.48Å; Y603-A622 VanDerWaalsContact CE1-C 3.43Å; Y603-A622 WeakPolarHBondContact CE1-O 3.4Å; Y603-A622 PolarHBondContact N-O 2.87Å; Y603-A622 VanDerWaalsContact N-O 3.11Å; Y603-P623 HydrophobicContact CE2-CB 4.08Å; Y603-P623 CarbonylContact O-C 3.53Å; Y603-P623 WeakPolarHBondContact O-CA 3.42Å; Y603-S624 PolarHBondContact O-N 3.07Å
604	E	91.7	Very high	86.1	Confident	13 Å²	13	58.6 Å²	58.6	6%	0.061	29%	0.286	C	S	.	.			trans	-87.3	129.8	176.8	-172.1	162.1	-100.8	0	0	110.9	F547 K548 H549 H550 L606 C607	F547-E604 WeakPolarHBondContact CA-OE1 3.04Å; F547-E604 HydrophobicContact CD1-CB 3.88Å; F547-E604 HydrophobicContact CE1-CB 4.22Å; K548-E604 PolarHBondContact N-OE1 3.15Å; K548-E604 PolarHBondContact N-OE2 3.47Å; H549-E604 IonicContact CD2-OE2 3.57Å; H549-E604 PolarHBondContact N-OE1 2.85Å; H550-E604 PolarHBondContact N-OE1 3.43Å; E604-L606 VanDerWaalsContact C-N 3.35Å; E604-L606 PolarHBondContact O-N 3.09Å; E604-C607 PolarHBondContact O-SG 2.95Å
605	D	78.9	Confident	86	Confident	68 Å²	68	62.3 Å²	62.3	36%	0.364	30%	0.3	S	S	.	.	G	3₁₀ helix	trans	-53.4	-47.1	-173.6	-89.4	-48.2	0	0	0	114.1	C607 P623 S625	D605-C607 PolarHBondContact O-N 3.17Å; D605-P623 VanDerWaalsContact CG-CB 3.48Å; D605-P623 WeakPolarHBondContact OD1-CB 3.45Å; D605-S625 WeakPolarHBondContact OD2-CB 3.44Å; D605-S625 PolarHBondContact OD2-OG 3.16Å
606	L	70.4	Confident	86.1	Confident	125 Å²	125	65.8 Å²	65.8	65%	0.654	32%	0.317	S	S	*	.	G	3₁₀ helix	trans	-75	18.4	-165.5	-70.1	156.5	0	0	0	114	E604	E604-L606 VanDerWaalsContact C-N 3.35Å; E604-L606 PolarHBondContact O-N 3.09Å
607	C	68.5	Low	86.2	Confident	76 Å²	76	64.1 Å²	64.1	51%	0.514	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-101.4	13	177.1	73.8	0	0	0	0	114.4	E604 D605 Y609	E604-C607 PolarHBondContact O-SG 2.95Å; D605-C607 PolarHBondContact O-N 3.17Å; C607-Y609 PolarHBondContact O-N 3.47Å; C607-Y609 VanDerWaalsContact O-N 3.08Å; C607-Y609 WeakPolarHBondContact SG-CB 3.39Å
608	N	72.6	Confident	86.1	Confident	145 Å²	145	65.9 Å²	65.9	78%	0.775	33%	0.328	S	S	*	.			trans	59.4	8.4	-174.9	-66.6	-15.7	0	0	0	115.1	H610	N608-H610 PolarHBondContact O-N 3.48Å; N608-H610 PolarHBondContact O-ND1 3.01Å; N608-H610 VanDerWaalsContact O-ND1 3.16Å
609	Y	80.9	Confident	86.1	Confident	70 Å²	70	66.3 Å²	66.3	28%	0.275	33%	0.33	S	S	.	.			trans	-77.4	104.5	-179.8	-177.8	-100.6	0	0	0	111.7	W544 Y603 C607 P611 K621	W544-Y609 HydrophobicContact CH2-CD2 4.21Å; W544-Y609 HydrophobicContact CH2-CE1 4.47Å; W544-Y609 AromaticContact CH2-CE2 3.92Å; W544-Y609 HydrophobicContact CH2-CE2 3.92Å; W544-Y609 AromaticContact CZ3-CD1 3.94Å; W544-Y609 HydrophobicContact CZ3-CD1 3.94Å; W544-Y609 HydrophobicContact CZ3-CD2 4.17Å; W544-Y609 AromaticContact CZ3-CE1 3.71Å; W544-Y609 HydrophobicContact CZ3-CE1 3.71Å; W544-Y609 AromaticContact CZ3-CE2 3.96Å; W544-Y609 HydrophobicContact CZ3-CE2 3.96Å; W544-Y609 HydrophobicContact CZ3-CG 4.17Å; W544-Y609 AromaticContact CZ3-CZ 3.73Å; Y603-Y609 HydrophobicContact CD1-CD1 4.14Å; Y603-Y609 HydrophobicContact CD1-CE1 4.31Å; Y603-Y609 AromaticContact CD2-CD1 3.92Å; Y603-Y609 HydrophobicContact CD2-CD1 3.92Å; Y603-Y609 HydrophobicContact CE1-CD1 4.2Å; Y603-Y609 HydrophobicContact CE1-CE1 4.32Å; Y603-Y609 HydrophobicContact CE2-CD1 4Å; Y603-Y609 WeakPolarHBondContact CE2-O 3.48Å; Y603-Y609 AromaticContact CG-CD1 4Å; Y603-Y609 HydrophobicContact CG-CD1 4Å; C607-Y609 PolarHBondContact O-N 3.47Å; C607-Y609 VanDerWaalsContact O-N 3.08Å; C607-Y609 WeakPolarHBondContact SG-CB 3.39Å; Y609-P611 HydrophobicContact CE1-CB 3.89Å; Y609-P611 HydrophobicContact CE1-CG 4.38Å; Y609-K621 HydrophobicContact CE1-CD 4.47Å
610	H	81.4	Confident	86.2	Confident	160 Å²	160	66.3 Å²	66.3	74%	0.741	33%	0.33	S	S	*	.			trans	-104.2	118.6	169.9	-66.2	78.2	0	0	0	109.1	N608 E612	N608-H610 PolarHBondContact O-N 3.48Å; N608-H610 PolarHBondContact O-ND1 3.01Å; N608-H610 VanDerWaalsContact O-ND1 3.16Å; H610-E612 PolarHBondContact O-N 3.46Å
611	P	85.3	Confident	86.1	Confident	22 Å²	22	68.7 Å²	68.7	14%	0.143	34%	0.34	C	S	.	.			trans	-77.6	124.4	178.6	29.5	-32.6	0	0	0	111.4	Y603 Y609 R613 K621	Y603-P611 HydrophobicContact CE1-CG 4.36Å; Y603-P611 WeakPolarHBondContact OH-CD 3.49Å; Y609-P611 HydrophobicContact CE1-CB 3.89Å; Y609-P611 HydrophobicContact CE1-CG 4.38Å; P611-R613 PolarHBondContact O-N 3.39Å; P611-K621 HydrophobicContact CB-CB 4.27Å; P611-K621 HydrophobicContact CB-CD 3.44Å; P611-K621 VanDerWaalsContact CB-CD 3.44Å; P611-K621 HydrophobicContact CG-CB 4.3Å; P611-K621 HydrophobicContact CG-CD 4.33Å
612	E	83.6	Confident	86.1	Confident	189 Å²	189	68.3 Å²	68.3	88%	0.883	34%	0.338	S	S	*	.	S	Bend	trans	-46.4	-33.4	173.6	-174.6	-166.8	171.6	0	0	114	H610	H610-E612 PolarHBondContact O-N 3.46Å
613	R	86.7	Confident	86.1	Confident	163 Å²	163	69.2 Å²	69.2	62%	0.615	34%	0.344	S	S	*	.			trans	-138.7	133.6	167.9	-62.1	-174.3	178.9	-150.4	-4.3	109.9	P611 R615 K621	P611-R613 PolarHBondContact O-N 3.39Å; R613-R615 VanDerWaalsContact C-N 3.29Å; R613-K621 PolarHBondContact O-NZ 2.88Å
614	V	90.3	Very high	86.1	Confident	60 Å²	60	68.4 Å²	68.4	36%	0.364	34%	0.341	S	S	.	.	S	Bend	trans	-65.8	-28.3	173.5	-65.8	0	0	0	0	112.6	W620 K621	V614-W620 HydrophobicContact CG2-CE3 4.44Å; V614-W620 HydrophobicContact CG2-CZ3 4.16Å; V614-W620 CarbonylContact O-C 3.29Å; V614-W620 VanDerWaalsContact O-CA 3.24Å; V614-W620 WeakPolarHBondContact O-CA 3.41Å; V614-K621 PolarHBondContact O-N 2.99Å
615	R	91.1	Very high	86.2	Confident	80 Å²	80	69.4 Å²	69.4	30%	0.302	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	143.4	178.1	-169.4	167.1	68.3	83.5	-3.7	112.2	D593 R613 G617 V619 W620	D593-R615 IonicContact OD1-CZ 3.27Å; D593-R615 IonicContact OD1-NH2 2.74Å; D593-R615 IonicContact OD2-CZ 3.11Å; D593-R615 IonicContact OD2-NE 3.42Å; D593-R615 PolarHBondContact OD2-NE 3.27Å; D593-R615 VanDerWaalsContact OD2-NE 3.08Å; D593-R615 IonicContact OD2-NH2 3.66Å; D593-R615 PolarHBondContact OD2-NH2 3.29Å; R613-R615 VanDerWaalsContact C-N 3.29Å; R615-G617 WeakPolarHBondContact CD-O 3.46Å; R615-G617 VanDerWaalsContact CG-O 3.27Å; R615-G617 WeakPolarHBondContact CG-O 3.32Å; R615-G617 PolarHBondContact NH1-O 3.04Å; R615-V619 WeakPolarHBondContact CA-O 3.23Å; R615-W620 HydrophobicContact CB-CD2 4.23Å; R615-W620 HydrophobicContact CB-CE3 3.7Å; R615-W620 HydrophobicContact CB-CH2 4.34Å; R615-W620 HydrophobicContact CB-CZ3 3.76Å; R615-W620 HydrophobicContact CG-CD2 4.21Å; R615-W620 HydrophobicContact CG-CE3 4.16Å; R615-W620 HydrophobicContact CG-CH2 4.47Å; R615-W620 HydrophobicContact CG-CZ3 4.3Å
616	Q	87.7	Confident	87.1	Confident	99 Å²	99	67 Å²	67	46%	0.463	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	109.7	165.3	-172	64.4	41.4	0	0	109.4	P573 K618 V619	P573-Q616 HydrophobicContact CB-CB 4.25Å; P573-Q616 HydrophobicContact CB-CG 3.64Å; P573-Q616 HydrophobicContact CG-CB 4.42Å; P573-Q616 HydrophobicContact CG-CG 3.69Å; Q616-K618 PolarHBondContact O-N 2.86Å; Q616-V619 PolarHBondContact N-O 3.19Å; Q616-V619 PolarHBondContact O-N 2.98Å
617	G	86.4	Confident	88.3	Confident	39 Å²	39	61.1 Å²	61.1	40%	0.402	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	-132.7	-170.6	0	0	0	0	0	111.2	R615 V619	R615-G617 WeakPolarHBondContact CD-O 3.46Å; R615-G617 VanDerWaalsContact CG-O 3.27Å; R615-G617 WeakPolarHBondContact CG-O 3.32Å; R615-G617 PolarHBondContact NH1-O 3.04Å; G617-V619 PolarHBondContact O-N 2.97Å
618	K	88	Confident	89.7	Confident	47 Å²	47	58.1 Å²	58.1	20%	0.204	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	0.6	174.9	-74.8	-179.1	170.4	173.9	0	114.9	Q579 I581 N582 C597 Q599 Q616	Q579-K618 PolarHBondContact O-NZ 2.73Å; I581-K618 PolarHBondContact O-NZ 3.06Å; N582-K618 PolarHBondContact OD1-NZ 3.08Å; C597-K618 CarbonylContact C-O 3.56Å; Q599-K618 PolarHBondContact N-O 3.42Å; Q616-K618 PolarHBondContact O-N 2.86Å
619	V	92	Very high	90.8	Very high	8 Å²	8	54.9 Å²	54.9	5%	0.048	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	117.7	-169.4	-173	0	0	0	0	111.2	P571 Q599 I601 R615 Q616 G617	P571-V619 HydrophobicContact CB-CG1 4.28Å; P571-V619 HydrophobicContact CB-CG2 4.1Å; P571-V619 HydrophobicContact CG-CG1 3.85Å; Q599-V619 HydrophobicContact CB-CG2 4.15Å; Q599-V619 CarbonylContact O-C 3.43Å; Q599-V619 WeakPolarHBondContact O-CA 3.47Å; I601-V619 HydrophobicContact CD1-CG1 3.6Å; I601-V619 HydrophobicContact CG1-CG1 3.87Å; R615-V619 WeakPolarHBondContact CA-O 3.23Å; Q616-V619 PolarHBondContact N-O 3.19Å; Q616-V619 PolarHBondContact O-N 2.98Å; G617-V619 PolarHBondContact O-N 2.97Å
620	W	94.2	Very high	91.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	160.5	169.2	-58.6	97.5	0	0	0	112.3	D593 Q594 C597 Q599 Y600 I601 V614 R615 L639 D640	D593-W620 HydrophobicContact CB-CH2 4.15Å; D593-W620 HydrophobicContact CB-CZ2 3.87Å; Q594-W620 HydrophobicContact CB-CZ2 4.37Å; Q594-W620 HydrophobicContact CG-CH2 4.19Å; Q594-W620 HydrophobicContact CG-CZ2 3.45Å; Q594-W620 VanDerWaalsContact CG-CZ2 3.45Å; C597-W620 HydrophobicContact CB-CZ2 4.28Å; C597-W620 PolarHBondContact O-NE1 2.95Å; Q599-W620 PolarHBondContact O-N 3.29Å; Y600-W620 HydrophobicContact CD1-CB 3.72Å; Y600-W620 AromaticContact CD1-CD1 3.72Å; Y600-W620 AromaticContact CD1-CG 3.89Å; Y600-W620 HydrophobicContact CD1-CG 3.89Å; Y600-W620 HydrophobicContact CE1-CB 4.14Å; Y600-W620 AromaticContact CE1-CD1 3.37Å; Y600-W620 AromaticContact CE1-CG 3.79Å; Y600-W620 HydrophobicContact CE1-CG 3.79Å; Y600-W620 AromaticContact CE1-NE1 3.94Å; Y600-W620 HydrophobicContact CG-CB 4.45Å; Y600-W620 AromaticContact CZ-CD1 3.77Å; I601-W620 WeakPolarHBondContact CB-O 3.17Å; I601-W620 PolarHBondContact N-O 2.89Å; V614-W620 HydrophobicContact CG2-CE3 4.44Å; V614-W620 HydrophobicContact CG2-CZ3 4.16Å; V614-W620 CarbonylContact O-C 3.29Å; V614-W620 VanDerWaalsContact O-CA 3.24Å; V614-W620 WeakPolarHBondContact O-CA 3.41Å; R615-W620 HydrophobicContact CB-CD2 4.23Å; R615-W620 HydrophobicContact CB-CE3 3.7Å; R615-W620 HydrophobicContact CB-CH2 4.34Å; R615-W620 HydrophobicContact CB-CZ3 3.76Å; R615-W620 HydrophobicContact CG-CD2 4.21Å; R615-W620 HydrophobicContact CG-CE3 4.16Å; R615-W620 HydrophobicContact CG-CH2 4.47Å; R615-W620 HydrophobicContact CG-CZ3 4.3Å; W620-L639 HydrophobicContact CB-CD1 3.91Å; W620-L639 HydrophobicContact CD2-CB 4.43Å; W620-L639 HydrophobicContact CD2-CD1 3.77Å; W620-L639 HydrophobicContact CE3-CB 3.65Å; W620-L639 HydrophobicContact CE3-CD1 3.72Å; W620-L639 HydrophobicContact CE3-CG 4.35Å; W620-L639 HydrophobicContact CG-CD1 3.86Å; W620-L639 HydrophobicContact CH2-CB 4.43Å; W620-L639 HydrophobicContact CZ3-CB 3.65Å; W620-L639 HydrophobicContact CZ3-CD1 4.49Å; W620-D640 HydrophobicContact CH2-CB 4Å; W620-D640 VanDerWaalsContact CH2-CG 3.45Å; W620-D640 WeakPolarHBondContact CH2-OD2 3.5Å; W620-D640 HydrophobicContact CZ3-CB 3.95Å
621	K	94.2	Very high	92.4	Very high	51 Å²	51	43.9 Å²	43.9	22%	0.222	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	120.8	158.5	-55.8	166.4	-165.4	153.2	0	106.5	I601 Y603 Y609 P611 R613 V614	I601-K621 HydrophobicContact CB-CG 4.34Å; I601-K621 HydrophobicContact CD1-CG 4.44Å; I601-K621 WeakPolarHBondContact O-CA 3.15Å; Y603-K621 HydrophobicContact CD1-CB 4.46Å; Y603-K621 HydrophobicContact CE1-CB 4.1Å; Y609-K621 HydrophobicContact CE1-CD 4.47Å; P611-K621 HydrophobicContact CB-CB 4.27Å; P611-K621 HydrophobicContact CB-CD 3.44Å; P611-K621 VanDerWaalsContact CB-CD 3.44Å; P611-K621 HydrophobicContact CG-CB 4.3Å; P611-K621 HydrophobicContact CG-CD 4.33Å; R613-K621 PolarHBondContact O-NZ 2.88Å; V614-K621 PolarHBondContact O-N 2.99Å
622	A	95.3	Very high	93	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146.8	-178.4	0	0	0	0	0	110.3	I601 I602 Y603 W626 L639	I601-A622 PolarHBondContact O-N 3.07Å; I602-A622 VanDerWaalsContact CA-O 3.3Å; I602-A622 WeakPolarHBondContact CA-O 3.43Å; I602-A622 HydrophobicContact CD1-CB 4.08Å; Y603-A622 VanDerWaalsContact CD1-O 3.22Å; Y603-A622 WeakPolarHBondContact CD1-O 3.48Å; Y603-A622 VanDerWaalsContact CE1-C 3.43Å; Y603-A622 WeakPolarHBondContact CE1-O 3.4Å; Y603-A622 PolarHBondContact N-O 2.87Å; Y603-A622 VanDerWaalsContact N-O 3.11Å; A622-W626 HydrophobicContact CB-CD2 3.81Å; A622-W626 HydrophobicContact CB-CE3 3.41Å; A622-W626 VanDerWaalsContact CB-CE3 3.41Å; A622-W626 HydrophobicContact CB-CG 4.33Å; A622-W626 HydrophobicContact CB-CZ3 3.91Å; A622-L639 HydrophobicContact CB-CD1 3.87Å; A622-L639 HydrophobicContact CB-CD2 3.8Å
623	P	94.9	Very high	93.6	Very high	20 Å²	20	37.4 Å²	37.4	13%	0.13	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	164.4	173.8	31.7	-35.2	0	0	0	111.8	Y603 D605 S625 W626 F627	Y603-P623 HydrophobicContact CE2-CB 4.08Å; Y603-P623 CarbonylContact O-C 3.53Å; Y603-P623 WeakPolarHBondContact O-CA 3.42Å; D605-P623 VanDerWaalsContact CG-CB 3.48Å; D605-P623 WeakPolarHBondContact OD1-CB 3.45Å; P623-S625 VanDerWaalsContact C-N 3.28Å; P623-S625 WeakPolarHBondContact CB-OG 3.38Å; P623-S625 WeakPolarHBondContact CG-OG 3.34Å; P623-S625 PolarHBondContact O-N 2.66Å; P623-W626 HydrophobicContact CG-CB 3.87Å; P623-F627 PolarHBondContact O-N 3.18Å
624	S	94.9	Very high	94.2	Very high	1 Å²	1	30.1 Å²	30.1	1%	0.007	16%	0.163	C	C	.	.	H	α-helix	trans	-67	-28.2	175.2	53.6	0	0	0	0	112.9	H550 Y603 F627 I628	H550-S624 PolarHBondContact CD2-OG 3.43Å; H550-S624 VanDerWaalsContact CD2-OG 3.28Å; Y603-S624 PolarHBondContact O-N 3.07Å; S624-F627 PolarHBondContact O-N 3.1Å; S624-I628 VanDerWaalsContact O-CG1 3.22Å; S624-I628 WeakPolarHBondContact O-CG1 3.26Å; S624-I628 PolarHBondContact O-N 3.06Å; S624-I628 VanDerWaalsContact O-N 3.12Å
625	S	94	Very high	94.5	Very high	34 Å²	34	29.4 Å²	29.4	24%	0.238	16%	0.156	C	C	.	.	H	α-helix	trans	-57.1	-60.5	171.9	46.9	0	0	0	0	111	D605 P623 F627 I628 D629	D605-S625 WeakPolarHBondContact OD2-CB 3.44Å; D605-S625 PolarHBondContact OD2-OG 3.16Å; P623-S625 VanDerWaalsContact C-N 3.28Å; P623-S625 WeakPolarHBondContact CB-OG 3.38Å; P623-S625 WeakPolarHBondContact CG-OG 3.34Å; P623-S625 PolarHBondContact O-N 2.66Å; S625-F627 PolarHBondContact O-N 2.97Å; S625-I628 CarbonylContact O-C 3.57Å; S625-I628 WeakPolarHBondContact O-CA 3.35Å; S625-I628 WeakPolarHBondContact O-CB 3.31Å; S625-I628 PolarHBondContact O-N 2.76Å; S625-D629 VanDerWaalsContact C-OD2 3.3Å; S625-D629 VanDerWaalsContact O-CG 3.28Å; S625-D629 PolarHBondContact O-N 2.68Å
626	W	95.9	Very high	94.8	Very high	17 Å²	17	25.7 Å²	25.7	6%	0.064	14%	0.141	C	C	.	.	H	α-helix	trans	-45.5	-43.9	176	168.4	87.9	0	0	0	112.8	F541 Y600 I602 A622 P623 D629 C630 L636 L637 L639	F541-W626 HydrophobicContact CE1-CZ3 4.36Å; Y600-W626 AromaticContact CD1-CH2 3.4Å; Y600-W626 HydrophobicContact CD1-CH2 3.4Å; Y600-W626 VanDerWaalsContact CD1-CH2 3.4Å; Y600-W626 HydrophobicContact CD1-CZ2 4.12Å; Y600-W626 AromaticContact CD1-CZ3 3.84Å; Y600-W626 HydrophobicContact CD1-CZ3 3.84Å; Y600-W626 AromaticContact CE1-CH2 3.37Å; Y600-W626 HydrophobicContact CE1-CH2 3.37Å; Y600-W626 AromaticContact CE1-CZ2 3.73Å; Y600-W626 HydrophobicContact CE1-CZ2 3.73Å; Y600-W626 HydrophobicContact CE1-CZ3 4.26Å; Y600-W626 HydrophobicContact CG-CH2 4.09Å; Y600-W626 HydrophobicContact CG-CZ3 4.35Å; I602-W626 HydrophobicContact CD1-CE3 4.22Å; I602-W626 HydrophobicContact CD1-CZ3 3.93Å; A622-W626 HydrophobicContact CB-CD2 3.81Å; A622-W626 HydrophobicContact CB-CE3 3.41Å; A622-W626 VanDerWaalsContact CB-CE3 3.41Å; A622-W626 HydrophobicContact CB-CG 4.33Å; A622-W626 HydrophobicContact CB-CZ3 3.91Å; P623-W626 HydrophobicContact CG-CB 3.87Å; W626-D629 PolarHBondContact O-N 2.97Å; W626-C630 VanDerWaalsContact CE2-SG 3.5Å; W626-C630 WeakPolarHBondContact O-CB 3.2Å; W626-C630 PolarHBondContact O-N 3.39Å; W626-C630 PolarHBondContact O-SG 3.16Å; W626-L636 HydrophobicContact CH2-CD1 4Å; W626-L636 HydrophobicContact CZ2-CD1 3.87Å; W626-L637 PolarHBondContact NE1-O 3.28Å; W626-L639 HydrophobicContact CB-CD2 4.5Å; W626-L639 VanDerWaalsContact CD1-CD2 3.47Å; W626-L639 HydrophobicContact CD2-CD1 4.5Å; W626-L639 HydrophobicContact CD2-CD2 3.96Å; W626-L639 HydrophobicContact CD2-CG 4.42Å; W626-L639 HydrophobicContact CG-CD2 3.73Å; W626-L639 HydrophobicContact CZ2-CD1 4.02Å; W626-L639 HydrophobicContact CZ2-CG 4.3Å
627	F	97	Very high	95.2	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.009	13%	0.129	C	C	.	.	H	α-helix	trans	-65.6	-42.4	178	176.3	-93	0	0	0	112.4	F536 F541 L555 L558 V559 I602 P623 S624 S625 V631	F536-F627 HydrophobicContact CD2-CE2 4.08Å; F536-F627 HydrophobicContact CD2-CZ 4.47Å; F536-F627 HydrophobicContact CE1-CE2 4.39Å; F536-F627 HydrophobicContact CE2-CD2 4.18Å; F536-F627 AromaticContact CE2-CE2 3.33Å; F536-F627 HydrophobicContact CE2-CE2 3.33Å; F536-F627 AromaticContact CE2-CZ 3.67Å; F536-F627 HydrophobicContact CE2-CZ 3.67Å; F536-F627 AromaticContact CZ-CD2 3.89Å; F536-F627 HydrophobicContact CZ-CD2 3.89Å; F536-F627 AromaticContact CZ-CE2 3.52Å; F536-F627 HydrophobicContact CZ-CE2 3.52Å; F536-F627 HydrophobicContact CZ-CZ 4.17Å; F541-F627 HydrophobicContact CD1-CD2 4.15Å; F541-F627 HydrophobicContact CD1-CE2 4.14Å; F541-F627 AromaticContact CE1-CD2 3.77Å; F541-F627 HydrophobicContact CE1-CD2 3.77Å; F541-F627 AromaticContact CE1-CE2 3.82Å; F541-F627 HydrophobicContact CE1-CE2 3.82Å; F541-F627 HydrophobicContact CZ-CD2 4.49Å; F541-F627 HydrophobicContact CZ-CE2 4.19Å; L555-F627 HydrophobicContact CD2-CD1 3.69Å; L555-F627 HydrophobicContact CD2-CE1 3.88Å; L558-F627 HydrophobicContact CB-CE1 3.72Å; L558-F627 HydrophobicContact CB-CZ 3.86Å; L558-F627 HydrophobicContact CD1-CE1 4.08Å; V559-F627 HydrophobicContact CG2-CE2 3.64Å; V559-F627 HydrophobicContact CG2-CZ 3.55Å; I602-F627 HydrophobicContact CD1-CB 4.47Å; P623-F627 PolarHBondContact O-N 3.18Å; S624-F627 PolarHBondContact O-N 3.1Å; S625-F627 PolarHBondContact O-N 2.97Å; F627-V631 HydrophobicContact CE1-CG2 4.27Å; F627-V631 HydrophobicContact CZ-CG2 4.32Å; F627-V631 WeakPolarHBondContact O-CG2 3.5Å; F627-V631 PolarHBondContact O-N 3.13Å
628	I	96.6	Very high	95.6	Very high	14 Å²	14	22.4 Å²	22.4	7%	0.072	12%	0.12	C	C	.	.	H	α-helix	trans	-66.1	-42	175.4	-64.7	-73.9	0	0	0	110.5	M485 L555 L558 S624 S625 V631 M632	M485-I628 HydrophobicContact CE-CD1 3.83Å; M485-I628 HydrophobicContact SD-CD1 3.46Å; M485-I628 WeakPolarHBondContact SD-CD1 3.36Å; M485-I628 HydrophobicContact SD-CG2 3.89Å; L555-I628 HydrophobicContact CD2-CD1 4.36Å; L558-I628 HydrophobicContact CD1-CD1 4.04Å; S624-I628 VanDerWaalsContact O-CG1 3.22Å; S624-I628 WeakPolarHBondContact O-CG1 3.26Å; S624-I628 PolarHBondContact O-N 3.06Å; S624-I628 VanDerWaalsContact O-N 3.12Å; S625-I628 CarbonylContact O-C 3.57Å; S625-I628 WeakPolarHBondContact O-CA 3.35Å; S625-I628 WeakPolarHBondContact O-CB 3.31Å; S625-I628 PolarHBondContact O-N 2.76Å; I628-V631 PolarHBondContact O-N 3.14Å; I628-V631 VanDerWaalsContact O-N 3.15Å; I628-M632 HydrophobicContact CG2-CG 4.16Å; I628-M632 WeakPolarHBondContact O-CB 3.47Å; I628-M632 VanDerWaalsContact O-CG 3.26Å; I628-M632 WeakPolarHBondContact O-CG 3.49Å; I628-M632 PolarHBondContact O-N 3.06Å
629	D	96.7	Very high	95.7	Very high	76 Å²	76	21.8 Å²	21.8	41%	0.406	12%	0.118	S	C	.	.	H	α-helix	trans	-67.2	-38	-179.6	-61.4	-35.7	0	0	0	111.4	S625 W626 V631 M632 S633 L637	S625-D629 VanDerWaalsContact C-OD2 3.3Å; S625-D629 VanDerWaalsContact O-CG 3.28Å; S625-D629 PolarHBondContact O-N 2.68Å; W626-D629 PolarHBondContact O-N 2.97Å; D629-V631 VanDerWaalsContact C-N 3.34Å; D629-V631 PolarHBondContact O-N 3.37Å; D629-M632 PolarHBondContact O-N 3.27Å; D629-S633 WeakPolarHBondContact O-CB 3.18Å; D629-S633 PolarHBondContact O-N 2.59Å; D629-S633 PolarHBondContact O-OG 3.43Å; D629-L637 HydrophobicContact CB-CD1 3.83Å
630	C	97.8	Very high	94.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-57	-46.7	169.3	-72	0	0	0	0	111.5	L535 F536 W626 F634 E635 L637	L535-C630 WeakPolarHBondContact CD2-O 3.49Å; F536-C630 HydrophobicContact CE1-CB 4.25Å; F536-C630 HydrophobicContact CZ-CB 4.2Å; W626-C630 VanDerWaalsContact CE2-SG 3.5Å; W626-C630 WeakPolarHBondContact O-CB 3.2Å; W626-C630 PolarHBondContact O-N 3.39Å; W626-C630 PolarHBondContact O-SG 3.16Å; C630-F634 VanDerWaalsContact O-CA 3.28Å; C630-F634 WeakPolarHBondContact O-CA 3.31Å; C630-F634 PolarHBondContact O-N 3.17Å; C630-E635 CarbonylContact C-O 3.58Å; C630-E635 WeakPolarHBondContact CA-O 3.4Å; C630-E635 WeakPolarHBondContact CB-O 3.47Å; C630-E635 PolarHBondContact O-N 3.39Å; C630-E635 VanDerWaalsContact O-N 3.09Å; C630-E635 PolarHBondContact SG-O 3.34Å; C630-L637 PolarHBondContact SG-N 3.08Å
631	V	98.1	Very high	93	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-66.2	-45.3	179.1	173.7	0	0	0	0	111.7	M485 I488 L489 L535 F536 F627 I628 D629 S633 F634	M485-V631 HydrophobicContact CB-CG1 3.69Å; M485-V631 HydrophobicContact CG-CG1 3.89Å; M485-V631 HydrophobicContact SD-CG1 4.37Å; I488-V631 WeakPolarHBondContact CG2-O 3.41Å; L489-V631 HydrophobicContact CD1-CG1 3.87Å; L489-V631 HydrophobicContact CD1-CG2 3.98Å; L489-V631 HydrophobicContact CD2-CG1 4.1Å; L489-V631 HydrophobicContact CD2-CG2 4.21Å; L489-V631 HydrophobicContact CG-CG1 3.75Å; L489-V631 HydrophobicContact CG-CG2 4.39Å; L535-V631 HydrophobicContact CD2-CG2 4.45Å; F536-V631 HydrophobicContact CE2-CG2 3.7Å; F536-V631 HydrophobicContact CZ-CG2 3.77Å; F627-V631 HydrophobicContact CE1-CG2 4.27Å; F627-V631 HydrophobicContact CZ-CG2 4.32Å; F627-V631 WeakPolarHBondContact O-CG2 3.5Å; F627-V631 PolarHBondContact O-N 3.13Å; I628-V631 PolarHBondContact O-N 3.14Å; I628-V631 VanDerWaalsContact O-N 3.15Å; D629-V631 VanDerWaalsContact C-N 3.34Å; D629-V631 PolarHBondContact O-N 3.37Å; V631-S633 VanDerWaalsContact C-N 3.32Å; V631-S633 PolarHBondContact O-N 3.24Å; V631-F634 PolarHBondContact O-N 2.8Å
632	M	97.3	Very high	92.9	Very high	38 Å²	38	31.2 Å²	31.2	19%	0.187	18%	0.182	C	C	.	.	H	α-helix	trans	-66.7	-33.8	-179.5	-68.9	-71.7	-70.4	0	0	112.3	V478 M485 I488 I628 D629	V478-M632 HydrophobicContact CB-CE 3.77Å; V478-M632 HydrophobicContact CG1-CE 3.53Å; V478-M632 HydrophobicContact CG1-SD 3.99Å; M485-M632 HydrophobicContact CG-CG 4.29Å; M485-M632 HydrophobicContact CG-SD 3.65Å; M485-M632 HydrophobicContact SD-SD 4.47Å; I488-M632 HydrophobicContact CD1-SD 4.49Å; I628-M632 HydrophobicContact CG2-CG 4.16Å; I628-M632 WeakPolarHBondContact O-CB 3.47Å; I628-M632 VanDerWaalsContact O-CG 3.26Å; I628-M632 WeakPolarHBondContact O-CG 3.49Å; I628-M632 PolarHBondContact O-N 3.06Å; D629-M632 PolarHBondContact O-N 3.27Å
633	S	97.2	Very high	92.8	Very high	37 Å²	37	32.8 Å²	32.8	26%	0.259	19%	0.192	S	C	.	.	H	α-helix	trans	-84.4	-17.8	177	-51.9	0	0	0	0	113.4	G520 R523 D629 V631 E635	G520-S633 VanDerWaalsContact CA-C 3.43Å; G520-S633 WeakPolarHBondContact CA-O 3.29Å; R523-S633 PolarHBondContact NE-O 3.5Å; R523-S633 PolarHBondContact NH2-O 3.28Å; D629-S633 WeakPolarHBondContact O-CB 3.18Å; D629-S633 PolarHBondContact O-N 2.59Å; D629-S633 PolarHBondContact O-OG 3.43Å; V631-S633 VanDerWaalsContact C-N 3.32Å; V631-S633 PolarHBondContact O-N 3.24Å; S633-E635 VanDerWaalsContact C-N 3.32Å
634	F	97.8	Very high	92.7	Very high	10 Å²	10	33.5 Å²	33.5	4%	0.044	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	55.3	-162.4	-160.8	-100.3	0	0	0	112	I488 L489 G520 R523 S524 N527 L535 H587 C630 V631	I488-F634 HydrophobicContact CG2-CB 4.09Å; I488-F634 HydrophobicContact CG2-CD2 3.99Å; I488-F634 HydrophobicContact CG2-CG 4.42Å; L489-F634 HydrophobicContact CD2-CD2 4.46Å; L489-F634 HydrophobicContact CD2-CE2 4.43Å; G520-F634 WeakPolarHBondContact O-CB 3.41Å; R523-F634 HydrophobicContact CB-CB 4.38Å; R523-F634 HydrophobicContact CB-CD1 4.16Å; S524-F634 VanDerWaalsContact CB-CD2 3.42Å; S524-F634 VanDerWaalsContact CB-CG 3.49Å; S524-F634 WeakPolarHBondContact OG-CD2 3.28Å; S524-F634 WeakPolarHBondContact OG-CE2 3.27Å; S524-F634 VanDerWaalsContact OG-CZ 3.26Å; S524-F634 WeakPolarHBondContact OG-CZ 3.44Å; N527-F634 HydrophobicContact CB-CE1 3.71Å; N527-F634 HydrophobicContact CB-CZ 4.17Å; N527-F634 WeakPolarHBondContact OD1-CZ 3.46Å; L535-F634 HydrophobicContact CB-CD2 4.07Å; L535-F634 HydrophobicContact CB-CE2 3.63Å; L535-F634 HydrophobicContact CB-CZ 4.13Å; L535-F634 HydrophobicContact CD1-CD2 4.19Å; L535-F634 HydrophobicContact CD1-CE2 4.37Å; L535-F634 HydrophobicContact CD1-CG 4.28Å; L535-F634 HydrophobicContact CD2-CD2 4.11Å; L535-F634 HydrophobicContact CG-CD2 4.36Å; L535-F634 HydrophobicContact CG-CE2 4.39Å; H587-F634 AromaticContact CE1-CE1 3.67Å; C630-F634 VanDerWaalsContact O-CA 3.28Å; C630-F634 WeakPolarHBondContact O-CA 3.31Å; C630-F634 PolarHBondContact O-N 3.17Å; V631-F634 PolarHBondContact O-N 2.8Å
635	E	97.3	Very high	92.5	Very high	45 Å²	45	35.4 Å²	35.4	21%	0.21	21%	0.207	C	C	.	.	S	Bend	trans	-143.1	142.7	177.2	-167.2	168.1	153.8	0	0	109.4	R523 R589 C630 S633 L637	R523-E635 IonicContact CZ-OE2 2.59Å; R523-E635 IonicContact NH1-OE2 3.65Å; R523-E635 PolarHBondContact NH1-OE2 3.33Å; R523-E635 IonicContact NH2-OE2 2.71Å; R523-E635 PolarHBondContact NH2-OE2 3.23Å; R589-E635 IonicContact CZ-OE1 3.13Å; R589-E635 IonicContact NE-OE1 3.43Å; R589-E635 IonicContact NH2-OE1 3.08Å; R589-E635 PolarHBondContact NH2-OE1 3.41Å; C630-E635 CarbonylContact C-O 3.58Å; C630-E635 WeakPolarHBondContact CA-O 3.4Å; C630-E635 WeakPolarHBondContact CB-O 3.47Å; C630-E635 PolarHBondContact O-N 3.39Å; C630-E635 VanDerWaalsContact O-N 3.09Å; C630-E635 PolarHBondContact SG-O 3.34Å; S633-E635 VanDerWaalsContact C-N 3.32Å; E635-L637 HydrophobicContact CB-CD2 4.01Å; E635-L637 HydrophobicContact CG-CD2 4.08Å; E635-L637 PolarHBondContact O-N 3.43Å
636	L	96.8	Very high	92.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	21%	0.205	C	C	.	.			trans	-84.1	92.9	167.5	-170.9	63.1	0	0	0	107.7	F536 A585 H587 A588 W626	F536-L636 HydrophobicContact CD1-CD1 4.27Å; F536-L636 HydrophobicContact CE1-CD1 4.13Å; A585-L636 HydrophobicContact CB-CD2 3.75Å; H587-L636 HydrophobicContact CB-CB 4.1Å; A588-L636 HydrophobicContact CB-CD2 3.97Å; W626-L636 HydrophobicContact CH2-CD1 4Å; W626-L636 HydrophobicContact CZ2-CD1 3.87Å
637	L	96.8	Very high	92.2	Very high	39 Å²	39	36.7 Å²	36.7	20%	0.204	21%	0.214	C	C	.	.			trans	-68.4	141.5	-174.1	-60.5	172.3	0	0	0	110.6	Q594 W626 D629 C630 E635	Q594-L637 PolarHBondContact NE2-O 3.36Å; Q594-L637 PolarHBondContact OE1-O 3.26Å; W626-L637 PolarHBondContact NE1-O 3.28Å; D629-L637 HydrophobicContact CB-CD1 3.83Å; C630-L637 PolarHBondContact SG-N 3.08Å; E635-L637 HydrophobicContact CB-CD2 4.01Å; E635-L637 HydrophobicContact CG-CD2 4.08Å; E635-L637 PolarHBondContact O-N 3.43Å
638	P	94.8	Very high	91.9	Very high	31 Å²	31	39.2 Å²	39.2	20%	0.201	23%	0.229	C	C	.	.			trans	-61.8	164	176.2	27.5	-35.1	0	0	0	112.4	S641	P638-S641 WeakPolarHBondContact CB-OG 3.49Å; P638-S641 VanDerWaalsContact CG-OG 3.23Å; P638-S641 WeakPolarHBondContact CG-OG 3.43Å
639	L	90.9	Very high	91.5	Very high	33 Å²	33	41.2 Å²	41.2	17%	0.173	24%	0.241	C	C	.	.	S	Bend	trans	-125.5	1.2	178.8	-77	167.6	0	0	0	112.6	Y600 W620 A622 W626	Y600-L639 HydrophobicContact CD1-CD1 4.04Å; Y600-L639 HydrophobicContact CE1-CD1 3.85Å; W620-L639 HydrophobicContact CB-CD1 3.91Å; W620-L639 HydrophobicContact CD2-CB 4.43Å; W620-L639 HydrophobicContact CD2-CD1 3.77Å; W620-L639 HydrophobicContact CE3-CB 3.65Å; W620-L639 HydrophobicContact CE3-CD1 3.72Å; W620-L639 HydrophobicContact CE3-CG 4.35Å; W620-L639 HydrophobicContact CG-CD1 3.86Å; W620-L639 HydrophobicContact CH2-CB 4.43Å; W620-L639 HydrophobicContact CZ3-CB 3.65Å; W620-L639 HydrophobicContact CZ3-CD1 4.49Å; A622-L639 HydrophobicContact CB-CD1 3.87Å; A622-L639 HydrophobicContact CB-CD2 3.8Å; W626-L639 HydrophobicContact CB-CD2 4.5Å; W626-L639 VanDerWaalsContact CD1-CD2 3.47Å; W626-L639 HydrophobicContact CD2-CD1 4.5Å; W626-L639 HydrophobicContact CD2-CD2 3.96Å; W626-L639 HydrophobicContact CD2-CG 4.42Å; W626-L639 HydrophobicContact CG-CD2 3.73Å; W626-L639 HydrophobicContact CZ2-CD1 4.02Å; W626-L639 HydrophobicContact CZ2-CG 4.3Å
640	D	74.8	Confident	91.1	Very high	81 Å²	81	38.3 Å²	38.3	43%	0.433	23%	0.227	S	C	.	.			trans	-145.5	2.8	-158.9	52.8	-40.4	0	0	0	113.7	W620	W620-D640 HydrophobicContact CH2-CB 4Å; W620-D640 VanDerWaalsContact CH2-CG 3.45Å; W620-D640 WeakPolarHBondContact CH2-OD2 3.5Å; W620-D640 HydrophobicContact CZ3-CB 3.95Å
641	S	53.7	Low	90.5	Very high	144 Å²	144	41.7 Å²	41.7	100%	1.007	25%	0.248	S	C	*	.			trans	-128.1	0	177.6	71.8	0	0	0	0	111.8	P638	P638-S641 WeakPolarHBondContact CB-OG 3.49Å; P638-S641 VanDerWaalsContact CG-OG 3.23Å; P638-S641 WeakPolarHBondContact CG-OG 3.43Å

Retrieved 641 of 641 residues in 176.8 ms (Link to these results)

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