A0A061IHC0_CRIGR 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 A0A061IHC0, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Bard1, Length 767 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.6	Very low	36.1	Very low	236 Å²	236	159.4 Å²	159.4	100%	1.163	83%	0.834	S	S	*	*				0	118.4	0	-70	-55.8	-177.4	0	0	109.8
2	P	38.3	Very low	36.6	Very low	121 Å²	121	159.8 Å²	159.8	79%	0.786	84%	0.838	S	S	*	*	P	Polyproline II helix	trans	-77.2	148.5	178.7	31.6	-34.3	0	0	0	112.3
3	R	34.3	Very low	36.6	Very low	241 Å²	241	161.3 Å²	161.3	91%	0.909	83%	0.833	S	S	*	*	P	Polyproline II helix	trans	-68.9	137.1	166.7	-66.4	-179.4	176.9	-174.1	-1.6	109.2	P5	R3-P5 WeakPolarHBondContact O-CD 3.18Å
4	R	36.5	Very low	36.7	Very low	247 Å²	247	158.3 Å²	158.3	93%	0.932	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-73.6	122.6	176.4	-69.3	178.5	175.6	171.9	-2.3	111.1
5	P	37.4	Very low	36.7	Very low	113 Å²	113	154.7 Å²	154.7	73%	0.734	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-78.6	169.3	159.4	34.5	-32.9	0	0	0	110.7	R3	R3-P5 WeakPolarHBondContact O-CD 3.18Å
6	P	33	Very low	36.8	Very low	120 Å²	120	152.6 Å²	152.6	78%	0.779	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-81.2	148.9	-157.4	30.6	-36.4	0	0	0	115.7	V8	P6-V8 PolarHBondContact O-N 2.63Å
7	T	33	Very low	37.1	Very low	142 Å²	142	149 Å²	149	87%	0.871	82%	0.816	S	S	*	*			trans	-73.7	105.5	173.4	45.9	0	0	0	0	112.1
8	V	36.2	Very low	37.1	Very low	128 Å²	128	147.3 Å²	147.3	78%	0.776	81%	0.814	S	S	*	*			trans	-79.4	120.2	167.1	178.4	0	0	0	0	109.4	P6 S10	P6-V8 PolarHBondContact O-N 2.63Å; V8-S10 PolarHBondContact O-N 2.92Å
9	R	34.2	Very low	37.4	Very low	253 Å²	253	144.4 Å²	144.4	96%	0.955	81%	0.811	S	S	*	*			trans	-69	100.1	170.6	-82.6	-174.4	171	-179.6	-2.4	109.9	G11	R9-G11 PolarHBondContact O-N 3.27Å
10	S	38.3	Very low	38	Very low	90 Å²	90	145.9 Å²	145.9	63%	0.629	81%	0.813	S	S	*	*			trans	-83.5	97.9	173.7	-172.4	0	0	0	0	110.6	V8	V8-S10 PolarHBondContact O-N 2.92Å
11	G	41	Very low	38.2	Very low	62 Å²	62	146.8 Å²	146.8	64%	0.639	81%	0.811	S	S	*	*			trans	-90.8	146.1	154.2	0	0	0	0	0	109.5	R9	R9-G11 PolarHBondContact O-N 3.27Å
12	N	42.9	Very low	39.2	Very low	165 Å²	165	141.3 Å²	141.3	88%	0.882	79%	0.793	S	S	*	*			trans	63.7	62.4	178.9	-53.7	-18.6	0	0	0	115.8
13	K	36.4	Very low	39.4	Very low	179 Å²	179	139.9 Å²	139.9	78%	0.778	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-82.5	136.8	135.4	-78.8	-171.6	176.2	-176.8	0	107.9
14	P	38.1	Very low	40.2	Very low	119 Å²	119	137.1 Å²	137.1	77%	0.773	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-64.3	137.5	165.5	28.9	-32.8	0	0	0	108.9
15	S	36.6	Very low	40.9	Very low	104 Å²	104	127.5 Å²	127.5	73%	0.727	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-62.7	147.4	167.6	47.1	0	0	0	0	109.8	A17	S15-A17 PolarHBondContact O-N 2.59Å
16	P	38.5	Very low	42	Very low	122 Å²	122	124.4 Å²	124.4	79%	0.792	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-54.8	138.4	170.3	-22.4	33.4	0	0	0	110.1
17	A	40.6	Very low	43.3	Very low	91 Å²	91	124 Å²	124	75%	0.752	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-65.1	139.9	165.1	0	0	0	0	0	108.5	S15	S15-A17 PolarHBondContact O-N 2.59Å
18	P	38.3	Very low	45.2	Very low	119 Å²	119	125.3 Å²	125.3	77%	0.773	75%	0.748	S	S	*	*	P	Polyproline II helix	trans	-60.3	153.2	170.8	27.9	-34.5	0	0	0	110
19	A	41.5	Very low	46.9	Very low	92 Å²	92	120.5 Å²	120.5	76%	0.76	72%	0.721	S	S	*	*	P	Polyproline II helix	trans	-55.4	144.3	-177.7	0	0	0	0	0	111.9	E21	A19-E21 PolarHBondContact O-N 3.27Å
20	M	51	Low	48.8	Very low	173 Å²	173	115.8 Å²	115.8	85%	0.852	71%	0.71	S	S	*	*			trans	-83.4	98.2	178.6	-66	-160.6	-58.3	0	0	110.5
21	E	42.3	Very low	50.7	Low	166 Å²	166	113.7 Å²	113.7	78%	0.776	70%	0.695	S	S	*	*			trans	-64.5	131.4	161.4	-74	-61	141.1	0	0	110.5	A19	A19-E21 PolarHBondContact O-N 3.27Å
22	P	55.4	Low	52.5	Low	120 Å²	120	115 Å²	115	78%	0.779	68%	0.681	S	S	*	*			trans	-80.5	124.6	171.8	32.3	-31.1	0	0	0	110.1
23	A	41.7	Very low	54.2	Low	92 Å²	92	109.3 Å²	109.3	76%	0.76	66%	0.657	S	S	*	*			trans	-143.8	134	176.2	0	0	0	0	0	112.1	G25	A23-G25 PolarHBondContact O-N 2.96Å
24	D	51.6	Low	56.2	Low	183 Å²	183	102.8 Å²	102.8	98%	0.979	64%	0.637	S	S	*	*			trans	-59.9	98	-172.8	-67.7	-62.7	0	0	0	113.6
25	G	51.3	Low	58.3	Low	44 Å²	44	97.7 Å²	97.7	45%	0.454	60%	0.603	S	S	.	*			trans	-138.3	109.2	177.7	0	0	0	0	0	111.2	A23 A29	A23-G25 PolarHBondContact O-N 2.96Å; G25-A29 WeakPolarHBondContact O-CB 3.12Å
26	G	60.7	Low	60.2	Low	49 Å²	49	94.4 Å²	94.4	51%	0.505	58%	0.582	S	S	.	*			trans	-57.2	176.2	174.4	0	0	0	0	0	113.9	W28 A29 R32	G26-W28 PolarHBondContact O-N 3.17Å; G26-A29 WeakPolarHBondContact O-CB 3.38Å; G26-A29 PolarHBondContact O-N 3.31Å; G26-A29 VanDerWaalsContact O-N 3.12Å; G26-R32 PolarHBondContact O-NH2 3.16Å
27	P	60	Low	62.3	Low	111 Å²	111	95.8 Å²	95.8	72%	0.721	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-44.8	138.4	-166.5	15	-30.5	0	0	0	113.9	R32	P27-R32 PolarHBondContact O-NH1 3.5Å; P27-R32 PolarHBondContact O-NH2 3Å; P27-R32 VanDerWaalsContact O-NH2 3.09Å
28	W	73	Confident	64.2	Low	170 Å²	170	94.4 Å²	94.4	64%	0.644	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	70.9	12.2	-172.3	-48.5	94.5	0	0	0	117.3	G26 H30 S31 R32 L109	G26-W28 PolarHBondContact O-N 3.17Å; W28-H30 VanDerWaalsContact C-N 3.34Å; W28-H30 PolarHBondContact O-N 2.75Å; W28-S31 CarbonylContact O-C 3.6Å; W28-S31 WeakPolarHBondContact O-CB 3.44Å; W28-S31 PolarHBondContact O-N 2.85Å; W28-R32 PolarHBondContact O-N 2.89Å; W28-L109 HydrophobicContact CB-CD2 3.74Å; W28-L109 HydrophobicContact CD2-CD2 4.19Å; W28-L109 HydrophobicContact CE3-CD2 4.37Å; W28-L109 HydrophobicContact CG-CD2 3.93Å
29	A	71.4	Confident	66.3	Low	26 Å²	26	90.9 Å²	90.9	22%	0.215	52%	0.524	C	S	.	.	H	α-helix	trans	-54.6	-44.6	178.3	0	0	0	0	0	113.9	G25 G26 S31 R32 A33	G25-A29 WeakPolarHBondContact O-CB 3.12Å; G26-A29 WeakPolarHBondContact O-CB 3.38Å; G26-A29 PolarHBondContact O-N 3.31Å; G26-A29 VanDerWaalsContact O-N 3.12Å; A29-S31 VanDerWaalsContact C-N 3.3Å; A29-S31 PolarHBondContact O-N 2.87Å; A29-R32 PolarHBondContact O-N 3.29Å; A29-A33 PolarHBondContact O-N 3.12Å
30	H	73.9	Confident	68.2	Low	154 Å²	154	94.5 Å²	94.5	71%	0.713	52%	0.518	S	S	*	.	H	α-helix	trans	-63	-36	176.3	-73.8	45.5	0	0	0	112.4	W28 A33 A34	W28-H30 VanDerWaalsContact C-N 3.34Å; W28-H30 PolarHBondContact O-N 2.75Å; H30-A33 PolarHBondContact O-N 3.3Å; H30-A34 WeakPolarHBondContact O-CB 3.17Å; H30-A34 PolarHBondContact O-N 3.45Å
31	S	77.9	Confident	69.5	Low	47 Å²	47	92.9 Å²	92.9	33%	0.329	51%	0.512	S	S	.	.	H	α-helix	trans	-73.2	-36	176.7	-52.7	0	0	0	0	112.3	W28 A29 A34 L35	W28-S31 CarbonylContact O-C 3.6Å; W28-S31 WeakPolarHBondContact O-CB 3.44Å; W28-S31 PolarHBondContact O-N 2.85Å; A29-S31 VanDerWaalsContact C-N 3.3Å; A29-S31 PolarHBondContact O-N 2.87Å; S31-A34 PolarHBondContact O-N 2.92Å; S31-L35 WeakPolarHBondContact O-CB 3.38Å; S31-L35 PolarHBondContact O-N 3.29Å
32	R	79.5	Confident	71.4	Confident	88 Å²	88	85.2 Å²	85.2	33%	0.332	48%	0.477	S	S	.	.	H	α-helix	trans	-64.4	-42.4	170.1	-72.2	-172.4	-68.3	-85	-5.3	111.4	G26 P27 W28 A29 A34 L35 A36 L109	G26-R32 PolarHBondContact O-NH2 3.16Å; P27-R32 PolarHBondContact O-NH1 3.5Å; P27-R32 PolarHBondContact O-NH2 3Å; P27-R32 VanDerWaalsContact O-NH2 3.09Å; W28-R32 PolarHBondContact O-N 2.89Å; A29-R32 PolarHBondContact O-N 3.29Å; R32-A34 VanDerWaalsContact C-N 3.34Å; R32-A34 PolarHBondContact O-N 3.07Å; R32-L35 WeakPolarHBondContact O-CB 3.39Å; R32-L35 PolarHBondContact O-N 2.89Å; R32-A36 WeakPolarHBondContact O-CB 2.88Å; R32-A36 PolarHBondContact O-N 3.42Å; R32-L109 HydrophobicContact CG-CB 4.46Å
33	A	78.6	Confident	72.7	Confident	46 Å²	46	84.3 Å²	84.3	38%	0.38	46%	0.458	S	S	.	.	H	α-helix	trans	-64.2	-36	174	0	0	0	0	0	112.7	A29 H30 R37	A29-A33 PolarHBondContact O-N 3.12Å; H30-A33 PolarHBondContact O-N 3.3Å; A33-R37 WeakPolarHBondContact O-CG 3.44Å; A33-R37 PolarHBondContact O-N 3.08Å; A33-R37 PolarHBondContact O-NH1 3.17Å
34	A	78.4	Confident	74.6	Confident	43 Å²	43	80.4 Å²	80.4	36%	0.355	43%	0.425	S	S	.	.	H	α-helix	trans	-68.9	-42	172.6	0	0	0	0	0	112.4	H30 S31 R32 R37 L38	H30-A34 WeakPolarHBondContact O-CB 3.17Å; H30-A34 PolarHBondContact O-N 3.45Å; S31-A34 PolarHBondContact O-N 2.92Å; R32-A34 VanDerWaalsContact C-N 3.34Å; R32-A34 PolarHBondContact O-N 3.07Å; A34-R37 PolarHBondContact O-N 3.23Å; A34-L38 PolarHBondContact O-N 3.46Å
35	L	81.8	Confident	76	Confident	11 Å²	11	74.3 Å²	74.3	6%	0.058	40%	0.396	C	S	.	.	H	α-helix	trans	-58.5	-46.8	173.9	-170.8	91.4	0	0	0	110.7	S31 R32 R37 L38 E39 Y102 L105 Q106 L109	S31-L35 WeakPolarHBondContact O-CB 3.38Å; S31-L35 PolarHBondContact O-N 3.29Å; R32-L35 WeakPolarHBondContact O-CB 3.39Å; R32-L35 PolarHBondContact O-N 2.89Å; L35-R37 PolarHBondContact O-N 3.42Å; L35-L38 CarbonylContact O-C 3.58Å; L35-L38 PolarHBondContact O-N 3.4Å; L35-L38 VanDerWaalsContact O-N 3.09Å; L35-E39 PolarHBondContact O-N 3.18Å; L35-Y102 HydrophobicContact CD1-CD2 3.9Å; L35-Y102 HydrophobicContact CD1-CE2 3.7Å; L35-Y102 HydrophobicContact CD2-CE2 4.35Å; L35-Y102 HydrophobicContact CG-CD2 4.32Å; L35-Y102 HydrophobicContact CG-CE2 3.63Å; L35-L105 HydrophobicContact CD1-CB 4.12Å; L35-L105 HydrophobicContact CD1-CD2 3.94Å; L35-L105 HydrophobicContact CD1-CG 4.38Å; L35-Q106 HydrophobicContact CD2-CB 4.09Å; L35-Q106 HydrophobicContact CD2-CG 4.09Å; L35-L109 HydrophobicContact CD2-CD1 4.45Å
36	A	77.9	Confident	77.1	Confident	36 Å²	36	77.8 Å²	77.8	30%	0.298	40%	0.396	S	S	.	.	H	α-helix	trans	-67.5	-18.5	178.1	0	0	0	0	0	114.5	R32 R40	R32-A36 WeakPolarHBondContact O-CB 2.88Å; R32-A36 PolarHBondContact O-N 3.42Å; A36-R40 PolarHBondContact O-NH1 3.05Å
37	R	81.1	Confident	77.9	Confident	151 Å²	151	77 Å²	77	57%	0.57	38%	0.382	S	S	*	.	H	α-helix	trans	-79.5	-43.9	167	-72.2	-172.8	-62.1	-94.5	5.9	111.2	A33 A34 L35 E39 R40 L41	A33-R37 WeakPolarHBondContact O-CG 3.44Å; A33-R37 PolarHBondContact O-N 3.08Å; A33-R37 PolarHBondContact O-NH1 3.17Å; A34-R37 PolarHBondContact O-N 3.23Å; L35-R37 PolarHBondContact O-N 3.42Å; R37-E39 VanDerWaalsContact C-N 3.32Å; R37-E39 PolarHBondContact O-N 2.74Å; R37-R40 PolarHBondContact O-N 3.22Å; R37-L41 PolarHBondContact O-N 3.23Å
38	L	81.2	Confident	78.4	Confident	61 Å²	61	77.1 Å²	77.1	32%	0.319	38%	0.381	S	S	.	.	H	α-helix	trans	-63.2	-37.8	176	-179.9	58.6	0	0	0	112	A34 L35 R40 L41 L42 M98 Y102	A34-L38 PolarHBondContact O-N 3.46Å; L35-L38 CarbonylContact O-C 3.58Å; L35-L38 PolarHBondContact O-N 3.4Å; L35-L38 VanDerWaalsContact O-N 3.09Å; L38-R40 PolarHBondContact O-N 3.25Å; L38-L41 PolarHBondContact O-N 2.97Å; L38-L42 HydrophobicContact CD1-CD1 4.02Å; L38-L42 HydrophobicContact CD1-CG 4.15Å; L38-L42 HydrophobicContact CG-CD1 3.95Å; L38-L42 HydrophobicContact CG-CG 4.45Å; L38-L42 WeakPolarHBondContact O-CG 3.44Å; L38-L42 PolarHBondContact O-N 3.5Å; L38-L42 VanDerWaalsContact O-N 3.1Å; L38-M98 HydrophobicContact CD1-CE 4.48Å; L38-Y102 HydrophobicContact CD2-CD2 4.03Å; L38-Y102 HydrophobicContact CG-CD2 4.04Å
39	E	82.3	Confident	78.6	Confident	45 Å²	45	74.1 Å²	74.1	21%	0.21	38%	0.377	C	S	.	.	H	α-helix	trans	-56.5	-49.7	175.5	-168.4	-156.3	118.1	0	0	111.4	L35 R37 L41 L42 R43 I50 Y102	L35-E39 PolarHBondContact O-N 3.18Å; R37-E39 VanDerWaalsContact C-N 3.32Å; R37-E39 PolarHBondContact O-N 2.74Å; E39-L41 PolarHBondContact O-N 3.23Å; E39-L42 CarbonylContact O-C 3.55Å; E39-L42 PolarHBondContact O-N 3.49Å; E39-R43 PolarHBondContact O-N 2.68Å; E39-R43 IonicContact OE1-CZ 3.86Å; E39-R43 IonicContact OE1-NE 2.59Å; E39-R43 PolarHBondContact OE1-NE 2.7Å; E39-R43 IonicContact OE1-NH2 3.27Å; E39-R43 PolarHBondContact OE1-NH2 2.94Å; E39-I50 HydrophobicContact CG-CD1 3.94Å; E39-I50 HydrophobicContact CG-CG1 4.01Å; E39-Y102 HydrophobicContact CB-CE2 3.78Å; E39-Y102 WeakPolarHBondContact CB-OH 3.3Å; E39-Y102 HydrophobicContact CG-CE2 4.3Å; E39-Y102 WeakPolarHBondContact CG-OH 3.4Å; E39-Y102 PolarHBondContact OE2-OH 3.3Å
40	R	80.4	Confident	79	Confident	169 Å²	169	74.5 Å²	74.5	64%	0.638	38%	0.375	S	S	*	.	H	α-helix	trans	-58.5	-35.2	178.5	-73.6	-177.8	174.4	103.4	-12.6	112.5	A36 R37 L38 L42	A36-R40 PolarHBondContact O-NH1 3.05Å; R37-R40 PolarHBondContact O-N 3.22Å; L38-R40 PolarHBondContact O-N 3.25Å; R40-L42 VanDerWaalsContact C-N 3.33Å
41	L	79.8	Confident	79.3	Confident	138 Å²	138	67.2 Å²	67.2	72%	0.723	34%	0.342	S	S	*	.	H	α-helix	trans	-77.7	-14.4	177	-63.5	173.4	0	0	0	113.7	R37 L38 E39	R37-L41 PolarHBondContact O-N 3.23Å; L38-L41 PolarHBondContact O-N 2.97Å; E39-L41 PolarHBondContact O-N 3.23Å
42	L	81.5	Confident	79.1	Confident	5 Å²	5	71.7 Å²	71.7	3%	0.026	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.3	13.5	177.4	-66.1	177.3	0	0	0	112.9	L38 E39 R40 I50 L51 L95 I99 Y102	L38-L42 HydrophobicContact CD1-CD1 4.02Å; L38-L42 HydrophobicContact CD1-CG 4.15Å; L38-L42 HydrophobicContact CG-CD1 3.95Å; L38-L42 HydrophobicContact CG-CG 4.45Å; L38-L42 WeakPolarHBondContact O-CG 3.44Å; L38-L42 PolarHBondContact O-N 3.5Å; L38-L42 VanDerWaalsContact O-N 3.1Å; E39-L42 CarbonylContact O-C 3.55Å; E39-L42 PolarHBondContact O-N 3.49Å; R40-L42 VanDerWaalsContact C-N 3.33Å; L42-I50 HydrophobicContact CB-CG2 4.33Å; L42-I50 WeakPolarHBondContact O-CA 3.38Å; L42-L51 WeakPolarHBondContact O-CG 3.25Å; L42-L51 PolarHBondContact O-N 3.46Å; L42-L95 HydrophobicContact CD2-CD2 4.34Å; L42-I99 HydrophobicContact CD1-CG1 4.2Å; L42-I99 HydrophobicContact CD2-CG1 4.11Å; L42-Y102 HydrophobicContact CD1-CD2 4.11Å; L42-Y102 HydrophobicContact CD1-CG 4.02Å
43	R	83.5	Confident	78.8	Confident	102 Å²	102	73.3 Å²	73.3	39%	0.385	37%	0.367	S	S	.	.	B	Isolated β-bridge	trans	-80.6	149.6	172.5	-70	176.7	-178.4	-156.5	-3.2	111.2	E39 T48 N49	E39-R43 PolarHBondContact O-N 2.68Å; E39-R43 IonicContact OE1-CZ 3.86Å; E39-R43 IonicContact OE1-NE 2.59Å; E39-R43 PolarHBondContact OE1-NE 2.7Å; E39-R43 IonicContact OE1-NH2 3.27Å; E39-R43 PolarHBondContact OE1-NH2 2.94Å; R43-T48 WeakPolarHBondContact CD-O 3.34Å; R43-N49 WeakPolarHBondContact CA-O 3.2Å
44	C	81.4	Confident	78.9	Confident	10 Å²	10	71.1 Å²	71.1	7%	0.068	35%	0.349	C	S	.	.			trans	-71.7	140.4	176	170.5	0	0	0	0	110.8	R46 C47 N49 L51 C65	C44-R46 PolarHBondContact O-N 3.06Å; C44-R46 PolarHBondContact SG-N 3.19Å; C44-R46 VanDerWaalsContact SG-N 3.4Å; C44-C47 WeakPolarHBondContact CB-O 3.48Å; C44-C47 VanDerWaalsContact CB-SG 3.53Å; C44-N49 PolarHBondContact N-O 3.3Å; C44-L51 HydrophobicContact CB-CD2 3.84Å; C44-L51 HydrophobicContact CB-CG 4.41Å; C44-C65 PolarHBondContact SG-N 3.21Å; C44-C65 VanDerWaalsContact SG-N 3.44Å
45	S	80.6	Confident	78.9	Confident	54 Å²	54	69.5 Å²	69.5	38%	0.378	33%	0.334	S	S	.	.	S	Bend	trans	-69.5	3.3	177.3	-53.1	0	0	0	0	114.5	I63	S45-I63 PolarHBondContact N-O 3.33Å; S45-I63 PolarHBondContact OG-N 3.02Å; S45-I63 PolarHBondContact OG-O 3.39Å
46	R	75.4	Confident	78.7	Confident	118 Å²	118	70.3 Å²	70.3	45%	0.445	34%	0.341	S	S	.	.	S	Bend	trans	-121	-42.6	169.9	-77.9	-176.6	110.4	174.2	6.4	114.4	C44 F64 C68 C72 P78	C44-R46 PolarHBondContact O-N 3.06Å; C44-R46 PolarHBondContact SG-N 3.19Å; C44-R46 VanDerWaalsContact SG-N 3.4Å; R46-F64 HydrophobicContact CB-CD1 4.3Å; R46-F64 HydrophobicContact CG-CD1 3.77Å; R46-F64 HydrophobicContact CG-CE1 3.8Å; R46-C68 HydrophobicContact CB-CB 4.41Å; R46-C68 WeakPolarHBondContact CD-O 3.26Å; R46-C68 PolarHBondContact NH1-O 2.87Å; R46-C72 PolarHBondContact NH1-SG 2.96Å; R46-C72 PolarHBondContact NH2-SG 3Å; R46-P78 HydrophobicContact CG-CG 4Å
47	C	76.1	Confident	78.4	Confident	32 Å²	32	69.1 Å²	69.1	22%	0.216	33%	0.329	C	S	.	.	S	Bend	trans	-111.1	138.7	-179.1	72	0	0	0	0	110.3	C44 N49 C68	C44-C47 WeakPolarHBondContact CB-O 3.48Å; C44-C47 VanDerWaalsContact CB-SG 3.53Å; C47-N49 PolarHBondContact O-N 3.11Å; C47-C68 PolarHBondContact SG-SG 3.33Å
48	T	70.8	Confident	77.6	Confident	113 Å²	113	64 Å²	64	69%	0.693	32%	0.323	S	S	*	.	S	Bend	trans	-65.3	-4.2	-176.4	47.5	0	0	0	0	114.4	R43	R43-T48 WeakPolarHBondContact CD-O 3.34Å
49	N	77.3	Confident	76.9	Confident	107 Å²	107	63.4 Å²	63.4	57%	0.572	33%	0.332	S	S	*	.	S	Bend	trans	-76.3	156.4	177	-67.4	-53.2	0	0	0	112.7	R43 C44 C47	R43-N49 WeakPolarHBondContact CA-O 3.2Å; C44-N49 PolarHBondContact N-O 3.3Å; C47-N49 PolarHBondContact O-N 3.11Å
50	I	79.4	Confident	76.6	Confident	34 Å²	34	62.4 Å²	62.4	17%	0.174	33%	0.33	C	S	.	.	B	Isolated β-bridge	trans	-61.2	138	166.8	-57.8	167.8	0	0	0	109.1	E39 L42 I99 Y102	E39-I50 HydrophobicContact CG-CD1 3.94Å; E39-I50 HydrophobicContact CG-CG1 4.01Å; L42-I50 HydrophobicContact CB-CG2 4.33Å; L42-I50 WeakPolarHBondContact O-CA 3.38Å; I50-I99 HydrophobicContact CG2-CG2 4Å; I50-Y102 HydrophobicContact CD1-CD1 4.27Å; I50-Y102 HydrophobicContact CD1-CE1 3.55Å
51	L	80.4	Confident	76.4	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.01	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-47.9	137.9	177.5	-74.7	160.8	0	0	0	112.7	L42 C44 P54 I63 F64 I99 R103	L42-L51 WeakPolarHBondContact O-CG 3.25Å; L42-L51 PolarHBondContact O-N 3.46Å; C44-L51 HydrophobicContact CB-CD2 3.84Å; C44-L51 HydrophobicContact CB-CG 4.41Å; L51-P54 HydrophobicContact CB-CB 4.29Å; L51-P54 HydrophobicContact CD1-CB 4.23Å; L51-P54 HydrophobicContact CD2-CB 4.28Å; L51-I63 HydrophobicContact CD1-CB 4.39Å; L51-I63 HydrophobicContact CD1-CG2 3.66Å; L51-I63 HydrophobicContact CD2-CG2 3.94Å; L51-I63 HydrophobicContact CG-CG2 4.49Å; L51-F64 WeakPolarHBondContact CD2-O 3.4Å; L51-I99 HydrophobicContact CB-CD1 3.48Å; L51-I99 VanDerWaalsContact CB-CD1 3.48Å; L51-I99 HydrophobicContact CB-CG1 4.49Å; L51-I99 HydrophobicContact CD1-CD1 4.46Å; L51-R103 PolarHBondContact O-NH2 3.01Å
52	K	73.9	Confident	76.4	Confident	140 Å²	140	59.6 Å²	59.6	61%	0.609	32%	0.32	S	S	*	.	S	Bend	trans	-126.8	124.9	168.2	-65.2	-179.6	-178.9	179	0	106.5	C65	K52-C65 PolarHBondContact N-SG 2.66Å; K52-C65 VanDerWaalsContact N-SG 3.38Å; K52-C65 VanDerWaalsContact O-CA 3.28Å; K52-C65 WeakPolarHBondContact O-CA 3.5Å; K52-C65 VanDerWaalsContact O-CB 3.32Å; K52-C65 WeakPolarHBondContact O-CB 3.5Å
53	E	73.3	Confident	76.3	Confident	122 Å²	122	61.5 Å²	61.5	57%	0.57	33%	0.329	S	S	*	.	S	Bend	trans	49	68	-173	-58.8	178	158	0	0	111.5	V55 S66	E53-V55 PolarHBondContact O-N 3.38Å; E53-S66 PolarHBondContact O-N 3.07Å; E53-S66 VanDerWaalsContact O-N 3.09Å; E53-S66 WeakPolarHBondContact OE2-CB 3.39Å; E53-S66 PolarHBondContact OE2-OG 3.26Å
54	P	81.2	Confident	76.3	Confident	1 Å²	1	56.6 Å²	56.6	1%	0.006	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	123.1	-174.1	24.9	-34.9	0	0	0	111.6	L51 I63 F64 N92 L95 D96 I99	L51-P54 HydrophobicContact CB-CB 4.29Å; L51-P54 HydrophobicContact CD1-CB 4.23Å; L51-P54 HydrophobicContact CD2-CB 4.28Å; P54-I63 HydrophobicContact CB-CG2 4.05Å; P54-F64 CarbonylContact C-O 3.51Å; P54-F64 WeakPolarHBondContact CA-O 3.31Å; P54-N92 WeakPolarHBondContact CG-O 3.41Å; P54-N92 PolarHBondContact O-N 2.76Å; P54-L95 HydrophobicContact CB-CB 4.06Å; P54-L95 HydrophobicContact CB-CD1 4.35Å; P54-L95 HydrophobicContact CG-CB 3.67Å; P54-D96 HydrophobicContact CG-CB 4.14Å; P54-I99 HydrophobicContact CB-CD1 4.41Å; P54-I99 HydrophobicContact CG-CD1 3.91Å
55	V	78.1	Confident	76.4	Confident	9 Å²	9	56.5 Å²	56.5	6%	0.055	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.9	175	-177	0	0	0	0	109.4	E53 F64 I69 L89 K90 I91	E53-V55 PolarHBondContact O-N 3.38Å; V55-F64 PolarHBondContact N-O 2.89Å; V55-F64 PolarHBondContact O-N 3.28Å; V55-I69 HydrophobicContact CB-CD1 4.18Å; V55-I69 HydrophobicContact CG1-CD1 4.02Å; V55-L89 HydrophobicContact CG1-CB 4.26Å; V55-L89 HydrophobicContact CG1-CD2 3.76Å; V55-K90 WeakPolarHBondContact CA-O 3.43Å; V55-I91 HydrophobicContact CG2-CG1 4.46Å
56	C	77	Confident	76.3	Confident	28 Å²	28	55.2 Å²	55.2	19%	0.189	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	142.3	170.5	-57.9	0	0	0	0	109.1	K90	C56-K90 PolarHBondContact N-O 3.13Å; C56-K90 PolarHBondContact O-N 2.95Å
57	L	72	Confident	76.5	Confident	11 Å²	11	54.8 Å²	54.8	6%	0.058	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	125.9	171.5	-62.3	176.8	0	0	0	109.1	G59 C60 F64 I69 C77 A84 L89	L57-G59 PolarHBondContact O-N 2.94Å; L57-C60 PolarHBondContact O-N 3.05Å; L57-F64 HydrophobicContact CD1-CE2 4.01Å; L57-F64 HydrophobicContact CG-CE2 4.37Å; L57-I69 HydrophobicContact CD1-CD1 4.21Å; L57-I69 HydrophobicContact CD2-CD1 3.62Å; L57-I69 HydrophobicContact CD2-CG1 4.47Å; L57-I69 HydrophobicContact CG-CD1 3.81Å; L57-C77 HydrophobicContact CD1-CB 3.88Å; L57-A84 HydrophobicContact CB-CB 4.26Å; L57-A84 HydrophobicContact CD1-CB 3.88Å; L57-A84 HydrophobicContact CD2-CB 4.09Å; L57-A84 HydrophobicContact CG-CB 4.29Å; L57-L89 HydrophobicContact CD2-CD2 3.6Å; L57-L89 HydrophobicContact CD2-CG 4.49Å
58	G	63.9	Low	76.5	Confident	42 Å²	42	54.6 Å²	54.6	43%	0.433	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-23.7	-171.8	0	0	0	0	0	117.1	D88	G58-D88 PolarHBondContact N-O 3.2Å
59	G	67	Low	76.7	Confident	49 Å²	49	49.8 Å²	49.8	51%	0.505	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	-4.1	178.6	0	0	0	0	0	116.7	L57	L57-G59 PolarHBondContact O-N 2.94Å
60	C	76.6	Confident	76.2	Confident	25 Å²	25	48 Å²	48	17%	0.169	28%	0.276	C	S	.	.	S	Bend	trans	-151.3	158.9	-176.9	71.6	0	0	0	0	114.1	L57 H62 C77	L57-C60 PolarHBondContact O-N 3.05Å; C60-H62 VanDerWaalsContact C-N 3.27Å; C60-H62 PolarHBondContact O-N 3.28Å; C60-C77 PolarHBondContact SG-SG 2.86Å
61	E	75.3	Confident	75.6	Confident	192 Å²	192	53.1 Å²	53.1	90%	0.897	30%	0.304	S	S	*	.	S	Bend	trans	-78.1	-3.2	-179.3	-57.3	-166.7	148.7	0	0	114.7
62	H	79.6	Confident	74.7	Confident	56 Å²	56	54.1 Å²	54.1	26%	0.259	31%	0.311	S	S	.	.			trans	-71.9	140.7	-178.2	-61	109.2	0	0	0	112.8	C60 F64 V79 C80	C60-H62 VanDerWaalsContact C-N 3.27Å; C60-H62 PolarHBondContact O-N 3.28Å; H62-F64 HydrophobicContact CB-CE1 4.41Å; H62-F64 HydrophobicContact CB-CE2 3.5Å; H62-F64 HydrophobicContact CB-CZ 3.44Å; H62-F64 VanDerWaalsContact CB-CZ 3.44Å; H62-V79 WeakPolarHBondContact NE2-CG1 3.48Å; H62-C80 PolarHBondContact ND1-SG 2.79Å; H62-C80 VanDerWaalsContact ND1-SG 3.35Å
63	I	80.5	Confident	74.2	Confident	44 Å²	44	50 Å²	50	23%	0.226	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	130.5	-173.4	-51.3	158.5	0	0	0	109.4	S45 L51 P54 L95	S45-I63 PolarHBondContact N-O 3.33Å; S45-I63 PolarHBondContact OG-N 3.02Å; S45-I63 PolarHBondContact OG-O 3.39Å; L51-I63 HydrophobicContact CD1-CB 4.39Å; L51-I63 HydrophobicContact CD1-CG2 3.66Å; L51-I63 HydrophobicContact CD2-CG2 3.94Å; L51-I63 HydrophobicContact CG-CG2 4.49Å; P54-I63 HydrophobicContact CB-CG2 4.05Å; I63-L95 HydrophobicContact CD1-CD1 3.75Å; I63-L95 HydrophobicContact CG1-CD1 4.36Å; I63-L95 HydrophobicContact CG2-CD1 3.9Å
64	F	83.1	Confident	73.6	Confident	0 Å²	0	46.3 Å²	46.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	159.8	-173.5	-49.7	-90.1	0	0	0	111.5	R46 L51 P54 V55 L57 H62 I69 P78 V79	R46-F64 HydrophobicContact CB-CD1 4.3Å; R46-F64 HydrophobicContact CG-CD1 3.77Å; R46-F64 HydrophobicContact CG-CE1 3.8Å; L51-F64 WeakPolarHBondContact CD2-O 3.4Å; P54-F64 CarbonylContact C-O 3.51Å; P54-F64 WeakPolarHBondContact CA-O 3.31Å; V55-F64 PolarHBondContact N-O 2.89Å; V55-F64 PolarHBondContact O-N 3.28Å; L57-F64 HydrophobicContact CD1-CE2 4.01Å; L57-F64 HydrophobicContact CG-CE2 4.37Å; H62-F64 HydrophobicContact CB-CE1 4.41Å; H62-F64 HydrophobicContact CB-CE2 3.5Å; H62-F64 HydrophobicContact CB-CZ 3.44Å; H62-F64 VanDerWaalsContact CB-CZ 3.44Å; F64-I69 HydrophobicContact CB-CD1 3.77Å; F64-I69 HydrophobicContact CB-CG1 3.92Å; F64-I69 HydrophobicContact CD2-CD1 3.59Å; F64-I69 HydrophobicContact CD2-CG1 4.1Å; F64-I69 HydrophobicContact CE2-CD1 4.47Å; F64-I69 HydrophobicContact CG-CD1 3.95Å; F64-I69 HydrophobicContact CG-CG1 4.08Å; F64-P78 HydrophobicContact CE1-CG 3.97Å; F64-P78 HydrophobicContact CZ-CG 4.2Å; F64-V79 HydrophobicContact CE1-CG2 3.75Å; F64-V79 HydrophobicContact CZ-CG2 3.9Å
65	C	83.8	Confident	72.9	Confident	8 Å²	8	50.7 Å²	50.7	5%	0.054	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	148.5	163.4	-54.8	0	0	0	0	109.6	C44 K52 V67 C68 I69	C44-C65 PolarHBondContact SG-N 3.21Å; C44-C65 VanDerWaalsContact SG-N 3.44Å; K52-C65 PolarHBondContact N-SG 2.66Å; K52-C65 VanDerWaalsContact N-SG 3.38Å; K52-C65 VanDerWaalsContact O-CA 3.28Å; K52-C65 WeakPolarHBondContact O-CA 3.5Å; K52-C65 VanDerWaalsContact O-CB 3.32Å; K52-C65 WeakPolarHBondContact O-CB 3.5Å; C65-V67 VanDerWaalsContact C-N 3.34Å; C65-V67 PolarHBondContact O-N 2.97Å; C65-C68 HydrophobicContact CB-CB 4.11Å; C65-C68 PolarHBondContact O-N 2.62Å; C65-I69 PolarHBondContact O-N 3.26Å
66	S	78.4	Confident	72.6	Confident	26 Å²	26	50.6 Å²	50.6	18%	0.182	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-44.6	-56.9	172.2	56.7	0	0	0	0	112.4	E53 C68 I69 S70	E53-S66 PolarHBondContact O-N 3.07Å; E53-S66 VanDerWaalsContact O-N 3.09Å; E53-S66 WeakPolarHBondContact OE2-CB 3.39Å; E53-S66 PolarHBondContact OE2-OG 3.26Å; S66-C68 PolarHBondContact O-N 3.47Å; S66-I69 PolarHBondContact O-N 2.69Å; S66-S70 PolarHBondContact O-N 3.22Å; S66-S70 PolarHBondContact O-OG 3.05Å
67	V	78.4	Confident	72.6	Confident	109 Å²	109	49.3 Å²	49.3	66%	0.661	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-60	-28.3	179.2	-174	0	0	0	0	113.2	C65 I69	C65-V67 VanDerWaalsContact C-N 3.34Å; C65-V67 PolarHBondContact O-N 2.97Å; V67-I69 PolarHBondContact O-N 3.48Å
68	C	77.2	Confident	72.5	Confident	29 Å²	29	50.4 Å²	50.4	20%	0.196	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-82.4	-2.4	179	-64.2	0	0	0	0	113.5	R46 C47 C65 S66	R46-C68 HydrophobicContact CB-CB 4.41Å; R46-C68 WeakPolarHBondContact CD-O 3.26Å; R46-C68 PolarHBondContact NH1-O 2.87Å; C47-C68 PolarHBondContact SG-SG 3.33Å; C65-C68 HydrophobicContact CB-CB 4.11Å; C65-C68 PolarHBondContact O-N 2.62Å; S66-C68 PolarHBondContact O-N 3.47Å
69	I	74	Confident	73.1	Confident	11 Å²	11	51.4 Å²	51.4	6%	0.056	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-27.4	-178.7	-111.6	175.9	0	0	0	112.2	V55 L57 F64 C65 S66 V67 D71 C72 V73 L89	V55-I69 HydrophobicContact CB-CD1 4.18Å; V55-I69 HydrophobicContact CG1-CD1 4.02Å; L57-I69 HydrophobicContact CD1-CD1 4.21Å; L57-I69 HydrophobicContact CD2-CD1 3.62Å; L57-I69 HydrophobicContact CD2-CG1 4.47Å; L57-I69 HydrophobicContact CG-CD1 3.81Å; F64-I69 HydrophobicContact CB-CD1 3.77Å; F64-I69 HydrophobicContact CB-CG1 3.92Å; F64-I69 HydrophobicContact CD2-CD1 3.59Å; F64-I69 HydrophobicContact CD2-CG1 4.1Å; F64-I69 HydrophobicContact CE2-CD1 4.47Å; F64-I69 HydrophobicContact CG-CD1 3.95Å; F64-I69 HydrophobicContact CG-CG1 4.08Å; C65-I69 PolarHBondContact O-N 3.26Å; S66-I69 PolarHBondContact O-N 2.69Å; V67-I69 PolarHBondContact O-N 3.48Å; I69-D71 VanDerWaalsContact C-N 3.28Å; I69-D71 PolarHBondContact O-N 2.95Å; I69-D71 VanDerWaalsContact O-N 3.11Å; I69-C72 PolarHBondContact O-N 2.78Å; I69-V73 HydrophobicContact CG2-CG2 3.94Å; I69-V73 WeakPolarHBondContact O-CG2 3.32Å; I69-V73 PolarHBondContact O-N 2.98Å; I69-L89 HydrophobicContact CD1-CD2 4.19Å; I69-L89 HydrophobicContact CG2-CD2 3.54Å
70	S	67.9	Low	73.6	Confident	71 Å²	71	51.4 Å²	51.4	50%	0.497	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-44.6	-47.4	-173.5	-56	0	0	0	0	114.1	S66 C72	S66-S70 PolarHBondContact O-N 3.22Å; S66-S70 PolarHBondContact O-OG 3.05Å; S70-C72 VanDerWaalsContact C-N 3.25Å; S70-C72 PolarHBondContact O-N 2.68Å
71	D	65.5	Low	73.4	Confident	141 Å²	141	59.6 Å²	59.6	75%	0.754	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-83	3.8	-174.3	-40.4	-45.1	0	0	0	113.7	I69	I69-D71 VanDerWaalsContact C-N 3.28Å; I69-D71 PolarHBondContact O-N 2.95Å; I69-D71 VanDerWaalsContact O-N 3.11Å
72	C	62	Low	73.4	Confident	23 Å²	23	52.7 Å²	52.7	16%	0.155	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-129.8	12	179.5	-61.5	0	0	0	0	113.3	R46 I69 S70 G74 S75	R46-C72 PolarHBondContact NH1-SG 2.96Å; R46-C72 PolarHBondContact NH2-SG 3Å; I69-C72 PolarHBondContact O-N 2.78Å; S70-C72 VanDerWaalsContact C-N 3.25Å; S70-C72 PolarHBondContact O-N 2.68Å; C72-G74 PolarHBondContact O-N 2.64Å; C72-S75 WeakPolarHBondContact CA-OG 3.06Å; C72-S75 PolarHBondContact O-N 3.46Å; C72-S75 PolarHBondContact O-OG 2.9Å
73	V	63.2	Low	72.9	Confident	53 Å²	53	54.4 Å²	54.4	32%	0.321	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	121.8	173	-173.2	0	0	0	0	109.2	I69 I86 L89	I69-V73 HydrophobicContact CG2-CG2 3.94Å; I69-V73 WeakPolarHBondContact O-CG2 3.32Å; I69-V73 PolarHBondContact O-N 2.98Å; V73-I86 HydrophobicContact CG1-CB 4.11Å; V73-I86 HydrophobicContact CG1-CG1 3.47Å; V73-I86 VanDerWaalsContact CG1-CG1 3.47Å; V73-L89 HydrophobicContact CG1-CD1 3.84Å; V73-L89 HydrophobicContact CG2-CD1 3.99Å; V73-L89 HydrophobicContact CG2-CD2 4.46Å
74	G	61.6	Low	72.1	Confident	44 Å²	44	52.5 Å²	52.5	45%	0.454	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.8	-11	-178.5	0	0	0	0	0	115.5	C72 A84	C72-G74 PolarHBondContact O-N 2.64Å; G74-A84 WeakPolarHBondContact CA-O 3.36Å; G74-A84 PolarHBondContact N-O 3.34Å
75	S	65.9	Low	71.3	Confident	94 Å²	94	60.7 Å²	60.7	66%	0.657	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-22.5	173.4	58.1	0	0	0	0	113.8	C72	C72-S75 WeakPolarHBondContact CA-OG 3.06Å; C72-S75 PolarHBondContact O-N 3.46Å; C72-S75 PolarHBondContact O-OG 2.9Å
76	G	70.8	Confident	69.9	Low	6 Å²	6	66.4 Å²	66.4	6%	0.062	38%	0.378	C	S	.	.			trans	124.9	177.5	172.5	0	0	0	0	0	114.2	P78 T82	G76-P78 WeakPolarHBondContact O-CD 3.47Å; G76-T82 CarbonylContact C-O 3.53Å; G76-T82 WeakPolarHBondContact CA-O 3.36Å
77	C	77.6	Confident	69	Low	1 Å²	1	73 Å²	73	1%	0.007	41%	0.411	C	S	.	.			trans	-68.9	119.7	178.7	-180	0	0	0	0	111	L57 C60 V79 C80 Y81 T82	L57-C77 HydrophobicContact CD1-CB 3.88Å; C60-C77 PolarHBondContact SG-SG 2.86Å; C77-V79 PolarHBondContact O-N 3.02Å; C77-C80 PolarHBondContact O-N 3.16Å; C77-Y81 VanDerWaalsContact O-CA 3.24Å; C77-Y81 WeakPolarHBondContact O-CA 3.47Å; C77-Y81 PolarHBondContact O-N 3.46Å; C77-T82 PolarHBondContact N-O 2.74Å
78	P	71.3	Confident	68.2	Low	34 Å²	34	70 Å²	70	22%	0.221	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	16.8	-173.6	30.9	-35.8	0	0	0	114.7	R46 F64 G76	R46-P78 HydrophobicContact CG-CG 4Å; F64-P78 HydrophobicContact CE1-CG 3.97Å; F64-P78 HydrophobicContact CZ-CG 4.2Å; G76-P78 WeakPolarHBondContact O-CD 3.47Å
79	V	75.8	Confident	67.8	Low	63 Å²	63	71.2 Å²	71.2	38%	0.382	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-37.6	178.7	-175.9	0	0	0	0	111.8	H62 F64 C77	H62-V79 WeakPolarHBondContact NE2-CG1 3.48Å; F64-V79 HydrophobicContact CE1-CG2 3.75Å; F64-V79 HydrophobicContact CZ-CG2 3.9Å; C77-V79 PolarHBondContact O-N 3.02Å
80	C	77.4	Confident	67.8	Low	49 Å²	49	76.8 Å²	76.8	33%	0.331	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	8.7	-179.2	61.2	0	0	0	0	114.4	H62 C77 T82	H62-C80 PolarHBondContact ND1-SG 2.79Å; H62-C80 VanDerWaalsContact ND1-SG 3.35Å; C77-C80 PolarHBondContact O-N 3.16Å; C80-T82 PolarHBondContact O-N 2.92Å; C80-T82 PolarHBondContact SG-OG1 2.96Å
81	Y	72.8	Confident	68.3	Low	198 Å²	198	79.2 Å²	79.2	78%	0.776	43%	0.425	S	S	*	.			trans	56.2	9.1	175.2	-56.2	-82.9	0	0	0	116.5	C77	C77-Y81 VanDerWaalsContact O-CA 3.24Å; C77-Y81 WeakPolarHBondContact O-CA 3.47Å; C77-Y81 PolarHBondContact O-N 3.46Å
82	T	75.1	Confident	68.8	Low	46 Å²	46	74.8 Å²	74.8	28%	0.282	40%	0.401	S	S	.	.			trans	-56.7	129.3	171.7	-44.5	0	0	0	0	109.9	G76 C77 C80 A84	G76-T82 CarbonylContact C-O 3.53Å; G76-T82 WeakPolarHBondContact CA-O 3.36Å; C77-T82 PolarHBondContact N-O 2.74Å; C80-T82 PolarHBondContact O-N 2.92Å; C80-T82 PolarHBondContact SG-OG1 2.96Å; T82-A84 PolarHBondContact O-N 2.72Å
83	P	68.4	Low	69.6	Low	92 Å²	92	83 Å²	83	60%	0.597	43%	0.429	S	S	*	.			trans	-59.4	140.3	178.4	24.9	-34.3	0	0	0	110.7
84	A	63.8	Low	70.1	Confident	5 Å²	5	87.7 Å²	87.7	4%	0.041	45%	0.447	C	S	.	.			trans	-147.9	113.1	-173.6	0	0	0	0	0	110.4	L57 G74 T82	L57-A84 HydrophobicContact CB-CB 4.26Å; L57-A84 HydrophobicContact CD1-CB 3.88Å; L57-A84 HydrophobicContact CD2-CB 4.09Å; L57-A84 HydrophobicContact CG-CB 4.29Å; G74-A84 WeakPolarHBondContact CA-O 3.36Å; G74-A84 PolarHBondContact N-O 3.34Å; T82-A84 PolarHBondContact O-N 2.72Å
85	W	66.9	Low	70.9	Confident	171 Å²	171	86.9 Å²	86.9	65%	0.648	43%	0.432	S	S	*	.			trans	-94	169.1	-175	-56.3	87.8	0	0	0	111.2	L87 D88	W85-L87 PolarHBondContact O-N 3.45Å; W85-L87 VanDerWaalsContact O-N 3.12Å; W85-D88 PolarHBondContact N-OD2 3.38Å; W85-D88 WeakPolarHBondContact O-CB 3.29Å; W85-D88 PolarHBondContact O-N 2.86Å
86	I	54.9	Low	71.5	Confident	129 Å²	129	84.5 Å²	84.5	66%	0.662	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-53.5	-34.8	175.8	-58.4	164	0	0	0	111.3	V73 D88 L89	V73-I86 HydrophobicContact CG1-CB 4.11Å; V73-I86 HydrophobicContact CG1-CG1 3.47Å; V73-I86 VanDerWaalsContact CG1-CG1 3.47Å; I86-D88 VanDerWaalsContact C-N 3.31Å; I86-D88 PolarHBondContact O-N 3.03Å; I86-L89 WeakPolarHBondContact O-CD1 3.25Å
87	L	58.1	Low	71.9	Confident	165 Å²	165	88.7 Å²	88.7	86%	0.864	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-74.6	-15.7	-179.2	-60.7	174.3	0	0	0	114.1	W85	W85-L87 PolarHBondContact O-N 3.45Å; W85-L87 VanDerWaalsContact O-N 3.12Å
88	D	62.6	Low	72	Confident	44 Å²	44	92.9 Å²	92.9	24%	0.235	45%	0.454	C	S	.	.	G	3₁₀ helix	trans	-85.7	-8.2	-179.9	-66.6	-53.4	0	0	0	113.4	G58 W85 I86 K90	G58-D88 PolarHBondContact N-O 3.2Å; W85-D88 PolarHBondContact N-OD2 3.38Å; W85-D88 WeakPolarHBondContact O-CB 3.29Å; W85-D88 PolarHBondContact O-N 2.86Å; I86-D88 VanDerWaalsContact C-N 3.31Å; I86-D88 PolarHBondContact O-N 3.03Å; D88-K90 PolarHBondContact O-N 3.21Å
89	L	68.9	Low	72.6	Confident	56 Å²	56	91.3 Å²	91.3	29%	0.293	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	103	-177.7	-68.4	168.3	0	0	0	111.7	V55 L57 I69 V73 I86	V55-L89 HydrophobicContact CG1-CB 4.26Å; V55-L89 HydrophobicContact CG1-CD2 3.76Å; L57-L89 HydrophobicContact CD2-CD2 3.6Å; L57-L89 HydrophobicContact CD2-CG 4.49Å; I69-L89 HydrophobicContact CD1-CD2 4.19Å; I69-L89 HydrophobicContact CG2-CD2 3.54Å; V73-L89 HydrophobicContact CG1-CD1 3.84Å; V73-L89 HydrophobicContact CG2-CD1 3.99Å; V73-L89 HydrophobicContact CG2-CD2 4.46Å; I86-L89 WeakPolarHBondContact O-CD1 3.25Å
90	K	72.9	Confident	72.8	Confident	128 Å²	128	92.1 Å²	92.1	56%	0.557	44%	0.443	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.7	110.9	-179.6	-68.8	171.5	-174.5	168.4	0	111.3	V55 C56 D88 N92	V55-K90 WeakPolarHBondContact CA-O 3.43Å; C56-K90 PolarHBondContact N-O 3.13Å; C56-K90 PolarHBondContact O-N 2.95Å; D88-K90 PolarHBondContact O-N 3.21Å; K90-N92 PolarHBondContact O-N 3.16Å
91	I	77.9	Confident	73.1	Confident	121 Å²	121	95.1 Å²	95.1	62%	0.621	46%	0.456	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.1	112.1	175.8	-56.8	173.9	0	0	0	109.6	V55 R93	V55-I91 HydrophobicContact CG2-CG1 4.46Å; I91-R93 HydrophobicContact CG2-CG 4.4Å; I91-R93 PolarHBondContact O-N 3.48Å
92	N	76.8	Confident	73.7	Confident	48 Å²	48	85.9 Å²	85.9	26%	0.257	42%	0.419	S	S	.	.			trans	-84.9	79.8	-176	-165.4	-32.3	0	0	0	111.7	P54 K90 Q94 L95 D96	P54-N92 WeakPolarHBondContact CG-O 3.41Å; P54-N92 PolarHBondContact O-N 2.76Å; K90-N92 PolarHBondContact O-N 3.16Å; N92-Q94 PolarHBondContact O-N 2.91Å; N92-Q94 VanDerWaalsContact O-N 3.1Å; N92-Q94 PolarHBondContact OD1-N 2.88Å; N92-L95 HydrophobicContact CB-CB 4.22Å; N92-L95 HydrophobicContact CB-CD1 4.09Å; N92-L95 HydrophobicContact CB-CG 4.33Å; N92-L95 WeakPolarHBondContact ND2-CD1 3.2Å; N92-L95 PolarHBondContact O-N 3.04Å; N92-L95 VanDerWaalsContact O-N 3.12Å; N92-L95 PolarHBondContact OD1-N 3.5Å; N92-D96 PolarHBondContact O-N 3.01Å; N92-D96 VanDerWaalsContact O-N 3.11Å
93	R	77.8	Confident	74	Confident	195 Å²	195	88.4 Å²	88.4	74%	0.736	42%	0.424	S	S	*	.	H	α-helix	trans	-58	-21.3	177.3	-69.3	-178.9	172.7	172.1	-2.3	114.1	I91 N97	I91-R93 HydrophobicContact CG2-CG 4.4Å; I91-R93 PolarHBondContact O-N 3.48Å; R93-N97 PolarHBondContact O-N 2.93Å; R93-N97 PolarHBondContact O-ND2 3.03Å
94	Q	75.6	Confident	74.6	Confident	152 Å²	152	90.2 Å²	90.2	71%	0.71	42%	0.422	S	S	*	.	H	α-helix	trans	-75.3	-43.1	175.4	-64.6	-169.1	9.3	0	0	111.4	N92 D96 N97 M98	N92-Q94 PolarHBondContact O-N 2.91Å; N92-Q94 VanDerWaalsContact O-N 3.1Å; N92-Q94 PolarHBondContact OD1-N 2.88Å; Q94-D96 VanDerWaalsContact C-N 3.34Å; Q94-D96 PolarHBondContact O-N 3.47Å; Q94-N97 PolarHBondContact O-N 3.02Å; Q94-M98 PolarHBondContact O-N 3.38Å
95	L	78.6	Confident	75.4	Confident	27 Å²	27	94.3 Å²	94.3	14%	0.141	44%	0.443	C	S	.	.	H	α-helix	trans	-63.3	-38.5	172.8	-72.5	177.1	0	0	0	112	L42 P54 I63 N92 N97 M98 I99	L42-L95 HydrophobicContact CD2-CD2 4.34Å; P54-L95 HydrophobicContact CB-CB 4.06Å; P54-L95 HydrophobicContact CB-CD1 4.35Å; P54-L95 HydrophobicContact CG-CB 3.67Å; I63-L95 HydrophobicContact CD1-CD1 3.75Å; I63-L95 HydrophobicContact CG1-CD1 4.36Å; I63-L95 HydrophobicContact CG2-CD1 3.9Å; N92-L95 HydrophobicContact CB-CB 4.22Å; N92-L95 HydrophobicContact CB-CD1 4.09Å; N92-L95 HydrophobicContact CB-CG 4.33Å; N92-L95 WeakPolarHBondContact ND2-CD1 3.2Å; N92-L95 PolarHBondContact O-N 3.04Å; N92-L95 VanDerWaalsContact O-N 3.12Å; N92-L95 PolarHBondContact OD1-N 3.5Å; L95-N97 PolarHBondContact O-N 2.61Å; L95-M98 HydrophobicContact CD2-SD 4.27Å; L95-M98 CarbonylContact O-C 3.57Å; L95-M98 WeakPolarHBondContact O-CA 3.42Å; L95-M98 WeakPolarHBondContact O-CB 3.49Å; L95-M98 PolarHBondContact O-N 3.44Å; L95-M98 VanDerWaalsContact O-N 3.09Å; L95-I99 WeakPolarHBondContact O-CD1 3.4Å; L95-I99 VanDerWaalsContact O-CG1 3.24Å; L95-I99 WeakPolarHBondContact O-CG1 3.27Å; L95-I99 PolarHBondContact O-N 3.36Å
96	D	78.1	Confident	76.1	Confident	45 Å²	45	88.8 Å²	88.8	24%	0.241	42%	0.424	C	S	.	.	H	α-helix	trans	-61.1	-44.2	176.4	-165.4	77.4	0	0	0	112	P54 N92 Q94 M98 I99 Q100	P54-D96 HydrophobicContact CG-CB 4.14Å; N92-D96 PolarHBondContact O-N 3.01Å; N92-D96 VanDerWaalsContact O-N 3.11Å; Q94-D96 VanDerWaalsContact C-N 3.34Å; Q94-D96 PolarHBondContact O-N 3.47Å; D96-M98 VanDerWaalsContact C-N 3.31Å; D96-M98 PolarHBondContact O-N 3.31Å; D96-I99 PolarHBondContact O-N 3.5Å; D96-I99 VanDerWaalsContact O-N 3.13Å; D96-Q100 WeakPolarHBondContact O-CG 3.44Å; D96-Q100 PolarHBondContact O-N 2.71Å; D96-Q100 PolarHBondContact OD2-NE2 2.98Å
97	N	79.6	Confident	77.3	Confident	94 Å²	94	87 Å²	87	50%	0.503	42%	0.416	S	S	.	.	H	α-helix	trans	-59.3	-39.5	172	-80.8	-75.6	0	0	0	112.4	R93 Q94 L95 Q100 L101	R93-N97 PolarHBondContact O-N 2.93Å; R93-N97 PolarHBondContact O-ND2 3.03Å; Q94-N97 PolarHBondContact O-N 3.02Å; L95-N97 PolarHBondContact O-N 2.61Å; N97-Q100 PolarHBondContact O-N 3.43Å; N97-L101 WeakPolarHBondContact O-CB 3.29Å; N97-L101 VanDerWaalsContact O-CG 3.3Å; N97-L101 WeakPolarHBondContact O-CG 3.44Å; N97-L101 PolarHBondContact O-N 3.14Å
98	M	79.8	Confident	78.2	Confident	89 Å²	89	84.7 Å²	84.7	44%	0.438	40%	0.404	S	S	.	.	H	α-helix	trans	-65.1	-38.4	173.9	-73.5	180	58.4	0	0	112.7	L38 Q94 L95 D96 L101 Y102	L38-M98 HydrophobicContact CD1-CE 4.48Å; Q94-M98 PolarHBondContact O-N 3.38Å; L95-M98 HydrophobicContact CD2-SD 4.27Å; L95-M98 CarbonylContact O-C 3.57Å; L95-M98 WeakPolarHBondContact O-CA 3.42Å; L95-M98 WeakPolarHBondContact O-CB 3.49Å; L95-M98 PolarHBondContact O-N 3.44Å; L95-M98 VanDerWaalsContact O-N 3.09Å; D96-M98 VanDerWaalsContact C-N 3.31Å; D96-M98 PolarHBondContact O-N 3.31Å; M98-L101 PolarHBondContact O-N 3.49Å; M98-Y102 VanDerWaalsContact O-CB 3.3Å; M98-Y102 WeakPolarHBondContact O-CB 3.33Å; M98-Y102 PolarHBondContact O-N 3.01Å
99	I	82.6	Confident	78.6	Confident	0 Å²	0	83.7 Å²	83.7	0%	0	40%	0.398	C	S	.	.	H	α-helix	trans	-68.3	-39.2	177.2	-66.6	154.7	0	0	0	110.7	L42 I50 L51 P54 L95 D96 Y102 R103	L42-I99 HydrophobicContact CD1-CG1 4.2Å; L42-I99 HydrophobicContact CD2-CG1 4.11Å; I50-I99 HydrophobicContact CG2-CG2 4Å; L51-I99 HydrophobicContact CB-CD1 3.48Å; L51-I99 VanDerWaalsContact CB-CD1 3.48Å; L51-I99 HydrophobicContact CB-CG1 4.49Å; L51-I99 HydrophobicContact CD1-CD1 4.46Å; P54-I99 HydrophobicContact CB-CD1 4.41Å; P54-I99 HydrophobicContact CG-CD1 3.91Å; L95-I99 WeakPolarHBondContact O-CD1 3.4Å; L95-I99 VanDerWaalsContact O-CG1 3.24Å; L95-I99 WeakPolarHBondContact O-CG1 3.27Å; L95-I99 PolarHBondContact O-N 3.36Å; D96-I99 PolarHBondContact O-N 3.5Å; D96-I99 VanDerWaalsContact O-N 3.13Å; I99-Y102 WeakPolarHBondContact O-CB 3.46Å; I99-Y102 PolarHBondContact O-N 3.27Å; I99-R103 WeakPolarHBondContact O-CG 3.31Å; I99-R103 PolarHBondContact O-N 3.44Å
100	Q	81.2	Confident	78.5	Confident	80 Å²	80	85.9 Å²	85.9	37%	0.374	41%	0.407	S	S	.	.	H	α-helix	trans	-64.3	-40.4	172.7	-68.4	-176.4	36.1	0	0	112.3	D96 N97 K104	D96-Q100 WeakPolarHBondContact O-CG 3.44Å; D96-Q100 PolarHBondContact O-N 2.71Å; D96-Q100 PolarHBondContact OD2-NE2 2.98Å; N97-Q100 PolarHBondContact O-N 3.43Å; Q100-K104 WeakPolarHBondContact O-CG 3.47Å; Q100-K104 PolarHBondContact O-N 2.94Å; Q100-K104 VanDerWaalsContact O-N 3.13Å
101	L	82.4	Confident	77.7	Confident	113 Å²	113	85.4 Å²	85.4	59%	0.592	41%	0.41	S	S	*	.	H	α-helix	trans	-67.5	-40.3	174.2	-73	168.9	0	0	0	111.9	N97 M98 K104 L105	N97-L101 WeakPolarHBondContact O-CB 3.29Å; N97-L101 VanDerWaalsContact O-CG 3.3Å; N97-L101 WeakPolarHBondContact O-CG 3.44Å; N97-L101 PolarHBondContact O-N 3.14Å; M98-L101 PolarHBondContact O-N 3.49Å; L101-K104 PolarHBondContact O-N 3.24Å; L101-L105 PolarHBondContact O-N 3.39Å
102	Y	84.9	Confident	76.5	Confident	4 Å²	4	86.1 Å²	86.1	2%	0.016	42%	0.415	C	S	.	.	H	α-helix	trans	-56.9	-51.1	173.3	169.4	-84.5	0	0	0	111.1	L35 L38 E39 L42 I50 M98 I99 K104 L105 Q106	L35-Y102 HydrophobicContact CD1-CD2 3.9Å; L35-Y102 HydrophobicContact CD1-CE2 3.7Å; L35-Y102 HydrophobicContact CD2-CE2 4.35Å; L35-Y102 HydrophobicContact CG-CD2 4.32Å; L35-Y102 HydrophobicContact CG-CE2 3.63Å; L38-Y102 HydrophobicContact CD2-CD2 4.03Å; L38-Y102 HydrophobicContact CG-CD2 4.04Å; E39-Y102 HydrophobicContact CB-CE2 3.78Å; E39-Y102 WeakPolarHBondContact CB-OH 3.3Å; E39-Y102 HydrophobicContact CG-CE2 4.3Å; E39-Y102 WeakPolarHBondContact CG-OH 3.4Å; E39-Y102 PolarHBondContact OE2-OH 3.3Å; L42-Y102 HydrophobicContact CD1-CD2 4.11Å; L42-Y102 HydrophobicContact CD1-CG 4.02Å; I50-Y102 HydrophobicContact CD1-CD1 4.27Å; I50-Y102 HydrophobicContact CD1-CE1 3.55Å; M98-Y102 VanDerWaalsContact O-CB 3.3Å; M98-Y102 WeakPolarHBondContact O-CB 3.33Å; M98-Y102 PolarHBondContact O-N 3.01Å; I99-Y102 WeakPolarHBondContact O-CB 3.46Å; I99-Y102 PolarHBondContact O-N 3.27Å; Y102-K104 VanDerWaalsContact C-N 3.34Å; Y102-K104 PolarHBondContact O-N 3.03Å; Y102-L105 CarbonylContact O-C 3.59Å; Y102-L105 PolarHBondContact O-N 3.32Å; Y102-L105 VanDerWaalsContact O-N 3.13Å; Y102-Q106 HydrophobicContact CE1-CB 4.32Å; Y102-Q106 WeakPolarHBondContact O-CB 3.5Å; Y102-Q106 PolarHBondContact O-N 3.4Å
103	R	81.7	Confident	75.1	Confident	99 Å²	99	93 Å²	93	37%	0.374	44%	0.443	S	S	.	.	H	α-helix	trans	-60.5	-42.2	178.9	-69.6	176.3	-165.2	162.3	9.6	111.6	L51 I99 L105 Q106 N107	L51-R103 PolarHBondContact O-NH2 3.01Å; I99-R103 WeakPolarHBondContact O-CG 3.31Å; I99-R103 PolarHBondContact O-N 3.44Å; R103-L105 VanDerWaalsContact C-N 3.35Å; R103-L105 PolarHBondContact O-N 2.96Å; R103-Q106 WeakPolarHBondContact O-CB 3.38Å; R103-Q106 PolarHBondContact O-N 3.38Å; R103-N107 PolarHBondContact O-N 2.96Å; R103-N107 PolarHBondContact O-OD1 3.34Å; R103-N107 VanDerWaalsContact O-OD1 3.05Å
104	K	81.9	Confident	72.9	Confident	129 Å²	129	92.1 Å²	92.1	56%	0.561	45%	0.452	S	S	*	.	H	α-helix	trans	-61.3	-40.6	174.8	-73	167.6	-178.6	170.1	0	112.3	Q100 L101 Y102 L108	Q100-K104 WeakPolarHBondContact O-CG 3.47Å; Q100-K104 PolarHBondContact O-N 2.94Å; Q100-K104 VanDerWaalsContact O-N 3.13Å; L101-K104 PolarHBondContact O-N 3.24Å; Y102-K104 VanDerWaalsContact C-N 3.34Å; Y102-K104 PolarHBondContact O-N 3.03Å; K104-L108 WeakPolarHBondContact O-CD1 3.47Å; K104-L108 VanDerWaalsContact O-CG 3.29Å; K104-L108 WeakPolarHBondContact O-CG 3.4Å; K104-L108 PolarHBondContact O-N 2.96Å
105	L	80.2	Confident	70.9	Confident	91 Å²	91	90.3 Å²	90.3	48%	0.476	46%	0.456	S	S	.	.	H	α-helix	trans	-72.6	-32	176.3	-153	80.8	0	0	0	112.5	L35 L101 Y102 R103 L109	L35-L105 HydrophobicContact CD1-CB 4.12Å; L35-L105 HydrophobicContact CD1-CD2 3.94Å; L35-L105 HydrophobicContact CD1-CG 4.38Å; L101-L105 PolarHBondContact O-N 3.39Å; Y102-L105 CarbonylContact O-C 3.59Å; Y102-L105 PolarHBondContact O-N 3.32Å; Y102-L105 VanDerWaalsContact O-N 3.13Å; R103-L105 VanDerWaalsContact C-N 3.35Å; R103-L105 PolarHBondContact O-N 2.96Å; L105-L109 HydrophobicContact CD2-CD1 4.47Å; L105-L109 HydrophobicContact CG-CD1 4.33Å; L105-L109 WeakPolarHBondContact O-CB 3.15Å; L105-L109 WeakPolarHBondContact O-CG 3.47Å; L105-L109 PolarHBondContact O-N 3.03Å
106	Q	81.3	Confident	68.7	Low	55 Å²	55	96.3 Å²	96.3	26%	0.257	49%	0.488	S	S	.	.	H	α-helix	trans	-62.9	-53.5	175.8	-173.8	175.5	9.8	0	0	110.3	L35 Y102 R103 L108 L109 H110	L35-Q106 HydrophobicContact CD2-CB 4.09Å; L35-Q106 HydrophobicContact CD2-CG 4.09Å; Y102-Q106 HydrophobicContact CE1-CB 4.32Å; Y102-Q106 WeakPolarHBondContact O-CB 3.5Å; Y102-Q106 PolarHBondContact O-N 3.4Å; R103-Q106 WeakPolarHBondContact O-CB 3.38Å; R103-Q106 PolarHBondContact O-N 3.38Å; Q106-L108 PolarHBondContact O-N 2.98Å; Q106-L109 PolarHBondContact O-N 3.44Å; Q106-L109 VanDerWaalsContact O-N 3.08Å; Q106-H110 PolarHBondContact O-N 3.36Å; Q106-H110 VanDerWaalsContact O-N 3.11Å; Q106-H110 PolarHBondContact O-ND1 3.47Å
107	N	80.1	Confident	67.1	Low	91 Å²	91	99.3 Å²	99.3	49%	0.487	51%	0.51	S	S	.	.	H	α-helix	trans	-53.5	-55.6	177.6	-66.8	23.9	0	0	0	110.9	R103 L109 H110 D111	R103-N107 PolarHBondContact O-N 2.96Å; R103-N107 PolarHBondContact O-OD1 3.34Å; R103-N107 VanDerWaalsContact O-OD1 3.05Å; N107-L109 PolarHBondContact O-N 3.09Å; N107-H110 PolarHBondContact O-N 2.8Å; N107-D111 WeakPolarHBondContact O-CB 3.41Å; N107-D111 PolarHBondContact O-N 2.85Å; N107-D111 VanDerWaalsContact O-OD2 3.04Å
108	L	77.3	Confident	64.8	Low	118 Å²	118	103.2 Å²	103.2	62%	0.618	52%	0.523	S	S	*	.	H	α-helix	trans	-55.2	-20.9	179.2	-69.6	170.9	0	0	0	115	K104 Q106	K104-L108 WeakPolarHBondContact O-CD1 3.47Å; K104-L108 VanDerWaalsContact O-CG 3.29Å; K104-L108 WeakPolarHBondContact O-CG 3.4Å; K104-L108 PolarHBondContact O-N 2.96Å; Q106-L108 PolarHBondContact O-N 2.98Å
109	L	70.9	Confident	62.3	Low	22 Å²	22	104.6 Å²	104.6	12%	0.115	53%	0.532	C	S	.	.	H	α-helix	trans	-98.5	-12.1	176.6	-71.1	173.8	0	0	0	114.3	W28 R32 L35 L105 Q106 N107	W28-L109 HydrophobicContact CB-CD2 3.74Å; W28-L109 HydrophobicContact CD2-CD2 4.19Å; W28-L109 HydrophobicContact CE3-CD2 4.37Å; W28-L109 HydrophobicContact CG-CD2 3.93Å; R32-L109 HydrophobicContact CG-CB 4.46Å; L35-L109 HydrophobicContact CD2-CD1 4.45Å; L105-L109 HydrophobicContact CD2-CD1 4.47Å; L105-L109 HydrophobicContact CG-CD1 4.33Å; L105-L109 WeakPolarHBondContact O-CB 3.15Å; L105-L109 WeakPolarHBondContact O-CG 3.47Å; L105-L109 PolarHBondContact O-N 3.03Å; Q106-L109 PolarHBondContact O-N 3.44Å; Q106-L109 VanDerWaalsContact O-N 3.08Å; N107-L109 PolarHBondContact O-N 3.09Å
110	H	67.3	Low	59.6	Low	103 Å²	103	111.1 Å²	111.1	48%	0.477	57%	0.567	S	S	.	*	H	α-helix	trans	-106.5	-28.2	178	-68.3	73.4	0	0	0	112.8	Q106 N107 N112 K113	Q106-H110 PolarHBondContact O-N 3.36Å; Q106-H110 VanDerWaalsContact O-N 3.11Å; Q106-H110 PolarHBondContact O-ND1 3.47Å; N107-H110 PolarHBondContact O-N 2.8Å; H110-N112 PolarHBondContact O-N 3.49Å; H110-K113 PolarHBondContact O-N 2.94Å; H110-K113 VanDerWaalsContact O-N 3.1Å
111	D	56.9	Low	57	Low	117 Å²	117	113.3 Å²	113.3	63%	0.626	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	4.2	-180	-60.4	-25.3	0	0	0	114.4	N107	N107-D111 WeakPolarHBondContact O-CB 3.41Å; N107-D111 PolarHBondContact O-N 2.85Å; N107-D111 VanDerWaalsContact O-OD2 3.04Å
112	N	52.3	Low	54.4	Low	136 Å²	136	113 Å²	113	73%	0.727	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.6	14	173.2	-69.2	-90.1	0	0	0	113.1	H110	H110-N112 PolarHBondContact O-N 3.49Å
113	K	46.4	Very low	51.7	Low	194 Å²	194	123.5 Å²	123.5	84%	0.843	63%	0.633	S	S	*	*			trans	-137.6	76	172.1	-79.9	-161	171.3	-165.4	0	112.2	H110	H110-K113 PolarHBondContact O-N 2.94Å; H110-K113 VanDerWaalsContact O-N 3.1Å
114	L	32.8	Very low	49	Very low	175 Å²	175	125.5 Å²	125.5	92%	0.916	66%	0.656	S	S	*	*			trans	-122.5	123.8	153.2	-94.1	166.9	0	0	0	108.6
115	S	32.5	Very low	46.4	Very low	115 Å²	115	122.9 Å²	122.9	80%	0.804	67%	0.666	S	S	*	*			trans	-136.3	107.7	173.1	55.9	0	0	0	0	107.6
116	D	32.3	Very low	43.8	Very low	152 Å²	152	124.2 Å²	124.2	81%	0.813	68%	0.683	S	S	*	*			trans	-58.5	167.6	166.2	-84.6	-57.9	0	0	0	112
117	P	45	Very low	41.1	Very low	108 Å²	108	130.5 Å²	130.5	70%	0.701	71%	0.71	S	S	*	*			cis	-135.5	156.6	13.8	36.9	-19.2	0	0	0	117
118	K	30.6	Very low	38.6	Very low	177 Å²	177	134.5 Å²	134.5	77%	0.77	73%	0.731	S	S	*	*				172.6	152.7	107.7	-97.4	-170	174.2	-165.8	0	115.5
119	D	27.6	Very low	36.6	Very low	118 Å²	118	136 Å²	136	63%	0.631	74%	0.739	S	S	*	*			trans	61.8	83.5	157.6	-69.8	-59.3	0	0	0	121
120	N	26.4	Very low	34.7	Very low	136 Å²	136	139.3 Å²	139.3	73%	0.727	77%	0.771	S	S	*	*				56.6	114.3	113	-67.8	-51.1	0	0	0	120.2
121	T	26	Very low	33.2	Very low	126 Å²	126	140.7 Å²	140.7	77%	0.773	78%	0.777	S	S	*	*				-173.2	95.6	104	-70.9	0	0	0	0	112.7
122	S	29.2	Very low	32.2	Very low	107 Å²	107	141 Å²	141	75%	0.748	79%	0.788	S	S	*	*			trans	63	157.7	158	85.2	0	0	0	0	118.5
123	R	27.6	Very low	31.6	Very low	225 Å²	225	141.9 Å²	141.9	85%	0.849	79%	0.786	S	S	*	*			cis	-152	125.9	3.5	-149.3	167.1	-173.9	168.3	0.6	111.3
124	T	24.8	Very low	31.4	Very low	141 Å²	141	142.5 Å²	142.5	87%	0.865	79%	0.788	S	S	*	*			trans	42.8	113.8	151.7	-43.7	0	0	0	0	120.7
125	G	26.5	Very low	31.9	Very low	74 Å²	74	138.6 Å²	138.6	76%	0.763	77%	0.768	S	S	*	*			trans	-167.1	104.8	157.1	0	0	0	0	0	110.3
126	S	26.3	Very low	32.2	Very low	119 Å²	119	136.7 Å²	136.7	83%	0.832	76%	0.755	S	S	*	*			trans	-83.3	134.1	-170.2	51.5	0	0	0	0	113.5
127	F	25.3	Very low	32.8	Very low	187 Å²	187	134.3 Å²	134.3	82%	0.82	74%	0.741	S	S	*	*			trans	-83.5	150.3	154.5	-85.7	-97.7	0	0	0	110.3
128	D	27.4	Very low	32.5	Very low	175 Å²	175	135.7 Å²	135.7	94%	0.936	74%	0.736	S	S	*	*			trans	-126.2	143.8	138.3	-103.8	-45.1	0	0	0	106.8
129	D	34.8	Very low	33.2	Very low	148 Å²	148	133 Å²	133	79%	0.791	73%	0.728	S	S	*	*			trans	-119.9	141.4	-162.7	-170.1	11.8	0	0	0	113
130	A	29.8	Very low	34.2	Very low	93 Å²	93	133.8 Å²	133.8	77%	0.769	72%	0.722	S	S	*	*			trans	-155.6	65.9	-173.5	0	0	0	0	0	114.4
131	E	36.4	Very low	34.7	Very low	132 Å²	132	134.6 Å²	134.6	62%	0.617	72%	0.719	S	S	*	*			trans	54.6	77.4	143.2	-156.6	-159.9	175.8	0	0	118.7	K133	E131-K133 HydrophobicContact CG-CG 4.48Å; E131-K133 PolarHBondContact O-N 3.32Å; E131-K133 WeakPolarHBondContact OE1-CE 3.46Å; E131-K133 IonicContact OE1-NZ 3.51Å; E131-K133 PolarHBondContact OE1-NZ 3.47Å; E131-K133 IonicContact OE2-NZ 3.75Å; E131-K133 PolarHBondContact OE2-NZ 2.85Å
132	S	36.4	Very low	35.9	Very low	122 Å²	122	131 Å²	131	85%	0.853	70%	0.7	S	S	*	*			trans	-74.9	91.7	174.4	59.6	0	0	0	0	114.3	K134	S132-K134 PolarHBondContact O-N 3.4Å
133	K	38.7	Very low	36.4	Very low	155 Å²	155	131.7 Å²	131.7	67%	0.674	70%	0.701	S	S	*	*			trans	-65.6	125.5	177.3	-69.8	-179	166.6	96.9	0	112.6	E131 N135	E131-K133 HydrophobicContact CG-CG 4.48Å; E131-K133 PolarHBondContact O-N 3.32Å; E131-K133 WeakPolarHBondContact OE1-CE 3.46Å; E131-K133 IonicContact OE1-NZ 3.51Å; E131-K133 PolarHBondContact OE1-NZ 3.47Å; E131-K133 IonicContact OE2-NZ 3.75Å; E131-K133 PolarHBondContact OE2-NZ 2.85Å; K133-N135 PolarHBondContact O-N 3Å
134	K	43	Very low	36.8	Very low	208 Å²	208	133.1 Å²	133.1	90%	0.904	71%	0.707	S	S	*	*			trans	-73	114.9	-169.4	-66.8	172.5	-178.6	169.6	0	113.3	S132 S136	S132-K134 PolarHBondContact O-N 3.4Å; K134-S136 PolarHBondContact O-N 3.14Å
135	N	43.6	Very low	38.3	Very low	93 Å²	93	129.3 Å²	129.3	50%	0.497	69%	0.686	S	S	.	*			trans	-69.5	115.9	166.1	-71.3	-62.3	0	0	0	110.2	K133 I137 N153	K133-N135 PolarHBondContact O-N 3Å; N135-I137 PolarHBondContact O-N 2.85Å; N135-N153 PolarHBondContact OD1-O 2.75Å
136	S	39.3	Very low	39.5	Very low	75 Å²	75	135 Å²	135	52%	0.524	69%	0.689	S	S	.	*			trans	-79.4	116.1	177.9	68.6	0	0	0	0	111.4	K134	K134-S136 PolarHBondContact O-N 3.14Å
137	I	44	Very low	40.3	Very low	101 Å²	101	136.7 Å²	136.7	52%	0.518	68%	0.682	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.7	126.9	171.4	-55.4	-174.1	0	0	0	108.2	N135 M139 C150 V152	N135-I137 PolarHBondContact O-N 2.85Å; I137-M139 HydrophobicContact CG2-CG 4.2Å; I137-M139 HydrophobicContact CG2-SD 4.42Å; I137-C150 WeakPolarHBondContact CG2-SG 3.41Å; I137-V152 HydrophobicContact CD1-CG2 4.21Å; I137-V152 HydrophobicContact CG1-CG1 4.27Å; I137-V152 HydrophobicContact CG1-CG2 4.03Å; I137-V152 HydrophobicContact CG2-CG2 4.17Å
138	K	39.8	Very low	41.5	Very low	137 Å²	137	130.7 Å²	130.7	60%	0.596	66%	0.661	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-114.8	134.3	171.9	-69.5	-170.7	178	-178	0	110.6	W140 C150 V151	K138-W140 HydrophobicContact CB-CE3 4.39Å; K138-W140 HydrophobicContact CB-CH2 3.92Å; K138-W140 HydrophobicContact CB-CZ3 3.59Å; K138-W140 HydrophobicContact CD-CZ3 4.27Å; K138-C150 WeakPolarHBondContact O-CA 3.42Å; K138-V151 PolarHBondContact N-O 3.27Å; K138-V151 PolarHBondContact O-N 2.95Å
139	M	43.7	Very low	42.1	Very low	120 Å²	120	131.6 Å²	131.6	59%	0.591	65%	0.651	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-133	147.5	-177.7	-70	174.3	64.6	0	0	110.7	I137 V148 R149 C150	I137-M139 HydrophobicContact CG2-CG 4.2Å; I137-M139 HydrophobicContact CG2-SD 4.42Å; M139-V148 HydrophobicContact CE-CG1 3.68Å; M139-R149 VanDerWaalsContact CA-O 3.31Å; M139-R149 WeakPolarHBondContact CA-O 3.46Å; M139-C150 HydrophobicContact CG-CB 3.8Å
140	W	50.1	Low	42.2	Very low	135 Å²	135	127.8 Å²	127.8	51%	0.511	64%	0.635	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-145	138.7	177	27	78.4	0	0	0	111.5	K138 V148 R149 V151	K138-W140 HydrophobicContact CB-CE3 4.39Å; K138-W140 HydrophobicContact CB-CH2 3.92Å; K138-W140 HydrophobicContact CB-CZ3 3.59Å; K138-W140 HydrophobicContact CD-CZ3 4.27Å; W140-V148 WeakPolarHBondContact O-CA 3.25Å; W140-R149 PolarHBondContact N-O 2.69Å; W140-R149 VanDerWaalsContact N-O 3.17Å; W140-R149 PolarHBondContact O-N 3.24Å; W140-V151 HydrophobicContact CZ2-CG2 4.32Å
141	F	35.6	Very low	42.7	Very low	154 Å²	154	126.9 Å²	126.9	68%	0.675	62%	0.62	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-94.8	141.7	172.1	-97.4	-96.7	0	0	0	110.5	V148	F141-V148 HydrophobicContact CD1-CG2 4.05Å; F141-V148 HydrophobicContact CD2-CG1 4.23Å; F141-V148 HydrophobicContact CD2-CG2 3.94Å; F141-V148 HydrophobicContact CE1-CG2 3.61Å; F141-V148 HydrophobicContact CE2-CB 4.49Å; F141-V148 HydrophobicContact CE2-CG1 4.2Å; F141-V148 HydrophobicContact CE2-CG2 3.48Å; F141-V148 VanDerWaalsContact CE2-CG2 3.48Å; F141-V148 HydrophobicContact CG-CG2 4.22Å; F141-V148 HydrophobicContact CZ-CG2 3.31Å
142	S	50.8	Low	43	Very low	51 Å²	51	124 Å²	124	36%	0.357	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.4	105.6	169.4	169.5	0	0	0	0	109.4	R144 S145 K146 K147	S142-R144 PolarHBondContact O-N 2.98Å; S142-S145 WeakPolarHBondContact CB-OG 3.43Å; S142-S145 PolarHBondContact O-N 3.06Å; S142-S145 PolarHBondContact OG-OG 3.35Å; S142-K146 PolarHBondContact O-N 3.45Å; S142-K147 PolarHBondContact N-O 3.46Å
143	P	40.1	Very low	43.3	Very low	121 Å²	121	123.4 Å²	123.4	79%	0.786	60%	0.599	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.8	-36.3	-175.6	-28.2	35.6	0	0	0	113.6	S145	P143-S145 VanDerWaalsContact C-N 3.31Å; P143-S145 PolarHBondContact O-N 2.96Å
144	R	36.7	Very low	43.3	Very low	254 Å²	254	124 Å²	124	96%	0.958	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-14.3	178.6	-71.6	-173.2	174.8	-174.6	-1.2	114.9	S142	S142-R144 PolarHBondContact O-N 2.98Å
145	S	55.6	Low	43	Very low	62 Å²	62	120.8 Å²	120.8	43%	0.434	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-125.1	-4.9	-175.6	67.7	0	0	0	0	115.3	S142 P143 K147	S142-S145 WeakPolarHBondContact CB-OG 3.43Å; S142-S145 PolarHBondContact O-N 3.06Å; S142-S145 PolarHBondContact OG-OG 3.35Å; P143-S145 VanDerWaalsContact C-N 3.31Å; P143-S145 PolarHBondContact O-N 2.96Å; S145-K147 PolarHBondContact O-N 3.28Å
146	K	52.1	Low	42.5	Very low	192 Å²	192	121.5 Å²	121.5	84%	0.835	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	50.6	25.3	-177.9	-61	-172.2	178	-175.1	0	114.2	S142	S142-K146 PolarHBondContact O-N 3.45Å
147	K	44.1	Very low	42	Very low	155 Å²	155	124.1 Å²	124.1	67%	0.674	62%	0.623	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-112.4	145.2	177.2	-74.4	180	-179.5	-179.7	0	110.9	S142 S145	S142-K147 PolarHBondContact N-O 3.46Å; S145-K147 PolarHBondContact O-N 3.28Å
148	V	49.4	Very low	41.5	Very low	62 Å²	62	125 Å²	125	38%	0.376	64%	0.635	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.8	144.6	172.9	-163.1	0	0	0	0	108.2	M139 W140 F141	M139-V148 HydrophobicContact CE-CG1 3.68Å; W140-V148 WeakPolarHBondContact O-CA 3.25Å; F141-V148 HydrophobicContact CD1-CG2 4.05Å; F141-V148 HydrophobicContact CD2-CG1 4.23Å; F141-V148 HydrophobicContact CD2-CG2 3.94Å; F141-V148 HydrophobicContact CE1-CG2 3.61Å; F141-V148 HydrophobicContact CE2-CB 4.49Å; F141-V148 HydrophobicContact CE2-CG1 4.2Å; F141-V148 HydrophobicContact CE2-CG2 3.48Å; F141-V148 VanDerWaalsContact CE2-CG2 3.48Å; F141-V148 HydrophobicContact CG-CG2 4.22Å; F141-V148 HydrophobicContact CZ-CG2 3.31Å
149	R	39.4	Very low	40.8	Very low	193 Å²	193	124.8 Å²	124.8	73%	0.728	65%	0.646	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-121.3	150.4	160.8	-58.6	-168.9	-163.6	-163.2	7.5	109.4	M139 W140	M139-R149 VanDerWaalsContact CA-O 3.31Å; M139-R149 WeakPolarHBondContact CA-O 3.46Å; W140-R149 PolarHBondContact N-O 2.69Å; W140-R149 VanDerWaalsContact N-O 3.17Å; W140-R149 PolarHBondContact O-N 3.24Å
150	C	37.4	Very low	39.8	Very low	68 Å²	68	127.7 Å²	127.7	46%	0.459	66%	0.658	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134	139.8	-178.6	-178.8	0	0	0	0	108.3	I137 K138 M139	I137-C150 WeakPolarHBondContact CG2-SG 3.41Å; K138-C150 WeakPolarHBondContact O-CA 3.42Å; M139-C150 HydrophobicContact CG-CB 3.8Å
151	V	40.6	Very low	39.2	Very low	75 Å²	75	126.1 Å²	126.1	46%	0.455	67%	0.665	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130	134.4	169.7	-177.2	0	0	0	0	108.4	K138 W140	K138-V151 PolarHBondContact N-O 3.27Å; K138-V151 PolarHBondContact O-N 2.95Å; W140-V151 HydrophobicContact CZ2-CG2 4.32Å
152	V	43	Very low	38.7	Very low	70 Å²	70	128.2 Å²	128.2	42%	0.424	68%	0.677	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123	113.3	-179.8	-175.3	0	0	0	0	108	I137	I137-V152 HydrophobicContact CD1-CG2 4.21Å; I137-V152 HydrophobicContact CG1-CG1 4.27Å; I137-V152 HydrophobicContact CG1-CG2 4.03Å; I137-V152 HydrophobicContact CG2-CG2 4.17Å
153	N	41.6	Very low	37.7	Very low	111 Å²	111	135.4 Å²	135.4	59%	0.594	70%	0.702	S	S	*	*			trans	-90.7	130.6	170.8	-69.7	1.8	0	0	0	108.7	N135	N135-N153 PolarHBondContact OD1-O 2.75Å
154	K	39.4	Very low	36.9	Very low	167 Å²	167	135.9 Å²	135.9	73%	0.726	70%	0.703	S	S	*	*			trans	-117.3	145.1	168.6	-70	-173.2	175.3	-173.5	0	108.8
155	V	37	Very low	36.3	Very low	140 Å²	140	131.6 Å²	131.6	85%	0.848	69%	0.691	S	S	*	*			trans	-103.6	138.1	170.3	-178.2	0	0	0	0	108.2
156	S	33.7	Very low	34.9	Very low	109 Å²	109	134.8 Å²	134.8	76%	0.762	70%	0.703	S	S	*	*			trans	-123.9	129.7	-179	54.6	0	0	0	0	110.8
157	V	28.8	Very low	33.7	Very low	129 Å²	129	131.8 Å²	131.8	78%	0.782	70%	0.697	S	S	*	*			trans	-105.5	133.7	173.9	-179.2	0	0	0	0	108.8
158	P	32.3	Very low	32.9	Very low	119 Å²	119	132.6 Å²	132.6	77%	0.773	70%	0.7	S	S	*	*			trans	-95.6	138.1	175.9	35.2	-30.8	0	0	0	112.2
159	T	25.5	Very low	31.8	Very low	134 Å²	134	133.9 Å²	133.9	82%	0.822	72%	0.717	S	S	*	*			trans	-145	137.4	170.8	-36.1	0	0	0	0	111.2
160	Q	23.7	Very low	31.4	Very low	181 Å²	181	132.1 Å²	132.1	85%	0.846	72%	0.717	S	S	*	*			trans	-163	159.9	174.9	-132.4	-156.7	-7.5	0	0	108.2
161	P	37.6	Very low	31.1	Very low	101 Å²	101	136.7 Å²	136.7	66%	0.656	73%	0.732	S	S	*	*				-124.1	176.6	-57.3	30.4	-14.4	0	0	0	112.5
162	Q	24.9	Very low	30.4	Very low	199 Å²	199	137.5 Å²	137.5	93%	0.93	75%	0.746	S	S	*	*			trans	-134.1	166.4	154.1	-81.5	-164	-25.8	0	0	111.7
163	K	28.1	Very low	29.8	Very low	201 Å²	201	138.6 Å²	138.6	87%	0.874	76%	0.757	S	S	*	*			trans	-129.2	140.6	-171.6	-61.4	175.4	177.2	178.3	0	112.1
164	T	24.7	Very low	29.1	Very low	132 Å²	132	140.1 Å²	140.1	81%	0.81	76%	0.764	S	S	*	*			trans	-170.9	137.7	143.9	27.6	0	0	0	0	106.1
165	K	24.1	Very low	28.4	Very low	163 Å²	163	142.8 Å²	142.8	71%	0.709	77%	0.771	S	S	*	*				64.8	127.6	55.7	-68	-166.7	119.4	-60.3	0	112.8
166	D	26.4	Very low	27.9	Very low	129 Å²	129	143.5 Å²	143.5	69%	0.69	77%	0.765	S	S	*	*			cis	-134.4	-152.3	-16.4	-64.7	-57	0	0	0	105.9
167	D	26.8	Very low	27.4	Very low	129 Å²	129	148 Å²	148	69%	0.69	77%	0.771	S	S	*	*			cis	-162.7	166.1	1.5	-177.6	24.6	0	0	0	108.8
168	K	26.8	Very low	27.3	Very low	173 Å²	173	146.1 Å²	146.1	75%	0.752	76%	0.76	S	S	*	*			trans	65.9	129	169.7	-47.5	-168.5	-179.3	177.8	0	118.3
169	A	26.6	Very low	26.9	Very low	88 Å²	88	146.3 Å²	146.3	73%	0.727	76%	0.764	S	S	*	*			cis	78.7	132.7	43.2	0	0	0	0	0	113.4
170	Q	31.4	Very low	26.9	Very low	156 Å²	156	146.3 Å²	146.3	73%	0.729	76%	0.764	S	S	*	*			cis	-153.9	152.8	15	-139.2	168.7	-59.5	0	0	112.5
171	E	30.4	Very low	27.1	Very low	165 Å²	165	143 Å²	143	77%	0.771	76%	0.761	S	S	*	*			trans	37.3	142.4	147.7	-71.7	167.4	150.9	0	0	122.4
172	A	26.3	Very low	27.8	Very low	92 Å²	92	143.8 Å²	143.8	76%	0.76	77%	0.766	S	S	*	*			cis	-166	-153.2	-7.7	0	0	0	0	0	107.3
173	S	28.9	Very low	28.3	Very low	92 Å²	92	140.5 Å²	140.5	64%	0.643	76%	0.762	S	S	*	*			cis	-165	155.5	3.2	68	0	0	0	0	111.4
174	I	27	Very low	28.2	Very low	144 Å²	144	139.3 Å²	139.3	74%	0.738	76%	0.759	S	S	*	*			trans	68.1	134	152.8	-64.7	168.9	0	0	0	116.9
175	Y	26	Very low	28.2	Very low	222 Å²	222	140 Å²	140	87%	0.871	76%	0.763	S	S	*	*			cis	-122.2	147.5	4.1	-117.2	-62.4	0	0	0	110.9
176	E	26.3	Very low	28.3	Very low	156 Å²	156	138 Å²	138	73%	0.729	76%	0.764	S	S	*	*			trans	-135	150.9	172	178.3	173.7	-142.3	0	0	110	V178	E176-V178 HydrophobicContact CG-CG2 3.92Å; E176-V178 WeakPolarHBondContact OE1-CG2 3.26Å
177	F	22.2	Very low	28.5	Very low	204 Å²	204	136.8 Å²	136.8	90%	0.895	77%	0.766	S	S	*	*			trans	-147.2	124.3	158.8	-150.1	-91.7	0	0	0	111
178	V	27.2	Very low	28.6	Very low	89 Å²	89	139.2 Å²	139.2	54%	0.539	77%	0.77	S	S	.	*			trans	-115.4	138.2	-174.7	168.7	0	0	0	0	110.3	E176	E176-V178 HydrophobicContact CG-CG2 3.92Å; E176-V178 WeakPolarHBondContact OE1-CG2 3.26Å
179	S	24.7	Very low	28.6	Very low	122 Å²	122	142.7 Å²	142.7	85%	0.853	78%	0.778	S	S	*	*			trans	-79.3	117.7	167.3	-57.6	0	0	0	0	110.6
180	T	24.6	Very low	28.6	Very low	134 Å²	134	142.4 Å²	142.4	82%	0.822	78%	0.776	S	S	*	*			trans	-87.4	169.1	174.6	44.5	0	0	0	0	112.7
181	S	27.7	Very low	28.5	Very low	113 Å²	113	144.4 Å²	144.4	79%	0.79	78%	0.783	S	S	*	*			trans	-102.2	-173.2	-167.9	-50.1	0	0	0	0	112.1
182	P	52.9	Low	28.2	Very low	117 Å²	117	143.4 Å²	143.4	76%	0.76	79%	0.788	S	S	*	*			trans	-87.8	-176.1	-151.2	40.3	-42.6	0	0	0	115.4
183	P	34.6	Very low	28.2	Very low	130 Å²	130	143 Å²	143	84%	0.844	79%	0.785	S	S	*	*				-139.1	-169.2	104.5	40.1	-27.8	0	0	0	115.7
184	E	27.1	Very low	28.1	Very low	175 Å²	175	144 Å²	144	82%	0.818	79%	0.792	S	S	*	*			trans	-89.7	171.6	-166.9	-46.1	178.1	121.7	0	0	115.8
185	V	23.8	Very low	28.2	Very low	147 Å²	147	146.9 Å²	146.9	89%	0.891	79%	0.793	S	S	*	*				-166.9	153.4	128.1	142.1	0	0	0	0	110.3
186	V	27	Very low	28.2	Very low	121 Å²	121	141.6 Å²	141.6	73%	0.733	78%	0.784	S	S	*	*			trans	-137.7	137.2	-166	172.9	0	0	0	0	113.5
187	S	30.1	Very low	28.4	Very low	104 Å²	104	139.8 Å²	139.8	73%	0.727	79%	0.789	S	S	*	*			trans	-179.2	144.8	154.8	-165	0	0	0	0	113.4
188	K	29.7	Very low	28.7	Very low	179 Å²	179	134.6 Å²	134.6	78%	0.778	78%	0.784	S	S	*	*			cis	-169.7	159.5	-25.4	-107	162.6	-167	164	0	110.1
189	R	26.7	Very low	28.7	Very low	246 Å²	246	140.7 Å²	140.7	93%	0.928	80%	0.803	S	S	*	*			trans	68.8	148.3	160.7	-75.4	-176.9	169.1	176.5	-3.8	118.5
190	A	25.1	Very low	29	Very low	82 Å²	82	143.7 Å²	143.7	68%	0.678	80%	0.801	S	S	*	*			cis	-157.5	131	-15.7	0	0	0	0	0	114.5
191	K	29.4	Very low	29.2	Very low	199 Å²	199	146.2 Å²	146.2	87%	0.865	80%	0.803	S	S	*	*			trans	25.9	136.2	131.6	-61.2	-172.6	-179.1	-175.8	0	118.9
192	T	25.1	Very low	29.3	Very low	143 Å²	143	149.2 Å²	149.2	88%	0.877	81%	0.805	S	S	*	*				-128.1	-115.2	70.8	53	0	0	0	0	117.7
193	A	26.1	Very low	28.5	Very low	85 Å²	85	153.2 Å²	153.2	70%	0.702	81%	0.81	S	S	*	*			trans	-175.9	163.5	-145.1	0	0	0	0	0	111.6
194	S	27.4	Very low	28.3	Very low	112 Å²	112	157.2 Å²	157.2	78%	0.783	81%	0.814	S	S	*	*			cis	-154.3	-111.8	-17.5	45.3	0	0	0	0	111.1
195	R	28.3	Very low	28.6	Very low	204 Å²	204	153.9 Å²	153.9	77%	0.77	81%	0.81	S	S	*	*			cis	-160.6	127.2	-0.7	-161.3	-159	76	-163.1	-2.2	111.9
196	T	27.1	Very low	28.9	Very low	111 Å²	111	154.8 Å²	154.8	68%	0.681	81%	0.809	S	S	*	*			trans	60.4	150.2	158.2	45.9	0	0	0	0	120.3
197	S	29.5	Very low	28.8	Very low	119 Å²	119	153.4 Å²	153.4	83%	0.832	81%	0.811	S	S	*	*			cis	-151.4	172.4	-2.5	50.9	0	0	0	0	111.3
198	A	28.8	Very low	28.7	Very low	95 Å²	95	157.6 Å²	157.6	79%	0.785	82%	0.819	S	S	*	*			trans	-144	172.9	-177.5	0	0	0	0	0	112
199	K	27.7	Very low	28.8	Very low	217 Å²	217	156.8 Å²	156.8	94%	0.943	82%	0.821	S	S	*	*			trans	-150.4	151.4	152.4	-114.4	166	-173.8	178.4	0	112.8
200	K	30.4	Very low	28.9	Very low	185 Å²	185	152.4 Å²	152.4	80%	0.804	82%	0.816	S	S	*	*			trans	-117.6	155.4	-175.8	-85.2	179.2	173.5	175.5	0	110.4
201	Q	28.7	Very low	29.1	Very low	186 Å²	186	158.2 Å²	158.2	87%	0.869	83%	0.826	S	S	*	*				-174	112.9	126.1	-98.3	161.2	16	0	0	106.3
202	Q	29.6	Very low	29	Very low	177 Å²	177	159.2 Å²	159.2	83%	0.827	83%	0.83	S	S	*	*				83.3	129.6	54.1	-161.1	172.1	16	0	0	113.2
203	K	35.6	Very low	28.9	Very low	201 Å²	201	155.7 Å²	155.7	87%	0.874	82%	0.823	S	S	*	*			trans	-103.9	138.9	-165.1	-165.9	179.6	-174.5	-178.1	0	109.7
204	K	30.8	Very low	28.8	Very low	213 Å²	213	159.7 Å²	159.7	93%	0.926	83%	0.832	S	S	*	*			trans	-135.8	164.3	172	-87.7	-166.1	172.6	-171.2	0	111.1
205	S	34.1	Very low	28.8	Very low	106 Å²	106	159 Å²	159	74%	0.741	83%	0.827	S	S	*	*			trans	-156.2	159.3	-175.4	54.3	0	0	0	0	111.9
206	L	28.8	Very low	28.5	Very low	165 Å²	165	160.5 Å²	160.5	86%	0.864	83%	0.833	S	S	*	*			trans	75.5	124.7	170.7	-94.6	73.4	0	0	0	119.1
207	A	25	Very low	28.9	Very low	93 Å²	93	159.6 Å²	159.6	77%	0.769	83%	0.829	S	S	*	*				62.8	80.1	129	0	0	0	0	0	121
208	E	28.4	Very low	28.6	Very low	192 Å²	192	162.2 Å²	162.2	90%	0.897	83%	0.828	S	S	*	*			trans	-157.3	141.3	149.4	-115.2	164.3	-164.1	0	0	104.8
209	I	32.3	Very low	28.4	Very low	161 Å²	161	164.7 Å²	164.7	83%	0.826	83%	0.834	S	S	*	*			cis	-135.3	169.8	30.8	-72.3	164.5	0	0	0	111.3
210	N	29.6	Very low	28.3	Very low	154 Å²	154	163.3 Å²	163.3	82%	0.824	83%	0.831	S	S	*	*			trans	-73.7	157.3	-163.8	-70.8	-56.4	0	0	0	119.1
211	K	27.9	Very low	27.9	Very low	204 Å²	204	162.4 Å²	162.4	89%	0.887	84%	0.835	S	S	*	*			trans	-77	133.4	148.4	-76	-179	173.9	-178.4	0	110.7
212	K	27.6	Very low	27.7	Very low	220 Å²	220	158.8 Å²	158.8	96%	0.957	83%	0.83	S	S	*	*				-173.5	140.1	124.4	-133.9	176.6	179.3	-179.5	0	110.9
213	G	22.9	Very low	27.5	Very low	69 Å²	69	160.9 Å²	160.9	71%	0.711	83%	0.83	S	S	*	*			trans	143.1	96.1	170.2	0	0	0	0	0	114.7
214	N	25.3	Very low	26.9	Very low	169 Å²	169	160.1 Å²	160.1	90%	0.904	83%	0.827	S	S	*	*			trans	-97.6	164.5	150.7	-73.6	6.6	0	0	0	106.3
215	S	25.9	Very low	26.6	Very low	98 Å²	98	156.2 Å²	156.2	69%	0.685	82%	0.816	S	S	*	*			cis	-168.2	152	35.7	55.2	0	0	0	0	114.9
216	R	23.4	Very low	26.2	Very low	235 Å²	235	156 Å²	156	89%	0.887	82%	0.815	S	S	*	*			trans	67.7	159.2	147	-77	-179	-179.9	-169	-0.5	119.2
217	P	35.6	Very low	25.9	Very low	92 Å²	92	155.2 Å²	155.2	60%	0.597	81%	0.805	S	S	*	*			cis	-136.9	179.9	-30.8	38.2	-20.9	0	0	0	115
218	E	22.9	Very low	25.8	Very low	174 Å²	174	157.3 Å²	157.3	81%	0.813	80%	0.798	S	S	*	*			trans	51.7	119.6	145.5	-75.3	147.6	-123	0	0	122.4
219	T	23.6	Very low	25.6	Very low	148 Å²	148	155.3 Å²	155.3	91%	0.908	79%	0.789	S	S	*	*				-156.4	137	111.9	-0.6	0	0	0	0	109.6
220	E	25.1	Very low	25	Very low	188 Å²	188	154.2 Å²	154.2	88%	0.879	78%	0.784	S	S	*	*			trans	-115.6	137.5	167.2	-75.1	-162.3	144.1	0	0	109.2
221	D	23.4	Very low	24.9	Very low	166 Å²	166	154.7 Å²	154.7	89%	0.888	78%	0.779	S	S	*	*			trans	179.7	143.2	144.3	-103.1	-29.9	0	0	0	107.8
222	S	24.1	Very low	24.7	Very low	110 Å²	110	154 Å²	154	77%	0.769	78%	0.779	S	S	*	*			cis	-150.4	-169.4	-5.3	60.3	0	0	0	0	109.9
223	R	25.2	Very low	24.4	Very low	220 Å²	220	150 Å²	150	83%	0.83	76%	0.763	S	S	*	*			trans	-131.9	-171.5	-173.4	-138.5	-171.5	-159.1	-171.7	8.5	111.9
224	F	24	Very low	24.5	Very low	186 Å²	186	156.3 Å²	156.3	82%	0.816	77%	0.766	S	S	*	*			trans	80	155.3	174.7	-56	-75.1	0	0	0	116.6
225	D	23.1	Very low	24.2	Very low	130 Å²	130	154.7 Å²	154.7	70%	0.695	76%	0.762	S	S	*	*			cis	-166.4	163.7	-44.6	-138.1	-44.7	0	0	0	110.7
226	S	26.2	Very low	24.1	Very low	101 Å²	101	155.7 Å²	155.7	71%	0.706	76%	0.763	S	S	*	*			trans	63.3	172.2	164.7	79.2	0	0	0	0	116.7
227	K	23.3	Very low	23.9	Very low	149 Å²	149	149.5 Å²	149.5	65%	0.648	76%	0.756	S	S	*	*			cis	-153.5	160.8	6.8	-148.3	172.7	-167	-74.9	0	111
228	E	22.1	Very low	23.2	Very low	137 Å²	137	151.1 Å²	151.1	64%	0.64	77%	0.768	S	S	*	*			trans	22.6	141.3	153.9	-74.5	144.9	-144.2	0	0	122.5
229	E	23.5	Very low	23.3	Very low	150 Å²	150	147.4 Å²	147.4	70%	0.701	76%	0.762	S	S	*	*				63.6	135.7	70.2	-123.2	-174.4	-167.5	0	0	112.3
230	L	21.3	Very low	23.3	Very low	138 Å²	138	148.8 Å²	148.8	72%	0.723	76%	0.758	S	S	*	*			cis	-136.8	167.3	21.5	-71.3	146.1	0	0	0	109.4
231	K	27.1	Very low	23.7	Very low	165 Å²	165	147.6 Å²	147.6	72%	0.717	76%	0.756	S	S	*	*			cis	92.4	93.5	24	-148.5	-171	-169.7	-177.3	0	115.7
232	E	23.1	Very low	24	Very low	189 Å²	189	145 Å²	145	88%	0.883	75%	0.748	S	S	*	*			trans	-147.5	137	156.7	-90.5	-173.9	150.4	0	0	105.6
233	E	22.1	Very low	23.8	Very low	135 Å²	135	145.9 Å²	145.9	63%	0.631	75%	0.749	S	S	*	*			cis	67.9	140	30.1	-68.2	-161.5	-169.1	0	0	114.4
234	R	23.6	Very low	23.6	Very low	203 Å²	203	142.5 Å²	142.5	77%	0.766	74%	0.744	S	S	*	*			cis	-154.7	-153.8	14.8	-150	178.6	-100.6	-166.1	-8.9	111.9
235	V	20.8	Very low	23.4	Very low	134 Å²	134	141.8 Å²	141.8	81%	0.812	74%	0.743	S	S	*	*			trans	98.7	125.5	158.5	-175	0	0	0	0	116.4
236	V	22	Very low	23.7	Very low	119 Å²	119	140.6 Å²	140.6	72%	0.721	75%	0.745	S	S	*	*			cis	-165.5	170	-28.1	115	0	0	0	0	111.1
237	S	19.4	Very low	23.8	Very low	105 Å²	105	141.6 Å²	141.6	73%	0.734	75%	0.749	S	S	*	*			trans	96.8	113.3	173.6	-59.6	0	0	0	0	114.7
238	C	21.5	Very low	23.9	Very low	126 Å²	126	142.4 Å²	142.4	85%	0.851	76%	0.755	S	S	*	*			cis	64	141.1	40.8	-84.2	0	0	0	0	114.9
239	S	25	Very low	24	Very low	97 Å²	97	142.6 Å²	142.6	68%	0.678	77%	0.765	S	S	*	*			cis	-145.4	136.9	20.2	52.5	0	0	0	0	116.9
240	Q	22.7	Very low	23.9	Very low	176 Å²	176	142.5 Å²	142.5	82%	0.822	77%	0.77	S	S	*	*			trans	66.6	150.2	130.5	-65.1	175.1	-12.5	0	0	124.2
241	I	34.2	Very low	24.1	Very low	164 Å²	164	139.2 Å²	139.2	84%	0.841	77%	0.769	S	S	*	*			trans	-134.2	138.7	168.5	-44	171.5	0	0	0	108.2
242	P	29.9	Very low	23.9	Very low	112 Å²	112	140.3 Å²	140.3	73%	0.727	78%	0.776	S	S	*	*			trans	-134.6	176.1	144.9	38.4	-25.8	0	0	0	110.8
243	V	20.9	Very low	24.1	Very low	128 Å²	128	138.7 Å²	138.7	78%	0.776	77%	0.772	S	S	*	*			cis	-158.1	129.9	-24.6	133.9	0	0	0	0	103.7
244	M	20.1	Very low	24.1	Very low	149 Å²	149	138.7 Å²	138.7	73%	0.734	78%	0.777	S	S	*	*				63.3	147.4	80.8	-121.2	-163	81.3	0	0	117.6
245	E	18.6	Very low	24.3	Very low	170 Å²	170	136.4 Å²	136.4	79%	0.794	78%	0.779	S	S	*	*			trans	76.3	168.5	167.6	-123.3	137.4	-123.9	0	0	120.4
246	S	29.6	Very low	24.6	Very low	105 Å²	105	137.3 Å²	137.3	73%	0.734	78%	0.778	S	S	*	*			trans	-124.6	179.2	-158.8	60.8	0	0	0	0	113.1
247	P	28.3	Very low	24.8	Very low	122 Å²	122	135.9 Å²	135.9	79%	0.792	78%	0.779	S	S	*	*				-152.7	-163.2	94	42	-22.5	0	0	0	115.8
248	Q	25.3	Very low	25.3	Very low	166 Å²	166	136.8 Å²	136.8	78%	0.776	79%	0.785	S	S	*	*			trans	-71.2	162.8	-176.5	-55	160.9	-17.7	0	0	115.3
249	V	24	Very low	25.4	Very low	141 Å²	141	134.3 Å²	134.3	86%	0.855	78%	0.781	S	S	*	*			trans	-140.2	134	137.4	176.1	0	0	0	0	108.9
250	N	22.8	Very low	25.4	Very low	149 Å²	149	134.9 Å²	134.9	80%	0.797	79%	0.785	S	S	*	*			trans	-100.6	155.4	165.6	-71.7	-22.9	0	0	0	109.6
251	G	25.4	Very low	25.5	Very low	68 Å²	68	132.7 Å²	132.7	70%	0.701	78%	0.783	S	S	*	*			trans	142	101.3	176.6	0	0	0	0	0	110.1
252	E	23.2	Very low	25	Very low	188 Å²	188	128.8 Å²	128.8	88%	0.879	78%	0.775	S	S	*	*			cis	90.1	154.8	48.4	-166	174.9	-154.9	0	0	112.7
253	I	26.1	Very low	24.7	Very low	155 Å²	155	132.6 Å²	132.6	80%	0.795	78%	0.784	S	S	*	*			trans	94.1	127	172.5	-48.4	170.8	0	0	0	115.8
254	D	23.3	Very low	25	Very low	135 Å²	135	131.9 Å²	131.9	72%	0.722	78%	0.784	S	S	*	*			trans	-73	169	-179.6	-55.3	-92.1	0	0	0	114.9
255	L	28.2	Very low	25.2	Very low	155 Å²	155	133.1 Å²	133.1	81%	0.812	79%	0.788	S	S	*	*				-179.3	112.6	102.6	-92	171.6	0	0	0	114.4
256	L	26.2	Very low	25.3	Very low	154 Å²	154	130.2 Å²	130.2	81%	0.806	79%	0.785	S	S	*	*			trans	23.2	162.6	133.2	-60.3	177	0	0	0	124.1
257	A	26.8	Very low	25	Very low	89 Å²	89	131 Å²	131	74%	0.736	79%	0.791	S	S	*	*			trans	80.8	122.6	169.8	0	0	0	0	0	115.8
258	S	28.4	Very low	24.9	Very low	124 Å²	124	129.3 Å²	129.3	87%	0.867	80%	0.796	S	S	*	*			cis	84.3	120.3	16.1	-44.4	0	0	0	0	117
259	G	23.8	Very low	24.8	Very low	73 Å²	73	132.3 Å²	132.3	75%	0.753	80%	0.8	S	S	*	*			trans	97.1	159.9	169.1	0	0	0	0	0	115.1
260	S	26.1	Very low	24.8	Very low	109 Å²	109	133.1 Å²	133.1	76%	0.762	80%	0.798	S	S	*	*			cis	-178.1	175.1	-14.9	40.2	0	0	0	0	109.3
261	V	24.6	Very low	24.9	Very low	131 Å²	131	131.8 Å²	131.8	79%	0.794	80%	0.796	S	S	*	*			trans	71.3	122.9	168.5	-165.6	0	0	0	0	113.8
262	A	23.9	Very low	24.8	Very low	81 Å²	81	136.3 Å²	136.3	67%	0.669	80%	0.799	S	S	*	*			cis	99.1	112.8	22.6	0	0	0	0	0	115.8
263	E	24.3	Very low	24.8	Very low	193 Å²	193	134 Å²	134	90%	0.902	80%	0.798	S	S	*	*			trans	65.9	-179.6	142	-60.6	-166.7	162.9	0	0	121.1
264	S	26.3	Very low	24.6	Very low	113 Å²	113	131.9 Å²	131.9	79%	0.79	80%	0.796	S	S	*	*			trans	72.4	143.7	-171.9	-161.1	0	0	0	0	117.1
265	E	23.4	Very low	25	Very low	175 Å²	175	133.4 Å²	133.4	82%	0.818	80%	0.803	S	S	*	*				-162.9	161.7	-55	-119.9	-172.9	141.9	0	0	110.8
266	C	21.5	Very low	25.3	Very low	108 Å²	108	131.4 Å²	131.4	73%	0.73	80%	0.8	S	S	*	*			trans	-0.8	126	155.2	-164	0	0	0	0	120.5
267	S	23.1	Very low	25.2	Very low	122 Å²	122	131.8 Å²	131.8	85%	0.853	80%	0.802	S	S	*	*				-178.8	143.2	113.5	-82.4	0	0	0	0	113.4
268	G	26.6	Very low	25.1	Very low	87 Å²	87	131.8 Å²	131.8	90%	0.897	80%	0.802	S	S	*	*			trans	151.7	59.2	176.6	0	0	0	0	0	115.2
269	R	23.2	Very low	25	Very low	229 Å²	229	135.2 Å²	135.2	86%	0.864	80%	0.804	S	S	*	*			trans	-107.6	157.2	174.7	-169.7	179.3	-177.5	-156.1	-1.3	110
270	L	24.6	Very low	25.1	Very low	157 Å²	157	140.1 Å²	140.1	82%	0.822	81%	0.807	S	S	*	*			trans	129.1	131.7	169.6	-76.1	172.3	0	0	0	109.5
271	T	23.4	Very low	25.2	Very low	121 Å²	121	142.3 Å²	142.3	74%	0.742	81%	0.809	S	S	*	*			cis	-150	172.1	-5.2	-26.4	0	0	0	0	110.2
272	E	23.9	Very low	25.1	Very low	164 Å²	164	142.2 Å²	142.2	77%	0.766	81%	0.808	S	S	*	*			trans	-77	165.6	172.1	-60.8	153.9	117.6	0	0	112.7
273	V	22.6	Very low	25.4	Very low	140 Å²	140	143.5 Å²	143.5	85%	0.848	81%	0.812	S	S	*	*				175.7	147.3	117.8	153	0	0	0	0	113.2
274	S	23.2	Very low	26.3	Very low	110 Å²	110	140.5 Å²	140.5	77%	0.769	81%	0.809	S	S	*	*			trans	-45.1	164.3	-173.8	-44.7	0	0	0	0	123.1
275	L	30.1	Very low	26.3	Very low	166 Å²	166	138.2 Å²	138.2	87%	0.869	80%	0.804	S	S	*	*			trans	-69.6	165.1	154.8	-59	165.9	0	0	0	111.7
276	P	34.2	Very low	26.5	Very low	113 Å²	113	136.3 Å²	136.3	73%	0.734	80%	0.804	S	S	*	*				-154.4	176.9	99.1	39.8	-21.5	0	0	0	117
277	L	24.8	Very low	26.7	Very low	162 Å²	162	137.6 Å²	137.6	85%	0.848	81%	0.809	S	S	*	*			trans	36.9	131.1	152.4	-84.3	43.4	0	0	0	120.7
278	A	25.8	Very low	26.7	Very low	90 Å²	90	136.9 Å²	136.9	74%	0.744	80%	0.804	S	S	*	*			cis	90.9	131.1	33.4	0	0	0	0	0	115.8
279	E	26.2	Very low	26.7	Very low	196 Å²	196	140.8 Å²	140.8	92%	0.916	80%	0.796	S	S	*	*			trans	-164.3	172.4	153.4	-122.4	171.2	-156.6	0	0	113.7
280	H	25.9	Very low	26.8	Very low	176 Å²	176	134.6 Å²	134.6	82%	0.815	79%	0.788	S	S	*	*			trans	-109.3	172	-172.3	-76.6	-135	0	0	0	112.7
281	I	26.5	Very low	26.9	Very low	155 Å²	155	133 Å²	133	80%	0.795	78%	0.776	S	S	*	*			trans	179.3	107.6	133.2	-93.8	155.7	0	0	0	111
282	V	23.9	Very low	27	Very low	129 Å²	129	134.8 Å²	134.8	78%	0.782	78%	0.776	S	S	*	*				81.9	142	112.3	179.3	0	0	0	0	117.6
283	S	30.4	Very low	27	Very low	108 Å²	108	132.5 Å²	132.5	76%	0.755	77%	0.774	S	S	*	*			trans	-131.5	167.4	174	-45.2	0	0	0	0	109.7
284	P	41.8	Very low	27.8	Very low	129 Å²	129	131.5 Å²	131.5	84%	0.838	77%	0.77	S	S	*	*				-155.7	157.8	116.9	37.4	-20.1	0	0	0	118.4
285	G	27.6	Very low	27.9	Very low	66 Å²	66	132.4 Å²	132.4	68%	0.68	76%	0.762	S	S	*	*			trans	87.9	149.8	141.1	0	0	0	0	0	119.7
286	T	27.7	Very low	27.8	Very low	134 Å²	134	132 Å²	132	82%	0.822	75%	0.753	S	S	*	*			cis	-167.8	151.8	-4.4	-6.9	0	0	0	0	112.7
287	V	24.4	Very low	27.3	Very low	136 Å²	136	135.1 Å²	135.1	82%	0.824	76%	0.755	S	S	*	*			trans	71.6	138.2	156.1	176.9	0	0	0	0	116.8
288	S	24.7	Very low	27.3	Very low	107 Å²	107	134.1 Å²	134.1	75%	0.748	76%	0.755	S	S	*	*			cis	-149.2	157.9	6.6	39.6	0	0	0	0	115.3
289	K	26.6	Very low	27.1	Very low	168 Å²	168	134.8 Å²	134.8	73%	0.73	75%	0.754	S	S	*	*			trans	-12.8	161.8	157.8	-67.4	-167.3	170.8	-154.1	0	120.8	E291	K289-E291 WeakPolarHBondContact CD-OE1 3.38Å; K289-E291 WeakPolarHBondContact CE-OE1 3.41Å; K289-E291 IonicContact NZ-OE1 2.63Å; K289-E291 PolarHBondContact NZ-OE1 3Å; K289-E291 IonicContact NZ-OE2 3.89Å
290	S	25.1	Very low	27.1	Very low	100 Å²	100	131.2 Å²	131.2	70%	0.699	75%	0.745	S	S	*	*			cis	-149.1	137.6	32	54.9	0	0	0	0	113.5
291	E	25.8	Very low	27.1	Very low	124 Å²	124	130.7 Å²	130.7	58%	0.579	74%	0.74	S	S	*	*				66.4	135.2	88.1	-57.7	171.6	172.7	0	0	115.3	K289	K289-E291 WeakPolarHBondContact CD-OE1 3.38Å; K289-E291 WeakPolarHBondContact CE-OE1 3.41Å; K289-E291 IonicContact NZ-OE1 2.63Å; K289-E291 PolarHBondContact NZ-OE1 3Å; K289-E291 IonicContact NZ-OE2 3.89Å
292	E	25.5	Very low	27	Very low	157 Å²	157	128.5 Å²	128.5	73%	0.734	73%	0.73	S	S	*	*			cis	-164	135.1	-3.8	-117.2	-172.9	175.7	0	0	115.4
293	T	24.1	Very low	27.1	Very low	117 Å²	117	128.6 Å²	128.6	72%	0.718	73%	0.725	S	S	*	*			trans	60.5	165.5	140.7	65	0	0	0	0	122.4
294	P	38.7	Very low	26.9	Very low	118 Å²	118	130.4 Å²	130.4	77%	0.766	73%	0.726	S	S	*	*			cis	-118.6	-153	-2.8	37.4	-17.3	0	0	0	111.8
295	E	25.7	Very low	26.1	Very low	129 Å²	129	128.8 Å²	128.8	60%	0.603	72%	0.718	S	S	*	*			cis	-149.6	-112.6	4.8	-144.4	-95.5	159.7	0	0	112.9
296	K	28.9	Very low	26.1	Very low	159 Å²	159	133.2 Å²	133.2	69%	0.691	73%	0.731	S	S	*	*			trans	-144.2	160.5	-169.4	-50.7	166.9	-169.7	128.6	0	109.9
297	K	24	Very low	25.9	Very low	178 Å²	178	130.1 Å²	130.1	77%	0.774	73%	0.726	S	S	*	*				-164.9	140	50.5	-82.1	-172.6	179	174.3	0	115.2
298	V	23.3	Very low	26	Very low	140 Å²	140	134.9 Å²	134.9	85%	0.848	73%	0.729	S	S	*	*				71.2	134.7	128.1	-179.8	0	0	0	0	121.7
299	C	22.2	Very low	26	Very low	105 Å²	105	135.7 Å²	135.7	71%	0.709	73%	0.725	S	S	*	*			trans	-106.9	172.6	174.1	-148	0	0	0	0	109.7
300	V	25.8	Very low	25.9	Very low	120 Å²	120	134.9 Å²	134.9	73%	0.727	72%	0.724	S	S	*	*			cis	-124.2	-111.8	10.3	-160.2	0	0	0	0	111.4
301	K	26.9	Very low	25.9	Very low	166 Å²	166	135.8 Å²	135.8	72%	0.722	72%	0.721	S	S	*	*			cis	-161.5	126.8	-2.6	-166.3	143.2	-173.7	176.3	0	114.2
302	D	24.3	Very low	25.9	Very low	109 Å²	109	138.7 Å²	138.7	58%	0.583	73%	0.734	S	S	*	*			trans	57.1	154.8	143.5	-66.5	9.8	0	0	0	121.9
303	L	26.5	Very low	25.9	Very low	130 Å²	130	139 Å²	139	68%	0.681	73%	0.733	S	S	*	*			cis	-163.4	154.9	-4.4	-111.5	164.8	0	0	0	110.9
304	L	24.8	Very low	25.9	Very low	146 Å²	146	143.4 Å²	143.4	76%	0.764	74%	0.738	S	S	*	*			trans	54.9	136.2	156.1	-51.5	171	0	0	0	120.3
305	S	26.1	Very low	25.2	Very low	96 Å²	96	143.4 Å²	143.4	67%	0.671	74%	0.739	S	S	*	*			cis	110.9	94.2	8.3	80.2	0	0	0	0	117.1
306	V	26.3	Very low	25.4	Very low	159 Å²	159	142.2 Å²	142.2	96%	0.964	75%	0.745	S	S	*	*			trans	-153.8	138.5	154.7	-173.5	0	0	0	0	106.6
307	G	25.4	Very low	25.3	Very low	69 Å²	69	146.2 Å²	146.2	71%	0.711	76%	0.756	S	S	*	*			cis	-176.2	-178.3	-4.8	0	0	0	0	0	113.1
308	R	24.9	Very low	25.7	Very low	236 Å²	236	142.4 Å²	142.4	89%	0.891	75%	0.749	S	S	*	*			trans	-43.8	164.2	169.1	-71.1	-177.5	175.1	170.2	-3.8	115.2
309	N	24.9	Very low	25.8	Very low	123 Å²	123	141.8 Å²	141.8	66%	0.658	75%	0.748	S	S	*	*			cis	-157.6	140.7	2.8	-115.5	20.5	0	0	0	108.3
310	E	25.7	Very low	26	Very low	152 Å²	152	143.7 Å²	143.7	71%	0.71	75%	0.751	S	S	*	*				63.6	124.6	97.7	-79.8	-156.8	-172.2	0	0	121.1
311	N	25	Very low	26.2	Very low	119 Å²	119	143.7 Å²	143.7	64%	0.636	75%	0.754	S	S	*	*			trans	67.5	124.4	135.3	-72.4	-44.1	0	0	0	123.8
312	H	26.2	Very low	26.1	Very low	184 Å²	184	142.9 Å²	142.9	85%	0.852	76%	0.763	S	S	*	*				-179.3	119.4	125.6	-96.1	-76.5	0	0	0	107.6
313	K	24.3	Very low	26.2	Very low	165 Å²	165	142.4 Å²	142.4	72%	0.717	77%	0.768	S	S	*	*			cis	79.5	104.8	49.6	-87	-162.9	174.2	179.6	0	116.7
314	Y	25.3	Very low	26.3	Very low	209 Å²	209	146 Å²	146	82%	0.82	78%	0.778	S	S	*	*			trans	63.3	157.8	156.3	-71.2	-94.8	0	0	0	117
315	C	23.7	Very low	26.3	Very low	117 Å²	117	146 Å²	146	79%	0.791	78%	0.779	S	S	*	*			cis	-148.7	161.9	19.9	-160.1	0	0	0	0	113.9
316	S	29.8	Very low	26.6	Very low	104 Å²	104	147.6 Å²	147.6	73%	0.727	79%	0.789	S	S	*	*			trans	-93.3	156.9	174.3	-37.1	0	0	0	0	112.7
317	R	25.3	Very low	26.8	Very low	244 Å²	244	147 Å²	147	92%	0.921	78%	0.776	S	S	*	*			trans	-164.8	151.4	136.6	-110.7	-175.6	179.2	-165.9	-2.4	113.4
318	P	32.3	Very low	27.1	Very low	97 Å²	97	153.7 Å²	153.7	63%	0.63	78%	0.779	S	S	*	*			trans	-104	-179.1	177.4	41.7	-34	0	0	0	112.6
319	P	26.4	Very low	27.1	Very low	127 Å²	127	147.7 Å²	147.7	83%	0.825	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-92.8	134.8	156.3	19.9	-3.6	0	0	0	111.9
320	D	25.8	Very low	27.5	Very low	145 Å²	145	149.1 Å²	149.1	78%	0.775	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-78.9	155.3	-179.1	-76.9	-62.4	0	0	0	114.6
321	P	30.1	Very low	27.9	Very low	120 Å²	120	147.2 Å²	147.2	78%	0.779	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-81.1	133.6	173.1	32.9	-33.7	0	0	0	112.4	S323	P321-S323 PolarHBondContact O-N 3.26Å
322	T	25.6	Very low	28	Very low	149 Å²	149	146.2 Å²	146.2	91%	0.914	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-81.5	117.1	173.7	43	0	0	0	0	111.9
323	S	26.4	Very low	28	Very low	100 Å²	100	144 Å²	144	70%	0.699	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-84.4	152.1	174.9	60.8	0	0	0	0	112.2	P321	P321-S323 PolarHBondContact O-N 3.26Å
324	K	27.9	Very low	28	Very low	205 Å²	205	141 Å²	141	89%	0.891	78%	0.782	S	S	*	*			trans	-144.8	91.3	156.4	-74.2	-155	175	-172.4	0	113.1
325	N	26.2	Very low	28	Very low	145 Å²	145	140.5 Å²	140.5	78%	0.775	78%	0.779	S	S	*	*			trans	57	125.3	138	-56.1	15.1	0	0	0	121.6
326	C	32.3	Very low	28.1	Very low	131 Å²	131	140.1 Å²	140.1	89%	0.885	77%	0.769	S	S	*	*			trans	-108.4	143.7	143.7	-65.6	0	0	0	0	109.2
327	E	29.3	Very low	28	Very low	146 Å²	146	141 Å²	141	68%	0.682	77%	0.77	S	S	*	*			trans	-159.2	150.4	160.3	-76.3	-146	139.1	0	0	106.8
328	R	31.2	Very low	27.9	Very low	209 Å²	209	137 Å²	137	79%	0.789	77%	0.765	S	S	*	*			cis	-150.5	175.1	-9.9	-109.5	179.3	-156	-159.4	12	105.5
329	S	25.4	Very low	27.7	Very low	111 Å²	111	141.2 Å²	141.2	78%	0.776	77%	0.773	S	S	*	*			cis	-156.5	168.5	32.7	41.7	0	0	0	0	112.8
330	I	33	Very low	28	Very low	152 Å²	152	140.5 Å²	140.5	78%	0.779	77%	0.769	S	S	*	*			trans	-120.4	167.2	171.1	-19.1	176.9	0	0	0	108.3
331	P	35.4	Very low	27.9	Very low	113 Å²	113	139.3 Å²	139.3	73%	0.734	77%	0.767	S	S	*	*				-137.9	158.8	81.9	28.4	-6.9	0	0	0	112.6
332	S	26.8	Very low	27.6	Very low	97 Å²	97	139.2 Å²	139.2	68%	0.678	76%	0.764	S	S	*	*			cis	66.2	134.8	44.2	72.9	0	0	0	0	114.8
333	T	26	Very low	27.5	Very low	139 Å²	139	140.1 Å²	140.1	85%	0.853	76%	0.762	S	S	*	*			cis	-131.9	-144.7	-1.4	-24.3	0	0	0	0	108.6
334	S	23.6	Very low	27.4	Very low	101 Å²	101	138.8 Å²	138.8	71%	0.706	76%	0.757	S	S	*	*			cis	-143.8	-170.9	5.3	60.5	0	0	0	0	108.1
335	R	26.3	Very low	27.3	Very low	199 Å²	199	137.5 Å²	137.5	75%	0.751	75%	0.754	S	S	*	*			cis	74.2	137.8	15.9	-68.5	-170.5	172.5	-90.3	-0.5	116.9
336	D	25.2	Very low	27.5	Very low	109 Å²	109	137.3 Å²	137.3	58%	0.583	75%	0.753	S	S	*	*			cis	-155.2	157.9	-2.5	-115.8	-25.9	0	0	0	113.6
337	V	26.6	Very low	27.4	Very low	121 Å²	121	137.7 Å²	137.7	73%	0.733	75%	0.745	S	S	*	*			trans	47.1	129	144.1	176.6	0	0	0	0	122
338	I	24.7	Very low	27.2	Very low	160 Å²	160	137.6 Å²	137.6	82%	0.821	75%	0.749	S	S	*	*				-163.1	141.3	121.2	-96.5	153.9	0	0	0	111.2
339	K	27.3	Very low	26.9	Very low	187 Å²	187	134.6 Å²	134.6	81%	0.813	75%	0.747	S	S	*	*			trans	-138.7	143.7	161.2	-93	-169.6	175.2	-175.1	0	106.7
340	P	32.5	Very low	26.9	Very low	112 Å²	112	135.1 Å²	135.1	73%	0.727	75%	0.746	S	S	*	*				-125.5	154.3	89.8	3.5	19.3	0	0	0	112.1
341	T	23.3	Very low	26.6	Very low	119 Å²	119	135.2 Å²	135.2	73%	0.73	75%	0.748	S	S	*	*				79.3	124.3	53.9	-45.1	0	0	0	0	113.7
342	V	24.3	Very low	26	Very low	118 Å²	118	136.4 Å²	136.4	72%	0.715	76%	0.757	S	S	*	*			trans	154.9	130.4	132.2	163.2	0	0	0	0	112.3
343	L	23.6	Very low	25.9	Very low	168 Å²	168	136.9 Å²	136.9	88%	0.88	76%	0.761	S	S	*	*			trans	58.6	164.4	167.8	-65.3	164.7	0	0	0	119.2
344	A	25.2	Very low	25.9	Very low	73 Å²	73	135.3 Å²	135.3	60%	0.603	76%	0.755	S	S	*	*			cis	-170.7	174.3	-42.9	0	0	0	0	0	111.1
345	E	26.1	Very low	26.1	Very low	177 Å²	177	138.6 Å²	138.6	83%	0.827	76%	0.764	S	S	*	*			trans	73.4	130.3	168.6	-55.9	-172.4	154.2	0	0	115.6
346	N	30.4	Very low	26.6	Very low	141 Å²	141	134.4 Å²	134.4	75%	0.754	76%	0.763	S	S	*	*				73.9	134	50.3	-62.5	-23.5	0	0	0	112
347	I	30.4	Very low	26.7	Very low	140 Å²	140	134.4 Å²	134.4	72%	0.718	77%	0.771	S	S	*	*			cis	-155.2	152.5	11	-127	160.1	0	0	0	111.7
348	L	24.7	Very low	26.7	Very low	143 Å²	143	136 Å²	136	75%	0.749	78%	0.775	S	S	*	*			trans	9.5	162.1	142.1	-53.1	178.1	0	0	0	121.2
349	L	24.7	Very low	26.7	Very low	146 Å²	146	137.8 Å²	137.8	76%	0.764	78%	0.78	S	S	*	*			cis	-172.1	177.9	16.8	-133.8	168.2	0	0	0	112.4
350	V	25.3	Very low	26.8	Very low	123 Å²	123	136.3 Å²	136.3	75%	0.745	78%	0.781	S	S	*	*			trans	84.7	128	156.5	173.4	0	0	0	0	121
351	D	25.6	Very low	26.5	Very low	154 Å²	154	138.5 Å²	138.5	82%	0.824	78%	0.781	S	S	*	*			trans	-84.3	163.6	166.6	-55.6	-88	0	0	0	114.4
352	C	22.7	Very low	26.6	Very low	138 Å²	138	139.2 Å²	139.2	93%	0.932	79%	0.785	S	S	*	*			trans	-154.8	163.9	146.4	-123.3	0	0	0	0	112.8
353	S	25.6	Very low	26.5	Very low	107 Å²	107	139.5 Å²	139.5	75%	0.748	78%	0.783	S	S	*	*			trans	-137.6	165.8	-162.7	61	0	0	0	0	115.7
354	S	25.3	Very low	26.6	Very low	106 Å²	106	137.6 Å²	137.6	74%	0.741	78%	0.778	S	S	*	*			trans	81.3	120.8	164.3	72	0	0	0	0	121.4
355	L	28.8	Very low	26.6	Very low	169 Å²	169	138.8 Å²	138.8	89%	0.885	78%	0.778	S	S	*	*				33.9	163.6	120.7	-66.1	169.4	0	0	0	121.2
356	P	37.3	Very low	26.5	Very low	111 Å²	111	137.7 Å²	137.7	72%	0.721	78%	0.777	S	S	*	*			cis	-144.3	-168.4	15.9	36.7	-12.7	0	0	0	118
357	S	26	Very low	26.1	Very low	110 Å²	110	140.9 Å²	140.9	77%	0.769	78%	0.778	S	S	*	*			trans	113.8	145.9	136.8	-70.2	0	0	0	0	123
358	D	27.7	Very low	25.9	Very low	153 Å²	153	144.3 Å²	144.3	82%	0.818	78%	0.782	S	S	*	*			trans	-104.5	177.9	-169.6	-48.1	-90.2	0	0	0	116.1
359	Q	24.9	Very low	25.9	Very low	198 Å²	198	146.8 Å²	146.8	93%	0.925	79%	0.787	S	S	*	*			trans	-151.8	169.6	146.8	-114.4	175.4	50.9	0	0	113.4
360	L	28.2	Very low	26	Very low	156 Å²	156	144.6 Å²	144.6	82%	0.817	78%	0.784	S	S	*	*			trans	-129.1	173.9	-155.1	-63.5	177.3	0	0	0	113.3
361	Q	26.6	Very low	26.1	Very low	158 Å²	158	145 Å²	145	74%	0.738	78%	0.782	S	S	*	*			cis	-132.7	-124.6	12	-156.3	-170.7	87.9	0	0	112.8
362	V	24.5	Very low	26.3	Very low	134 Å²	134	144.9 Å²	144.9	81%	0.812	78%	0.78	S	S	*	*			cis	-147.3	169.7	11.2	-170.3	0	0	0	0	108.8
363	D	23.6	Very low	26.6	Very low	125 Å²	125	142.8 Å²	142.8	67%	0.668	77%	0.766	S	S	*	*			trans	-118.5	168.1	-171.5	-172.3	23	0	0	0	115.3
364	V	25.4	Very low	26.6	Very low	127 Å²	127	143.9 Å²	143.9	77%	0.77	76%	0.764	S	S	*	*			trans	171.8	98.3	139.2	155.2	0	0	0	0	114.4
365	T	24	Very low	26.9	Very low	98 Å²	98	145.8 Å²	145.8	60%	0.601	77%	0.765	S	S	*	*			trans	39.1	115.3	142.3	67.6	0	0	0	0	126.2
366	L	24.6	Very low	27	Very low	155 Å²	155	142 Å²	142	81%	0.812	75%	0.754	S	S	*	*				59.7	139.4	114.5	-67.4	169.6	0	0	0	126.6
367	R	23.2	Very low	26.5	Very low	207 Å²	207	144.4 Å²	144.4	78%	0.781	76%	0.759	S	S	*	*			trans	95	104.7	135.7	-86.7	179.9	177.7	-171.6	4.1	124.2
368	R	25.9	Very low	26.5	Very low	213 Å²	213	143.5 Å²	143.5	80%	0.804	75%	0.753	S	S	*	*				75.7	139.2	108.5	-137.1	-176.5	-167.6	176.2	4.5	122.9
369	K	23.8	Very low	26.5	Very low	195 Å²	195	144.3 Å²	144.3	85%	0.848	76%	0.756	S	S	*	*			trans	102.3	171.2	157	-70.8	-166.5	170.5	-174	0	118.9
370	S	28.1	Very low	26.7	Very low	100 Å²	100	140 Å²	140	70%	0.699	75%	0.748	S	S	*	*			trans	-157.2	-179.3	-147	58.6	0	0	0	0	113.4
371	N	27.2	Very low	27.3	Very low	132 Å²	132	139 Å²	139	71%	0.706	75%	0.751	S	S	*	*			trans	107.5	121.7	165.1	-58.2	8.6	0	0	0	114.3
372	I	29.6	Very low	27.1	Very low	151 Å²	151	134.9 Å²	134.9	77%	0.774	75%	0.751	S	S	*	*				83.7	133	86.2	-72.1	166.3	0	0	0	112.8
373	S	28.5	Very low	27.2	Very low	93 Å²	93	135.3 Å²	135.3	65%	0.65	75%	0.754	S	S	*	*			cis	-161.4	-140.6	-6.4	52.3	0	0	0	0	112.8
374	D	24.8	Very low	28.6	Very low	130 Å²	130	134.5 Å²	134.5	70%	0.695	76%	0.756	S	S	*	*			trans	83.3	125.8	162.8	-57.2	-3	0	0	0	117.5
375	N	31.5	Very low	29.1	Very low	146 Å²	146	134.3 Å²	134.3	78%	0.781	76%	0.757	S	S	*	*			cis	105	138.3	33.9	-84.1	-34.3	0	0	0	111.2
376	S	31	Very low	29.9	Very low	91 Å²	91	134.8 Å²	134.8	64%	0.636	76%	0.762	S	S	*	*			cis	-169.8	-167.9	-9	57.8	0	0	0	0	111.2
377	L	28.4	Very low	30	Very low	161 Å²	161	134.5 Å²	134.5	84%	0.843	76%	0.76	S	S	*	*			trans	85.8	145.7	168	-50.1	-178.8	0	0	0	118.9
378	S	26.2	Very low	30.1	Very low	91 Å²	91	130.8 Å²	130.8	64%	0.636	76%	0.756	S	S	*	*			cis	-167.6	153.2	-22.8	57.2	0	0	0	0	114.8
379	L	26.2	Very low	30.2	Very low	169 Å²	169	126.4 Å²	126.4	89%	0.885	75%	0.748	S	S	*	*			trans	71.2	146.4	149.6	-70	161.6	0	0	0	123.9
380	S	29.3	Very low	30.4	Very low	107 Å²	107	124 Å²	124	75%	0.748	75%	0.745	S	S	*	*			trans	-119.9	166.2	165.2	-40.2	0	0	0	0	109
381	P	40.8	Very low	30.4	Very low	136 Å²	136	124.9 Å²	124.9	88%	0.883	75%	0.75	S	S	*	*				-158.5	-175.9	84.4	42	-21.8	0	0	0	116.3
382	G	23.2	Very low	30.5	Very low	72 Å²	72	124.8 Å²	124.8	74%	0.742	76%	0.755	S	S	*	*			trans	142.6	150	159.8	0	0	0	0	0	117
383	T	25.4	Very low	31	Very low	142 Å²	142	123.2 Å²	123.2	87%	0.871	76%	0.755	S	S	*	*			trans	-138.1	-170.2	-177	-22.8	0	0	0	0	112.1
384	P	54.4	Low	31	Very low	108 Å²	108	130 Å²	130	70%	0.701	77%	0.766	S	S	*	*				-100.1	-178.2	-124.2	44.2	-31.5	0	0	0	116.3
385	P	34.4	Very low	31.1	Very low	123 Å²	123	133.1 Å²	133.1	80%	0.799	78%	0.776	S	S	*	*			trans	-132.3	-179.4	136.2	29.9	-12.5	0	0	0	114.1
386	P	42	Very low	30.9	Very low	109 Å²	109	134.5 Å²	134.5	71%	0.708	78%	0.78	S	S	*	*			trans	-135.9	-162.4	-144.3	35	-12	0	0	0	117.4
387	L	25.3	Very low	30.8	Very low	148 Å²	148	139.3 Å²	139.3	78%	0.775	80%	0.795	S	S	*	*			trans	79.2	152.4	164.1	-46	-180	0	0	0	116.7
388	L	26.8	Very low	30.8	Very low	130 Å²	130	137.2 Å²	137.2	68%	0.681	79%	0.794	S	S	*	*			cis	-159.7	153.9	-18	-112.7	169.7	0	0	0	110.5
389	N	28	Very low	30.9	Very low	121 Å²	121	142.1 Å²	142.1	65%	0.647	80%	0.803	S	S	*	*			trans	53.4	128	154	-72.7	-10.7	0	0	0	123.4
390	N	27.6	Very low	31.2	Very low	145 Å²	145	140.1 Å²	140.1	78%	0.775	80%	0.801	S	S	*	*				47.2	139.9	124.7	-54.3	-11.7	0	0	0	121.1
391	S	27.5	Very low	31.2	Very low	117 Å²	117	139.9 Å²	139.9	82%	0.818	80%	0.799	S	S	*	*			cis	-158.4	163.4	7.5	32.9	0	0	0	0	112.9
392	T	29.7	Very low	31	Very low	130 Å²	130	141.4 Å²	141.4	80%	0.798	80%	0.798	S	S	*	*			trans	-80	179.8	175.5	52.7	0	0	0	0	112.1
393	P	41	Very low	31.4	Very low	119 Å²	119	143 Å²	143	77%	0.773	79%	0.793	S	S	*	*			cis	-123.5	-162	2.4	35.9	-12.6	0	0	0	111.8
394	R	26.5	Very low	31.8	Very low	234 Å²	234	146 Å²	146	88%	0.883	79%	0.794	S	S	*	*			cis	-170.3	115	24.7	-175.6	-168.3	-168.2	-167.5	6.3	113.1
395	Q	28.3	Very low	30.7	Very low	197 Å²	197	146.8 Å²	146.8	92%	0.921	79%	0.792	S	S	*	*			trans	-164.4	141.5	140.4	-120.5	176.2	3.5	0	0	112.1
396	M	26	Very low	30.4	Very low	174 Å²	174	144.3 Å²	144.3	86%	0.857	78%	0.777	S	S	*	*			trans	-105.3	115	178.6	-75.8	167.9	55.6	0	0	110.5
397	M	30.6	Very low	30.1	Very low	192 Å²	192	143.7 Å²	143.7	95%	0.946	77%	0.773	S	S	*	*			trans	-144.1	110.3	155.6	-78.8	-61.5	176	0	0	108.3
398	S	27.9	Very low	30.9	Very low	117 Å²	117	141.9 Å²	141.9	82%	0.818	77%	0.773	S	S	*	*			trans	-145.3	141	174	49.9	0	0	0	0	111.2
399	K	28.6	Very low	31.7	Very low	194 Å²	194	142 Å²	142	84%	0.843	77%	0.773	S	S	*	*			trans	-77.6	153.1	-168.1	-61.3	168.6	-177.3	175.1	0	111.1	S401	K399-S401 PolarHBondContact O-N 2.86Å
400	P	31.1	Very low	32.5	Very low	128 Å²	128	139 Å²	139	83%	0.831	76%	0.759	S	S	*	*			trans	-65.9	107.9	171.2	28	-33.7	0	0	0	110
401	S	29.9	Very low	33.5	Very low	102 Å²	102	134.2 Å²	134.2	71%	0.713	74%	0.74	S	S	*	*			trans	-77.7	128.7	174.4	39.3	0	0	0	0	110.6	K399 V403	K399-S401 PolarHBondContact O-N 2.86Å; S401-V403 PolarHBondContact O-N 3.07Å
402	I	35.8	Very low	34.9	Very low	168 Å²	168	139.5 Å²	139.5	86%	0.862	74%	0.742	S	S	*	*			trans	-68.8	100.4	178	-62.9	173.4	0	0	0	108.8	K404	I402-K404 PolarHBondContact O-N 2.94Å
403	V	33.5	Very low	37	Very low	105 Å²	105	141.7 Å²	141.7	64%	0.636	74%	0.74	S	S	*	*			trans	-74.5	109.5	171.7	-178.9	0	0	0	0	108.4	S401 L405	S401-V403 PolarHBondContact O-N 3.07Å; V403-L405 HydrophobicContact CB-CD1 4.15Å; V403-L405 HydrophobicContact CG1-CD1 3.8Å; V403-L405 HydrophobicContact CG1-CG 4.08Å; V403-L405 PolarHBondContact O-N 2.79Å
404	K	33.2	Very low	39.2	Very low	204 Å²	204	141.8 Å²	141.8	89%	0.887	73%	0.725	S	S	*	*			trans	-76.3	72.4	178.7	-156.1	172.3	-171	176.1	0	110.5	I402	I402-K404 PolarHBondContact O-N 2.94Å
405	L	31.5	Very low	42.2	Very low	126 Å²	126	133.1 Å²	133.1	66%	0.66	70%	0.696	S	S	*	*			trans	-61.3	143.1	176.3	-81.5	114.6	0	0	0	111.3	V403	V403-L405 HydrophobicContact CB-CD1 4.15Å; V403-L405 HydrophobicContact CG1-CD1 3.8Å; V403-L405 HydrophobicContact CG1-CG 4.08Å; V403-L405 PolarHBondContact O-N 2.79Å
406	S	26.6	Very low	45	Very low	70 Å²	70	131.1 Å²	131.1	49%	0.49	69%	0.687	S	S	.	*			trans	-77.7	142.9	179.2	53.6	0	0	0	0	111.7	S408	S406-S408 PolarHBondContact O-N 3.27Å
407	P	36.8	Very low	47.8	Very low	97 Å²	97	129 Å²	129	63%	0.63	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.3	-17.3	-165.3	-23.8	34.9	0	0	0	115.9
408	S	41.1	Very low	50.6	Low	109 Å²	109	119.8 Å²	119.8	76%	0.762	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-19.7	-165.2	-167	0	0	0	0	115	S406	S406-S408 PolarHBondContact O-N 3.27Å
409	I	43.7	Very low	53.6	Low	132 Å²	132	114.7 Å²	114.7	68%	0.677	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-95.1	-27.3	-166.7	-62	178.3	0	0	0	113.1
410	T	45.8	Very low	56.7	Low	58 Å²	58	106 Å²	106	36%	0.356	55%	0.55	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.1	-38.2	-173.6	45.8	0	0	0	0	113.6	R412 K413	T410-R412 PolarHBondContact O-N 2.88Å; T410-K413 PolarHBondContact O-N 3.24Å
411	A	48.8	Very low	59.6	Low	46 Å²	46	103.9 Å²	103.9	38%	0.38	53%	0.532	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.4	-167.8	0	0	0	0	0	116.5
412	R	57.4	Low	62.7	Low	228 Å²	228	99 Å²	99	86%	0.86	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.7	-3.3	-178.3	-67.1	-174	70.7	172.3	3.1	115.5	T410 R414	T410-R412 PolarHBondContact O-N 2.88Å; R412-R414 PolarHBondContact O-N 2.9Å
413	K	73.3	Confident	65.5	Low	175 Å²	175	91 Å²	91	76%	0.761	46%	0.457	S	S	*	.			trans	-81.8	100.4	-178.1	-168.3	176.2	-178	-179.3	0	111	T410	T410-K413 PolarHBondContact O-N 3.24Å
414	R	86.9	Confident	68.4	Low	122 Å²	122	88.8 Å²	88.8	46%	0.46	44%	0.44	S	S	.	.			trans	-89.8	155.8	174.5	-63.5	173.3	-174.4	-147.8	6.6	111.7	R412 G418 E419 T420 K447	R412-R414 PolarHBondContact O-N 2.9Å; R414-G418 VanDerWaalsContact CD-O 3.23Å; R414-G418 WeakPolarHBondContact CD-O 3.41Å; R414-G418 VanDerWaalsContact CG-O 3.32Å; R414-G418 WeakPolarHBondContact CG-O 3.18Å; R414-E419 WeakPolarHBondContact CA-O 3.19Å; R414-T420 HydrophobicContact CG-CG2 4.2Å; R414-K447 PolarHBondContact NH1-O 2.6Å; R414-K447 VanDerWaalsContact NH1-O 3.07Å
415	N	88.8	Confident	71.4	Confident	51 Å²	51	79.3 Å²	79.3	27%	0.273	40%	0.4	S	S	.	.			trans	-86	-174.1	169.7	77	15	0	0	0	111.9	R417 G418 E419	N415-R417 PolarHBondContact O-N 3.24Å; N415-R417 WeakPolarHBondContact OD1-CA 3.39Å; N415-R417 WeakPolarHBondContact OD1-CB 3.3Å; N415-R417 PolarHBondContact OD1-N 2.86Å; N415-G418 PolarHBondContact O-N 2.95Å; N415-G418 PolarHBondContact OD1-N 2.77Å; N415-E419 PolarHBondContact N-O 3.12Å; N415-E419 PolarHBondContact ND2-OE2 3.41Å; N415-E419 PolarHBondContact OD1-N 2.9Å
416	H	87.7	Confident	74.4	Confident	156 Å²	156	73.3 Å²	73.3	72%	0.722	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-15.6	-178.1	62.8	80.8	0	0	0	114.6	H449	H416-H449 PolarHBondContact O-CE1 3.33Å; H416-H449 PolarHBondContact O-ND1 3.19Å; H416-H449 VanDerWaalsContact O-ND1 3.14Å
417	R	85.3	Confident	77.7	Confident	128 Å²	128	72.1 Å²	72.1	48%	0.483	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	0.3	170.3	-58.3	-169.7	-60.2	-113.7	-4.2	112.6	N415 E419 D448 H449	N415-R417 PolarHBondContact O-N 3.24Å; N415-R417 WeakPolarHBondContact OD1-CA 3.39Å; N415-R417 WeakPolarHBondContact OD1-CB 3.3Å; N415-R417 PolarHBondContact OD1-N 2.86Å; R417-E419 VanDerWaalsContact C-N 3.26Å; R417-E419 HydrophobicContact CB-CG 4.32Å; R417-E419 IonicContact CZ-OE1 3.41Å; R417-E419 IonicContact CZ-OE2 2.99Å; R417-E419 IonicContact NE-OE1 2.76Å; R417-E419 PolarHBondContact NE-OE1 3.05Å; R417-E419 IonicContact NE-OE2 2.63Å; R417-E419 IonicContact NH2-OE1 3.51Å; R417-E419 PolarHBondContact NH2-OE1 3.24Å; R417-E419 IonicContact NH2-OE2 3.11Å; R417-E419 PolarHBondContact NH2-OE2 3.27Å; R417-E419 PolarHBondContact O-N 3.42Å; R417-D448 VanDerWaalsContact O-OD2 3.14Å; R417-H449 VanDerWaalsContact C-CG 3.48Å; R417-H449 WeakPolarHBondContact O-CB 3.41Å; R417-H449 VanDerWaalsContact O-CG 3.24Å; R417-H449 PolarHBondContact O-N 3.03Å; R417-H449 PolarHBondContact O-ND1 3.42Å
418	G	88.1	Confident	80.4	Confident	0 Å²	0	74.5 Å²	74.5	0%	0	36%	0.357	C	S	.	.			trans	85.3	-5.3	179.2	0	0	0	0	0	114.3	R414 N415 H449	R414-G418 VanDerWaalsContact CD-O 3.23Å; R414-G418 WeakPolarHBondContact CD-O 3.41Å; R414-G418 VanDerWaalsContact CG-O 3.32Å; R414-G418 WeakPolarHBondContact CG-O 3.18Å; N415-G418 PolarHBondContact O-N 2.95Å; N415-G418 PolarHBondContact OD1-N 2.77Å; G418-H449 WeakPolarHBondContact CA-NE2 3.49Å; G418-H449 PolarHBondContact N-CE1 3.25Å; G418-H449 PolarHBondContact N-ND1 3.11Å
419	E	91.4	Very high	82.9	Confident	9 Å²	9	70.2 Å²	70.2	4%	0.042	33%	0.33	C	S	.	.			trans	-59.4	140.5	177.1	-67	162	-163.9	0	0	111.9	R414 N415 R417 H423 I424 D448	R414-E419 WeakPolarHBondContact CA-O 3.19Å; N415-E419 PolarHBondContact N-O 3.12Å; N415-E419 PolarHBondContact ND2-OE2 3.41Å; N415-E419 PolarHBondContact OD1-N 2.9Å; R417-E419 VanDerWaalsContact C-N 3.26Å; R417-E419 HydrophobicContact CB-CG 4.32Å; R417-E419 IonicContact CZ-OE1 3.41Å; R417-E419 IonicContact CZ-OE2 2.99Å; R417-E419 IonicContact NE-OE1 2.76Å; R417-E419 PolarHBondContact NE-OE1 3.05Å; R417-E419 IonicContact NE-OE2 2.63Å; R417-E419 IonicContact NH2-OE1 3.51Å; R417-E419 PolarHBondContact NH2-OE1 3.24Å; R417-E419 IonicContact NH2-OE2 3.11Å; R417-E419 PolarHBondContact NH2-OE2 3.27Å; R417-E419 PolarHBondContact O-N 3.42Å; E419-H423 HydrophobicContact CB-CB 3.9Å; E419-H423 HydrophobicContact CG-CB 4.06Å; E419-I424 HydrophobicContact CB-CG1 4.46Å; E419-D448 HydrophobicContact CG-CB 4.49Å
420	T	93.1	Very high	85.4	Confident	12 Å²	12	66.6 Å²	66.6	7%	0.074	31%	0.312	C	S	.	.			trans	-90.4	170.8	165.6	66.9	0	0	0	0	110.7	R414 L422 H423 I424 V446	R414-T420 HydrophobicContact CG-CG2 4.2Å; T420-L422 PolarHBondContact O-N 2.81Å; T420-L422 PolarHBondContact OG1-N 3Å; T420-H423 PolarHBondContact N-ND1 3.02Å; T420-H423 VanDerWaalsContact N-ND1 3.17Å; T420-H423 WeakPolarHBondContact O-CB 3.5Å; T420-H423 PolarHBondContact O-N 2.97Å; T420-H423 VanDerWaalsContact O-N 3.07Å; T420-H423 PolarHBondContact OG1-ND1 2.88Å; T420-I424 PolarHBondContact O-N 3.05Å; T420-V446 HydrophobicContact CG2-CB 4.31Å; T420-V446 HydrophobicContact CG2-CG1 3.75Å
421	L	93.1	Very high	87.8	Confident	84 Å²	84	67 Å²	67	44%	0.44	31%	0.312	S	S	.	.	H	α-helix	trans	-54.6	-33.5	171.9	-64	175.9	0	0	0	112.4	I424 A425 L437	L421-I424 PolarHBondContact O-N 3.35Å; L421-A425 WeakPolarHBondContact O-CB 3.35Å; L421-A425 PolarHBondContact O-N 2.97Å; L421-L437 HydrophobicContact CB-CD1 3.79Å; L421-L437 HydrophobicContact CB-CD2 4.11Å; L421-L437 HydrophobicContact CD1-CD2 4.26Å
422	L	95	Very high	90	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-69.7	-31.2	179.3	-174.4	61.2	0	0	0	112.7	T420 S426 V434 L437 L438 N442 P444 P454 L470	T420-L422 PolarHBondContact O-N 2.81Å; T420-L422 PolarHBondContact OG1-N 3Å; L422-S426 VanDerWaalsContact O-CB 3.29Å; L422-S426 WeakPolarHBondContact O-CB 3.47Å; L422-S426 PolarHBondContact O-N 2.95Å; L422-S426 PolarHBondContact O-OG 3.18Å; L422-V434 HydrophobicContact CD1-CB 4.39Å; L422-V434 HydrophobicContact CD1-CG1 4.14Å; L422-V434 HydrophobicContact CD1-CG2 4.29Å; L422-L437 HydrophobicContact CB-CD1 4.26Å; L422-L437 HydrophobicContact CD1-CB 4.19Å; L422-L437 HydrophobicContact CD1-CD1 4.43Å; L422-L438 HydrophobicContact CD1-CD2 4.24Å; L422-L438 HydrophobicContact CD1-CG 4.14Å; L422-L438 HydrophobicContact CD2-CD2 3.71Å; L422-L438 HydrophobicContact CD2-CG 4.48Å; L422-N442 HydrophobicContact CD2-CB 4.44Å; L422-P444 HydrophobicContact CD2-CB 4.16Å; L422-P454 HydrophobicContact CB-CG 4.23Å; L422-P454 HydrophobicContact CD2-CB 4.38Å; L422-P454 HydrophobicContact CD2-CG 4.04Å; L422-P454 HydrophobicContact CG-CB 3.99Å; L422-P454 HydrophobicContact CG-CG 3.85Å; L422-L470 HydrophobicContact CD1-CD2 4.29Å; L422-L470 HydrophobicContact CD2-CD2 4.2Å; L422-L470 HydrophobicContact CG-CD2 4.37Å
423	H	94.6	Very high	91.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.5	-50	169.6	-65.5	65.6	0	0	0	109.8	E419 T420 A425 S426 I427 V446 W452	E419-H423 HydrophobicContact CB-CB 3.9Å; E419-H423 HydrophobicContact CG-CB 4.06Å; T420-H423 PolarHBondContact N-ND1 3.02Å; T420-H423 VanDerWaalsContact N-ND1 3.17Å; T420-H423 WeakPolarHBondContact O-CB 3.5Å; T420-H423 PolarHBondContact O-N 2.97Å; T420-H423 VanDerWaalsContact O-N 3.07Å; T420-H423 PolarHBondContact OG1-ND1 2.88Å; H423-A425 VanDerWaalsContact C-N 3.3Å; H423-A425 PolarHBondContact O-N 3.17Å; H423-S426 PolarHBondContact O-N 3.48Å; H423-I427 VanDerWaalsContact O-CG1 3.3Å; H423-I427 WeakPolarHBondContact O-CG1 3.01Å; H423-I427 PolarHBondContact O-N 2.94Å; H423-V446 PolarHBondContact CE1-O 2.97Å; H423-V446 PolarHBondContact NE2-O 3.48Å; H423-W452 PolarHBondContact NE2-O 3.29Å
424	I	94.5	Very high	92.7	Very high	57 Å²	57	52.1 Å²	52.1	29%	0.292	26%	0.259	S	S	.	.	H	α-helix	trans	-62.5	-36.9	-177.2	-59.7	170.8	0	0	0	111.6	E419 T420 L421 K428	E419-I424 HydrophobicContact CB-CG1 4.46Å; T420-I424 PolarHBondContact O-N 3.05Å; L421-I424 PolarHBondContact O-N 3.35Å; I424-K428 VanDerWaalsContact O-CG 3.3Å; I424-K428 WeakPolarHBondContact O-CG 3.32Å; I424-K428 PolarHBondContact O-N 3.44Å
425	A	95.3	Very high	93.1	Very high	5 Å²	5	50.3 Å²	50.3	4%	0.041	26%	0.256	C	S	.	.	H	α-helix	trans	-68.4	-40.2	172.8	0	0	0	0	0	111.9	L421 H423 K428 G429 D430 V434 L437	L421-A425 WeakPolarHBondContact O-CB 3.35Å; L421-A425 PolarHBondContact O-N 2.97Å; H423-A425 VanDerWaalsContact C-N 3.3Å; H423-A425 PolarHBondContact O-N 3.17Å; A425-K428 PolarHBondContact O-N 3.32Å; A425-G429 PolarHBondContact O-N 2.92Å; A425-G429 VanDerWaalsContact O-N 3.13Å; A425-D430 HydrophobicContact CB-CB 4.39Å; A425-D430 PolarHBondContact O-N 3.48Å; A425-V434 HydrophobicContact CB-CG2 3.71Å; A425-L437 HydrophobicContact CB-CD1 4.3Å
426	S	96.1	Very high	93.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-69.5	-41.9	-179.8	-57.4	0	0	0	0	113.1	L422 H423 K428 G429 P454 H463	L422-S426 VanDerWaalsContact O-CB 3.29Å; L422-S426 WeakPolarHBondContact O-CB 3.47Å; L422-S426 PolarHBondContact O-N 2.95Å; L422-S426 PolarHBondContact O-OG 3.18Å; H423-S426 PolarHBondContact O-N 3.48Å; S426-K428 PolarHBondContact O-N 3.2Å; S426-G429 PolarHBondContact O-N 3.18Å; S426-P454 WeakPolarHBondContact CB-O 3.44Å; S426-H463 PolarHBondContact O-CD2 2.86Å
427	I	94.9	Very high	93.6	Very high	46 Å²	46	48.3 Å²	48.3	24%	0.236	24%	0.24	C	C	.	.	H	α-helix	trans	-53.8	-40.1	171.4	-68.7	163.5	0	0	0	111	H423 E457 H463	H423-I427 VanDerWaalsContact O-CG1 3.3Å; H423-I427 WeakPolarHBondContact O-CG1 3.01Å; H423-I427 PolarHBondContact O-N 2.94Å; I427-E457 HydrophobicContact CD1-CG 4.33Å; I427-E457 HydrophobicContact CG1-CB 3.86Å; I427-E457 VanDerWaalsContact CG1-CD 3.42Å; I427-E457 HydrophobicContact CG1-CG 3.82Å; I427-E457 WeakPolarHBondContact CG1-OE2 3.26Å; I427-H463 PolarHBondContact O-NE2 3.2Å
428	K	94.2	Very high	93.9	Very high	146 Å²	146	42.6 Å²	42.6	64%	0.635	22%	0.219	S	C	*	.	H	α-helix	trans	-81.9	-15.5	-176.9	-74.5	179.6	174.8	-170.8	0	115	I424 A425 S426 D430	I424-K428 VanDerWaalsContact O-CG 3.3Å; I424-K428 WeakPolarHBondContact O-CG 3.32Å; I424-K428 PolarHBondContact O-N 3.44Å; A425-K428 PolarHBondContact O-N 3.32Å; S426-K428 PolarHBondContact O-N 3.2Å; K428-D430 VanDerWaalsContact C-N 3.27Å; K428-D430 HydrophobicContact CB-CB 4.18Å
429	G	93.8	Very high	94	Very high	19 Å²	19	48.5 Å²	48.5	20%	0.196	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	23.9	-167.7	0	0	0	0	0	113.6	A425 S426 I431 H463	A425-G429 PolarHBondContact O-N 2.92Å; A425-G429 VanDerWaalsContact O-N 3.13Å; S426-G429 PolarHBondContact O-N 3.18Å; G429-I431 VanDerWaalsContact C-N 3.31Å; G429-I431 PolarHBondContact O-N 2.99Å; G429-H463 VanDerWaalsContact CA-CG 3.5Å; G429-H463 WeakPolarHBondContact CA-ND1 3.37Å; G429-H463 PolarHBondContact N-CD2 2.93Å; G429-H463 PolarHBondContact N-NE2 2.92Å
430	D	95.3	Very high	93.9	Very high	57 Å²	57	51.4 Å²	51.4	31%	0.305	26%	0.263	S	S	.	.			trans	-78.7	79.1	-175.6	-174.8	-9.7	0	0	0	110.7	A425 K428 P432 S433 V434	A425-D430 HydrophobicContact CB-CB 4.39Å; A425-D430 PolarHBondContact O-N 3.48Å; K428-D430 VanDerWaalsContact C-N 3.27Å; K428-D430 HydrophobicContact CB-CB 4.18Å; D430-P432 WeakPolarHBondContact OD1-CD 3.26Å; D430-S433 PolarHBondContact O-N 2.59Å; D430-S433 VanDerWaalsContact O-N 3.16Å; D430-S433 WeakPolarHBondContact OD1-CB 3.33Å; D430-S433 PolarHBondContact OD1-N 2.74Å; D430-S433 PolarHBondContact OD1-OG 3.27Å; D430-S433 VanDerWaalsContact OD2-CB 3.25Å; D430-S433 WeakPolarHBondContact OD2-CB 3.32Å; D430-S433 PolarHBondContact OD2-OG 3.43Å; D430-V434 WeakPolarHBondContact O-CG2 3.22Å; D430-V434 PolarHBondContact O-N 3.49Å
431	I	95.6	Very high	93.4	Very high	67 Å²	67	53.9 Å²	53.9	34%	0.344	29%	0.291	S	S	.	.	H	α-helix	trans	-51.9	-49.6	-175.5	-65.6	159.9	0	0	0	112.3	G429 S433 V434 E435 K465 V466 L469	G429-I431 VanDerWaalsContact C-N 3.31Å; G429-I431 PolarHBondContact O-N 2.99Å; I431-S433 PolarHBondContact O-N 2.93Å; I431-V434 PolarHBondContact O-N 2.98Å; I431-E435 WeakPolarHBondContact O-CB 3.36Å; I431-E435 PolarHBondContact O-N 3.46Å; I431-K465 HydrophobicContact CD1-CB 3.8Å; I431-K465 HydrophobicContact CD1-CG 3.89Å; I431-K465 HydrophobicContact CG1-CB 4.28Å; I431-K465 HydrophobicContact CG1-CG 4.32Å; I431-V466 HydrophobicContact CG1-CG2 3.97Å; I431-L469 HydrophobicContact CG2-CD1 3.85Å
432	P	95.1	Very high	93.1	Very high	92 Å²	92	50.5 Å²	50.5	60%	0.597	27%	0.273	S	S	*	.	H	α-helix	trans	-61.7	-40.2	177.5	-23.8	35.2	0	0	0	113.5	D430 Y436	D430-P432 WeakPolarHBondContact OD1-CD 3.26Å; P432-Y436 VanDerWaalsContact O-CB 3.27Å; P432-Y436 WeakPolarHBondContact O-CB 3.42Å; P432-Y436 PolarHBondContact O-N 3.03Å
433	S	93.6	Very high	92.8	Very high	43 Å²	43	54.5 Å²	54.5	30%	0.301	29%	0.294	S	S	.	.	H	α-helix	trans	-68.2	-38.4	176.2	-68.8	0	0	0	0	112.3	D430 I431 L437	D430-S433 PolarHBondContact O-N 2.59Å; D430-S433 VanDerWaalsContact O-N 3.16Å; D430-S433 WeakPolarHBondContact OD1-CB 3.33Å; D430-S433 PolarHBondContact OD1-N 2.74Å; D430-S433 PolarHBondContact OD1-OG 3.27Å; D430-S433 VanDerWaalsContact OD2-CB 3.25Å; D430-S433 WeakPolarHBondContact OD2-CB 3.32Å; D430-S433 PolarHBondContact OD2-OG 3.43Å; I431-S433 PolarHBondContact O-N 2.93Å; S433-L437 WeakPolarHBondContact O-CB 3.39Å; S433-L437 WeakPolarHBondContact O-CD1 3.49Å; S433-L437 WeakPolarHBondContact O-CG 3.3Å; S433-L437 PolarHBondContact O-N 2.96Å
434	V	94.9	Very high	92.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-60.7	-54	174.8	166.9	0	0	0	0	110.1	L422 A425 D430 I431 Y436 L437 L438 V466 L469	L422-V434 HydrophobicContact CD1-CB 4.39Å; L422-V434 HydrophobicContact CD1-CG1 4.14Å; L422-V434 HydrophobicContact CD1-CG2 4.29Å; A425-V434 HydrophobicContact CB-CG2 3.71Å; D430-V434 WeakPolarHBondContact O-CG2 3.22Å; D430-V434 PolarHBondContact O-N 3.49Å; I431-V434 PolarHBondContact O-N 2.98Å; V434-Y436 PolarHBondContact O-N 3.25Å; V434-L437 PolarHBondContact O-N 3.3Å; V434-L438 HydrophobicContact CG1-CD1 3.63Å; V434-L438 HydrophobicContact CG1-CG 4.38Å; V434-L438 WeakPolarHBondContact O-CB 3.26Å; V434-L438 VanDerWaalsContact O-CG 3.26Å; V434-L438 WeakPolarHBondContact O-CG 3.4Å; V434-L438 PolarHBondContact O-N 2.93Å; V434-V466 HydrophobicContact CG1-CG1 4.21Å; V434-V466 HydrophobicContact CG2-CG1 3.94Å; V434-V466 HydrophobicContact CG2-CG2 4.09Å; V434-L469 HydrophobicContact CG1-CB 4.21Å; V434-L469 HydrophobicContact CG1-CD1 4.24Å
435	E	94.1	Very high	92.4	Very high	84 Å²	84	53.9 Å²	53.9	39%	0.393	29%	0.292	S	S	.	.	H	α-helix	trans	-58.1	-49.6	179.8	179.9	174.7	-164	0	0	111.5	I431 L437 L438 Q439 L469	I431-E435 WeakPolarHBondContact O-CB 3.36Å; I431-E435 PolarHBondContact O-N 3.46Å; E435-L437 VanDerWaalsContact C-N 3.33Å; E435-L437 PolarHBondContact O-N 2.88Å; E435-L438 PolarHBondContact O-N 3.4Å; E435-Q439 HydrophobicContact CG-CG 4.31Å; E435-Q439 VanDerWaalsContact CG-NE2 3.3Å; E435-Q439 WeakPolarHBondContact O-CB 3.38Å; E435-Q439 WeakPolarHBondContact O-CG 3.45Å; E435-Q439 PolarHBondContact O-N 3.17Å; E435-Q439 PolarHBondContact OE1-NE2 3.13Å; E435-L469 HydrophobicContact CB-CD1 4.3Å
436	Y	93.8	Very high	92.2	Very high	148 Å²	148	54.8 Å²	54.8	58%	0.58	30%	0.297	S	S	*	.	H	α-helix	trans	-59	-41.8	178.1	177.4	-98.5	0	0	0	112.6	P432 V434 N440	P432-Y436 VanDerWaalsContact O-CB 3.27Å; P432-Y436 WeakPolarHBondContact O-CB 3.42Å; P432-Y436 PolarHBondContact O-N 3.03Å; V434-Y436 PolarHBondContact O-N 3.25Å; Y436-N440 VanDerWaalsContact CE2-ND2 3.32Å; Y436-N440 WeakPolarHBondContact CE2-ND2 3.27Å; Y436-N440 VanDerWaalsContact CZ-ND2 3.34Å; Y436-N440 WeakPolarHBondContact O-CB 3.41Å; Y436-N440 PolarHBondContact O-N 3.35Å; Y436-N440 VanDerWaalsContact O-N 3.1Å; Y436-N440 PolarHBondContact O-ND2 3.37Å
437	L	93	Very high	91.9	Very high	17 Å²	17	56.9 Å²	56.9	9%	0.089	31%	0.306	C	S	.	.	H	α-helix	trans	-67.3	-41	178.3	-73.2	168.4	0	0	0	111.9	L421 L422 A425 S433 V434 E435 N440 G441 N442	L421-L437 HydrophobicContact CB-CD1 3.79Å; L421-L437 HydrophobicContact CB-CD2 4.11Å; L421-L437 HydrophobicContact CD1-CD2 4.26Å; L422-L437 HydrophobicContact CB-CD1 4.26Å; L422-L437 HydrophobicContact CD1-CB 4.19Å; L422-L437 HydrophobicContact CD1-CD1 4.43Å; A425-L437 HydrophobicContact CB-CD1 4.3Å; S433-L437 WeakPolarHBondContact O-CB 3.39Å; S433-L437 WeakPolarHBondContact O-CD1 3.49Å; S433-L437 WeakPolarHBondContact O-CG 3.3Å; S433-L437 PolarHBondContact O-N 2.96Å; V434-L437 PolarHBondContact O-N 3.3Å; E435-L437 VanDerWaalsContact C-N 3.33Å; E435-L437 PolarHBondContact O-N 2.88Å; L437-N440 CarbonylContact O-C 3.39Å; L437-N440 PolarHBondContact O-N 3.34Å; L437-G441 PolarHBondContact O-N 2.97Å; L437-N442 HydrophobicContact CB-CB 4.35Å; L437-N442 WeakPolarHBondContact O-CB 3.37Å; L437-N442 PolarHBondContact O-N 3.24Å; L437-N442 VanDerWaalsContact O-N 3.1Å; L437-N442 PolarHBondContact O-ND2 2.88Å
438	L	92.4	Very high	91.6	Very high	8 Å²	8	55.8 Å²	55.8	4%	0.042	30%	0.301	C	S	.	.	H	α-helix	trans	-67.6	-42.6	178.2	-68.8	171.5	0	0	0	112	L422 V434 E435 N440 G441 P444 L469 L470 H473	L422-L438 HydrophobicContact CD1-CD2 4.24Å; L422-L438 HydrophobicContact CD1-CG 4.14Å; L422-L438 HydrophobicContact CD2-CD2 3.71Å; L422-L438 HydrophobicContact CD2-CG 4.48Å; V434-L438 HydrophobicContact CG1-CD1 3.63Å; V434-L438 HydrophobicContact CG1-CG 4.38Å; V434-L438 WeakPolarHBondContact O-CB 3.26Å; V434-L438 VanDerWaalsContact O-CG 3.26Å; V434-L438 WeakPolarHBondContact O-CG 3.4Å; V434-L438 PolarHBondContact O-N 2.93Å; E435-L438 PolarHBondContact O-N 3.4Å; L438-N440 VanDerWaalsContact C-N 3.25Å; L438-N440 PolarHBondContact O-N 2.93Å; L438-G441 PolarHBondContact O-N 3.34Å; L438-P444 HydrophobicContact CD2-CB 4.05Å; L438-P444 HydrophobicContact CD2-CG 4.35Å; L438-L469 HydrophobicContact CD1-CB 4.25Å; L438-L470 HydrophobicContact CD1-CD2 4.24Å; L438-L470 HydrophobicContact CD2-CD2 4.24Å; L438-H473 HydrophobicContact CB-CB 4.28Å; L438-H473 HydrophobicContact CD1-CB 4.04Å; L438-H473 HydrophobicContact CD2-CB 3.87Å; L438-H473 HydrophobicContact CG-CB 4.28Å
439	Q	90.7	Very high	91.2	Very high	125 Å²	125	55.3 Å²	55.3	58%	0.584	30%	0.301	S	S	*	.	H	α-helix	trans	-61.3	-32.2	172.8	-71	179.3	7.8	0	0	112.5	E435 G441	E435-Q439 HydrophobicContact CG-CG 4.31Å; E435-Q439 VanDerWaalsContact CG-NE2 3.3Å; E435-Q439 WeakPolarHBondContact O-CB 3.38Å; E435-Q439 WeakPolarHBondContact O-CG 3.45Å; E435-Q439 PolarHBondContact O-N 3.17Å; E435-Q439 PolarHBondContact OE1-NE2 3.13Å; Q439-G441 PolarHBondContact O-N 3Å
440	N	88.4	Confident	90.8	Very high	69 Å²	69	56.8 Å²	56.8	37%	0.369	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	12.3	172.5	-77.9	-83.5	0	0	0	114	Y436 L437 L438	Y436-N440 VanDerWaalsContact CE2-ND2 3.32Å; Y436-N440 WeakPolarHBondContact CE2-ND2 3.27Å; Y436-N440 VanDerWaalsContact CZ-ND2 3.34Å; Y436-N440 WeakPolarHBondContact O-CB 3.41Å; Y436-N440 PolarHBondContact O-N 3.35Å; Y436-N440 VanDerWaalsContact O-N 3.1Å; Y436-N440 PolarHBondContact O-ND2 3.37Å; L437-N440 CarbonylContact O-C 3.39Å; L437-N440 PolarHBondContact O-N 3.34Å; L438-N440 VanDerWaalsContact C-N 3.25Å; L438-N440 PolarHBondContact O-N 2.93Å
441	G	82.3	Confident	90.4	Very high	64 Å²	64	54.9 Å²	54.9	66%	0.66	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	75	27.1	172.8	0	0	0	0	0	115.1	L437 L438 Q439 D443	L437-G441 PolarHBondContact O-N 2.97Å; L438-G441 PolarHBondContact O-N 3.34Å; Q439-G441 PolarHBondContact O-N 3Å; G441-D443 PolarHBondContact O-N 3.3Å
442	N	87.7	Confident	90.3	Very high	14 Å²	14	54.2 Å²	54.2	8%	0.075	30%	0.298	C	S	.	.			trans	-74.1	124.1	169.7	-71.5	-100.1	0	0	0	109.7	L422 L437 P444	L422-N442 HydrophobicContact CD2-CB 4.44Å; L437-N442 HydrophobicContact CB-CB 4.35Å; L437-N442 WeakPolarHBondContact O-CB 3.37Å; L437-N442 PolarHBondContact O-N 3.24Å; L437-N442 VanDerWaalsContact O-N 3.1Å; L437-N442 PolarHBondContact O-ND2 2.88Å; N442-P444 WeakPolarHBondContact O-CD 3.5Å
443	D	87.9	Confident	90.2	Very high	83 Å²	83	49.9 Å²	49.9	44%	0.444	27%	0.27	S	S	.	.			trans	-65.6	119.4	179.4	171.5	22.4	0	0	0	111.8	G441 N445 V446	G441-D443 PolarHBondContact O-N 3.3Å; D443-N445 PolarHBondContact O-N 3.01Å; D443-N445 VanDerWaalsContact OD1-CB 3.3Å; D443-N445 WeakPolarHBondContact OD1-CB 3.33Å; D443-N445 PolarHBondContact OD1-N 2.95Å; D443-N445 PolarHBondContact OD1-ND2 2.92Å; D443-V446 HydrophobicContact CB-CG2 3.95Å
444	P	91.6	Very high	90.3	Very high	8 Å²	8	47.8 Å²	47.8	5%	0.052	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.5	178.4	31.8	-35.2	0	0	0	113.9	L422 L438 N442 P454 L470 A475	L422-P444 HydrophobicContact CD2-CB 4.16Å; L438-P444 HydrophobicContact CD2-CB 4.05Å; L438-P444 HydrophobicContact CD2-CG 4.35Å; N442-P444 WeakPolarHBondContact O-CD 3.5Å; P444-P454 WeakPolarHBondContact O-CD 3.26Å; P444-L470 HydrophobicContact CB-CD2 3.74Å; P444-A475 HydrophobicContact CB-CB 4.04Å; P444-A475 HydrophobicContact CG-CB 4.2Å
445	N	90.9	Very high	90.4	Very high	37 Å²	37	47.8 Å²	47.8	20%	0.198	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	3.5	-176.3	-57.4	-62.7	0	0	0	113.7	D443 K447 N474 A475 L476	D443-N445 PolarHBondContact O-N 3.01Å; D443-N445 VanDerWaalsContact OD1-CB 3.3Å; D443-N445 WeakPolarHBondContact OD1-CB 3.33Å; D443-N445 PolarHBondContact OD1-N 2.95Å; D443-N445 PolarHBondContact OD1-ND2 2.92Å; N445-K447 PolarHBondContact O-N 3.03Å; N445-N474 PolarHBondContact ND2-O 2.95Å; N445-A475 WeakPolarHBondContact OD1-CA 3.48Å; N445-L476 HydrophobicContact CB-CD1 4.32Å; N445-L476 WeakPolarHBondContact OD1-CB 3.49Å; N445-L476 VanDerWaalsContact OD1-CG 3.3Å; N445-L476 WeakPolarHBondContact OD1-CG 3.49Å; N445-L476 PolarHBondContact OD1-N 3.16Å
446	V	89.2	Confident	90.5	Very high	24 Å²	24	43.8 Å²	43.8	15%	0.145	24%	0.237	C	C	.	.			trans	-60.9	118.9	174.2	174.4	0	0	0	0	110.1	T420 H423 D443	T420-V446 HydrophobicContact CG2-CB 4.31Å; T420-V446 HydrophobicContact CG2-CG1 3.75Å; H423-V446 PolarHBondContact CE1-O 2.97Å; H423-V446 PolarHBondContact NE2-O 3.48Å; D443-V446 HydrophobicContact CB-CG2 3.95Å
447	K	89.9	Confident	90.6	Very high	44 Å²	44	37.3 Å²	37.3	19%	0.191	21%	0.212	C	C	.	.			trans	-80.1	141	168.5	-60.2	-177.1	-175.7	-177.4	0	111.4	R414 N445 G451 W452 T453 T480 D663	R414-K447 PolarHBondContact NH1-O 2.6Å; R414-K447 VanDerWaalsContact NH1-O 3.07Å; N445-K447 PolarHBondContact O-N 3.03Å; K447-G451 WeakPolarHBondContact CD-O 3.45Å; K447-G451 WeakPolarHBondContact CG-O 3.32Å; K447-W452 CarbonylContact C-O 3.55Å; K447-W452 VanDerWaalsContact CA-O 3.27Å; K447-W452 WeakPolarHBondContact CA-O 3.49Å; K447-T453 HydrophobicContact CG-CG2 3.75Å; K447-T480 VanDerWaalsContact CE-O 3.26Å; K447-T480 WeakPolarHBondContact CE-O 3.46Å; K447-T480 PolarHBondContact NZ-O 2.97Å; K447-D663 VanDerWaalsContact NZ-CG 3.3Å; K447-D663 IonicContact NZ-OD1 3.97Å; K447-D663 PolarHBondContact NZ-OD1 3.21Å; K447-D663 IonicContact NZ-OD2 3.91Å; K447-D663 PolarHBondContact NZ-OD2 2.95Å
448	D	89.9	Confident	90.7	Very high	23 Å²	23	36.5 Å²	36.5	12%	0.123	21%	0.207	C	C	.	.			trans	-77.2	-158	173.5	90.6	-50.7	0	0	0	112.3	R417 E419 A450 G451 W452	R417-D448 VanDerWaalsContact O-OD2 3.14Å; E419-D448 HydrophobicContact CG-CB 4.49Å; D448-A450 WeakPolarHBondContact OD1-CA 3.27Å; D448-A450 WeakPolarHBondContact OD1-CB 3.47Å; D448-A450 PolarHBondContact OD1-N 3.13Å; D448-A450 WeakPolarHBondContact OD2-CB 3.26Å; D448-A450 PolarHBondContact OD2-N 3.04Å; D448-G451 PolarHBondContact OD1-N 3.3Å; D448-W452 PolarHBondContact N-O 3.45Å; D448-W452 PolarHBondContact OD1-N 3.32Å
449	H	86.3	Confident	90.9	Very high	135 Å²	135	36.1 Å²	36.1	63%	0.625	21%	0.205	S	C	*	.	S	Bend	trans	-83.2	-22.5	172	-63.2	163.1	0	0	0	114.4	H416 R417 G418	H416-H449 PolarHBondContact O-CE1 3.33Å; H416-H449 PolarHBondContact O-ND1 3.19Å; H416-H449 VanDerWaalsContact O-ND1 3.14Å; R417-H449 VanDerWaalsContact C-CG 3.48Å; R417-H449 WeakPolarHBondContact O-CB 3.41Å; R417-H449 VanDerWaalsContact O-CG 3.24Å; R417-H449 PolarHBondContact O-N 3.03Å; R417-H449 PolarHBondContact O-ND1 3.42Å; G418-H449 WeakPolarHBondContact CA-NE2 3.49Å; G418-H449 PolarHBondContact N-CE1 3.25Å; G418-H449 PolarHBondContact N-ND1 3.11Å
450	A	85.3	Confident	91.2	Very high	51 Å²	51	31.1 Å²	31.1	42%	0.421	18%	0.184	S	C	.	.	S	Bend	trans	-78.5	-26.4	170.9	0	0	0	0	0	112.7	D448 Y482	D448-A450 WeakPolarHBondContact OD1-CA 3.27Å; D448-A450 WeakPolarHBondContact OD1-CB 3.47Å; D448-A450 PolarHBondContact OD1-N 3.13Å; D448-A450 WeakPolarHBondContact OD2-CB 3.26Å; D448-A450 PolarHBondContact OD2-N 3.04Å; A450-Y482 HydrophobicContact CB-CD2 4.43Å
451	G	86.6	Confident	91.5	Very high	16 Å²	16	32 Å²	32	17%	0.165	19%	0.186	C	C	.	.	S	Bend	trans	113.5	-8	-177.6	0	0	0	0	0	114	K447 D448 G481	K447-G451 WeakPolarHBondContact CD-O 3.45Å; K447-G451 WeakPolarHBondContact CG-O 3.32Å; D448-G451 PolarHBondContact OD1-N 3.3Å; G451-G481 WeakPolarHBondContact O-CA 3.34Å
452	W	91.8	Very high	92.1	Very high	53 Å²	53	30.3 Å²	30.3	20%	0.201	17%	0.168	C	C	.	.			trans	-70.6	149.4	-179.9	-81.8	-11.4	0	0	0	112.4	H423 K447 D448 H456 E457 D490	H423-W452 PolarHBondContact NE2-O 3.29Å; K447-W452 CarbonylContact C-O 3.55Å; K447-W452 VanDerWaalsContact CA-O 3.27Å; K447-W452 WeakPolarHBondContact CA-O 3.49Å; D448-W452 PolarHBondContact N-O 3.45Å; D448-W452 PolarHBondContact OD1-N 3.32Å; W452-H456 HydrophobicContact CB-CB 3.98Å; W452-H456 AromaticContact CD1-CD2 3.62Å; W452-H456 AromaticContact CD1-CG 3.73Å; W452-H456 HydrophobicContact CD2-CB 4.23Å; W452-H456 HydrophobicContact CG-CB 3.76Å; W452-H456 AromaticContact NE1-CD2 3.96Å; W452-E457 HydrophobicContact CE3-CG 4.46Å; W452-D490 PolarHBondContact NE1-OD2 3.06Å
453	T	94.3	Very high	92.5	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	18%	0.176	C	C	.	.			trans	-106.8	165.9	169.9	67	0	0	0	0	109.6	K447 L455 H456 E457 T479	K447-T453 HydrophobicContact CG-CG2 3.75Å; T453-L455 PolarHBondContact O-N 3.19Å; T453-L455 PolarHBondContact OG1-N 3.35Å; T453-H456 PolarHBondContact N-ND1 2.76Å; T453-H456 WeakPolarHBondContact O-CB 3.39Å; T453-H456 PolarHBondContact O-N 3.3Å; T453-H456 PolarHBondContact OG1-ND1 2.93Å; T453-E457 PolarHBondContact O-N 3.46Å; T453-T479 HydrophobicContact CG2-CG2 4.04Å
454	P	95.8	Very high	92.9	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-49	-30.5	170.5	-30.2	36.2	0	0	0	114.6	L422 S426 P444 E457 A458 L470	L422-P454 HydrophobicContact CB-CG 4.23Å; L422-P454 HydrophobicContact CD2-CB 4.38Å; L422-P454 HydrophobicContact CD2-CG 4.04Å; L422-P454 HydrophobicContact CG-CB 3.99Å; L422-P454 HydrophobicContact CG-CG 3.85Å; S426-P454 WeakPolarHBondContact CB-O 3.44Å; P444-P454 WeakPolarHBondContact O-CD 3.26Å; P454-E457 PolarHBondContact O-N 3.15Å; P454-A458 WeakPolarHBondContact O-CB 3.14Å; P454-A458 PolarHBondContact O-N 3.21Å; P454-L470 HydrophobicContact CB-CD1 4.11Å; P454-L470 HydrophobicContact CB-CD2 4.01Å; P454-L470 WeakPolarHBondContact O-CD1 3.41Å
455	L	96.4	Very high	93.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-70.2	-38.7	176	-175.8	61.9	0	0	0	112.5	T453 A458 C459 V467 L470 L471 A475 P487	T453-L455 PolarHBondContact O-N 3.19Å; T453-L455 PolarHBondContact OG1-N 3.35Å; L455-A458 PolarHBondContact O-N 2.99Å; L455-C459 VanDerWaalsContact O-CB 3.3Å; L455-C459 WeakPolarHBondContact O-CB 3.5Å; L455-C459 PolarHBondContact O-N 3.14Å; L455-C459 PolarHBondContact O-SG 2.72Å; L455-V467 HydrophobicContact CD1-CB 4.39Å; L455-V467 HydrophobicContact CD1-CG1 3.95Å; L455-V467 HydrophobicContact CD1-CG2 4.29Å; L455-L470 HydrophobicContact CB-CD1 4.29Å; L455-L470 HydrophobicContact CD1-CB 4.31Å; L455-L470 HydrophobicContact CD1-CD1 4.35Å; L455-L471 HydrophobicContact CD1-CG 4.48Å; L455-L471 HydrophobicContact CD2-CD2 4.15Å; L455-A475 HydrophobicContact CB-CB 4.37Å; L455-A475 HydrophobicContact CD2-CB 4Å; L455-P487 HydrophobicContact CD2-CB 4.2Å; L455-P487 HydrophobicContact CD2-CG 3.86Å; L455-P487 HydrophobicContact CG-CB 3.99Å; L455-P487 HydrophobicContact CG-CG 3.93Å
456	H	96.1	Very high	93.3	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-62.7	-45.1	173	-66.4	75	0	0	0	110.5	W452 T453 A458 C459 S460 T479 G481 D485 P487 D490	W452-H456 HydrophobicContact CB-CB 3.98Å; W452-H456 AromaticContact CD1-CD2 3.62Å; W452-H456 AromaticContact CD1-CG 3.73Å; W452-H456 HydrophobicContact CD2-CB 4.23Å; W452-H456 HydrophobicContact CG-CB 3.76Å; W452-H456 AromaticContact NE1-CD2 3.96Å; T453-H456 PolarHBondContact N-ND1 2.76Å; T453-H456 WeakPolarHBondContact O-CB 3.39Å; T453-H456 PolarHBondContact O-N 3.3Å; T453-H456 PolarHBondContact OG1-ND1 2.93Å; H456-A458 PolarHBondContact O-N 3.21Å; H456-C459 PolarHBondContact O-N 2.78Å; H456-S460 VanDerWaalsContact O-CB 3.25Å; H456-S460 WeakPolarHBondContact O-CB 3.26Å; H456-S460 PolarHBondContact O-N 2.77Å; H456-T479 PolarHBondContact CE1-O 3.27Å; H456-T479 VanDerWaalsContact CE1-O 3.24Å; H456-T479 PolarHBondContact NE2-O 3.29Å; H456-G481 WeakPolarHBondContact NE2-CA 3.43Å; H456-G481 PolarHBondContact NE2-N 2.78Å; H456-D485 PolarHBondContact NE2-O 2.97Å; H456-P487 WeakPolarHBondContact NE2-CD 3.47Å; H456-D490 IonicContact CD2-OD2 3.44Å; H456-D490 PolarHBondContact CD2-OD2 3.32Å
457	E	95.8	Very high	93.7	Very high	11 Å²	11	32.5 Å²	32.5	5%	0.051	17%	0.172	C	C	.	.	H	α-helix	trans	-59.9	-46.8	177.8	-65.7	-73.6	-162.2	0	0	111.9	I427 W452 T453 P454 S460 H461	I427-E457 HydrophobicContact CD1-CG 4.33Å; I427-E457 HydrophobicContact CG1-CB 3.86Å; I427-E457 VanDerWaalsContact CG1-CD 3.42Å; I427-E457 HydrophobicContact CG1-CG 3.82Å; I427-E457 WeakPolarHBondContact CG1-OE2 3.26Å; W452-E457 HydrophobicContact CE3-CG 4.46Å; T453-E457 PolarHBondContact O-N 3.46Å; P454-E457 PolarHBondContact O-N 3.15Å; E457-S460 PolarHBondContact O-N 3.41Å; E457-H461 WeakPolarHBondContact O-CB 3.43Å; E457-H461 PolarHBondContact O-N 3.48Å; E457-H461 PolarHBondContact O-ND1 2.81Å; E457-H461 IonicContact OE2-CE1 2.74Å; E457-H461 PolarHBondContact OE2-CE1 3.32Å; E457-H461 VanDerWaalsContact OE2-CE1 3.3Å; E457-H461 IonicContact OE2-ND1 3.55Å
458	A	96.5	Very high	93.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.8	-40.6	178.2	0	0	0	0	0	112.6	P454 L455 H456 G462 H463 V466 V467 L470	P454-A458 WeakPolarHBondContact O-CB 3.14Å; P454-A458 PolarHBondContact O-N 3.21Å; L455-A458 PolarHBondContact O-N 2.99Å; H456-A458 PolarHBondContact O-N 3.21Å; A458-G462 PolarHBondContact O-N 3.34Å; A458-G462 VanDerWaalsContact O-N 3.17Å; A458-H463 PolarHBondContact O-N 2.96Å; A458-V466 HydrophobicContact CB-CB 4.17Å; A458-V466 HydrophobicContact CB-CG1 3.64Å; A458-V467 HydrophobicContact CB-CG2 3.71Å; A458-L470 HydrophobicContact CB-CD1 4.01Å
459	C	96.7	Very high	94.1	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.1	-40.4	176.8	-71.2	0	0	0	0	112.7	L455 H456 P487 A491 H496 I499	L455-C459 VanDerWaalsContact O-CB 3.3Å; L455-C459 WeakPolarHBondContact O-CB 3.5Å; L455-C459 PolarHBondContact O-N 3.14Å; L455-C459 PolarHBondContact O-SG 2.72Å; H456-C459 PolarHBondContact O-N 2.78Å; C459-P487 HydrophobicContact CB-CB 4.34Å; C459-P487 WeakPolarHBondContact CB-O 3.29Å; C459-A491 HydrophobicContact CB-CB 4.18Å; C459-H496 PolarHBondContact O-CD2 2.88Å; C459-I499 HydrophobicContact CB-CG2 4.17Å
460	S	95.3	Very high	94.4	Very high	20 Å²	20	26.4 Å²	26.4	14%	0.14	14%	0.144	C	C	.	.	H	α-helix	trans	-65.9	-43.3	178.2	-171.3	0	0	0	0	111.8	H456 E457 N494 H496	H456-S460 VanDerWaalsContact O-CB 3.25Å; H456-S460 WeakPolarHBondContact O-CB 3.26Å; H456-S460 PolarHBondContact O-N 2.77Å; E457-S460 PolarHBondContact O-N 3.41Å; S460-N494 PolarHBondContact OG-ND2 2.85Å; S460-H496 PolarHBondContact O-NE2 2.78Å
461	H	94.5	Very high	94.8	Very high	89 Å²	89	24.3 Å²	24.3	41%	0.412	13%	0.126	S	C	.	.	H	α-helix	trans	-86.5	-2.1	-177	-65.8	88.7	0	0	0	115.1	E457 H463	E457-H461 WeakPolarHBondContact O-CB 3.43Å; E457-H461 PolarHBondContact O-N 3.48Å; E457-H461 PolarHBondContact O-ND1 2.81Å; E457-H461 IonicContact OE2-CE1 2.74Å; E457-H461 PolarHBondContact OE2-CE1 3.32Å; E457-H461 VanDerWaalsContact OE2-CE1 3.3Å; E457-H461 IonicContact OE2-ND1 3.55Å; H461-H463 VanDerWaalsContact CB-CD2 3.43Å; H461-H463 WeakPolarHBondContact CB-CD2 3.33Å; H461-H463 WeakPolarHBondContact CB-NE2 3.45Å
462	G	94.8	Very high	95	Very high	27 Å²	27	29.5 Å²	29.5	28%	0.278	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	84.5	15.2	175.2	0	0	0	0	0	115.9	A458 L464 H496 I499	A458-G462 PolarHBondContact O-N 3.34Å; A458-G462 VanDerWaalsContact O-N 3.17Å; G462-L464 VanDerWaalsContact C-N 3.34Å; G462-L464 PolarHBondContact O-N 2.74Å; G462-H496 WeakPolarHBondContact CA-CE1 3.3Å; G462-H496 WeakPolarHBondContact CA-ND1 3.08Å; G462-H496 PolarHBondContact N-NE2 3.3Å; G462-I499 VanDerWaalsContact C-CD1 3.48Å
463	H	96.9	Very high	94.9	Very high	53 Å²	53	30.4 Å²	30.4	25%	0.245	15%	0.152	C	C	.	.			trans	-83.8	69.6	-172.7	-62.1	-57.3	0	0	0	113	S426 I427 G429 A458 H461 K465 V466 V467	S426-H463 PolarHBondContact O-CD2 2.86Å; I427-H463 PolarHBondContact O-NE2 3.2Å; G429-H463 VanDerWaalsContact CA-CG 3.5Å; G429-H463 WeakPolarHBondContact CA-ND1 3.37Å; G429-H463 PolarHBondContact N-CD2 2.93Å; G429-H463 PolarHBondContact N-NE2 2.92Å; A458-H463 PolarHBondContact O-N 2.96Å; H461-H463 VanDerWaalsContact CB-CD2 3.43Å; H461-H463 WeakPolarHBondContact CB-CD2 3.33Å; H461-H463 WeakPolarHBondContact CB-NE2 3.45Å; H463-K465 VanDerWaalsContact C-N 3.3Å; H463-K465 PolarHBondContact O-N 3.33Å; H463-K465 VanDerWaalsContact O-N 3.13Å; H463-V466 HydrophobicContact CB-CB 3.94Å; H463-V466 HydrophobicContact CB-CG2 4.1Å; H463-V466 WeakPolarHBondContact O-CA 3.34Å; H463-V466 WeakPolarHBondContact O-CB 3.28Å; H463-V466 PolarHBondContact O-N 2.68Å; H463-V467 PolarHBondContact O-N 3.42Å
464	L	95.6	Very high	94.5	Very high	58 Å²	58	33.2 Å²	33.2	30%	0.304	17%	0.167	S	C	.	.	H	α-helix	trans	-45.4	-47.2	-175.9	-178.2	65.1	0	0	0	114	G462 V466 V467 E468 D498 I499 V502	G462-L464 VanDerWaalsContact C-N 3.34Å; G462-L464 PolarHBondContact O-N 2.74Å; L464-V466 VanDerWaalsContact C-N 3.32Å; L464-V466 PolarHBondContact O-N 3.49Å; L464-V467 WeakPolarHBondContact O-CB 3.09Å; L464-V467 PolarHBondContact O-N 3.07Å; L464-E468 PolarHBondContact O-N 3.39Å; L464-D498 HydrophobicContact CD1-CB 4.33Å; L464-D498 HydrophobicContact CD2-CB 4.11Å; L464-I499 HydrophobicContact CB-CG1 4.15Å; L464-I499 HydrophobicContact CD1-CG1 3.76Å; L464-V502 HydrophobicContact CD1-CB 4.43Å; L464-V502 HydrophobicContact CD1-CG2 3.87Å
465	K	95.8	Very high	94.3	Very high	100 Å²	100	33.2 Å²	33.2	44%	0.435	17%	0.167	S	C	.	.	H	α-helix	trans	-71.4	-25.7	-177.8	-166.8	50.2	165.2	175	0	113.7	I431 H463 E468 L469	I431-K465 HydrophobicContact CD1-CB 3.8Å; I431-K465 HydrophobicContact CD1-CG 3.89Å; I431-K465 HydrophobicContact CG1-CB 4.28Å; I431-K465 HydrophobicContact CG1-CG 4.32Å; H463-K465 VanDerWaalsContact C-N 3.3Å; H463-K465 PolarHBondContact O-N 3.33Å; H463-K465 VanDerWaalsContact O-N 3.13Å; K465-E468 HydrophobicContact CD-CB 4.36Å; K465-E468 WeakPolarHBondContact CD-OE2 3.26Å; K465-E468 WeakPolarHBondContact CE-OE2 3.3Å; K465-E468 IonicContact NZ-OE2 3.74Å; K465-E468 PolarHBondContact NZ-OE2 2.84Å; K465-L469 WeakPolarHBondContact O-CG 3.46Å; K465-L469 PolarHBondContact O-N 3.02Å
466	V	96.8	Very high	93.9	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-73.2	-39.8	170.5	171.7	0	0	0	0	110.4	I431 V434 A458 H463 L464 E468 L469 L470	I431-V466 HydrophobicContact CG1-CG2 3.97Å; V434-V466 HydrophobicContact CG1-CG1 4.21Å; V434-V466 HydrophobicContact CG2-CG1 3.94Å; V434-V466 HydrophobicContact CG2-CG2 4.09Å; A458-V466 HydrophobicContact CB-CB 4.17Å; A458-V466 HydrophobicContact CB-CG1 3.64Å; H463-V466 HydrophobicContact CB-CB 3.94Å; H463-V466 HydrophobicContact CB-CG2 4.1Å; H463-V466 WeakPolarHBondContact O-CA 3.34Å; H463-V466 WeakPolarHBondContact O-CB 3.28Å; H463-V466 PolarHBondContact O-N 2.68Å; L464-V466 VanDerWaalsContact C-N 3.32Å; L464-V466 PolarHBondContact O-N 3.49Å; V466-E468 PolarHBondContact O-N 2.99Å; V466-L469 PolarHBondContact O-N 2.89Å; V466-L470 HydrophobicContact CG1-CD1 3.74Å; V466-L470 HydrophobicContact CG1-CG 4.19Å; V466-L470 WeakPolarHBondContact O-CB 3.16Å; V466-L470 VanDerWaalsContact O-CG 3.26Å; V466-L470 WeakPolarHBondContact O-CG 3.27Å; V466-L470 PolarHBondContact O-N 2.92Å
467	V	95.9	Very high	93.7	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.4	-48.4	173.1	172.2	0	0	0	0	110.8	L455 A458 H463 L464 L469 L470 L471 I499 V502 L503	L455-V467 HydrophobicContact CD1-CB 4.39Å; L455-V467 HydrophobicContact CD1-CG1 3.95Å; L455-V467 HydrophobicContact CD1-CG2 4.29Å; A458-V467 HydrophobicContact CB-CG2 3.71Å; H463-V467 PolarHBondContact O-N 3.42Å; L464-V467 WeakPolarHBondContact O-CB 3.09Å; L464-V467 PolarHBondContact O-N 3.07Å; V467-L469 PolarHBondContact O-N 2.99Å; V467-L470 PolarHBondContact O-N 2.69Å; V467-L471 HydrophobicContact CG1-CD1 3.75Å; V467-L471 HydrophobicContact CG1-CG 4.36Å; V467-L471 VanDerWaalsContact O-CG 3.26Å; V467-L471 WeakPolarHBondContact O-CG 3.14Å; V467-L471 PolarHBondContact O-N 2.88Å; V467-I499 HydrophobicContact CG1-CG2 4.38Å; V467-I499 HydrophobicContact CG2-CD1 4.1Å; V467-I499 HydrophobicContact CG2-CG1 4.42Å; V467-I499 HydrophobicContact CG2-CG2 4.16Å; V467-V502 HydrophobicContact CG1-CG1 4.25Å; V467-L503 HydrophobicContact CG1-CD2 4.42Å
468	E	94.5	Very high	93.4	Very high	59 Å²	59	34.4 Å²	34.4	28%	0.276	17%	0.173	S	C	.	.	H	α-helix	trans	-55.6	-49.3	175.5	-72	179.5	-168.8	0	0	112.8	L464 K465 V466 L470 L471 Q472	L464-E468 PolarHBondContact O-N 3.39Å; K465-E468 HydrophobicContact CD-CB 4.36Å; K465-E468 WeakPolarHBondContact CD-OE2 3.26Å; K465-E468 WeakPolarHBondContact CE-OE2 3.3Å; K465-E468 IonicContact NZ-OE2 3.74Å; K465-E468 PolarHBondContact NZ-OE2 2.84Å; V466-E468 PolarHBondContact O-N 2.99Å; E468-L470 PolarHBondContact O-N 3.29Å; E468-L471 PolarHBondContact O-N 2.91Å; E468-Q472 WeakPolarHBondContact O-CB 3.37Å; E468-Q472 VanDerWaalsContact O-CG 3.25Å; E468-Q472 WeakPolarHBondContact O-CG 3.46Å; E468-Q472 PolarHBondContact O-N 3.25Å
469	L	94.1	Very high	92.9	Very high	15 Å²	15	34.5 Å²	34.5	8%	0.079	17%	0.174	C	C	.	.	H	α-helix	trans	-63.2	-41.8	179.8	-76.8	171.9	0	0	0	112.5	I431 V434 E435 L438 K465 V466 V467 Q472 H473	I431-L469 HydrophobicContact CG2-CD1 3.85Å; V434-L469 HydrophobicContact CG1-CB 4.21Å; V434-L469 HydrophobicContact CG1-CD1 4.24Å; E435-L469 HydrophobicContact CB-CD1 4.3Å; L438-L469 HydrophobicContact CD1-CB 4.25Å; K465-L469 WeakPolarHBondContact O-CG 3.46Å; K465-L469 PolarHBondContact O-N 3.02Å; V466-L469 PolarHBondContact O-N 2.89Å; V467-L469 PolarHBondContact O-N 2.99Å; L469-Q472 PolarHBondContact O-N 3.01Å; L469-H473 PolarHBondContact O-CD2 3.26Å; L469-H473 PolarHBondContact O-N 3.35Å
470	L	93.9	Very high	92.5	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-62.7	-44.5	177.1	-72.1	170.4	0	0	0	111.1	L422 L438 P444 P454 L455 A458 V466 V467 E468 H473 N474 A475	L422-L470 HydrophobicContact CD1-CD2 4.29Å; L422-L470 HydrophobicContact CD2-CD2 4.2Å; L422-L470 HydrophobicContact CG-CD2 4.37Å; L438-L470 HydrophobicContact CD1-CD2 4.24Å; L438-L470 HydrophobicContact CD2-CD2 4.24Å; P444-L470 HydrophobicContact CB-CD2 3.74Å; P454-L470 HydrophobicContact CB-CD1 4.11Å; P454-L470 HydrophobicContact CB-CD2 4.01Å; P454-L470 WeakPolarHBondContact O-CD1 3.41Å; L455-L470 HydrophobicContact CB-CD1 4.29Å; L455-L470 HydrophobicContact CD1-CB 4.31Å; L455-L470 HydrophobicContact CD1-CD1 4.35Å; A458-L470 HydrophobicContact CB-CD1 4.01Å; V466-L470 HydrophobicContact CG1-CD1 3.74Å; V466-L470 HydrophobicContact CG1-CG 4.19Å; V466-L470 WeakPolarHBondContact O-CB 3.16Å; V466-L470 VanDerWaalsContact O-CG 3.26Å; V466-L470 WeakPolarHBondContact O-CG 3.27Å; V466-L470 PolarHBondContact O-N 2.92Å; V467-L470 PolarHBondContact O-N 2.69Å; E468-L470 PolarHBondContact O-N 3.29Å; L470-H473 CarbonylContact O-C 3.58Å; L470-H473 PolarHBondContact O-N 3.25Å; L470-N474 PolarHBondContact O-N 3.21Å; L470-A475 HydrophobicContact CB-CB 3.91Å; L470-A475 WeakPolarHBondContact O-CB 3.28Å; L470-A475 PolarHBondContact O-N 3.19Å
471	L	92.1	Very high	92.1	Very high	8 Å²	8	34.4 Å²	34.4	4%	0.042	17%	0.174	C	C	.	.	H	α-helix	trans	-64.1	-44	177.2	-67.9	170.7	0	0	0	112	L455 V467 E468 H473 N474 V477 V502 N506	L455-L471 HydrophobicContact CD1-CG 4.48Å; L455-L471 HydrophobicContact CD2-CD2 4.15Å; V467-L471 HydrophobicContact CG1-CD1 3.75Å; V467-L471 HydrophobicContact CG1-CG 4.36Å; V467-L471 VanDerWaalsContact O-CG 3.26Å; V467-L471 WeakPolarHBondContact O-CG 3.14Å; V467-L471 PolarHBondContact O-N 2.88Å; E468-L471 PolarHBondContact O-N 2.91Å; L471-H473 VanDerWaalsContact C-N 3.26Å; L471-H473 PolarHBondContact O-N 3.1Å; L471-N474 PolarHBondContact O-N 3.16Å; L471-V477 HydrophobicContact CD2-CG2 3.69Å; L471-V502 HydrophobicContact CD1-CG1 3.68Å; L471-N506 HydrophobicContact CD1-CB 4.37Å
472	Q	90.6	Very high	91.7	Very high	125 Å²	125	35.8 Å²	35.8	58%	0.584	18%	0.177	S	C	*	.	H	α-helix	trans	-56.7	-39.7	174	-74.2	171.4	1.4	0	0	112	E468 L469 N474	E468-Q472 WeakPolarHBondContact O-CB 3.37Å; E468-Q472 VanDerWaalsContact O-CG 3.25Å; E468-Q472 WeakPolarHBondContact O-CG 3.46Å; E468-Q472 PolarHBondContact O-N 3.25Å; L469-Q472 PolarHBondContact O-N 3.01Å; Q472-N474 PolarHBondContact O-N 2.78Å
473	H	89.9	Confident	91.2	Very high	72 Å²	72	37.2 Å²	37.2	33%	0.333	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.1	22.1	174.2	-76.9	-92.7	0	0	0	114.7	L438 L469 L470 L471	L438-H473 HydrophobicContact CB-CB 4.28Å; L438-H473 HydrophobicContact CD1-CB 4.04Å; L438-H473 HydrophobicContact CD2-CB 3.87Å; L438-H473 HydrophobicContact CG-CB 4.28Å; L469-H473 PolarHBondContact O-CD2 3.26Å; L469-H473 PolarHBondContact O-N 3.35Å; L470-H473 CarbonylContact O-C 3.58Å; L470-H473 PolarHBondContact O-N 3.25Å; L471-H473 VanDerWaalsContact C-N 3.26Å; L471-H473 PolarHBondContact O-N 3.1Å
474	N	87.4	Confident	90.6	Very high	60 Å²	60	34.9 Å²	34.9	32%	0.321	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	65.6	41.6	172.6	-52.4	156.6	0	0	0	114.3	N445 L470 L471 Q472 R555 L657	N445-N474 PolarHBondContact ND2-O 2.95Å; L470-N474 PolarHBondContact O-N 3.21Å; L471-N474 PolarHBondContact O-N 3.16Å; Q472-N474 PolarHBondContact O-N 2.78Å; N474-R555 PolarHBondContact ND2-NH2 3.22Å; N474-R555 PolarHBondContact OD1-NH1 3.12Å; N474-L657 HydrophobicContact CB-CD2 3.67Å
475	A	90.3	Very high	90.4	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	15%	0.151	C	C	.	.			trans	-64.7	138.1	159.4	0	0	0	0	0	111.2	P444 N445 L455 L470 V477	P444-A475 HydrophobicContact CB-CB 4.04Å; P444-A475 HydrophobicContact CG-CB 4.2Å; N445-A475 WeakPolarHBondContact OD1-CA 3.48Å; L455-A475 HydrophobicContact CB-CB 4.37Å; L455-A475 HydrophobicContact CD2-CB 4Å; L470-A475 HydrophobicContact CB-CB 3.91Å; L470-A475 WeakPolarHBondContact O-CB 3.28Å; L470-A475 PolarHBondContact O-N 3.19Å; A475-V477 PolarHBondContact O-N 3.5Å
476	L	89.4	Confident	90.2	Very high	33 Å²	33	27.6 Å²	27.6	17%	0.173	13%	0.132	C	C	.	.			trans	-82.8	114.1	-175.6	-63.2	175	0	0	0	110.9	N445 N478 T479 L657 L658	N445-L476 HydrophobicContact CB-CD1 4.32Å; N445-L476 WeakPolarHBondContact OD1-CB 3.49Å; N445-L476 VanDerWaalsContact OD1-CG 3.3Å; N445-L476 WeakPolarHBondContact OD1-CG 3.49Å; N445-L476 PolarHBondContact OD1-N 3.16Å; L476-N478 VanDerWaalsContact C-N 3.31Å; L476-N478 PolarHBondContact O-N 3.13Å; L476-T479 WeakPolarHBondContact CB-OG1 3.17Å; L476-T479 WeakPolarHBondContact CD1-OG1 3.34Å; L476-T479 PolarHBondContact O-N 3.03Å; L476-L657 VanDerWaalsContact CA-O 3.3Å; L476-L657 WeakPolarHBondContact CA-O 3.41Å; L476-L657 VanDerWaalsContact CD2-C 3.44Å; L476-L657 HydrophobicContact CD2-CB 4.29Å; L476-L657 VanDerWaalsContact CD2-O 3.26Å; L476-L657 WeakPolarHBondContact CD2-O 3.18Å; L476-L658 WeakPolarHBondContact CD2-O 3.26Å
477	V	91.8	Very high	90.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-33.3	-168.5	-163.2	0	0	0	0	112.6	L471 A475 P487 L503 N506 A508 L657	L471-V477 HydrophobicContact CD2-CG2 3.69Å; A475-V477 PolarHBondContact O-N 3.5Å; V477-P487 WeakPolarHBondContact O-CD 3.44Å; V477-L503 HydrophobicContact CG1-CD2 3.93Å; V477-N506 HydrophobicContact CG2-CB 4.21Å; V477-N506 WeakPolarHBondContact CG2-O 3.35Å; V477-A508 HydrophobicContact CG1-CB 3.72Å; V477-L657 HydrophobicContact CG2-CB 4.35Å; V477-L657 PolarHBondContact N-O 3.21Å
478	N	88.6	Confident	90	Very high	3 Å²	3	27.6 Å²	27.6	2%	0.016	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.3	14.9	-174	-71.1	-49	0	0	0	114	L476 G507 A508 S509 L658 P659 Y712	L476-N478 VanDerWaalsContact C-N 3.31Å; L476-N478 PolarHBondContact O-N 3.13Å; N478-G507 PolarHBondContact ND2-O 3.24Å; N478-A508 WeakPolarHBondContact OD1-CA 3.31Å; N478-S509 PolarHBondContact OD1-N 2.98Å; N478-L658 HydrophobicContact CB-CD2 4.11Å; N478-L658 WeakPolarHBondContact ND2-CD2 3.45Å; N478-P659 HydrophobicContact CB-CG 4.36Å; N478-P659 WeakPolarHBondContact O-CG 3.5Å; N478-Y712 HydrophobicContact CB-CE2 3.8Å
479	T	86.5	Confident	90	Very high	2 Å²	2	24.8 Å²	24.8	1%	0.012	12%	0.118	C	C	.	.			trans	-66.5	137.3	175.3	-81.5	0	0	0	0	111.4	T453 H456 L476 P487	T453-T479 HydrophobicContact CG2-CG2 4.04Å; H456-T479 PolarHBondContact CE1-O 3.27Å; H456-T479 VanDerWaalsContact CE1-O 3.24Å; H456-T479 PolarHBondContact NE2-O 3.29Å; L476-T479 WeakPolarHBondContact CB-OG1 3.17Å; L476-T479 WeakPolarHBondContact CD1-OG1 3.34Å; L476-T479 PolarHBondContact O-N 3.03Å; T479-P487 WeakPolarHBondContact O-CD 3.48Å
480	T	87	Confident	90	Very high	9 Å²	9	24.1 Å²	24.1	6%	0.055	12%	0.115	C	C	.	.			trans	-84.5	133.1	180	49.2	0	0	0	0	112.6	K447 N484 V710	K447-T480 VanDerWaalsContact CE-O 3.26Å; K447-T480 WeakPolarHBondContact CE-O 3.46Å; K447-T480 PolarHBondContact NZ-O 2.97Å; T480-N484 HydrophobicContact CG2-CB 3.93Å; T480-V710 HydrophobicContact CG2-CG2 3.94Å
481	G	86.7	Confident	90.1	Very high	8 Å²	8	24.1 Å²	24.1	8%	0.082	12%	0.115	C	C	.	.			trans	-102.9	-147.4	-179.4	0	0	0	0	0	114.2	G451 H456 N484 D485	G451-G481 WeakPolarHBondContact O-CA 3.34Å; H456-G481 WeakPolarHBondContact NE2-CA 3.43Å; H456-G481 PolarHBondContact NE2-N 2.78Å; G481-N484 PolarHBondContact O-N 2.81Å; G481-N484 VanDerWaalsContact O-N 3.12Å; G481-D485 PolarHBondContact N-O 3.17Å
482	Y	86.1	Confident	90.2	Very high	119 Å²	119	23.9 Å²	23.9	47%	0.467	11%	0.114	S	C	.	.	G	3₁₀ helix	trans	-58.5	138.6	170.5	-178.5	-115.3	0	0	0	110	A450 N484 D485	A450-Y482 HydrophobicContact CB-CD2 4.43Å; Y482-N484 PolarHBondContact O-N 3.1Å; Y482-D485 PolarHBondContact O-N 3.43Å
483	Q	85.8	Confident	90.3	Very high	56 Å²	56	21.8 Å²	21.8	26%	0.262	10%	0.103	S	C	.	.	G	3₁₀ helix	trans	55.9	14.3	-174.8	-61.6	175.8	-14.3	0	0	114.6	D485 N514 I515 F516	Q483-D485 PolarHBondContact O-N 3.05Å; Q483-N514 WeakPolarHBondContact O-CB 3.44Å; Q483-I515 HydrophobicContact CB-CD1 3.75Å; Q483-I515 HydrophobicContact CB-CG1 3.99Å; Q483-I515 HydrophobicContact CG-CD1 3.78Å; Q483-I515 WeakPolarHBondContact O-CG1 3Å; Q483-I515 WeakPolarHBondContact O-CG2 3.31Å; Q483-I515 PolarHBondContact O-N 3.34Å; Q483-F516 HydrophobicContact CB-CE2 4.29Å; Q483-F516 HydrophobicContact CG-CE2 4.29Å
484	N	84.1	Confident	90.5	Very high	5 Å²	5	22.1 Å²	22.1	3%	0.027	11%	0.107	C	C	.	.	G	3₁₀ helix	trans	53.9	22.8	-167.1	-50.3	-73	0	0	0	114.9	T480 G481 Y482 I515 N708 T709 V710	T480-N484 HydrophobicContact CG2-CB 3.93Å; G481-N484 PolarHBondContact O-N 2.81Å; G481-N484 VanDerWaalsContact O-N 3.12Å; Y482-N484 PolarHBondContact O-N 3.1Å; N484-I515 HydrophobicContact CB-CG2 4.43Å; N484-I515 WeakPolarHBondContact ND2-CG2 3.3Å; N484-N708 PolarHBondContact ND2-O 2.98Å; N484-T709 WeakPolarHBondContact ND2-CA 3.23Å; N484-V710 HydrophobicContact CB-CG1 4.47Å; N484-V710 HydrophobicContact CB-CG2 3.77Å; N484-V710 PolarHBondContact ND2-N 3.09Å; N484-V710 PolarHBondContact OD1-N 2.94Å
485	D	90	Very high	90.7	Very high	1 Å²	1	20.9 Å²	20.9	1%	0.005	11%	0.109	C	C	.	.			trans	-55.7	143.5	158.4	-77.3	-10.9	0	0	0	108.2	H456 G481 Y482 Q483 H489 K493 N514	H456-D485 PolarHBondContact NE2-O 2.97Å; G481-D485 PolarHBondContact N-O 3.17Å; Y482-D485 PolarHBondContact O-N 3.43Å; Q483-D485 PolarHBondContact O-N 3.05Å; D485-H489 HydrophobicContact CB-CB 3.81Å; D485-H489 IonicContact OD1-CD2 3.78Å; D485-K493 IonicContact OD2-NZ 2.76Å; D485-K493 PolarHBondContact OD2-NZ 3.32Å; D485-N514 WeakPolarHBondContact OD1-CB 3.41Å; D485-N514 PolarHBondContact OD1-ND2 3.25Å
486	T	92.2	Very high	90.9	Very high	4 Å²	4	23.4 Å²	23.4	3%	0.025	12%	0.12	C	C	.	.			trans	-99.1	167.5	172.7	67.2	0	0	0	0	109.8	L488 H489 D490 A512	T486-L488 PolarHBondContact O-N 3.33Å; T486-H489 PolarHBondContact N-ND1 3.07Å; T486-H489 VanDerWaalsContact N-ND1 3.17Å; T486-H489 WeakPolarHBondContact O-CA 3.32Å; T486-H489 WeakPolarHBondContact O-CB 3.33Å; T486-H489 PolarHBondContact O-N 3.48Å; T486-H489 PolarHBondContact OG1-ND1 3.47Å; T486-D490 PolarHBondContact O-N 3.47Å; T486-D490 VanDerWaalsContact O-N 3.13Å; T486-A512 HydrophobicContact CG2-CB 4.06Å
487	P	94.8	Very high	91.1	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-54.6	-26.5	174.5	-26.9	35.2	0	0	0	113.8	L455 H456 C459 V477 T479 A491 L503	L455-P487 HydrophobicContact CD2-CB 4.2Å; L455-P487 HydrophobicContact CD2-CG 3.86Å; L455-P487 HydrophobicContact CG-CB 3.99Å; L455-P487 HydrophobicContact CG-CG 3.93Å; H456-P487 WeakPolarHBondContact NE2-CD 3.47Å; C459-P487 HydrophobicContact CB-CB 4.34Å; C459-P487 WeakPolarHBondContact CB-O 3.29Å; V477-P487 WeakPolarHBondContact O-CD 3.44Å; T479-P487 WeakPolarHBondContact O-CD 3.48Å; P487-A491 VanDerWaalsContact O-CB 3.29Å; P487-A491 WeakPolarHBondContact O-CB 3.5Å; P487-A491 PolarHBondContact O-N 3.49Å; P487-L503 HydrophobicContact CB-CD1 4.31Å; P487-L503 HydrophobicContact CB-CD2 4.3Å; P487-L503 WeakPolarHBondContact O-CD1 3.45Å
488	L	94.8	Very high	91.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-71.1	-39.5	172.9	-173.7	64.1	0	0	0	112.3	T486 V492 V500 L503 L504 A508 P520 L533	T486-L488 PolarHBondContact O-N 3.33Å; L488-V492 HydrophobicContact CD1-CG2 4.21Å; L488-V492 HydrophobicContact CG-CG2 4.4Å; L488-V492 WeakPolarHBondContact O-CB 3.3Å; L488-V492 WeakPolarHBondContact O-CG2 3.41Å; L488-V492 PolarHBondContact O-N 2.96Å; L488-V500 HydrophobicContact CD1-CB 4.43Å; L488-V500 HydrophobicContact CD1-CG1 3.98Å; L488-V500 HydrophobicContact CD1-CG2 4.38Å; L488-L503 HydrophobicContact CB-CD1 4.3Å; L488-L503 HydrophobicContact CD1-CB 4.2Å; L488-L503 HydrophobicContact CD1-CD1 4.21Å; L488-L504 HydrophobicContact CD1-CD2 4.29Å; L488-L504 HydrophobicContact CD1-CG 4.29Å; L488-L504 HydrophobicContact CD2-CD2 3.95Å; L488-A508 HydrophobicContact CB-CB 4.2Å; L488-A508 HydrophobicContact CD1-CB 4.42Å; L488-A508 HydrophobicContact CD2-CB 3.9Å; L488-A508 HydrophobicContact CG-CB 4.41Å; L488-P520 HydrophobicContact CB-CG 4.48Å; L488-P520 HydrophobicContact CD2-CB 4.18Å; L488-P520 HydrophobicContact CD2-CG 3.89Å; L488-P520 HydrophobicContact CG-CB 4.01Å; L488-P520 HydrophobicContact CG-CG 4.04Å; L488-L533 HydrophobicContact CD1-CD2 4.35Å; L488-L533 HydrophobicContact CD2-CD2 4.12Å; L488-L533 HydrophobicContact CG-CD2 4.45Å
489	H	94.4	Very high	91.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.2	-50.5	172.6	-68.6	77.6	0	0	0	110.3	D485 T486 A491 V492 K493 A512 V518 P520 Y523	D485-H489 HydrophobicContact CB-CB 3.81Å; D485-H489 IonicContact OD1-CD2 3.78Å; T486-H489 PolarHBondContact N-ND1 3.07Å; T486-H489 VanDerWaalsContact N-ND1 3.17Å; T486-H489 WeakPolarHBondContact O-CA 3.32Å; T486-H489 WeakPolarHBondContact O-CB 3.33Å; T486-H489 PolarHBondContact O-N 3.48Å; T486-H489 PolarHBondContact OG1-ND1 3.47Å; H489-A491 PolarHBondContact O-N 2.91Å; H489-V492 PolarHBondContact O-N 3.22Å; H489-K493 WeakPolarHBondContact O-CB 3.37Å; H489-K493 PolarHBondContact O-N 3.21Å; H489-A512 PolarHBondContact CE1-O 2.98Å; H489-V518 PolarHBondContact NE2-O 2.82Å; H489-P520 WeakPolarHBondContact NE2-CD 3.48Å; H489-Y523 AromaticContact CD2-CD2 3.91Å; H489-Y523 AromaticContact CD2-CE2 3.77Å
490	D	94.2	Very high	91.9	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.011	15%	0.145	C	C	.	.	H	α-helix	trans	-64.9	-37	-179.4	-74.7	-41.8	0	0	0	112.8	W452 H456 T486 K493 N494	W452-D490 PolarHBondContact NE1-OD2 3.06Å; H456-D490 IonicContact CD2-OD2 3.44Å; H456-D490 PolarHBondContact CD2-OD2 3.32Å; T486-D490 PolarHBondContact O-N 3.47Å; T486-D490 VanDerWaalsContact O-N 3.13Å; D490-K493 IonicContact OD1-NZ 3.6Å; D490-K493 PolarHBondContact OD1-NZ 3.45Å; D490-N494 PolarHBondContact O-N 2.98Å; D490-N494 PolarHBondContact O-ND2 3.49Å
491	A	95.1	Very high	92.2	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-64.7	-42.8	174.2	0	0	0	0	0	112.7	C459 P487 H489 G495 H496 I499 V500 L503	C459-A491 HydrophobicContact CB-CB 4.18Å; P487-A491 VanDerWaalsContact O-CB 3.29Å; P487-A491 WeakPolarHBondContact O-CB 3.5Å; P487-A491 PolarHBondContact O-N 3.49Å; H489-A491 PolarHBondContact O-N 2.91Å; A491-G495 PolarHBondContact O-N 2.93Å; A491-H496 PolarHBondContact O-N 3.04Å; A491-I499 HydrophobicContact CB-CB 4.25Å; A491-I499 HydrophobicContact CB-CG2 3.63Å; A491-V500 HydrophobicContact CB-CG2 3.89Å; A491-L503 HydrophobicContact CB-CD1 3.86Å
492	V	95	Very high	92.5	Very high	3 Å²	3	34 Å²	34	2%	0.018	17%	0.168	C	C	.	.	H	α-helix	trans	-70.2	-48.5	-178.5	172.6	0	0	0	0	111.6	L488 H489 N494 G495 V500 P520 T524 I529 L533	L488-V492 HydrophobicContact CD1-CG2 4.21Å; L488-V492 HydrophobicContact CG-CG2 4.4Å; L488-V492 WeakPolarHBondContact O-CB 3.3Å; L488-V492 WeakPolarHBondContact O-CG2 3.41Å; L488-V492 PolarHBondContact O-N 2.96Å; H489-V492 PolarHBondContact O-N 3.22Å; V492-N494 PolarHBondContact O-N 2.8Å; V492-G495 PolarHBondContact O-N 3.44Å; V492-V500 HydrophobicContact CB-CG2 4.43Å; V492-V500 HydrophobicContact CG2-CG1 4.31Å; V492-V500 HydrophobicContact CG2-CG2 3.52Å; V492-P520 WeakPolarHBondContact CG1-O 2.97Å; V492-P520 HydrophobicContact CG2-CB 4.21Å; V492-T524 HydrophobicContact CG1-CG2 3.34Å; V492-I529 HydrophobicContact CB-CG2 4.32Å; V492-I529 HydrophobicContact CG1-CG2 3.85Å; V492-I529 HydrophobicContact CG2-CG2 3.87Å; V492-L533 HydrophobicContact CG1-CD1 4Å; V492-L533 HydrophobicContact CG2-CD1 3.72Å; V492-L533 HydrophobicContact CG2-CD2 4.47Å
493	K	93	Very high	92.8	Very high	81 Å²	81	28.3 Å²	28.3	35%	0.352	15%	0.146	S	C	.	.	H	α-helix	trans	-57.8	-26.8	178.4	177.5	179.6	175.6	-170.1	0	114	D485 H489 D490 Y523	D485-K493 IonicContact OD2-NZ 2.76Å; D485-K493 PolarHBondContact OD2-NZ 3.32Å; H489-K493 WeakPolarHBondContact O-CB 3.37Å; H489-K493 PolarHBondContact O-N 3.21Å; D490-K493 IonicContact OD1-NZ 3.6Å; D490-K493 PolarHBondContact OD1-NZ 3.45Å; K493-Y523 HydrophobicContact CB-CD1 3.95Å; K493-Y523 HydrophobicContact CB-CG 4.19Å; K493-Y523 HydrophobicContact CD-CD1 3.84Å; K493-Y523 HydrophobicContact CD-CE1 3.86Å; K493-Y523 HydrophobicContact CG-CD1 3.73Å; K493-Y523 HydrophobicContact CG-CE1 4.2Å; K493-Y523 HydrophobicContact CG-CG 4.46Å
494	N	92.6	Very high	93.1	Very high	78 Å²	78	27.5 Å²	27.5	42%	0.417	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.1	3.8	174.7	-65.2	-75.6	0	0	0	113.5	S460 D490 V492 H496	S460-N494 PolarHBondContact OG-ND2 2.85Å; D490-N494 PolarHBondContact O-N 2.98Å; D490-N494 PolarHBondContact O-ND2 3.49Å; V492-N494 PolarHBondContact O-N 2.8Å; N494-H496 VanDerWaalsContact CB-CD2 3.5Å; N494-H496 WeakPolarHBondContact CB-CD2 3.48Å; N494-H496 VanDerWaalsContact CB-NE2 3.35Å; N494-H496 WeakPolarHBondContact CB-NE2 3.34Å
495	G	92.3	Very high	93.3	Very high	35 Å²	35	32 Å²	32	36%	0.361	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.8	12.8	171.1	0	0	0	0	0	116.7	A491 V492 V497	A491-G495 PolarHBondContact O-N 2.93Å; V492-G495 PolarHBondContact O-N 3.44Å; G495-V497 PolarHBondContact O-N 2.88Å
496	H	94.8	Very high	93.1	Very high	53 Å²	53	35.4 Å²	35.4	25%	0.245	19%	0.193	C	C	.	.			trans	-81.8	74.3	-169.4	-59.4	-60.5	0	0	0	113.3	C459 S460 G462 A491 N494 D498 I499 V500	C459-H496 PolarHBondContact O-CD2 2.88Å; S460-H496 PolarHBondContact O-NE2 2.78Å; G462-H496 WeakPolarHBondContact CA-CE1 3.3Å; G462-H496 WeakPolarHBondContact CA-ND1 3.08Å; G462-H496 PolarHBondContact N-NE2 3.3Å; A491-H496 PolarHBondContact O-N 3.04Å; N494-H496 VanDerWaalsContact CB-CD2 3.5Å; N494-H496 WeakPolarHBondContact CB-CD2 3.48Å; N494-H496 VanDerWaalsContact CB-NE2 3.35Å; N494-H496 WeakPolarHBondContact CB-NE2 3.34Å; H496-D498 VanDerWaalsContact C-N 3.31Å; H496-D498 PolarHBondContact O-N 3.13Å; H496-D498 VanDerWaalsContact O-N 3.14Å; H496-I499 HydrophobicContact CB-CB 3.99Å; H496-I499 HydrophobicContact CB-CD1 4Å; H496-I499 HydrophobicContact CB-CG1 4.18Å; H496-I499 WeakPolarHBondContact O-CB 3.43Å; H496-I499 PolarHBondContact O-N 3.01Å; H496-V500 PolarHBondContact O-N 3.24Å
497	V	93.6	Very high	92.8	Very high	39 Å²	39	37.5 Å²	37.5	24%	0.236	22%	0.216	C	C	.	.	H	α-helix	trans	-46.9	-45.2	-173.2	-166.9	0	0	0	0	114.1	G495 V500 R501 I529 L532	G495-V497 PolarHBondContact O-N 2.88Å; V497-V500 WeakPolarHBondContact O-CB 3.25Å; V497-V500 PolarHBondContact O-N 2.92Å; V497-R501 PolarHBondContact O-N 3.29Å; V497-I529 HydrophobicContact CG2-CD1 4.07Å; V497-I529 HydrophobicContact CG2-CG1 3.88Å; V497-L532 HydrophobicContact CG1-CD1 3.84Å
498	D	94.1	Very high	92.5	Very high	87 Å²	87	37.9 Å²	37.9	47%	0.465	22%	0.219	S	C	.	.	H	α-helix	trans	-77.4	-28.2	-176.4	-63.1	-50.8	0	0	0	113.1	L464 H496 R501 V502	L464-D498 HydrophobicContact CD1-CB 4.33Å; L464-D498 HydrophobicContact CD2-CB 4.11Å; H496-D498 VanDerWaalsContact C-N 3.31Å; H496-D498 PolarHBondContact O-N 3.13Å; H496-D498 VanDerWaalsContact O-N 3.14Å; D498-R501 WeakPolarHBondContact O-CB 3.15Å; D498-R501 PolarHBondContact O-N 3.16Å; D498-R501 IonicContact OD1-CZ 2.66Å; D498-R501 IonicContact OD1-NE 3.87Å; D498-R501 IonicContact OD1-NH2 3.12Å; D498-R501 PolarHBondContact OD1-NH2 2.85Å; D498-V502 WeakPolarHBondContact O-CG2 3.32Å; D498-V502 PolarHBondContact O-N 3.45Å
499	I	95.6	Very high	92.1	Very high	4 Å²	4	39.6 Å²	39.6	2%	0.021	23%	0.231	C	C	.	.	H	α-helix	trans	-67.5	-42.5	168.9	-65.4	-178.6	0	0	0	109.6	C459 G462 L464 V467 A491 H496 R501 V502 L503	C459-I499 HydrophobicContact CB-CG2 4.17Å; G462-I499 VanDerWaalsContact C-CD1 3.48Å; L464-I499 HydrophobicContact CB-CG1 4.15Å; L464-I499 HydrophobicContact CD1-CG1 3.76Å; V467-I499 HydrophobicContact CG1-CG2 4.38Å; V467-I499 HydrophobicContact CG2-CD1 4.1Å; V467-I499 HydrophobicContact CG2-CG1 4.42Å; V467-I499 HydrophobicContact CG2-CG2 4.16Å; A491-I499 HydrophobicContact CB-CB 4.25Å; A491-I499 HydrophobicContact CB-CG2 3.63Å; H496-I499 HydrophobicContact CB-CB 3.99Å; H496-I499 HydrophobicContact CB-CD1 4Å; H496-I499 HydrophobicContact CB-CG1 4.18Å; H496-I499 WeakPolarHBondContact O-CB 3.43Å; H496-I499 PolarHBondContact O-N 3.01Å; I499-R501 VanDerWaalsContact C-N 3.3Å; I499-R501 PolarHBondContact O-N 3.24Å; I499-V502 PolarHBondContact O-N 2.88Å; I499-L503 HydrophobicContact CG2-CD1 3.81Å; I499-L503 HydrophobicContact CG2-CG 4.1Å; I499-L503 WeakPolarHBondContact O-CB 3.38Å; I499-L503 VanDerWaalsContact O-CG 3.26Å; I499-L503 WeakPolarHBondContact O-CG 3.38Å; I499-L503 PolarHBondContact O-N 3.17Å
500	V	94.3	Very high	91.8	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-56.3	-46.1	173.1	172.9	0	0	0	0	110.5	L488 A491 V492 H496 V497 L503 L504 I529 L533	L488-V500 HydrophobicContact CD1-CB 4.43Å; L488-V500 HydrophobicContact CD1-CG1 3.98Å; L488-V500 HydrophobicContact CD1-CG2 4.38Å; A491-V500 HydrophobicContact CB-CG2 3.89Å; V492-V500 HydrophobicContact CB-CG2 4.43Å; V492-V500 HydrophobicContact CG2-CG1 4.31Å; V492-V500 HydrophobicContact CG2-CG2 3.52Å; H496-V500 PolarHBondContact O-N 3.24Å; V497-V500 WeakPolarHBondContact O-CB 3.25Å; V497-V500 PolarHBondContact O-N 2.92Å; V500-L503 PolarHBondContact O-N 2.77Å; V500-L504 HydrophobicContact CG1-CD1 3.74Å; V500-L504 HydrophobicContact CG1-CG 4.3Å; V500-L504 WeakPolarHBondContact O-CB 3.37Å; V500-L504 WeakPolarHBondContact O-CG 3.43Å; V500-L504 PolarHBondContact O-N 3.29Å; V500-I529 HydrophobicContact CG1-CG2 4.2Å; V500-I529 HydrophobicContact CG2-CG2 4.19Å; V500-L533 HydrophobicContact CG1-CD2 4.4Å
501	R	92.6	Very high	91.4	Very high	117 Å²	117	46.4 Å²	46.4	44%	0.442	26%	0.263	S	S	.	.	H	α-helix	trans	-57.8	-50.7	175.4	-167	-169	-48.4	-73	-3.6	112.2	V497 D498 I499 L504 S505	V497-R501 PolarHBondContact O-N 3.29Å; D498-R501 WeakPolarHBondContact O-CB 3.15Å; D498-R501 PolarHBondContact O-N 3.16Å; D498-R501 IonicContact OD1-CZ 2.66Å; D498-R501 IonicContact OD1-NE 3.87Å; D498-R501 IonicContact OD1-NH2 3.12Å; D498-R501 PolarHBondContact OD1-NH2 2.85Å; I499-R501 VanDerWaalsContact C-N 3.3Å; I499-R501 PolarHBondContact O-N 3.24Å; R501-L504 PolarHBondContact O-N 3.09Å; R501-S505 WeakPolarHBondContact O-CB 3.33Å; R501-S505 PolarHBondContact O-N 3.34Å; R501-S505 PolarHBondContact O-OG 2.85Å; R501-S505 VanDerWaalsContact O-OG 3.07Å
502	V	93.8	Very high	90.9	Very high	30 Å²	30	46.9 Å²	46.9	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-62.4	-44.2	179.9	167.8	0	0	0	0	111.8	L464 V467 L471 D498 I499 S505 N506	L464-V502 HydrophobicContact CD1-CB 4.43Å; L464-V502 HydrophobicContact CD1-CG2 3.87Å; V467-V502 HydrophobicContact CG1-CG1 4.25Å; L471-V502 HydrophobicContact CD1-CG1 3.68Å; D498-V502 WeakPolarHBondContact O-CG2 3.32Å; D498-V502 PolarHBondContact O-N 3.45Å; I499-V502 PolarHBondContact O-N 2.88Å; V502-S505 PolarHBondContact O-N 3.47Å; V502-N506 PolarHBondContact O-N 3.38Å; V502-N506 VanDerWaalsContact O-N 3.09Å; V502-N506 PolarHBondContact O-ND2 2.9Å
503	L	92.6	Very high	90.3	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-46.6	177.3	-72	174.3	0	0	0	111.7	V467 V477 P487 L488 A491 I499 V500 S505 N506 G507 A508	V467-L503 HydrophobicContact CG1-CD2 4.42Å; V477-L503 HydrophobicContact CG1-CD2 3.93Å; P487-L503 HydrophobicContact CB-CD1 4.31Å; P487-L503 HydrophobicContact CB-CD2 4.3Å; P487-L503 WeakPolarHBondContact O-CD1 3.45Å; L488-L503 HydrophobicContact CB-CD1 4.3Å; L488-L503 HydrophobicContact CD1-CB 4.2Å; L488-L503 HydrophobicContact CD1-CD1 4.21Å; A491-L503 HydrophobicContact CB-CD1 3.86Å; I499-L503 HydrophobicContact CG2-CD1 3.81Å; I499-L503 HydrophobicContact CG2-CG 4.1Å; I499-L503 WeakPolarHBondContact O-CB 3.38Å; I499-L503 VanDerWaalsContact O-CG 3.26Å; I499-L503 WeakPolarHBondContact O-CG 3.38Å; I499-L503 PolarHBondContact O-N 3.17Å; V500-L503 PolarHBondContact O-N 2.77Å; L503-S505 PolarHBondContact O-N 3.06Å; L503-N506 CarbonylContact O-C 3.39Å; L503-N506 WeakPolarHBondContact O-CA 3.32Å; L503-N506 PolarHBondContact O-N 3.07Å; L503-G507 PolarHBondContact O-N 3.35Å; L503-A508 VanDerWaalsContact C-CB 3.47Å; L503-A508 HydrophobicContact CB-CB 3.83Å; L503-A508 WeakPolarHBondContact O-CB 3.46Å; L503-A508 PolarHBondContact O-N 3.32Å
504	L	90.9	Very high	89.9	Confident	38 Å²	38	45 Å²	45	20%	0.199	26%	0.262	C	S	.	.	H	α-helix	trans	-62	-42.3	177	-68.3	172.5	0	0	0	111.8	L488 V500 R501 N506 G507 R510 L532 L533	L488-L504 HydrophobicContact CD1-CD2 4.29Å; L488-L504 HydrophobicContact CD1-CG 4.29Å; L488-L504 HydrophobicContact CD2-CD2 3.95Å; V500-L504 HydrophobicContact CG1-CD1 3.74Å; V500-L504 HydrophobicContact CG1-CG 4.3Å; V500-L504 WeakPolarHBondContact O-CB 3.37Å; V500-L504 WeakPolarHBondContact O-CG 3.43Å; V500-L504 PolarHBondContact O-N 3.29Å; R501-L504 PolarHBondContact O-N 3.09Å; L504-N506 PolarHBondContact O-N 2.74Å; L504-G507 PolarHBondContact O-N 2.88Å; L504-R510 HydrophobicContact CD2-CG 3.35Å; L504-L532 HydrophobicContact CD1-CB 4.4Å; L504-L533 HydrophobicContact CD1-CD2 4.3Å; L504-L533 HydrophobicContact CD2-CD2 4.29Å
505	S	89.3	Confident	89.3	Confident	100 Å²	100	42.9 Å²	42.9	70%	0.699	25%	0.251	S	S	*	.	H	α-helix	trans	-64.7	-17.4	173.9	-61.7	0	0	0	0	114.1	R501 V502 L503	R501-S505 WeakPolarHBondContact O-CB 3.33Å; R501-S505 PolarHBondContact O-N 3.34Å; R501-S505 PolarHBondContact O-OG 2.85Å; R501-S505 VanDerWaalsContact O-OG 3.07Å; V502-S505 PolarHBondContact O-N 3.47Å; L503-S505 PolarHBondContact O-N 3.06Å
506	N	86.1	Confident	88.8	Confident	73 Å²	73	47.1 Å²	47.1	39%	0.39	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	18.1	173.6	-73.3	-97.8	0	0	0	112.5	L471 V477 V502 L503 L504	L471-N506 HydrophobicContact CD1-CB 4.37Å; V477-N506 HydrophobicContact CG2-CB 4.21Å; V477-N506 WeakPolarHBondContact CG2-O 3.35Å; V502-N506 PolarHBondContact O-N 3.38Å; V502-N506 VanDerWaalsContact O-N 3.09Å; V502-N506 PolarHBondContact O-ND2 2.9Å; L503-N506 CarbonylContact O-C 3.39Å; L503-N506 WeakPolarHBondContact O-CA 3.32Å; L503-N506 PolarHBondContact O-N 3.07Å; L504-N506 PolarHBondContact O-N 2.74Å
507	G	84.6	Confident	88.3	Confident	48 Å²	48	46.8 Å²	46.8	50%	0.495	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	84	24.4	172.9	0	0	0	0	0	115.6	N478 L503 L504 S509	N478-G507 PolarHBondContact ND2-O 3.24Å; L503-G507 PolarHBondContact O-N 3.35Å; L504-G507 PolarHBondContact O-N 2.88Å; G507-S509 PolarHBondContact O-N 3.29Å
508	A	88.5	Confident	87.9	Confident	7 Å²	7	46.9 Å²	46.9	6%	0.058	27%	0.271	C	S	.	.			trans	-62.3	130.4	173.6	0	0	0	0	0	112.3	V477 N478 L488 L503 R510	V477-A508 HydrophobicContact CG1-CB 3.72Å; N478-A508 WeakPolarHBondContact OD1-CA 3.31Å; L488-A508 HydrophobicContact CB-CB 4.2Å; L488-A508 HydrophobicContact CD1-CB 4.42Å; L488-A508 HydrophobicContact CD2-CB 3.9Å; L488-A508 HydrophobicContact CG-CB 4.41Å; L503-A508 VanDerWaalsContact C-CB 3.47Å; L503-A508 HydrophobicContact CB-CB 3.83Å; L503-A508 WeakPolarHBondContact O-CB 3.46Å; L503-A508 PolarHBondContact O-N 3.32Å; A508-R510 PolarHBondContact O-N 3.44Å
509	S	86.3	Confident	87.8	Confident	37 Å²	37	46.5 Å²	46.5	26%	0.259	26%	0.263	S	S	.	.			trans	-76.6	110	-176.2	-179	0	0	0	0	111.4	N478 G507 N511 A512	N478-S509 PolarHBondContact OD1-N 2.98Å; G507-S509 PolarHBondContact O-N 3.29Å; S509-N511 PolarHBondContact O-N 2.96Å; S509-A512 WeakPolarHBondContact O-CB 3.5Å; S509-A512 PolarHBondContact O-N 2.94Å; S509-A512 PolarHBondContact OG-N 3.17Å
510	R	88.1	Confident	87.5	Confident	51 Å²	51	46.3 Å²	46.3	19%	0.192	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-18.8	178	-59.3	163.4	71.5	171.8	1.6	112.9	L504 A508 L532 L533 L535	L504-R510 HydrophobicContact CD2-CG 3.35Å; A508-R510 PolarHBondContact O-N 3.44Å; R510-L532 PolarHBondContact NH2-O 2.87Å; R510-L533 PolarHBondContact NE-O 3.17Å; R510-L533 PolarHBondContact NH2-O 3.42Å; R510-L535 PolarHBondContact NH1-O 3.3Å; R510-L535 VanDerWaalsContact NH2-N 3.12Å; R510-L535 PolarHBondContact NH2-O 3.33Å
511	N	85.6	Confident	87.3	Confident	93 Å²	93	46.5 Å²	46.5	50%	0.497	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112	8.4	-175.9	-59.8	-20.7	0	0	0	112.4	S509 V513 R519	S509-N511 PolarHBondContact O-N 2.96Å; N511-V513 PolarHBondContact O-N 2.91Å; N511-R519 PolarHBondContact OD1-NH2 3.11Å
512	A	84.5	Confident	87.1	Confident	11 Å²	11	45 Å²	45	9%	0.091	26%	0.264	C	S	.	.			trans	-58.8	136.8	168.5	0	0	0	0	0	110	T486 H489 S509 P520	T486-A512 HydrophobicContact CG2-CB 4.06Å; H489-A512 PolarHBondContact CE1-O 2.98Å; S509-A512 WeakPolarHBondContact O-CB 3.5Å; S509-A512 PolarHBondContact O-N 2.94Å; S509-A512 PolarHBondContact OG-N 3.17Å; A512-P520 WeakPolarHBondContact O-CD 3.3Å
513	V	84	Confident	86.8	Confident	43 Å²	43	46.7 Å²	46.7	26%	0.261	27%	0.268	S	S	.	.			trans	-116	139	174.5	-71.6	0	0	0	0	110.5	N511 V518 R519	N511-V513 PolarHBondContact O-N 2.91Å; V513-V518 WeakPolarHBondContact CA-O 3.3Å; V513-R519 HydrophobicContact CG1-CG 3.66Å
514	N	84.8	Confident	86.5	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	27%	0.271	C	S	.	.			trans	-85.4	-171.9	175.4	76	9.2	0	0	0	111.9	Q483 D485 F516 G517 V518 Y523	Q483-N514 WeakPolarHBondContact O-CB 3.44Å; D485-N514 WeakPolarHBondContact OD1-CB 3.41Å; D485-N514 PolarHBondContact OD1-ND2 3.25Å; N514-F516 PolarHBondContact O-N 3.06Å; N514-F516 VanDerWaalsContact O-N 3.08Å; N514-F516 WeakPolarHBondContact OD1-CA 3.5Å; N514-F516 WeakPolarHBondContact OD1-CB 3.44Å; N514-F516 PolarHBondContact OD1-N 3.17Å; N514-G517 PolarHBondContact O-N 3.16Å; N514-G517 VanDerWaalsContact O-N 3.14Å; N514-V518 PolarHBondContact N-O 3.16Å; N514-V518 PolarHBondContact OD1-N 3.49Å; N514-Y523 PolarHBondContact ND2-OH 2.93Å
515	I	78.9	Confident	86.3	Confident	34 Å²	34	53.2 Å²	53.2	17%	0.174	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-16.2	-179.8	59.7	175.9	0	0	0	115.4	Q483 N484 N708	Q483-I515 HydrophobicContact CB-CD1 3.75Å; Q483-I515 HydrophobicContact CB-CG1 3.99Å; Q483-I515 HydrophobicContact CG-CD1 3.78Å; Q483-I515 WeakPolarHBondContact O-CG1 3Å; Q483-I515 WeakPolarHBondContact O-CG2 3.31Å; Q483-I515 PolarHBondContact O-N 3.34Å; N484-I515 HydrophobicContact CB-CG2 4.43Å; N484-I515 WeakPolarHBondContact ND2-CG2 3.3Å; I515-N708 WeakPolarHBondContact CB-ND2 3.43Å; I515-N708 VanDerWaalsContact CD1-ND2 3.33Å; I515-N708 WeakPolarHBondContact CD1-ND2 3.25Å; I515-N708 HydrophobicContact CG2-CB 4.16Å; I515-N708 WeakPolarHBondContact CG2-ND2 3.47Å; I515-N708 WeakPolarHBondContact CG2-O 3.14Å
516	F	82.4	Confident	86.2	Confident	125 Å²	125	51.7 Å²	51.7	55%	0.548	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	2.3	-178	-52.5	-67.8	0	0	0	112.2	Q483 N514 V518	Q483-F516 HydrophobicContact CB-CE2 4.29Å; Q483-F516 HydrophobicContact CG-CE2 4.29Å; N514-F516 PolarHBondContact O-N 3.06Å; N514-F516 VanDerWaalsContact O-N 3.08Å; N514-F516 WeakPolarHBondContact OD1-CA 3.5Å; N514-F516 WeakPolarHBondContact OD1-CB 3.44Å; N514-F516 PolarHBondContact OD1-N 3.17Å; F516-V518 HydrophobicContact CB-CG2 3.82Å; F516-V518 PolarHBondContact O-N 3.41Å
517	G	83.2	Confident	86.2	Confident	46 Å²	46	54.5 Å²	54.5	47%	0.474	30%	0.298	S	S	.	.	S	Bend	trans	77.1	4.4	-172.6	0	0	0	0	0	114.2	N514	N514-G517 PolarHBondContact O-N 3.16Å; N514-G517 VanDerWaalsContact O-N 3.14Å
518	V	86.8	Confident	86.3	Confident	41 Å²	41	57.4 Å²	57.4	25%	0.248	30%	0.302	C	S	.	.			trans	-81.9	137.9	-176.6	-176.4	0	0	0	0	109.4	H489 V513 N514 F516 D522 Y523	H489-V518 PolarHBondContact NE2-O 2.82Å; V513-V518 WeakPolarHBondContact CA-O 3.3Å; N514-V518 PolarHBondContact N-O 3.16Å; N514-V518 PolarHBondContact OD1-N 3.49Å; F516-V518 HydrophobicContact CB-CG2 3.82Å; F516-V518 PolarHBondContact O-N 3.41Å; V518-D522 HydrophobicContact CG1-CB 3.65Å; V518-Y523 HydrophobicContact CB-CE2 4.09Å; V518-Y523 HydrophobicContact CG1-CD2 3.73Å; V518-Y523 HydrophobicContact CG1-CE2 3.36Å
519	R	90.2	Very high	86.3	Confident	78 Å²	78	57 Å²	57	29%	0.294	30%	0.299	S	S	.	.			trans	-99.5	167.3	177.6	-61.1	163.3	62.9	-161.1	6.1	110.8	N511 V513 V521 D522	N511-R519 PolarHBondContact OD1-NH2 3.11Å; V513-R519 HydrophobicContact CG1-CG 3.66Å; R519-V521 HydrophobicContact CB-CG1 4.1Å; R519-V521 PolarHBondContact O-N 3.43Å; R519-D522 VanDerWaalsContact CB-OD2 3.29Å; R519-D522 WeakPolarHBondContact CB-OD2 3.39Å; R519-D522 PolarHBondContact N-OD2 2.89Å; R519-D522 PolarHBondContact O-N 3.17Å; R519-D522 VanDerWaalsContact O-N 3.09Å
520	P	90.4	Very high	86.4	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-56	-37.6	175.1	-23.1	31.5	0	0	0	113	L488 H489 V492 A512 D522 Y523 L533	L488-P520 HydrophobicContact CB-CG 4.48Å; L488-P520 HydrophobicContact CD2-CB 4.18Å; L488-P520 HydrophobicContact CD2-CG 3.89Å; L488-P520 HydrophobicContact CG-CB 4.01Å; L488-P520 HydrophobicContact CG-CG 4.04Å; H489-P520 WeakPolarHBondContact NE2-CD 3.48Å; V492-P520 WeakPolarHBondContact CG1-O 2.97Å; V492-P520 HydrophobicContact CG2-CB 4.21Å; A512-P520 WeakPolarHBondContact O-CD 3.3Å; P520-D522 PolarHBondContact O-N 3.42Å; P520-Y523 PolarHBondContact O-N 3.27Å; P520-Y523 VanDerWaalsContact O-N 3.16Å; P520-L533 HydrophobicContact CB-CD1 4.28Å; P520-L533 HydrophobicContact CB-CD2 4.41Å
521	V	90.3	Very high	86.3	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.024	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-67.3	-18.7	-178.2	68.2	0	0	0	0	114	R519 R530 L533 L534	R519-V521 HydrophobicContact CB-CG1 4.1Å; R519-V521 PolarHBondContact O-N 3.43Å; V521-R530 HydrophobicContact CG2-CG 4.15Å; V521-R530 PolarHBondContact O-NH1 2.68Å; V521-R530 VanDerWaalsContact O-NH1 3.15Å; V521-L533 HydrophobicContact CB-CB 3.99Å; V521-L533 HydrophobicContact CB-CD1 4.03Å; V521-L533 HydrophobicContact CG2-CB 3.95Å; V521-L533 HydrophobicContact CG2-CD1 4.41Å; V521-L534 HydrophobicContact CG2-CD1 4.38Å; V521-L534 HydrophobicContact CG2-CD2 3.96Å; V521-L534 HydrophobicContact CG2-CG 3.9Å
522	D	88.8	Confident	86.3	Confident	87 Å²	87	57 Å²	57	47%	0.465	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-88.8	-10.1	179.6	-51.2	-39.5	0	0	0	111.8	V518 R519 P520 T524	V518-D522 HydrophobicContact CG1-CB 3.65Å; R519-D522 VanDerWaalsContact CB-OD2 3.29Å; R519-D522 WeakPolarHBondContact CB-OD2 3.39Å; R519-D522 PolarHBondContact N-OD2 2.89Å; R519-D522 PolarHBondContact O-N 3.17Å; R519-D522 VanDerWaalsContact O-N 3.09Å; P520-D522 PolarHBondContact O-N 3.42Å; D522-T524 VanDerWaalsContact C-N 3.33Å
523	Y	87.1	Confident	86.4	Confident	65 Å²	65	56.6 Å²	56.6	26%	0.255	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-87.2	6.2	172.6	-82.1	-81	0	0	0	113.6	H489 K493 N514 V518 P520	H489-Y523 AromaticContact CD2-CD2 3.91Å; H489-Y523 AromaticContact CD2-CE2 3.77Å; K493-Y523 HydrophobicContact CB-CD1 3.95Å; K493-Y523 HydrophobicContact CB-CG 4.19Å; K493-Y523 HydrophobicContact CD-CD1 3.84Å; K493-Y523 HydrophobicContact CD-CE1 3.86Å; K493-Y523 HydrophobicContact CG-CD1 3.73Å; K493-Y523 HydrophobicContact CG-CE1 4.2Å; K493-Y523 HydrophobicContact CG-CG 4.46Å; N514-Y523 PolarHBondContact ND2-OH 2.93Å; V518-Y523 HydrophobicContact CB-CE2 4.09Å; V518-Y523 HydrophobicContact CG1-CD2 3.73Å; V518-Y523 HydrophobicContact CG1-CE2 3.36Å; P520-Y523 PolarHBondContact O-N 3.27Å; P520-Y523 VanDerWaalsContact O-N 3.16Å
524	T	86.9	Confident	86.4	Confident	9 Å²	9	59 Å²	59	6%	0.055	30%	0.304	C	S	.	.			trans	-140.7	115.9	-173.4	174.3	0	0	0	0	115	V492 D522 N526 I529 L533	V492-T524 HydrophobicContact CG1-CG2 3.34Å; D522-T524 VanDerWaalsContact C-N 3.33Å; T524-N526 VanDerWaalsContact C-N 3.28Å; T524-N526 WeakPolarHBondContact OG1-CB 3.03Å; T524-N526 PolarHBondContact OG1-N 3.48Å; T524-N526 PolarHBondContact OG1-O 3.06Å; T524-I529 HydrophobicContact CG2-CB 4.3Å; T524-I529 HydrophobicContact CG2-CG2 4.11Å; T524-L533 HydrophobicContact CG2-CD1 4Å
525	D	85.1	Confident	85.9	Confident	166 Å²	166	63.9 Å²	63.9	89%	0.888	33%	0.33	S	S	*	.			trans	-80.5	-7.7	163.1	-53.7	-55.8	0	0	0	112.7	E527	D525-E527 PolarHBondContact O-N 3.24Å
526	N	87.1	Confident	84.5	Confident	67 Å²	67	67.6 Å²	67.6	36%	0.358	36%	0.357	S	S	.	.			trans	-78.4	109.9	-179	-176.5	-18.7	0	0	0	111.3	T524 N528 I529 R530	T524-N526 VanDerWaalsContact C-N 3.28Å; T524-N526 WeakPolarHBondContact OG1-CB 3.03Å; T524-N526 PolarHBondContact OG1-N 3.48Å; T524-N526 PolarHBondContact OG1-O 3.06Å; N526-N528 PolarHBondContact O-N 3.07Å; N526-N528 VanDerWaalsContact O-N 3.14Å; N526-N528 WeakPolarHBondContact OD1-CB 3.45Å; N526-N528 PolarHBondContact OD1-N 2.98Å; N526-I529 HydrophobicContact CB-CD1 4.39Å; N526-I529 HydrophobicContact CB-CG1 4.38Å; N526-I529 PolarHBondContact O-N 3.45Å; N526-R530 WeakPolarHBondContact O-CB 3.35Å; N526-R530 PolarHBondContact O-N 3.33Å
527	E	86.3	Confident	82.9	Confident	132 Å²	132	68.8 Å²	68.8	62%	0.617	36%	0.364	S	S	*	.	H	α-helix	trans	-47.3	-38.1	176.6	-74.7	-63.4	162.3	0	0	114.4	D525 I529 R530 S531	D525-E527 PolarHBondContact O-N 3.24Å; E527-I529 VanDerWaalsContact C-N 3.32Å; E527-I529 PolarHBondContact O-N 2.85Å; E527-R530 PolarHBondContact O-N 2.91Å; E527-S531 VanDerWaalsContact O-CB 3.25Å; E527-S531 WeakPolarHBondContact O-CB 3.35Å; E527-S531 PolarHBondContact O-N 2.88Å; E527-S531 PolarHBondContact O-OG 3.48Å
528	N	87.2	Confident	80.5	Confident	109 Å²	109	76.1 Å²	76.1	58%	0.583	38%	0.383	S	S	*	.	H	α-helix	trans	-68.6	-31.3	-179	-68.4	-28.7	0	0	0	112.6	N526 S531 L532	N526-N528 PolarHBondContact O-N 3.07Å; N526-N528 VanDerWaalsContact O-N 3.14Å; N526-N528 WeakPolarHBondContact OD1-CB 3.45Å; N526-N528 PolarHBondContact OD1-N 2.98Å; N528-S531 PolarHBondContact O-OG 3.3Å; N528-L532 WeakPolarHBondContact O-CD1 3.5Å; N528-L532 VanDerWaalsContact O-CG 3.29Å; N528-L532 WeakPolarHBondContact O-CG 3.35Å
529	I	88.6	Confident	77.7	Confident	0 Å²	0	79.2 Å²	79.2	0%	0	41%	0.406	C	S	.	.	H	α-helix	trans	-88.1	-39.6	176.6	-52.9	179	0	0	0	109.7	V492 V497 V500 T524 N526 E527 S531 L532 L533	V492-I529 HydrophobicContact CB-CG2 4.32Å; V492-I529 HydrophobicContact CG1-CG2 3.85Å; V492-I529 HydrophobicContact CG2-CG2 3.87Å; V497-I529 HydrophobicContact CG2-CD1 4.07Å; V497-I529 HydrophobicContact CG2-CG1 3.88Å; V500-I529 HydrophobicContact CG1-CG2 4.2Å; V500-I529 HydrophobicContact CG2-CG2 4.19Å; T524-I529 HydrophobicContact CG2-CB 4.3Å; T524-I529 HydrophobicContact CG2-CG2 4.11Å; N526-I529 HydrophobicContact CB-CD1 4.39Å; N526-I529 HydrophobicContact CB-CG1 4.38Å; N526-I529 PolarHBondContact O-N 3.45Å; E527-I529 VanDerWaalsContact C-N 3.32Å; E527-I529 PolarHBondContact O-N 2.85Å; I529-S531 PolarHBondContact O-N 3.03Å; I529-L532 PolarHBondContact O-N 3.13Å; I529-L533 HydrophobicContact CG2-CD1 3.91Å; I529-L533 HydrophobicContact CG2-CG 4.4Å; I529-L533 WeakPolarHBondContact O-CB 3.38Å; I529-L533 VanDerWaalsContact O-CG 3.3Å; I529-L533 WeakPolarHBondContact O-CG 3.49Å; I529-L533 PolarHBondContact O-N 3.01Å
530	R	87.3	Confident	74.6	Confident	90 Å²	90	82.7 Å²	82.7	34%	0.34	43%	0.426	S	S	.	.	H	α-helix	trans	-59.2	-44.9	177.2	-171.6	172.5	-172.6	76.6	4.9	111.8	V521 N526 E527 L533 L534	V521-R530 HydrophobicContact CG2-CG 4.15Å; V521-R530 PolarHBondContact O-NH1 2.68Å; V521-R530 VanDerWaalsContact O-NH1 3.15Å; N526-R530 WeakPolarHBondContact O-CB 3.35Å; N526-R530 PolarHBondContact O-N 3.33Å; E527-R530 PolarHBondContact O-N 2.91Å; R530-L533 CarbonylContact O-C 3.56Å; R530-L533 PolarHBondContact O-N 3.3Å; R530-L534 HydrophobicContact CG-CD1 3.84Å; R530-L534 HydrophobicContact CG-CG 4.47Å; R530-L534 WeakPolarHBondContact O-CB 3.46Å; R530-L534 VanDerWaalsContact O-CG 3.32Å; R530-L534 WeakPolarHBondContact O-CG 3.35Å; R530-L534 PolarHBondContact O-N 3.27Å
531	S	86.9	Confident	71.7	Confident	56 Å²	56	87.8 Å²	87.8	39%	0.392	46%	0.462	S	S	.	.	H	α-helix	trans	-62.4	-48.4	173.7	54.4	0	0	0	0	112.2	E527 N528 I529 L533 L534 L535	E527-S531 VanDerWaalsContact O-CB 3.25Å; E527-S531 WeakPolarHBondContact O-CB 3.35Å; E527-S531 PolarHBondContact O-N 2.88Å; E527-S531 PolarHBondContact O-OG 3.48Å; N528-S531 PolarHBondContact O-OG 3.3Å; I529-S531 PolarHBondContact O-N 3.03Å; S531-L533 PolarHBondContact O-N 3.18Å; S531-L533 VanDerWaalsContact O-N 3.16Å; S531-L534 PolarHBondContact O-N 3.39Å; S531-L535 WeakPolarHBondContact O-CG 3.13Å; S531-L535 PolarHBondContact O-N 3.19Å
532	L	86.5	Confident	68.8	Low	33 Å²	33	92.3 Å²	92.3	17%	0.173	49%	0.493	C	S	.	.	H	α-helix	trans	-55.3	-32.8	174	-74.2	172.4	0	0	0	113	V497 L504 R510 N528 I529 L535	V497-L532 HydrophobicContact CG1-CD1 3.84Å; L504-L532 HydrophobicContact CD1-CB 4.4Å; R510-L532 PolarHBondContact NH2-O 2.87Å; N528-L532 WeakPolarHBondContact O-CD1 3.5Å; N528-L532 VanDerWaalsContact O-CG 3.29Å; N528-L532 WeakPolarHBondContact O-CG 3.35Å; I529-L532 PolarHBondContact O-N 3.13Å; L532-L535 HydrophobicContact CD2-CD1 4.43Å
533	L	86.5	Confident	66.1	Low	4 Å²	4	93.3 Å²	93.3	2%	0.021	51%	0.507	C	S	.	.	H	α-helix	trans	-86.2	-18.5	177.3	-66.6	170.8	0	0	0	114.3	L488 V492 V500 L504 R510 P520 V521 T524 I529 R530 S531	L488-L533 HydrophobicContact CD1-CD2 4.35Å; L488-L533 HydrophobicContact CD2-CD2 4.12Å; L488-L533 HydrophobicContact CG-CD2 4.45Å; V492-L533 HydrophobicContact CG1-CD1 4Å; V492-L533 HydrophobicContact CG2-CD1 3.72Å; V492-L533 HydrophobicContact CG2-CD2 4.47Å; V500-L533 HydrophobicContact CG1-CD2 4.4Å; L504-L533 HydrophobicContact CD1-CD2 4.3Å; L504-L533 HydrophobicContact CD2-CD2 4.29Å; R510-L533 PolarHBondContact NE-O 3.17Å; R510-L533 PolarHBondContact NH2-O 3.42Å; P520-L533 HydrophobicContact CB-CD1 4.28Å; P520-L533 HydrophobicContact CB-CD2 4.41Å; V521-L533 HydrophobicContact CB-CB 3.99Å; V521-L533 HydrophobicContact CB-CD1 4.03Å; V521-L533 HydrophobicContact CG2-CB 3.95Å; V521-L533 HydrophobicContact CG2-CD1 4.41Å; T524-L533 HydrophobicContact CG2-CD1 4Å; I529-L533 HydrophobicContact CG2-CD1 3.91Å; I529-L533 HydrophobicContact CG2-CG 4.4Å; I529-L533 WeakPolarHBondContact O-CB 3.38Å; I529-L533 VanDerWaalsContact O-CG 3.3Å; I529-L533 WeakPolarHBondContact O-CG 3.49Å; I529-L533 PolarHBondContact O-N 3.01Å; R530-L533 CarbonylContact O-C 3.56Å; R530-L533 PolarHBondContact O-N 3.3Å; S531-L533 PolarHBondContact O-N 3.18Å; S531-L533 VanDerWaalsContact O-N 3.16Å
534	L	83.3	Confident	63.4	Low	92 Å²	92	96.4 Å²	96.4	48%	0.482	53%	0.533	S	S	.	.	H	α-helix	trans	-105.4	-13.3	179.1	-68.6	178.6	0	0	0	115.7	V521 R530 S531	V521-L534 HydrophobicContact CG2-CD1 4.38Å; V521-L534 HydrophobicContact CG2-CD2 3.96Å; V521-L534 HydrophobicContact CG2-CG 3.9Å; R530-L534 HydrophobicContact CG-CD1 3.84Å; R530-L534 HydrophobicContact CG-CG 4.47Å; R530-L534 WeakPolarHBondContact O-CB 3.46Å; R530-L534 VanDerWaalsContact O-CG 3.32Å; R530-L534 WeakPolarHBondContact O-CG 3.35Å; R530-L534 PolarHBondContact O-N 3.27Å; S531-L534 PolarHBondContact O-N 3.39Å
535	L	75.1	Confident	61.1	Low	103 Å²	103	100.7 Å²	100.7	54%	0.539	56%	0.563	S	S	.	*	S	Bend	trans	-45.9	121	172.9	-84.5	170.4	0	0	0	111.2	R510 S531 L532 E537	R510-L535 PolarHBondContact NH1-O 3.3Å; R510-L535 VanDerWaalsContact NH2-N 3.12Å; R510-L535 PolarHBondContact NH2-O 3.33Å; S531-L535 WeakPolarHBondContact O-CG 3.13Å; S531-L535 PolarHBondContact O-N 3.19Å; L532-L535 HydrophobicContact CD2-CD1 4.43Å; L535-E537 PolarHBondContact O-N 2.89Å
536	P	49.5	Very low	58.5	Low	113 Å²	113	99.5 Å²	99.5	73%	0.734	55%	0.552	S	S	*	*			trans	-55.1	145.5	-178.7	22.8	-33.3	0	0	0	111	K538	P536-K538 PolarHBondContact O-N 3.36Å
537	E	47.9	Very low	55.7	Low	149 Å²	149	102.4 Å²	102.4	70%	0.696	58%	0.577	S	S	*	*			trans	-56	134.7	165.8	-66.4	179.8	174.6	0	0	108	L535 S539	L535-E537 PolarHBondContact O-N 2.89Å; E537-S539 PolarHBondContact O-N 3.18Å
538	K	32.1	Very low	53.3	Low	200 Å²	200	99.4 Å²	99.4	87%	0.87	57%	0.574	S	S	*	*			trans	-64	111.6	169.4	-79	-170.6	173.8	-172.8	0	106.9	P536 E540	P536-K538 PolarHBondContact O-N 3.36Å; K538-E540 VanDerWaalsContact C-N 3.32Å; K538-E540 PolarHBondContact O-N 3.36Å
539	S	28.3	Very low	50.8	Low	107 Å²	107	100.2 Å²	100.2	75%	0.748	58%	0.583	S	S	*	*			trans	-76.1	77	-168.4	56.6	0	0	0	0	112.3	E537 S541	E537-S539 PolarHBondContact O-N 3.18Å; S539-S541 PolarHBondContact O-N 3.28Å
540	E	26.6	Very low	48.1	Very low	150 Å²	150	105.7 Å²	105.7	70%	0.701	62%	0.616	S	S	*	*			trans	-86.8	56.7	164	-70.5	-173.2	-172.8	0	0	110.2	K538 S542	K538-E540 VanDerWaalsContact C-N 3.32Å; K538-E540 PolarHBondContact O-N 3.36Å; E540-S542 VanDerWaalsContact C-N 3.27Å; E540-S542 PolarHBondContact O-N 2.69Å
541	S	28.7	Very low	45.6	Very low	108 Å²	108	104.9 Å²	104.9	76%	0.755	62%	0.621	S	S	*	*			trans	-88.3	50.2	-178.4	61.9	0	0	0	0	112.9	S539	S539-S541 PolarHBondContact O-N 3.28Å
542	S	29.6	Very low	43	Very low	99 Å²	99	106 Å²	106	69%	0.692	63%	0.634	S	S	*	*	S	Bend	trans	-164.3	115.1	165.9	53.5	0	0	0	0	112.4	E540	E540-S542 VanDerWaalsContact C-N 3.27Å; E540-S542 PolarHBondContact O-N 2.69Å
543	S	31.9	Very low	40.5	Very low	107 Å²	107	107.5 Å²	107.5	75%	0.748	66%	0.657	S	S	*	*	S	Bend	trans	45	111.2	159.4	58.6	0	0	0	0	119.8
544	T	30.7	Very low	38.4	Very low	131 Å²	131	113.9 Å²	113.9	80%	0.804	69%	0.687	S	S	*	*	S	Bend	trans	71.9	99.5	149.2	-48.9	0	0	0	0	117.7
545	S	38.2	Very low	36.8	Very low	98 Å²	98	115.8 Å²	115.8	69%	0.685	69%	0.688	S	S	*	*			trans	68.6	144.9	175.4	83	0	0	0	0	114.1
546	Q	31.3	Very low	35.7	Very low	142 Å²	142	115.2 Å²	115.2	66%	0.664	68%	0.679	S	S	*	*			cis	-135.6	135.5	22.8	-62.5	176.4	15.6	0	0	114.6	A548	Q546-A548 HydrophobicContact CB-CB 3.87Å; Q546-A548 HydrophobicContact CG-CB 4.24Å
547	C	26.7	Very low	35.8	Very low	128 Å²	128	117.2 Å²	117.2	87%	0.865	68%	0.683	S	S	*	*			trans	-119.5	69.8	148.3	-165.5	0	0	0	0	107.4
548	A	36.2	Very low	36.7	Very low	68 Å²	68	112 Å²	112	56%	0.562	67%	0.669	S	S	*	*			trans	-114.6	16.5	-159.4	0	0	0	0	0	114.6	Q546	Q546-A548 HydrophobicContact CB-CB 3.87Å; Q546-A548 HydrophobicContact CG-CB 4.24Å
549	V	35.4	Very low	39	Very low	126 Å²	126	107.4 Å²	107.4	76%	0.764	66%	0.66	S	S	*	*	S	Bend	trans	-124.7	125.6	174.6	-168.1	0	0	0	0	109.2
550	V	32	Very low	41.9	Very low	116 Å²	116	103.1 Å²	103.1	70%	0.703	63%	0.628	S	S	*	*	S	Bend	trans	72.2	130.6	-172.1	-156.7	0	0	0	0	115.4	A552	V550-A552 PolarHBondContact O-N 3.47Å
551	T	33.8	Very low	45	Very low	72 Å²	72	96.5 Å²	96.5	44%	0.442	60%	0.598	S	S	.	*	S	Bend	trans	71.2	-18.5	168.2	8.4	0	0	0	0	122.7	G553 Q554	T551-G553 PolarHBondContact O-N 3.39Å; T551-Q554 PolarHBondContact O-N 2.81Å
552	A	32.8	Very low	48.1	Very low	80 Å²	80	91.3 Å²	91.3	66%	0.661	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.1	-51.4	178.4	0	0	0	0	0	112.8	V550 Q554	V550-A552 PolarHBondContact O-N 3.47Å; A552-Q554 PolarHBondContact O-N 3.03Å
553	G	34	Very low	51.2	Low	65 Å²	65	86.7 Å²	86.7	67%	0.67	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-21.7	-179.8	0	0	0	0	0	115.2	T551	T551-G553 PolarHBondContact O-N 3.39Å
554	Q	41.4	Very low	54.1	Low	138 Å²	138	82.1 Å²	82.1	65%	0.645	50%	0.499	S	S	*	.	G	3₁₀ helix	trans	-79.3	-26.6	-169.3	-74.3	173.8	-53.7	0	0	114	T551 A552 R556	T551-Q554 PolarHBondContact O-N 2.81Å; A552-Q554 PolarHBondContact O-N 3.03Å; Q554-R556 PolarHBondContact O-N 2.89Å
555	R	49.6	Very low	57.1	Low	131 Å²	131	76.1 Å²	76.1	49%	0.494	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-80.3	-11.1	-175.8	-66.4	-158.8	-167.4	-123.5	11.8	115	N474 N557 G558	N474-R555 PolarHBondContact ND2-NH2 3.22Å; N474-R555 PolarHBondContact OD1-NH1 3.12Å; R555-N557 PolarHBondContact O-N 2.81Å; R555-G558 PolarHBondContact O-N 2.96Å
556	R	53.1	Low	59.4	Low	92 Å²	92	74.1 Å²	74.1	35%	0.347	46%	0.457	S	S	.	.	G	3₁₀ helix	trans	-63.3	-26.5	177.7	-77	-167.9	178.3	156.1	10.5	113.2	Q554 G558 R635 E638 E639	Q554-R556 PolarHBondContact O-N 2.89Å; R556-G558 PolarHBondContact O-N 2.95Å; R556-R635 PolarHBondContact O-NH1 2.77Å; R556-E638 IonicContact CZ-OE2 3.9Å; R556-E638 IonicContact NE-OE2 3.46Å; R556-E638 PolarHBondContact NE-OE2 3.27Å; R556-E639 IonicContact CZ-OE1 3.93Å; R556-E639 VanDerWaalsContact NH2-CD 3.27Å; R556-E639 IonicContact NH2-OE1 2.87Å; R556-E639 PolarHBondContact NH2-OE1 3.07Å; R556-E639 IonicContact NH2-OE2 2.85Å; R556-E639 PolarHBondContact NH2-OE2 3.25Å
557	N	52	Low	62.3	Low	154 Å²	154	68 Å²	68	82%	0.824	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-80.5	11.4	-175.9	-65.5	-12.7	0	0	0	115.1	R555	R555-N557 PolarHBondContact O-N 2.81Å
558	G	66.8	Low	65.4	Low	39 Å²	39	64.8 Å²	64.8	40%	0.402	41%	0.407	S	S	.	.	S	Bend	trans	-71.2	158.5	173	0	0	0	0	0	113.8	R555 R556 L560	R555-G558 PolarHBondContact O-N 2.96Å; R556-G558 PolarHBondContact O-N 2.95Å; G558-L560 PolarHBondContact O-N 2.96Å
559	P	80.6	Confident	68.1	Low	104 Å²	104	66.1 Å²	66.1	68%	0.675	41%	0.413	S	S	*	.			trans	-64.4	121.1	177.1	27.2	-34.2	0	0	0	110.9	V561	P559-V561 PolarHBondContact O-N 2.89Å
560	L	88.8	Confident	70.9	Confident	18 Å²	18	65.9 Å²	65.9	9%	0.094	40%	0.404	C	S	.	.			trans	-75.1	115.4	-175	-173.9	57.6	0	0	0	111.4	G558 L562 L582 A584 K585 H596	G558-L560 PolarHBondContact O-N 2.96Å; L560-L562 HydrophobicContact CD1-CD2 3.67Å; L560-L562 HydrophobicContact CD2-CD2 4.25Å; L560-L562 HydrophobicContact CG-CD2 3.78Å; L560-L562 HydrophobicContact CG-CG 4.21Å; L560-L582 HydrophobicContact CD2-CB 3.93Å; L560-L582 HydrophobicContact CD2-CD1 3.73Å; L560-A584 HydrophobicContact CB-CB 4.02Å; L560-A584 HydrophobicContact CD2-CB 3.93Å; L560-A584 HydrophobicContact CG-CB 3.82Å; L560-A584 CarbonylContact O-C 3.58Å; L560-A584 WeakPolarHBondContact O-CA 3.26Å; L560-A584 WeakPolarHBondContact O-CB 3.32Å; L560-K585 PolarHBondContact O-N 3.27Å; L560-H596 WeakPolarHBondContact CD1-CE1 3.32Å; L560-H596 VanDerWaalsContact CD1-ND1 3.27Å; L560-H596 WeakPolarHBondContact CD1-ND1 3.44Å
561	V	92.3	Very high	73.8	Confident	10 Å²	10	62.1 Å²	62.1	6%	0.061	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	114.7	177.5	-174.3	0	0	0	0	110.2	P559 K585 C587 T593 V594 T595 H596	P559-V561 PolarHBondContact O-N 2.89Å; V561-K585 CarbonylContact C-O 3.52Å; V561-K585 WeakPolarHBondContact CA-O 3.27Å; V561-K585 HydrophobicContact CG2-CB 4.47Å; V561-C587 VanDerWaalsContact CG1-SG 3.53Å; V561-T593 WeakPolarHBondContact CB-O 3.27Å; V561-T593 WeakPolarHBondContact CG2-O 3.45Å; V561-V594 HydrophobicContact CG1-CG2 4.29Å; V561-T595 HydrophobicContact CB-CG2 4.35Å; V561-T595 PolarHBondContact N-OG1 3.17Å; V561-T595 PolarHBondContact O-N 3.38Å; V561-T595 PolarHBondContact O-OG1 3.45Å; V561-H596 PolarHBondContact O-N 3.23Å
562	L	93.7	Very high	76.6	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	144	-172.7	-52.6	-179.5	0	0	0	111.6	L560 L575 L578 A584 K585 R586 C587 H596 W625	L560-L562 HydrophobicContact CD1-CD2 3.67Å; L560-L562 HydrophobicContact CD2-CD2 4.25Å; L560-L562 HydrophobicContact CG-CD2 3.78Å; L560-L562 HydrophobicContact CG-CG 4.21Å; L562-L575 HydrophobicContact CB-CD1 4.33Å; L562-L575 HydrophobicContact CD1-CD1 3.75Å; L562-L578 HydrophobicContact CD1-CD2 4.42Å; L562-A584 HydrophobicContact CD1-CB 3.87Å; L562-A584 HydrophobicContact CG-CB 4.02Å; L562-K585 PolarHBondContact N-O 2.82Å; L562-R586 WeakPolarHBondContact O-CA 3.34Å; L562-C587 PolarHBondContact O-N 2.88Å; L562-H596 HydrophobicContact CD2-CB 3.76Å; L562-W625 HydrophobicContact CD2-CH2 4.19Å; L562-W625 HydrophobicContact CD2-CZ3 4.25Å
563	I	94.1	Very high	79.5	Confident	2 Å²	2	64.1 Å²	64.1	1%	0.01	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	139.5	166.6	-170.8	164.8	0	0	0	110.7	C587 F590 V594 H596 V597 I598 K609	I563-C587 WeakPolarHBondContact CG1-O 3.48Å; I563-F590 HydrophobicContact CD1-CB 4.34Å; I563-V594 HydrophobicContact CG2-CG1 3.61Å; I563-V594 HydrophobicContact CG2-CG2 4.32Å; I563-H596 PolarHBondContact N-O 3.18Å; I563-V597 HydrophobicContact CG2-CB 4.15Å; I563-V597 HydrophobicContact CG2-CG1 4.13Å; I563-V597 HydrophobicContact CG2-CG2 3.73Å; I563-V597 CarbonylContact O-C 3.52Å; I563-V597 WeakPolarHBondContact O-CA 3.37Å; I563-I598 PolarHBondContact O-N 3.32Å; I563-K609 HydrophobicContact CD1-CD 4.01Å; I563-K609 HydrophobicContact CD1-CG 4.5Å
564	G	92.4	Very high	82.3	Confident	10 Å²	10	63.4 Å²	63.4	10%	0.103	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	133.2	173.8	0	0	0	0	0	111.4
565	S	93.1	Very high	84.8	Confident	6 Å²	6	56.9 Å²	56.9	4%	0.042	32%	0.316	C	S	.	.	S	Bend	trans	-120.6	132.8	173	-155.4	0	0	0	0	109.7	L567 I598 P600 T607	S565-L567 PolarHBondContact O-N 3.15Å; S565-I598 PolarHBondContact N-O 2.82Å; S565-P600 WeakPolarHBondContact O-CD 3.48Å; S565-T607 PolarHBondContact OG-OG1 3.36Å
566	G	88.1	Confident	86.8	Confident	55 Å²	55	52.6 Å²	52.6	57%	0.567	31%	0.307	S	S	*	.	S	Bend	trans	68.7	-12.3	-175.5	0	0	0	0	0	116.5	S568	G566-S568 PolarHBondContact O-N 2.69Å
567	L	90.8	Very high	88.7	Confident	15 Å²	15	54.8 Å²	54.8	8%	0.079	32%	0.318	C	S	.	.			trans	-60.8	132.7	-175	-58	-172.9	0	0	0	113.8	S565 Q571 Q572 L575 I598 P600 F623	S565-L567 PolarHBondContact O-N 3.15Å; L567-Q571 HydrophobicContact CB-CB 3.9Å; L567-Q571 HydrophobicContact CD1-CB 4.43Å; L567-Q571 HydrophobicContact CD2-CB 4.27Å; L567-Q571 HydrophobicContact CG-CB 4.43Å; L567-Q572 HydrophobicContact CB-CG 4.03Å; L567-L575 HydrophobicContact CD1-CD2 3.89Å; L567-I598 HydrophobicContact CD1-CB 4.46Å; L567-I598 HydrophobicContact CD1-CG2 4.47Å; L567-P600 HydrophobicContact CD2-CB 3.95Å; L567-P600 HydrophobicContact CD2-CG 4.47Å; L567-F623 HydrophobicContact CD1-CD2 4.33Å; L567-F623 HydrophobicContact CD1-CE2 4.41Å; L567-F623 HydrophobicContact CD2-CD2 3.87Å
568	S	93.3	Very high	90.6	Very high	59 Å²	59	47.4 Å²	47.4	41%	0.413	28%	0.279	S	S	.	.			trans	-62.5	161.1	171.8	67.2	0	0	0	0	113.3	G566 Q570 Q571 Q572	G566-S568 PolarHBondContact O-N 2.69Å; S568-Q570 PolarHBondContact O-N 3.44Å; S568-Q571 PolarHBondContact O-N 3.25Å; S568-Q571 WeakPolarHBondContact OG-CG 3.29Å; S568-Q571 PolarHBondContact OG-N 3.14Å; S568-Q571 PolarHBondContact OG-OE1 2.91Å; S568-Q572 WeakPolarHBondContact O-CG 3.44Å; S568-Q572 PolarHBondContact O-N 3.08Å
569	S	92.8	Very high	91.8	Very high	97 Å²	97	47.4 Å²	47.4	68%	0.678	27%	0.268	S	S	*	.	H	α-helix	trans	-55.7	-25.5	178.1	-52.3	0	0	0	0	114.4	K573	S569-K573 VanDerWaalsContact O-CG 3.31Å; S569-K573 WeakPolarHBondContact O-CG 3.5Å; S569-K573 PolarHBondContact O-N 3.33Å
570	Q	93.4	Very high	92.3	Very high	121 Å²	121	47.6 Å²	47.6	57%	0.565	27%	0.268	S	S	*	.	H	α-helix	trans	-82.4	-41.2	175.3	-174.1	67.3	-7.6	0	0	111.9	S568 Q572 K573 M574	S568-Q570 PolarHBondContact O-N 3.44Å; Q570-Q572 VanDerWaalsContact C-N 3.32Å; Q570-Q572 PolarHBondContact O-N 3.22Å; Q570-K573 WeakPolarHBondContact O-CB 3.38Å; Q570-K573 PolarHBondContact O-N 3.37Å; Q570-M574 PolarHBondContact O-N 3.48Å
571	Q	93.1	Very high	92.4	Very high	37 Å²	37	49.6 Å²	49.6	17%	0.173	28%	0.281	C	S	.	.	H	α-helix	trans	-62.6	-39.1	173.2	-72.1	164.7	-56.9	0	0	111.4	L567 S568 K573 M574 L575 F623	L567-Q571 HydrophobicContact CB-CB 3.9Å; L567-Q571 HydrophobicContact CD1-CB 4.43Å; L567-Q571 HydrophobicContact CD2-CB 4.27Å; L567-Q571 HydrophobicContact CG-CB 4.43Å; S568-Q571 PolarHBondContact O-N 3.25Å; S568-Q571 WeakPolarHBondContact OG-CG 3.29Å; S568-Q571 PolarHBondContact OG-N 3.14Å; S568-Q571 PolarHBondContact OG-OE1 2.91Å; Q571-K573 PolarHBondContact O-N 3.07Å; Q571-M574 WeakPolarHBondContact O-CB 3.29Å; Q571-M574 PolarHBondContact O-N 2.96Å; Q571-L575 PolarHBondContact O-N 2.9Å; Q571-F623 HydrophobicContact CB-CD2 4.11Å; Q571-F623 HydrophobicContact CB-CE1 4.38Å; Q571-F623 HydrophobicContact CB-CE2 3.55Å; Q571-F623 HydrophobicContact CB-CZ 3.73Å; Q571-F623 HydrophobicContact CG-CD1 4.07Å; Q571-F623 HydrophobicContact CG-CD2 4.1Å; Q571-F623 HydrophobicContact CG-CE1 3.77Å; Q571-F623 HydrophobicContact CG-CE2 3.8Å; Q571-F623 HydrophobicContact CG-CG 4.25Å; Q571-F623 HydrophobicContact CG-CZ 3.64Å
572	Q	92.5	Very high	92.2	Very high	63 Å²	63	50.7 Å²	50.7	29%	0.294	29%	0.286	S	S	.	.	H	α-helix	trans	-62.4	-38.7	173.3	-67.6	-72.9	5.2	0	0	112.5	L567 S568 Q570 L575 S576	L567-Q572 HydrophobicContact CB-CG 4.03Å; S568-Q572 WeakPolarHBondContact O-CG 3.44Å; S568-Q572 PolarHBondContact O-N 3.08Å; Q570-Q572 VanDerWaalsContact C-N 3.32Å; Q570-Q572 PolarHBondContact O-N 3.22Å; Q572-L575 PolarHBondContact O-N 3.15Å; Q572-S576 WeakPolarHBondContact O-CB 3.45Å; Q572-S576 PolarHBondContact O-N 3.14Å; Q572-S576 PolarHBondContact O-OG 3.35Å
573	K	93.4	Very high	91.9	Very high	131 Å²	131	59.9 Å²	59.9	57%	0.57	33%	0.326	S	S	*	.	H	α-helix	trans	-64.7	-39.3	172.6	-74.3	169.1	-176.2	177.8	0	112	S569 Q570 Q571 S576 K577	S569-K573 VanDerWaalsContact O-CG 3.31Å; S569-K573 WeakPolarHBondContact O-CG 3.5Å; S569-K573 PolarHBondContact O-N 3.33Å; Q570-K573 WeakPolarHBondContact O-CB 3.38Å; Q570-K573 PolarHBondContact O-N 3.37Å; Q571-K573 PolarHBondContact O-N 3.07Å; K573-S576 WeakPolarHBondContact O-CB 3.37Å; K573-S576 PolarHBondContact O-N 3.1Å; K573-K577 PolarHBondContact O-N 3.36Å; K573-K577 VanDerWaalsContact O-N 3.11Å
574	M	93.1	Very high	91.7	Very high	50 Å²	50	60.4 Å²	60.4	25%	0.246	33%	0.33	C	S	.	.	H	α-helix	trans	-66.7	-43.7	174.9	-72.1	177.7	66	0	0	112.1	Q570 Q571 S576 K577 L578 F623 V626 K627 L630	Q570-M574 PolarHBondContact O-N 3.48Å; Q571-M574 WeakPolarHBondContact O-CB 3.29Å; Q571-M574 PolarHBondContact O-N 2.96Å; M574-S576 PolarHBondContact O-N 3.35Å; M574-K577 WeakPolarHBondContact O-CA 3.24Å; M574-K577 WeakPolarHBondContact O-CB 3.18Å; M574-K577 PolarHBondContact O-N 3.11Å; M574-L578 PolarHBondContact O-N 3.11Å; M574-F623 HydrophobicContact CB-CZ 3.9Å; M574-F623 HydrophobicContact CE-CE1 3.98Å; M574-F623 HydrophobicContact CE-CZ 4.03Å; M574-F623 HydrophobicContact SD-CE1 4.08Å; M574-F623 HydrophobicContact SD-CZ 3.95Å; M574-V626 HydrophobicContact CB-CG1 4.37Å; M574-K627 HydrophobicContact CE-CG 4.32Å; M574-L630 HydrophobicContact CB-CD1 4.01Å; M574-L630 HydrophobicContact CE-CD1 3.93Å; M574-L630 HydrophobicContact CG-CD1 4.5Å
575	L	93.1	Very high	91.6	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-59.6	-34.9	173.3	-177.6	53	0	0	0	111.9	L562 L567 Q571 Q572 K577 L578 E579 I598 V626	L562-L575 HydrophobicContact CB-CD1 4.33Å; L562-L575 HydrophobicContact CD1-CD1 3.75Å; L567-L575 HydrophobicContact CD1-CD2 3.89Å; Q571-L575 PolarHBondContact O-N 2.9Å; Q572-L575 PolarHBondContact O-N 3.15Å; L575-K577 VanDerWaalsContact C-N 3.34Å; L575-L578 HydrophobicContact CD1-CD2 4.42Å; L575-L578 PolarHBondContact O-N 2.93Å; L575-E579 PolarHBondContact O-N 3.3Å; L575-I598 HydrophobicContact CD1-CD1 3.66Å; L575-I598 HydrophobicContact CD2-CD1 4.5Å; L575-V626 HydrophobicContact CD1-CG2 4.44Å
576	S	92.3	Very high	91.4	Very high	42 Å²	42	70.9 Å²	70.9	29%	0.294	37%	0.37	S	S	.	.	H	α-helix	trans	-70.8	-25.8	174.3	-54.2	0	0	0	0	113.7	Q572 K573 M574 R586	Q572-S576 WeakPolarHBondContact O-CB 3.45Å; Q572-S576 PolarHBondContact O-N 3.14Å; Q572-S576 PolarHBondContact O-OG 3.35Å; K573-S576 WeakPolarHBondContact O-CB 3.37Å; K573-S576 PolarHBondContact O-N 3.1Å; M574-S576 PolarHBondContact O-N 3.35Å; S576-R586 VanDerWaalsContact CB-NH1 3.27Å; S576-R586 PolarHBondContact OG-NH1 3.47Å
577	K	93.1	Very high	91.4	Very high	137 Å²	137	70 Å²	70	60%	0.596	36%	0.355	S	S	*	.	H	α-helix	trans	-75.6	-33.8	167.3	-67.2	178.3	178.7	-174.3	0	111.6	K573 M574 L575 T580 V581 L630	K573-K577 PolarHBondContact O-N 3.36Å; K573-K577 VanDerWaalsContact O-N 3.11Å; M574-K577 WeakPolarHBondContact O-CA 3.24Å; M574-K577 WeakPolarHBondContact O-CB 3.18Å; M574-K577 PolarHBondContact O-N 3.11Å; L575-K577 VanDerWaalsContact C-N 3.34Å; K577-T580 PolarHBondContact O-OG1 3.21Å; K577-T580 VanDerWaalsContact O-OG1 3.06Å; K577-V581 WeakPolarHBondContact O-CG2 3.16Å; K577-V581 PolarHBondContact O-N 3.33Å; K577-L630 HydrophobicContact CB-CD2 3.96Å
578	L	92.5	Very high	91.1	Very high	0 Å²	0	73.2 Å²	73.2	0%	0	38%	0.384	C	S	.	.	H	α-helix	trans	-69.5	-35.9	178.1	-174.7	65	0	0	0	111.9	L562 M574 L575 T580 V581 L582 W625 V626 C629 L630	L562-L578 HydrophobicContact CD1-CD2 4.42Å; M574-L578 PolarHBondContact O-N 3.11Å; L575-L578 HydrophobicContact CD1-CD2 4.42Å; L575-L578 PolarHBondContact O-N 2.93Å; L578-T580 VanDerWaalsContact C-N 3.29Å; L578-T580 PolarHBondContact O-N 3.15Å; L578-V581 PolarHBondContact O-N 3.06Å; L578-L582 HydrophobicContact CD1-CD1 3.7Å; L578-L582 HydrophobicContact CD1-CG 3.72Å; L578-L582 HydrophobicContact CD2-CD1 4.23Å; L578-L582 HydrophobicContact CG-CD1 3.91Å; L578-L582 HydrophobicContact CG-CG 4.16Å; L578-L582 PolarHBondContact O-N 3.29Å; L578-W625 HydrophobicContact CD2-CE3 4.13Å; L578-W625 HydrophobicContact CD2-CH2 4.28Å; L578-W625 HydrophobicContact CD2-CZ3 3.63Å; L578-V626 HydrophobicContact CB-CG1 4.37Å; L578-V626 HydrophobicContact CD2-CB 4.3Å; L578-V626 HydrophobicContact CD2-CG1 4.08Å; L578-V626 HydrophobicContact CD2-CG2 4.07Å; L578-C629 HydrophobicContact CD1-CB 3.42Å; L578-C629 VanDerWaalsContact CD1-CB 3.42Å; L578-C629 HydrophobicContact CD2-CB 4.32Å; L578-L630 HydrophobicContact CB-CD2 4.08Å; L578-L630 HydrophobicContact CB-CG 4.33Å; L578-L630 HydrophobicContact CD1-CD2 4.22Å; L578-L630 HydrophobicContact CD1-CG 4.25Å
579	E	91.2	Very high	90.8	Very high	38 Å²	38	76.6 Å²	76.6	18%	0.178	39%	0.393	C	S	.	.	H	α-helix	trans	-51.5	-46.6	175.2	-175.1	-177.9	-144.6	0	0	112.1	L575 K583 A584 R586	L575-E579 PolarHBondContact O-N 3.3Å; E579-K583 CarbonylContact O-C 3.57Å; E579-K583 WeakPolarHBondContact O-CA 3.33Å; E579-K583 PolarHBondContact O-N 3.21Å; E579-A584 WeakPolarHBondContact CG-O 3.42Å; E579-A584 PolarHBondContact O-N 2.91Å; E579-R586 HydrophobicContact CG-CB 4.43Å; E579-R586 WeakPolarHBondContact OE1-CB 3.3Å; E579-R586 IonicContact OE1-CZ 2.68Å; E579-R586 PolarHBondContact OE1-N 3.25Å; E579-R586 IonicContact OE1-NH2 2.92Å; E579-R586 PolarHBondContact OE1-NH2 2.74Å; E579-R586 IonicContact OE2-CZ 2.69Å; E579-R586 IonicContact OE2-NH1 2.81Å; E579-R586 PolarHBondContact OE2-NH1 2.84Å; E579-R586 IonicContact OE2-NH2 3.47Å; E579-R586 PolarHBondContact OE2-NH2 3.18Å
580	T	90.9	Very high	90.7	Very high	108 Å²	108	73.6 Å²	73.6	66%	0.663	37%	0.368	S	S	*	.	H	α-helix	trans	-75.8	-31.8	-178.9	60.5	0	0	0	0	113.1	K577 L578	K577-T580 PolarHBondContact O-OG1 3.21Å; K577-T580 VanDerWaalsContact O-OG1 3.06Å; L578-T580 VanDerWaalsContact C-N 3.29Å; L578-T580 PolarHBondContact O-N 3.15Å
581	V	90.6	Very high	90.4	Very high	60 Å²	60	71.3 Å²	71.3	36%	0.364	36%	0.359	S	S	.	.	H	α-helix	trans	-67.6	-49.8	175.8	171.4	0	0	0	0	111.2	K577 L578 K633	K577-V581 WeakPolarHBondContact O-CG2 3.16Å; K577-V581 PolarHBondContact O-N 3.33Å; L578-V581 PolarHBondContact O-N 3.06Å; V581-K633 HydrophobicContact CG1-CB 4.16Å
582	L	88.3	Confident	90	Very high	34 Å²	34	73.3 Å²	73.3	18%	0.178	38%	0.377	C	S	.	.	H	α-helix	trans	-88.3	1.4	-177.6	-59.6	-174	0	0	0	114.1	L560 L578 A584 W625 R635	L560-L582 HydrophobicContact CD2-CB 3.93Å; L560-L582 HydrophobicContact CD2-CD1 3.73Å; L578-L582 HydrophobicContact CD1-CD1 3.7Å; L578-L582 HydrophobicContact CD1-CG 3.72Å; L578-L582 HydrophobicContact CD2-CD1 4.23Å; L578-L582 HydrophobicContact CG-CD1 3.91Å; L578-L582 HydrophobicContact CG-CG 4.16Å; L578-L582 PolarHBondContact O-N 3.29Å; L582-A584 PolarHBondContact O-N 3.23Å; L582-W625 HydrophobicContact CD1-CH2 4.11Å; L582-W625 HydrophobicContact CD1-CZ2 4.49Å; L582-R635 HydrophobicContact CD1-CB 4.41Å; L582-R635 HydrophobicContact CD2-CB 4.06Å
583	K	89	Confident	89.7	Confident	193 Å²	193	74.3 Å²	74.3	84%	0.839	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	36.1	-172.6	-57.4	177.1	-177.1	173.1	0	112.7	E579	E579-K583 CarbonylContact O-C 3.57Å; E579-K583 WeakPolarHBondContact O-CA 3.33Å; E579-K583 PolarHBondContact O-N 3.21Å
584	A	88.3	Confident	89.7	Confident	12 Å²	12	68.1 Å²	68.1	10%	0.099	36%	0.361	C	S	.	.			trans	-78.1	173.2	179.8	0	0	0	0	0	111.7	L560 L562 E579 L582	L560-A584 HydrophobicContact CB-CB 4.02Å; L560-A584 HydrophobicContact CD2-CB 3.93Å; L560-A584 HydrophobicContact CG-CB 3.82Å; L560-A584 CarbonylContact O-C 3.58Å; L560-A584 WeakPolarHBondContact O-CA 3.26Å; L560-A584 WeakPolarHBondContact O-CB 3.32Å; L562-A584 HydrophobicContact CD1-CB 3.87Å; L562-A584 HydrophobicContact CG-CB 4.02Å; E579-A584 WeakPolarHBondContact CG-O 3.42Å; E579-A584 PolarHBondContact O-N 2.91Å; L582-A584 PolarHBondContact O-N 3.23Å
585	K	90.9	Very high	89.6	Confident	145 Å²	145	67.8 Å²	67.8	63%	0.63	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.9	164.1	-61.4	178.3	-178.9	177.8	0	109.1	L560 V561 L562	L560-K585 PolarHBondContact O-N 3.27Å; V561-K585 CarbonylContact C-O 3.52Å; V561-K585 WeakPolarHBondContact CA-O 3.27Å; V561-K585 HydrophobicContact CG2-CB 4.47Å; L562-K585 PolarHBondContact N-O 2.82Å
586	R	90	Very high	89.6	Confident	92 Å²	92	68 Å²	68	35%	0.347	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	127.4	169.6	-179.8	-169.7	57.9	-95.5	-43.1	110.7	L562 S576 E579	L562-R586 WeakPolarHBondContact O-CA 3.34Å; S576-R586 VanDerWaalsContact CB-NH1 3.27Å; S576-R586 PolarHBondContact OG-NH1 3.47Å; E579-R586 HydrophobicContact CG-CB 4.43Å; E579-R586 WeakPolarHBondContact OE1-CB 3.3Å; E579-R586 IonicContact OE1-CZ 2.68Å; E579-R586 PolarHBondContact OE1-N 3.25Å; E579-R586 IonicContact OE1-NH2 2.92Å; E579-R586 PolarHBondContact OE1-NH2 2.74Å; E579-R586 IonicContact OE2-CZ 2.69Å; E579-R586 IonicContact OE2-NH1 2.81Å; E579-R586 PolarHBondContact OE2-NH1 2.84Å; E579-R586 IonicContact OE2-NH2 3.47Å; E579-R586 PolarHBondContact OE2-NH2 3.18Å
587	C	87	Confident	89.8	Confident	37 Å²	37	66 Å²	66	25%	0.25	35%	0.349	C	S	.	.			trans	-95.4	144	170.2	-67.9	0	0	0	0	110.9	V561 L562 I563 E589 V594	V561-C587 VanDerWaalsContact CG1-SG 3.53Å; L562-C587 PolarHBondContact O-N 2.88Å; I563-C587 WeakPolarHBondContact CG1-O 3.48Å; C587-E589 WeakPolarHBondContact CB-O 3.3Å; C587-V594 HydrophobicContact CB-CG2 4.39Å
588	A	83.8	Confident	89.9	Confident	82 Å²	82	59.4 Å²	59.4	68%	0.678	32%	0.32	S	S	*	.	S	Bend	trans	-86.1	-44.9	172.9	0	0	0	0	0	111.4	K609	A588-K609 PolarHBondContact O-NZ 2.72Å
589	E	88.1	Confident	90	Very high	130 Å²	130	59.4 Å²	59.4	61%	0.607	32%	0.32	S	S	*	.	S	Bend	trans	-103.7	158.2	172.1	-72.3	-50.8	125.2	0	0	111.8	C587 K609	C587-E589 WeakPolarHBondContact CB-O 3.3Å; E589-K609 WeakPolarHBondContact OE1-CE 3.29Å; E589-K609 IonicContact OE1-NZ 3.46Å; E589-K609 PolarHBondContact OE1-NZ 2.71Å; E589-K609 VanDerWaalsContact OE2-CE 3.27Å; E589-K609 WeakPolarHBondContact OE2-CE 3.4Å; E589-K609 IonicContact OE2-NZ 4Å
590	F	90.1	Very high	90	Very high	34 Å²	34	58.9 Å²	58.9	15%	0.149	32%	0.32	C	S	.	.			trans	-77.4	135.4	-179.4	-170.4	-80.9	0	0	0	111.4	I563 V594 V597 K609 L612 N616	I563-F590 HydrophobicContact CD1-CB 4.34Å; F590-V594 HydrophobicContact CD2-CB 4.31Å; F590-V594 HydrophobicContact CD2-CG1 4.28Å; F590-V594 HydrophobicContact CD2-CG2 4.22Å; F590-V594 HydrophobicContact CE2-CB 3.86Å; F590-V594 HydrophobicContact CE2-CG1 3.78Å; F590-V594 HydrophobicContact CE2-CG2 4.28Å; F590-V594 HydrophobicContact CZ-CB 4.13Å; F590-V594 HydrophobicContact CZ-CG1 4.44Å; F590-V597 HydrophobicContact CE2-CG2 4.17Å; F590-K609 HydrophobicContact CB-CG 4.49Å; F590-L612 HydrophobicContact CB-CD1 4.13Å; F590-L612 HydrophobicContact CD1-CB 3.63Å; F590-L612 HydrophobicContact CD1-CD1 4.02Å; F590-L612 HydrophobicContact CD1-CG 4.39Å; F590-L612 HydrophobicContact CD2-CB 4.06Å; F590-L612 HydrophobicContact CE1-CB 3.78Å; F590-L612 HydrophobicContact CE2-CB 4.19Å; F590-L612 HydrophobicContact CG-CB 3.8Å; F590-L612 HydrophobicContact CG-CD1 4.16Å; F590-L612 HydrophobicContact CZ-CB 4.07Å; F590-L612 WeakPolarHBondContact CZ-O 3.5Å; F590-N616 HydrophobicContact CZ-CB 4.19Å
591	D	88.2	Confident	89.5	Confident	72 Å²	72	57.6 Å²	57.6	39%	0.385	31%	0.309	S	S	.	.			trans	-138.7	159.4	171.1	171.1	46.3	0	0	0	110.2	T593 V594	D591-T593 PolarHBondContact O-N 3.3Å; D591-T593 WeakPolarHBondContact OD2-CB 3.43Å; D591-T593 VanDerWaalsContact OD2-CG2 3.28Å; D591-T593 WeakPolarHBondContact OD2-CG2 3.36Å; D591-T593 PolarHBondContact OD2-N 3.07Å; D591-T593 VanDerWaalsContact OD2-N 3.13Å; D591-T593 PolarHBondContact OD2-OG1 2.98Å; D591-V594 VanDerWaalsContact O-CB 3.27Å; D591-V594 WeakPolarHBondContact O-CB 3.44Å; D591-V594 VanDerWaalsContact O-CG2 3.28Å; D591-V594 WeakPolarHBondContact O-CG2 3.26Å; D591-V594 PolarHBondContact O-N 2.66Å
592	S	83.6	Confident	88.9	Confident	80 Å²	80	59.6 Å²	59.6	56%	0.559	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	-22	171.4	59.6	0	0	0	0	115.7
593	T	87.3	Confident	88.6	Confident	83 Å²	83	65.5 Å²	65.5	51%	0.509	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	-8.3	174.2	59.1	0	0	0	0	114.6	V561 D591	V561-T593 WeakPolarHBondContact CB-O 3.27Å; V561-T593 WeakPolarHBondContact CG2-O 3.45Å; D591-T593 PolarHBondContact O-N 3.3Å; D591-T593 WeakPolarHBondContact OD2-CB 3.43Å; D591-T593 VanDerWaalsContact OD2-CG2 3.28Å; D591-T593 WeakPolarHBondContact OD2-CG2 3.36Å; D591-T593 PolarHBondContact OD2-N 3.07Å; D591-T593 VanDerWaalsContact OD2-N 3.13Å; D591-T593 PolarHBondContact OD2-OG1 2.98Å
594	V	92.3	Very high	88.3	Confident	2 Å²	2	57.5 Å²	57.5	1%	0.012	32%	0.315	C	S	.	.			trans	-63.9	137.4	175.8	171.9	0	0	0	0	110.6	V561 I563 C587 F590 D591 V597 C618	V561-V594 HydrophobicContact CG1-CG2 4.29Å; I563-V594 HydrophobicContact CG2-CG1 3.61Å; I563-V594 HydrophobicContact CG2-CG2 4.32Å; C587-V594 HydrophobicContact CB-CG2 4.39Å; F590-V594 HydrophobicContact CD2-CB 4.31Å; F590-V594 HydrophobicContact CD2-CG1 4.28Å; F590-V594 HydrophobicContact CD2-CG2 4.22Å; F590-V594 HydrophobicContact CE2-CB 3.86Å; F590-V594 HydrophobicContact CE2-CG1 3.78Å; F590-V594 HydrophobicContact CE2-CG2 4.28Å; F590-V594 HydrophobicContact CZ-CB 4.13Å; F590-V594 HydrophobicContact CZ-CG1 4.44Å; D591-V594 VanDerWaalsContact O-CB 3.27Å; D591-V594 WeakPolarHBondContact O-CB 3.44Å; D591-V594 VanDerWaalsContact O-CG2 3.28Å; D591-V594 WeakPolarHBondContact O-CG2 3.26Å; D591-V594 PolarHBondContact O-N 2.66Å; V594-V597 HydrophobicContact CG1-CG2 4.16Å; V594-C618 PolarHBondContact O-SG 3.07Å
595	T	91.6	Very high	88.2	Confident	43 Å²	43	60 Å²	60	26%	0.264	32%	0.324	S	S	.	.			trans	-113.9	-34.4	-179.1	60.2	0	0	0	0	112.7	V561 C618 W619	V561-T595 HydrophobicContact CB-CG2 4.35Å; V561-T595 PolarHBondContact N-OG1 3.17Å; V561-T595 PolarHBondContact O-N 3.38Å; V561-T595 PolarHBondContact O-OG1 3.45Å; T595-C618 WeakPolarHBondContact O-CB 3.31Å; T595-W619 PolarHBondContact O-N 2.95Å
596	H	93.7	Very high	88	Confident	3 Å²	3	57.1 Å²	57.1	1%	0.014	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131	-178.4	-56.7	59.5	0	0	0	110.1	L560 V561 L562 I563 W619 E638	L560-H596 WeakPolarHBondContact CD1-CE1 3.32Å; L560-H596 VanDerWaalsContact CD1-ND1 3.27Å; L560-H596 WeakPolarHBondContact CD1-ND1 3.44Å; V561-H596 PolarHBondContact O-N 3.23Å; L562-H596 HydrophobicContact CD2-CB 3.76Å; I563-H596 PolarHBondContact N-O 3.18Å; H596-W619 CarbonylContact C-O 3.55Å; H596-W619 VanDerWaalsContact CA-O 3.3Å; H596-W619 WeakPolarHBondContact CA-O 3.49Å; H596-W619 HydrophobicContact CB-CB 4.33Å; H596-W619 AromaticContact CD2-CD1 3.89Å; H596-W619 AromaticContact CD2-CG 3.91Å; H596-W619 AromaticContact CE1-CD1 3.67Å; H596-W619 AromaticContact NE2-CD1 3.54Å; H596-W619 AromaticContact NE2-CG 3.93Å; H596-E638 IonicContact NE2-OE1 3.36Å
597	V	95.1	Very high	88.1	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	132.7	169.1	-174	0	0	0	0	108.2	I563 F590 V594 C618 W619 I620 L621	I563-V597 HydrophobicContact CG2-CB 4.15Å; I563-V597 HydrophobicContact CG2-CG1 4.13Å; I563-V597 HydrophobicContact CG2-CG2 3.73Å; I563-V597 CarbonylContact O-C 3.52Å; I563-V597 WeakPolarHBondContact O-CA 3.37Å; F590-V597 HydrophobicContact CE2-CG2 4.17Å; V594-V597 HydrophobicContact CG1-CG2 4.16Å; V597-C618 HydrophobicContact CG2-CB 4.36Å; V597-W619 PolarHBondContact N-O 3.05Å; V597-I620 HydrophobicContact CB-CD1 3.64Å; V597-I620 HydrophobicContact CG1-CD1 4.5Å; V597-I620 HydrophobicContact CG2-CD1 3.77Å; V597-I620 WeakPolarHBondContact O-CA 3.16Å; V597-L621 PolarHBondContact O-N 2.79Å
598	I	95.2	Very high	88.4	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	124.9	-177.2	-49.9	-174.4	0	0	0	109.5	I563 S565 L567 L575 L621 F623 W625 V626	I563-I598 PolarHBondContact O-N 3.32Å; S565-I598 PolarHBondContact N-O 2.82Å; L567-I598 HydrophobicContact CD1-CB 4.46Å; L567-I598 HydrophobicContact CD1-CG2 4.47Å; L575-I598 HydrophobicContact CD1-CD1 3.66Å; L575-I598 HydrophobicContact CD2-CD1 4.5Å; I598-L621 WeakPolarHBondContact CA-O 3.43Å; I598-F623 HydrophobicContact CG2-CD2 4.07Å; I598-W625 HydrophobicContact CD1-CE3 3.93Å; I598-W625 HydrophobicContact CD1-CZ3 3.82Å; I598-V626 HydrophobicContact CD1-CG2 3.48Å; I598-V626 VanDerWaalsContact CD1-CG2 3.48Å; I598-V626 HydrophobicContact CG2-CG2 3.86Å
599	V	94.8	Very high	88.9	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	151.9	178.6	-67.3	0	0	0	0	110.8	Q605 I620 L621 F623 V643	V599-Q605 HydrophobicContact CG1-CB 4.3Å; V599-Q605 HydrophobicContact CG1-CG 4.44Å; V599-I620 HydrophobicContact CG1-CG2 4.13Å; V599-L621 WeakPolarHBondContact CG2-O 3.43Å; V599-L621 PolarHBondContact N-O 3.39Å; V599-F623 WeakPolarHBondContact O-CB 3.37Å; V599-F623 PolarHBondContact O-N 2.63Å; V599-V643 HydrophobicContact CG2-CG2 3.87Å
600	P	91.8	Very high	89.1	Confident	27 Å²	27	47.5 Å²	47.5	18%	0.175	27%	0.267	C	S	.	.	S	Bend	trans	-75.4	-30.3	-176.7	27.3	-30.8	0	0	0	113.1	S565 L567	S565-P600 WeakPolarHBondContact O-CD 3.48Å; L567-P600 HydrophobicContact CD2-CB 3.95Å; L567-P600 HydrophobicContact CD2-CG 4.47Å
601	D	80.4	Confident	89.4	Confident	81 Å²	81	46.4 Å²	46.4	43%	0.433	26%	0.262	S	S	.	.	S	Bend	trans	-110.4	-178.5	-169.9	-41.1	-56.2	0	0	0	111.8	E603 Q605	D601-E603 VanDerWaalsContact C-N 3.3Å; D601-E603 PolarHBondContact O-N 2.87Å; D601-Q605 PolarHBondContact OD2-NE2 3.07Å
602	D	77.6	Confident	89.7	Confident	102 Å²	102	43.9 Å²	43.9	55%	0.545	25%	0.248	S	C	.	.	S	Bend	trans	-72.9	-18.4	175.9	-75.7	-67.8	0	0	0	114.4	K622	D602-K622 WeakPolarHBondContact O-CE 3.35Å; D602-K622 VanDerWaalsContact OD1-CD 3.32Å; D602-K622 WeakPolarHBondContact OD1-CD 3.47Å; D602-K622 VanDerWaalsContact OD1-CE 3.26Å; D602-K622 WeakPolarHBondContact OD1-CE 3.46Å; D602-K622 IonicContact OD1-NZ 2.68Å; D602-K622 PolarHBondContact OD1-NZ 2.8Å
603	E	82.8	Confident	90.2	Very high	157 Å²	157	40 Å²	40	73%	0.734	22%	0.222	S	C	*	.	S	Bend	trans	-107.1	158.6	-173.7	-66.2	-170.7	174.9	0	0	113.9	D601 Q605	D601-E603 VanDerWaalsContact C-N 3.3Å; D601-E603 PolarHBondContact O-N 2.87Å; E603-Q605 PolarHBondContact O-N 2.74Å
604	A	82.3	Confident	90.6	Very high	26 Å²	26	36.1 Å²	36.1	22%	0.215	20%	0.198	C	C	.	.			trans	-74.2	107.5	176.5	0	0	0	0	0	110.6	S606 V643 P647 M758	A604-S606 PolarHBondContact O-N 2.99Å; A604-V643 HydrophobicContact CB-CG1 4.04Å; A604-P647 HydrophobicContact CB-CG 4.09Å; A604-M758 HydrophobicContact CB-CE 3.55Å; A604-M758 WeakPolarHBondContact O-CE 3.5Å
605	Q	84.9	Confident	90.7	Very high	65 Å²	65	36.3 Å²	36.3	30%	0.304	20%	0.199	S	C	.	.			trans	-59.9	132.2	175.5	-79	-72	-20	0	0	112	V599 D601 E603 T607 C610	V599-Q605 HydrophobicContact CG1-CB 4.3Å; V599-Q605 HydrophobicContact CG1-CG 4.44Å; D601-Q605 PolarHBondContact OD2-NE2 3.07Å; E603-Q605 PolarHBondContact O-N 2.74Å; Q605-T607 HydrophobicContact CB-CG2 4.22Å; Q605-T607 PolarHBondContact O-N 3.17Å; Q605-C610 WeakPolarHBondContact O-CB 3.37Å; Q605-C610 PolarHBondContact O-SG 3.1Å
606	S	87.9	Confident	90.8	Very high	83 Å²	83	35.6 Å²	35.6	58%	0.58	19%	0.193	S	C	*	.			trans	-74.3	30.1	-178.8	56.9	0	0	0	0	114.5	A604 M611	A604-S606 PolarHBondContact O-N 2.99Å; S606-M611 WeakPolarHBondContact O-CE 3.32Å
607	T	92.4	Very high	90.7	Very high	43 Å²	43	35.9 Å²	35.9	26%	0.264	20%	0.197	S	C	.	.	S	Bend	trans	-89.1	150.1	-177.5	57.9	0	0	0	0	111.8	S565 Q605 K609 C610 M611	S565-T607 PolarHBondContact OG-OG1 3.36Å; Q605-T607 HydrophobicContact CB-CG2 4.22Å; Q605-T607 PolarHBondContact O-N 3.17Å; T607-K609 VanDerWaalsContact C-N 3.26Å; T607-K609 PolarHBondContact O-N 2.9Å; T607-K609 VanDerWaalsContact O-N 3.17Å; T607-C610 WeakPolarHBondContact O-CB 3.41Å; T607-C610 PolarHBondContact O-N 3.13Å; T607-C610 WeakPolarHBondContact OG1-CB 3.38Å; T607-M611 PolarHBondContact O-N 2.81Å
608	L	92.5	Very high	90.6	Very high	44 Å²	44	36 Å²	36	23%	0.23	20%	0.197	C	C	.	.	H	α-helix	trans	-54.1	-39.3	-179.2	-178.3	62.6	0	0	0	113.5	L612 D680 K683 L684	L608-L612 HydrophobicContact CD1-CD1 3.91Å; L608-L612 HydrophobicContact CD1-CG 3.99Å; L608-L612 HydrophobicContact CG-CD1 3.85Å; L608-L612 HydrophobicContact CG-CG 4.34Å; L608-L612 VanDerWaalsContact O-CB 3.32Å; L608-L612 WeakPolarHBondContact O-CB 3.45Å; L608-L612 VanDerWaalsContact O-CG 3.24Å; L608-L612 WeakPolarHBondContact O-CG 3.29Å; L608-L612 PolarHBondContact O-N 3.15Å; L608-D680 HydrophobicContact CD1-CB 4.07Å; L608-D680 HydrophobicContact CD2-CB 4.02Å; L608-D680 VanDerWaalsContact CD2-OD1 3.31Å; L608-D680 WeakPolarHBondContact CD2-OD1 3.31Å; L608-K683 HydrophobicContact CD2-CD 4.16Å; L608-L684 HydrophobicContact CD1-CD1 4.43Å; L608-L684 HydrophobicContact CD1-CD2 3.88Å; L608-L684 HydrophobicContact CD1-CG 3.96Å
609	K	93.6	Very high	90.6	Very high	53 Å²	53	37.7 Å²	37.7	23%	0.23	20%	0.204	C	C	.	.	H	α-helix	trans	-70.9	-30.9	-179.8	-61	178.8	-179.9	-174.1	0	112.4	I563 A588 E589 F590 T607 G613	I563-K609 HydrophobicContact CD1-CD 4.01Å; I563-K609 HydrophobicContact CD1-CG 4.5Å; A588-K609 PolarHBondContact O-NZ 2.72Å; E589-K609 WeakPolarHBondContact OE1-CE 3.29Å; E589-K609 IonicContact OE1-NZ 3.46Å; E589-K609 PolarHBondContact OE1-NZ 2.71Å; E589-K609 VanDerWaalsContact OE2-CE 3.27Å; E589-K609 WeakPolarHBondContact OE2-CE 3.4Å; E589-K609 IonicContact OE2-NZ 4Å; F590-K609 HydrophobicContact CB-CG 4.49Å; T607-K609 VanDerWaalsContact C-N 3.26Å; T607-K609 PolarHBondContact O-N 2.9Å; T607-K609 VanDerWaalsContact O-N 3.17Å; K609-G613 PolarHBondContact O-N 2.84Å
610	C	94.1	Very high	90.6	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-74.1	-51.1	173.6	-173.6	0	0	0	0	110.5	Q605 T607 L612 G613 I614	Q605-C610 WeakPolarHBondContact O-CB 3.37Å; Q605-C610 PolarHBondContact O-SG 3.1Å; T607-C610 WeakPolarHBondContact O-CB 3.41Å; T607-C610 PolarHBondContact O-N 3.13Å; T607-C610 WeakPolarHBondContact OG1-CB 3.38Å; C610-L612 VanDerWaalsContact C-N 3.33Å; C610-L612 PolarHBondContact O-N 2.79Å; C610-G613 CarbonylContact O-C 3.53Å; C610-G613 WeakPolarHBondContact O-CA 3.13Å; C610-G613 PolarHBondContact O-N 3.04Å; C610-I614 WeakPolarHBondContact O-CG1 3.39Å; C610-I614 PolarHBondContact O-N 2.82Å
611	M	95.3	Very high	90.7	Very high	11 Å²	11	36.4 Å²	36.4	5%	0.054	20%	0.196	C	C	.	.	H	α-helix	trans	-56.6	-41.9	176.6	-74.7	-171.4	-73.6	0	0	113.3	S606 T607 G613 I614 L615 L684 I754 V757 M758	S606-M611 WeakPolarHBondContact O-CE 3.32Å; T607-M611 PolarHBondContact O-N 2.81Å; M611-G613 VanDerWaalsContact C-N 3.33Å; M611-I614 PolarHBondContact O-N 3.07Å; M611-L615 WeakPolarHBondContact O-CB 3.47Å; M611-L615 WeakPolarHBondContact O-CG 3.42Å; M611-L615 PolarHBondContact O-N 3.28Å; M611-L684 HydrophobicContact CB-CD2 3.56Å; M611-L684 HydrophobicContact CE-CD1 3.93Å; M611-L684 HydrophobicContact SD-CD1 3.86Å; M611-L684 HydrophobicContact SD-CD2 4.4Å; M611-I754 HydrophobicContact CE-CD1 3.98Å; M611-I754 HydrophobicContact SD-CD1 3.66Å; M611-I754 HydrophobicContact SD-CG2 3.94Å; M611-V757 HydrophobicContact CB-CG1 3.75Å; M611-V757 HydrophobicContact CG-CG1 3.84Å; M611-V757 HydrophobicContact SD-CG1 4.22Å; M611-M758 HydrophobicContact CG-CG 4.44Å; M611-M758 HydrophobicContact CG-SD 3.41Å; M611-M758 WeakPolarHBondContact CG-SD 3.45Å; M611-M758 HydrophobicContact SD-SD 4.24Å
612	L	94.8	Very high	91.4	Very high	18 Å²	18	35 Å²	35	9%	0.094	19%	0.185	C	C	.	.	H	α-helix	trans	-67.4	-33.4	173.4	-71.8	171.9	0	0	0	112.3	F590 L608 C610 N616 K683 L684 A687	F590-L612 HydrophobicContact CB-CD1 4.13Å; F590-L612 HydrophobicContact CD1-CB 3.63Å; F590-L612 HydrophobicContact CD1-CD1 4.02Å; F590-L612 HydrophobicContact CD1-CG 4.39Å; F590-L612 HydrophobicContact CD2-CB 4.06Å; F590-L612 HydrophobicContact CE1-CB 3.78Å; F590-L612 HydrophobicContact CE2-CB 4.19Å; F590-L612 HydrophobicContact CG-CB 3.8Å; F590-L612 HydrophobicContact CG-CD1 4.16Å; F590-L612 HydrophobicContact CZ-CB 4.07Å; F590-L612 WeakPolarHBondContact CZ-O 3.5Å; L608-L612 HydrophobicContact CD1-CD1 3.91Å; L608-L612 HydrophobicContact CD1-CG 3.99Å; L608-L612 HydrophobicContact CG-CD1 3.85Å; L608-L612 HydrophobicContact CG-CG 4.34Å; L608-L612 VanDerWaalsContact O-CB 3.32Å; L608-L612 WeakPolarHBondContact O-CB 3.45Å; L608-L612 VanDerWaalsContact O-CG 3.24Å; L608-L612 WeakPolarHBondContact O-CG 3.29Å; L608-L612 PolarHBondContact O-N 3.15Å; C610-L612 VanDerWaalsContact C-N 3.33Å; C610-L612 PolarHBondContact O-N 2.79Å; L612-N616 WeakPolarHBondContact O-CB 3.43Å; L612-N616 PolarHBondContact O-N 2.81Å; L612-N616 VanDerWaalsContact O-N 3.14Å; L612-N616 PolarHBondContact O-ND2 2.84Å; L612-K683 HydrophobicContact CD2-CB 4.45Å; L612-L684 HydrophobicContact CD2-CD2 4.04Å; L612-L684 HydrophobicContact CG-CD2 4.18Å; L612-A687 HydrophobicContact CD2-CB 3.65Å
613	G	94.3	Very high	92.3	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-62.3	-48.5	171.3	0	0	0	0	0	112.4	K609 C610 M611 N616 G617 C618	K609-G613 PolarHBondContact O-N 2.84Å; C610-G613 CarbonylContact O-C 3.53Å; C610-G613 WeakPolarHBondContact O-CA 3.13Å; C610-G613 PolarHBondContact O-N 3.04Å; M611-G613 VanDerWaalsContact C-N 3.33Å; G613-N616 CarbonylContact O-C 3.57Å; G613-N616 PolarHBondContact O-N 2.79Å; G613-G617 PolarHBondContact O-N 2.73Å; G613-C618 WeakPolarHBondContact O-CB 3.31Å; G613-C618 PolarHBondContact O-N 3.32Å
614	I	95.6	Very high	92.8	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-56.5	-55.2	174.7	-61.8	169.4	0	0	0	108.8	C610 M611 N616 G617 I620 P647 S650 V757 M758 F760	C610-I614 WeakPolarHBondContact O-CG1 3.39Å; C610-I614 PolarHBondContact O-N 2.82Å; M611-I614 PolarHBondContact O-N 3.07Å; I614-N616 PolarHBondContact O-N 3.45Å; I614-G617 PolarHBondContact O-N 2.79Å; I614-I620 HydrophobicContact CG1-CD1 4.33Å; I614-I620 HydrophobicContact CG1-CG1 4.02Å; I614-P647 HydrophobicContact CD1-CG 4.07Å; I614-P647 HydrophobicContact CG1-CB 4.38Å; I614-P647 HydrophobicContact CG1-CG 4.07Å; I614-S650 VanDerWaalsContact O-CB 3.23Å; I614-S650 WeakPolarHBondContact O-CB 3.3Å; I614-S650 PolarHBondContact O-OG 2.87Å; I614-V757 WeakPolarHBondContact CG2-O 3.34Å; I614-M758 HydrophobicContact CD1-CE 4.22Å; I614-M758 HydrophobicContact CD1-SD 4.1Å; I614-F760 HydrophobicContact CG2-CB 4.24Å; I614-F760 HydrophobicContact CG2-CD2 4.19Å
615	L	94.8	Very high	93.4	Very high	6 Å²	6	25.2 Å²	25.2	3%	0.031	13%	0.134	C	C	.	.	H	α-helix	trans	-63.4	-11.7	-178.6	-68.6	175.4	0	0	0	116	M611 L661 L684 A687 A688 V757 F760	M611-L615 WeakPolarHBondContact O-CB 3.47Å; M611-L615 WeakPolarHBondContact O-CG 3.42Å; M611-L615 PolarHBondContact O-N 3.28Å; L615-L661 HydrophobicContact CD2-CB 4.26Å; L615-L661 HydrophobicContact CD2-CD2 3.92Å; L615-L684 HydrophobicContact CD1-CB 4.24Å; L615-L684 HydrophobicContact CD1-CD2 3.82Å; L615-L684 WeakPolarHBondContact CD1-O 3.33Å; L615-A687 HydrophobicContact CB-CB 4.25Å; L615-A687 HydrophobicContact CD1-CB 4.19Å; L615-A688 HydrophobicContact CD1-CB 3.97Å; L615-A688 HydrophobicContact CD2-CB 3.65Å; L615-A688 HydrophobicContact CG-CB 4.35Å; L615-V757 HydrophobicContact CD1-CG1 3.82Å; L615-V757 HydrophobicContact CD1-CG2 4.06Å; L615-V757 HydrophobicContact CD2-CG1 4.09Å; L615-V757 HydrophobicContact CD2-CG2 4.22Å; L615-V757 HydrophobicContact CG-CG1 3.75Å; L615-V757 HydrophobicContact CG-CG2 4.45Å; L615-F760 HydrophobicContact CD2-CD2 4.46Å; L615-F760 HydrophobicContact CD2-CE2 4.43Å
616	N	92.3	Very high	93.9	Very high	29 Å²	29	22.1 Å²	22.1	16%	0.155	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	9.3	171.4	-73.5	-83.9	0	0	0	112.6	F590 L612 G613 I614 C618 R654	F590-N616 HydrophobicContact CZ-CB 4.19Å; L612-N616 WeakPolarHBondContact O-CB 3.43Å; L612-N616 PolarHBondContact O-N 2.81Å; L612-N616 VanDerWaalsContact O-N 3.14Å; L612-N616 PolarHBondContact O-ND2 2.84Å; G613-N616 CarbonylContact O-C 3.57Å; G613-N616 PolarHBondContact O-N 2.79Å; I614-N616 PolarHBondContact O-N 3.45Å; N616-C618 PolarHBondContact O-N 3.44Å; N616-R654 WeakPolarHBondContact O-CD 3.39Å; N616-R654 PolarHBondContact O-NH1 2.97Å
617	G	92.8	Very high	94.1	Very high	8 Å²	8	23.5 Å²	23.5	8%	0.082	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	37.8	-178	0	0	0	0	0	112.8	G613 I614	G613-G617 PolarHBondContact O-N 2.73Å; I614-G617 PolarHBondContact O-N 2.79Å
618	C	93.5	Very high	94.2	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.014	11%	0.111	C	C	.	.			trans	-76.7	153.9	173	-59.3	0	0	0	0	110.1	V594 T595 V597 G613 N616 I620	V594-C618 PolarHBondContact O-SG 3.07Å; T595-C618 WeakPolarHBondContact O-CB 3.31Å; V597-C618 HydrophobicContact CG2-CB 4.36Å; G613-C618 WeakPolarHBondContact O-CB 3.31Å; G613-C618 PolarHBondContact O-N 3.32Å; N616-C618 PolarHBondContact O-N 3.44Å; C618-I620 HydrophobicContact CB-CD1 4.42Å; C618-I620 PolarHBondContact O-N 3.49Å
619	W	93.9	Very high	94.3	Very high	37 Å²	37	20.4 Å²	20.4	14%	0.14	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	117.4	168.3	-67.2	98.3	0	0	0	109.7	T595 H596 V597 L621 E638 E639	T595-W619 PolarHBondContact O-N 2.95Å; H596-W619 CarbonylContact C-O 3.55Å; H596-W619 VanDerWaalsContact CA-O 3.3Å; H596-W619 WeakPolarHBondContact CA-O 3.49Å; H596-W619 HydrophobicContact CB-CB 4.33Å; H596-W619 AromaticContact CD2-CD1 3.89Å; H596-W619 AromaticContact CD2-CG 3.91Å; H596-W619 AromaticContact CE1-CD1 3.67Å; H596-W619 AromaticContact NE2-CD1 3.54Å; H596-W619 AromaticContact NE2-CG 3.93Å; V597-W619 PolarHBondContact N-O 3.05Å; W619-L621 HydrophobicContact CB-CD1 4.48Å; W619-L621 HydrophobicContact CB-CD2 4.05Å; W619-L621 HydrophobicContact CB-CG 4.04Å; W619-L621 HydrophobicContact CE3-CD2 4.2Å; W619-E638 HydrophobicContact CD2-CB 3.84Å; W619-E638 HydrophobicContact CD2-CG 4.33Å; W619-E638 HydrophobicContact CE3-CB 3.62Å; W619-E638 HydrophobicContact CH2-CB 4.13Å; W619-E638 HydrophobicContact CZ2-CB 4.33Å; W619-E638 HydrophobicContact CZ3-CB 3.77Å; W619-E639 HydrophobicContact CH2-CG 3.7Å; W619-E639 HydrophobicContact CZ3-CG 3.91Å
620	I	95.1	Very high	94.3	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	104.2	172.2	-47.6	-57.1	0	0	0	107.1	V597 V599 I614 C618 V643 P647	V597-I620 HydrophobicContact CB-CD1 3.64Å; V597-I620 HydrophobicContact CG1-CD1 4.5Å; V597-I620 HydrophobicContact CG2-CD1 3.77Å; V597-I620 WeakPolarHBondContact O-CA 3.16Å; V599-I620 HydrophobicContact CG1-CG2 4.13Å; I614-I620 HydrophobicContact CG1-CD1 4.33Å; I614-I620 HydrophobicContact CG1-CG1 4.02Å; C618-I620 HydrophobicContact CB-CD1 4.42Å; C618-I620 PolarHBondContact O-N 3.49Å; I620-V643 HydrophobicContact CG2-CB 4.39Å; I620-V643 HydrophobicContact CG2-CG2 4.19Å; I620-V643 PolarHBondContact O-N 2.77Å; I620-P647 HydrophobicContact CB-CB 3.78Å; I620-P647 HydrophobicContact CB-CG 4.18Å; I620-P647 HydrophobicContact CG1-CB 3.63Å; I620-P647 HydrophobicContact CG1-CG 4.14Å; I620-P647 HydrophobicContact CG2-CG 4.48Å
621	L	94.9	Very high	94.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	141.9	-169.9	-57	-170.5	0	0	0	112.5	V597 I598 V599 W619 W625 E638 Y641 E642	V597-L621 PolarHBondContact O-N 2.79Å; I598-L621 WeakPolarHBondContact CA-O 3.43Å; V599-L621 WeakPolarHBondContact CG2-O 3.43Å; V599-L621 PolarHBondContact N-O 3.39Å; W619-L621 HydrophobicContact CB-CD1 4.48Å; W619-L621 HydrophobicContact CB-CD2 4.05Å; W619-L621 HydrophobicContact CB-CG 4.04Å; W619-L621 HydrophobicContact CE3-CD2 4.2Å; L621-W625 HydrophobicContact CB-CB 4.37Å; L621-W625 HydrophobicContact CD1-CB 4.29Å; L621-W625 HydrophobicContact CD1-CD2 3.51Å; L621-W625 HydrophobicContact CD1-CE3 3.97Å; L621-W625 HydrophobicContact CD1-CG 3.67Å; L621-W625 HydrophobicContact CD1-CZ2 4.25Å; L621-E638 HydrophobicContact CD1-CB 4.18Å; L621-E638 HydrophobicContact CD1-CG 3.99Å; L621-E638 HydrophobicContact CD2-CB 4.25Å; L621-Y641 WeakPolarHBondContact CA-O 3.4Å; L621-E642 HydrophobicContact CD2-CB 4.18Å
622	K	95.1	Very high	94.1	Very high	50 Å²	50	29.4 Å²	29.4	22%	0.217	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	147.1	170.9	-60.7	178.4	176.8	-163.5	0	110.7	D602 D624 W625 Y641 V643	D602-K622 WeakPolarHBondContact O-CE 3.35Å; D602-K622 VanDerWaalsContact OD1-CD 3.32Å; D602-K622 WeakPolarHBondContact OD1-CD 3.47Å; D602-K622 VanDerWaalsContact OD1-CE 3.26Å; D602-K622 WeakPolarHBondContact OD1-CE 3.46Å; D602-K622 IonicContact OD1-NZ 2.68Å; D602-K622 PolarHBondContact OD1-NZ 2.8Å; K622-D624 PolarHBondContact O-N 2.78Å; K622-W625 WeakPolarHBondContact O-CB 3.33Å; K622-W625 PolarHBondContact O-N 2.76Å; K622-Y641 PolarHBondContact N-O 2.78Å; K622-V643 HydrophobicContact CG-CG2 4.01Å
623	F	94.9	Very high	93.9	Very high	10 Å²	10	36 Å²	36	4%	0.044	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-19.6	-178.8	-170.6	-100.6	0	0	0	114	L567 Q571 M574 I598 V599 W625 V626 K627	L567-F623 HydrophobicContact CD1-CD2 4.33Å; L567-F623 HydrophobicContact CD1-CE2 4.41Å; L567-F623 HydrophobicContact CD2-CD2 3.87Å; Q571-F623 HydrophobicContact CB-CD2 4.11Å; Q571-F623 HydrophobicContact CB-CE1 4.38Å; Q571-F623 HydrophobicContact CB-CE2 3.55Å; Q571-F623 HydrophobicContact CB-CZ 3.73Å; Q571-F623 HydrophobicContact CG-CD1 4.07Å; Q571-F623 HydrophobicContact CG-CD2 4.1Å; Q571-F623 HydrophobicContact CG-CE1 3.77Å; Q571-F623 HydrophobicContact CG-CE2 3.8Å; Q571-F623 HydrophobicContact CG-CG 4.25Å; Q571-F623 HydrophobicContact CG-CZ 3.64Å; M574-F623 HydrophobicContact CB-CZ 3.9Å; M574-F623 HydrophobicContact CE-CE1 3.98Å; M574-F623 HydrophobicContact CE-CZ 4.03Å; M574-F623 HydrophobicContact SD-CE1 4.08Å; M574-F623 HydrophobicContact SD-CZ 3.95Å; I598-F623 HydrophobicContact CG2-CD2 4.07Å; V599-F623 WeakPolarHBondContact O-CB 3.37Å; V599-F623 PolarHBondContact O-N 2.63Å; F623-W625 PolarHBondContact O-N 2.85Å; F623-V626 HydrophobicContact CD2-CB 4.14Å; F623-V626 HydrophobicContact CD2-CG2 4.04Å; F623-V626 HydrophobicContact CE2-CB 3.86Å; F623-V626 HydrophobicContact CE2-CG1 3.88Å; F623-V626 HydrophobicContact CE2-CG2 4.01Å; F623-V626 HydrophobicContact CZ-CB 4.12Å; F623-V626 HydrophobicContact CZ-CG1 3.94Å; F623-V626 WeakPolarHBondContact O-CA 3.48Å; F623-V626 VanDerWaalsContact O-CB 3.31Å; F623-V626 WeakPolarHBondContact O-CB 3.44Å; F623-V626 PolarHBondContact O-N 3.27Å; F623-K627 HydrophobicContact CD1-CG 4.22Å; F623-K627 HydrophobicContact CE1-CG 4.09Å; F623-K627 PolarHBondContact O-N 3.28Å
624	D	94.3	Very high	93.7	Very high	71 Å²	71	40.4 Å²	40.4	38%	0.38	20%	0.204	S	C	.	.	H	α-helix	trans	-62.7	-25	174.5	-74.7	-7.3	0	0	0	114	K622 V626 K627 A628 Y641	K622-D624 PolarHBondContact O-N 2.78Å; D624-V626 VanDerWaalsContact C-N 3.27Å; D624-V626 PolarHBondContact O-N 2.99Å; D624-K627 PolarHBondContact O-N 2.8Å; D624-K627 VanDerWaalsContact OD1-CD 3.25Å; D624-K627 WeakPolarHBondContact OD1-CD 3.23Å; D624-K627 WeakPolarHBondContact OD1-CE 3.32Å; D624-K627 IonicContact OD1-NZ 3.1Å; D624-K627 PolarHBondContact OD1-NZ 2.99Å; D624-A628 WeakPolarHBondContact O-CB 3.49Å; D624-A628 PolarHBondContact O-N 3.41Å; D624-Y641 HydrophobicContact CB-CD1 4.09Å; D624-Y641 HydrophobicContact CB-CE1 4.13Å
625	W	94.9	Very high	93.4	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-60.3	-38.8	169	-177.9	80	0	0	0	111.6	L562 L578 L582 I598 L621 K622 F623 A628 C629 R635 E636 E638 Y641	L562-W625 HydrophobicContact CD2-CH2 4.19Å; L562-W625 HydrophobicContact CD2-CZ3 4.25Å; L578-W625 HydrophobicContact CD2-CE3 4.13Å; L578-W625 HydrophobicContact CD2-CH2 4.28Å; L578-W625 HydrophobicContact CD2-CZ3 3.63Å; L582-W625 HydrophobicContact CD1-CH2 4.11Å; L582-W625 HydrophobicContact CD1-CZ2 4.49Å; I598-W625 HydrophobicContact CD1-CE3 3.93Å; I598-W625 HydrophobicContact CD1-CZ3 3.82Å; L621-W625 HydrophobicContact CB-CB 4.37Å; L621-W625 HydrophobicContact CD1-CB 4.29Å; L621-W625 HydrophobicContact CD1-CD2 3.51Å; L621-W625 HydrophobicContact CD1-CE3 3.97Å; L621-W625 HydrophobicContact CD1-CG 3.67Å; L621-W625 HydrophobicContact CD1-CZ2 4.25Å; K622-W625 WeakPolarHBondContact O-CB 3.33Å; K622-W625 PolarHBondContact O-N 2.76Å; F623-W625 PolarHBondContact O-N 2.85Å; W625-A628 PolarHBondContact O-N 3.34Å; W625-C629 VanDerWaalsContact CE2-SG 3.51Å; W625-C629 WeakPolarHBondContact O-CB 3.45Å; W625-C629 PolarHBondContact O-N 2.9Å; W625-C629 PolarHBondContact O-SG 3.48Å; W625-R635 HydrophobicContact CZ2-CG 4.32Å; W625-E636 PolarHBondContact NE1-O 3.46Å; W625-E638 HydrophobicContact CZ2-CG 4.48Å; W625-Y641 HydrophobicContact CB-CD1 4.2Å; W625-Y641 HydrophobicContact CB-CD2 4.26Å; W625-Y641 HydrophobicContact CB-CG 3.82Å; W625-Y641 AromaticContact CD1-CD2 3.75Å; W625-Y641 HydrophobicContact CG-CD2 4.42Å; W625-Y641 HydrophobicContact CG-CG 4.42Å
626	V	94.1	Very high	93.2	Very high	0 Å²	0	46 Å²	46	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.1	-41.4	175.8	179.8	0	0	0	0	110.8	M574 L575 L578 I598 F623 D624 L630	M574-V626 HydrophobicContact CB-CG1 4.37Å; L575-V626 HydrophobicContact CD1-CG2 4.44Å; L578-V626 HydrophobicContact CB-CG1 4.37Å; L578-V626 HydrophobicContact CD2-CB 4.3Å; L578-V626 HydrophobicContact CD2-CG1 4.08Å; L578-V626 HydrophobicContact CD2-CG2 4.07Å; I598-V626 HydrophobicContact CD1-CG2 3.48Å; I598-V626 VanDerWaalsContact CD1-CG2 3.48Å; I598-V626 HydrophobicContact CG2-CG2 3.86Å; F623-V626 HydrophobicContact CD2-CB 4.14Å; F623-V626 HydrophobicContact CD2-CG2 4.04Å; F623-V626 HydrophobicContact CE2-CB 3.86Å; F623-V626 HydrophobicContact CE2-CG1 3.88Å; F623-V626 HydrophobicContact CE2-CG2 4.01Å; F623-V626 HydrophobicContact CZ-CB 4.12Å; F623-V626 HydrophobicContact CZ-CG1 3.94Å; F623-V626 WeakPolarHBondContact O-CA 3.48Å; F623-V626 VanDerWaalsContact O-CB 3.31Å; F623-V626 WeakPolarHBondContact O-CB 3.44Å; F623-V626 PolarHBondContact O-N 3.27Å; D624-V626 VanDerWaalsContact C-N 3.27Å; D624-V626 PolarHBondContact O-N 2.99Å; V626-L630 HydrophobicContact CG1-CD1 3.89Å; V626-L630 HydrophobicContact CG1-CG 4.42Å; V626-L630 VanDerWaalsContact O-CB 3.3Å; V626-L630 WeakPolarHBondContact O-CB 3.33Å; V626-L630 WeakPolarHBondContact O-CG 3.22Å; V626-L630 PolarHBondContact O-N 3.13Å; V626-L630 VanDerWaalsContact O-N 3.08Å
627	K	93.9	Very high	93.1	Very high	111 Å²	111	49.6 Å²	49.6	48%	0.483	24%	0.242	S	C	.	.	H	α-helix	trans	-60.7	-47	175.2	-59	-179.4	-168.5	160.5	0	110.8	M574 F623 D624 L630 H631	M574-K627 HydrophobicContact CE-CG 4.32Å; F623-K627 HydrophobicContact CD1-CG 4.22Å; F623-K627 HydrophobicContact CE1-CG 4.09Å; F623-K627 PolarHBondContact O-N 3.28Å; D624-K627 PolarHBondContact O-N 2.8Å; D624-K627 VanDerWaalsContact OD1-CD 3.25Å; D624-K627 WeakPolarHBondContact OD1-CD 3.23Å; D624-K627 WeakPolarHBondContact OD1-CE 3.32Å; D624-K627 IonicContact OD1-NZ 3.1Å; D624-K627 PolarHBondContact OD1-NZ 2.99Å; K627-L630 PolarHBondContact O-N 2.76Å; K627-H631 PolarHBondContact O-N 2.93Å; K627-H631 VanDerWaalsContact O-N 3.12Å
628	A	94.2	Very high	93.1	Very high	22 Å²	22	49.3 Å²	49.3	18%	0.182	24%	0.239	C	C	.	.	H	α-helix	trans	-66	-50.1	-177.7	0	0	0	0	0	112.1	D624 W625 L630 H631 S632 E636 Y641	D624-A628 WeakPolarHBondContact O-CB 3.49Å; D624-A628 PolarHBondContact O-N 3.41Å; W625-A628 PolarHBondContact O-N 3.34Å; A628-L630 VanDerWaalsContact C-N 3.28Å; A628-L630 PolarHBondContact O-N 2.81Å; A628-H631 WeakPolarHBondContact O-CB 3.49Å; A628-H631 PolarHBondContact O-N 2.86Å; A628-S632 PolarHBondContact O-N 2.83Å; A628-S632 PolarHBondContact O-OG 2.88Å; A628-E636 HydrophobicContact CB-CG 3.79Å; A628-Y641 HydrophobicContact CB-CE1 4.49Å
629	C	93.8	Very high	93	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-62.2	-32.9	177	-62	0	0	0	0	113.1	L578 W625 H631 K633 V634 E636	L578-C629 HydrophobicContact CD1-CB 3.42Å; L578-C629 VanDerWaalsContact CD1-CB 3.42Å; L578-C629 HydrophobicContact CD2-CB 4.32Å; W625-C629 VanDerWaalsContact CE2-SG 3.51Å; W625-C629 WeakPolarHBondContact O-CB 3.45Å; W625-C629 PolarHBondContact O-N 2.9Å; W625-C629 PolarHBondContact O-SG 3.48Å; C629-H631 VanDerWaalsContact C-N 3.32Å; C629-K633 WeakPolarHBondContact O-CA 3.47Å; C629-K633 PolarHBondContact O-N 2.88Å; C629-V634 WeakPolarHBondContact CA-O 3.5Å; C629-V634 WeakPolarHBondContact CB-O 3.05Å; C629-E636 HydrophobicContact CB-CG 4.45Å; C629-E636 VanDerWaalsContact SG-CB 3.56Å; C629-E636 PolarHBondContact SG-N 2.85Å
630	L	93.9	Very high	92.9	Very high	44 Å²	44	58.2 Å²	58.2	23%	0.23	28%	0.28	C	S	.	.	H	α-helix	trans	-70.8	-27.8	174	-76.3	173.9	0	0	0	112.8	M574 K577 L578 V626 K627 A628	M574-L630 HydrophobicContact CB-CD1 4.01Å; M574-L630 HydrophobicContact CE-CD1 3.93Å; M574-L630 HydrophobicContact CG-CD1 4.5Å; K577-L630 HydrophobicContact CB-CD2 3.96Å; L578-L630 HydrophobicContact CB-CD2 4.08Å; L578-L630 HydrophobicContact CB-CG 4.33Å; L578-L630 HydrophobicContact CD1-CD2 4.22Å; L578-L630 HydrophobicContact CD1-CG 4.25Å; V626-L630 HydrophobicContact CG1-CD1 3.89Å; V626-L630 HydrophobicContact CG1-CG 4.42Å; V626-L630 VanDerWaalsContact O-CB 3.3Å; V626-L630 WeakPolarHBondContact O-CB 3.33Å; V626-L630 WeakPolarHBondContact O-CG 3.22Å; V626-L630 PolarHBondContact O-N 3.13Å; V626-L630 VanDerWaalsContact O-N 3.08Å; K627-L630 PolarHBondContact O-N 2.76Å; A628-L630 VanDerWaalsContact C-N 3.28Å; A628-L630 PolarHBondContact O-N 2.81Å
631	H	93.8	Very high	92.8	Very high	166 Å²	166	59.9 Å²	59.9	77%	0.769	29%	0.286	S	S	*	.	H	α-helix	trans	-79.2	-51.2	178	-175.9	-96.2	0	0	0	111.7	K627 A628 C629 K633	K627-H631 PolarHBondContact O-N 2.93Å; K627-H631 VanDerWaalsContact O-N 3.12Å; A628-H631 WeakPolarHBondContact O-CB 3.49Å; A628-H631 PolarHBondContact O-N 2.86Å; C629-H631 VanDerWaalsContact C-N 3.32Å; H631-K633 VanDerWaalsContact C-N 3.34Å
632	S	92.3	Very high	92.8	Very high	44 Å²	44	60.6 Å²	60.6	31%	0.308	29%	0.289	S	S	.	.	H	α-helix	trans	-75.9	-21	178.4	62.9	0	0	0	0	113.7	A628 V634 E636	A628-S632 PolarHBondContact O-N 2.83Å; A628-S632 PolarHBondContact O-OG 2.88Å; S632-V634 PolarHBondContact O-N 3.17Å; S632-V634 PolarHBondContact OG-N 2.76Å; S632-V634 PolarHBondContact OG-O 3.26Å; S632-E636 WeakPolarHBondContact CB-OE1 3.47Å; S632-E636 PolarHBondContact OG-OE1 3.11Å
633	K	90.1	Very high	92.7	Very high	156 Å²	156	58.4 Å²	58.4	68%	0.678	28%	0.28	S	S	*	.	S	Bend	trans	61.6	15	-169.8	-52.8	172.5	-174.2	167.5	0	113.7	V581 C629 H631	V581-K633 HydrophobicContact CG1-CB 4.16Å; C629-K633 WeakPolarHBondContact O-CA 3.47Å; C629-K633 PolarHBondContact O-N 2.88Å; H631-K633 VanDerWaalsContact C-N 3.34Å
634	V	89.6	Confident	92.5	Very high	93 Å²	93	62 Å²	62	56%	0.564	30%	0.304	S	S	*	.	S	Bend	trans	-116.1	159.8	178.8	178.4	0	0	0	0	108.5	C629 S632 E636	C629-V634 WeakPolarHBondContact CA-O 3.5Å; C629-V634 WeakPolarHBondContact CB-O 3.05Å; S632-V634 PolarHBondContact O-N 3.17Å; S632-V634 PolarHBondContact OG-N 2.76Å; S632-V634 PolarHBondContact OG-O 3.26Å; V634-E636 PolarHBondContact O-N 3.43Å; V634-E636 VanDerWaalsContact O-N 3.17Å
635	R	88.9	Confident	92.3	Very high	72 Å²	72	60.3 Å²	60.3	27%	0.272	30%	0.304	S	S	.	.			trans	-73.9	101.4	171.1	-178.8	173.8	173.2	-175.6	-9	108.9	R556 L582 W625 E638	R556-R635 PolarHBondContact O-NH1 2.77Å; L582-R635 HydrophobicContact CD1-CB 4.41Å; L582-R635 HydrophobicContact CD2-CB 4.06Å; W625-R635 HydrophobicContact CZ2-CG 4.32Å; R635-E638 IonicContact CZ-OE1 2.74Å; R635-E638 IonicContact NE-OE1 3.66Å; R635-E638 PolarHBondContact NE-OE1 2.83Å; R635-E638 IonicContact NH2-OE1 3.3Å; R635-E638 PolarHBondContact NH2-OE1 3.37Å
636	E	90.3	Very high	92.2	Very high	52 Å²	52	60.7 Å²	60.7	24%	0.243	31%	0.308	C	S	.	.			trans	-64.5	151.3	175.8	-67.9	-64	147.1	0	0	111.9	W625 A628 C629 S632 V634 E638 Y641	W625-E636 PolarHBondContact NE1-O 3.46Å; A628-E636 HydrophobicContact CB-CG 3.79Å; C629-E636 HydrophobicContact CB-CG 4.45Å; C629-E636 VanDerWaalsContact SG-CB 3.56Å; C629-E636 PolarHBondContact SG-N 2.85Å; S632-E636 WeakPolarHBondContact CB-OE1 3.47Å; S632-E636 PolarHBondContact OG-OE1 3.11Å; V634-E636 PolarHBondContact O-N 3.43Å; V634-E636 VanDerWaalsContact O-N 3.17Å; E636-E638 PolarHBondContact O-N 2.85Å; E636-Y641 HydrophobicContact CB-CE2 4.38Å
637	Q	90.3	Very high	92.2	Very high	103 Å²	103	60.8 Å²	60.8	48%	0.481	31%	0.308	S	S	.	.			trans	-63.2	120.7	-177.7	179.7	159.5	8.1	0	0	112.1	E639 Y641	Q637-E639 VanDerWaalsContact CD-OE2 3.28Å; Q637-E639 WeakPolarHBondContact CG-OE2 3.49Å; Q637-E639 PolarHBondContact NE2-OE2 2.8Å; Q637-Y641 WeakPolarHBondContact O-CD2 3.48Å
638	E	92.6	Very high	92.1	Very high	2 Å²	2	59 Å²	59	1%	0.009	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-69	-38.2	-170.3	-63.1	91.2	158.4	0	0	113.9	R556 H596 W619 L621 W625 R635 E636 K640 Y641 E642	R556-E638 IonicContact CZ-OE2 3.9Å; R556-E638 IonicContact NE-OE2 3.46Å; R556-E638 PolarHBondContact NE-OE2 3.27Å; H596-E638 IonicContact NE2-OE1 3.36Å; W619-E638 HydrophobicContact CD2-CB 3.84Å; W619-E638 HydrophobicContact CD2-CG 4.33Å; W619-E638 HydrophobicContact CE3-CB 3.62Å; W619-E638 HydrophobicContact CH2-CB 4.13Å; W619-E638 HydrophobicContact CZ2-CB 4.33Å; W619-E638 HydrophobicContact CZ3-CB 3.77Å; L621-E638 HydrophobicContact CD1-CB 4.18Å; L621-E638 HydrophobicContact CD1-CG 3.99Å; L621-E638 HydrophobicContact CD2-CB 4.25Å; W625-E638 HydrophobicContact CZ2-CG 4.48Å; R635-E638 IonicContact CZ-OE1 2.74Å; R635-E638 IonicContact NE-OE1 3.66Å; R635-E638 PolarHBondContact NE-OE1 2.83Å; R635-E638 IonicContact NH2-OE1 3.3Å; R635-E638 PolarHBondContact NH2-OE1 3.37Å; E636-E638 PolarHBondContact O-N 2.85Å; E638-K640 PolarHBondContact O-N 3.22Å; E638-K640 VanDerWaalsContact O-N 3.07Å; E638-Y641 PolarHBondContact O-N 2.99Å; E638-E642 PolarHBondContact O-N 3.28Å; E638-E642 VanDerWaalsContact O-N 3.13Å
639	E	91.2	Very high	92.1	Very high	75 Å²	75	62.3 Å²	62.3	35%	0.35	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-61.8	-24.1	-174.3	-56.3	80.6	-176.3	0	0	112.5	R556 W619 Q637 Y641	R556-E639 IonicContact CZ-OE1 3.93Å; R556-E639 VanDerWaalsContact NH2-CD 3.27Å; R556-E639 IonicContact NH2-OE1 2.87Å; R556-E639 PolarHBondContact NH2-OE1 3.07Å; R556-E639 IonicContact NH2-OE2 2.85Å; R556-E639 PolarHBondContact NH2-OE2 3.25Å; W619-E639 HydrophobicContact CH2-CG 3.7Å; W619-E639 HydrophobicContact CZ3-CG 3.91Å; Q637-E639 VanDerWaalsContact CD-OE2 3.28Å; Q637-E639 WeakPolarHBondContact CG-OE2 3.49Å; Q637-E639 PolarHBondContact NE2-OE2 2.8Å; E639-Y641 VanDerWaalsContact C-N 3.32Å
640	K	91.9	Very high	92.1	Very high	152 Å²	152	62.5 Å²	62.5	66%	0.661	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-73	-22.2	176.6	-179.7	-179.7	171.9	-160.9	0	113.4	E638	E638-K640 PolarHBondContact O-N 3.22Å; E638-K640 VanDerWaalsContact O-N 3.07Å
641	Y	93.4	Very high	92.1	Very high	35 Å²	35	61.3 Å²	61.3	14%	0.137	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	8.2	-174.7	-58.7	-90.4	0	0	0	112.8	L621 K622 D624 W625 A628 E636 Q637 E638 E639	L621-Y641 WeakPolarHBondContact CA-O 3.4Å; K622-Y641 PolarHBondContact N-O 2.78Å; D624-Y641 HydrophobicContact CB-CD1 4.09Å; D624-Y641 HydrophobicContact CB-CE1 4.13Å; W625-Y641 HydrophobicContact CB-CD1 4.2Å; W625-Y641 HydrophobicContact CB-CD2 4.26Å; W625-Y641 HydrophobicContact CB-CG 3.82Å; W625-Y641 AromaticContact CD1-CD2 3.75Å; W625-Y641 HydrophobicContact CG-CD2 4.42Å; W625-Y641 HydrophobicContact CG-CG 4.42Å; A628-Y641 HydrophobicContact CB-CE1 4.49Å; E636-Y641 HydrophobicContact CB-CE2 4.38Å; Q637-Y641 WeakPolarHBondContact O-CD2 3.48Å; E638-Y641 PolarHBondContact O-N 2.99Å; E639-Y641 VanDerWaalsContact C-N 3.32Å
642	E	94.6	Very high	91.9	Very high	14 Å²	14	56.6 Å²	56.6	7%	0.065	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-66.7	140.1	175	179.4	166	-125.3	0	0	111.2	L621 E638 Q648 R651	L621-E642 HydrophobicContact CD2-CB 4.18Å; E638-E642 PolarHBondContact O-N 3.28Å; E638-E642 VanDerWaalsContact O-N 3.13Å; E642-Q648 HydrophobicContact CG-CB 4.36Å; E642-Q648 WeakPolarHBondContact OE2-CG 3.34Å; E642-Q648 PolarHBondContact OE2-NE2 3.49Å; E642-Q648 VanDerWaalsContact OE2-NE2 3.16Å; E642-R651 IonicContact OE1-CZ 2.66Å; E642-R651 IonicContact OE1-NE 3.53Å; E642-R651 PolarHBondContact OE1-NE 3Å; E642-R651 IonicContact OE1-NH2 2.78Å; E642-R651 IonicContact OE2-CZ 2.62Å; E642-R651 IonicContact OE2-NE 2.7Å; E642-R651 PolarHBondContact OE2-NE 2.89Å; E642-R651 IonicContact OE2-NH2 3.08Å; E642-R651 PolarHBondContact OE2-NH2 2.8Å
643	V	93.3	Very high	91.9	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.024	28%	0.276	C	S	.	.	P	Polyproline II helix	trans	-76.1	122	172.4	178.2	0	0	0	0	108.9	V599 A604 I620 K622 P647	V599-V643 HydrophobicContact CG2-CG2 3.87Å; A604-V643 HydrophobicContact CB-CG1 4.04Å; I620-V643 HydrophobicContact CG2-CB 4.39Å; I620-V643 HydrophobicContact CG2-CG2 4.19Å; I620-V643 PolarHBondContact O-N 2.77Å; K622-V643 HydrophobicContact CG-CG2 4.01Å; V643-P647 HydrophobicContact CB-CG 4.25Å; V643-P647 HydrophobicContact CG1-CG 4.19Å; V643-P647 WeakPolarHBondContact O-CB 3.1Å
644	P	91.1	Very high	91.8	Very high	85 Å²	85	54.1 Å²	54.1	55%	0.552	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	167.3	-175.1	29.5	-36.1	0	0	0	112.9
645	G	90.8	Very high	91.6	Very high	37 Å²	37	53.6 Å²	53.6	38%	0.381	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.6	-130.2	177.5	0	0	0	0	0	112.9	Q648 K649	G645-Q648 PolarHBondContact O-N 3.14Å; G645-K649 PolarHBondContact O-N 2.85Å
646	G	92.1	Very high	91.4	Very high	7 Å²	7	55.5 Å²	55.5	7%	0.072	27%	0.27	C	S	.	.	H	α-helix	trans	-54.1	-43.4	-173.8	0	0	0	0	0	116.1	Q648 K649 S650 M758 A759 F760	G646-Q648 PolarHBondContact O-N 3.36Å; G646-K649 PolarHBondContact O-N 3.33Å; G646-S650 PolarHBondContact O-N 3.25Å; G646-M758 WeakPolarHBondContact CA-O 3.42Å; G646-A759 VanDerWaalsContact CA-C 3.46Å; G646-A759 VanDerWaalsContact CA-O 3.26Å; G646-A759 WeakPolarHBondContact CA-O 3.32Å; G646-F760 VanDerWaalsContact O-CB 3.27Å; G646-F760 WeakPolarHBondContact O-CB 3.45Å
647	P	93.8	Very high	91.1	Very high	2 Å²	2	54.2 Å²	54.2	1%	0.013	27%	0.265	C	S	.	.	H	α-helix	trans	-55.5	-51.5	173.9	-27.7	35.8	0	0	0	113.2	A604 I614 I620 V643 S650 R651	A604-P647 HydrophobicContact CB-CG 4.09Å; I614-P647 HydrophobicContact CD1-CG 4.07Å; I614-P647 HydrophobicContact CG1-CB 4.38Å; I614-P647 HydrophobicContact CG1-CG 4.07Å; I620-P647 HydrophobicContact CB-CB 3.78Å; I620-P647 HydrophobicContact CB-CG 4.18Å; I620-P647 HydrophobicContact CG1-CB 3.63Å; I620-P647 HydrophobicContact CG1-CG 4.14Å; I620-P647 HydrophobicContact CG2-CG 4.48Å; V643-P647 HydrophobicContact CB-CG 4.25Å; V643-P647 HydrophobicContact CG1-CG 4.19Å; V643-P647 WeakPolarHBondContact O-CB 3.1Å; P647-S650 PolarHBondContact O-N 3.22Å; P647-R651 PolarHBondContact O-N 2.72Å
648	Q	92.4	Very high	91	Very high	75 Å²	75	50.4 Å²	50.4	35%	0.35	25%	0.248	S	C	.	.	H	α-helix	trans	-64.8	-43.5	-179.6	-178.5	172.3	65.8	0	0	111.9	E642 G645 G646 S650 R651 L652	E642-Q648 HydrophobicContact CG-CB 4.36Å; E642-Q648 WeakPolarHBondContact OE2-CG 3.34Å; E642-Q648 PolarHBondContact OE2-NE2 3.49Å; E642-Q648 VanDerWaalsContact OE2-NE2 3.16Å; G645-Q648 PolarHBondContact O-N 3.14Å; G646-Q648 PolarHBondContact O-N 3.36Å; Q648-S650 VanDerWaalsContact C-N 3.28Å; Q648-S650 PolarHBondContact O-N 3.12Å; Q648-R651 PolarHBondContact O-N 2.66Å; Q648-L652 HydrophobicContact CG-CD1 4.1Å; Q648-L652 WeakPolarHBondContact O-CG 3.49Å; Q648-L652 PolarHBondContact O-N 3.49Å
649	K	93.3	Very high	90.8	Very high	91 Å²	91	50.3 Å²	50.3	40%	0.396	25%	0.247	S	C	.	.	H	α-helix	trans	-52.6	-46.9	170.9	-76.1	179.2	-180	173.2	0	111.1	G645 G646 N653 A759 F760 E761	G645-K649 PolarHBondContact O-N 2.85Å; G646-K649 PolarHBondContact O-N 3.33Å; K649-N653 VanDerWaalsContact O-CB 3.26Å; K649-N653 WeakPolarHBondContact O-CB 3.41Å; K649-N653 PolarHBondContact O-N 2.94Å; K649-A759 WeakPolarHBondContact CD-O 3.28Å; K649-F760 HydrophobicContact CB-CB 4.24Å; K649-F760 HydrophobicContact CB-CD1 4.08Å; K649-E761 IonicContact NZ-OE2 2.79Å; K649-E761 PolarHBondContact NZ-OE2 3.01Å
650	S	94.5	Very high	90.9	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.021	25%	0.247	C	C	.	.	H	α-helix	trans	-72.5	-34.6	-177.7	-165.1	0	0	0	0	114.2	I614 G646 P647 Q648 R654 F760	I614-S650 VanDerWaalsContact O-CB 3.23Å; I614-S650 WeakPolarHBondContact O-CB 3.3Å; I614-S650 PolarHBondContact O-OG 2.87Å; G646-S650 PolarHBondContact O-N 3.25Å; P647-S650 PolarHBondContact O-N 3.22Å; Q648-S650 VanDerWaalsContact C-N 3.28Å; Q648-S650 PolarHBondContact O-N 3.12Å; S650-R654 PolarHBondContact O-N 2.86Å; S650-F760 VanDerWaalsContact CB-CD2 3.4Å; S650-F760 VanDerWaalsContact OG-CD2 3.31Å; S650-F760 WeakPolarHBondContact OG-CD2 3.47Å; S650-F760 WeakPolarHBondContact OG-CE2 3.29Å; S650-F760 WeakPolarHBondContact OG-CZ 3.48Å
651	R	93.8	Very high	91	Very high	19 Å²	19	43.3 Å²	43.3	7%	0.072	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-49.6	174.9	-178	-176.6	55.6	77.6	-2.3	110.2	E642 P647 Q648 N653 R654 E655	E642-R651 IonicContact OE1-CZ 2.66Å; E642-R651 IonicContact OE1-NE 3.53Å; E642-R651 PolarHBondContact OE1-NE 3Å; E642-R651 IonicContact OE1-NH2 2.78Å; E642-R651 IonicContact OE2-CZ 2.62Å; E642-R651 IonicContact OE2-NE 2.7Å; E642-R651 PolarHBondContact OE2-NE 2.89Å; E642-R651 IonicContact OE2-NH2 3.08Å; E642-R651 PolarHBondContact OE2-NH2 2.8Å; P647-R651 PolarHBondContact O-N 2.72Å; Q648-R651 PolarHBondContact O-N 2.66Å; R651-N653 VanDerWaalsContact C-N 3.33Å; R651-N653 PolarHBondContact O-N 2.81Å; R651-R654 PolarHBondContact O-N 3.04Å; R651-R654 VanDerWaalsContact O-N 3.12Å; R651-E655 WeakPolarHBondContact CD-OE1 3.47Å; R651-E655 VanDerWaalsContact CG-OE1 3.29Å; R651-E655 WeakPolarHBondContact CG-OE1 3.2Å; R651-E655 IonicContact CZ-OE1 2.88Å; R651-E655 IonicContact NE-OE1 3.79Å; R651-E655 IonicContact NH1-OE1 2.69Å; R651-E655 PolarHBondContact NH1-OE1 3.33Å; R651-E655 IonicContact NH1-OE2 2.96Å; R651-E655 PolarHBondContact NH1-OE2 3.05Å; R651-E655 WeakPolarHBondContact O-CG 3.48Å; R651-E655 PolarHBondContact O-N 3.12Å
652	L	90.4	Very high	91.1	Very high	68 Å²	68	41.7 Å²	41.7	36%	0.356	21%	0.209	S	C	.	.	H	α-helix	trans	-60.4	-41.7	177.4	-66.5	171.1	0	0	0	111.8	Q648 R654 E655 Q656	Q648-L652 HydrophobicContact CG-CD1 4.1Å; Q648-L652 WeakPolarHBondContact O-CG 3.49Å; Q648-L652 PolarHBondContact O-N 3.49Å; L652-R654 VanDerWaalsContact C-N 3.34Å; L652-R654 PolarHBondContact O-N 3.44Å; L652-E655 PolarHBondContact O-N 3.39Å; L652-Q656 WeakPolarHBondContact O-CB 3.23Å; L652-Q656 VanDerWaalsContact O-CG 3.26Å; L652-Q656 WeakPolarHBondContact O-CG 3.28Å; L652-Q656 PolarHBondContact O-N 3.32Å
653	N	91.3	Very high	90.9	Very high	18 Å²	18	41.9 Å²	41.9	10%	0.096	21%	0.211	C	C	.	.	H	α-helix	trans	-58.2	-41.6	173.7	175	-94.9	0	0	0	112.8	K649 R651 L657 L658 P659 H713 F760	K649-N653 VanDerWaalsContact O-CB 3.26Å; K649-N653 WeakPolarHBondContact O-CB 3.41Å; K649-N653 PolarHBondContact O-N 2.94Å; R651-N653 VanDerWaalsContact C-N 3.33Å; R651-N653 PolarHBondContact O-N 2.81Å; N653-L657 PolarHBondContact O-N 3.35Å; N653-L658 VanDerWaalsContact ND2-CB 3.26Å; N653-L658 WeakPolarHBondContact ND2-CB 3.45Å; N653-L658 PolarHBondContact O-N 2.87Å; N653-L658 VanDerWaalsContact O-N 3.11Å; N653-P659 PolarHBondContact ND2-O 2.82Å; N653-P659 PolarHBondContact OD1-O 3.47Å; N653-H713 PolarHBondContact ND2-CE1 2.78Å; N653-H713 VanDerWaalsContact ND2-CE1 3.34Å; N653-F760 HydrophobicContact CB-CE1 3.65Å; N653-F760 HydrophobicContact CB-CZ 4.13Å; N653-F760 WeakPolarHBondContact OD1-CZ 3.38Å
654	R	87.6	Confident	90.5	Very high	130 Å²	130	41.8 Å²	41.8	49%	0.491	21%	0.211	S	C	.	.	H	α-helix	trans	-69.9	-39.3	175.4	179.5	172.6	-178.8	-166.3	-0	112.5	N616 S650 R651 L652 Q656 L657	N616-R654 WeakPolarHBondContact O-CD 3.39Å; N616-R654 PolarHBondContact O-NH1 2.97Å; S650-R654 PolarHBondContact O-N 2.86Å; R651-R654 PolarHBondContact O-N 3.04Å; R651-R654 VanDerWaalsContact O-N 3.12Å; L652-R654 VanDerWaalsContact C-N 3.34Å; L652-R654 PolarHBondContact O-N 3.44Å; R654-Q656 VanDerWaalsContact C-N 3.32Å; R654-L657 PolarHBondContact O-N 3.32Å
655	E	86.6	Confident	90.5	Very high	81 Å²	81	37.8 Å²	37.8	38%	0.379	19%	0.185	S	C	.	.	H	α-helix	trans	-64.5	-38	177.7	-75.3	169.4	-173.2	0	0	111.9	R651 L652 L657	R651-E655 WeakPolarHBondContact CD-OE1 3.47Å; R651-E655 VanDerWaalsContact CG-OE1 3.29Å; R651-E655 WeakPolarHBondContact CG-OE1 3.2Å; R651-E655 IonicContact CZ-OE1 2.88Å; R651-E655 IonicContact NE-OE1 3.79Å; R651-E655 IonicContact NH1-OE1 2.69Å; R651-E655 PolarHBondContact NH1-OE1 3.33Å; R651-E655 IonicContact NH1-OE2 2.96Å; R651-E655 PolarHBondContact NH1-OE2 3.05Å; R651-E655 WeakPolarHBondContact O-CG 3.48Å; R651-E655 PolarHBondContact O-N 3.12Å; L652-E655 PolarHBondContact O-N 3.39Å; E655-L657 PolarHBondContact O-N 3.03Å
656	Q	84.5	Confident	90.6	Very high	113 Å²	113	37.9 Å²	37.9	53%	0.528	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	5.2	175.8	-66.6	171.5	6.3	0	0	114.3	L652 R654 L658	L652-Q656 WeakPolarHBondContact O-CB 3.23Å; L652-Q656 VanDerWaalsContact O-CG 3.26Å; L652-Q656 WeakPolarHBondContact O-CG 3.28Å; L652-Q656 PolarHBondContact O-N 3.32Å; R654-Q656 VanDerWaalsContact C-N 3.32Å; Q656-L658 VanDerWaalsContact C-N 3.25Å; Q656-L658 HydrophobicContact CB-CD1 4.12Å; Q656-L658 HydrophobicContact CB-CG 3.84Å; Q656-L658 PolarHBondContact O-N 3.09Å
657	L	83.7	Confident	90.7	Very high	24 Å²	24	37.6 Å²	37.6	13%	0.126	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	40.9	-179.7	-55.7	179.5	0	0	0	113.5	N474 L476 V477 N653 R654 E655	N474-L657 HydrophobicContact CB-CD2 3.67Å; L476-L657 VanDerWaalsContact CA-O 3.3Å; L476-L657 WeakPolarHBondContact CA-O 3.41Å; L476-L657 VanDerWaalsContact CD2-C 3.44Å; L476-L657 HydrophobicContact CD2-CB 4.29Å; L476-L657 VanDerWaalsContact CD2-O 3.26Å; L476-L657 WeakPolarHBondContact CD2-O 3.18Å; V477-L657 HydrophobicContact CG2-CB 4.35Å; V477-L657 PolarHBondContact N-O 3.21Å; N653-L657 PolarHBondContact O-N 3.35Å; R654-L657 PolarHBondContact O-N 3.32Å; E655-L657 PolarHBondContact O-N 3.03Å
658	L	87.9	Confident	90.7	Very high	23 Å²	23	39.4 Å²	39.4	12%	0.12	18%	0.178	C	C	.	.	P	Polyproline II helix	trans	-90.5	158.8	179.3	-64.7	-177.1	0	0	0	112.5	L476 N478 N653 Q656	L476-L658 WeakPolarHBondContact CD2-O 3.26Å; N478-L658 HydrophobicContact CB-CD2 4.11Å; N478-L658 WeakPolarHBondContact ND2-CD2 3.45Å; N653-L658 VanDerWaalsContact ND2-CB 3.26Å; N653-L658 WeakPolarHBondContact ND2-CB 3.45Å; N653-L658 PolarHBondContact O-N 2.87Å; N653-L658 VanDerWaalsContact O-N 3.11Å; Q656-L658 VanDerWaalsContact C-N 3.25Å; Q656-L658 HydrophobicContact CB-CD1 4.12Å; Q656-L658 HydrophobicContact CB-CG 3.84Å; Q656-L658 PolarHBondContact O-N 3.09Å
659	P	89.6	Confident	90.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	16%	0.164	C	C	.	.	P	Polyproline II helix	trans	-56.3	146.6	175.1	-26	36.3	0	0	0	112.6	N478 N653 D663 Y712 H713	N478-P659 HydrophobicContact CB-CG 4.36Å; N478-P659 WeakPolarHBondContact O-CG 3.5Å; N653-P659 PolarHBondContact ND2-O 2.82Å; N653-P659 PolarHBondContact OD1-O 3.47Å; P659-D663 HydrophobicContact CB-CB 4.07Å; P659-Y712 HydrophobicContact CB-CD1 4.2Å; P659-Y712 HydrophobicContact CB-CD2 4.4Å; P659-Y712 HydrophobicContact CB-CG 3.9Å; P659-Y712 HydrophobicContact CG-CD1 4.19Å; P659-Y712 HydrophobicContact CG-CD2 3.75Å; P659-Y712 HydrophobicContact CG-CE2 4.21Å; P659-Y712 HydrophobicContact CG-CG 3.74Å; P659-H713 PolarHBondContact O-NE2 2.9Å
660	K	92.4	Very high	90.1	Very high	80 Å²	80	32.6 Å²	32.6	35%	0.348	15%	0.152	S	C	.	.	P	Polyproline II helix	trans	-66.7	157.4	176.3	-63.2	-174	160.2	-159.9	0	111.9	F662 D663 A687 A688 H713	K660-F662 PolarHBondContact O-N 3.45Å; K660-D663 PolarHBondContact O-N 2.96Å; K660-A687 WeakPolarHBondContact CD-O 3.42Å; K660-A687 PolarHBondContact NZ-O 3.17Å; K660-A688 WeakPolarHBondContact CB-O 3.38Å; K660-H713 PolarHBondContact O-CD2 3.07Å
661	L	94.6	Very high	89.4	Confident	1 Å²	1	35 Å²	35	1%	0.005	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-41.9	-41.3	-174.7	-173.2	62.4	0	0	0	115	L615 A688 H713 V757 F760	L615-L661 HydrophobicContact CD2-CB 4.26Å; L615-L661 HydrophobicContact CD2-CD2 3.92Å; L661-A688 HydrophobicContact CB-CB 4.44Å; L661-H713 WeakPolarHBondContact CA-CD2 3.37Å; L661-H713 HydrophobicContact CD1-CB 4.27Å; L661-H713 PolarHBondContact O-CD2 3.28Å; L661-V757 HydrophobicContact CD2-CG2 4.4Å; L661-F760 HydrophobicContact CB-CD2 4.16Å; L661-F760 HydrophobicContact CB-CE2 3.7Å; L661-F760 HydrophobicContact CB-CZ 4.13Å; L661-F760 HydrophobicContact CD1-CD2 4.31Å; L661-F760 HydrophobicContact CD1-CE2 4.48Å; L661-F760 HydrophobicContact CD1-CG 4.39Å; L661-F760 HydrophobicContact CD2-CD2 4.2Å; L661-F760 HydrophobicContact CG-CD2 4.46Å; L661-F760 HydrophobicContact CG-CE2 4.46Å
662	F	94.7	Very high	88.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.4	21.6	-176.1	-62.1	-25.2	0	0	0	114	K660 G664 C665 F667 A688 G690 L753 C756 V757 L762	K660-F662 PolarHBondContact O-N 3.45Å; F662-G664 PolarHBondContact O-N 3.23Å; F662-C665 HydrophobicContact CB-CB 4.13Å; F662-C665 WeakPolarHBondContact O-CB 3.49Å; F662-C665 PolarHBondContact O-N 2.91Å; F662-F667 HydrophobicContact CB-CE2 3.91Å; F662-F667 HydrophobicContact CB-CZ 4.11Å; F662-F667 AromaticContact CD1-CZ 3.97Å; F662-F667 HydrophobicContact CD1-CZ 3.97Å; F662-F667 HydrophobicContact CD2-CE1 4.45Å; F662-F667 AromaticContact CD2-CE2 3.86Å; F662-F667 HydrophobicContact CD2-CE2 3.86Å; F662-F667 AromaticContact CD2-CZ 3.58Å; F662-F667 HydrophobicContact CD2-CZ 3.58Å; F662-F667 HydrophobicContact CE1-CZ 4.29Å; F662-F667 HydrophobicContact CE2-CE1 4.42Å; F662-F667 AromaticContact CE2-CZ 3.95Å; F662-F667 HydrophobicContact CE2-CZ 3.95Å; F662-F667 AromaticContact CG-CE2 3.91Å; F662-F667 HydrophobicContact CG-CE2 3.91Å; F662-F667 AromaticContact CG-CZ 3.63Å; F662-F667 HydrophobicContact CG-CZ 3.63Å; F662-F667 HydrophobicContact CZ-CZ 4.29Å; F662-A688 WeakPolarHBondContact CA-O 3.33Å; F662-A688 HydrophobicContact CB-CB 3.96Å; F662-A688 HydrophobicContact CD2-CB 3.35Å; F662-A688 HydrophobicContact CE2-CB 4.01Å; F662-A688 HydrophobicContact CG-CB 3.82Å; F662-A688 PolarHBondContact N-O 3.5Å; F662-G690 WeakPolarHBondContact O-CA 3.45Å; F662-L753 HydrophobicContact CE2-CG 4.26Å; F662-L753 HydrophobicContact CZ-CG 4.36Å; F662-C756 HydrophobicContact CE1-CB 4.16Å; F662-C756 HydrophobicContact CZ-CB 4.05Å; F662-V757 HydrophobicContact CE2-CG2 4.24Å; F662-V757 HydrophobicContact CZ-CG2 4.23Å; F662-L762 HydrophobicContact CD1-CD1 4.17Å; F662-L762 HydrophobicContact CE1-CD1 3.91Å
663	D	89.6	Confident	88.7	Confident	18 Å²	18	39.3 Å²	39.3	10%	0.096	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	139.1	168	-170.5	21.3	0	0	0	110.1	K447 P659 K660 C665	K447-D663 VanDerWaalsContact NZ-CG 3.3Å; K447-D663 IonicContact NZ-OD1 3.97Å; K447-D663 PolarHBondContact NZ-OD1 3.21Å; K447-D663 IonicContact NZ-OD2 3.91Å; K447-D663 PolarHBondContact NZ-OD2 2.95Å; P659-D663 HydrophobicContact CB-CB 4.07Å; K660-D663 PolarHBondContact O-N 2.96Å; D663-C665 PolarHBondContact O-N 3.3Å
664	G	85.6	Confident	88.3	Confident	3 Å²	3	46.4 Å²	46.4	3%	0.031	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.8	-17.8	-170.2	0	0	0	0	0	115.7	F662 Y666 T709	F662-G664 PolarHBondContact O-N 3.23Å; G664-Y666 VanDerWaalsContact O-CD2 3.32Å; G664-Y666 WeakPolarHBondContact O-CD2 3.4Å; G664-Y666 WeakPolarHBondContact O-CE2 3.46Å; G664-T709 PolarHBondContact O-OG1 3.13Å
665	C	92	Very high	88	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.238	C	C	.	.			trans	-88	146.6	-175.4	-63.9	0	0	0	0	114.1	F662 D663 F667 K691 A711 T724 Y726	F662-C665 HydrophobicContact CB-CB 4.13Å; F662-C665 WeakPolarHBondContact O-CB 3.49Å; F662-C665 PolarHBondContact O-N 2.91Å; D663-C665 PolarHBondContact O-N 3.3Å; C665-F667 HydrophobicContact CB-CD2 4.43Å; C665-F667 HydrophobicContact CB-CE2 3.47Å; C665-F667 VanDerWaalsContact CB-CE2 3.47Å; C665-F667 HydrophobicContact CB-CZ 3.8Å; C665-K691 PolarHBondContact O-N 3.3Å; C665-A711 VanDerWaalsContact SG-CB 3.53Å; C665-T724 WeakPolarHBondContact CA-O 3.42Å; C665-Y726 HydrophobicContact CB-CD2 4.45Å; C665-Y726 HydrophobicContact CB-CE2 4.09Å
666	Y	92.6	Very high	88.1	Confident	40 Å²	40	45.5 Å²	45.5	16%	0.157	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128	-177.9	-71.7	-102.3	0	0	0	111.2	G664 K691 L693 I707 T709 T724 Q725 Y726	G664-Y666 VanDerWaalsContact O-CD2 3.32Å; G664-Y666 WeakPolarHBondContact O-CD2 3.4Å; G664-Y666 WeakPolarHBondContact O-CE2 3.46Å; Y666-K691 CarbonylContact C-O 3.55Å; Y666-K691 VanDerWaalsContact CA-O 3.28Å; Y666-K691 WeakPolarHBondContact CA-O 3.37Å; Y666-K691 HydrophobicContact CD1-CB 3.79Å; Y666-K691 HydrophobicContact CD1-CD 4.27Å; Y666-K691 HydrophobicContact CE1-CB 3.92Å; Y666-K691 HydrophobicContact CE1-CD 3.58Å; Y666-K691 HydrophobicContact CE1-CG 4.41Å; Y666-K691 HydrophobicContact CE2-CD 4.08Å; Y666-K691 HydrophobicContact CG-CB 4.31Å; Y666-K691 VanDerWaalsContact CZ-CD 3.46Å; Y666-K691 WeakPolarHBondContact OH-CD 3.5Å; Y666-K691 PolarHBondContact OH-NZ 3.4Å; Y666-L693 HydrophobicContact CD1-CD2 3.88Å; Y666-L693 HydrophobicContact CD1-CG 4.41Å; Y666-I707 HydrophobicContact CD2-CG2 4.36Å; Y666-I707 HydrophobicContact CE2-CG2 4.16Å; Y666-T709 HydrophobicContact CE2-CG2 4.01Å; Y666-T709 WeakPolarHBondContact CE2-OG1 3.37Å; Y666-T724 PolarHBondContact N-O 3.32Å; Y666-Q725 CarbonylContact O-C 3.57Å; Y666-Q725 WeakPolarHBondContact O-CA 3.41Å; Y666-Y726 PolarHBondContact O-N 3.04Å
667	F	94.8	Very high	88.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	133.6	-172.4	-61.1	-95.8	0	0	0	112.3	F662 C665 I685 K691 V692 L693 Y726 V728 W752 L753	F662-F667 HydrophobicContact CB-CE2 3.91Å; F662-F667 HydrophobicContact CB-CZ 4.11Å; F662-F667 AromaticContact CD1-CZ 3.97Å; F662-F667 HydrophobicContact CD1-CZ 3.97Å; F662-F667 HydrophobicContact CD2-CE1 4.45Å; F662-F667 AromaticContact CD2-CE2 3.86Å; F662-F667 HydrophobicContact CD2-CE2 3.86Å; F662-F667 AromaticContact CD2-CZ 3.58Å; F662-F667 HydrophobicContact CD2-CZ 3.58Å; F662-F667 HydrophobicContact CE1-CZ 4.29Å; F662-F667 HydrophobicContact CE2-CE1 4.42Å; F662-F667 AromaticContact CE2-CZ 3.95Å; F662-F667 HydrophobicContact CE2-CZ 3.95Å; F662-F667 AromaticContact CG-CE2 3.91Å; F662-F667 HydrophobicContact CG-CE2 3.91Å; F662-F667 AromaticContact CG-CZ 3.63Å; F662-F667 HydrophobicContact CG-CZ 3.63Å; F662-F667 HydrophobicContact CZ-CZ 4.29Å; C665-F667 HydrophobicContact CB-CD2 4.43Å; C665-F667 HydrophobicContact CB-CE2 3.47Å; C665-F667 VanDerWaalsContact CB-CE2 3.47Å; C665-F667 HydrophobicContact CB-CZ 3.8Å; F667-I685 HydrophobicContact CB-CD1 3.76Å; F667-I685 HydrophobicContact CB-CG1 4.41Å; F667-I685 HydrophobicContact CB-CG2 4.19Å; F667-I685 HydrophobicContact CD1-CD1 4.26Å; F667-I685 HydrophobicContact CD1-CG1 4.36Å; F667-I685 HydrophobicContact CD2-CG1 4.3Å; F667-I685 HydrophobicContact CD2-CG2 3.42Å; F667-I685 VanDerWaalsContact CD2-CG2 3.42Å; F667-I685 HydrophobicContact CE2-CG2 3.99Å; F667-I685 HydrophobicContact CG-CD1 3.94Å; F667-I685 HydrophobicContact CG-CG1 4.1Å; F667-I685 HydrophobicContact CG-CG2 3.93Å; F667-K691 PolarHBondContact N-O 3.02Å; F667-V692 WeakPolarHBondContact O-CA 3.36Å; F667-L693 PolarHBondContact O-N 2.94Å; F667-Y726 CarbonylContact C-O 3.54Å; F667-Y726 WeakPolarHBondContact CA-O 3.19Å; F667-Y726 HydrophobicContact CD1-CD2 4.32Å; F667-Y726 HydrophobicContact CD1-CG 4.31Å; F667-Y726 AromaticContact CE1-CD2 3.92Å; F667-Y726 HydrophobicContact CE1-CD2 3.92Å; F667-Y726 HydrophobicContact CE1-CG 4.07Å; F667-Y726 HydrophobicContact CZ-CD2 4.14Å; F667-V728 HydrophobicContact CD1-CG2 3.94Å; F667-W752 HydrophobicContact CE1-CH2 4.36Å; F667-W752 HydrophobicContact CE1-CZ3 4.16Å; F667-L753 HydrophobicContact CD1-CD1 4.08Å; F667-L753 HydrophobicContact CE1-CD1 4.11Å
668	F	93.6	Very high	88.7	Confident	40 Å²	40	46.3 Å²	46.3	18%	0.175	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	113.6	168.3	176.5	-102	0	0	0	110.1	G670 L693 R695 K696 P697 Y726 I727 V728	F668-G670 PolarHBondContact O-N 3Å; F668-G670 VanDerWaalsContact O-N 3.17Å; F668-L693 HydrophobicContact CB-CB 4.24Å; F668-L693 HydrophobicContact CD2-CB 4.49Å; F668-L693 WeakPolarHBondContact CD2-O 3.4Å; F668-R695 WeakPolarHBondContact CD2-O 3.42Å; F668-R695 VanDerWaalsContact CE2-C 3.4Å; F668-K696 HydrophobicContact CD1-CB 3.98Å; F668-K696 HydrophobicContact CD1-CG 3.89Å; F668-K696 HydrophobicContact CE1-CB 3.62Å; F668-K696 HydrophobicContact CE1-CD 4.5Å; F668-K696 HydrophobicContact CE1-CG 3.78Å; F668-K696 HydrophobicContact CE2-CB 4.26Å; F668-K696 VanDerWaalsContact CE2-N 3.26Å; F668-K696 HydrophobicContact CG-CB 4.43Å; F668-K696 HydrophobicContact CZ-CB 3.78Å; F668-K696 HydrophobicContact CZ-CG 4.45Å; F668-P697 HydrophobicContact CB-CG 4.43Å; F668-Y726 PolarHBondContact N-O 3.18Å; F668-I727 HydrophobicContact CD1-CG1 4.49Å; F668-I727 HydrophobicContact CD1-CG2 4.35Å; F668-V728 PolarHBondContact O-N 3.45Å
669	L	91.9	Very high	88.9	Confident	10 Å²	10	50.8 Å²	50.8	5%	0.052	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	93	177.1	-60.8	-176.5	0	0	0	110	F673 K678 L681 I685 V728	L669-F673 HydrophobicContact CB-CE2 4.05Å; L669-F673 HydrophobicContact CB-CZ 4.16Å; L669-F673 HydrophobicContact CD2-CZ 4.44Å; L669-K678 HydrophobicContact CB-CG 4.35Å; L669-K678 HydrophobicContact CD1-CG 3.86Å; L669-K678 WeakPolarHBondContact O-CE 3.34Å; L669-K678 PolarHBondContact O-NZ 3.25Å; L669-L681 HydrophobicContact CD1-CB 3.92Å; L669-L681 HydrophobicContact CD2-CB 4.22Å; L669-L681 HydrophobicContact CD2-CD1 4.29Å; L669-I685 HydrophobicContact CD1-CD1 4.42Å; L669-I685 HydrophobicContact CD2-CD1 3.77Å; L669-I685 HydrophobicContact CG-CD1 4.27Å; L669-V728 HydrophobicContact CD2-CB 3.8Å; L669-V728 HydrophobicContact CD2-CG1 4.2Å; L669-V728 HydrophobicContact CD2-CG2 4.1Å
670	G	80.9	Confident	89.1	Confident	13 Å²	13	52.8 Å²	52.8	13%	0.134	27%	0.274	C	S	.	.			trans	-86.8	138.9	-176.2	0	0	0	0	0	113.5	F668 F673 V728	F668-G670 PolarHBondContact O-N 3Å; F668-G670 VanDerWaalsContact O-N 3.17Å; G670-F673 WeakPolarHBondContact O-CE2 3.5Å; G670-F673 WeakPolarHBondContact O-CZ 3.5Å; G670-V728 PolarHBondContact N-O 2.93Å
671	G	79.9	Confident	89.2	Confident	54 Å²	54	49.1 Å²	49.1	56%	0.557	26%	0.258	S	S	*	.	S	Bend	trans	77	-162.7	177.7	0	0	0	0	0	114.8	K678	G671-K678 PolarHBondContact O-NZ 2.8Å
672	N	81.9	Confident	89.1	Confident	149 Å²	149	52.6 Å²	52.6	80%	0.797	28%	0.276	S	S	*	.			trans	-97.6	149.4	175.9	-69.5	5.6	0	0	0	109.6
673	F	86.9	Confident	89.1	Confident	29 Å²	29	57.4 Å²	57.4	13%	0.127	30%	0.297	C	S	.	.			trans	-128	130.6	177.7	-59.6	-102.1	0	0	0	109.1	L669 G670 H676 K678 L681 V728 E730	L669-F673 HydrophobicContact CB-CE2 4.05Å; L669-F673 HydrophobicContact CB-CZ 4.16Å; L669-F673 HydrophobicContact CD2-CZ 4.44Å; G670-F673 WeakPolarHBondContact O-CE2 3.5Å; G670-F673 WeakPolarHBondContact O-CZ 3.5Å; F673-H676 WeakPolarHBondContact CB-O 3.44Å; F673-K678 HydrophobicContact CD2-CB 4.13Å; F673-K678 HydrophobicContact CD2-CD 4.19Å; F673-K678 HydrophobicContact CD2-CG 4.18Å; F673-K678 HydrophobicContact CE2-CD 4.35Å; F673-K678 HydrophobicContact CE2-CG 4.41Å; F673-L681 HydrophobicContact CD1-CD1 3.57Å; F673-L681 HydrophobicContact CE1-CD1 3.62Å; F673-L681 HydrophobicContact CG-CD1 4.2Å; F673-L681 HydrophobicContact CZ-CD1 4.28Å; F673-V728 HydrophobicContact CE1-CG1 4.36Å; F673-E730 WeakPolarHBondContact CA-OE1 3.3Å; F673-E730 HydrophobicContact CD1-CB 3.8Å; F673-E730 HydrophobicContact CE1-CB 4.23Å; F673-E730 HydrophobicContact CG-CB 4.42Å
674	K	82.6	Confident	89.4	Confident	167 Å²	167	56.7 Å²	56.7	73%	0.726	29%	0.293	S	S	*	.	S	Bend	trans	-109.5	-42.9	179	-61.8	178.1	178.9	178.6	0	112.1	E730	K674-E730 WeakPolarHBondContact CB-OE2 3.34Å; K674-E730 PolarHBondContact N-OE1 3.47Å; K674-E730 PolarHBondContact N-OE2 3.35Å
675	H	82.4	Confident	89.8	Confident	137 Å²	137	56.5 Å²	56.5	63%	0.634	29%	0.292	S	S	*	.	S	Bend	trans	-87.1	-38	-174.6	-63.9	-84.8	0	0	0	111.7	E730	H675-E730 IonicContact CD2-OE1 2.86Å; H675-E730 IonicContact CD2-OE2 2.58Å; H675-E730 PolarHBondContact N-OE1 2.93Å
676	H	86.9	Confident	89.9	Confident	55 Å²	55	60.7 Å²	60.7	26%	0.255	32%	0.317	S	S	.	.	S	Bend	trans	-119.5	94	177.2	-62.6	-60.6	0	0	0	110.4	F673 K678 L681 E730 S750	F673-H676 WeakPolarHBondContact CB-O 3.44Å; H676-K678 PolarHBondContact O-N 3.24Å; H676-L681 HydrophobicContact CB-CD1 4.11Å; H676-L681 HydrophobicContact CB-CD2 4.06Å; H676-L681 HydrophobicContact CB-CG 4.14Å; H676-L681 WeakPolarHBondContact O-CD1 3.29Å; H676-E730 PolarHBondContact N-OE1 3.46Å; H676-S750 PolarHBondContact CD2-OG 2.82Å
677	P	91	Very high	89.9	Confident	64 Å²	64	59.6 Å²	59.6	42%	0.416	32%	0.316	S	S	.	.			trans	-52.5	131.7	-172.5	-28.5	35	0	0	0	113.1	N679 D680 L681	P677-N679 PolarHBondContact O-N 3.03Å; P677-N679 VanDerWaalsContact O-N 3.07Å; P677-D680 HydrophobicContact CB-CB 4.46Å; P677-D680 WeakPolarHBondContact O-CA 3.36Å; P677-D680 PolarHBondContact O-N 2.82Å; P677-L681 PolarHBondContact O-N 3.19Å; P677-L681 VanDerWaalsContact O-N 3.1Å
678	K	91.1	Very high	89.9	Confident	90 Å²	90	59.6 Å²	59.6	39%	0.391	32%	0.316	S	S	.	.	H	α-helix	trans	-55.1	-33.2	-174.3	-167.4	169.6	-166.4	149.9	0	113.7	L669 G671 F673 H676 D680 L682	L669-K678 HydrophobicContact CB-CG 4.35Å; L669-K678 HydrophobicContact CD1-CG 3.86Å; L669-K678 WeakPolarHBondContact O-CE 3.34Å; L669-K678 PolarHBondContact O-NZ 3.25Å; G671-K678 PolarHBondContact O-NZ 2.8Å; F673-K678 HydrophobicContact CD2-CB 4.13Å; F673-K678 HydrophobicContact CD2-CD 4.19Å; F673-K678 HydrophobicContact CD2-CG 4.18Å; F673-K678 HydrophobicContact CE2-CD 4.35Å; F673-K678 HydrophobicContact CE2-CG 4.41Å; H676-K678 PolarHBondContact O-N 3.24Å; K678-D680 VanDerWaalsContact C-N 3.32Å; K678-L682 VanDerWaalsContact O-CB 3.3Å; K678-L682 WeakPolarHBondContact O-CB 3.47Å; K678-L682 PolarHBondContact O-N 3.4Å
679	N	92.7	Very high	89.7	Confident	117 Å²	117	59 Å²	59	63%	0.626	32%	0.322	S	S	*	.	H	α-helix	trans	-69.2	-28.6	176.3	-68.9	-14.2	0	0	0	113	P677 L682 K683	P677-N679 PolarHBondContact O-N 3.03Å; P677-N679 VanDerWaalsContact O-N 3.07Å; N679-L682 WeakPolarHBondContact O-CB 3.48Å; N679-K683 WeakPolarHBondContact O-CG 3.33Å; N679-K683 PolarHBondContact O-N 3.42Å; N679-K683 VanDerWaalsContact O-N 3.14Å
680	D	93.4	Very high	89.7	Confident	42 Å²	42	58.9 Å²	58.9	23%	0.225	32%	0.323	C	S	.	.	H	α-helix	trans	-86.6	-39.3	-178.2	-62.4	-32.9	0	0	0	110.7	L608 P677 K678 L682 K683 L684	L608-D680 HydrophobicContact CD1-CB 4.07Å; L608-D680 HydrophobicContact CD2-CB 4.02Å; L608-D680 VanDerWaalsContact CD2-OD1 3.31Å; L608-D680 WeakPolarHBondContact CD2-OD1 3.31Å; P677-D680 HydrophobicContact CB-CB 4.46Å; P677-D680 WeakPolarHBondContact O-CA 3.36Å; P677-D680 PolarHBondContact O-N 2.82Å; K678-D680 VanDerWaalsContact C-N 3.32Å; D680-L682 PolarHBondContact O-N 3.29Å; D680-K683 WeakPolarHBondContact O-CB 3.39Å; D680-K683 PolarHBondContact O-N 3.02Å; D680-K683 VanDerWaalsContact O-N 3.15Å; D680-K683 WeakPolarHBondContact OD1-CE 3.32Å; D680-K683 IonicContact OD1-NZ 3.57Å; D680-K683 PolarHBondContact OD1-NZ 3.11Å; D680-L684 WeakPolarHBondContact O-CG 3.34Å; D680-L684 PolarHBondContact O-N 3.44Å
681	L	93.4	Very high	90.2	Very high	2 Å²	2	62.2 Å²	62.2	1%	0.01	33%	0.334	C	S	.	.	H	α-helix	trans	-54.9	-41.9	164.3	-65.6	176.9	0	0	0	111.6	L669 F673 H676 P677 L684 I685 L753 I754	L669-L681 HydrophobicContact CD1-CB 3.92Å; L669-L681 HydrophobicContact CD2-CB 4.22Å; L669-L681 HydrophobicContact CD2-CD1 4.29Å; F673-L681 HydrophobicContact CD1-CD1 3.57Å; F673-L681 HydrophobicContact CE1-CD1 3.62Å; F673-L681 HydrophobicContact CG-CD1 4.2Å; F673-L681 HydrophobicContact CZ-CD1 4.28Å; H676-L681 HydrophobicContact CB-CD1 4.11Å; H676-L681 HydrophobicContact CB-CD2 4.06Å; H676-L681 HydrophobicContact CB-CG 4.14Å; H676-L681 WeakPolarHBondContact O-CD1 3.29Å; P677-L681 PolarHBondContact O-N 3.19Å; P677-L681 VanDerWaalsContact O-N 3.1Å; L681-L684 PolarHBondContact O-N 3.38Å; L681-I685 WeakPolarHBondContact O-CD1 3.48Å; L681-I685 VanDerWaalsContact O-CG1 3.31Å; L681-I685 WeakPolarHBondContact O-CG1 3.26Å; L681-I685 PolarHBondContact O-N 3.2Å; L681-L753 HydrophobicContact CD2-CD2 4.12Å; L681-I754 HydrophobicContact CD2-CD1 4.28Å
682	L	94	Very high	90.8	Very high	74 Å²	74	62.5 Å²	62.5	39%	0.387	33%	0.325	S	S	.	.	H	α-helix	trans	-61.2	-44	175.3	-175.6	73.1	0	0	0	112.4	K678 N679 D680 T686 V692	K678-L682 VanDerWaalsContact O-CB 3.3Å; K678-L682 WeakPolarHBondContact O-CB 3.47Å; K678-L682 PolarHBondContact O-N 3.4Å; N679-L682 WeakPolarHBondContact O-CB 3.48Å; D680-L682 PolarHBondContact O-N 3.29Å; L682-T686 WeakPolarHBondContact O-CB 3.34Å; L682-T686 PolarHBondContact O-N 3.19Å; L682-T686 VanDerWaalsContact O-N 3.15Å; L682-T686 PolarHBondContact O-OG1 2.89Å; L682-V692 HydrophobicContact CD1-CB 4.16Å; L682-V692 HydrophobicContact CD1-CG1 3.88Å; L682-V692 HydrophobicContact CD1-CG2 3.94Å
683	K	94.1	Very high	91.2	Very high	102 Å²	102	57.6 Å²	57.6	44%	0.443	30%	0.298	S	S	.	.	H	α-helix	trans	-61.7	-47.4	174.4	-69.8	165.2	-166.2	165.3	0	111.2	L608 L612 N679 D680 T686 A687	L608-K683 HydrophobicContact CD2-CD 4.16Å; L612-K683 HydrophobicContact CD2-CB 4.45Å; N679-K683 WeakPolarHBondContact O-CG 3.33Å; N679-K683 PolarHBondContact O-N 3.42Å; N679-K683 VanDerWaalsContact O-N 3.14Å; D680-K683 WeakPolarHBondContact O-CB 3.39Å; D680-K683 PolarHBondContact O-N 3.02Å; D680-K683 VanDerWaalsContact O-N 3.15Å; D680-K683 WeakPolarHBondContact OD1-CE 3.32Å; D680-K683 IonicContact OD1-NZ 3.57Å; D680-K683 PolarHBondContact OD1-NZ 3.11Å; K683-T686 PolarHBondContact O-N 3.39Å; K683-A687 VanDerWaalsContact O-CB 3.26Å; K683-A687 WeakPolarHBondContact O-CB 3.24Å; K683-A687 PolarHBondContact O-N 3.02Å
684	L	95.3	Very high	91.2	Very high	2 Å²	2	61.9 Å²	61.9	1%	0.01	33%	0.332	C	S	.	.	H	α-helix	trans	-60.8	-51.6	-178.8	-69.2	174.6	0	0	0	111.7	L608 M611 L612 L615 D680 L681 T686 A687 A688 I754	L608-L684 HydrophobicContact CD1-CD1 4.43Å; L608-L684 HydrophobicContact CD1-CD2 3.88Å; L608-L684 HydrophobicContact CD1-CG 3.96Å; M611-L684 HydrophobicContact CB-CD2 3.56Å; M611-L684 HydrophobicContact CE-CD1 3.93Å; M611-L684 HydrophobicContact SD-CD1 3.86Å; M611-L684 HydrophobicContact SD-CD2 4.4Å; L612-L684 HydrophobicContact CD2-CD2 4.04Å; L612-L684 HydrophobicContact CG-CD2 4.18Å; L615-L684 HydrophobicContact CD1-CB 4.24Å; L615-L684 HydrophobicContact CD1-CD2 3.82Å; L615-L684 WeakPolarHBondContact CD1-O 3.33Å; D680-L684 WeakPolarHBondContact O-CG 3.34Å; D680-L684 PolarHBondContact O-N 3.44Å; L681-L684 PolarHBondContact O-N 3.38Å; L684-T686 VanDerWaalsContact C-N 3.29Å; L684-T686 PolarHBondContact O-N 3.05Å; L684-A687 PolarHBondContact O-N 3.01Å; L684-A688 VanDerWaalsContact O-CB 3.29Å; L684-A688 WeakPolarHBondContact O-CB 3.24Å; L684-A688 PolarHBondContact O-N 3.12Å; L684-I754 HydrophobicContact CD1-CD1 3.86Å
685	I	95.3	Very high	91.5	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-57.1	-45	178.1	-67.2	159.7	0	0	0	110.8	F667 L669 L681 A688 G689 G690 V692 L753	F667-I685 HydrophobicContact CB-CD1 3.76Å; F667-I685 HydrophobicContact CB-CG1 4.41Å; F667-I685 HydrophobicContact CB-CG2 4.19Å; F667-I685 HydrophobicContact CD1-CD1 4.26Å; F667-I685 HydrophobicContact CD1-CG1 4.36Å; F667-I685 HydrophobicContact CD2-CG1 4.3Å; F667-I685 HydrophobicContact CD2-CG2 3.42Å; F667-I685 VanDerWaalsContact CD2-CG2 3.42Å; F667-I685 HydrophobicContact CE2-CG2 3.99Å; F667-I685 HydrophobicContact CG-CD1 3.94Å; F667-I685 HydrophobicContact CG-CG1 4.1Å; F667-I685 HydrophobicContact CG-CG2 3.93Å; L669-I685 HydrophobicContact CD1-CD1 4.42Å; L669-I685 HydrophobicContact CD2-CD1 3.77Å; L669-I685 HydrophobicContact CG-CD1 4.27Å; L681-I685 WeakPolarHBondContact O-CD1 3.48Å; L681-I685 VanDerWaalsContact O-CG1 3.31Å; L681-I685 WeakPolarHBondContact O-CG1 3.26Å; L681-I685 PolarHBondContact O-N 3.2Å; I685-A688 PolarHBondContact O-N 3.04Å; I685-G689 PolarHBondContact O-N 3.24Å; I685-G690 PolarHBondContact O-N 2.77Å; I685-V692 HydrophobicContact CB-CG2 4.11Å; I685-V692 HydrophobicContact CD1-CG2 4.44Å; I685-V692 HydrophobicContact CG2-CG2 3.53Å; I685-L753 HydrophobicContact CD1-CD1 3.93Å; I685-L753 HydrophobicContact CG1-CD1 3.82Å
686	T	93.1	Very high	91.8	Very high	88 Å²	88	63.4 Å²	63.4	54%	0.54	33%	0.331	S	S	.	.	H	α-helix	trans	-67.4	-41.6	-179.7	-51.2	0	0	0	0	111.8	L682 K683 L684 A688 G689	L682-T686 WeakPolarHBondContact O-CB 3.34Å; L682-T686 PolarHBondContact O-N 3.19Å; L682-T686 VanDerWaalsContact O-N 3.15Å; L682-T686 PolarHBondContact O-OG1 2.89Å; K683-T686 PolarHBondContact O-N 3.39Å; L684-T686 VanDerWaalsContact C-N 3.29Å; L684-T686 PolarHBondContact O-N 3.05Å; T686-A688 VanDerWaalsContact C-N 3.32Å; T686-A688 PolarHBondContact O-N 3.35Å; T686-G689 PolarHBondContact O-N 3.1Å; T686-G689 VanDerWaalsContact O-N 3.17Å
687	A	93.1	Very high	91.7	Very high	16 Å²	16	61 Å²	61	13%	0.132	32%	0.32	C	S	.	.	H	α-helix	trans	-63.5	-38.2	176.5	0	0	0	0	0	111.8	L612 L615 K660 K683 L684 G689	L612-A687 HydrophobicContact CD2-CB 3.65Å; L615-A687 HydrophobicContact CB-CB 4.25Å; L615-A687 HydrophobicContact CD1-CB 4.19Å; K660-A687 WeakPolarHBondContact CD-O 3.42Å; K660-A687 PolarHBondContact NZ-O 3.17Å; K683-A687 VanDerWaalsContact O-CB 3.26Å; K683-A687 WeakPolarHBondContact O-CB 3.24Å; K683-A687 PolarHBondContact O-N 3.02Å; L684-A687 PolarHBondContact O-N 3.01Å; A687-G689 PolarHBondContact O-N 3.03Å
688	A	93.6	Very high	91.4	Very high	0 Å²	0	64.2 Å²	64.2	0%	0	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-2.5	175.2	0	0	0	0	0	114.8	L615 K660 L661 F662 L684 I685 T686	L615-A688 HydrophobicContact CD1-CB 3.97Å; L615-A688 HydrophobicContact CD2-CB 3.65Å; L615-A688 HydrophobicContact CG-CB 4.35Å; K660-A688 WeakPolarHBondContact CB-O 3.38Å; L661-A688 HydrophobicContact CB-CB 4.44Å; F662-A688 WeakPolarHBondContact CA-O 3.33Å; F662-A688 HydrophobicContact CB-CB 3.96Å; F662-A688 HydrophobicContact CD2-CB 3.35Å; F662-A688 HydrophobicContact CE2-CB 4.01Å; F662-A688 HydrophobicContact CG-CB 3.82Å; F662-A688 PolarHBondContact N-O 3.5Å; L684-A688 VanDerWaalsContact O-CB 3.29Å; L684-A688 WeakPolarHBondContact O-CB 3.24Å; L684-A688 PolarHBondContact O-N 3.12Å; I685-A688 PolarHBondContact O-N 3.04Å; T686-A688 VanDerWaalsContact C-N 3.32Å; T686-A688 PolarHBondContact O-N 3.35Å
689	G	89.8	Confident	90.5	Very high	28 Å²	28	61.1 Å²	61.1	29%	0.289	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.3	0.4	-179.7	0	0	0	0	0	115.7	I685 T686 A687	I685-G689 PolarHBondContact O-N 3.24Å; T686-G689 PolarHBondContact O-N 3.1Å; T686-G689 VanDerWaalsContact O-N 3.17Å; A687-G689 PolarHBondContact O-N 3.03Å
690	G	92.2	Very high	89.5	Confident	8 Å²	8	61.1 Å²	61.1	8%	0.082	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-72.9	148.6	178.7	0	0	0	0	0	113.3	F662 I685	F662-G690 WeakPolarHBondContact O-CA 3.45Å; I685-G690 PolarHBondContact O-N 2.77Å
691	K	90.9	Very high	88.7	Confident	83 Å²	83	60.9 Å²	60.9	36%	0.361	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	128.2	-177.8	-67.7	168.4	-174.7	168.2	0	111	C665 Y666 F667	C665-K691 PolarHBondContact O-N 3.3Å; Y666-K691 CarbonylContact C-O 3.55Å; Y666-K691 VanDerWaalsContact CA-O 3.28Å; Y666-K691 WeakPolarHBondContact CA-O 3.37Å; Y666-K691 HydrophobicContact CD1-CB 3.79Å; Y666-K691 HydrophobicContact CD1-CD 4.27Å; Y666-K691 HydrophobicContact CE1-CB 3.92Å; Y666-K691 HydrophobicContact CE1-CD 3.58Å; Y666-K691 HydrophobicContact CE1-CG 4.41Å; Y666-K691 HydrophobicContact CE2-CD 4.08Å; Y666-K691 HydrophobicContact CG-CB 4.31Å; Y666-K691 VanDerWaalsContact CZ-CD 3.46Å; Y666-K691 WeakPolarHBondContact OH-CD 3.5Å; Y666-K691 PolarHBondContact OH-NZ 3.4Å; F667-K691 PolarHBondContact N-O 3.02Å
692	V	92.6	Very high	87.1	Confident	60 Å²	60	66.4 Å²	66.4	36%	0.364	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.8	-177.7	-178.1	0	0	0	0	111.8	F667 L682 I685	F667-V692 WeakPolarHBondContact O-CA 3.36Å; L682-V692 HydrophobicContact CD1-CB 4.16Å; L682-V692 HydrophobicContact CD1-CG1 3.88Å; L682-V692 HydrophobicContact CD1-CG2 3.94Å; I685-V692 HydrophobicContact CB-CG2 4.11Å; I685-V692 HydrophobicContact CD1-CG2 4.44Å; I685-V692 HydrophobicContact CG2-CG2 3.53Å
693	L	90.6	Very high	85.9	Confident	45 Å²	45	67.9 Å²	67.9	24%	0.236	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-84.3	131.4	178.8	-64.5	176.8	0	0	0	110.9	Y666 F667 F668 R695 P697	Y666-L693 HydrophobicContact CD1-CD2 3.88Å; Y666-L693 HydrophobicContact CD1-CG 4.41Å; F667-L693 PolarHBondContact O-N 2.94Å; F668-L693 HydrophobicContact CB-CB 4.24Å; F668-L693 HydrophobicContact CD2-CB 4.49Å; F668-L693 WeakPolarHBondContact CD2-O 3.4Å; L693-R695 VanDerWaalsContact C-N 3.32Å; L693-P697 HydrophobicContact CD1-CB 4.21Å; L693-P697 HydrophobicContact CD1-CG 4.11Å
694	S	88.2	Confident	84.6	Confident	120 Å²	120	63.7 Å²	63.7	84%	0.839	34%	0.343	S	S	*	.	S	Bend	trans	-83.2	-5.2	176.5	59.1	0	0	0	0	114.3
695	R	87.4	Confident	83.4	Confident	209 Å²	209	68.4 Å²	68.4	79%	0.789	37%	0.365	S	S	*	.	S	Bend	trans	-139.1	146.7	-179.7	-63.6	-178.1	178.2	-176.8	-1.6	109.2	F668 L693	F668-R695 WeakPolarHBondContact CD2-O 3.42Å; F668-R695 VanDerWaalsContact CE2-C 3.4Å; L693-R695 VanDerWaalsContact C-N 3.32Å
696	K	88.3	Confident	81.9	Confident	126 Å²	126	73.5 Å²	73.5	55%	0.548	40%	0.396	S	S	.	.			trans	-60	125.7	176.6	-168.7	-175.9	178.7	-177.2	0	109	F668 I727	F668-K696 HydrophobicContact CD1-CB 3.98Å; F668-K696 HydrophobicContact CD1-CG 3.89Å; F668-K696 HydrophobicContact CE1-CB 3.62Å; F668-K696 HydrophobicContact CE1-CD 4.5Å; F668-K696 HydrophobicContact CE1-CG 3.78Å; F668-K696 HydrophobicContact CE2-CB 4.26Å; F668-K696 VanDerWaalsContact CE2-N 3.26Å; F668-K696 HydrophobicContact CG-CB 4.43Å; F668-K696 HydrophobicContact CZ-CB 3.78Å; F668-K696 HydrophobicContact CZ-CG 4.45Å; K696-I727 HydrophobicContact CG-CD1 4.2Å; K696-I727 HydrophobicContact CG-CG1 4.48Å
697	P	86.8	Confident	80.8	Confident	6 Å²	6	70.9 Å²	70.9	4%	0.039	38%	0.378	C	S	.	.			trans	-61.5	139.9	170.6	26	-33	0	0	0	109.5	F668 L693 T704 I727 V745	F668-P697 HydrophobicContact CB-CG 4.43Å; L693-P697 HydrophobicContact CD1-CB 4.21Å; L693-P697 HydrophobicContact CD1-CG 4.11Å; P697-T704 HydrophobicContact CB-CG2 3.71Å; P697-I727 HydrophobicContact CG-CD1 4.11Å; P697-I727 HydrophobicContact CG-CG1 3.74Å; P697-V745 HydrophobicContact CB-CG1 4.3Å; P697-V745 HydrophobicContact CB-CG2 4.11Å; P697-V745 HydrophobicContact CG-CG1 3.81Å; P697-V745 HydrophobicContact CG-CG2 4.5Å
698	K	83.1	Confident	79.8	Confident	130 Å²	130	73.5 Å²	73.5	57%	0.565	39%	0.39	S	S	*	.			trans	-111.7	102.9	-176.5	-88.7	-164.8	168.4	-151.7	0	107.9	D700 S701 T704	K698-D700 WeakPolarHBondContact CB-OD1 3.43Å; K698-D700 PolarHBondContact O-N 3.44Å; K698-S701 VanDerWaalsContact O-CB 3.24Å; K698-S701 WeakPolarHBondContact O-CB 3.48Å; K698-S701 PolarHBondContact O-N 3.11Å; K698-T704 PolarHBondContact O-OG1 3.27Å
699	P	72.8	Confident	79.1	Confident	26 Å²	26	74.7 Å²	74.7	17%	0.169	40%	0.397	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-19.3	-169.2	24.6	-33.1	0	0	0	113.9	S701 Q705 Q742 V745	P699-S701 VanDerWaalsContact C-N 3.33Å; P699-Q705 PolarHBondContact O-NE2 3.38Å; P699-Q742 HydrophobicContact CB-CB 4.12Å; P699-Q742 HydrophobicContact CB-CG 3.97Å; P699-Q742 VanDerWaalsContact CB-O 3.29Å; P699-Q742 WeakPolarHBondContact CB-O 3.36Å; P699-Q742 HydrophobicContact CG-CB 4.09Å; P699-Q742 HydrophobicContact CG-CG 3.86Å; P699-Q742 VanDerWaalsContact CG-OE1 3.23Å; P699-V745 HydrophobicContact CB-CB 4.48Å; P699-V745 HydrophobicContact CB-CG2 4.22Å
700	D	71.3	Confident	78.8	Confident	116 Å²	116	73.4 Å²	73.4	62%	0.62	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-4.8	171	60.7	-53.9	0	0	0	115.1	K698	K698-D700 WeakPolarHBondContact CB-OD1 3.43Å; K698-D700 PolarHBondContact O-N 3.44Å
701	S	76.1	Confident	78.6	Confident	37 Å²	37	73 Å²	73	26%	0.259	38%	0.38	S	S	.	.			trans	-99.1	131.2	-173.5	-170.2	0	0	0	0	113.4	K698 P699 V703 T704 Q705	K698-S701 VanDerWaalsContact O-CB 3.24Å; K698-S701 WeakPolarHBondContact O-CB 3.48Å; K698-S701 PolarHBondContact O-N 3.11Å; P699-S701 VanDerWaalsContact C-N 3.33Å; S701-V703 PolarHBondContact O-N 3.32Å; S701-V703 VanDerWaalsContact O-N 3.09Å; S701-T704 PolarHBondContact O-N 3.09Å; S701-T704 PolarHBondContact O-OG1 3.47Å; S701-Q705 PolarHBondContact O-N 3.18Å; S701-Q705 VanDerWaalsContact O-N 3.12Å
702	D	60.7	Low	78.4	Confident	118 Å²	118	71.6 Å²	71.6	63%	0.631	37%	0.373	S	S	*	.	H	α-helix	trans	-46.8	-40.8	173	-48	-40.2	0	0	0	112.4	T704 Q705 T706	D702-T704 VanDerWaalsContact C-N 3.31Å; D702-T704 PolarHBondContact O-N 2.62Å; D702-Q705 PolarHBondContact O-N 2.95Å; D702-T706 WeakPolarHBondContact O-CB 3.37Å; D702-T706 WeakPolarHBondContact O-CG2 3.49Å; D702-T706 PolarHBondContact O-N 3.26Å; D702-T706 PolarHBondContact O-OG1 3.46Å
703	V	67.8	Low	78.3	Confident	106 Å²	106	70.4 Å²	70.4	64%	0.642	36%	0.363	S	S	*	.	H	α-helix	trans	-63.1	-34.7	-177	-178.1	0	0	0	0	112.4	S701 T706 I707	S701-V703 PolarHBondContact O-N 3.32Å; S701-V703 VanDerWaalsContact O-N 3.09Å; V703-T706 PolarHBondContact O-OG1 3.1Å; V703-I707 WeakPolarHBondContact O-CG1 3.2Å
704	T	68.3	Low	78.3	Confident	14 Å²	14	68.5 Å²	68.5	9%	0.086	35%	0.354	C	S	.	.	H	α-helix	trans	-89	-22.9	177.8	42.7	0	0	0	0	113	P697 K698 S701 D702 Q725	P697-T704 HydrophobicContact CB-CG2 3.71Å; K698-T704 PolarHBondContact O-OG1 3.27Å; S701-T704 PolarHBondContact O-N 3.09Å; S701-T704 PolarHBondContact O-OG1 3.47Å; D702-T704 VanDerWaalsContact C-N 3.31Å; D702-T704 PolarHBondContact O-N 2.62Å; T704-Q725 VanDerWaalsContact CB-OE1 3.28Å; T704-Q725 VanDerWaalsContact CG2-OE1 3.23Å; T704-Q725 PolarHBondContact O-NE2 3.42Å
705	Q	68.8	Low	78.2	Confident	101 Å²	101	67 Å²	67	47%	0.472	34%	0.336	S	S	.	.	H	α-helix	trans	-78.3	-33.4	173.6	-64.9	-175.9	11.4	0	0	111.9	P699 S701 D702 K744	P699-Q705 PolarHBondContact O-NE2 3.38Å; S701-Q705 PolarHBondContact O-N 3.18Å; S701-Q705 VanDerWaalsContact O-N 3.12Å; D702-Q705 PolarHBondContact O-N 2.95Å; Q705-K744 PolarHBondContact O-NZ 3.4Å
706	T	65.3	Low	77.8	Confident	107 Å²	107	61.7 Å²	61.7	66%	0.656	33%	0.329	S	S	*	.	S	Bend	trans	-78	-9.8	175.5	51.6	0	0	0	0	114.5	D702 V703 N708	D702-T706 WeakPolarHBondContact O-CB 3.37Å; D702-T706 WeakPolarHBondContact O-CG2 3.49Å; D702-T706 PolarHBondContact O-N 3.26Å; D702-T706 PolarHBondContact O-OG1 3.46Å; V703-T706 PolarHBondContact O-OG1 3.1Å; T706-N708 PolarHBondContact O-N 2.86Å; T706-N708 VanDerWaalsContact O-N 3.13Å
707	I	70.1	Confident	77.6	Confident	32 Å²	32	63.4 Å²	63.4	16%	0.164	34%	0.344	C	S	.	.			trans	-61.6	116.4	164.1	-72.1	169.1	0	0	0	107.9	Y666 V703 T709 Q725 K744	Y666-I707 HydrophobicContact CD2-CG2 4.36Å; Y666-I707 HydrophobicContact CE2-CG2 4.16Å; V703-I707 WeakPolarHBondContact O-CG1 3.2Å; I707-T709 WeakPolarHBondContact CG2-OG1 3.41Å; I707-Q725 HydrophobicContact CD1-CG 4.42Å; I707-K744 PolarHBondContact O-NZ 3.35Å
708	N	71.1	Confident	77.7	Confident	72 Å²	72	64.2 Å²	64.2	39%	0.385	35%	0.35	S	S	.	.			trans	-127.8	62.1	-175.1	-139.4	23.8	0	0	0	110.4	N484 I515 T706 K744	N484-N708 PolarHBondContact ND2-O 2.98Å; I515-N708 WeakPolarHBondContact CB-ND2 3.43Å; I515-N708 VanDerWaalsContact CD1-ND2 3.33Å; I515-N708 WeakPolarHBondContact CD1-ND2 3.25Å; I515-N708 HydrophobicContact CG2-CB 4.16Å; I515-N708 WeakPolarHBondContact CG2-ND2 3.47Å; I515-N708 WeakPolarHBondContact CG2-O 3.14Å; T706-N708 PolarHBondContact O-N 2.86Å; T706-N708 VanDerWaalsContact O-N 3.13Å; N708-K744 PolarHBondContact OD1-NZ 2.83Å; N708-K744 VanDerWaalsContact OD1-NZ 3.13Å
709	T	78.8	Confident	78	Confident	24 Å²	24	61.4 Å²	61.4	15%	0.147	34%	0.341	C	S	.	.			trans	-112.7	135.7	178.3	42.8	0	0	0	0	109.6	N484 G664 Y666 I707 T724	N484-T709 WeakPolarHBondContact ND2-CA 3.23Å; G664-T709 PolarHBondContact O-OG1 3.13Å; Y666-T709 HydrophobicContact CE2-CG2 4.01Å; Y666-T709 WeakPolarHBondContact CE2-OG1 3.37Å; I707-T709 WeakPolarHBondContact CG2-OG1 3.41Å; T709-T724 WeakPolarHBondContact O-CG2 3.48Å; T709-T724 PolarHBondContact O-OG1 2.8Å; T709-T724 PolarHBondContact OG1-OG1 3.36Å; T709-T724 VanDerWaalsContact OG1-OG1 3.1Å
710	V	83.9	Confident	78.8	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.006	33%	0.333	C	S	.	.			trans	-98	144.4	174.1	-57.3	0	0	0	0	111.9	T480 N484 R721 F722	T480-V710 HydrophobicContact CG2-CG2 3.94Å; N484-V710 HydrophobicContact CB-CG1 4.47Å; N484-V710 HydrophobicContact CB-CG2 3.77Å; N484-V710 PolarHBondContact ND2-N 3.09Å; N484-V710 PolarHBondContact OD1-N 2.94Å; V710-R721 WeakPolarHBondContact CA-O 3.49Å; V710-R721 VanDerWaalsContact CB-O 3.29Å; V710-R721 WeakPolarHBondContact CB-O 3.32Å; V710-F722 HydrophobicContact CG1-CD1 3.67Å; V710-F722 HydrophobicContact CG1-CE1 3.7Å
711	A	88.6	Confident	79.5	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.308	C	S	.	.			trans	-85.6	118.1	174.4	0	0	0	0	0	109.6	C665 H713 A714 R721 T724 L762	C665-A711 VanDerWaalsContact SG-CB 3.53Å; A711-H713 VanDerWaalsContact C-N 3.27Å; A711-H713 PolarHBondContact O-N 2.98Å; A711-A714 HydrophobicContact CB-CB 3.92Å; A711-A714 PolarHBondContact O-N 3.46Å; A711-R721 PolarHBondContact N-O 3.37Å; A711-R721 WeakPolarHBondContact O-CD 3.28Å; A711-R721 PolarHBondContact O-NH1 3.44Å; A711-T724 HydrophobicContact CB-CG2 3.79Å; A711-L762 HydrophobicContact CB-CD2 3.78Å
712	Y	86.6	Confident	79.9	Confident	54 Å²	54	57.8 Å²	57.8	21%	0.212	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-38.7	-175.9	-178.9	-91.6	0	0	0	112.6	N478 P659 R721	N478-Y712 HydrophobicContact CB-CE2 3.8Å; P659-Y712 HydrophobicContact CB-CD1 4.2Å; P659-Y712 HydrophobicContact CB-CD2 4.4Å; P659-Y712 HydrophobicContact CB-CG 3.9Å; P659-Y712 HydrophobicContact CG-CD1 4.19Å; P659-Y712 HydrophobicContact CG-CD2 3.75Å; P659-Y712 HydrophobicContact CG-CE2 4.21Å; P659-Y712 HydrophobicContact CG-CG 3.74Å; Y712-R721 PolarHBondContact O-NH1 2.94Å
713	H	90.8	Very high	81.3	Confident	35 Å²	35	52.6 Å²	52.6	16%	0.162	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.3	0.3	-177.1	-69.6	-91.3	0	0	0	114.8	N653 P659 K660 L661 A711 F760 L762	N653-H713 PolarHBondContact ND2-CE1 2.78Å; N653-H713 VanDerWaalsContact ND2-CE1 3.34Å; P659-H713 PolarHBondContact O-NE2 2.9Å; K660-H713 PolarHBondContact O-CD2 3.07Å; L661-H713 WeakPolarHBondContact CA-CD2 3.37Å; L661-H713 HydrophobicContact CD1-CB 4.27Å; L661-H713 PolarHBondContact O-CD2 3.28Å; A711-H713 VanDerWaalsContact C-N 3.27Å; A711-H713 PolarHBondContact O-N 2.98Å; H713-F760 AromaticContact CE1-CE1 3.72Å; H713-L762 HydrophobicContact CB-CB 4.12Å
714	A	90.2	Very high	82.4	Confident	4 Å²	4	47.6 Å²	47.6	3%	0.033	25%	0.254	C	S	.	.	S	Bend	trans	-73.2	136.6	169	0	0	0	0	0	109.9	A711 Q720 R721 L762	A711-A714 HydrophobicContact CB-CB 3.92Å; A711-A714 PolarHBondContact O-N 3.46Å; A714-Q720 HydrophobicContact CB-CB 4.1Å; A714-R721 HydrophobicContact CB-CB 4.08Å; A714-R721 PolarHBondContact O-NH1 3.37Å; A714-L762 HydrophobicContact CB-CD2 3.94Å
715	N	85.3	Confident	83.5	Confident	89 Å²	89	46.9 Å²	46.9	48%	0.476	25%	0.25	S	S	.	.			trans	-51.4	140.9	170.5	-70.6	-26.2	0	0	0	110.5	D717 S718	N715-D717 PolarHBondContact O-N 2.88Å; N715-D717 VanDerWaalsContact O-N 3.16Å; N715-S718 PolarHBondContact O-N 3.38Å; N715-S718 VanDerWaalsContact O-N 3.11Å
716	P	80.3	Confident	84.7	Confident	98 Å²	98	42.1 Å²	42.1	64%	0.636	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-39	-173.8	-27.7	35.8	0	0	0	113.8
717	D	83.9	Confident	86	Confident	161 Å²	161	37.6 Å²	37.6	86%	0.861	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	0.5	-174	-42.7	-73.9	0	0	0	113.8	N715	N715-D717 PolarHBondContact O-N 2.88Å; N715-D717 VanDerWaalsContact O-N 3.16Å
718	S	88.6	Confident	87	Confident	23 Å²	23	36.1 Å²	36.1	16%	0.161	19%	0.192	C	C	.	.	S	Bend	trans	-89	140	-177.8	178.1	0	0	0	0	112.7	N715 Q720 R721	N715-S718 PolarHBondContact O-N 3.38Å; N715-S718 VanDerWaalsContact O-N 3.11Å; S718-Q720 PolarHBondContact O-N 3.17Å; S718-Q720 WeakPolarHBondContact OG-CB 3.5Å; S718-Q720 PolarHBondContact OG-N 3.34Å; S718-Q720 VanDerWaalsContact OG-N 3.15Å; S718-R721 WeakPolarHBondContact O-CB 3.41Å; S718-R721 PolarHBondContact O-N 3.09Å
719	D	88.3	Confident	87.9	Confident	71 Å²	71	34.3 Å²	34.3	38%	0.38	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-48.6	-33.4	167.1	-96.2	-32.1	0	0	0	112.6	R721 F722 C723 R741 W746	D719-R721 PolarHBondContact O-N 3Å; D719-R721 VanDerWaalsContact O-N 3.11Å; D719-F722 PolarHBondContact O-N 3.27Å; D719-F722 VanDerWaalsContact O-N 3.11Å; D719-C723 VanDerWaalsContact O-CB 3.23Å; D719-C723 WeakPolarHBondContact O-CB 3.38Å; D719-C723 PolarHBondContact O-N 2.67Å; D719-C723 PolarHBondContact O-SG 2.95Å; D719-R741 VanDerWaalsContact CG-NH2 3.33Å; D719-R741 IonicContact OD1-CZ 2.67Å; D719-R741 IonicContact OD1-NH2 3.34Å; D719-R741 PolarHBondContact OD1-NH2 3.17Å; D719-R741 IonicContact OD2-CZ 2.61Å; D719-R741 IonicContact OD2-NE 3.43Å; D719-R741 PolarHBondContact OD2-NE 3.29Å; D719-R741 IonicContact OD2-NH2 3.96Å; D719-R741 PolarHBondContact OD2-NH2 3.45Å; D719-W746 HydrophobicContact CB-CH2 3.97Å; D719-W746 HydrophobicContact CB-CZ2 3.71Å
720	Q	90.5	Very high	88.3	Confident	2 Å²	2	33.7 Å²	33.7	1%	0.009	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-59.4	-21.4	178.9	-65	-172	-13.2	0	0	113.1	A714 S718 F722 W746 L763	A714-Q720 HydrophobicContact CB-CB 4.1Å; S718-Q720 PolarHBondContact O-N 3.17Å; S718-Q720 WeakPolarHBondContact OG-CB 3.5Å; S718-Q720 PolarHBondContact OG-N 3.34Å; S718-Q720 VanDerWaalsContact OG-N 3.15Å; Q720-F722 VanDerWaalsContact C-N 3.26Å; Q720-F722 PolarHBondContact O-N 3.19Å; Q720-W746 HydrophobicContact CB-CZ2 4.36Å; Q720-W746 HydrophobicContact CG-CH2 4.21Å; Q720-W746 HydrophobicContact CG-CZ2 3.48Å; Q720-W746 VanDerWaalsContact CG-CZ2 3.48Å; Q720-L763 PolarHBondContact NE2-O 3.47Å; Q720-L763 PolarHBondContact OE1-O 2.79Å
721	R	86.4	Confident	87.7	Confident	25 Å²	25	37.3 Å²	37.3	9%	0.094	20%	0.195	C	C	.	.	G	3₁₀ helix	trans	-59.9	-36.4	175.6	-170.6	66.9	-177.5	-168.5	8.4	112.2	V710 A711 Y712 A714 S718 D719	V710-R721 WeakPolarHBondContact CA-O 3.49Å; V710-R721 VanDerWaalsContact CB-O 3.29Å; V710-R721 WeakPolarHBondContact CB-O 3.32Å; A711-R721 PolarHBondContact N-O 3.37Å; A711-R721 WeakPolarHBondContact O-CD 3.28Å; A711-R721 PolarHBondContact O-NH1 3.44Å; Y712-R721 PolarHBondContact O-NH1 2.94Å; A714-R721 HydrophobicContact CB-CB 4.08Å; A714-R721 PolarHBondContact O-NH1 3.37Å; S718-R721 WeakPolarHBondContact O-CB 3.41Å; S718-R721 PolarHBondContact O-N 3.09Å; D719-R721 PolarHBondContact O-N 3Å; D719-R721 VanDerWaalsContact O-N 3.11Å
722	F	84.8	Confident	86.6	Confident	76 Å²	76	41 Å²	41	33%	0.333	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.3	-22.9	-176.6	-55.1	-81.3	0	0	0	113.4	V710 D719 Q720 T724	V710-F722 HydrophobicContact CG1-CD1 3.67Å; V710-F722 HydrophobicContact CG1-CE1 3.7Å; D719-F722 PolarHBondContact O-N 3.27Å; D719-F722 VanDerWaalsContact O-N 3.11Å; Q720-F722 VanDerWaalsContact C-N 3.26Å; Q720-F722 PolarHBondContact O-N 3.19Å; F722-T724 PolarHBondContact O-N 3.39Å
723	C	88.5	Confident	85	Confident	10 Å²	10	48.2 Å²	48.2	7%	0.068	25%	0.247	C	C	.	.			trans	-88.7	76.1	172	-60.3	0	0	0	0	109.3	D719 K744 W746	D719-C723 VanDerWaalsContact O-CB 3.23Å; D719-C723 WeakPolarHBondContact O-CB 3.38Å; D719-C723 PolarHBondContact O-N 2.67Å; D719-C723 PolarHBondContact O-SG 2.95Å; C723-K744 CarbonylContact C-O 3.45Å; C723-W746 HydrophobicContact CB-CZ2 4.25Å; C723-W746 PolarHBondContact O-NE1 3.34Å
724	T	91.1	Very high	83.4	Confident	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.28	C	S	.	.			trans	-96.1	17.2	-168	50	0	0	0	0	115.2	C665 Y666 T709 A711 F722	C665-T724 WeakPolarHBondContact CA-O 3.42Å; Y666-T724 PolarHBondContact N-O 3.32Å; T709-T724 WeakPolarHBondContact O-CG2 3.48Å; T709-T724 PolarHBondContact O-OG1 2.8Å; T709-T724 PolarHBondContact OG1-OG1 3.36Å; T709-T724 VanDerWaalsContact OG1-OG1 3.1Å; A711-T724 HydrophobicContact CB-CG2 3.79Å; F722-T724 PolarHBondContact O-N 3.39Å
725	Q	92.2	Very high	81.8	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	130.7	-179.9	-70.2	161.4	76.8	0	0	111.7	Y666 T704 I707 K744 V745 W746	Y666-Q725 CarbonylContact O-C 3.57Å; Y666-Q725 WeakPolarHBondContact O-CA 3.41Å; T704-Q725 VanDerWaalsContact CB-OE1 3.28Å; T704-Q725 VanDerWaalsContact CG2-OE1 3.23Å; T704-Q725 PolarHBondContact O-NE2 3.42Å; I707-Q725 HydrophobicContact CD1-CG 4.42Å; Q725-K744 PolarHBondContact N-O 3.13Å; Q725-V745 HydrophobicContact CB-CG1 4.47Å; Q725-V745 HydrophobicContact CB-CG2 4.16Å; Q725-V745 CarbonylContact O-C 3.58Å; Q725-V745 WeakPolarHBondContact O-CA 3.36Å; Q725-W746 PolarHBondContact O-N 3.24Å
726	Y	93.3	Very high	80.9	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	120.7	-174.1	-58.2	-91.6	0	0	0	111.1	C665 Y666 F667 F668 W746 W752 L765	C665-Y726 HydrophobicContact CB-CD2 4.45Å; C665-Y726 HydrophobicContact CB-CE2 4.09Å; Y666-Y726 PolarHBondContact O-N 3.04Å; F667-Y726 CarbonylContact C-O 3.54Å; F667-Y726 WeakPolarHBondContact CA-O 3.19Å; F667-Y726 HydrophobicContact CD1-CD2 4.32Å; F667-Y726 HydrophobicContact CD1-CG 4.31Å; F667-Y726 AromaticContact CE1-CD2 3.92Å; F667-Y726 HydrophobicContact CE1-CD2 3.92Å; F667-Y726 HydrophobicContact CE1-CG 4.07Å; F667-Y726 HydrophobicContact CZ-CD2 4.14Å; F668-Y726 PolarHBondContact N-O 3.18Å; Y726-W746 HydrophobicContact CD1-CB 3.73Å; Y726-W746 AromaticContact CD1-CD1 3.72Å; Y726-W746 AromaticContact CD1-CG 3.93Å; Y726-W746 HydrophobicContact CD1-CG 3.93Å; Y726-W746 HydrophobicContact CE1-CB 4.15Å; Y726-W746 AromaticContact CE1-CD1 3.37Å; Y726-W746 AromaticContact CE1-CG 3.83Å; Y726-W746 HydrophobicContact CE1-CG 3.83Å; Y726-W746 AromaticContact CE1-NE1 3.98Å; Y726-W746 HydrophobicContact CG-CB 4.5Å; Y726-W746 AromaticContact CZ-CD1 3.82Å; Y726-W752 AromaticContact CD1-CH2 3.43Å; Y726-W752 HydrophobicContact CD1-CH2 3.43Å; Y726-W752 VanDerWaalsContact CD1-CH2 3.43Å; Y726-W752 HydrophobicContact CD1-CZ2 4.13Å; Y726-W752 AromaticContact CD1-CZ3 3.93Å; Y726-W752 HydrophobicContact CD1-CZ3 3.93Å; Y726-W752 AromaticContact CE1-CH2 3.44Å; Y726-W752 HydrophobicContact CE1-CH2 3.44Å; Y726-W752 VanDerWaalsContact CE1-CH2 3.44Å; Y726-W752 AromaticContact CE1-CZ2 3.77Å; Y726-W752 HydrophobicContact CE1-CZ2 3.77Å; Y726-W752 HydrophobicContact CE1-CZ3 4.38Å; Y726-W752 HydrophobicContact CG-CH2 4.07Å; Y726-W752 HydrophobicContact CG-CZ3 4.38Å; Y726-L765 HydrophobicContact CD1-CD1 3.91Å; Y726-L765 HydrophobicContact CE1-CD1 3.79Å
727	I	92.5	Very high	80.6	Confident	13 Å²	13	61.1 Å²	61.1	7%	0.067	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	106.2	164.5	-66.4	162.2	0	0	0	106.9	F668 K696 P697 V745 W746 M747 A748	F668-I727 HydrophobicContact CD1-CG1 4.49Å; F668-I727 HydrophobicContact CD1-CG2 4.35Å; K696-I727 HydrophobicContact CG-CD1 4.2Å; K696-I727 HydrophobicContact CG-CG1 4.48Å; P697-I727 HydrophobicContact CG-CD1 4.11Å; P697-I727 HydrophobicContact CG-CG1 3.74Å; I727-V745 HydrophobicContact CD1-CG1 3.56Å; I727-V745 HydrophobicContact CG1-CG1 3.85Å; I727-W746 WeakPolarHBondContact CB-O 3.47Å; I727-W746 PolarHBondContact N-O 3.35Å; I727-M747 HydrophobicContact CB-CG 4.26Å; I727-M747 HydrophobicContact CD1-CG 4.38Å; I727-M747 WeakPolarHBondContact O-CA 3.33Å; I727-A748 PolarHBondContact O-N 3.05Å
728	V	92.4	Very high	80.1	Confident	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	128.1	176.4	-171.3	0	0	0	0	109	F667 F668 L669 G670 F673 A748 L753	F667-V728 HydrophobicContact CD1-CG2 3.94Å; F668-V728 PolarHBondContact O-N 3.45Å; L669-V728 HydrophobicContact CD2-CB 3.8Å; L669-V728 HydrophobicContact CD2-CG1 4.2Å; L669-V728 HydrophobicContact CD2-CG2 4.1Å; G670-V728 PolarHBondContact N-O 2.93Å; F673-V728 HydrophobicContact CE1-CG1 4.36Å; V728-A748 VanDerWaalsContact CA-O 3.28Å; V728-A748 WeakPolarHBondContact CA-O 3.44Å; V728-L753 HydrophobicContact CG2-CD1 4.02Å
729	Y	89.3	Confident	79.8	Confident	35 Å²	35	69.8 Å²	69.8	14%	0.137	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	160	174.2	62.4	-91.2	0	0	0	110.5	C735 P737 M747 A748 P749 S750	Y729-C735 WeakPolarHBondContact CE2-O 3.48Å; Y729-P737 HydrophobicContact CE1-CG 4.44Å; Y729-P737 WeakPolarHBondContact OH-CD 3.48Å; Y729-M747 HydrophobicContact CD1-CB 4.48Å; Y729-M747 HydrophobicContact CD1-CE 4.37Å; Y729-M747 HydrophobicContact CE1-CB 4.14Å; Y729-A748 WeakPolarHBondContact CD1-O 3.49Å; Y729-A748 WeakPolarHBondContact CE1-O 3.3Å; Y729-A748 PolarHBondContact N-O 3.05Å; Y729-P749 HydrophobicContact CE2-CB 3.9Å; Y729-P749 CarbonylContact O-C 3.48Å; Y729-P749 WeakPolarHBondContact O-CA 3.43Å; Y729-S750 PolarHBondContact O-N 2.86Å
730	E	86.4	Confident	79.7	Confident	11 Å²	11	69.2 Å²	69.2	5%	0.051	33%	0.325	C	S	.	.			trans	-80.8	136.8	172.6	-174.5	160.6	-101.2	0	0	111	F673 K674 H675 H676 L732	F673-E730 WeakPolarHBondContact CA-OE1 3.3Å; F673-E730 HydrophobicContact CD1-CB 3.8Å; F673-E730 HydrophobicContact CE1-CB 4.23Å; F673-E730 HydrophobicContact CG-CB 4.42Å; K674-E730 WeakPolarHBondContact CB-OE2 3.34Å; K674-E730 PolarHBondContact N-OE1 3.47Å; K674-E730 PolarHBondContact N-OE2 3.35Å; H675-E730 IonicContact CD2-OE1 2.86Å; H675-E730 IonicContact CD2-OE2 2.58Å; H675-E730 PolarHBondContact N-OE1 2.93Å; H676-E730 PolarHBondContact N-OE1 3.46Å; E730-L732 HydrophobicContact CG-CG 4.41Å; E730-L732 PolarHBondContact O-N 3.24Å
731	D	71.4	Confident	79.6	Confident	77 Å²	77	73.2 Å²	73.2	41%	0.412	34%	0.34	S	S	.	.			trans	-75	68.9	-172.6	-147.3	-4.3	0	0	0	112.1	P749 T751	D731-P749 HydrophobicContact CB-CB 3.97Å; D731-T751 HydrophobicContact CB-CG2 3.96Å; D731-T751 WeakPolarHBondContact OD2-CG2 3.34Å; D731-T751 PolarHBondContact OD2-OG1 3.03Å
732	L	65	Low	79.6	Confident	77 Å²	77	78.3 Å²	78.3	40%	0.403	37%	0.365	S	S	.	.			trans	-89.9	131.7	174.5	-64.6	170.9	0	0	0	109.2	E730 N734 C735	E730-L732 HydrophobicContact CG-CG 4.41Å; E730-L732 PolarHBondContact O-N 3.24Å; L732-N734 PolarHBondContact O-N 3.48Å; L732-C735 PolarHBondContact O-N 2.91Å
733	F	54.7	Low	79.7	Confident	206 Å²	206	76.6 Å²	76.6	90%	0.904	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	-22.1	-170	-69.3	-87.5	0	0	0	117.2
734	N	57.1	Low	79.6	Confident	158 Å²	158	78.2 Å²	78.2	85%	0.845	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.5	16.3	-176.1	-62.2	4.4	0	0	0	113.8	L732	L732-N734 PolarHBondContact O-N 3.48Å
735	C	55.9	Low	79.6	Confident	77 Å²	77	78.5 Å²	78.5	52%	0.52	38%	0.376	S	S	.	.			trans	-130	50.1	-173.8	-77.2	0	0	0	0	114.1	Y729 L732	Y729-C735 WeakPolarHBondContact CE2-O 3.48Å; L732-C735 PolarHBondContact O-N 2.91Å
736	R	67.3	Low	79.6	Confident	229 Å²	229	78.5 Å²	78.5	86%	0.864	38%	0.376	S	S	*	.			trans	-77.4	129	164.2	-67.3	-173.8	176.8	-166.9	-2.6	110
737	P	73.1	Confident	79.4	Confident	33 Å²	33	81.5 Å²	81.5	21%	0.214	39%	0.391	C	S	.	.			trans	-73.1	145.1	175.2	31	-34.6	0	0	0	111	Y729 R739 M747	Y729-P737 HydrophobicContact CE1-CG 4.44Å; Y729-P737 WeakPolarHBondContact OH-CD 3.48Å; P737-R739 PolarHBondContact O-N 2.84Å; P737-M747 HydrophobicContact CB-CB 4.16Å; P737-M747 HydrophobicContact CB-CE 3.89Å; P737-M747 HydrophobicContact CB-SD 3.84Å; P737-M747 HydrophobicContact CG-CB 3.96Å
738	E	73.9	Confident	79.4	Confident	182 Å²	182	80.9 Å²	80.9	85%	0.85	39%	0.388	S	S	*	.	S	Bend	trans	-59	-29.3	175.8	-168.2	-164.4	143	0	0	112.4
739	R	81.4	Confident	79.4	Confident	183 Å²	183	81.9 Å²	81.9	69%	0.691	39%	0.394	S	S	*	.			trans	-140.6	133.4	172.1	-58.4	-174.9	-174	-152.7	-2.3	109.8	P737 R741	P737-R739 PolarHBondContact O-N 2.84Å; R739-R741 PolarHBondContact O-N 2.9Å
740	V	86.4	Confident	79.5	Confident	60 Å²	60	80.2 Å²	80.2	36%	0.364	39%	0.388	S	S	.	.	S	Bend	trans	-67.3	-22.5	175.1	-65.6	0	0	0	0	113.1	W746 M747 L765	V740-W746 HydrophobicContact CG2-CE3 4.45Å; V740-W746 HydrophobicContact CG2-CZ3 4.15Å; V740-W746 CarbonylContact O-C 3.59Å; V740-W746 VanDerWaalsContact O-CA 3.26Å; V740-W746 WeakPolarHBondContact O-CA 3.45Å; V740-M747 PolarHBondContact O-N 3.35Å; V740-L765 WeakPolarHBondContact CG2-O 3.42Å
741	R	89.1	Confident	79.8	Confident	85 Å²	85	82.2 Å²	82.2	32%	0.321	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	141	178	-170.7	165.5	69.3	80.4	-7.3	112.5	D719 R739 G743 V745 W746	D719-R741 VanDerWaalsContact CG-NH2 3.33Å; D719-R741 IonicContact OD1-CZ 2.67Å; D719-R741 IonicContact OD1-NH2 3.34Å; D719-R741 PolarHBondContact OD1-NH2 3.17Å; D719-R741 IonicContact OD2-CZ 2.61Å; D719-R741 IonicContact OD2-NE 3.43Å; D719-R741 PolarHBondContact OD2-NE 3.29Å; D719-R741 IonicContact OD2-NH2 3.96Å; D719-R741 PolarHBondContact OD2-NH2 3.45Å; R739-R741 PolarHBondContact O-N 2.9Å; R741-G743 WeakPolarHBondContact CD-O 3.24Å; R741-G743 VanDerWaalsContact CG-O 3.31Å; R741-G743 WeakPolarHBondContact CG-O 3.38Å; R741-G743 PolarHBondContact NH1-O 2.8Å; R741-V745 WeakPolarHBondContact CA-O 3.31Å; R741-W746 HydrophobicContact CB-CD2 4.25Å; R741-W746 HydrophobicContact CB-CE3 3.71Å; R741-W746 HydrophobicContact CB-CH2 4.32Å; R741-W746 HydrophobicContact CB-CZ3 3.75Å; R741-W746 HydrophobicContact CG-CD2 4.26Å; R741-W746 HydrophobicContact CG-CE3 4.2Å; R741-W746 HydrophobicContact CG-CH2 4.48Å; R741-W746 HydrophobicContact CG-CZ3 4.32Å
742	Q	86.3	Confident	80.8	Confident	133 Å²	133	79.5 Å²	79.5	62%	0.621	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.1	112.2	164.8	-163.8	176.4	21.3	0	0	109.5	P699 K744 V745	P699-Q742 HydrophobicContact CB-CB 4.12Å; P699-Q742 HydrophobicContact CB-CG 3.97Å; P699-Q742 VanDerWaalsContact CB-O 3.29Å; P699-Q742 WeakPolarHBondContact CB-O 3.36Å; P699-Q742 HydrophobicContact CG-CB 4.09Å; P699-Q742 HydrophobicContact CG-CG 3.86Å; P699-Q742 VanDerWaalsContact CG-OE1 3.23Å; Q742-K744 PolarHBondContact O-N 3.13Å; Q742-V745 PolarHBondContact N-O 2.94Å; Q742-V745 PolarHBondContact O-N 3.45Å; Q742-V745 VanDerWaalsContact O-N 3.11Å
743	G	85.8	Confident	82.2	Confident	40 Å²	40	75.8 Å²	75.8	41%	0.412	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	-131.4	-172	0	0	0	0	0	111.5	R741 V745	R741-G743 WeakPolarHBondContact CD-O 3.24Å; R741-G743 VanDerWaalsContact CG-O 3.31Å; R741-G743 WeakPolarHBondContact CG-O 3.38Å; R741-G743 PolarHBondContact NH1-O 2.8Å; G743-V745 VanDerWaalsContact C-N 3.27Å; G743-V745 PolarHBondContact O-N 3.24Å
744	K	86.9	Confident	84.1	Confident	44 Å²	44	66.9 Å²	66.9	19%	0.191	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	5.1	174.8	-75.6	-177	170	175	0	114.5	Q705 I707 N708 C723 Q725 Q742	Q705-K744 PolarHBondContact O-NZ 3.4Å; I707-K744 PolarHBondContact O-NZ 3.35Å; N708-K744 PolarHBondContact OD1-NZ 2.83Å; N708-K744 VanDerWaalsContact OD1-NZ 3.13Å; C723-K744 CarbonylContact C-O 3.45Å; Q725-K744 PolarHBondContact N-O 3.13Å; Q742-K744 PolarHBondContact O-N 3.13Å
745	V	90.9	Very high	85.9	Confident	5 Å²	5	62.2 Å²	62.2	3%	0.03	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	122.3	-170.6	-171.7	0	0	0	0	111.1	P697 P699 Q725 I727 R741 Q742 G743	P697-V745 HydrophobicContact CB-CG1 4.3Å; P697-V745 HydrophobicContact CB-CG2 4.11Å; P697-V745 HydrophobicContact CG-CG1 3.81Å; P697-V745 HydrophobicContact CG-CG2 4.5Å; P699-V745 HydrophobicContact CB-CB 4.48Å; P699-V745 HydrophobicContact CB-CG2 4.22Å; Q725-V745 HydrophobicContact CB-CG1 4.47Å; Q725-V745 HydrophobicContact CB-CG2 4.16Å; Q725-V745 CarbonylContact O-C 3.58Å; Q725-V745 WeakPolarHBondContact O-CA 3.36Å; I727-V745 HydrophobicContact CD1-CG1 3.56Å; I727-V745 HydrophobicContact CG1-CG1 3.85Å; R741-V745 WeakPolarHBondContact CA-O 3.31Å; Q742-V745 PolarHBondContact N-O 2.94Å; Q742-V745 PolarHBondContact O-N 3.45Å; Q742-V745 VanDerWaalsContact O-N 3.11Å; G743-V745 VanDerWaalsContact C-N 3.27Å; G743-V745 PolarHBondContact O-N 3.24Å
746	W	91.8	Very high	87.8	Confident	1 Å²	1	58.5 Å²	58.5	0%	0.004	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	157.4	171.2	-59.7	97.8	0	0	0	112.4	D719 Q720 C723 Q725 Y726 I727 V740 R741 L765 D766	D719-W746 HydrophobicContact CB-CH2 3.97Å; D719-W746 HydrophobicContact CB-CZ2 3.71Å; Q720-W746 HydrophobicContact CB-CZ2 4.36Å; Q720-W746 HydrophobicContact CG-CH2 4.21Å; Q720-W746 HydrophobicContact CG-CZ2 3.48Å; Q720-W746 VanDerWaalsContact CG-CZ2 3.48Å; C723-W746 HydrophobicContact CB-CZ2 4.25Å; C723-W746 PolarHBondContact O-NE1 3.34Å; Q725-W746 PolarHBondContact O-N 3.24Å; Y726-W746 HydrophobicContact CD1-CB 3.73Å; Y726-W746 AromaticContact CD1-CD1 3.72Å; Y726-W746 AromaticContact CD1-CG 3.93Å; Y726-W746 HydrophobicContact CD1-CG 3.93Å; Y726-W746 HydrophobicContact CE1-CB 4.15Å; Y726-W746 AromaticContact CE1-CD1 3.37Å; Y726-W746 AromaticContact CE1-CG 3.83Å; Y726-W746 HydrophobicContact CE1-CG 3.83Å; Y726-W746 AromaticContact CE1-NE1 3.98Å; Y726-W746 HydrophobicContact CG-CB 4.5Å; Y726-W746 AromaticContact CZ-CD1 3.82Å; I727-W746 WeakPolarHBondContact CB-O 3.47Å; I727-W746 PolarHBondContact N-O 3.35Å; V740-W746 HydrophobicContact CG2-CE3 4.45Å; V740-W746 HydrophobicContact CG2-CZ3 4.15Å; V740-W746 CarbonylContact O-C 3.59Å; V740-W746 VanDerWaalsContact O-CA 3.26Å; V740-W746 WeakPolarHBondContact O-CA 3.45Å; R741-W746 HydrophobicContact CB-CD2 4.25Å; R741-W746 HydrophobicContact CB-CE3 3.71Å; R741-W746 HydrophobicContact CB-CH2 4.32Å; R741-W746 HydrophobicContact CB-CZ3 3.75Å; R741-W746 HydrophobicContact CG-CD2 4.26Å; R741-W746 HydrophobicContact CG-CE3 4.2Å; R741-W746 HydrophobicContact CG-CH2 4.48Å; R741-W746 HydrophobicContact CG-CZ3 4.32Å; W746-L765 HydrophobicContact CB-CD1 3.84Å; W746-L765 HydrophobicContact CD2-CB 4.49Å; W746-L765 HydrophobicContact CD2-CD1 3.92Å; W746-L765 HydrophobicContact CE3-CB 3.77Å; W746-L765 HydrophobicContact CE3-CD1 3.95Å; W746-L765 HydrophobicContact CG-CD1 3.88Å; W746-L765 HydrophobicContact CZ3-CB 3.93Å; W746-D766 HydrophobicContact CH2-CB 3.93Å; W746-D766 WeakPolarHBondContact CH2-OD1 3.36Å; W746-D766 WeakPolarHBondContact CH2-OD2 3.05Å; W746-D766 HydrophobicContact CZ3-CB 3.86Å
747	M	90.9	Very high	89.2	Confident	62 Å²	62	47.6 Å²	47.6	31%	0.305	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	116.8	160.9	-68.9	-169.1	59.5	0	0	108.3	I727 Y729 P737 V740	I727-M747 HydrophobicContact CB-CG 4.26Å; I727-M747 HydrophobicContact CD1-CG 4.38Å; I727-M747 WeakPolarHBondContact O-CA 3.33Å; Y729-M747 HydrophobicContact CD1-CB 4.48Å; Y729-M747 HydrophobicContact CD1-CE 4.37Å; Y729-M747 HydrophobicContact CE1-CB 4.14Å; P737-M747 HydrophobicContact CB-CB 4.16Å; P737-M747 HydrophobicContact CB-CE 3.89Å; P737-M747 HydrophobicContact CB-SD 3.84Å; P737-M747 HydrophobicContact CG-CB 3.96Å; V740-M747 PolarHBondContact O-N 3.35Å
748	A	92	Very high	90.3	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	140.1	-175	0	0	0	0	0	111.1	I727 V728 Y729 W752 L765	I727-A748 PolarHBondContact O-N 3.05Å; V728-A748 VanDerWaalsContact CA-O 3.28Å; V728-A748 WeakPolarHBondContact CA-O 3.44Å; Y729-A748 WeakPolarHBondContact CD1-O 3.49Å; Y729-A748 WeakPolarHBondContact CE1-O 3.3Å; Y729-A748 PolarHBondContact N-O 3.05Å; A748-W752 HydrophobicContact CB-CD2 3.98Å; A748-W752 HydrophobicContact CB-CE3 3.51Å; A748-W752 HydrophobicContact CB-CZ3 3.92Å; A748-L765 HydrophobicContact CB-CD1 3.84Å; A748-L765 HydrophobicContact CB-CD2 3.75Å; A748-L765 HydrophobicContact CB-CG 4.48Å
749	P	91.9	Very high	91.3	Very high	21 Å²	21	40.5 Å²	40.5	14%	0.136	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	157.3	173.7	32.8	-35.5	0	0	0	110.7	Y729 D731 T751 W752	Y729-P749 HydrophobicContact CE2-CB 3.9Å; Y729-P749 CarbonylContact O-C 3.48Å; Y729-P749 WeakPolarHBondContact O-CA 3.43Å; D731-P749 HydrophobicContact CB-CB 3.97Å; P749-T751 WeakPolarHBondContact CB-OG1 3.37Å; P749-T751 WeakPolarHBondContact CG-OG1 3.37Å; P749-T751 PolarHBondContact O-N 3.28Å; P749-W752 HydrophobicContact CG-CB 3.99Å; P749-W752 PolarHBondContact O-N 3.31Å
750	S	92.3	Very high	92	Very high	1 Å²	1	32.3 Å²	32.3	1%	0.007	18%	0.179	C	C	.	.	H	α-helix	trans	-59.9	-30	175.7	49.2	0	0	0	0	112.8	H676 Y729 L753 I754	H676-S750 PolarHBondContact CD2-OG 2.82Å; Y729-S750 PolarHBondContact O-N 2.86Å; S750-L753 PolarHBondContact O-N 3.4Å; S750-I754 WeakPolarHBondContact O-CG1 3.43Å; S750-I754 PolarHBondContact O-N 2.84Å
751	T	91.9	Very high	92.4	Very high	53 Å²	53	32.8 Å²	32.8	33%	0.325	18%	0.178	S	C	.	.	H	α-helix	trans	-59.2	-47	175.5	45.7	0	0	0	0	111.7	D731 P749 L753 I754 S755	D731-T751 HydrophobicContact CB-CG2 3.96Å; D731-T751 WeakPolarHBondContact OD2-CG2 3.34Å; D731-T751 PolarHBondContact OD2-OG1 3.03Å; P749-T751 WeakPolarHBondContact CB-OG1 3.37Å; P749-T751 WeakPolarHBondContact CG-OG1 3.37Å; P749-T751 PolarHBondContact O-N 3.28Å; T751-L753 VanDerWaalsContact C-N 3.3Å; T751-L753 PolarHBondContact O-N 3.48Å; T751-I754 PolarHBondContact O-N 3.11Å; T751-S755 PolarHBondContact O-N 2.91Å; T751-S755 PolarHBondContact O-OG 3.39Å
752	W	93.4	Very high	92.6	Very high	19 Å²	19	28.8 Å²	28.8	7%	0.072	16%	0.163	C	C	.	.	H	α-helix	trans	-56	-42.1	174.7	165.1	89.9	0	0	0	112.5	F667 Y726 A748 P749 I754 S755 C756 L762 L763 L765	F667-W752 HydrophobicContact CE1-CH2 4.36Å; F667-W752 HydrophobicContact CE1-CZ3 4.16Å; Y726-W752 AromaticContact CD1-CH2 3.43Å; Y726-W752 HydrophobicContact CD1-CH2 3.43Å; Y726-W752 VanDerWaalsContact CD1-CH2 3.43Å; Y726-W752 HydrophobicContact CD1-CZ2 4.13Å; Y726-W752 AromaticContact CD1-CZ3 3.93Å; Y726-W752 HydrophobicContact CD1-CZ3 3.93Å; Y726-W752 AromaticContact CE1-CH2 3.44Å; Y726-W752 HydrophobicContact CE1-CH2 3.44Å; Y726-W752 VanDerWaalsContact CE1-CH2 3.44Å; Y726-W752 AromaticContact CE1-CZ2 3.77Å; Y726-W752 HydrophobicContact CE1-CZ2 3.77Å; Y726-W752 HydrophobicContact CE1-CZ3 4.38Å; Y726-W752 HydrophobicContact CG-CH2 4.07Å; Y726-W752 HydrophobicContact CG-CZ3 4.38Å; A748-W752 HydrophobicContact CB-CD2 3.98Å; A748-W752 HydrophobicContact CB-CE3 3.51Å; A748-W752 HydrophobicContact CB-CZ3 3.92Å; P749-W752 HydrophobicContact CG-CB 3.99Å; P749-W752 PolarHBondContact O-N 3.31Å; W752-I754 PolarHBondContact O-N 3.12Å; W752-S755 PolarHBondContact O-N 3.08Å; W752-C756 PolarHBondContact O-N 3.26Å; W752-C756 PolarHBondContact O-SG 3.45Å; W752-L762 HydrophobicContact CH2-CD1 4.03Å; W752-L762 HydrophobicContact CZ2-CD1 3.77Å; W752-L763 PolarHBondContact NE1-O 2.86Å; W752-L765 HydrophobicContact CB-CD2 4.3Å; W752-L765 VanDerWaalsContact CD1-CD2 3.44Å; W752-L765 HydrophobicContact CD2-CD1 4.47Å; W752-L765 HydrophobicContact CD2-CD2 3.85Å; W752-L765 HydrophobicContact CD2-CG 4.34Å; W752-L765 HydrophobicContact CG-CD2 3.62Å; W752-L765 HydrophobicContact CG-CG 4.45Å; W752-L765 HydrophobicContact CH2-CD1 4.46Å; W752-L765 HydrophobicContact CZ2-CD1 3.98Å; W752-L765 HydrophobicContact CZ2-CG 4.25Å
753	L	94.2	Very high	93	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.9	-41.3	179.6	-171.7	153.7	0	0	0	111.3	F662 F667 L681 I685 V728 S750 T751 C756 V757	F662-L753 HydrophobicContact CE2-CG 4.26Å; F662-L753 HydrophobicContact CZ-CG 4.36Å; F667-L753 HydrophobicContact CD1-CD1 4.08Å; F667-L753 HydrophobicContact CE1-CD1 4.11Å; L681-L753 HydrophobicContact CD2-CD2 4.12Å; I685-L753 HydrophobicContact CD1-CD1 3.93Å; I685-L753 HydrophobicContact CG1-CD1 3.82Å; V728-L753 HydrophobicContact CG2-CD1 4.02Å; S750-L753 PolarHBondContact O-N 3.4Å; T751-L753 VanDerWaalsContact C-N 3.3Å; T751-L753 PolarHBondContact O-N 3.48Å; L753-C756 PolarHBondContact O-N 2.76Å; L753-V757 HydrophobicContact CD2-CG2 4.32Å; L753-V757 WeakPolarHBondContact O-CG2 3.37Å; L753-V757 PolarHBondContact O-N 2.95Å; L753-V757 VanDerWaalsContact O-N 3.17Å
754	I	94.3	Very high	93.3	Very high	19 Å²	19	25.3 Å²	25.3	10%	0.097	14%	0.142	C	C	.	.	H	α-helix	trans	-63	-46.7	174.3	-60.4	-64	0	0	0	110.2	M611 L681 L684 S750 T751 W752 C756 V757 M758	M611-I754 HydrophobicContact CE-CD1 3.98Å; M611-I754 HydrophobicContact SD-CD1 3.66Å; M611-I754 HydrophobicContact SD-CG2 3.94Å; L681-I754 HydrophobicContact CD2-CD1 4.28Å; L684-I754 HydrophobicContact CD1-CD1 3.86Å; S750-I754 WeakPolarHBondContact O-CG1 3.43Å; S750-I754 PolarHBondContact O-N 2.84Å; T751-I754 PolarHBondContact O-N 3.11Å; W752-I754 PolarHBondContact O-N 3.12Å; I754-C756 PolarHBondContact O-N 2.86Å; I754-V757 PolarHBondContact O-N 2.84Å; I754-V757 VanDerWaalsContact O-N 3.16Å; I754-M758 HydrophobicContact CG2-CG 4.23Å; I754-M758 WeakPolarHBondContact O-CG 3.4Å; I754-M758 PolarHBondContact O-N 3.47Å
755	S	94.8	Very high	93.3	Very high	59 Å²	59	24.4 Å²	24.4	41%	0.413	14%	0.139	S	C	.	.	H	α-helix	trans	-59.5	-43	177.5	-60.8	0	0	0	0	112.7	T751 W752 V757 M758 A759	T751-S755 PolarHBondContact O-N 2.91Å; T751-S755 PolarHBondContact O-OG 3.39Å; W752-S755 PolarHBondContact O-N 3.08Å; S755-V757 VanDerWaalsContact C-N 3.31Å; S755-V757 PolarHBondContact O-N 3.09Å; S755-M758 PolarHBondContact O-N 2.78Å; S755-A759 VanDerWaalsContact O-CB 3.3Å; S755-A759 WeakPolarHBondContact O-CB 3.44Å; S755-A759 PolarHBondContact O-N 3.33Å
756	C	95.8	Very high	92.3	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-58.4	-43.4	175	-68	0	0	0	0	112	F662 W752 L753 I754 F760 E761 L763	F662-C756 HydrophobicContact CE1-CB 4.16Å; F662-C756 HydrophobicContact CZ-CB 4.05Å; W752-C756 PolarHBondContact O-N 3.26Å; W752-C756 PolarHBondContact O-SG 3.45Å; L753-C756 PolarHBondContact O-N 2.76Å; I754-C756 PolarHBondContact O-N 2.86Å; C756-F760 VanDerWaalsContact O-CA 3.3Å; C756-F760 WeakPolarHBondContact O-CA 3.49Å; C756-F760 PolarHBondContact O-N 3.38Å; C756-E761 CarbonylContact C-O 3.55Å; C756-E761 WeakPolarHBondContact CA-O 3.32Å; C756-E761 WeakPolarHBondContact CB-O 3.49Å; C756-E761 PolarHBondContact O-N 2.82Å; C756-E761 VanDerWaalsContact O-N 3.07Å; C756-L763 PolarHBondContact SG-N 2.58Å; C756-L763 VanDerWaalsContact SG-N 3.43Å
757	V	96.4	Very high	90.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-66.8	-42.4	178.1	171.6	0	0	0	0	111.7	M611 I614 L615 L661 F662 L753 I754 S755 F760	M611-V757 HydrophobicContact CB-CG1 3.75Å; M611-V757 HydrophobicContact CG-CG1 3.84Å; M611-V757 HydrophobicContact SD-CG1 4.22Å; I614-V757 WeakPolarHBondContact CG2-O 3.34Å; L615-V757 HydrophobicContact CD1-CG1 3.82Å; L615-V757 HydrophobicContact CD1-CG2 4.06Å; L615-V757 HydrophobicContact CD2-CG1 4.09Å; L615-V757 HydrophobicContact CD2-CG2 4.22Å; L615-V757 HydrophobicContact CG-CG1 3.75Å; L615-V757 HydrophobicContact CG-CG2 4.45Å; L661-V757 HydrophobicContact CD2-CG2 4.4Å; F662-V757 HydrophobicContact CE2-CG2 4.24Å; F662-V757 HydrophobicContact CZ-CG2 4.23Å; L753-V757 HydrophobicContact CD2-CG2 4.32Å; L753-V757 WeakPolarHBondContact O-CG2 3.37Å; L753-V757 PolarHBondContact O-N 2.95Å; L753-V757 VanDerWaalsContact O-N 3.17Å; I754-V757 PolarHBondContact O-N 2.84Å; I754-V757 VanDerWaalsContact O-N 3.16Å; S755-V757 VanDerWaalsContact C-N 3.31Å; S755-V757 PolarHBondContact O-N 3.09Å; V757-F760 PolarHBondContact O-N 3.41Å
758	M	95	Very high	90.2	Very high	35 Å²	35	33.9 Å²	33.9	17%	0.172	20%	0.204	C	C	.	.	H	α-helix	trans	-70.3	-36	-180	-67.2	-57	-61.7	0	0	112.9	A604 M611 I614 G646 I754 S755 F760	A604-M758 HydrophobicContact CB-CE 3.55Å; A604-M758 WeakPolarHBondContact O-CE 3.5Å; M611-M758 HydrophobicContact CG-CG 4.44Å; M611-M758 HydrophobicContact CG-SD 3.41Å; M611-M758 WeakPolarHBondContact CG-SD 3.45Å; M611-M758 HydrophobicContact SD-SD 4.24Å; I614-M758 HydrophobicContact CD1-CE 4.22Å; I614-M758 HydrophobicContact CD1-SD 4.1Å; G646-M758 WeakPolarHBondContact CA-O 3.42Å; I754-M758 HydrophobicContact CG2-CG 4.23Å; I754-M758 WeakPolarHBondContact O-CG 3.4Å; I754-M758 PolarHBondContact O-N 3.47Å; S755-M758 PolarHBondContact O-N 2.78Å; M758-F760 VanDerWaalsContact C-N 3.34Å
759	A	95.2	Very high	90.1	Very high	30 Å²	30	35.7 Å²	35.7	25%	0.248	22%	0.215	C	C	.	.	H	α-helix	trans	-80.9	-13.7	175.8	0	0	0	0	0	113.8	G646 K649 S755 E761	G646-A759 VanDerWaalsContact CA-C 3.46Å; G646-A759 VanDerWaalsContact CA-O 3.26Å; G646-A759 WeakPolarHBondContact CA-O 3.32Å; K649-A759 WeakPolarHBondContact CD-O 3.28Å; S755-A759 VanDerWaalsContact O-CB 3.3Å; S755-A759 WeakPolarHBondContact O-CB 3.44Å; S755-A759 PolarHBondContact O-N 3.33Å; A759-E761 VanDerWaalsContact C-N 3.3Å; A759-E761 HydrophobicContact CB-CB 4.15Å; A759-E761 PolarHBondContact O-N 3.1Å
760	F	96.1	Very high	90	Very high	11 Å²	11	36.5 Å²	36.5	5%	0.048	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	43.6	55.1	-163.1	-163.7	-99.4	0	0	0	112.2	I614 L615 G646 K649 S650 N653 L661 H713 C756 V757 M758	I614-F760 HydrophobicContact CG2-CB 4.24Å; I614-F760 HydrophobicContact CG2-CD2 4.19Å; L615-F760 HydrophobicContact CD2-CD2 4.46Å; L615-F760 HydrophobicContact CD2-CE2 4.43Å; G646-F760 VanDerWaalsContact O-CB 3.27Å; G646-F760 WeakPolarHBondContact O-CB 3.45Å; K649-F760 HydrophobicContact CB-CB 4.24Å; K649-F760 HydrophobicContact CB-CD1 4.08Å; S650-F760 VanDerWaalsContact CB-CD2 3.4Å; S650-F760 VanDerWaalsContact OG-CD2 3.31Å; S650-F760 WeakPolarHBondContact OG-CD2 3.47Å; S650-F760 WeakPolarHBondContact OG-CE2 3.29Å; S650-F760 WeakPolarHBondContact OG-CZ 3.48Å; N653-F760 HydrophobicContact CB-CE1 3.65Å; N653-F760 HydrophobicContact CB-CZ 4.13Å; N653-F760 WeakPolarHBondContact OD1-CZ 3.38Å; L661-F760 HydrophobicContact CB-CD2 4.16Å; L661-F760 HydrophobicContact CB-CE2 3.7Å; L661-F760 HydrophobicContact CB-CZ 4.13Å; L661-F760 HydrophobicContact CD1-CD2 4.31Å; L661-F760 HydrophobicContact CD1-CE2 4.48Å; L661-F760 HydrophobicContact CD1-CG 4.39Å; L661-F760 HydrophobicContact CD2-CD2 4.2Å; L661-F760 HydrophobicContact CG-CD2 4.46Å; L661-F760 HydrophobicContact CG-CE2 4.46Å; H713-F760 AromaticContact CE1-CE1 3.72Å; C756-F760 VanDerWaalsContact O-CA 3.3Å; C756-F760 WeakPolarHBondContact O-CA 3.49Å; C756-F760 PolarHBondContact O-N 3.38Å; V757-F760 PolarHBondContact O-N 3.41Å; M758-F760 VanDerWaalsContact C-N 3.34Å
761	E	94.9	Very high	89.9	Confident	70 Å²	70	38.6 Å²	38.6	33%	0.327	23%	0.232	S	C	.	.	S	Bend	trans	-149.6	144	-176.8	-165.2	165.7	124.4	0	0	109.5	K649 C756 A759 L763	K649-E761 IonicContact NZ-OE2 2.79Å; K649-E761 PolarHBondContact NZ-OE2 3.01Å; C756-E761 CarbonylContact C-O 3.55Å; C756-E761 WeakPolarHBondContact CA-O 3.32Å; C756-E761 WeakPolarHBondContact CB-O 3.49Å; C756-E761 PolarHBondContact O-N 2.82Å; C756-E761 VanDerWaalsContact O-N 3.07Å; A759-E761 VanDerWaalsContact C-N 3.3Å; A759-E761 HydrophobicContact CB-CB 4.15Å; A759-E761 PolarHBondContact O-N 3.1Å; E761-L763 HydrophobicContact CB-CD2 4.2Å; E761-L763 HydrophobicContact CG-CD2 4.32Å; E761-L763 PolarHBondContact O-N 3.02Å
762	L	94.8	Very high	89.8	Confident	2 Å²	2	37.7 Å²	37.7	1%	0.01	23%	0.226	C	C	.	.			trans	-87.7	91.9	174.7	-173.9	62.3	0	0	0	108.4	F662 A711 H713 A714 W752	F662-L762 HydrophobicContact CD1-CD1 4.17Å; F662-L762 HydrophobicContact CE1-CD1 3.91Å; A711-L762 HydrophobicContact CB-CD2 3.78Å; H713-L762 HydrophobicContact CB-CB 4.12Å; A714-L762 HydrophobicContact CB-CD2 3.94Å; W752-L762 HydrophobicContact CH2-CD1 4.03Å; W752-L762 HydrophobicContact CZ2-CD1 3.77Å
763	L	94.3	Very high	89.5	Confident	44 Å²	44	38.9 Å²	38.9	23%	0.23	24%	0.236	C	C	.	.			trans	-69.1	143.9	-172.2	-58.5	172.7	0	0	0	111.5	Q720 W752 C756 E761	Q720-L763 PolarHBondContact NE2-O 3.47Å; Q720-L763 PolarHBondContact OE1-O 2.79Å; W752-L763 PolarHBondContact NE1-O 2.86Å; C756-L763 PolarHBondContact SG-N 2.58Å; C756-L763 VanDerWaalsContact SG-N 3.43Å; E761-L763 HydrophobicContact CB-CD2 4.2Å; E761-L763 HydrophobicContact CG-CD2 4.32Å; E761-L763 PolarHBondContact O-N 3.02Å
764	P	92.1	Very high	89.2	Confident	55 Å²	55	41.7 Å²	41.7	36%	0.357	25%	0.253	S	S	.	.			trans	-57.9	157.1	173.2	25.5	-34.4	0	0	0	112.3	S767	P764-S767 WeakPolarHBondContact CG-OG 3.47Å
765	L	87.1	Confident	88.8	Confident	26 Å²	26	43.5 Å²	43.5	14%	0.136	27%	0.265	C	S	.	.	S	Bend	trans	-120	0.3	175	-75.9	167.9	0	0	0	112	Y726 V740 W746 A748 W752	Y726-L765 HydrophobicContact CD1-CD1 3.91Å; Y726-L765 HydrophobicContact CE1-CD1 3.79Å; V740-L765 WeakPolarHBondContact CG2-O 3.42Å; W746-L765 HydrophobicContact CB-CD1 3.84Å; W746-L765 HydrophobicContact CD2-CB 4.49Å; W746-L765 HydrophobicContact CD2-CD1 3.92Å; W746-L765 HydrophobicContact CE3-CB 3.77Å; W746-L765 HydrophobicContact CE3-CD1 3.95Å; W746-L765 HydrophobicContact CG-CD1 3.88Å; W746-L765 HydrophobicContact CZ3-CB 3.93Å; A748-L765 HydrophobicContact CB-CD1 3.84Å; A748-L765 HydrophobicContact CB-CD2 3.75Å; A748-L765 HydrophobicContact CB-CG 4.48Å; W752-L765 HydrophobicContact CB-CD2 4.3Å; W752-L765 VanDerWaalsContact CD1-CD2 3.44Å; W752-L765 HydrophobicContact CD2-CD1 4.47Å; W752-L765 HydrophobicContact CD2-CD2 3.85Å; W752-L765 HydrophobicContact CD2-CG 4.34Å; W752-L765 HydrophobicContact CG-CD2 3.62Å; W752-L765 HydrophobicContact CG-CG 4.45Å; W752-L765 HydrophobicContact CH2-CD1 4.46Å; W752-L765 HydrophobicContact CZ2-CD1 3.98Å; W752-L765 HydrophobicContact CZ2-CG 4.25Å
766	D	68.9	Low	88.3	Confident	77 Å²	77	42.2 Å²	42.2	41%	0.412	25%	0.253	S	S	.	.			trans	-129.9	10.2	-157.9	34.4	-43.3	0	0	0	112.1	W746	W746-D766 HydrophobicContact CH2-CB 3.93Å; W746-D766 WeakPolarHBondContact CH2-OD1 3.36Å; W746-D766 WeakPolarHBondContact CH2-OD2 3.05Å; W746-D766 HydrophobicContact CZ3-CB 3.86Å
767	S	48.8	Very low	87.6	Confident	156 Å²	156	46 Å²	46	100%	1.091	28%	0.276	S	S	*	.			trans	-122.8	0	175.6	63	0	0	0	0	111.1	P764	P764-S767 WeakPolarHBondContact CG-OG 3.47Å

Retrieved 767 of 767 residues in 157 ms (Link to these results)

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