A0A024R214_HUMAN Loading...

Cytoplasmic polyadenylation element-binding protein 1

AlphaFold DB , UniProt , Accession A0A024R214, Species HUMAN (Homo sapiens, Human), Gene CPEB1, Length 626 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	40.4	Very low	42.4	Very low	250 Å²	250	139.7 Å²	139.7	100%	1.232	71%	0.709	S	S	*	*				0	134.8	0	-65.3	153.8	168	0	0	106.7
2	S	41.4	Very low	42.7	Very low	91 Å²	91	135.4 Å²	135.4	64%	0.636	70%	0.699	S	S	*	*			cis	-148.9	99.1	6.3	175.2	0	0	0	0	110.9
3	W	33	Very low	43.1	Very low	253 Å²	253	135.4 Å²	135.4	96%	0.958	69%	0.694	S	S	*	*	S	Bend	trans	-138.9	21.5	173.6	-87.3	76	0	0	0	112.6
4	K	40	Very low	43.9	Very low	211 Å²	211	131.8 Å²	131.8	92%	0.917	68%	0.675	S	S	*	*	S	Bend	trans	-105.1	7.5	-178.5	-82.2	-166.4	170.8	-170.9	0	115.2
5	S	41.8	Very low	44.3	Very low	79 Å²	79	135.1 Å²	135.1	55%	0.552	68%	0.677	S	S	*	*	S	Bend	trans	-109.7	-1.5	-174.3	54.8	0	0	0	0	115.5
6	S	44.7	Very low	44.8	Very low	76 Å²	76	130.5 Å²	130.5	53%	0.531	66%	0.662	S	S	.	*	S	Bend	trans	-108.5	-10.3	-173.2	-63.6	0	0	0	0	115.9	T9 F10	S6-T9 PolarHBondContact O-N 3.42Å; S6-F10 WeakPolarHBondContact O-CB 3.32Å; S6-F10 PolarHBondContact O-N 3.32Å
7	L	42	Very low	45.5	Very low	122 Å²	122	132.2 Å²	132.2	64%	0.639	67%	0.665	S	S	*	*	H	α-helix	trans	-57.5	-49.1	177.6	-106.9	77.7	0	0	0	113	T9 F10 F11	L7-T9 VanDerWaalsContact C-N 3.29Å; L7-T9 PolarHBondContact O-N 3.27Å; L7-F10 PolarHBondContact O-N 2.85Å; L7-F11 WeakPolarHBondContact O-CD2 3.36Å; L7-F11 PolarHBondContact O-N 3.11Å
8	P	45.3	Very low	45.9	Very low	95 Å²	95	131.6 Å²	131.6	62%	0.617	66%	0.657	S	S	*	*	H	α-helix	trans	-61.2	-38.8	-179.7	-23.1	34.3	0	0	0	112.5	C12	P8-C12 WeakPolarHBondContact O-CB 3.43Å; P8-C12 PolarHBondContact O-N 2.85Å
9	T	47.1	Very low	46.5	Very low	77 Å²	77	130 Å²	130	47%	0.472	65%	0.647	S	S	.	*	H	α-helix	trans	-69.5	-38.8	-179.7	-28.6	0	0	0	0	111.8	S6 L7 C12 H13	S6-T9 PolarHBondContact O-N 3.42Å; L7-T9 VanDerWaalsContact C-N 3.29Å; L7-T9 PolarHBondContact O-N 3.27Å; T9-C12 PolarHBondContact O-N 3.37Å; T9-H13 PolarHBondContact O-CD2 3.23Å; T9-H13 PolarHBondContact O-N 3.32Å
10	F	45.4	Very low	47.1	Very low	148 Å²	148	128.2 Å²	128.2	65%	0.649	64%	0.64	S	S	*	*	H	α-helix	trans	-67.9	-43.2	177.6	-149.4	-98.9	0	0	0	111.5	S6 L7 C12 H13 I14	S6-F10 WeakPolarHBondContact O-CB 3.32Å; S6-F10 PolarHBondContact O-N 3.32Å; L7-F10 PolarHBondContact O-N 2.85Å; F10-C12 PolarHBondContact O-N 3.47Å; F10-H13 PolarHBondContact O-N 3.3Å; F10-I14 HydrophobicContact CD1-CD1 3.68Å; F10-I14 HydrophobicContact CD1-CG1 4.5Å; F10-I14 HydrophobicContact CE1-CD1 3.84Å; F10-I14 WeakPolarHBondContact O-CG1 3.22Å; F10-I14 PolarHBondContact O-N 3.4Å
11	F	44.8	Very low	47.5	Very low	135 Å²	135	127.2 Å²	127.2	59%	0.592	63%	0.632	S	S	*	*	H	α-helix	trans	-61.6	-41.7	172.1	-92	-89	0	0	0	112.3	L7 H13 I14 Y15	L7-F11 WeakPolarHBondContact O-CD2 3.36Å; L7-F11 PolarHBondContact O-N 3.11Å; F11-H13 PolarHBondContact O-N 3.44Å; F11-I14 PolarHBondContact O-N 3.42Å; F11-Y15 WeakPolarHBondContact O-CB 3.3Å; F11-Y15 PolarHBondContact O-N 3.24Å
12	C	46.7	Very low	48.2	Very low	88 Å²	88	120.5 Å²	120.5	60%	0.595	60%	0.601	S	S	*	*	H	α-helix	trans	-64	-40	178.3	-154.2	0	0	0	0	112.3	P8 T9 F10 Y15 S16	P8-C12 WeakPolarHBondContact O-CB 3.43Å; P8-C12 PolarHBondContact O-N 2.85Å; T9-C12 PolarHBondContact O-N 3.37Å; F10-C12 PolarHBondContact O-N 3.47Å; C12-Y15 PolarHBondContact O-N 2.94Å; C12-S16 WeakPolarHBondContact O-CB 3.46Å; C12-S16 PolarHBondContact O-N 3.48Å
13	H	47.8	Very low	48.7	Very low	135 Å²	135	124.1 Å²	124.1	63%	0.625	60%	0.601	S	S	*	*	H	α-helix	trans	-65.9	-42.1	174	-87	-67.8	0	0	0	113.2	T9 F10 F11 S16 F17	T9-H13 PolarHBondContact O-CD2 3.23Å; T9-H13 PolarHBondContact O-N 3.32Å; F10-H13 PolarHBondContact O-N 3.3Å; F11-H13 PolarHBondContact O-N 3.44Å; H13-S16 PolarHBondContact O-N 3.49Å; H13-F17 WeakPolarHBondContact O-CB 3.48Å; H13-F17 PolarHBondContact O-N 3.19Å
14	I	54.1	Low	49.7	Very low	85 Å²	85	119.1 Å²	119.1	44%	0.436	58%	0.582	S	S	.	*	H	α-helix	trans	-63.7	-42.6	176.3	-69.1	168.5	0	0	0	110.7	F10 F11 F17 F18	F10-I14 HydrophobicContact CD1-CD1 3.68Å; F10-I14 HydrophobicContact CD1-CG1 4.5Å; F10-I14 HydrophobicContact CE1-CD1 3.84Å; F10-I14 WeakPolarHBondContact O-CG1 3.22Å; F10-I14 PolarHBondContact O-N 3.4Å; F11-I14 PolarHBondContact O-N 3.42Å; I14-F17 PolarHBondContact O-N 3.46Å; I14-F18 PolarHBondContact O-N 3.41Å
15	Y	49.9	Very low	50.1	Low	181 Å²	181	113.5 Å²	113.5	71%	0.71	56%	0.562	S	S	*	*	H	α-helix	trans	-66.8	-41.4	179.4	-146	-91	0	0	0	112.1	F11 C12 F18 H19	F11-Y15 WeakPolarHBondContact O-CB 3.3Å; F11-Y15 PolarHBondContact O-N 3.24Å; C12-Y15 PolarHBondContact O-N 2.94Å; Y15-F18 PolarHBondContact O-N 3.03Å; Y15-H19 VanDerWaalsContact O-CB 3.28Å; Y15-H19 WeakPolarHBondContact O-CB 3.48Å; Y15-H19 PolarHBondContact O-N 3.42Å
16	S	52.9	Low	50.4	Low	62 Å²	62	114 Å²	114	43%	0.434	57%	0.565	S	S	.	*	H	α-helix	trans	-63.8	-42.7	174.1	-161.3	0	0	0	0	111.6	C12 H13 F18 H19 D20	C12-S16 WeakPolarHBondContact O-CB 3.46Å; C12-S16 PolarHBondContact O-N 3.48Å; H13-S16 PolarHBondContact O-N 3.49Å; S16-F18 PolarHBondContact O-N 3.37Å; S16-H19 PolarHBondContact O-N 3.15Å; S16-D20 WeakPolarHBondContact O-CB 3.34Å; S16-D20 PolarHBondContact O-N 2.83Å
17	F	55.3	Low	50.4	Low	160 Å²	160	112.7 Å²	112.7	70%	0.702	56%	0.563	S	S	*	*	H	α-helix	trans	-64.1	-39.9	178.6	-161.7	-92.3	0	0	0	112.1	H13 I14 F21	H13-F17 WeakPolarHBondContact O-CB 3.48Å; H13-F17 PolarHBondContact O-N 3.19Å; I14-F17 PolarHBondContact O-N 3.46Å; F17-F21 VanDerWaalsContact O-CB 3.24Å; F17-F21 WeakPolarHBondContact O-CB 3.47Å; F17-F21 PolarHBondContact O-N 3.2Å
18	F	52.9	Low	50.4	Low	120 Å²	120	112.9 Å²	112.9	53%	0.526	56%	0.558	S	S	.	*	H	α-helix	trans	-68.5	-39.6	173.4	-109.4	-92	0	0	0	112.9	I14 Y15 S16 F21 L22	I14-F18 PolarHBondContact O-N 3.41Å; Y15-F18 PolarHBondContact O-N 3.03Å; S16-F18 PolarHBondContact O-N 3.37Å; F18-F21 PolarHBondContact O-N 2.98Å; F18-L22 WeakPolarHBondContact O-CB 2.7Å; F18-L22 PolarHBondContact O-N 3.1Å
19	H	58.4	Low	50.3	Low	102 Å²	102	110.7 Å²	110.7	47%	0.472	55%	0.545	S	S	.	.	H	α-helix	trans	-63.6	-46	177	-173.8	-88.5	0	0	0	111.3	Y15 S16 L22 Y23	Y15-H19 VanDerWaalsContact O-CB 3.28Å; Y15-H19 WeakPolarHBondContact O-CB 3.48Å; Y15-H19 PolarHBondContact O-N 3.42Å; S16-H19 PolarHBondContact O-N 3.15Å; H19-L22 PolarHBondContact O-N 3.14Å; H19-Y23 AromaticContact CE1-CD2 3.75Å; H19-Y23 AromaticContact CE1-CE2 4Å; H19-Y23 WeakPolarHBondContact O-CB 3.45Å; H19-Y23 PolarHBondContact O-N 2.93Å
20	D	57	Low	50	Low	94 Å²	94	112.8 Å²	112.8	50%	0.503	56%	0.558	S	S	.	*	H	α-helix	trans	-67.3	-35.3	177	-68.3	-28.9	0	0	0	112.3	S16 Y23 W24	S16-D20 WeakPolarHBondContact O-CB 3.34Å; S16-D20 PolarHBondContact O-N 2.83Å; D20-Y23 PolarHBondContact O-N 3.39Å; D20-W24 VanDerWaalsContact O-CB 3.3Å; D20-W24 WeakPolarHBondContact O-CB 3.28Å; D20-W24 PolarHBondContact O-N 2.82Å
21	F	56.8	Low	49.6	Very low	108 Å²	108	115.3 Å²	115.3	47%	0.474	57%	0.569	S	S	.	*	H	α-helix	trans	-65	-42.3	173.6	-174.1	-106.7	0	0	0	112.3	F17 F18 W24 L25	F17-F21 VanDerWaalsContact O-CB 3.24Å; F17-F21 WeakPolarHBondContact O-CB 3.47Å; F17-F21 PolarHBondContact O-N 3.2Å; F18-F21 PolarHBondContact O-N 2.98Å; F21-W24 PolarHBondContact O-N 2.91Å; F21-L25 HydrophobicContact CD1-CD1 3.86Å; F21-L25 HydrophobicContact CE1-CD1 3.54Å; F21-L25 HydrophobicContact CZ-CD1 4.01Å; F21-L25 PolarHBondContact O-N 2.8Å
22	L	53.8	Low	49.4	Very low	109 Å²	109	113.5 Å²	113.5	57%	0.571	57%	0.572	S	S	*	*	H	α-helix	trans	-65	-41	172.2	-86.7	158.4	0	0	0	112.1	F18 H19 W24 L25 C26	F18-L22 WeakPolarHBondContact O-CB 2.7Å; F18-L22 PolarHBondContact O-N 3.1Å; H19-L22 PolarHBondContact O-N 3.14Å; L22-W24 VanDerWaalsContact C-N 3.33Å; L22-W24 PolarHBondContact O-N 2.86Å; L22-L25 PolarHBondContact O-N 3.26Å; L22-C26 WeakPolarHBondContact O-CB 3.12Å; L22-C26 PolarHBondContact O-N 3.43Å
23	Y	52.4	Low	48.9	Very low	166 Å²	166	114.9 Å²	114.9	65%	0.651	58%	0.582	S	S	*	*	H	α-helix	trans	-64.1	-37.6	175.5	-125.6	-93.3	0	0	0	112.1	H19 D20 C26 G27	H19-Y23 AromaticContact CE1-CD2 3.75Å; H19-Y23 AromaticContact CE1-CE2 4Å; H19-Y23 WeakPolarHBondContact O-CB 3.45Å; H19-Y23 PolarHBondContact O-N 2.93Å; D20-Y23 PolarHBondContact O-N 3.39Å; Y23-C26 PolarHBondContact O-N 2.65Å; Y23-G27 PolarHBondContact O-N 3.14Å
24	W	54.5	Low	48.8	Very low	148 Å²	148	114 Å²	114	56%	0.561	59%	0.586	S	S	*	*	H	α-helix	trans	-67.8	-41.9	175.6	-175.8	90.1	0	0	0	112.6	D20 F21 L22 K28	D20-W24 VanDerWaalsContact O-CB 3.3Å; D20-W24 WeakPolarHBondContact O-CB 3.28Å; D20-W24 PolarHBondContact O-N 2.82Å; F21-W24 PolarHBondContact O-N 2.91Å; L22-W24 VanDerWaalsContact C-N 3.33Å; L22-W24 PolarHBondContact O-N 2.86Å; W24-K28 HydrophobicContact CZ2-CD 4.38Å; W24-K28 PolarHBondContact O-N 2.98Å
25	L	47.6	Very low	48.3	Very low	93 Å²	93	116.5 Å²	116.5	49%	0.487	61%	0.605	S	S	.	*	H	α-helix	trans	-62.4	-43.5	173.1	-90.8	157.7	0	0	0	112.1	F21 L22	F21-L25 HydrophobicContact CD1-CD1 3.86Å; F21-L25 HydrophobicContact CE1-CD1 3.54Å; F21-L25 HydrophobicContact CZ-CD1 4.01Å; F21-L25 PolarHBondContact O-N 2.8Å; L22-L25 PolarHBondContact O-N 3.26Å
26	C	49.2	Very low	47.8	Very low	91 Å²	91	114 Å²	114	62%	0.615	61%	0.614	S	S	*	*	H	α-helix	trans	-72.2	-43.8	179.2	-159.3	0	0	0	0	112.1	L22 Y23 K28 S29	L22-C26 WeakPolarHBondContact O-CB 3.12Å; L22-C26 PolarHBondContact O-N 3.43Å; Y23-C26 PolarHBondContact O-N 2.65Å; C26-K28 VanDerWaalsContact C-N 3.32Å; C26-K28 PolarHBondContact O-N 3.44Å; C26-S29 WeakPolarHBondContact O-CB 3.24Å; C26-S29 PolarHBondContact O-N 3.33Å
27	G	44	Very low	47.6	Very low	47 Å²	47	114.4 Å²	114.4	49%	0.485	63%	0.628	S	S	.	*	H	α-helix	trans	-63.7	-30.8	-178	0	0	0	0	0	114.3	Y23 S29	Y23-G27 PolarHBondContact O-N 3.14Å; G27-S29 VanDerWaalsContact C-N 3.29Å; G27-S29 PolarHBondContact O-N 3.27Å
28	K	41.9	Very low	47.2	Very low	126 Å²	126	112.8 Å²	112.8	55%	0.548	63%	0.627	S	S	.	*	H	α-helix	trans	-70	-22.7	172.1	-81.3	-175.4	171.5	-179.1	0	113.7	W24 C26 V30	W24-K28 HydrophobicContact CZ2-CD 4.38Å; W24-K28 PolarHBondContact O-N 2.98Å; C26-K28 VanDerWaalsContact C-N 3.32Å; C26-K28 PolarHBondContact O-N 3.44Å; K28-V30 VanDerWaalsContact C-N 3.3Å; K28-V30 PolarHBondContact O-N 2.97Å
29	S	44	Very low	46.8	Very low	49 Å²	49	111.8 Å²	111.8	34%	0.343	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.6	-7.7	-176.5	-162	0	0	0	0	114.5	C26 G27 K42	C26-S29 WeakPolarHBondContact O-CB 3.24Å; C26-S29 PolarHBondContact O-N 3.33Å; G27-S29 VanDerWaalsContact C-N 3.29Å; G27-S29 PolarHBondContact O-N 3.27Å; S29-K42 PolarHBondContact OG-NZ 3.47Å
30	V	39.8	Very low	46.1	Very low	122 Å²	122	114.7 Å²	114.7	74%	0.739	65%	0.646	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-17.6	-179	-176.7	0	0	0	0	112.9	K28	K28-V30 VanDerWaalsContact C-N 3.3Å; K28-V30 PolarHBondContact O-N 2.97Å
31	K	38.8	Very low	45.4	Very low	201 Å²	201	116.6 Å²	116.6	87%	0.874	65%	0.651	S	S	*	*	S	Bend	trans	-100.8	4.3	-179.5	-75.6	-172.6	176.4	-179.9	0	115.5
32	S	38.6	Very low	45.1	Very low	96 Å²	96	117.6 Å²	117.6	67%	0.671	66%	0.655	S	S	*	*			trans	-134.6	72.3	173.7	-162.9	0	0	0	0	110.8
33	C	38.1	Very low	44.9	Very low	118 Å²	118	118.9 Å²	118.9	80%	0.797	66%	0.658	S	S	*	*			trans	-125.6	63	165.7	-94.3	0	0	0	0	110
34	T	45.1	Very low	44.7	Very low	117 Å²	117	116.5 Å²	116.5	72%	0.718	65%	0.653	S	S	*	*	S	Bend	trans	-133.6	124.7	155.1	41	0	0	0	0	108.4
35	T	42.4	Very low	44.4	Very low	136 Å²	136	116.9 Å²	116.9	83%	0.834	66%	0.659	S	S	*	*	S	Bend	trans	69.2	125.4	171	30.7	0	0	0	0	120.6
36	S	39.6	Very low	44.8	Very low	128 Å²	128	117.7 Å²	117.7	90%	0.895	66%	0.662	S	S	*	*			trans	75.9	137.1	164.5	76.3	0	0	0	0	118.2
37	G	49.2	Very low	45.1	Very low	71 Å²	71	117.3 Å²	117.3	73%	0.732	65%	0.653	S	S	*	*			trans	-93.3	139	-167.7	0	0	0	0	0	114
38	N	46.5	Very low	45.6	Very low	127 Å²	127	120.3 Å²	120.3	68%	0.679	66%	0.657	S	S	*	*			trans	-157.6	89.2	162.4	-105.6	-27.4	0	0	0	109.1
39	S	46.2	Very low	46.7	Very low	98 Å²	98	116.4 Å²	116.4	69%	0.685	65%	0.653	S	S	*	*			trans	-89.2	-25.9	176.9	47.8	0	0	0	0	113.4
40	F	42.4	Very low	47.4	Very low	163 Å²	163	119.7 Å²	119.7	72%	0.715	67%	0.665	S	S	*	*	H	α-helix	trans	-67.5	-46.8	-173.7	-114.7	-98.4	0	0	0	113.6	K42 Q43	F40-K42 PolarHBondContact O-N 3.21Å; F40-K42 VanDerWaalsContact O-N 3.17Å; F40-Q43 PolarHBondContact O-N 2.99Å
41	F	41.9	Very low	48.3	Very low	134 Å²	134	119.3 Å²	119.3	59%	0.588	66%	0.656	S	S	*	*	H	α-helix	trans	-65.7	-19	-176.9	-90	-80.7	0	0	0	114.9
42	K	50.8	Low	49.3	Very low	129 Å²	129	112.7 Å²	112.7	56%	0.561	64%	0.639	S	S	*	*	H	α-helix	trans	-77.8	-23.5	178.4	-82.9	-174.2	174.4	-179.8	0	113.3	S29 F40 I46	S29-K42 PolarHBondContact OG-NZ 3.47Å; F40-K42 PolarHBondContact O-N 3.21Å; F40-K42 VanDerWaalsContact O-N 3.17Å; K42-I46 WeakPolarHBondContact O-CD1 3.42Å; K42-I46 WeakPolarHBondContact O-CG1 3.09Å
43	Q	49	Very low	50.7	Low	136 Å²	136	114 Å²	114	64%	0.636	63%	0.632	S	S	*	*	H	α-helix	trans	-86.8	-35.1	-172.4	-161.3	153.1	-0.2	0	0	112.4	F40 I46 I47	F40-Q43 PolarHBondContact O-N 2.99Å; Q43-I46 PolarHBondContact O-N 3.23Å; Q43-I47 HydrophobicContact CG-CD1 4.14Å; Q43-I47 WeakPolarHBondContact O-CG1 3.32Å; Q43-I47 PolarHBondContact O-N 2.74Å; Q43-I47 VanDerWaalsContact O-N 3.16Å
44	E	48.4	Very low	51.7	Low	116 Å²	116	113.9 Å²	113.9	54%	0.542	62%	0.622	S	S	.	*	H	α-helix	trans	-65.9	-41.6	177.5	-66.1	-167.1	146.9	0	0	113.1	I46 I47 L48	E44-I46 VanDerWaalsContact C-N 3.29Å; E44-I46 PolarHBondContact O-N 3.12Å; E44-I47 PolarHBondContact O-N 2.88Å; E44-L48 WeakPolarHBondContact O-CB 3.35Å; E44-L48 PolarHBondContact O-N 3.27Å
45	F	49.1	Very low	52.2	Low	157 Å²	157	113.7 Å²	113.7	69%	0.689	62%	0.616	S	S	*	*	H	α-helix	trans	-64.4	-31.5	178.1	-86.8	-86	0	0	0	113.4	G49	F45-G49 PolarHBondContact O-N 2.95Å; F45-G49 VanDerWaalsContact O-N 3.12Å
46	I	56.4	Low	53.1	Low	110 Å²	110	113.6 Å²	113.6	56%	0.564	61%	0.605	S	S	*	*	H	α-helix	trans	-72.1	-43.5	175.1	-65.1	172	0	0	0	110	K42 Q43 E44 G49 M50	K42-I46 WeakPolarHBondContact O-CD1 3.42Å; K42-I46 WeakPolarHBondContact O-CG1 3.09Å; Q43-I46 PolarHBondContact O-N 3.23Å; E44-I46 VanDerWaalsContact C-N 3.29Å; E44-I46 PolarHBondContact O-N 3.12Å; I46-G49 PolarHBondContact O-N 2.97Å; I46-M50 HydrophobicContact CG2-SD 4.2Å; I46-M50 WeakPolarHBondContact O-CG 3.43Å; I46-M50 PolarHBondContact O-N 3.01Å
47	I	54.2	Low	53.9	Low	83 Å²	83	109.3 Å²	109.3	43%	0.426	57%	0.574	S	S	.	*	H	α-helix	trans	-64.9	-44.8	178.9	-67.5	167.1	0	0	0	111.1	Q43 E44 G49 M50 M51	Q43-I47 HydrophobicContact CG-CD1 4.14Å; Q43-I47 WeakPolarHBondContact O-CG1 3.32Å; Q43-I47 PolarHBondContact O-N 2.74Å; Q43-I47 VanDerWaalsContact O-N 3.16Å; E44-I47 PolarHBondContact O-N 2.88Å; I47-G49 VanDerWaalsContact C-N 3.34Å; I47-G49 PolarHBondContact O-N 3.05Å; I47-M50 PolarHBondContact O-N 2.89Å; I47-M51 HydrophobicContact CG2-CE 4Å; I47-M51 HydrophobicContact CG2-SD 3.99Å; I47-M51 WeakPolarHBondContact O-CG 3.4Å; I47-M51 PolarHBondContact O-N 2.95Å
48	L	56.3	Low	54.4	Low	109 Å²	109	110.5 Å²	110.5	57%	0.571	57%	0.567	S	S	*	*	H	α-helix	trans	-60.7	-40.6	174.8	-79.9	161	0	0	0	112.3	E44 M51 A52	E44-L48 WeakPolarHBondContact O-CB 3.35Å; E44-L48 PolarHBondContact O-N 3.27Å; L48-M51 PolarHBondContact O-N 3.14Å; L48-A52 WeakPolarHBondContact O-CB 3.39Å; L48-A52 PolarHBondContact O-N 3.04Å
49	G	63.3	Low	55	Low	45 Å²	45	108.2 Å²	108.2	46%	0.464	56%	0.558	S	S	.	*	H	α-helix	trans	-64.4	-39.6	174.6	0	0	0	0	0	113.3	F45 I46 I47 F53	F45-G49 PolarHBondContact O-N 2.95Å; F45-G49 VanDerWaalsContact O-N 3.12Å; I46-G49 PolarHBondContact O-N 2.97Å; I47-G49 VanDerWaalsContact C-N 3.34Å; I47-G49 PolarHBondContact O-N 3.05Å; G49-F53 WeakPolarHBondContact O-CB 3.3Å; G49-F53 PolarHBondContact O-N 2.85Å; G49-F53 VanDerWaalsContact O-N 3.15Å
50	M	59.2	Low	55.4	Low	118 Å²	118	107.4 Å²	107.4	58%	0.581	55%	0.545	S	S	*	.	H	α-helix	trans	-70.8	-36.6	176.8	-70.5	-178.6	72.4	0	0	112.7	I46 I47 F53 M54	I46-M50 HydrophobicContact CG2-SD 4.2Å; I46-M50 WeakPolarHBondContact O-CG 3.43Å; I46-M50 PolarHBondContact O-N 3.01Å; I47-M50 PolarHBondContact O-N 2.89Å; M50-F53 PolarHBondContact O-N 2.7Å; M50-M54 WeakPolarHBondContact O-CG 3.38Å; M50-M54 PolarHBondContact O-N 2.96Å
51	M	58.8	Low	55.9	Low	114 Å²	114	106.1 Å²	106.1	56%	0.562	54%	0.543	S	S	*	.	H	α-helix	trans	-64.7	-48.3	174.6	-74.6	174.8	164.4	0	0	111.4	I47 L48 F53 M54 D55	I47-M51 HydrophobicContact CG2-CE 4Å; I47-M51 HydrophobicContact CG2-SD 3.99Å; I47-M51 WeakPolarHBondContact O-CG 3.4Å; I47-M51 PolarHBondContact O-N 2.95Å; L48-M51 PolarHBondContact O-N 3.14Å; M51-F53 VanDerWaalsContact C-N 3.26Å; M51-F53 PolarHBondContact O-N 2.81Å; M51-M54 PolarHBondContact O-N 2.88Å; M51-M54 VanDerWaalsContact O-N 3.12Å; M51-D55 PolarHBondContact O-N 2.89Å
52	A	60.6	Low	56.1	Low	61 Å²	61	102.2 Å²	102.2	50%	0.504	54%	0.535	S	S	.	.	H	α-helix	trans	-60.5	-34.4	176.5	0	0	0	0	0	113.1	L48 F56	L48-A52 WeakPolarHBondContact O-CB 3.39Å; L48-A52 PolarHBondContact O-N 3.04Å; A52-F56 WeakPolarHBondContact O-CB 3.29Å; A52-F56 PolarHBondContact O-N 2.74Å; A52-F56 VanDerWaalsContact O-N 3.12Å
53	F	66.7	Low	55.8	Low	123 Å²	123	100.5 Å²	100.5	54%	0.539	53%	0.532	S	S	.	.	H	α-helix	trans	-69.6	-37.9	175	-177.9	-96.5	0	0	0	113	G49 M50 M51 S57	G49-F53 WeakPolarHBondContact O-CB 3.3Å; G49-F53 PolarHBondContact O-N 2.85Å; G49-F53 VanDerWaalsContact O-N 3.15Å; M50-F53 PolarHBondContact O-N 2.7Å; M51-F53 VanDerWaalsContact C-N 3.26Å; M51-F53 PolarHBondContact O-N 2.81Å; F53-S57 WeakPolarHBondContact O-CB 3.29Å; F53-S57 PolarHBondContact O-N 2.82Å; F53-S57 PolarHBondContact O-OG 2.95Å
54	M	59.9	Low	55.6	Low	116 Å²	116	97.5 Å²	97.5	57%	0.571	53%	0.525	S	S	*	.	H	α-helix	trans	-65.8	-48.6	174.8	-73.8	-71.4	-178	0	0	111.4	M50 M51 F56 S57 V58	M50-M54 WeakPolarHBondContact O-CG 3.38Å; M50-M54 PolarHBondContact O-N 2.96Å; M51-M54 PolarHBondContact O-N 2.88Å; M51-M54 VanDerWaalsContact O-N 3.12Å; M54-F56 VanDerWaalsContact C-N 3.34Å; M54-F56 PolarHBondContact O-N 3.45Å; M54-S57 PolarHBondContact O-N 3.12Å; M54-S57 VanDerWaalsContact O-N 3.14Å; M54-V58 WeakPolarHBondContact O-CG2 3.49Å; M54-V58 PolarHBondContact O-N 3.01Å
55	D	55.8	Low	55.3	Low	113 Å²	113	97.7 Å²	97.7	60%	0.604	53%	0.529	S	S	*	.	H	α-helix	trans	-61.3	-41.8	179.3	-72.3	-20.4	0	0	0	111.9	M51 V58 T59	M51-D55 PolarHBondContact O-N 2.89Å; D55-V58 PolarHBondContact O-N 2.9Å; D55-T59 WeakPolarHBondContact O-CB 3.15Å; D55-T59 PolarHBondContact O-N 3.06Å; D55-T59 PolarHBondContact O-OG1 3.17Å
56	F	61.4	Low	55	Low	135 Å²	135	97 Å²	97	59%	0.592	53%	0.528	S	S	*	.	H	α-helix	trans	-63.7	-40.6	175	-173.7	-101.7	0	0	0	112.3	A52 M54 T59 M60	A52-F56 WeakPolarHBondContact O-CB 3.29Å; A52-F56 PolarHBondContact O-N 2.74Å; A52-F56 VanDerWaalsContact O-N 3.12Å; M54-F56 VanDerWaalsContact C-N 3.34Å; M54-F56 PolarHBondContact O-N 3.45Å; F56-T59 PolarHBondContact O-N 2.64Å; F56-M60 HydrophobicContact CD1-CG 4.38Å; F56-M60 HydrophobicContact CE1-CG 4.02Å; F56-M60 HydrophobicContact CE2-CG 4.45Å; F56-M60 HydrophobicContact CZ-CG 4.06Å; F56-M60 HydrophobicContact CZ-SD 4.42Å; F56-M60 WeakPolarHBondContact O-CB 3.45Å; F56-M60 WeakPolarHBondContact O-CG 2.85Å; F56-M60 PolarHBondContact O-N 3.42Å
57	S	56.9	Low	54.3	Low	37 Å²	37	99.3 Å²	99.3	26%	0.259	54%	0.537	S	S	.	.	H	α-helix	trans	-67	-42	178.5	-60.2	0	0	0	0	112.3	F53 M54 M60 M61	F53-S57 WeakPolarHBondContact O-CB 3.29Å; F53-S57 PolarHBondContact O-N 2.82Å; F53-S57 PolarHBondContact O-OG 2.95Å; M54-S57 PolarHBondContact O-N 3.12Å; M54-S57 VanDerWaalsContact O-N 3.14Å; S57-M60 PolarHBondContact O-N 3.42Å; S57-M61 WeakPolarHBondContact O-CG 3.49Å; S57-M61 PolarHBondContact O-N 3.47Å
58	V	59.2	Low	53.5	Low	96 Å²	96	102.8 Å²	102.8	58%	0.582	55%	0.551	S	S	*	*	H	α-helix	trans	-65.8	-42.7	176.7	171.8	0	0	0	0	110.9	M54 D55 M60 M61 A62	M54-V58 WeakPolarHBondContact O-CG2 3.49Å; M54-V58 PolarHBondContact O-N 3.01Å; D55-V58 PolarHBondContact O-N 2.9Å; V58-M60 PolarHBondContact O-N 3.01Å; V58-M61 PolarHBondContact O-N 3.05Å; V58-A62 PolarHBondContact O-N 3.04Å
59	T	58.9	Low	52.6	Low	80 Å²	80	101.6 Å²	101.6	49%	0.491	56%	0.557	S	S	.	*	H	α-helix	trans	-63.1	-41.2	177.7	-53.2	0	0	0	0	111.8	D55 F56 A62 L63	D55-T59 WeakPolarHBondContact O-CB 3.15Å; D55-T59 PolarHBondContact O-N 3.06Å; D55-T59 PolarHBondContact O-OG1 3.17Å; F56-T59 PolarHBondContact O-N 2.64Å; T59-A62 PolarHBondContact O-N 3.49Å; T59-L63 HydrophobicContact CG2-CD1 4.4Å; T59-L63 WeakPolarHBondContact O-CG 3.18Å; T59-L63 PolarHBondContact O-N 2.91Å; T59-L63 VanDerWaalsContact O-N 3.12Å
60	M	54.3	Low	51.4	Low	81 Å²	81	102.4 Å²	102.4	40%	0.399	57%	0.565	S	S	.	*	H	α-helix	trans	-69.4	-31.6	176.6	-73.5	-62	-56.2	0	0	113.3	F56 S57 V58 L63 S64	F56-M60 HydrophobicContact CD1-CG 4.38Å; F56-M60 HydrophobicContact CE1-CG 4.02Å; F56-M60 HydrophobicContact CE2-CG 4.45Å; F56-M60 HydrophobicContact CZ-CG 4.06Å; F56-M60 HydrophobicContact CZ-SD 4.42Å; F56-M60 WeakPolarHBondContact O-CB 3.45Å; F56-M60 WeakPolarHBondContact O-CG 2.85Å; F56-M60 PolarHBondContact O-N 3.42Å; S57-M60 PolarHBondContact O-N 3.42Å; V58-M60 PolarHBondContact O-N 3.01Å; M60-L63 HydrophobicContact SD-CD1 4.38Å; M60-S64 PolarHBondContact O-N 2.99Å; M60-S64 PolarHBondContact O-OG 2.82Å
61	M	52.9	Low	50.4	Low	136 Å²	136	106.9 Å²	106.9	67%	0.67	58%	0.576	S	S	*	*	H	α-helix	trans	-70.1	-38.1	171.9	-75.1	-170.7	-178	0	0	112.3	S57 V58 S64 L65	S57-M61 WeakPolarHBondContact O-CG 3.49Å; S57-M61 PolarHBondContact O-N 3.47Å; V58-M61 PolarHBondContact O-N 3.05Å; M61-S64 PolarHBondContact O-N 3.07Å; M61-L65 PolarHBondContact O-N 3.49Å
62	A	45.2	Very low	49.3	Very low	52 Å²	52	109 Å²	109	43%	0.43	59%	0.588	S	S	.	*	H	α-helix	trans	-61.6	-48.6	175.8	0	0	0	0	0	111.7	V58 T59 S64 L65 E66	V58-A62 PolarHBondContact O-N 3.04Å; T59-A62 PolarHBondContact O-N 3.49Å; A62-S64 PolarHBondContact O-N 3.28Å; A62-L65 PolarHBondContact O-N 3.45Å; A62-L65 VanDerWaalsContact O-N 3.08Å; A62-E66 PolarHBondContact O-N 3.48Å; A62-E66 VanDerWaalsContact O-N 3.16Å
63	L	45	Very low	47.9	Very low	93 Å²	93	115.5 Å²	115.5	49%	0.487	61%	0.605	S	S	.	*	H	α-helix	trans	-60.6	-32.7	175.9	-71.9	166.6	0	0	0	113	T59 M60 L65 E67	T59-L63 HydrophobicContact CG2-CD1 4.4Å; T59-L63 WeakPolarHBondContact O-CG 3.18Å; T59-L63 PolarHBondContact O-N 2.91Å; T59-L63 VanDerWaalsContact O-N 3.12Å; M60-L63 HydrophobicContact SD-CD1 4.38Å; L63-L65 VanDerWaalsContact C-N 3.34Å; L63-E67 PolarHBondContact O-N 2.98Å
64	S	45.1	Very low	46	Very low	72 Å²	72	117.4 Å²	117.4	50%	0.503	62%	0.621	S	S	.	*	H	α-helix	trans	-72.5	-25.8	177.1	-57.3	0	0	0	0	113.1	M60 M61 A62	M60-S64 PolarHBondContact O-N 2.99Å; M60-S64 PolarHBondContact O-OG 2.82Å; M61-S64 PolarHBondContact O-N 3.07Å; A62-S64 PolarHBondContact O-N 3.28Å
65	L	41.8	Very low	44.5	Very low	120 Å²	120	117.3 Å²	117.3	63%	0.628	63%	0.63	S	S	*	*	H	α-helix	trans	-84.2	-32.4	177.9	-76.2	165.6	0	0	0	112.5	M61 A62 L63 E68 A69	M61-L65 PolarHBondContact O-N 3.49Å; A62-L65 PolarHBondContact O-N 3.45Å; A62-L65 VanDerWaalsContact O-N 3.08Å; L63-L65 VanDerWaalsContact C-N 3.34Å; L65-E68 PolarHBondContact O-N 3.11Å; L65-A69 PolarHBondContact O-N 2.83Å
66	E	42.3	Very low	43.1	Very low	143 Å²	143	123.9 Å²	123.9	67%	0.668	65%	0.646	S	S	*	*	H	α-helix	trans	-65.9	-38.1	173.2	-71.8	-173.3	135.4	0	0	112.2	A62 E68 A69 G70	A62-E66 PolarHBondContact O-N 3.48Å; A62-E66 VanDerWaalsContact O-N 3.16Å; E66-E68 VanDerWaalsContact C-N 3.26Å; E66-E68 PolarHBondContact O-N 2.87Å; E66-A69 PolarHBondContact O-N 3.31Å; E66-G70 PolarHBondContact O-N 3.17Å
67	E	42.6	Very low	41.5	Very low	158 Å²	158	123.8 Å²	123.8	74%	0.738	65%	0.652	S	S	*	*	H	α-helix	trans	-67.8	-24.2	178.7	-152.2	-173.4	174	0	0	112.9	L63	L63-E67 PolarHBondContact O-N 2.98Å
68	E	38.3	Very low	40.2	Very low	156 Å²	156	128.9 Å²	128.9	73%	0.729	68%	0.677	S	S	*	*	H	α-helix	trans	-85.2	-32.4	178.4	-157.2	171.4	-139.7	0	0	112.6	L65 E66	L65-E68 PolarHBondContact O-N 3.11Å; E66-E68 VanDerWaalsContact C-N 3.26Å; E66-E68 PolarHBondContact O-N 2.87Å
69	A	37.5	Very low	38.7	Very low	84 Å²	84	133.8 Å²	133.8	69%	0.694	69%	0.693	S	S	*	*	H	α-helix	trans	-71.6	-27.5	177.7	0	0	0	0	0	113.7	L65 E66 R71	L65-A69 PolarHBondContact O-N 2.83Å; E66-A69 PolarHBondContact O-N 3.31Å; A69-R71 VanDerWaalsContact C-N 3.29Å; A69-R71 PolarHBondContact O-N 2.88Å
70	G	37.3	Very low	37.4	Very low	62 Å²	62	139.1 Å²	139.1	64%	0.639	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	3.3	-173.1	0	0	0	0	0	117.3	E66	E66-G70 PolarHBondContact O-N 3.17Å
71	R	37.4	Very low	36.5	Very low	213 Å²	213	139.8 Å²	139.8	80%	0.804	73%	0.731	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	3.4	-168.4	-166	171.3	-83	174.4	3.5	116.4	A69	A69-R71 VanDerWaalsContact C-N 3.29Å; A69-R71 PolarHBondContact O-N 2.88Å
72	I	37.3	Very low	36.1	Very low	158 Å²	158	138.3 Å²	138.3	81%	0.81	73%	0.732	S	S	*	*	S	Bend	trans	-132.7	52.8	-174.2	-38	-179.3	0	0	0	114.3
73	K	29.9	Very low	36.1	Very low	197 Å²	197	137 Å²	137	86%	0.857	72%	0.721	S	S	*	*			trans	-163.5	47.8	153.3	-138.2	167.5	-178.3	174.4	0	119.5
74	D	27.4	Very low	36.2	Very low	164 Å²	164	134.6 Å²	134.6	88%	0.877	71%	0.708	S	S	*	*			trans	-112.1	98.4	170.5	-77.5	-44.2	0	0	0	113.1
75	C	27.8	Very low	36.5	Very low	113 Å²	113	135.9 Å²	135.9	76%	0.764	72%	0.717	S	S	*	*			trans	174.3	117.7	137.6	-170.1	0	0	0	0	109.3
76	W	26.1	Very low	37	Very low	251 Å²	251	135.5 Å²	135.5	95%	0.951	72%	0.72	S	S	*	*			trans	178.9	158.4	130.1	-105	62	0	0	0	108.8
77	D	27.6	Very low	37.8	Very low	134 Å²	134	129.9 Å²	129.9	72%	0.717	70%	0.696	S	S	*	*			trans	-75.9	157.8	-147	-99.9	-64.5	0	0	0	120.3
78	N	30.8	Very low	38.9	Very low	144 Å²	144	127.9 Å²	127.9	77%	0.77	70%	0.7	S	S	*	*			trans	-21.2	128.4	154.6	-62.7	-86.4	0	0	0	117.7
79	Q	27	Very low	40.1	Very low	198 Å²	198	124.4 Å²	124.4	93%	0.925	69%	0.686	S	S	*	*			trans	-158.3	147.9	133.2	-140.4	160.3	10.5	0	0	112.9
80	E	32.3	Very low	41.7	Very low	192 Å²	192	120.7 Å²	120.7	90%	0.897	66%	0.655	S	S	*	*			trans	-76.7	171.8	-177.9	-62.6	171.7	107.7	0	0	114.3
81	A	34.3	Very low	43.1	Very low	95 Å²	95	122.7 Å²	122.7	79%	0.785	65%	0.651	S	S	*	*			trans	125.8	153.4	157.6	0	0	0	0	0	115.5
82	P	45.8	Very low	44.9	Very low	106 Å²	106	117 Å²	117	69%	0.688	64%	0.636	S	S	*	*			trans	-118.3	117.3	-140.2	37.4	-25.2	0	0	0	115.4
83	A	45.1	Very low	46.7	Very low	25 Å²	25	113.1 Å²	113.1	21%	0.207	61%	0.613	C	S	.	*	S	Bend	trans	-93.8	0.7	-170.5	0	0	0	0	0	117.2	S107	A83-S107 WeakPolarHBondContact CB-O 3.39Å
84	L	47.3	Very low	48.8	Very low	42 Å²	42	109.1 Å²	109.1	22%	0.22	59%	0.593	C	S	.	*	S	Bend	trans	-126.2	13.3	-170.6	-72.1	175.6	0	0	0	116	A90 R94 F106	L84-A90 WeakPolarHBondContact O-CB 3.39Å; L84-R94 HydrophobicContact CD1-CG 4.02Å; L84-F106 HydrophobicContact CD1-CB 4.19Å; L84-F106 HydrophobicContact CD1-CD2 4.06Å; L84-F106 HydrophobicContact CD2-CB 4.08Å; L84-F106 HydrophobicContact CD2-CD2 4.49Å; L84-F106 HydrophobicContact CG-CB 4.33Å
85	S	49.9	Very low	51	Low	98 Å²	98	110.6 Å²	110.6	69%	0.685	59%	0.586	S	S	*	*	S	Bend	trans	-89.3	-15.4	179.1	51.4	0	0	0	0	114.4
86	T	52.7	Low	53.3	Low	112 Å²	112	109 Å²	109	69%	0.687	57%	0.569	S	S	*	*	S	Bend	trans	-106.6	-1.3	-167	50	0	0	0	0	115.8
87	C	60.1	Low	55.7	Low	26 Å²	26	97.7 Å²	97.7	18%	0.176	53%	0.527	C	S	.	.			trans	-113.1	132.3	178.3	70.3	0	0	0	0	112.8	N89 A90 C110	C87-N89 PolarHBondContact O-N 2.91Å; C87-A90 VanDerWaalsContact O-CB 3.29Å; C87-A90 WeakPolarHBondContact O-CB 3.44Å; C87-A90 PolarHBondContact O-N 2.78Å; C87-C110 HydrophobicContact CB-CB 4.19Å; C87-C110 VanDerWaalsContact CB-SG 3.55Å
88	S	64.1	Low	58	Low	116 Å²	116	94.1 Å²	94.1	81%	0.811	52%	0.516	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.6	-177.8	59.1	0	0	0	0	113.6
89	N	64.8	Low	60.4	Low	83 Å²	83	93.8 Å²	93.8	44%	0.444	51%	0.513	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	7.8	-178.6	-64.1	-22.5	0	0	0	113.5	C87 N91 I92 F93	C87-N89 PolarHBondContact O-N 2.91Å; N89-N91 PolarHBondContact O-N 3.4Å; N89-N91 VanDerWaalsContact O-N 3.12Å; N89-I92 HydrophobicContact CB-CD1 4.28Å; N89-I92 WeakPolarHBondContact O-CA 3.22Å; N89-I92 WeakPolarHBondContact O-CB 3.45Å; N89-I92 PolarHBondContact O-N 3.38Å; N89-F93 HydrophobicContact CB-CD2 4.19Å; N89-F93 HydrophobicContact CB-CE2 3.86Å; N89-F93 WeakPolarHBondContact O-CD2 3.45Å; N89-F93 PolarHBondContact O-N 3.4Å
90	A	71.1	Confident	62.5	Low	5 Å²	5	88 Å²	88	4%	0.041	49%	0.488	C	S	.	.	H	α-helix	trans	-53.2	-36.2	-178.3	0	0	0	0	0	113.8	L84 C87 I92 R94	L84-A90 WeakPolarHBondContact O-CB 3.39Å; C87-A90 VanDerWaalsContact O-CB 3.29Å; C87-A90 WeakPolarHBondContact O-CB 3.44Å; C87-A90 PolarHBondContact O-N 2.78Å; A90-I92 VanDerWaalsContact C-N 3.31Å; A90-I92 PolarHBondContact O-N 3.05Å; A90-R94 WeakPolarHBondContact O-CB 3.49Å; A90-R94 PolarHBondContact O-N 3.25Å
91	N	65.7	Low	64.7	Low	104 Å²	104	86 Å²	86	56%	0.556	48%	0.483	S	S	*	.	H	α-helix	trans	-67.4	-29.2	176.3	-74.2	-25.3	0	0	0	113	N89 R94 R95	N89-N91 PolarHBondContact O-N 3.4Å; N89-N91 VanDerWaalsContact O-N 3.12Å; N91-R94 VanDerWaalsContact OD1-CZ 3.24Å; N91-R94 PolarHBondContact OD1-NH1 2.91Å; N91-R94 PolarHBondContact OD1-NH2 2.92Å; N91-R95 WeakPolarHBondContact O-CG 3.32Å; N91-R95 PolarHBondContact O-N 3.42Å; N91-R95 VanDerWaalsContact O-N 3.14Å
92	I	75.9	Confident	66.5	Low	94 Å²	94	86.9 Å²	86.9	48%	0.482	48%	0.475	S	S	.	.	H	α-helix	trans	-74.3	-48.5	177.1	-57.6	175.5	0	0	0	109.3	N89 A90 R94 R95 I96	N89-I92 HydrophobicContact CB-CD1 4.28Å; N89-I92 WeakPolarHBondContact O-CA 3.22Å; N89-I92 WeakPolarHBondContact O-CB 3.45Å; N89-I92 PolarHBondContact O-N 3.38Å; A90-I92 VanDerWaalsContact C-N 3.31Å; A90-I92 PolarHBondContact O-N 3.05Å; I92-R94 VanDerWaalsContact C-N 3.35Å; I92-R94 PolarHBondContact O-N 3.22Å; I92-R95 PolarHBondContact O-N 3.38Å; I92-R95 VanDerWaalsContact O-N 3.12Å; I92-I96 HydrophobicContact CG2-CD1 3.89Å; I92-I96 HydrophobicContact CG2-CG1 4.5Å; I92-I96 WeakPolarHBondContact O-CG1 3.28Å; I92-I96 PolarHBondContact O-N 2.72Å
93	F	75.6	Confident	67.9	Low	77 Å²	77	86.2 Å²	86.2	34%	0.338	47%	0.473	S	S	.	.	H	α-helix	trans	-61.1	-41.1	176.7	-67.7	-68.2	0	0	0	112.3	N89 R95 I96 N97 F106	N89-F93 HydrophobicContact CB-CD2 4.19Å; N89-F93 HydrophobicContact CB-CE2 3.86Å; N89-F93 WeakPolarHBondContact O-CD2 3.45Å; N89-F93 PolarHBondContact O-N 3.4Å; F93-R95 PolarHBondContact O-N 2.88Å; F93-I96 PolarHBondContact O-N 3.01Å; F93-N97 WeakPolarHBondContact O-CB 3.32Å; F93-N97 PolarHBondContact O-N 3.03Å; F93-F106 HydrophobicContact CB-CE2 4.06Å; F93-F106 HydrophobicContact CB-CZ 4.17Å; F93-F106 WeakPolarHBondContact O-CE2 3.19Å
94	R	72.8	Confident	69.2	Low	113 Å²	113	88.6 Å²	88.6	43%	0.426	48%	0.481	S	S	.	.	H	α-helix	trans	-62.5	-38.2	172.7	-79.5	-173.9	-92.1	106	1.5	113.2	L84 A90 N91 I92 A98	L84-R94 HydrophobicContact CD1-CG 4.02Å; A90-R94 WeakPolarHBondContact O-CB 3.49Å; A90-R94 PolarHBondContact O-N 3.25Å; N91-R94 VanDerWaalsContact OD1-CZ 3.24Å; N91-R94 PolarHBondContact OD1-NH1 2.91Å; N91-R94 PolarHBondContact OD1-NH2 2.92Å; I92-R94 VanDerWaalsContact C-N 3.35Å; I92-R94 PolarHBondContact O-N 3.22Å; R94-A98 WeakPolarHBondContact O-CB 3.44Å; R94-A98 PolarHBondContact O-N 3.44Å
95	R	73.8	Confident	70.2	Confident	195 Å²	195	92.5 Å²	92.5	74%	0.736	50%	0.503	S	S	*	.	H	α-helix	trans	-67.5	-42	174.1	-83.2	-175.6	173.5	-167	-1.4	113	N91 I92 F93 N97 A98 I99	N91-R95 WeakPolarHBondContact O-CG 3.32Å; N91-R95 PolarHBondContact O-N 3.42Å; N91-R95 VanDerWaalsContact O-N 3.14Å; I92-R95 PolarHBondContact O-N 3.38Å; I92-R95 VanDerWaalsContact O-N 3.12Å; F93-R95 PolarHBondContact O-N 2.88Å; R95-N97 VanDerWaalsContact C-N 3.33Å; R95-A98 PolarHBondContact O-N 3.39Å; R95-I99 WeakPolarHBondContact O-CD1 3.34Å; R95-I99 VanDerWaalsContact O-CG1 3.32Å; R95-I99 WeakPolarHBondContact O-CG1 3.18Å; R95-I99 PolarHBondContact O-N 2.89Å; R95-I99 VanDerWaalsContact O-N 3.13Å
96	I	77.3	Confident	70.9	Confident	79 Å²	79	89.1 Å²	89.1	41%	0.405	48%	0.476	S	S	.	.	H	α-helix	trans	-63.5	-42.6	177.1	-68.1	168.5	0	0	0	110.1	I92 F93 I99 L100	I92-I96 HydrophobicContact CG2-CD1 3.89Å; I92-I96 HydrophobicContact CG2-CG1 4.5Å; I92-I96 WeakPolarHBondContact O-CG1 3.28Å; I92-I96 PolarHBondContact O-N 2.72Å; F93-I96 PolarHBondContact O-N 3.01Å; I96-I99 WeakPolarHBondContact O-CB 3.33Å; I96-I99 PolarHBondContact O-N 2.93Å; I96-I99 VanDerWaalsContact O-N 3.16Å; I96-L100 HydrophobicContact CG2-CD1 3.99Å; I96-L100 WeakPolarHBondContact O-CG 3.27Å; I96-L100 PolarHBondContact O-N 3.07Å
97	N	76.7	Confident	71.1	Confident	13 Å²	13	86.6 Å²	86.6	7%	0.07	46%	0.463	C	S	.	.	H	α-helix	trans	-68.7	-35.6	178.7	-157	21	0	0	0	112.7	F93 R95 I99 L100 D101 N102 S103 L104 F106	F93-N97 WeakPolarHBondContact O-CB 3.32Å; F93-N97 PolarHBondContact O-N 3.03Å; R95-N97 VanDerWaalsContact C-N 3.33Å; N97-I99 PolarHBondContact O-N 3.16Å; N97-L100 CarbonylContact O-C 3.57Å; N97-L100 VanDerWaalsContact O-C 3.22Å; N97-L100 WeakPolarHBondContact O-CA 3.12Å; N97-L100 PolarHBondContact O-N 3.27Å; N97-D101 PolarHBondContact O-N 3Å; N97-N102 WeakPolarHBondContact O-CA 3.25Å; N97-N102 PolarHBondContact O-N 2.87Å; N97-N102 VanDerWaalsContact OD1-C 3.29Å; N97-N102 VanDerWaalsContact OD1-CA 3.31Å; N97-N102 WeakPolarHBondContact OD1-CA 3.24Å; N97-S103 PolarHBondContact OD1-N 2.97Å; N97-L104 PolarHBondContact ND2-O 3.33Å; N97-L104 VanDerWaalsContact OD1-CB 3.26Å; N97-L104 WeakPolarHBondContact OD1-CB 3.42Å; N97-L104 PolarHBondContact OD1-N 2.83Å; N97-F106 HydrophobicContact CB-CE2 3.52Å; N97-F106 HydrophobicContact CB-CZ 3.84Å
98	A	75.9	Confident	70.8	Confident	59 Å²	59	95.3 Å²	95.3	49%	0.488	49%	0.492	S	S	.	.	H	α-helix	trans	-66.5	-22.4	172.1	0	0	0	0	0	113.7	R94 R95 L100	R94-A98 WeakPolarHBondContact O-CB 3.44Å; R94-A98 PolarHBondContact O-N 3.44Å; R95-A98 PolarHBondContact O-N 3.39Å; A98-L100 VanDerWaalsContact C-N 3.31Å
99	I	79.8	Confident	70.3	Confident	137 Å²	137	92.5 Å²	92.5	70%	0.703	47%	0.47	S	S	*	.	H	α-helix	trans	-80.8	-16.4	170.6	-67.3	163.5	0	0	0	111.3	R95 I96 N97	R95-I99 WeakPolarHBondContact O-CD1 3.34Å; R95-I99 VanDerWaalsContact O-CG1 3.32Å; R95-I99 WeakPolarHBondContact O-CG1 3.18Å; R95-I99 PolarHBondContact O-N 2.89Å; R95-I99 VanDerWaalsContact O-N 3.13Å; I96-I99 WeakPolarHBondContact O-CB 3.33Å; I96-I99 PolarHBondContact O-N 2.93Å; I96-I99 VanDerWaalsContact O-N 3.16Å; N97-I99 PolarHBondContact O-N 3.16Å
100	L	70.9	Confident	69.5	Low	78 Å²	78	91.6 Å²	91.6	41%	0.408	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	28.9	179.7	-60.8	171.1	0	0	0	111.4	I96 N97 A98 N102 S103 L104	I96-L100 HydrophobicContact CG2-CD1 3.99Å; I96-L100 WeakPolarHBondContact O-CG 3.27Å; I96-L100 PolarHBondContact O-N 3.07Å; N97-L100 CarbonylContact O-C 3.57Å; N97-L100 VanDerWaalsContact O-C 3.22Å; N97-L100 WeakPolarHBondContact O-CA 3.12Å; N97-L100 PolarHBondContact O-N 3.27Å; A98-L100 VanDerWaalsContact C-N 3.31Å; L100-N102 PolarHBondContact O-N 3.31Å; L100-S103 VanDerWaalsContact O-CB 3.23Å; L100-S103 WeakPolarHBondContact O-CB 3.47Å; L100-S103 PolarHBondContact O-N 2.86Å; L100-S103 PolarHBondContact O-OG 2.95Å; L100-L104 HydrophobicContact CD1-CD1 3.76Å; L100-L104 HydrophobicContact CD1-CG 4.3Å
101	D	78.7	Confident	68.2	Low	148 Å²	148	95.9 Å²	95.9	79%	0.791	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	35.2	179.9	-67.1	-39.4	0	0	0	115.5	N97 S103	N97-D101 PolarHBondContact O-N 3Å; D101-S103 PolarHBondContact O-N 2.81Å
102	N	73.6	Confident	67	Low	115 Å²	115	96.8 Å²	96.8	62%	0.615	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	23.2	-177	-51.5	-69.9	0	0	0	115	N97 L100 L104	N97-N102 WeakPolarHBondContact O-CA 3.25Å; N97-N102 PolarHBondContact O-N 2.87Å; N97-N102 VanDerWaalsContact OD1-C 3.29Å; N97-N102 VanDerWaalsContact OD1-CA 3.31Å; N97-N102 WeakPolarHBondContact OD1-CA 3.24Å; L100-N102 PolarHBondContact O-N 3.31Å; N102-L104 PolarHBondContact O-N 2.94Å
103	S	74.2	Confident	64.9	Low	91 Å²	91	98.2 Å²	98.2	64%	0.636	52%	0.52	S	S	*	.			trans	-65.8	-11.5	180	57.9	0	0	0	0	115.5	N97 L100 D101	N97-S103 PolarHBondContact OD1-N 2.97Å; L100-S103 VanDerWaalsContact O-CB 3.23Å; L100-S103 WeakPolarHBondContact O-CB 3.47Å; L100-S103 PolarHBondContact O-N 2.86Å; L100-S103 PolarHBondContact O-OG 2.95Å; D101-S103 PolarHBondContact O-N 2.81Å
104	L	72.1	Confident	62.8	Low	75 Å²	75	101.9 Å²	101.9	39%	0.393	54%	0.541	S	S	.	.			trans	-99.9	123	178.4	-51.9	177	0	0	0	111.3	N97 L100 N102 F106	N97-L104 PolarHBondContact ND2-O 3.33Å; N97-L104 VanDerWaalsContact OD1-CB 3.26Å; N97-L104 WeakPolarHBondContact OD1-CB 3.42Å; N97-L104 PolarHBondContact OD1-N 2.83Å; L100-L104 HydrophobicContact CD1-CD1 3.76Å; L100-L104 HydrophobicContact CD1-CG 4.3Å; N102-L104 PolarHBondContact O-N 2.94Å; L104-F106 HydrophobicContact CB-CD1 4.38Å; L104-F106 HydrophobicContact CB-CE1 3.73Å; L104-F106 HydrophobicContact CB-CZ 3.89Å; L104-F106 HydrophobicContact CD1-CE1 4.06Å; L104-F106 HydrophobicContact CD1-CZ 3.99Å
105	D	68.3	Low	60.7	Low	125 Å²	125	104 Å²	104	67%	0.668	56%	0.561	S	S	*	*			trans	-81.6	124.7	167.5	179.7	22.1	0	0	0	110.7	S107	D105-S107 VanDerWaalsContact CG-OG 3.25Å; D105-S107 WeakPolarHBondContact OD1-CB 3.47Å; D105-S107 PolarHBondContact OD1-N 2.85Å; D105-S107 PolarHBondContact OD1-OG 3.43Å; D105-S107 WeakPolarHBondContact OD2-CB 3.35Å; D105-S107 PolarHBondContact OD2-OG 2.79Å
106	F	65.6	Low	58.5	Low	27 Å²	27	105.8 Å²	105.8	12%	0.118	57%	0.568	C	S	.	*			trans	-107.5	10.4	176.8	-58.8	-43.5	0	0	0	113.7	L84 F93 N97 L104 R108 V109	L84-F106 HydrophobicContact CD1-CB 4.19Å; L84-F106 HydrophobicContact CD1-CD2 4.06Å; L84-F106 HydrophobicContact CD2-CB 4.08Å; L84-F106 HydrophobicContact CD2-CD2 4.49Å; L84-F106 HydrophobicContact CG-CB 4.33Å; F93-F106 HydrophobicContact CB-CE2 4.06Å; F93-F106 HydrophobicContact CB-CZ 4.17Å; F93-F106 WeakPolarHBondContact O-CE2 3.19Å; N97-F106 HydrophobicContact CB-CE2 3.52Å; N97-F106 HydrophobicContact CB-CZ 3.84Å; L104-F106 HydrophobicContact CB-CD1 4.38Å; L104-F106 HydrophobicContact CB-CE1 3.73Å; L104-F106 HydrophobicContact CB-CZ 3.89Å; L104-F106 HydrophobicContact CD1-CE1 4.06Å; L104-F106 HydrophobicContact CD1-CZ 3.99Å; F106-R108 PolarHBondContact O-N 3.3Å; F106-V109 HydrophobicContact CB-CB 4.37Å; F106-V109 HydrophobicContact CB-CG2 4.31Å; F106-V109 HydrophobicContact CD1-CG2 3.98Å; F106-V109 PolarHBondContact O-N 3.13Å
107	S	56.1	Low	56.1	Low	59 Å²	59	105.4 Å²	105.4	41%	0.413	58%	0.584	S	S	.	*	T	Hydrogen-bonded Turn	trans	-51.9	-19.3	-179.4	65.9	0	0	0	0	115.4	A83 D105	A83-S107 WeakPolarHBondContact CB-O 3.39Å; D105-S107 VanDerWaalsContact CG-OG 3.25Å; D105-S107 WeakPolarHBondContact OD1-CB 3.47Å; D105-S107 PolarHBondContact OD1-N 2.85Å; D105-S107 PolarHBondContact OD1-OG 3.43Å; D105-S107 WeakPolarHBondContact OD2-CB 3.35Å; D105-S107 PolarHBondContact OD2-OG 2.79Å
108	R	53.2	Low	53.8	Low	209 Å²	209	112 Å²	112	79%	0.789	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-120.7	2.4	179.9	-59.3	-175	-179.1	-157.9	-2.6	114.7	F106 T111	F106-R108 PolarHBondContact O-N 3.3Å; R108-T111 PolarHBondContact O-OG1 3.19Å
109	V	53.8	Low	51.5	Low	57 Å²	57	118 Å²	118	35%	0.345	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.5	136.2	179.3	-179.6	0	0	0	0	108.8	F106 T111	F106-V109 HydrophobicContact CB-CB 4.37Å; F106-V109 HydrophobicContact CB-CG2 4.31Å; F106-V109 HydrophobicContact CD1-CG2 3.98Å; F106-V109 PolarHBondContact O-N 3.13Å; V109-T111 VanDerWaalsContact C-N 3.35Å; V109-T111 PolarHBondContact O-N 3.34Å
110	C	48.6	Very low	48.9	Very low	64 Å²	64	117.7 Å²	117.7	43%	0.432	64%	0.635	S	S	.	*	T	Hydrogen-bonded Turn	trans	65.5	21.5	-177	-61	0	0	0	0	116.8	C87 T112	C87-C110 HydrophobicContact CB-CB 4.19Å; C87-C110 VanDerWaalsContact CB-SG 3.55Å; C110-T112 PolarHBondContact O-N 2.98Å
111	T	44.1	Very low	46.8	Very low	95 Å²	95	122.1 Å²	122.1	58%	0.583	65%	0.653	S	S	*	*			trans	-82.8	101.7	165.2	57.1	0	0	0	0	111	R108 V109	R108-T111 PolarHBondContact O-OG1 3.19Å; V109-T111 VanDerWaalsContact C-N 3.35Å; V109-T111 PolarHBondContact O-N 3.34Å
112	T	39.3	Very low	44.3	Very low	122 Å²	122	123 Å²	123	75%	0.748	66%	0.656	S	S	*	*			trans	-75.8	130.9	165.4	40.9	0	0	0	0	109.8	C110 I114	C110-T112 PolarHBondContact O-N 2.98Å; T112-I114 PolarHBondContact O-N 3.47Å
113	P	33.3	Very low	42.5	Very low	125 Å²	125	122.6 Å²	122.6	81%	0.812	66%	0.66	S	S	*	*			trans	-71.3	116.4	173.9	28.2	-31.9	0	0	0	109.4	N115	P113-N115 PolarHBondContact O-N 2.86Å; P113-N115 VanDerWaalsContact O-N 3.11Å
114	I	31.2	Very low	40.2	Very low	154 Å²	154	124.2 Å²	124.2	79%	0.79	66%	0.662	S	S	*	*			trans	-65.1	111.2	172.6	-67.9	171.7	0	0	0	108.2	T112 R116	T112-I114 PolarHBondContact O-N 3.47Å; I114-R116 PolarHBondContact O-N 2.84Å
115	N	28.1	Very low	38	Very low	156 Å²	156	128 Å²	128	83%	0.834	68%	0.675	S	S	*	*			trans	-69.9	115.3	169.4	-160.9	8.3	0	0	0	107.8	P113 G117	P113-N115 PolarHBondContact O-N 2.86Å; P113-N115 VanDerWaalsContact O-N 3.11Å; N115-G117 VanDerWaalsContact C-N 3.27Å; N115-G117 PolarHBondContact O-N 3.12Å
116	R	27.1	Very low	36.1	Very low	233 Å²	233	129.6 Å²	129.6	88%	0.879	68%	0.679	S	S	*	*			trans	-71.8	83	177.9	-84.8	-175.1	170.1	176.9	-2.9	110	I114 I118	I114-R116 PolarHBondContact O-N 2.84Å; R116-I118 PolarHBondContact O-N 2.94Å
117	G	26.7	Very low	34.3	Very low	72 Å²	72	134.8 Å²	134.8	74%	0.742	71%	0.708	S	S	*	*			trans	-65.4	116.4	159.1	0	0	0	0	0	109.1	N115 H119	N115-G117 VanDerWaalsContact C-N 3.27Å; N115-G117 PolarHBondContact O-N 3.12Å; G117-H119 PolarHBondContact O-N 2.77Å
118	I	29.5	Very low	33.1	Very low	150 Å²	150	136.3 Å²	136.3	77%	0.769	72%	0.719	S	S	*	*			trans	-71.5	118.2	163.5	-64.4	171.5	0	0	0	106.4	R116	R116-I118 PolarHBondContact O-N 2.94Å
119	H	27.8	Very low	31.8	Very low	186 Å²	186	135.1 Å²	135.1	86%	0.861	72%	0.722	S	S	*	*			trans	-151.5	138.7	156.2	-113.7	-69.1	0	0	0	110.5	G117	G117-H119 PolarHBondContact O-N 2.77Å
120	D	25.6	Very low	30.5	Very low	131 Å²	131	140.3 Å²	140.3	70%	0.701	74%	0.742	S	S	*	*			trans	-74	147.1	-167.8	-62.3	-78.8	0	0	0	115.2
121	H	25.9	Very low	29.4	Very low	171 Å²	171	142.9 Å²	142.9	79%	0.792	76%	0.756	S	S	*	*			trans	14.7	110.9	144.6	-69.9	-78.3	0	0	0	119.7
122	L	27	Very low	28.6	Very low	165 Å²	165	144.7 Å²	144.7	86%	0.864	77%	0.767	S	S	*	*				175.3	154.1	103.7	-89.8	157	0	0	0	111.2
123	P	35.6	Very low	28	Very low	107 Å²	107	144.9 Å²	144.9	70%	0.695	77%	0.768	S	S	*	*			trans	-100.1	169.4	-170.2	40.3	-36.1	0	0	0	114
124	D	24.8	Very low	27.7	Very low	125 Å²	125	145 Å²	145	67%	0.668	77%	0.772	S	S	*	*				165.3	163.1	92.9	-147.5	-8.8	0	0	0	114.2
125	F	27.4	Very low	27.6	Very low	154 Å²	154	148.7 Å²	148.7	68%	0.675	78%	0.776	S	S	*	*			trans	65.5	127.6	173.7	-60.7	-81.8	0	0	0	118.9
126	Q	28.2	Very low	27.4	Very low	160 Å²	160	149.1 Å²	149.1	75%	0.748	78%	0.775	S	S	*	*				62.5	134.4	68.5	-88.5	177	-7.3	0	0	112.8
127	D	27	Very low	27.4	Very low	136 Å²	136	145 Å²	145	73%	0.727	77%	0.769	S	S	*	*			cis	-164.2	-177.3	15.6	-152.5	-15.6	0	0	0	112
128	S	30.3	Very low	27.7	Very low	91 Å²	91	150.8 Å²	150.8	64%	0.636	78%	0.775	S	S	*	*			trans	72.4	108.5	148.1	-48.8	0	0	0	0	123
129	E	27.1	Very low	27.8	Very low	184 Å²	184	149.5 Å²	149.5	86%	0.86	78%	0.776	S	S	*	*				45.3	148.5	116.7	-82.2	-172.7	140.2	0	0	126.6
130	E	26.2	Very low	27.7	Very low	165 Å²	165	147.1 Å²	147.1	77%	0.771	78%	0.775	S	S	*	*			trans	71.3	110.8	153.9	-69.3	-158.9	129.5	0	0	123.9
131	T	26.1	Very low	28	Very low	118 Å²	118	146.5 Å²	146.5	72%	0.724	78%	0.781	S	S	*	*				41.4	121.6	115.1	-37.1	0	0	0	0	120.2
132	V	26.4	Very low	28.3	Very low	134 Å²	134	142.1 Å²	142.1	81%	0.812	77%	0.774	S	S	*	*				-178.9	145.8	119.7	145.7	0	0	0	0	112.8
133	T	27.9	Very low	28.4	Very low	125 Å²	125	142.3 Å²	142.3	77%	0.767	77%	0.77	S	S	*	*			trans	-72.1	150	174.8	51.7	0	0	0	0	114.4
134	S	26.8	Very low	27.9	Very low	127 Å²	127	145.2 Å²	145.2	89%	0.888	77%	0.774	S	S	*	*			trans	-157.3	161.8	145.2	-96.1	0	0	0	0	115.4
135	R	28.6	Very low	28	Very low	233 Å²	233	144.2 Å²	144.2	88%	0.879	78%	0.777	S	S	*	*			trans	-104	-177.8	-171.5	-74	170.5	155.3	162.6	-7.3	112.2
136	M	24.6	Very low	28	Very low	165 Å²	165	142 Å²	142	81%	0.813	78%	0.781	S	S	*	*			trans	85.4	149.2	155.7	-60.9	-167.1	150.4	0	0	116
137	L	26.3	Very low	28.1	Very low	145 Å²	145	146.5 Å²	146.5	76%	0.759	79%	0.791	S	S	*	*			cis	-159.9	162.4	-12.5	-113.2	169.3	0	0	0	108.9
138	F	32.6	Very low	28	Very low	195 Å²	195	144 Å²	144	86%	0.855	80%	0.797	S	S	*	*			trans	-90.9	155	163.6	-74.3	-88.8	0	0	0	111.2
139	P	31.7	Very low	28	Very low	123 Å²	123	147.4 Å²	147.4	80%	0.799	81%	0.808	S	S	*	*			trans	-112.4	157.7	156.2	36.3	-26.9	0	0	0	113.6
140	T	25.4	Very low	28.4	Very low	136 Å²	136	144.8 Å²	144.8	83%	0.834	81%	0.806	S	S	*	*			trans	-138.3	168.5	179.2	-42.1	0	0	0	0	109.1
141	S	32.8	Very low	28.5	Very low	118 Å²	118	144.1 Å²	144.1	83%	0.825	81%	0.808	S	S	*	*			trans	103	152.3	169	78.1	0	0	0	0	116.2
142	A	31.4	Very low	28.6	Very low	78 Å²	78	141.6 Å²	141.6	65%	0.645	80%	0.799	S	S	*	*			cis	-173	160.4	-25.9	0	0	0	0	0	110.6
143	Q	30.1	Very low	29	Very low	170 Å²	170	142.5 Å²	142.5	79%	0.794	80%	0.8	S	S	*	*			trans	59	158.8	151.3	-79	-179.5	-63.9	0	0	120.1
144	E	24.2	Very low	28.9	Very low	167 Å²	167	143.6 Å²	143.6	78%	0.78	80%	0.801	S	S	*	*			cis	-161	-177.6	-26.7	-157.3	150.4	-151.4	0	0	109.2
145	S	26.4	Very low	29	Very low	105 Å²	105	144.1 Å²	144.1	73%	0.734	79%	0.793	S	S	*	*			trans	-87.6	160.1	-160.4	64.6	0	0	0	0	118.9
146	S	28.1	Very low	28.9	Very low	108 Å²	108	137.9 Å²	137.9	76%	0.755	78%	0.784	S	S	*	*				-178.7	139	117.2	47.6	0	0	0	0	118.2
147	R	29.8	Very low	29.1	Very low	254 Å²	254	137.9 Å²	137.9	96%	0.958	79%	0.786	S	S	*	*			trans	52.4	126.5	146.1	-64.7	178.5	178.8	178.5	0.2	123
148	G	26	Very low	29.1	Very low	82 Å²	82	134.3 Å²	134.3	85%	0.845	79%	0.785	S	S	*	*			trans	148	109.1	146.2	0	0	0	0	0	116.1
149	L	29.6	Very low	28.8	Very low	164 Å²	164	131.6 Å²	131.6	86%	0.859	78%	0.778	S	S	*	*			trans	-102.7	147.7	164	-91.6	165.5	0	0	0	108.8
150	P	36.2	Very low	28.6	Very low	129 Å²	129	133.7 Å²	133.7	84%	0.838	78%	0.777	S	S	*	*				-135.5	-167.2	92.2	37.7	-23.7	0	0	0	114.3
151	D	27.1	Very low	28.5	Very low	150 Å²	150	132 Å²	132	80%	0.802	77%	0.771	S	S	*	*			trans	-110.1	160.9	-148	-171.7	30.3	0	0	0	115.9
152	A	29.5	Very low	28.2	Very low	65 Å²	65	133.5 Å²	133.5	54%	0.537	77%	0.769	S	S	.	*			trans	43.1	123.4	157.2	0	0	0	0	0	122.7
153	N	33	Very low	28	Very low	154 Å²	154	135 Å²	135	82%	0.824	78%	0.775	S	S	*	*			trans	65.9	103.4	147.2	-61	-18.8	0	0	0	119.1
154	D	27.3	Very low	27.7	Very low	147 Å²	147	134.2 Å²	134.2	79%	0.786	78%	0.776	S	S	*	*				-160.4	155.6	117.7	-118.9	-23.4	0	0	0	114.2
155	L	28.7	Very low	27.6	Very low	138 Å²	138	132.7 Å²	132.7	72%	0.723	78%	0.778	S	S	*	*			trans	47.6	106.6	149.2	-62.3	170.2	0	0	0	119
156	C	26.3	Very low	27.5	Very low	103 Å²	103	130.8 Å²	130.8	70%	0.696	78%	0.775	S	S	*	*				99.2	129.5	77.4	-100.3	0	0	0	0	114.6
157	L	28.3	Very low	27.3	Very low	164 Å²	164	137.1 Å²	137.1	86%	0.859	78%	0.782	S	S	*	*			trans	55.9	109	143.6	-59.8	171.6	0	0	0	119.9
158	G	25.7	Very low	27	Very low	71 Å²	71	131 Å²	131	73%	0.732	77%	0.768	S	S	*	*				109.8	163.5	123.6	0	0	0	0	0	115.8
159	L	28.2	Very low	27.6	Very low	138 Å²	138	137.4 Å²	137.4	72%	0.723	77%	0.767	S	S	*	*			cis	-151.4	153.4	10.5	-79.6	173.8	0	0	0	110.2
160	Q	25.9	Very low	28.3	Very low	166 Å²	166	134.6 Å²	134.6	78%	0.776	76%	0.759	S	S	*	*			trans	55.5	156.9	137.1	-62.5	161.8	-11.8	0	0	118.3
161	S	25.1	Very low	27.8	Very low	101 Å²	101	139.5 Å²	139.5	71%	0.706	76%	0.761	S	S	*	*			cis	-159.8	169.5	7.7	-134.5	0	0	0	0	107.2
162	L	26.2	Very low	27.8	Very low	149 Å²	149	136.1 Å²	136.1	78%	0.78	75%	0.749	S	S	*	*			cis	-128.5	166.1	7.8	-82.2	164.3	0	0	0	110.3
163	S	26.1	Very low	27.7	Very low	109 Å²	109	138 Å²	138	76%	0.762	75%	0.753	S	S	*	*			trans	-109.6	134	154.6	55.6	0	0	0	0	109.5
164	L	23.6	Very low	27.3	Very low	155 Å²	155	138 Å²	138	81%	0.812	75%	0.749	S	S	*	*			trans	-151.7	124.1	164.3	-114.4	161.2	0	0	0	111.3
165	T	23.4	Very low	27.4	Very low	135 Å²	135	137.7 Å²	137.7	83%	0.828	75%	0.747	S	S	*	*			trans	-133.6	147.1	176	44.9	0	0	0	0	109.4
166	G	23	Very low	27.4	Very low	65 Å²	65	136 Å²	136	67%	0.67	75%	0.746	S	S	*	*			trans	79.5	155	178.3	0	0	0	0	0	113.8
167	W	24.8	Very low	27.5	Very low	241 Å²	241	137.1 Å²	137.1	91%	0.913	75%	0.746	S	S	*	*			cis	-129.4	179.6	10.8	-64.9	50.6	0	0	0	109.5
168	D	23.6	Very low	27.5	Very low	125 Å²	125	133.9 Å²	133.9	67%	0.668	74%	0.736	S	S	*	*			cis	-141	-107.9	3	-167.6	20.9	0	0	0	113.5
169	R	38.4	Very low	27.6	Very low	216 Å²	216	135.3 Å²	135.3	82%	0.815	74%	0.736	S	S	*	*			trans	-160.2	179.9	-157.9	-104	175.1	172.9	178	-2.6	112
170	P	44.9	Very low	27.5	Very low	105 Å²	105	132.9 Å²	132.9	68%	0.682	74%	0.735	S	S	*	*			cis	-122.2	-162.6	15.1	44.4	-28.9	0	0	0	113.9
171	W	25	Very low	27.6	Very low	233 Å²	233	133.7 Å²	133.7	88%	0.883	74%	0.739	S	S	*	*			cis	-144.5	-156.2	9.3	-164.3	-96.8	0	0	0	110.9
172	S	26.6	Very low	27.7	Very low	78 Å²	78	133.9 Å²	133.9	55%	0.545	74%	0.74	S	S	.	*			trans	-91.6	177.6	179.9	69.5	0	0	0	0	113.7
173	T	26.8	Very low	27.6	Very low	104 Å²	104	132.1 Å²	132.1	64%	0.638	74%	0.741	S	S	*	*			cis	-166.4	148.5	35.5	-22.6	0	0	0	0	114.3
174	Q	26.1	Very low	27.8	Very low	155 Å²	155	132.9 Å²	132.9	72%	0.724	74%	0.741	S	S	*	*			trans	53.9	116.2	148	-85.6	156	-11.9	0	0	120.6
175	D	27.6	Very low	28	Very low	141 Å²	141	134.9 Å²	134.9	75%	0.754	75%	0.745	S	S	*	*				79.9	142.7	69.4	-58.4	-20.9	0	0	0	110.7
176	S	30.6	Very low	28.5	Very low	101 Å²	101	133.9 Å²	133.9	71%	0.706	74%	0.744	S	S	*	*			cis	-163.3	167	30.8	-95.3	0	0	0	0	108.4
177	D	27.1	Very low	28.8	Very low	128 Å²	128	137.9 Å²	137.9	68%	0.684	76%	0.755	S	S	*	*			cis	-159.2	161.9	-13.3	-123.1	-59.5	0	0	0	113.5
178	S	28.3	Very low	29.1	Very low	95 Å²	95	134.4 Å²	134.4	66%	0.664	75%	0.753	S	S	*	*			trans	-17.5	168.5	155.6	52.7	0	0	0	0	121.3
179	S	27.5	Very low	29.2	Very low	102 Å²	102	133 Å²	133	71%	0.713	75%	0.753	S	S	*	*			cis	-163.5	148.4	0.5	31.6	0	0	0	0	108.1
180	A	26.7	Very low	28.8	Very low	86 Å²	86	130.9 Å²	130.9	71%	0.711	76%	0.755	S	S	*	*				54.7	141.7	69.6	0	0	0	0	0	114.4
181	Q	27.3	Very low	28	Very low	184 Å²	184	133.3 Å²	133.3	86%	0.86	76%	0.761	S	S	*	*			cis	-166	167.6	-6.6	-117.8	179.3	6	0	0	109.9
182	S	27.1	Very low	28.1	Very low	105 Å²	105	130.6 Å²	130.6	73%	0.734	76%	0.758	S	S	*	*			trans	32.9	129.6	143.7	-163	0	0	0	0	122.1
183	S	25.1	Very low	28.4	Very low	112 Å²	112	133.9 Å²	133.9	78%	0.783	77%	0.77	S	S	*	*				-179.4	151.8	108.8	44.7	0	0	0	0	114
184	T	31.3	Very low	29.2	Very low	125 Å²	125	134 Å²	134	77%	0.767	77%	0.772	S	S	*	*			trans	-101.9	133.1	175	49	0	0	0	0	110.9
185	H	27.9	Very low	29.5	Very low	196 Å²	196	134.5 Å²	134.5	91%	0.907	78%	0.779	S	S	*	*			trans	-153.6	145.1	154.4	-92.7	-69.6	0	0	0	111.7
186	S	33.6	Very low	29.4	Very low	114 Å²	114	131.5 Å²	131.5	80%	0.797	78%	0.781	S	S	*	*			trans	-127.6	124.8	-180	45.6	0	0	0	0	110.7
187	V	29.3	Very low	29.4	Very low	149 Å²	149	133.6 Å²	133.6	90%	0.903	78%	0.784	S	S	*	*			trans	-144.8	147.7	166.5	-162.5	0	0	0	0	109.4
188	L	30.3	Very low	29.6	Very low	168 Å²	168	133.5 Å²	133.5	88%	0.88	79%	0.788	S	S	*	*			trans	-93.4	156.3	-176.9	-109.4	162.5	0	0	0	112.9
189	S	25.8	Very low	29.7	Very low	96 Å²	96	137.4 Å²	137.4	67%	0.671	80%	0.801	S	S	*	*			trans	100	108.9	148.1	-148.7	0	0	0	0	120.1
190	M	30.4	Very low	29.7	Very low	172 Å²	172	135.7 Å²	135.7	85%	0.847	80%	0.799	S	S	*	*			trans	43	138.5	135.9	-56.5	-165.6	177.9	0	0	122
191	L	28.2	Very low	29.8	Very low	155 Å²	155	141.4 Å²	141.4	81%	0.812	81%	0.808	S	S	*	*				-171.8	142.5	109.8	-92.2	167.9	0	0	0	112.4
192	H	27.5	Very low	31	Very low	176 Å²	176	138.1 Å²	138.1	82%	0.815	80%	0.803	S	S	*	*			trans	69	124.6	152.5	-83.6	-123.4	0	0	0	123.9
193	N	33	Very low	31.7	Very low	148 Å²	148	138.1 Å²	138.1	79%	0.791	80%	0.8	S	S	*	*			trans	-113.2	162.5	157.3	-142.7	3.2	0	0	0	106.9
194	P	43	Very low	31.8	Very low	107 Å²	107	140.3 Å²	140.3	70%	0.695	80%	0.802	S	S	*	*				-148.2	144.9	126.5	30.7	-12	0	0	0	117.6
195	L	31.3	Very low	31.4	Very low	165 Å²	165	138.9 Å²	138.9	86%	0.864	80%	0.797	S	S	*	*			trans	68.6	124.5	146.8	-83.3	149.3	0	0	0	121.4
196	G	26.5	Very low	31.4	Very low	77 Å²	77	138.9 Å²	138.9	79%	0.794	80%	0.795	S	S	*	*			trans	165.1	76.5	173.2	0	0	0	0	0	113.6
197	N	30.6	Very low	31.2	Very low	145 Å²	145	141 Å²	141	78%	0.775	80%	0.797	S	S	*	*			trans	-46.5	157.5	172.9	-61.9	-31.9	0	0	0	113.5
198	V	30.4	Very low	31.7	Very low	127 Å²	127	139.1 Å²	139.1	77%	0.77	79%	0.787	S	S	*	*				-169.7	142.1	58.8	164.6	0	0	0	0	110.4
199	L	31.6	Very low	31.6	Very low	176 Å²	176	139.1 Å²	139.1	92%	0.921	79%	0.787	S	S	*	*			trans	31	140.8	144.7	-142.1	70.4	0	0	0	121.1
200	G	27.5	Very low	31.7	Very low	66 Å²	66	141.5 Å²	141.5	68%	0.68	79%	0.793	S	S	*	*			cis	177	162.1	1.6	0	0	0	0	0	110.2
201	K	29.2	Very low	32.3	Very low	206 Å²	206	138.9 Å²	138.9	90%	0.896	79%	0.788	S	S	*	*			trans	-100.5	-164.3	-175.3	-60.5	-179.2	174.1	176.4	0	113.2
202	P	51.6	Low	32.3	Very low	116 Å²	116	139.5 Å²	139.5	75%	0.753	79%	0.792	S	S	*	*				-103.4	-158.8	-110.1	42	-21.8	0	0	0	111.2
203	P	41.6	Very low	32.2	Very low	104 Å²	104	134.9 Å²	134.9	68%	0.675	79%	0.791	S	S	*	*				-163	174.7	71.7	43.4	-20.1	0	0	0	119.4
204	L	27.9	Very low	32	Very low	159 Å²	159	133.7 Å²	133.7	83%	0.832	80%	0.795	S	S	*	*			trans	51.2	141	139.8	-69.2	165.5	0	0	0	125.4
205	S	23.5	Very low	31.4	Very low	95 Å²	95	135.7 Å²	135.7	66%	0.664	80%	0.799	S	S	*	*			trans	92.3	156.5	138.2	70.8	0	0	0	0	122.4
206	F	27.5	Very low	31.3	Very low	195 Å²	195	135.6 Å²	135.6	86%	0.855	80%	0.799	S	S	*	*			trans	93	102.4	172.2	-61.3	-77.4	0	0	0	120.9
207	L	29	Very low	31.6	Very low	160 Å²	160	137.2 Å²	137.2	84%	0.838	79%	0.793	S	S	*	*			trans	-85.5	178.2	135.2	-63.8	170.5	0	0	0	108.3
208	P	39.8	Very low	31.5	Very low	109 Å²	109	138 Å²	138	71%	0.708	80%	0.797	S	S	*	*			cis	-128.9	-177.5	-9	40.2	-24.7	0	0	0	113.3
209	L	27.2	Very low	31.4	Very low	167 Å²	167	139.9 Å²	139.9	87%	0.874	80%	0.795	S	S	*	*				175.9	136.1	128.3	-97	161.2	0	0	0	112.4
210	D	29.1	Very low	31.3	Very low	147 Å²	147	140.5 Å²	140.5	79%	0.786	79%	0.791	S	S	*	*			trans	-75	179.5	168.8	-61.5	-67.7	0	0	0	111.9
211	P	41.8	Very low	32	Very low	116 Å²	116	143 Å²	143	75%	0.753	80%	0.795	S	S	*	*				-137.2	152.5	98.8	37.4	-27.3	0	0	0	116
212	L	28.2	Very low	31.9	Very low	169 Å²	169	137.6 Å²	137.6	89%	0.885	79%	0.789	S	S	*	*			trans	10.4	135.4	149.7	-67.7	67.8	0	0	0	117.9
213	G	25	Very low	31.2	Very low	78 Å²	78	138.4 Å²	138.4	80%	0.804	79%	0.794	S	S	*	*			cis	121.4	128.6	11.7	0	0	0	0	0	111.7
214	S	30.6	Very low	30.5	Very low	124 Å²	124	138.7 Å²	138.7	87%	0.867	80%	0.799	S	S	*	*			trans	-166.7	122.4	155	-163.2	0	0	0	0	110.3
215	D	29.8	Very low	30.7	Very low	148 Å²	148	137.1 Å²	137.1	79%	0.791	80%	0.795	S	S	*	*			trans	-82.5	157.1	178.4	-65.3	-72.5	0	0	0	113
216	L	29.5	Very low	31	Very low	164 Å²	164	143.7 Å²	143.7	86%	0.859	81%	0.805	S	S	*	*				-160.9	106.4	122.3	-142.1	71.3	0	0	0	113.8
217	V	31.3	Very low	31	Very low	111 Å²	111	138.3 Å²	138.3	67%	0.673	81%	0.805	S	S	*	*			trans	25.6	122.5	133.2	-175.9	0	0	0	0	117.4
218	D	29.1	Very low	30.9	Very low	160 Å²	160	136.8 Å²	136.8	86%	0.856	81%	0.808	S	S	*	*				-149.5	167.4	88.9	-133.2	-31	0	0	0	117.6
219	K	28.1	Very low	30.4	Very low	167 Å²	167	142.5 Å²	142.5	73%	0.726	82%	0.815	S	S	*	*			trans	-134.6	107.3	-137.6	-166	-176	-175.9	176	0	117.8
220	F	29.6	Very low	30.5	Very low	190 Å²	190	141.8 Å²	141.8	83%	0.833	81%	0.811	S	S	*	*			trans	61.3	175.5	144.6	-75.2	-100.1	0	0	0	120.4
221	P	42.5	Very low	30.3	Very low	119 Å²	119	142.9 Å²	142.9	77%	0.773	82%	0.817	S	S	*	*			cis	-128.6	171.8	-13.6	23.4	-0.8	0	0	0	115.8
222	A	26.6	Very low	29.5	Very low	92 Å²	92	142.7 Å²	142.7	76%	0.76	81%	0.814	S	S	*	*			trans	-119.7	150.3	155.9	0	0	0	0	0	110.4
223	P	37.9	Very low	29.6	Very low	133 Å²	133	146.2 Å²	146.2	86%	0.864	82%	0.815	S	S	*	*			trans	-90.6	144.4	-179.5	34.6	-33.2	0	0	0	113.5
224	S	27.4	Very low	29.8	Very low	110 Å²	110	148.3 Å²	148.3	77%	0.769	82%	0.815	S	S	*	*			trans	-82.3	164.7	170.6	72.1	0	0	0	0	112.7
225	V	31.6	Very low	29.7	Very low	125 Å²	125	150.1 Å²	150.1	76%	0.758	81%	0.813	S	S	*	*				-166.5	131.6	125.7	138	0	0	0	0	112.3
226	R	29.4	Very low	29.8	Very low	234 Å²	234	151.5 Å²	151.5	88%	0.883	82%	0.819	S	S	*	*			trans	29.8	130.8	156.7	-59.5	-179.6	-178.8	-177.4	0.4	121.6
227	G	26.6	Very low	29.7	Very low	81 Å²	81	148.5 Å²	148.5	84%	0.835	81%	0.805	S	S	*	*			trans	-90.4	174.5	157.1	0	0	0	0	0	114
228	S	28	Very low	29.5	Very low	129 Å²	129	149.4 Å²	149.4	90%	0.902	82%	0.815	S	S	*	*			trans	-137.4	169.2	163.3	-166.8	0	0	0	0	109.9
229	R	28.6	Very low	29.4	Very low	229 Å²	229	151.2 Å²	151.2	86%	0.864	81%	0.81	S	S	*	*			trans	-86.2	149.9	-156.3	-66.4	175.9	171.8	-172.6	-3.6	115.4
230	L	29.4	Very low	29.6	Very low	151 Å²	151	148.6 Å²	148.6	79%	0.791	81%	0.813	S	S	*	*			trans	9.8	126.6	143.7	-63.9	164.2	0	0	0	118.2
231	D	25.1	Very low	29.5	Very low	170 Å²	170	145.1 Å²	145.1	91%	0.909	81%	0.813	S	S	*	*			trans	-143.7	148.9	134.5	-137.1	-26.6	0	0	0	110.5
232	T	25.7	Very low	28.9	Very low	112 Å²	112	144 Å²	144	69%	0.687	81%	0.807	S	S	*	*			trans	-130.7	106	-160	-35.9	0	0	0	0	113.3
233	R	29.8	Very low	29	Very low	243 Å²	243	144.5 Å²	144.5	92%	0.917	80%	0.803	S	S	*	*			trans	-148.4	144.7	158	-74	-161.3	171.3	164.1	-0.7	112
234	P	30.1	Very low	29.1	Very low	123 Å²	123	139.9 Å²	139.9	80%	0.799	77%	0.774	S	S	*	*			trans	-89.9	140.2	-177	34.9	-33.1	0	0	0	112.5
235	I	27	Very low	29.3	Very low	161 Å²	161	139.2 Å²	139.2	83%	0.826	76%	0.762	S	S	*	*			trans	-128.1	108.6	165.1	-63.3	179.4	0	0	0	108.5
236	L	32.9	Very low	29.3	Very low	177 Å²	177	137 Å²	137	93%	0.927	75%	0.752	S	S	*	*			trans	-84.2	100.7	161	-87.4	160.7	0	0	0	107.9
237	D	26.8	Very low	29.5	Very low	102 Å²	102	131.9 Å²	131.9	55%	0.545	74%	0.742	S	S	.	*			trans	-164.7	83.9	155.1	-133.5	-2.1	0	0	0	111.3	R239	D237-R239 PolarHBondContact O-N 3.17Å; D237-R239 VanDerWaalsContact O-N 3.15Å; D237-R239 IonicContact OD1-NE 2.88Å; D237-R239 IonicContact OD2-CZ 2.74Å; D237-R239 IonicContact OD2-NE 3.93Å; D237-R239 PolarHBondContact OD2-NE 3.31Å; D237-R239 VanDerWaalsContact OD2-NE 3.17Å; D237-R239 IonicContact OD2-NH2 3.82Å; D237-R239 PolarHBondContact OD2-NH2 3.16Å
238	S	26.6	Very low	29.9	Very low	129 Å²	129	132 Å²	132	90%	0.902	73%	0.726	S	S	*	*			trans	-86.1	75.9	174.6	-63.6	0	0	0	0	111.2	S240	S238-S240 PolarHBondContact O-N 3.24Å
239	R	28.9	Very low	30.1	Very low	198 Å²	198	129.3 Å²	129.3	75%	0.747	71%	0.708	S	S	*	*			trans	-81.3	102.9	170.4	-62.1	-176.5	-173.1	-161.8	0.9	110.5	D237 S241	D237-R239 PolarHBondContact O-N 3.17Å; D237-R239 VanDerWaalsContact O-N 3.15Å; D237-R239 IonicContact OD1-NE 2.88Å; D237-R239 IonicContact OD2-CZ 2.74Å; D237-R239 IonicContact OD2-NE 3.93Å; D237-R239 PolarHBondContact OD2-NE 3.31Å; D237-R239 VanDerWaalsContact OD2-NE 3.17Å; D237-R239 IonicContact OD2-NH2 3.82Å; D237-R239 PolarHBondContact OD2-NH2 3.16Å; R239-S241 PolarHBondContact O-N 3.48Å
240	S	30.5	Very low	30.4	Very low	112 Å²	112	120.5 Å²	120.5	78%	0.783	69%	0.688	S	S	*	*			trans	-85.4	100.4	168.5	60	0	0	0	0	110.5	S238 S242	S238-S240 PolarHBondContact O-N 3.24Å; S240-S242 PolarHBondContact O-N 2.91Å
241	S	27.4	Very low	30.3	Very low	118 Å²	118	122.6 Å²	122.6	83%	0.825	69%	0.691	S	S	*	*			trans	-71.1	121.6	178.5	-57.4	0	0	0	0	112	R239	R239-S241 PolarHBondContact O-N 3.48Å
242	S	31.6	Very low	30.5	Very low	94 Å²	94	118.9 Å²	118.9	66%	0.657	68%	0.678	S	S	*	*			trans	-115.5	120.4	170.3	-65.8	0	0	0	0	109.3	S240 S244	S240-S242 PolarHBondContact O-N 2.91Å; S242-S244 PolarHBondContact O-N 3.26Å
243	P	28.6	Very low	30.7	Very low	103 Å²	103	120 Å²	120	67%	0.669	69%	0.691	S	S	*	*			trans	-83.6	108.1	-172.6	31.9	-33.7	0	0	0	111.6	K621	P243-K621 HydrophobicContact CG-CD 4.41Å; P243-K621 PolarHBondContact O-NZ 3.01Å
244	S	39.4	Very low	30.6	Very low	36 Å²	36	111.5 Å²	111.5	25%	0.252	68%	0.679	S	S	.	*			trans	-60.4	168.9	-172	-46	0	0	0	0	116.3	S242 K526 K621	S242-S244 PolarHBondContact O-N 3.26Å; S244-K526 WeakPolarHBondContact OG-CA 3.47Å; S244-K526 WeakPolarHBondContact OG-CB 3.17Å; S244-K526 PolarHBondContact OG-N 2.76Å; S244-K621 PolarHBondContact O-NZ 3.46Å
245	D	30.3	Very low	31.1	Very low	97 Å²	97	110 Å²	110	52%	0.519	67%	0.671	S	S	.	*			trans	90.5	102.9	174.1	-46.9	-24.8	0	0	0	114.7	K526	D245-K526 VanDerWaalsContact CG-NZ 3.3Å; D245-K526 IonicContact OD1-NZ 2.71Å; D245-K526 PolarHBondContact OD1-NZ 3.19Å; D245-K526 IonicContact OD2-NZ 3.19Å; D245-K526 PolarHBondContact OD2-NZ 3.12Å
246	S	33.2	Very low	31.6	Very low	79 Å²	79	108.6 Å²	108.6	55%	0.552	67%	0.665	S	S	*	*			trans	175	124.4	141.7	-105.8	0	0	0	0	113.9
247	D	32.1	Very low	31.9	Very low	125 Å²	125	107.2 Å²	107.2	67%	0.668	65%	0.654	S	S	*	*				56	74	127.9	-41.3	-34.9	0	0	0	121.5
248	T	35.6	Very low	32.3	Very low	83 Å²	83	109.4 Å²	109.4	51%	0.509	67%	0.665	S	S	.	*			trans	-137.5	-21.2	165.6	51.9	0	0	0	0	116.2	G250 I531	T248-G250 PolarHBondContact O-N 2.65Å; T248-I531 PolarHBondContact OG1-O 2.87Å
249	S	32.9	Very low	32.8	Very low	73 Å²	73	107.2 Å²	107.2	51%	0.51	65%	0.65	S	S	.	*			trans	-95.7	80.5	-174.2	66.2	0	0	0	0	113.1
250	G	33.5	Very low	33.3	Very low	44 Å²	44	103.1 Å²	103.1	45%	0.454	64%	0.642	S	S	.	*			trans	-124.2	-39	-171.2	0	0	0	0	0	118	T248	T248-G250 PolarHBondContact O-N 2.65Å
251	F	29.1	Very low	33.7	Very low	195 Å²	195	104.2 Å²	104.2	86%	0.855	64%	0.639	S	S	*	*			trans	-140.6	115.7	-166	-65.2	-77.8	0	0	0	114
252	S	28.5	Very low	34.5	Very low	92 Å²	92	105.3 Å²	105.3	64%	0.643	63%	0.634	S	S	*	*			trans	-159.2	141.5	153.1	-77.8	0	0	0	0	109.3	K562	S252-K562 PolarHBondContact OG-NZ 3.07Å
253	S	30.4	Very low	34.6	Very low	136 Å²	136	105.8 Å²	105.8	95%	0.951	64%	0.638	S	S	*	*	S	Bend	trans	83.2	118.3	-179.3	-149	0	0	0	0	116.5
254	G	27.4	Very low	34.9	Very low	64 Å²	64	105.7 Å²	105.7	66%	0.66	64%	0.639	S	S	*	*			trans	130.5	83.3	178.4	0	0	0	0	0	112.7
255	S	40.5	Very low	34.5	Very low	92 Å²	92	110.8 Å²	110.8	64%	0.643	66%	0.663	S	S	*	*			trans	-71.2	-179.4	156.9	55.4	0	0	0	0	109.9
256	D	38	Very low	34.6	Very low	131 Å²	131	117.6 Å²	117.6	70%	0.701	68%	0.681	S	S	*	*			trans	89.4	21.6	163.6	-39.6	-15	0	0	0	117.8
257	H	39.3	Very low	34.5	Very low	148 Å²	148	121.2 Å²	121.2	69%	0.685	69%	0.693	S	S	*	*			trans	-107.4	10.8	177.7	-72.2	-48	0	0	0	116.9
258	L	35	Very low	34.3	Very low	149 Å²	149	120.4 Å²	120.4	78%	0.78	70%	0.697	S	S	*	*	S	Bend	trans	-84.2	-20.3	173.7	-88.5	165.4	0	0	0	114
259	S	37.7	Very low	34.1	Very low	83 Å²	83	122.3 Å²	122.3	58%	0.58	71%	0.711	S	S	*	*	S	Bend	trans	-74	-37.1	-173.4	-49.1	0	0	0	0	114
260	D	38.1	Very low	34.1	Very low	111 Å²	111	124.7 Å²	124.7	59%	0.594	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-24.8	-169.4	-67.7	-28.7	0	0	0	114.1	I262	D260-I262 VanDerWaalsContact C-N 3.29Å; D260-I262 PolarHBondContact O-N 3.24Å
261	L	38.7	Very low	33.9	Very low	135 Å²	135	130.9 Å²	130.9	71%	0.707	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-22.6	-179.7	-80.4	166.3	0	0	0	113.2
262	I	44.3	Very low	34.1	Very low	142 Å²	142	126.6 Å²	126.6	73%	0.728	74%	0.738	S	S	*	*	G	3₁₀ helix	trans	-82.2	-23.5	-178.4	-61.6	-179.7	0	0	0	111.7	D260 S264	D260-I262 VanDerWaalsContact C-N 3.29Å; D260-I262 PolarHBondContact O-N 3.24Å; I262-S264 VanDerWaalsContact C-N 3.31Å; I262-S264 PolarHBondContact O-N 3.48Å
263	S	34.3	Very low	34	Very low	104 Å²	104	131.1 Å²	131.1	73%	0.727	75%	0.747	S	S	*	*	G	3₁₀ helix	trans	-79.7	-5.6	-177.4	-64.7	0	0	0	0	115.1
264	S	35	Very low	33.9	Very low	100 Å²	100	132.5 Å²	132.5	70%	0.699	74%	0.742	S	S	*	*	G	3₁₀ helix	trans	-103.1	-1.8	-169	-63.1	0	0	0	0	115.6	I262 R266	I262-S264 VanDerWaalsContact C-N 3.31Å; I262-S264 PolarHBondContact O-N 3.48Å; S264-R266 PolarHBondContact O-N 3.01Å
265	L	31.7	Very low	33.9	Very low	143 Å²	143	134.2 Å²	134.2	75%	0.749	74%	0.744	S	S	*	*			trans	-97	84.2	179.5	-77.6	167.4	0	0	0	112.1
266	R	32.2	Very low	33.3	Very low	240 Å²	240	137.6 Å²	137.6	91%	0.906	75%	0.754	S	S	*	*			trans	-113.3	112.7	157.8	-71.2	-171.9	-177.6	165.6	2.7	109.4	S264	S264-R266 PolarHBondContact O-N 3.01Å
267	I	29.8	Very low	32.8	Very low	155 Å²	155	137.2 Å²	137.2	80%	0.795	76%	0.762	S	S	*	*			trans	-96.3	128.7	176.9	-59.9	172.2	0	0	0	108.3
268	S	28.5	Very low	32.1	Very low	109 Å²	109	133.9 Å²	133.9	76%	0.762	77%	0.767	S	S	*	*			trans	-131.7	137.1	167.1	-66.1	0	0	0	0	109.1
269	P	30.6	Very low	31.7	Very low	123 Å²	123	130.5 Å²	130.5	80%	0.799	77%	0.769	S	S	*	*			trans	-83.7	159.5	-171.5	33.7	-36	0	0	0	113.4
270	P	34.3	Very low	31.2	Very low	123 Å²	123	130.3 Å²	130.3	80%	0.799	78%	0.78	S	S	*	*			trans	-92.2	157.5	-175.6	36.5	-35.4	0	0	0	114.2
271	L	28.2	Very low	31.5	Very low	174 Å²	174	131.5 Å²	131.5	91%	0.911	79%	0.794	S	S	*	*			trans	-132.5	158.5	161.9	-74.6	178.1	0	0	0	110.5
272	P	34	Very low	31.2	Very low	105 Å²	105	136.2 Å²	136.2	68%	0.682	80%	0.802	S	S	*	*			trans	-122.6	171.3	-152.9	42	-29.9	0	0	0	116.9
273	F	27.1	Very low	30.3	Very low	187 Å²	187	137.1 Å²	137.1	82%	0.82	81%	0.808	S	S	*	*			trans	72	113.4	151.1	-105	-79.2	0	0	0	120.6
274	L	28.1	Very low	30.7	Very low	164 Å²	164	136.8 Å²	136.8	86%	0.859	80%	0.804	S	S	*	*				170.6	168.5	107.9	-92.7	168.5	0	0	0	113.9
275	S	27	Very low	30.5	Very low	101 Å²	101	139.7 Å²	139.7	71%	0.706	81%	0.811	S	S	*	*			trans	-112.6	177.5	-165.6	-50.9	0	0	0	0	114.6
276	L	28.2	Very low	30.4	Very low	163 Å²	163	142.3 Å²	142.3	85%	0.853	82%	0.816	S	S	*	*			trans	105.8	116.3	155.3	-98.3	76	0	0	0	121.4
277	S	26.1	Very low	30.1	Very low	122 Å²	122	139.3 Å²	139.3	85%	0.853	81%	0.814	S	S	*	*				73.3	137.9	120.6	-157	0	0	0	0	123.7
278	G	25.6	Very low	30	Very low	78 Å²	78	135 Å²	135	80%	0.804	81%	0.808	S	S	*	*			trans	113.8	127.3	160	0	0	0	0	0	114.3
279	G	27	Very low	30	Very low	79 Å²	79	137.5 Å²	137.5	81%	0.814	82%	0.818	S	S	*	*			cis	-163.3	177.9	-1.9	0	0	0	0	0	111.3
280	G	27.6	Very low	29.8	Very low	78 Å²	78	134.5 Å²	134.5	80%	0.804	81%	0.809	S	S	*	*			trans	-79.2	-156.7	-176.3	0	0	0	0	0	115.4
281	P	42.8	Very low	29.5	Very low	137 Å²	137	134.3 Å²	134.3	89%	0.89	81%	0.811	S	S	*	*			cis	-131.4	-174.8	41.5	36.9	-18.3	0	0	0	116.4
282	R	32	Very low	29.6	Very low	233 Å²	233	137.3 Å²	137.3	88%	0.879	81%	0.81	S	S	*	*			trans	-101.7	170.7	-177	-66.4	168.3	153.2	175.7	-8.1	111.7
283	D	26	Very low	29.3	Very low	161 Å²	161	139.8 Å²	139.8	86%	0.861	81%	0.814	S	S	*	*			trans	-153.6	162	131.9	-106.5	-10.6	0	0	0	111.8
284	P	43.6	Very low	29.4	Very low	97 Å²	97	136.6 Å²	136.6	63%	0.63	81%	0.806	S	S	*	*			trans	-136.6	-156.2	-146.5	39.3	-17.2	0	0	0	115.7
285	L	30.1	Very low	29.4	Very low	162 Å²	162	135.5 Å²	135.5	85%	0.848	80%	0.797	S	S	*	*			trans	89.1	121.7	171.2	-46.3	179.5	0	0	0	114.8
286	K	29.4	Very low	29.5	Very low	197 Å²	197	137.3 Å²	137.3	86%	0.857	79%	0.794	S	S	*	*				-162.4	167.9	64.7	-146.3	169	-176.2	175.1	0	113.9
287	M	26.5	Very low	29.6	Very low	178 Å²	178	137.6 Å²	137.6	88%	0.877	79%	0.791	S	S	*	*			trans	-46.5	159.5	172.2	-72	74.3	173.8	0	0	115
288	G	27	Very low	29.7	Very low	64 Å²	64	136.3 Å²	136.3	66%	0.66	79%	0.788	S	S	*	*			cis	150.1	164.8	0.4	0	0	0	0	0	112.1
289	V	28.9	Very low	29.8	Very low	162 Å²	162	136.9 Å²	136.9	98%	0.982	78%	0.784	S	S	*	*			trans	67.2	129.2	175.3	-166.2	0	0	0	0	115.6
290	G	26.1	Very low	29.9	Very low	59 Å²	59	141.3 Å²	141.3	61%	0.608	79%	0.789	S	S	*	*			cis	170.3	175.8	-7.9	0	0	0	0	0	113.9
291	S	28.7	Very low	29.9	Very low	119 Å²	119	141.9 Å²	141.9	83%	0.832	79%	0.786	S	S	*	*			trans	93.5	125.3	164.7	79.5	0	0	0	0	121.3
292	R	29.5	Very low	29.1	Very low	238 Å²	238	139.8 Å²	139.8	90%	0.898	78%	0.78	S	S	*	*			trans	65	116.4	154.7	-75.3	-177.1	171.6	-142.4	-4.9	118.2
293	M	28.1	Very low	28.8	Very low	156 Å²	156	135.4 Å²	135.4	77%	0.768	78%	0.779	S	S	*	*			cis	52.9	128.1	32.8	-65.9	176.4	86.8	0	0	112.8
294	D	29.1	Very low	28.9	Very low	121 Å²	121	133.8 Å²	133.8	65%	0.647	78%	0.775	S	S	*	*			cis	-164.5	147.1	11.9	-114	-1.7	0	0	0	108.3
295	Q	28.8	Very low	28.8	Very low	140 Å²	140	134.1 Å²	134.1	65%	0.654	78%	0.777	S	S	*	*				79.8	136	77.4	-174.7	76.5	11.7	0	0	113.4
296	E	28.8	Very low	28.5	Very low	140 Å²	140	131.5 Å²	131.5	65%	0.654	77%	0.772	S	S	*	*			trans	72.3	154.6	157.9	-82.7	162.5	-158.5	0	0	121.3
297	Q	29.1	Very low	28.9	Very low	169 Å²	169	127.6 Å²	127.6	79%	0.79	77%	0.767	S	S	*	*			cis	-158.7	178.7	-23.7	-133.8	167.9	31	0	0	111.2
298	A	29.4	Very low	29	Very low	95 Å²	95	125.4 Å²	125.4	79%	0.785	76%	0.764	S	S	*	*			trans	-55	160.1	-171.9	0	0	0	0	0	120.1
299	A	27.9	Very low	28.9	Very low	89 Å²	89	127.7 Å²	127.7	74%	0.736	77%	0.77	S	S	*	*				158.2	135.7	112.3	0	0	0	0	0	117.3
300	L	27.4	Very low	28.7	Very low	172 Å²	172	124.3 Å²	124.3	90%	0.901	76%	0.759	S	S	*	*			trans	74.1	130.1	144.5	-65.7	167.9	0	0	0	125.3
301	A	27.6	Very low	28.8	Very low	90 Å²	90	127.1 Å²	127.1	74%	0.744	77%	0.769	S	S	*	*			trans	81.5	106.9	133.5	0	0	0	0	0	125.1
302	A	26.3	Very low	28.8	Very low	94 Å²	94	131 Å²	131	78%	0.777	77%	0.771	S	S	*	*				80.8	149.6	120.6	0	0	0	0	0	124.9
303	V	26.6	Very low	28.6	Very low	141 Å²	141	131.5 Å²	131.5	86%	0.855	77%	0.773	S	S	*	*			trans	84.6	137.1	160	-158.6	0	0	0	0	119.6
304	T	27.1	Very low	28.6	Very low	127 Å²	127	135.7 Å²	135.7	78%	0.779	78%	0.78	S	S	*	*			trans	-103.5	-166.2	180	51.6	0	0	0	0	110.6
305	P	41.8	Very low	28.6	Very low	104 Å²	104	135.7 Å²	135.7	68%	0.675	79%	0.787	S	S	*	*			cis	-141.6	173.7	-2.3	42.7	-24	0	0	0	118.6
306	S	24.4	Very low	28.5	Very low	106 Å²	106	133 Å²	133	74%	0.741	80%	0.797	S	S	*	*			trans	69.6	163.3	148.4	74	0	0	0	0	119.4
307	P	37.9	Very low	28.3	Very low	115 Å²	115	130.6 Å²	130.6	75%	0.747	80%	0.801	S	S	*	*			cis	-113.6	-159.4	2.7	31.2	-8.7	0	0	0	112
308	T	27.7	Very low	28.2	Very low	132 Å²	132	127.9 Å²	127.9	81%	0.81	80%	0.801	S	S	*	*			cis	-155.1	159.4	13.2	-31.5	0	0	0	0	112.5
309	S	26.1	Very low	28.1	Very low	112 Å²	112	129.9 Å²	129.9	78%	0.783	80%	0.803	S	S	*	*			trans	-70.9	169.8	163.7	-80.9	0	0	0	0	114
310	A	24.9	Very low	28.4	Very low	92 Å²	92	134.9 Å²	134.9	76%	0.76	80%	0.803	S	S	*	*			cis	178.2	148.6	-26.1	0	0	0	0	0	109
311	S	26.9	Very low	28.6	Very low	117 Å²	117	131.4 Å²	131.4	82%	0.818	79%	0.791	S	S	*	*			trans	-158.1	91.5	152	-163.2	0	0	0	0	114.7
312	K	30.1	Very low	28.5	Very low	202 Å²	202	131.8 Å²	131.8	88%	0.878	79%	0.788	S	S	*	*			trans	24.6	114.7	139.6	-57.2	177.1	-177.8	178.5	0	119.3
313	R	23.9	Very low	29	Very low	247 Å²	247	138.3 Å²	138.3	93%	0.932	79%	0.793	S	S	*	*			trans	-136.3	145.9	140.7	-155	173.3	-160.7	175.7	6.4	109.8
314	W	28.4	Very low	29.4	Very low	244 Å²	244	138.4 Å²	138.4	92%	0.924	79%	0.789	S	S	*	*			trans	-72.7	149.4	-171.3	-73.3	82.6	0	0	0	113.7
315	P	29	Very low	30	Very low	121 Å²	121	140.4 Å²	140.4	79%	0.786	79%	0.793	S	S	*	*			trans	-88.3	155.5	173.5	36.6	-34	0	0	0	111.9
316	G	26.5	Very low	29.6	Very low	83 Å²	83	143.6 Å²	143.6	86%	0.856	80%	0.804	S	S	*	*			trans	147.1	47.4	167	0	0	0	0	0	118.2
317	A	26.3	Very low	30.3	Very low	91 Å²	91	147 Å²	147	75%	0.752	81%	0.808	S	S	*	*			trans	-137.5	111.4	158.1	0	0	0	0	0	108.3	V319	A317-V319 PolarHBondContact O-N 2.85Å; A317-V319 VanDerWaalsContact O-N 3.09Å
318	S	26	Very low	30.1	Very low	112 Å²	112	145 Å²	145	78%	0.783	80%	0.802	S	S	*	*			trans	-66.3	106.5	178.3	26	0	0	0	0	109.8	W320	S318-W320 PolarHBondContact O-N 2.9Å
319	V	27.5	Very low	30.6	Very low	137 Å²	137	144.9 Å²	144.9	83%	0.83	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-64.3	119.8	172.4	176.1	0	0	0	0	108.3	A317	A317-V319 PolarHBondContact O-N 2.85Å; A317-V319 VanDerWaalsContact O-N 3.09Å
320	W	33.4	Very low	31.5	Very low	194 Å²	194	147.3 Å²	147.3	74%	0.735	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-65	136.4	171.1	-67	77.1	0	0	0	109	S318 S322	S318-W320 PolarHBondContact O-N 2.9Å; W320-S322 PolarHBondContact O-N 2.84Å
321	P	31.8	Very low	32.7	Very low	98 Å²	98	146.1 Å²	146.1	64%	0.636	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-60.3	126	177.5	-23.5	34.1	0	0	0	111.2
322	S	24.9	Very low	33.8	Very low	99 Å²	99	144.5 Å²	144.5	69%	0.692	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-61.5	133.4	166.3	-179.8	0	0	0	0	109.4	W320	W320-S322 PolarHBondContact O-N 2.84Å
323	W	38.2	Very low	35.1	Very low	230 Å²	230	141.9 Å²	141.9	87%	0.871	76%	0.756	S	S	*	*			trans	-104	21.3	179.6	-84	107.3	0	0	0	113.5
324	D	35.4	Very low	37.8	Very low	144 Å²	144	131 Å²	131	77%	0.77	72%	0.718	S	S	*	*			trans	-107.6	79.6	174.9	-73.2	-52.2	0	0	0	111.9
325	L	39.2	Very low	40.6	Very low	168 Å²	168	119.5 Å²	119.5	88%	0.88	67%	0.674	S	S	*	*	S	Bend	trans	168.7	84.1	142.8	-95.4	159.4	0	0	0	111.1
326	L	33.3	Very low	43.4	Very low	171 Å²	171	116.1 Å²	116.1	90%	0.895	65%	0.648	S	S	*	*			trans	-178.7	120.9	147.2	-99.3	157.2	0	0	0	105.8	A328	L326-A328 VanDerWaalsContact C-N 3.26Å; L326-A328 PolarHBondContact O-N 2.92Å
327	E	38	Very low	46.3	Very low	177 Å²	177	116.7 Å²	116.7	83%	0.827	62%	0.624	S	S	*	*			trans	-66.2	92.8	168.4	-82.1	-152.1	131.9	0	0	108.2	K330	E327-K330 IonicContact OE1-NZ 3.88Å
328	A	34.6	Very low	49.2	Very low	75 Å²	75	115.9 Å²	115.9	62%	0.62	61%	0.605	S	S	*	*			trans	-57.4	146	166	0	0	0	0	0	109	L326 K330	L326-A328 VanDerWaalsContact C-N 3.26Å; L326-A328 PolarHBondContact O-N 2.92Å; A328-K330 PolarHBondContact O-N 2.94Å
329	P	39.3	Very low	52.1	Low	128 Å²	128	110.6 Å²	110.6	83%	0.831	57%	0.568	S	S	*	*			trans	-52.6	128.1	176.2	-22.2	31.8	0	0	0	109.4	D331	P329-D331 VanDerWaalsContact C-N 3.29Å; P329-D331 PolarHBondContact O-N 2.85Å
330	K	44.7	Very low	54.9	Low	163 Å²	163	110.7 Å²	110.7	71%	0.709	55%	0.554	S	S	*	*			trans	-62	87.8	-177.1	-84.7	172.1	176.6	135.6	0	110.8	E327 A328 P332 R337	E327-K330 IonicContact OE1-NZ 3.88Å; A328-K330 PolarHBondContact O-N 2.94Å; K330-P332 WeakPolarHBondContact O-CD 3.47Å; K330-P332 VanDerWaalsContact O-N 3.11Å; K330-R337 PolarHBondContact O-NH2 3.29Å
331	D	49.3	Very low	57.4	Low	68 Å²	68	106.6 Å²	106.6	36%	0.364	55%	0.546	S	S	.	.			trans	-45.2	116.9	175	178.7	4.2	0	0	0	109.5	P329 F333 S334 R337	P329-D331 VanDerWaalsContact C-N 3.29Å; P329-D331 PolarHBondContact O-N 2.85Å; D331-F333 PolarHBondContact O-N 3.08Å; D331-F333 VanDerWaalsContact O-N 3.12Å; D331-F333 PolarHBondContact OD1-N 2.85Å; D331-S334 PolarHBondContact O-N 2.92Å; D331-R337 PolarHBondContact O-NH2 2.96Å
332	P	49.5	Very low	60	Low	83 Å²	83	103.1 Å²	103.1	54%	0.539	52%	0.521	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.7	178	-26.7	36	0	0	0	113.3	K330	K330-P332 WeakPolarHBondContact O-CD 3.47Å; K330-P332 VanDerWaalsContact O-N 3.11Å
333	F	57.1	Low	62.9	Low	147 Å²	147	103.3 Å²	103.3	65%	0.645	51%	0.506	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.3	30.2	-171.5	-57.1	-79.9	0	0	0	113.9	D331 I335	D331-F333 PolarHBondContact O-N 3.08Å; D331-F333 VanDerWaalsContact O-N 3.12Å; D331-F333 PolarHBondContact OD1-N 2.85Å; F333-I335 PolarHBondContact O-N 3.32Å
334	S	82.6	Confident	65	Low	18 Å²	18	98.6 Å²	98.6	13%	0.126	49%	0.494	C	S	.	.			trans	-62.9	122.2	171.8	150.3	0	0	0	0	110.9	D331 E336 R337 E338	D331-S334 PolarHBondContact O-N 2.92Å; S334-E336 PolarHBondContact O-N 3.44Å; S334-E336 VanDerWaalsContact O-N 3.13Å; S334-E336 PolarHBondContact OG-N 3.45Å; S334-E336 PolarHBondContact OG-OE2 3.36Å; S334-R337 WeakPolarHBondContact O-CA 3.37Å; S334-R337 WeakPolarHBondContact O-CB 3.21Å; S334-R337 PolarHBondContact O-N 2.93Å; S334-R337 PolarHBondContact OG-N 2.96Å; S334-E338 PolarHBondContact O-N 3.39Å
335	I	86.9	Confident	67.3	Low	2 Å²	2	92.1 Å²	92.1	1%	0.01	46%	0.46	C	S	.	.	H	α-helix	trans	-51.8	-36.8	176.9	-48.9	169.3	0	0	0	111.3	F333 R337 E338 A339 F585 R598 W601 P615	F333-I335 PolarHBondContact O-N 3.32Å; I335-R337 VanDerWaalsContact C-N 3.3Å; I335-R337 PolarHBondContact O-N 3.02Å; I335-E338 PolarHBondContact O-N 2.9Å; I335-A339 WeakPolarHBondContact O-CB 3.33Å; I335-A339 PolarHBondContact O-N 2.88Å; I335-F585 HydrophobicContact CB-CD1 4.12Å; I335-F585 HydrophobicContact CB-CE1 3.79Å; I335-F585 HydrophobicContact CB-CZ 4.29Å; I335-F585 HydrophobicContact CD1-CE2 4.3Å; I335-F585 HydrophobicContact CD1-CZ 4.29Å; I335-F585 HydrophobicContact CG2-CD1 3.33Å; I335-F585 HydrophobicContact CG2-CE1 3.54Å; I335-F585 HydrophobicContact CG2-CG 3.94Å; I335-F585 HydrophobicContact CG2-CZ 4.33Å; I335-R598 HydrophobicContact CD1-CG 4.04Å; I335-W601 HydrophobicContact CD1-CB 3.89Å; I335-W601 HydrophobicContact CD1-CG 3.66Å; I335-W601 HydrophobicContact CG1-CG 4.41Å; I335-W601 HydrophobicContact CG2-CD2 4.33Å; I335-W601 HydrophobicContact CG2-CG 4.44Å; I335-P615 HydrophobicContact CG2-CB 3.41Å; I335-P615 VanDerWaalsContact CG2-CB 3.41Å; I335-P615 HydrophobicContact CG2-CG 3.63Å
336	E	88.1	Confident	69.3	Low	50 Å²	50	84.8 Å²	84.8	23%	0.234	42%	0.424	C	S	.	.	H	α-helix	trans	-66.4	-29.1	176.3	-57.2	78.8	-175.1	0	0	112.8	S334 R340 F585 R598 M617	S334-E336 PolarHBondContact O-N 3.44Å; S334-E336 VanDerWaalsContact O-N 3.13Å; S334-E336 PolarHBondContact OG-N 3.45Å; S334-E336 PolarHBondContact OG-OE2 3.36Å; E336-R340 WeakPolarHBondContact O-CB 3.35Å; E336-R340 VanDerWaalsContact O-CG 3.28Å; E336-R340 WeakPolarHBondContact O-CG 3.45Å; E336-R340 PolarHBondContact O-N 2.99Å; E336-R340 VanDerWaalsContact O-N 3.15Å; E336-R340 PolarHBondContact O-NE 2.98Å; E336-R340 PolarHBondContact O-NH2 2.91Å; E336-F585 HydrophobicContact CG-CE1 4.17Å; E336-F585 HydrophobicContact CG-CZ 4.47Å; E336-F585 WeakPolarHBondContact OE1-CZ 3.46Å; E336-R598 IonicContact OE1-CZ 2.67Å; E336-R598 IonicContact OE1-NH1 2.76Å; E336-R598 PolarHBondContact OE1-NH1 2.9Å; E336-R598 IonicContact OE2-CZ 3.89Å; E336-R598 IonicContact OE2-NH1 2.64Å; E336-R598 PolarHBondContact OE2-NH1 3.16Å; E336-M617 HydrophobicContact CB-SD 4.28Å; E336-M617 HydrophobicContact CG-CE 4.2Å; E336-M617 HydrophobicContact CG-SD 4.05Å
337	R	86.4	Confident	71.6	Confident	95 Å²	95	81 Å²	81	36%	0.358	42%	0.417	S	S	.	.	H	α-helix	trans	-68.1	-49.9	173.5	-170.4	-169	-62	-155.7	2.2	110	K330 D331 S334 I335 A339 R340 L341	K330-R337 PolarHBondContact O-NH2 3.29Å; D331-R337 PolarHBondContact O-NH2 2.96Å; S334-R337 WeakPolarHBondContact O-CA 3.37Å; S334-R337 WeakPolarHBondContact O-CB 3.21Å; S334-R337 PolarHBondContact O-N 2.93Å; S334-R337 PolarHBondContact OG-N 2.96Å; I335-R337 VanDerWaalsContact C-N 3.3Å; I335-R337 PolarHBondContact O-N 3.02Å; R337-A339 PolarHBondContact O-N 3.35Å; R337-R340 WeakPolarHBondContact O-CB 3.37Å; R337-R340 PolarHBondContact O-N 2.84Å; R337-R340 VanDerWaalsContact O-N 3.14Å; R337-L341 HydrophobicContact CG-CD1 4.32Å; R337-L341 WeakPolarHBondContact O-CG 3.38Å; R337-L341 PolarHBondContact O-N 3.16Å
338	E	87.6	Confident	73.8	Confident	74 Å²	74	78.4 Å²	78.4	35%	0.346	41%	0.413	S	S	.	.	H	α-helix	trans	-59	-48.5	177.5	-67.6	171.5	-179.7	0	0	111.2	S334 I335 R340 L341 H342 P615	S334-E338 PolarHBondContact O-N 3.39Å; I335-E338 PolarHBondContact O-N 2.9Å; E338-R340 PolarHBondContact O-N 2.96Å; E338-L341 PolarHBondContact O-N 3.12Å; E338-L341 VanDerWaalsContact O-N 3.09Å; E338-H342 PolarHBondContact O-N 3.19Å; E338-P615 HydrophobicContact CB-CG 3.61Å
339	A	86.7	Confident	76.4	Confident	2 Å²	2	78 Å²	78	2%	0.017	40%	0.401	C	S	.	.	H	α-helix	trans	-64.4	-23.6	177.2	0	0	0	0	0	114.1	I335 R337 P615 M617	I335-A339 WeakPolarHBondContact O-CB 3.33Å; I335-A339 PolarHBondContact O-N 2.88Å; R337-A339 PolarHBondContact O-N 3.35Å; A339-P615 VanDerWaalsContact CA-O 3.32Å; A339-P615 WeakPolarHBondContact CA-O 3.45Å; A339-P615 HydrophobicContact CB-CB 4.41Å; A339-P615 HydrophobicContact CB-CG 4.37Å; A339-P615 WeakPolarHBondContact CB-O 3.3Å; A339-M617 HydrophobicContact CB-CB 3.89Å; A339-M617 HydrophobicContact CB-CG 3.5Å; A339-M617 VanDerWaalsContact CB-CG 3.5Å; A339-M617 HydrophobicContact CB-SD 3.66Å
340	R	85.8	Confident	78.8	Confident	138 Å²	138	78.8 Å²	78.8	52%	0.521	39%	0.393	S	S	.	.	H	α-helix	trans	-77.5	-43.1	170.3	-82.3	174.1	-69	-152.1	-0.9	111.7	E336 R337 E338 H342 R343	E336-R340 WeakPolarHBondContact O-CB 3.35Å; E336-R340 VanDerWaalsContact O-CG 3.28Å; E336-R340 WeakPolarHBondContact O-CG 3.45Å; E336-R340 PolarHBondContact O-N 2.99Å; E336-R340 VanDerWaalsContact O-N 3.15Å; E336-R340 PolarHBondContact O-NE 2.98Å; E336-R340 PolarHBondContact O-NH2 2.91Å; R337-R340 WeakPolarHBondContact O-CB 3.37Å; R337-R340 PolarHBondContact O-N 2.84Å; R337-R340 VanDerWaalsContact O-N 3.14Å; E338-R340 PolarHBondContact O-N 2.96Å; R340-H342 VanDerWaalsContact C-N 3.3Å; R340-H342 PolarHBondContact O-N 2.99Å; R340-R343 WeakPolarHBondContact O-CB 3.45Å; R340-R343 PolarHBondContact O-N 2.83Å
341	L	85.8	Confident	81	Confident	108 Å²	108	72.3 Å²	72.3	57%	0.565	37%	0.37	S	S	*	.	H	α-helix	trans	-62.6	-37.5	176.8	-68.9	171.3	0	0	0	111.4	R337 E338 R343 Q344 A345	R337-L341 HydrophobicContact CG-CD1 4.32Å; R337-L341 WeakPolarHBondContact O-CG 3.38Å; R337-L341 PolarHBondContact O-N 3.16Å; E338-L341 PolarHBondContact O-N 3.12Å; E338-L341 VanDerWaalsContact O-N 3.09Å; L341-R343 PolarHBondContact O-N 2.96Å; L341-R343 VanDerWaalsContact O-N 3.09Å; L341-Q344 PolarHBondContact O-N 2.74Å; L341-A345 PolarHBondContact O-N 3.43Å
342	H	87.6	Confident	83.1	Confident	26 Å²	26	73.8 Å²	73.8	12%	0.12	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-56.6	-26.1	175.4	-171	77.3	0	0	0	113.8	E338 R340 Q344 A345 Q565 D567 R588 L616	E338-H342 PolarHBondContact O-N 3.19Å; R340-H342 VanDerWaalsContact C-N 3.3Å; R340-H342 PolarHBondContact O-N 2.99Å; H342-Q344 PolarHBondContact O-N 3.17Å; H342-A345 WeakPolarHBondContact O-CB 3.32Å; H342-A345 PolarHBondContact O-N 3Å; H342-Q565 PolarHBondContact CD2-NE2 3.05Å; H342-Q565 VanDerWaalsContact CD2-NE2 3.31Å; H342-Q565 PolarHBondContact NE2-NE2 3.28Å; H342-Q565 VanDerWaalsContact NE2-NE2 3.15Å; H342-Q565 PolarHBondContact O-NE2 3.15Å; H342-Q565 PolarHBondContact O-OE1 3.33Å; H342-D567 IonicContact CD2-OD1 3.94Å; H342-D567 IonicContact CD2-OD2 3.93Å; H342-D567 IonicContact CE1-OD1 2.72Å; H342-D567 IonicContact NE2-OD1 3.96Å; H342-D567 PolarHBondContact NE2-OD1 3.28Å; H342-D567 IonicContact NE2-OD2 3.96Å; H342-R588 PolarHBondContact CE1-NH1 3.45Å; H342-R588 VanDerWaalsContact CE1-NH1 3.32Å; H342-R588 PolarHBondContact NE2-NH1 3.33Å; H342-L616 HydrophobicContact CB-CD2 4.5Å; H342-L616 WeakPolarHBondContact CD2-CD2 3.46Å; H342-L616 VanDerWaalsContact NE2-CD2 3.33Å; H342-L616 WeakPolarHBondContact NE2-CD2 3.46Å
343	R	84.8	Confident	85.2	Confident	103 Å²	103	71.4 Å²	71.4	39%	0.389	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-72.7	-16.5	177.2	-60.3	175.3	-172.9	149.8	2	113.5	R340 L341 M617 R618 N619	R340-R343 WeakPolarHBondContact O-CB 3.45Å; R340-R343 PolarHBondContact O-N 2.83Å; L341-R343 PolarHBondContact O-N 2.96Å; L341-R343 VanDerWaalsContact O-N 3.09Å; R343-M617 PolarHBondContact NH2-O 2.88Å; R343-R618 PolarHBondContact NH2-O 3.4Å; R343-N619 PolarHBondContact NE-OD1 3.33Å; R343-N619 PolarHBondContact NH1-OD1 2.9Å; R343-N619 PolarHBondContact NH2-OD1 2.82Å
344	Q	82.9	Confident	87.1	Confident	131 Å²	131	67.6 Å²	67.6	61%	0.612	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-103	1.8	176.3	-60	-179	2.4	0	0	111.8	L341 H342 A346 A347	L341-Q344 PolarHBondContact O-N 2.74Å; H342-Q344 PolarHBondContact O-N 3.17Å; Q344-A346 PolarHBondContact O-N 3Å; Q344-A346 VanDerWaalsContact O-N 3.17Å; Q344-A347 WeakPolarHBondContact O-CB 3.41Å; Q344-A347 PolarHBondContact O-N 3.08Å
345	A	84.2	Confident	87.8	Confident	7 Å²	7	67.9 Å²	67.9	6%	0.058	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-58.3	-33.7	-172.2	0	0	0	0	0	113.3	L341 H342 A347 V348 N349 F552	L341-A345 PolarHBondContact O-N 3.43Å; H342-A345 WeakPolarHBondContact O-CB 3.32Å; H342-A345 PolarHBondContact O-N 3Å; A345-A347 PolarHBondContact O-N 3.02Å; A345-V348 PolarHBondContact O-N 3.46Å; A345-N349 WeakPolarHBondContact CB-ND2 3.47Å; A345-N349 WeakPolarHBondContact O-CB 3.15Å; A345-N349 PolarHBondContact O-N 2.71Å; A345-N349 PolarHBondContact O-ND2 2.54Å; A345-F552 HydrophobicContact CB-CE1 3.92Å; A345-F552 HydrophobicContact CB-CZ 3.61Å
346	A	80.9	Confident	88.3	Confident	15 Å²	15	72.1 Å²	72.1	12%	0.124	38%	0.384	C	S	.	.	G	3₁₀ helix	trans	-54.5	-23.8	175.6	0	0	0	0	0	115.2	Q344 A496 F552 Q565	Q344-A346 PolarHBondContact O-N 3Å; Q344-A346 VanDerWaalsContact O-N 3.17Å; A346-A496 HydrophobicContact CB-CB 4.09Å; A346-F552 HydrophobicContact CB-CD1 4.42Å; A346-F552 HydrophobicContact CB-CE1 4.37Å; A346-Q565 HydrophobicContact CB-CB 4.05Å
347	A	81.8	Confident	88.5	Confident	91 Å²	91	71.1 Å²	71.1	75%	0.752	39%	0.387	S	S	*	.	G	3₁₀ helix	trans	-85.2	-17.5	-179.4	0	0	0	0	0	113.9	Q344 A345	Q344-A347 WeakPolarHBondContact O-CB 3.41Å; Q344-A347 PolarHBondContact O-N 3.08Å; A345-A347 PolarHBondContact O-N 3.02Å
348	V	84.1	Confident	88.6	Confident	122 Å²	122	73.8 Å²	73.8	74%	0.739	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.5	-15.9	-171.6	-60.7	0	0	0	0	114.3	A345	A345-V348 PolarHBondContact O-N 3.46Å
349	N	88.3	Confident	88.6	Confident	66 Å²	66	72.4 Å²	72.4	35%	0.353	40%	0.399	S	S	.	.	S	Bend	trans	-92.6	153.6	178.3	-74.5	-96.5	0	0	0	111.6	A345 F552 K563	A345-N349 WeakPolarHBondContact CB-ND2 3.47Å; A345-N349 WeakPolarHBondContact O-CB 3.15Å; A345-N349 PolarHBondContact O-N 2.71Å; A345-N349 PolarHBondContact O-ND2 2.54Å; N349-F552 HydrophobicContact CB-CD1 4.45Å; N349-F552 HydrophobicContact CB-CD2 3.62Å; N349-F552 HydrophobicContact CB-CE1 4.23Å; N349-F552 HydrophobicContact CB-CE2 3.36Å; N349-F552 HydrophobicContact CB-CG 4.18Å; N349-F552 HydrophobicContact CB-CZ 3.71Å; N349-K563 WeakPolarHBondContact O-CD 3.35Å; N349-K563 PolarHBondContact O-NZ 3.12Å
350	E	89.9	Confident	88.6	Confident	146 Å²	146	74.1 Å²	74.1	68%	0.682	41%	0.409	S	S	*	.	P	Polyproline II helix	trans	-81.5	151.9	173.6	-75.1	-48.3	137.7	0	0	114.6	F552 K563	E350-F552 WeakPolarHBondContact O-CB 3.32Å; E350-K563 VanDerWaalsContact CD-NZ 3.34Å; E350-K563 IonicContact OE1-NZ 3.58Å; E350-K563 PolarHBondContact OE1-NZ 3.44Å; E350-K563 IonicContact OE2-NZ 3.17Å; E350-K563 PolarHBondContact OE2-NZ 3.05Å
351	A	90.9	Very high	88.4	Confident	27 Å²	27	72 Å²	72	22%	0.223	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-77.1	126.1	178.4	0	0	0	0	0	110.2	C353 F552 E554 K563	A351-C353 VanDerWaalsContact C-N 3.32Å; A351-F552 WeakPolarHBondContact CA-O 3.41Å; A351-E554 HydrophobicContact CB-CB 3.66Å; A351-K563 HydrophobicContact CB-CD 4.19Å; A351-K563 HydrophobicContact CB-CG 4.25Å
352	T	92.8	Very high	88.3	Confident	98 Å²	98	68.9 Å²	68.9	60%	0.601	39%	0.394	S	S	*	.	S	Bend	trans	-78.4	-21.6	177.4	-49.3	0	0	0	0	111.7	A550 F552	T352-A550 WeakPolarHBondContact CB-O 3.43Å; T352-A550 PolarHBondContact OG1-O 3.39Å; T352-F552 PolarHBondContact N-O 2.88Å
353	C	94.1	Very high	87.9	Confident	34 Å²	34	74.4 Å²	74.4	23%	0.23	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	158.5	168.6	60.6	0	0	0	0	112	A351 V553 E554	A351-C353 VanDerWaalsContact C-N 3.32Å; C353-V553 WeakPolarHBondContact O-CA 3.28Å; C353-E554 PolarHBondContact O-N 3.4Å
354	T	97	Very high	87.8	Confident	66 Å²	66	73.3 Å²	73.3	41%	0.405	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	134.8	179.8	-56.2	0	0	0	0	109.2	E554 K556	T354-E554 CarbonylContact C-O 3.45Å; T354-E554 VanDerWaalsContact CA-O 3.28Å; T354-E554 WeakPolarHBondContact CA-O 3.43Å; T354-E554 HydrophobicContact CG2-CB 4.16Å; T354-E554 HydrophobicContact CG2-CG 4.36Å; T354-E554 WeakPolarHBondContact CG2-OE2 3.34Å; T354-E554 PolarHBondContact OG1-OE2 2.67Å; T354-K556 HydrophobicContact CG2-CD 3.79Å; T354-K556 HydrophobicContact CG2-CG 4.15Å
355	W	97.6	Very high	87.6	Confident	24 Å²	24	76.9 Å²	76.9	9%	0.091	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	138.3	164.1	179.5	99.7	0	0	0	108.5	L359 I509 D512 L513 E554 I555 K556 T557	W355-L359 HydrophobicContact CH2-CD2 4.02Å; W355-L359 HydrophobicContact CZ3-CD2 4.1Å; W355-I509 HydrophobicContact CB-CG2 4.06Å; W355-I509 HydrophobicContact CD2-CB 4.34Å; W355-I509 HydrophobicContact CD2-CG1 3.78Å; W355-I509 HydrophobicContact CD2-CG2 4.11Å; W355-I509 HydrophobicContact CE3-CD1 4.24Å; W355-I509 HydrophobicContact CE3-CG1 3.9Å; W355-I509 HydrophobicContact CG-CB 4.47Å; W355-I509 HydrophobicContact CG-CG1 4.42Å; W355-I509 HydrophobicContact CG-CG2 3.89Å; W355-I509 HydrophobicContact CH2-CD1 4.45Å; W355-I509 HydrophobicContact CH2-CG1 3.96Å; W355-I509 HydrophobicContact CZ2-CG1 3.84Å; W355-I509 HydrophobicContact CZ3-CD1 4.17Å; W355-I509 HydrophobicContact CZ3-CG1 3.98Å; W355-D512 PolarHBondContact NE1-OD2 3.47Å; W355-L513 HydrophobicContact CB-CD1 4.02Å; W355-L513 HydrophobicContact CB-CD2 4.11Å; W355-L513 HydrophobicContact CB-CG 4.13Å; W355-E554 PolarHBondContact N-O 3.12Å; W355-I555 HydrophobicContact CE3-CG2 4.04Å; W355-I555 HydrophobicContact CZ3-CG2 4.29Å; W355-K556 PolarHBondContact O-N 3.22Å; W355-T557 HydrophobicContact CZ3-CG2 4.2Å
356	S	96.6	Very high	87.5	Confident	91 Å²	91	83.9 Å²	83.9	64%	0.636	47%	0.471	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.3	125.4	178.7	57.8	0	0	0	0	110.3	K556	S356-K556 WeakPolarHBondContact CA-O 3.47Å
357	G	91.9	Very high	88	Confident	30 Å²	30	84.6 Å²	84.6	31%	0.309	47%	0.474	S	S	.	.			trans	177.9	-179.4	-179.9	0	0	0	0	0	113.8	K556	G357-K556 PolarHBondContact N-O 2.85Å; G357-K556 VanDerWaalsContact N-O 3.13Å
358	Q	89.1	Confident	88.6	Confident	150 Å²	150	84.9 Å²	84.9	70%	0.701	46%	0.462	S	S	*	.	P	Polyproline II helix	trans	-86.7	143.3	168.2	-70.2	177.5	-29	0	0	109.5
359	L	88.4	Confident	89.2	Confident	46 Å²	46	80.2 Å²	80.2	24%	0.241	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-76.4	152.5	176.2	-57.7	-173	0	0	0	110.4	W355 L501 A505 I509 T557 F560	W355-L359 HydrophobicContact CH2-CD2 4.02Å; W355-L359 HydrophobicContact CZ3-CD2 4.1Å; L359-L501 HydrophobicContact CD1-CD2 4.24Å; L359-L501 HydrophobicContact CD2-CD2 4.25Å; L359-A505 HydrophobicContact CB-CB 4.48Å; L359-A505 HydrophobicContact CD1-CB 4.45Å; L359-A505 HydrophobicContact CD2-CB 4.21Å; L359-I509 HydrophobicContact CD2-CD1 4Å; L359-T557 HydrophobicContact CD1-CG2 4.38Å; L359-T557 HydrophobicContact CD2-CG2 3.72Å; L359-T557 HydrophobicContact CG-CG2 3.91Å; L359-F560 HydrophobicContact CD1-CE1 4.06Å; L359-F560 HydrophobicContact CD1-CZ 4.42Å
360	P	86.7	Confident	89.6	Confident	37 Å²	37	77.1 Å²	77.1	24%	0.24	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-52.7	133.7	174.5	-27.8	35.8	0	0	0	112.3	E504 A508	P360-E504 HydrophobicContact CB-CG 4.34Å; P360-E504 HydrophobicContact CG-CG 4.39Å; P360-A508 HydrophobicContact CG-CB 4.14Å
361	P	81.7	Confident	90	Very high	93 Å²	93	71.7 Å²	71.7	60%	0.604	39%	0.393	S	S	*	.	P	Polyproline II helix	trans	-70.3	132.8	-176.9	28.2	-34.8	0	0	0	111.4	N363	P361-N363 PolarHBondContact O-N 3.01Å; P361-N363 PolarHBondContact O-ND2 2.84Å
362	R	82.9	Confident	90.3	Very high	44 Å²	44	71.4 Å²	71.4	17%	0.166	39%	0.387	C	S	.	.			trans	-88.4	110.3	-172.6	-69.3	163.8	172.2	-115.2	8.3	111.2	Y364 D475 M500	R362-Y364 HydrophobicContact CB-CE2 3.73Å; R362-Y364 WeakPolarHBondContact CD-OH 3.49Å; R362-Y364 HydrophobicContact CG-CE2 4.43Å; R362-Y364 WeakPolarHBondContact CG-OH 3.19Å; R362-Y364 PolarHBondContact NH1-OH 2.84Å; R362-D475 IonicContact CZ-OD2 3.39Å; R362-D475 IonicContact NH1-OD1 2.78Å; R362-D475 IonicContact NH1-OD2 2.84Å; R362-D475 PolarHBondContact NH1-OD2 3.36Å; R362-M500 PolarHBondContact NH2-O 2.83Å
363	N	78.6	Confident	90.4	Very high	141 Å²	141	66.8 Å²	66.8	75%	0.754	36%	0.358	S	S	*	.			trans	-119.5	93.6	-178.8	-74.1	-72.9	0	0	0	111.6	P361	P361-N363 PolarHBondContact O-N 3.01Å; P361-N363 PolarHBondContact O-ND2 2.84Å
364	Y	82.3	Confident	90.5	Very high	81 Å²	81	67.1 Å²	67.1	32%	0.318	36%	0.356	S	S	.	.			trans	-95.2	127.4	-178.4	-50	-69	0	0	0	112.4	R362 P367 V472 D475	R362-Y364 HydrophobicContact CB-CE2 3.73Å; R362-Y364 WeakPolarHBondContact CD-OH 3.49Å; R362-Y364 HydrophobicContact CG-CE2 4.43Å; R362-Y364 WeakPolarHBondContact CG-OH 3.19Å; R362-Y364 PolarHBondContact NH1-OH 2.84Å; Y364-P367 HydrophobicContact CG-CB 4.45Å; Y364-V472 HydrophobicContact CD1-CG1 3.88Å; Y364-V472 HydrophobicContact CD1-CG2 4.48Å; Y364-V472 HydrophobicContact CD2-CG2 4.29Å; Y364-V472 HydrophobicContact CE1-CB 4.12Å; Y364-V472 HydrophobicContact CE1-CG1 3.87Å; Y364-V472 HydrophobicContact CE1-CG2 4.23Å; Y364-V472 HydrophobicContact CE2-CG2 4.03Å; Y364-V472 HydrophobicContact CG-CG1 4.47Å; Y364-D475 PolarHBondContact OH-OD1 2.89Å; Y364-D475 PolarHBondContact OH-OD2 2.93Å
365	K	78.8	Confident	90.4	Very high	205 Å²	205	64 Å²	64	89%	0.891	34%	0.337	S	S	*	.	S	Bend	trans	-99.9	116.3	164.8	-64.8	-178.2	-179.4	179.9	0	108.3
366	N	83.8	Confident	90.2	Very high	155 Å²	155	63.1 Å²	63.1	83%	0.829	34%	0.335	S	S	*	.	S	Bend	trans	49	64.7	-178.1	-62.6	-6.5	0	0	0	114
367	P	90.8	Very high	90	Very high	29 Å²	29	60.5 Å²	60.5	19%	0.188	32%	0.323	C	S	.	.			trans	-58.2	146.3	-178.8	23.5	-33.5	0	0	0	113.6	Y364 Y369 R433 V472	Y364-P367 HydrophobicContact CG-CB 4.45Å; P367-Y369 HydrophobicContact CB-CE1 4.17Å; P367-Y369 HydrophobicContact CB-CE2 4.11Å; P367-Y369 HydrophobicContact CG-CE1 4.37Å; P367-Y369 HydrophobicContact CG-CE2 3.9Å; P367-Y369 VanDerWaalsContact CG-OH 3.22Å; P367-Y369 WeakPolarHBondContact CG-OH 3.33Å; P367-R433 PolarHBondContact O-NE 2.64Å; P367-R433 PolarHBondContact O-NH2 2.8Å; P367-V472 HydrophobicContact CB-CG1 4Å; P367-V472 HydrophobicContact CB-CG2 4.2Å
368	I	94.7	Very high	90	Very high	98 Å²	98	59.3 Å²	59.3	50%	0.503	31%	0.309	S	S	.	.			trans	-109.4	127.2	167.8	-53.2	175.7	0	0	0	106.9	E429 L473	I368-E429 HydrophobicContact CG2-CG 4.2Å; I368-L473 HydrophobicContact CG2-CD1 3.79Å; I368-L473 HydrophobicContact CG2-CG 4.41Å; I368-L473 PolarHBondContact O-N 3.17Å
369	Y	95.9	Very high	90.1	Very high	23 Å²	23	52.2 Å²	52.2	9%	0.09	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	160.3	-173.6	-61	-78.2	0	0	0	113	P367 E429 V432 R433 L436 P470 W471 V472	P367-Y369 HydrophobicContact CB-CE1 4.17Å; P367-Y369 HydrophobicContact CB-CE2 4.11Å; P367-Y369 HydrophobicContact CG-CE1 4.37Å; P367-Y369 HydrophobicContact CG-CE2 3.9Å; P367-Y369 VanDerWaalsContact CG-OH 3.22Å; P367-Y369 WeakPolarHBondContact CG-OH 3.33Å; Y369-E429 PolarHBondContact N-OE1 2.93Å; Y369-E429 WeakPolarHBondContact O-CG 3.24Å; Y369-V432 HydrophobicContact CD2-CG1 4.43Å; Y369-V432 HydrophobicContact CG-CG1 4.12Å; Y369-R433 HydrophobicContact CD2-CG 3.97Å; Y369-R433 HydrophobicContact CE2-CG 4.07Å; Y369-L436 HydrophobicContact CD1-CD1 4.29Å; Y369-L436 HydrophobicContact CD2-CD1 4.22Å; Y369-L436 HydrophobicContact CE1-CD1 3.77Å; Y369-L436 HydrophobicContact CE2-CD1 3.71Å; Y369-L436 HydrophobicContact CG-CD1 4.47Å; Y369-L436 VanDerWaalsContact CZ-CD1 3.43Å; Y369-P470 HydrophobicContact CD1-CB 3.68Å; Y369-P470 HydrophobicContact CD1-CG 4.21Å; Y369-P470 HydrophobicContact CE1-CB 3.89Å; Y369-P470 HydrophobicContact CE1-CG 3.9Å; Y369-P470 HydrophobicContact CG-CB 4.5Å; Y369-W471 CarbonylContact C-O 3.58Å; Y369-W471 VanDerWaalsContact CA-O 3.24Å; Y369-W471 WeakPolarHBondContact CA-O 3.49Å; Y369-V472 HydrophobicContact CD1-CG2 3.92Å; Y369-V472 HydrophobicContact CE1-CG2 3.69Å
370	S	97.2	Very high	90	Very high	2 Å²	2	56 Å²	56	1%	0.014	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	147.4	157.3	176.5	0	0	0	0	109.2	K372 W471 H527	S370-K372 PolarHBondContact O-N 3.4Å; S370-K372 PolarHBondContact OG-N 3.36Å; S370-K372 VanDerWaalsContact OG-N 3.08Å; S370-W471 PolarHBondContact N-O 3.41Å; S370-H527 PolarHBondContact OG-O 3.36Å
371	C	97.6	Very high	90	Very high	32 Å²	32	55 Å²	55	22%	0.216	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	-13.7	169.8	-57.7	0	0	0	0	112.8	F426	C371-F426 VanDerWaalsContact CB-O 3.22Å; C371-F426 WeakPolarHBondContact CB-O 3.32Å; C371-F426 PolarHBondContact O-N 2.94Å
372	K	97.2	Very high	90.4	Very high	21 Å²	21	51.7 Å²	51.7	9%	0.091	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	136.2	175.8	-179.8	163.1	171.1	173.1	0	110.1	S370 E400 Y423 L424 V425 D525 H527 Y529	S370-K372 PolarHBondContact O-N 3.4Å; S370-K372 PolarHBondContact OG-N 3.36Å; S370-K372 VanDerWaalsContact OG-N 3.08Å; K372-E400 VanDerWaalsContact CE-OE2 3.29Å; K372-E400 WeakPolarHBondContact CE-OE2 3.34Å; K372-E400 IonicContact NZ-OE2 2.87Å; K372-E400 PolarHBondContact NZ-OE2 2.91Å; K372-Y423 HydrophobicContact CG-CD1 4.35Å; K372-L424 CarbonylContact C-O 3.49Å; K372-L424 VanDerWaalsContact CA-O 3.3Å; K372-L424 WeakPolarHBondContact CA-O 3.19Å; K372-V425 HydrophobicContact CB-CG2 4.16Å; K372-V425 HydrophobicContact CD-CG2 3.91Å; K372-V425 HydrophobicContact CG-CG2 3.92Å; K372-D525 WeakPolarHBondContact CD-OD2 3.49Å; K372-D525 IonicContact NZ-OD2 3.61Å; K372-D525 PolarHBondContact NZ-OD2 3.47Å; K372-H527 HydrophobicContact CB-CB 3.88Å; K372-H527 HydrophobicContact CD-CB 4.37Å; K372-Y529 HydrophobicContact CB-CD2 3.71Å; K372-Y529 HydrophobicContact CB-CG 3.99Å; K372-Y529 HydrophobicContact CD-CD1 4.33Å; K372-Y529 HydrophobicContact CD-CD2 4.4Å; K372-Y529 HydrophobicContact CD-CG 3.91Å; K372-Y529 HydrophobicContact CG-CD1 4.32Å; K372-Y529 HydrophobicContact CG-CD2 3.7Å; K372-Y529 HydrophobicContact CG-CE2 4.29Å; K372-Y529 HydrophobicContact CG-CG 3.71Å; K372-Y529 WeakPolarHBondContact O-CD2 3.39Å; K372-Y529 WeakPolarHBondContact O-CE2 3.42Å
373	V	96.1	Very high	90.8	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134	-172.7	-177.9	0	0	0	0	108.5	Y423 L424 V432 V468	V373-Y423 WeakPolarHBondContact O-CA 3.41Å; V373-L424 PolarHBondContact N-O 3.48Å; V373-L424 PolarHBondContact O-N 3.01Å; V373-V432 HydrophobicContact CG2-CB 4.31Å; V373-V432 HydrophobicContact CG2-CG1 3.67Å; V373-V432 HydrophobicContact CG2-CG2 3.67Å; V373-V468 HydrophobicContact CG1-CG1 3.64Å
374	F	95.4	Very high	91.4	Very high	41 Å²	41	49.9 Å²	49.9	18%	0.18	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	134.9	172.3	171.7	-83.3	0	0	0	110.2	Y421 Y423 I469 Y529	F374-Y421 HydrophobicContact CD2-CD2 4.32Å; F374-Y421 AromaticContact CE2-CD2 3.51Å; F374-Y421 HydrophobicContact CE2-CD2 3.51Å; F374-Y421 HydrophobicContact CE2-CE2 4.4Å; F374-Y421 AromaticContact CE2-CG 3.82Å; F374-Y421 HydrophobicContact CE2-CG 3.82Å; F374-Y421 HydrophobicContact CZ-CD2 4.23Å; F374-Y421 HydrophobicContact CZ-CG 4.07Å; F374-Y423 HydrophobicContact CB-CD1 4.1Å; F374-Y423 HydrophobicContact CB-CE1 3.96Å; F374-Y423 HydrophobicContact CD2-CD1 4.38Å; F374-Y423 AromaticContact CD2-CE1 3.75Å; F374-Y423 HydrophobicContact CD2-CE1 3.75Å; F374-Y423 HydrophobicContact CG-CE1 4.36Å; F374-I469 HydrophobicContact CB-CB 4.24Å; F374-I469 HydrophobicContact CD1-CB 4.05Å; F374-I469 HydrophobicContact CD1-CD1 3.78Å; F374-I469 HydrophobicContact CD1-CG1 3.96Å; F374-I469 HydrophobicContact CE1-CD1 3.98Å; F374-I469 PolarHBondContact N-O 3.33Å; F374-I469 PolarHBondContact O-N 3.42Å; F374-Y529 VanDerWaalsContact CB-OH 3.28Å; F374-Y529 WeakPolarHBondContact CB-OH 3.36Å
375	L	94.8	Very high	91.9	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	103.6	178.2	-170	72.6	0	0	0	109	V378 L387 F391 Y421 V422 L424 V466 Q467 V468	L375-V378 HydrophobicContact CB-CG1 4.42Å; L375-V378 HydrophobicContact CD2-CG1 3.57Å; L375-V378 HydrophobicContact CG-CG1 3.73Å; L375-L387 HydrophobicContact CD2-CD2 3.8Å; L375-F391 HydrophobicContact CD1-CZ 4.16Å; L375-F391 HydrophobicContact CD2-CE2 3.62Å; L375-F391 HydrophobicContact CD2-CZ 3.85Å; L375-Y421 CarbonylContact O-C 3.48Å; L375-Y421 WeakPolarHBondContact O-CA 3.48Å; L375-V422 HydrophobicContact CB-CG1 3.87Å; L375-V422 HydrophobicContact CD2-CG1 3.94Å; L375-V422 HydrophobicContact CG-CG1 4.39Å; L375-V422 PolarHBondContact N-O 2.77Å; L375-V422 PolarHBondContact O-N 2.86Å; L375-L424 HydrophobicContact CB-CG 4.47Å; L375-L424 HydrophobicContact CD2-CD1 4.26Å; L375-L424 HydrophobicContact CD2-CD2 4.37Å; L375-L424 HydrophobicContact CD2-CG 4.39Å; L375-V466 HydrophobicContact CD1-CB 4.15Å; L375-V466 HydrophobicContact CD1-CG2 3.66Å; L375-V466 HydrophobicContact CG-CB 4.4Å; L375-V466 HydrophobicContact CG-CG2 4.24Å; L375-Q467 CarbonylContact C-O 3.52Å; L375-Q467 WeakPolarHBondContact CA-O 3.29Å; L375-V468 HydrophobicContact CD1-CG2 3.75Å
376	G	93.3	Very high	92.6	Very high	6 Å²	6	40.6 Å²	40.6	6%	0.062	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	156.9	-179.1	0	0	0	0	0	113.3	V378 G420 V466 Q467	G376-V378 VanDerWaalsContact C-N 3.33Å; G376-V378 PolarHBondContact O-N 3.12Å; G376-G420 CarbonylContact C-O 3.52Å; G376-V466 CarbonylContact O-C 3.56Å; G376-V466 WeakPolarHBondContact O-CA 3.46Å; G376-V466 WeakPolarHBondContact O-CB 3.38Å; G376-Q467 PolarHBondContact N-O 3.3Å; G376-Q467 PolarHBondContact O-N 3.2Å
377	G	91.9	Very high	93.1	Very high	36 Å²	36	33.2 Å²	33.2	37%	0.371	19%	0.191	S	C	.	.	S	Bend	trans	72.5	16.5	177.9	0	0	0	0	0	115.1	G420 K464	G377-G420 WeakPolarHBondContact CA-O 3.41Å; G377-G420 PolarHBondContact N-O 2.76Å; G377-K464 WeakPolarHBondContact O-CD 3.16Å; G377-K464 WeakPolarHBondContact O-CE 3.49Å; G377-K464 PolarHBondContact O-NZ 3.14Å
378	V	92.6	Very high	93.4	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.03	20%	0.196	C	C	.	.			trans	-56.3	151.1	-175.4	-65.1	0	0	0	0	113.5	L375 G376 W380 I382 G420 V422 K464 V466	L375-V378 HydrophobicContact CB-CG1 4.42Å; L375-V378 HydrophobicContact CD2-CG1 3.57Å; L375-V378 HydrophobicContact CG-CG1 3.73Å; G376-V378 VanDerWaalsContact C-N 3.33Å; G376-V378 PolarHBondContact O-N 3.12Å; V378-W380 PolarHBondContact O-N 3Å; V378-I382 HydrophobicContact CB-CG2 4.33Å; V378-I382 HydrophobicContact CG2-CG2 4.46Å; V378-G420 PolarHBondContact N-O 2.96Å; V378-G420 VanDerWaalsContact N-O 3.17Å; V378-V422 HydrophobicContact CG1-CG1 3.95Å; V378-K464 PolarHBondContact O-NZ 3.42Å; V378-V466 HydrophobicContact CG1-CG1 4.33Å
379	P	90.9	Very high	93.4	Very high	1 Å²	1	33.8 Å²	33.8	1%	0.006	20%	0.195	C	C	.	.			trans	-60.3	134.6	173.3	-20.8	31.8	0	0	0	110.9	D381 I382 M456 S458 M461 K464	P379-D381 PolarHBondContact O-N 3.15Å; P379-I382 HydrophobicContact CB-CB 4.3Å; P379-I382 WeakPolarHBondContact O-CB 3.32Å; P379-I382 WeakPolarHBondContact O-CG2 3.41Å; P379-I382 PolarHBondContact O-N 3.39Å; P379-I382 VanDerWaalsContact O-N 3.12Å; P379-M456 HydrophobicContact CG-CG 4.34Å; P379-M456 HydrophobicContact CG-SD 4.46Å; P379-S458 WeakPolarHBondContact CB-OG 3.33Å; P379-M461 HydrophobicContact CB-CB 4.19Å; P379-M461 HydrophobicContact CB-CG 4.27Å; P379-M461 HydrophobicContact CB-SD 3.96Å; P379-K464 HydrophobicContact CB-CD 4.31Å; P379-K464 HydrophobicContact CG-CB 4.26Å; P379-K464 HydrophobicContact CG-CD 3.89Å
380	W	86.8	Confident	93.4	Very high	126 Å²	126	34.5 Å²	34.5	48%	0.477	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-24.7	-175.3	61.5	-96.2	0	0	0	113.1	V378 P418	V378-W380 PolarHBondContact O-N 3Å; W380-P418 HydrophobicContact CB-CB 4.19Å; W380-P418 HydrophobicContact CB-CG 4.08Å; W380-P418 WeakPolarHBondContact O-CB 3.39Å; W380-P418 VanDerWaalsContact O-CG 3.24Å; W380-P418 WeakPolarHBondContact O-CG 3.09Å
381	D	87.4	Confident	93.4	Very high	16 Å²	16	34.4 Å²	34.4	9%	0.086	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.9	4.7	178.4	71.6	-54.4	0	0	0	113.9	P379 S458 R459 R460	P379-D381 PolarHBondContact O-N 3.15Å; D381-S458 WeakPolarHBondContact OD1-CB 3.39Å; D381-S458 PolarHBondContact OD1-OG 2.8Å; D381-S458 WeakPolarHBondContact OD2-CB 3.42Å; D381-S458 PolarHBondContact OD2-OG 3.05Å; D381-S458 VanDerWaalsContact OD2-OG 3.08Å; D381-R459 WeakPolarHBondContact OD2-CB 3.06Å; D381-R459 PolarHBondContact OD2-N 2.8Å; D381-R460 PolarHBondContact OD2-N 3.46Å
382	I	90.4	Very high	93.4	Very high	22 Å²	22	40.2 Å²	40.2	11%	0.113	22%	0.219	C	C	.	.			trans	-68.9	147.4	177.5	-156.1	64.4	0	0	0	110.9	V378 P379 L387 W401 M456	V378-I382 HydrophobicContact CB-CG2 4.33Å; V378-I382 HydrophobicContact CG2-CG2 4.46Å; P379-I382 HydrophobicContact CB-CB 4.3Å; P379-I382 WeakPolarHBondContact O-CB 3.32Å; P379-I382 WeakPolarHBondContact O-CG2 3.41Å; P379-I382 PolarHBondContact O-N 3.39Å; P379-I382 VanDerWaalsContact O-N 3.12Å; I382-L387 HydrophobicContact CG1-CD2 4.16Å; I382-L387 HydrophobicContact CG1-CG 3.93Å; I382-L387 HydrophobicContact CG2-CD1 4.32Å; I382-L387 HydrophobicContact CG2-CG 4.35Å; I382-W401 HydrophobicContact CG2-CH2 3.96Å; I382-M456 HydrophobicContact CD1-CE 3.54Å; I382-M456 HydrophobicContact CG1-CE 3.76Å
383	T	90.6	Very high	93.4	Very high	67 Å²	67	44.5 Å²	44.5	41%	0.411	25%	0.247	S	C	.	.			trans	-112.5	160.5	174.9	63.4	0	0	0	0	110.5	A385 G386 L387	T383-A385 VanDerWaalsContact C-N 3.28Å; T383-A385 PolarHBondContact O-N 3.42Å; T383-G386 WeakPolarHBondContact O-CA 3.31Å; T383-G386 PolarHBondContact O-N 2.81Å; T383-G386 PolarHBondContact OG1-N 2.87Å; T383-G386 VanDerWaalsContact OG1-N 3.12Å; T383-L387 PolarHBondContact O-N 3.2Å
384	E	91.9	Very high	93.5	Very high	80 Å²	80	46.1 Å²	46.1	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-50.8	-47	171.5	-179.2	161	159.6	0	0	111.9	G386 L387 V388 V399 K404	E384-G386 VanDerWaalsContact C-N 3.32Å; E384-G386 PolarHBondContact O-N 2.71Å; E384-L387 PolarHBondContact O-N 3.13Å; E384-V388 WeakPolarHBondContact O-CG2 3.36Å; E384-V388 PolarHBondContact O-N 2.85Å; E384-V399 HydrophobicContact CG-CB 4.04Å; E384-V399 HydrophobicContact CG-CG1 4.45Å; E384-V399 HydrophobicContact CG-CG2 4.47Å; E384-K404 IonicContact OE1-NZ 2.63Å; E384-K404 PolarHBondContact OE1-NZ 3.46Å; E384-K404 IonicContact OE2-NZ 3.64Å; E384-K404 PolarHBondContact OE2-NZ 2.67Å
385	A	92.8	Very high	93.6	Very high	73 Å²	73	45.2 Å²	45.2	60%	0.603	26%	0.256	S	S	*	.	H	α-helix	trans	-63.9	-33.2	174.5	0	0	0	0	0	113.5	T383 N389	T383-A385 VanDerWaalsContact C-N 3.28Å; T383-A385 PolarHBondContact O-N 3.42Å; A385-N389 VanDerWaalsContact O-CB 3.25Å; A385-N389 WeakPolarHBondContact O-CB 3.13Å; A385-N389 PolarHBondContact O-N 2.95Å
386	G	93.4	Very high	93.7	Very high	19 Å²	19	48.3 Å²	48.3	20%	0.196	28%	0.278	C	S	.	.	H	α-helix	trans	-64.3	-47.5	173.8	0	0	0	0	0	111.9	T383 E384 N389 T390	T383-G386 WeakPolarHBondContact O-CA 3.31Å; T383-G386 PolarHBondContact O-N 2.81Å; T383-G386 PolarHBondContact OG1-N 2.87Å; T383-G386 VanDerWaalsContact OG1-N 3.12Å; E384-G386 VanDerWaalsContact C-N 3.32Å; E384-G386 PolarHBondContact O-N 2.71Å; G386-N389 PolarHBondContact O-N 2.81Å; G386-T390 PolarHBondContact O-N 2.84Å; G386-T390 PolarHBondContact O-OG1 2.84Å
387	L	94.6	Very high	93.9	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.3	-50.2	175.1	-69.8	164	0	0	0	111.5	L375 I382 T383 E384 N389 T390 F391 V399 W401 V422 M456	L375-L387 HydrophobicContact CD2-CD2 3.8Å; I382-L387 HydrophobicContact CG1-CD2 4.16Å; I382-L387 HydrophobicContact CG1-CG 3.93Å; I382-L387 HydrophobicContact CG2-CD1 4.32Å; I382-L387 HydrophobicContact CG2-CG 4.35Å; T383-L387 PolarHBondContact O-N 3.2Å; E384-L387 PolarHBondContact O-N 3.13Å; L387-N389 VanDerWaalsContact C-N 3.33Å; L387-N389 PolarHBondContact O-N 3.17Å; L387-T390 PolarHBondContact O-N 2.96Å; L387-T390 VanDerWaalsContact O-N 3.16Å; L387-F391 HydrophobicContact CD2-CD2 4.41Å; L387-F391 HydrophobicContact CD2-CE2 3.94Å; L387-F391 VanDerWaalsContact O-CD2 3.27Å; L387-F391 WeakPolarHBondContact O-CD2 3.22Å; L387-F391 PolarHBondContact O-N 2.81Å; L387-V399 HydrophobicContact CB-CG2 4.07Å; L387-V399 HydrophobicContact CD1-CG1 3.76Å; L387-W401 HydrophobicContact CD1-CH2 3.87Å; L387-W401 HydrophobicContact CD1-CZ2 3.52Å; L387-V422 HydrophobicContact CD1-CG1 3.92Å; L387-V422 HydrophobicContact CD1-CG2 4.21Å; L387-V422 HydrophobicContact CD2-CG1 4.44Å; L387-M456 HydrophobicContact CD2-CE 3.89Å; L387-M456 HydrophobicContact CD2-SD 4.17Å
388	V	96.2	Very high	94.1	Very high	48 Å²	48	50.5 Å²	50.5	29%	0.291	28%	0.284	S	S	.	.	H	α-helix	trans	-57.7	-45.9	177	173.7	0	0	0	0	110.8	E384 T390 F391 R392 V399	E384-V388 WeakPolarHBondContact O-CG2 3.36Å; E384-V388 PolarHBondContact O-N 2.85Å; V388-T390 VanDerWaalsContact C-N 3.31Å; V388-T390 PolarHBondContact O-N 3.49Å; V388-F391 PolarHBondContact O-N 2.84Å; V388-R392 WeakPolarHBondContact O-CB 3.3Å; V388-R392 WeakPolarHBondContact O-CG 3.46Å; V388-R392 PolarHBondContact O-N 3.07Å; V388-V399 HydrophobicContact CG2-CG2 3.72Å
389	N	95.6	Very high	94.2	Very high	91 Å²	91	50.6 Å²	50.6	49%	0.487	29%	0.285	S	S	.	.	H	α-helix	trans	-65.2	-31.9	179	-177.2	62.7	0	0	0	113.5	A385 G386 L387 R392	A385-N389 VanDerWaalsContact O-CB 3.25Å; A385-N389 WeakPolarHBondContact O-CB 3.13Å; A385-N389 PolarHBondContact O-N 2.95Å; G386-N389 PolarHBondContact O-N 2.81Å; L387-N389 VanDerWaalsContact C-N 3.33Å; L387-N389 PolarHBondContact O-N 3.17Å; N389-R392 PolarHBondContact OD1-NE 2.86Å; N389-R392 PolarHBondContact OD1-NH2 2.81Å
390	T	95.8	Very high	94.3	Very high	37 Å²	37	53.5 Å²	53.5	23%	0.227	30%	0.298	C	S	.	.	H	α-helix	trans	-71.5	-47	174.4	-62.1	0	0	0	0	112.1	G386 L387 V388 F454 M456	G386-T390 PolarHBondContact O-N 2.84Å; G386-T390 PolarHBondContact O-OG1 2.84Å; L387-T390 PolarHBondContact O-N 2.96Å; L387-T390 VanDerWaalsContact O-N 3.16Å; V388-T390 VanDerWaalsContact C-N 3.31Å; V388-T390 PolarHBondContact O-N 3.49Å; T390-F454 HydrophobicContact CG2-CE1 3.76Å; T390-F454 HydrophobicContact CG2-CZ 4.41Å; T390-M456 HydrophobicContact CG2-CB 4.21Å; T390-M456 HydrophobicContact CG2-CE 4.49Å
391	F	97.1	Very high	94.3	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-94.3	-12.8	-169.4	-67.4	-69.5	0	0	0	115	L375 L387 V388 V393 F394 L397 L424 F426 L435 F454 M456	L375-F391 HydrophobicContact CD1-CZ 4.16Å; L375-F391 HydrophobicContact CD2-CE2 3.62Å; L375-F391 HydrophobicContact CD2-CZ 3.85Å; L387-F391 HydrophobicContact CD2-CD2 4.41Å; L387-F391 HydrophobicContact CD2-CE2 3.94Å; L387-F391 VanDerWaalsContact O-CD2 3.27Å; L387-F391 WeakPolarHBondContact O-CD2 3.22Å; L387-F391 PolarHBondContact O-N 2.81Å; V388-F391 PolarHBondContact O-N 2.84Å; F391-V393 PolarHBondContact O-N 2.68Å; F391-F394 HydrophobicContact CD1-CD2 4.11Å; F391-F394 AromaticContact CD1-CE2 3.95Å; F391-F394 HydrophobicContact CD1-CE2 3.95Å; F391-F394 WeakPolarHBondContact O-CD2 3.4Å; F391-F394 PolarHBondContact O-N 3.45Å; F391-L397 HydrophobicContact CB-CD1 3.98Å; F391-L397 HydrophobicContact CB-CD2 3.83Å; F391-L424 HydrophobicContact CB-CD1 4.29Å; F391-L424 HydrophobicContact CD1-CD1 4.01Å; F391-L424 HydrophobicContact CD2-CD1 3.59Å; F391-L424 HydrophobicContact CD2-CD2 4.17Å; F391-L424 HydrophobicContact CE1-CD1 4.26Å; F391-L424 HydrophobicContact CE2-CD1 3.87Å; F391-L424 HydrophobicContact CG-CD1 3.69Å; F391-L424 HydrophobicContact CZ-CD1 4.19Å; F391-F426 HydrophobicContact CB-CZ 4.33Å; F391-L435 HydrophobicContact CD1-CD1 3.84Å; F391-L435 HydrophobicContact CE1-CD1 3.72Å; F391-F454 AromaticContact CE1-CD1 3.59Å; F391-F454 HydrophobicContact CE1-CD1 3.59Å; F391-F454 AromaticContact CE1-CE1 3.7Å; F391-F454 HydrophobicContact CE1-CE1 3.7Å; F391-F454 HydrophobicContact CE1-CG 4.07Å; F391-F454 HydrophobicContact CE1-CZ 4.26Å; F391-F454 AromaticContact CZ-CD1 3.76Å; F391-F454 HydrophobicContact CZ-CD1 3.76Å; F391-F454 HydrophobicContact CZ-CE1 4.03Å; F391-M456 HydrophobicContact CE2-SD 4.42Å
392	R	96.9	Very high	94	Very high	154 Å²	154	50.3 Å²	50.3	58%	0.581	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-57.3	-19.7	178	64.1	178.9	177.6	146.4	-1.5	114.9	V388 N389 F394 G395 L397	V388-R392 WeakPolarHBondContact O-CB 3.3Å; V388-R392 WeakPolarHBondContact O-CG 3.46Å; V388-R392 PolarHBondContact O-N 3.07Å; N389-R392 PolarHBondContact OD1-NE 2.86Å; N389-R392 PolarHBondContact OD1-NH2 2.81Å; R392-F394 PolarHBondContact O-N 2.85Å; R392-G395 WeakPolarHBondContact CA-O 3.19Å; R392-G395 PolarHBondContact O-N 3.1Å; R392-G395 VanDerWaalsContact O-N 3.12Å; R392-L397 HydrophobicContact CB-CD2 4.42Å
393	V	97.1	Very high	93	Very high	112 Å²	112	51.9 Å²	51.9	68%	0.679	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-62.7	-23.6	176.1	-59.8	0	0	0	0	112.8	F391	F391-V393 PolarHBondContact O-N 2.68Å
394	F	97.7	Very high	91.4	Very high	35 Å²	35	54.6 Å²	54.6	15%	0.154	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-90.6	-17.4	176.1	-52	-64.6	0	0	0	112.9	F391 R392 F426 S431 S434 L435 A438 F454	F391-F394 HydrophobicContact CD1-CD2 4.11Å; F391-F394 AromaticContact CD1-CE2 3.95Å; F391-F394 HydrophobicContact CD1-CE2 3.95Å; F391-F394 WeakPolarHBondContact O-CD2 3.4Å; F391-F394 PolarHBondContact O-N 3.45Å; R392-F394 PolarHBondContact O-N 2.85Å; F394-F426 HydrophobicContact CB-CE1 4.11Å; F394-F426 HydrophobicContact CB-CZ 4.49Å; F394-S431 WeakPolarHBondContact O-CA 3.27Å; F394-S431 WeakPolarHBondContact O-CB 3.36Å; F394-S431 PolarHBondContact O-OG 3.35Å; F394-S434 WeakPolarHBondContact CE1-O 3.46Å; F394-L435 HydrophobicContact CD1-CB 4.46Å; F394-L435 HydrophobicContact CD2-CB 4.04Å; F394-L435 HydrophobicContact CD2-CD1 3.96Å; F394-L435 HydrophobicContact CE2-CB 4.41Å; F394-L435 HydrophobicContact CE2-CD1 3.63Å; F394-L435 HydrophobicContact CG-CB 4.07Å; F394-L435 HydrophobicContact CZ-CD1 4.16Å; F394-A438 HydrophobicContact CE1-CB 3.54Å; F394-A438 HydrophobicContact CZ-CB 3.63Å; F394-F454 HydrophobicContact CE2-CE2 4.15Å; F394-F454 HydrophobicContact CE2-CZ 4.29Å; F394-F454 AromaticContact CZ-CE2 3.92Å; F394-F454 HydrophobicContact CZ-CE2 3.92Å; F394-F454 HydrophobicContact CZ-CZ 4.36Å
395	G	96.9	Very high	89.4	Confident	22 Å²	22	55.8 Å²	55.8	23%	0.227	32%	0.323	C	S	.	.	S	Bend	trans	144.9	174.8	179.3	0	0	0	0	0	112.9	R392 L397	R392-G395 WeakPolarHBondContact CA-O 3.19Å; R392-G395 PolarHBondContact O-N 3.1Å; R392-G395 VanDerWaalsContact O-N 3.12Å; G395-L397 WeakPolarHBondContact O-CD2 3.33Å; G395-L397 PolarHBondContact O-N 3.27Å
396	S	97	Very high	87.2	Confident	65 Å²	65	55.6 Å²	55.6	46%	0.455	33%	0.328	S	S	.	.			trans	-56.7	134.1	174.3	-51.6	0	0	0	0	111.6	F426 E427	S396-F426 WeakPolarHBondContact O-CA 3.48Å; S396-E427 WeakPolarHBondContact CB-OE1 3.18Å; S396-E427 WeakPolarHBondContact CB-OE2 3.13Å; S396-E427 PolarHBondContact O-N 2.88Å; S396-E427 PolarHBondContact OG-OE2 2.67Å
397	L	97.6	Very high	85.1	Confident	25 Å²	25	63.8 Å²	63.8	13%	0.131	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	157.8	174.9	71.8	143.7	0	0	0	112.9	F391 R392 G395 V399 L424 V425 F426	F391-L397 HydrophobicContact CB-CD1 3.98Å; F391-L397 HydrophobicContact CB-CD2 3.83Å; R392-L397 HydrophobicContact CB-CD2 4.42Å; G395-L397 WeakPolarHBondContact O-CD2 3.33Å; G395-L397 PolarHBondContact O-N 3.27Å; L397-V399 HydrophobicContact CD1-CG2 4.13Å; L397-L424 HydrophobicContact CD1-CB 4.18Å; L397-L424 HydrophobicContact CD1-CD1 4.49Å; L397-L424 HydrophobicContact CD1-CD2 3.84Å; L397-L424 HydrophobicContact CD1-CG 4.39Å; L397-V425 CarbonylContact C-O 3.52Å; L397-V425 WeakPolarHBondContact CA-O 3.1Å; L397-V425 WeakPolarHBondContact CB-O 3.44Å; L397-F426 HydrophobicContact CB-CD1 3.79Å; L397-F426 HydrophobicContact CB-CE1 4Å; L397-F426 HydrophobicContact CB-CG 4.23Å; L397-F426 HydrophobicContact CD2-CE1 4.04Å; L397-F426 HydrophobicContact CG-CE1 4.46Å
398	S	96.4	Very high	82.5	Confident	62 Å²	62	71.3 Å²	71.3	43%	0.434	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	168	159.4	69.6	0	0	0	0	110.5	V425	S398-V425 PolarHBondContact N-O 3.27Å; S398-V425 PolarHBondContact O-N 2.64Å
399	V	95.1	Very high	79.9	Confident	8 Å²	8	74.7 Å²	74.7	5%	0.048	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	118.2	-174.9	178.8	0	0	0	0	109.3	E384 L387 V388 L397 V422 Y423 L424	E384-V399 HydrophobicContact CG-CB 4.04Å; E384-V399 HydrophobicContact CG-CG1 4.45Å; E384-V399 HydrophobicContact CG-CG2 4.47Å; L387-V399 HydrophobicContact CB-CG2 4.07Å; L387-V399 HydrophobicContact CD1-CG1 3.76Å; V388-V399 HydrophobicContact CG2-CG2 3.72Å; L397-V399 HydrophobicContact CD1-CG2 4.13Å; V399-V422 HydrophobicContact CG1-CG2 3.37Å; V399-Y423 WeakPolarHBondContact CA-O 3.31Å; V399-L424 HydrophobicContact CG2-CD2 4.17Å
400	E	92.8	Very high	77.4	Confident	61 Å²	61	81.1 Å²	81.1	29%	0.285	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	118	179.6	-68.6	-178.5	172.6	0	0	110.1	K372 V422 Y423 V425 H527	K372-E400 VanDerWaalsContact CE-OE2 3.29Å; K372-E400 WeakPolarHBondContact CE-OE2 3.34Å; K372-E400 IonicContact NZ-OE2 2.87Å; K372-E400 PolarHBondContact NZ-OE2 2.91Å; E400-V422 WeakPolarHBondContact O-CG2 3.42Å; E400-Y423 PolarHBondContact N-O 3.02Å; E400-Y423 PolarHBondContact O-N 3.02Å; E400-V425 HydrophobicContact CG-CG2 4.05Å; E400-H527 IonicContact OE1-CE1 3.65Å
401	W	87.7	Confident	74.7	Confident	63 Å²	63	84 Å²	84	24%	0.239	46%	0.455	C	S	.	.			trans	-93.4	132.7	177.2	-67.7	95	0	0	0	111.4	I382 L387 G403 K404 V422	I382-W401 HydrophobicContact CG2-CH2 3.96Å; L387-W401 HydrophobicContact CD1-CH2 3.87Å; L387-W401 HydrophobicContact CD1-CZ2 3.52Å; W401-G403 PolarHBondContact O-N 2.89Å; W401-K404 HydrophobicContact CB-CB 4.12Å; W401-K404 HydrophobicContact CB-CD 4.25Å; W401-K404 WeakPolarHBondContact O-CB 3.28Å; W401-K404 PolarHBondContact O-N 3.41Å; W401-K404 VanDerWaalsContact O-N 3.14Å; W401-V422 HydrophobicContact CD2-CB 4.35Å; W401-V422 HydrophobicContact CD2-CG2 3.58Å; W401-V422 HydrophobicContact CE3-CB 3.87Å; W401-V422 HydrophobicContact CE3-CG2 3.62Å; W401-V422 HydrophobicContact CG-CG2 4.12Å; W401-V422 HydrophobicContact CH2-CB 4.21Å; W401-V422 HydrophobicContact CH2-CG2 4.15Å; W401-V422 HydrophobicContact CZ2-CG2 4.1Å; W401-V422 HydrophobicContact CZ3-CB 3.8Å; W401-V422 HydrophobicContact CZ3-CG2 3.91Å
402	P	80.9	Confident	72.3	Confident	13 Å²	13	88.5 Å²	88.5	8%	0.084	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	114	-178.7	26.7	-37.5	0	0	0	112.5	K419 Y421	P402-K419 HydrophobicContact CB-CD 4.26Å; P402-K419 HydrophobicContact CG-CB 4.24Å; P402-K419 HydrophobicContact CG-CD 3.73Å; P402-K419 WeakPolarHBondContact O-CD 3.35Å; P402-K419 PolarHBondContact O-NZ 2.72Å; P402-Y421 HydrophobicContact CB-CD2 4.41Å; P402-Y421 HydrophobicContact CB-CE2 3.57Å; P402-Y421 HydrophobicContact CG-CD2 3.84Å; P402-Y421 HydrophobicContact CG-CE2 3.36Å
403	G	68.2	Low	69.9	Low	55 Å²	55	85.4 Å²	85.4	57%	0.567	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.8	24.6	-177.1	0	0	0	0	0	114.6	W401 D405	W401-G403 PolarHBondContact O-N 2.89Å; G403-D405 PolarHBondContact O-N 2.66Å
404	K	58.7	Low	67.3	Low	123 Å²	123	90.5 Å²	90.5	54%	0.535	50%	0.496	S	S	.	.			trans	-77.3	56.2	167.1	-169.7	178.4	174.4	-175.8	0	110.2	E384 W401 G406	E384-K404 IonicContact OE1-NZ 2.63Å; E384-K404 PolarHBondContact OE1-NZ 3.46Å; E384-K404 IonicContact OE2-NZ 3.64Å; E384-K404 PolarHBondContact OE2-NZ 2.67Å; W401-K404 HydrophobicContact CB-CB 4.12Å; W401-K404 HydrophobicContact CB-CD 4.25Å; W401-K404 WeakPolarHBondContact O-CB 3.28Å; W401-K404 PolarHBondContact O-N 3.41Å; W401-K404 VanDerWaalsContact O-N 3.14Å; K404-G406 PolarHBondContact O-N 3.34Å
405	D	48.6	Very low	64.8	Low	106 Å²	106	92.5 Å²	92.5	57%	0.567	53%	0.527	S	S	*	.			trans	-67	125.8	173.6	-56.7	-7.9	0	0	0	107.4	G403 K407	G403-D405 PolarHBondContact O-N 2.66Å; D405-K407 PolarHBondContact O-N 2.92Å
406	G	48.3	Very low	62.5	Low	69 Å²	69	96.7 Å²	96.7	71%	0.711	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	5.7	-167.6	0	0	0	0	0	117	K404 H408	K404-G406 PolarHBondContact O-N 3.34Å; G406-H408 VanDerWaalsContact C-N 3.33Å
407	K	49	Very low	60.2	Low	190 Å²	190	101.1 Å²	101.1	83%	0.826	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-19.9	178.7	-60.9	-173.9	179.9	-179.1	0	113.5	D405	D405-K407 PolarHBondContact O-N 2.92Å
408	H	39.2	Very low	58.2	Low	159 Å²	159	102.5 Å²	102.5	74%	0.736	57%	0.57	S	S	*	*			trans	-127.4	90.2	167.9	-84.9	-75	0	0	0	111.6	G406 R410	G406-H408 VanDerWaalsContact C-N 3.33Å; H408-R410 PolarHBondContact O-N 3.39Å; H408-R410 VanDerWaalsContact O-N 3.13Å
409	P	42	Very low	56.7	Low	118 Å²	118	103.8 Å²	103.8	77%	0.766	57%	0.568	S	S	*	*			trans	-69	-8.7	-174.9	-22.7	34.3	0	0	0	116
410	R	42.6	Very low	56.2	Low	226 Å²	226	105.1 Å²	105.1	85%	0.853	58%	0.583	S	S	*	*	S	Bend	trans	-133.3	114.5	-177.4	-64.4	-155.7	-70.1	-167.7	-1.5	111.9	H408	H408-R410 PolarHBondContact O-N 3.39Å; H408-R410 VanDerWaalsContact O-N 3.13Å
411	C	39.1	Very low	56.2	Low	99 Å²	99	105.6 Å²	105.6	67%	0.669	58%	0.583	S	S	*	*			trans	71.7	145.4	176.2	-53.1	0	0	0	0	115.6
412	P	47.5	Very low	56.5	Low	93 Å²	93	102.6 Å²	102.6	60%	0.604	57%	0.571	S	S	*	*	S	Bend	trans	-53.6	149	153.8	-18.4	31.3	0	0	0	109.5	K414	P412-K414 PolarHBondContact O-N 3.21Å
413	P	45.3	Very low	57.2	Low	89 Å²	89	103.8 Å²	103.8	58%	0.578	57%	0.574	S	S	*	*			trans	-50.6	126.9	172.3	-26.1	34.4	0	0	0	110.2	G415 N416	P413-G415 PolarHBondContact O-N 2.81Å; P413-N416 PolarHBondContact O-N 2.83Å
414	K	42.3	Very low	58.6	Low	219 Å²	219	101.2 Å²	101.2	95%	0.952	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	98.1	178.5	-74.8	-177.6	176.4	180	0	109	P412	P412-K414 PolarHBondContact O-N 3.21Å
415	G	45.3	Very low	60.4	Low	78 Å²	78	95.8 Å²	95.8	80%	0.804	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	143.2	-31.4	-172.5	0	0	0	0	0	112.9	P413 M417	P413-G415 PolarHBondContact O-N 2.81Å; G415-M417 PolarHBondContact O-N 2.91Å
416	N	48.2	Very low	62.8	Low	110 Å²	110	91 Å²	91	59%	0.588	50%	0.499	S	S	*	.	S	Bend	trans	-78.9	114.4	173.4	-80	-22.5	0	0	0	110.5	P413	P413-N416 PolarHBondContact O-N 2.83Å
417	M	50	Low	65.1	Low	158 Å²	158	94.2 Å²	94.2	78%	0.778	50%	0.495	S	S	*	.	P	Polyproline II helix	trans	-46.2	133.8	167.2	-171.6	81.1	76.3	0	0	109.5	G415 K419	G415-M417 PolarHBondContact O-N 2.91Å; M417-K419 PolarHBondContact O-N 2.97Å
418	P	54.8	Low	67.4	Low	53 Å²	53	89.3 Å²	89.3	34%	0.344	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-53.4	116.9	174.5	-27.3	36.7	0	0	0	109.6	W380 G420	W380-P418 HydrophobicContact CB-CB 4.19Å; W380-P418 HydrophobicContact CB-CG 4.08Å; W380-P418 WeakPolarHBondContact O-CB 3.39Å; W380-P418 VanDerWaalsContact O-CG 3.24Å; W380-P418 WeakPolarHBondContact O-CG 3.09Å; P418-G420 PolarHBondContact O-N 3.33Å
419	K	65.3	Low	70.1	Confident	90 Å²	90	83.6 Å²	83.6	39%	0.391	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-53.5	117.5	175.3	-70.9	177.3	-179.8	-179.6	0	106.7	P402 M417 Y421	P402-K419 HydrophobicContact CB-CD 4.26Å; P402-K419 HydrophobicContact CG-CB 4.24Å; P402-K419 HydrophobicContact CG-CD 3.73Å; P402-K419 WeakPolarHBondContact O-CD 3.35Å; P402-K419 PolarHBondContact O-NZ 2.72Å; M417-K419 PolarHBondContact O-N 2.97Å; K419-Y421 HydrophobicContact CB-CD1 4.2Å; K419-Y421 HydrophobicContact CB-CE1 3.89Å; K419-Y421 HydrophobicContact CG-CE1 4.4Å; K419-Y421 PolarHBondContact O-N 2.82Å
420	G	84.9	Confident	72.7	Confident	35 Å²	35	84.2 Å²	84.2	36%	0.361	44%	0.442	S	S	.	.	S	Bend	trans	-70.8	27	-171.6	0	0	0	0	0	114.3	G376 G377 V378 P418	G376-G420 CarbonylContact C-O 3.52Å; G377-G420 WeakPolarHBondContact CA-O 3.41Å; G377-G420 PolarHBondContact N-O 2.76Å; V378-G420 PolarHBondContact N-O 2.96Å; V378-G420 VanDerWaalsContact N-O 3.17Å; P418-G420 PolarHBondContact O-N 3.33Å
421	Y	91.6	Very high	75.4	Confident	72 Å²	72	73.7 Å²	73.7	28%	0.282	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	153.2	180	64	-81.3	0	0	0	111.1	F374 L375 P402 K419	F374-Y421 HydrophobicContact CD2-CD2 4.32Å; F374-Y421 AromaticContact CE2-CD2 3.51Å; F374-Y421 HydrophobicContact CE2-CD2 3.51Å; F374-Y421 HydrophobicContact CE2-CE2 4.4Å; F374-Y421 AromaticContact CE2-CG 3.82Å; F374-Y421 HydrophobicContact CE2-CG 3.82Å; F374-Y421 HydrophobicContact CZ-CD2 4.23Å; F374-Y421 HydrophobicContact CZ-CG 4.07Å; L375-Y421 CarbonylContact O-C 3.48Å; L375-Y421 WeakPolarHBondContact O-CA 3.48Å; P402-Y421 HydrophobicContact CB-CD2 4.41Å; P402-Y421 HydrophobicContact CB-CE2 3.57Å; P402-Y421 HydrophobicContact CG-CD2 3.84Å; P402-Y421 HydrophobicContact CG-CE2 3.36Å; K419-Y421 HydrophobicContact CB-CD1 4.2Å; K419-Y421 HydrophobicContact CB-CE1 3.89Å; K419-Y421 HydrophobicContact CG-CE1 4.4Å; K419-Y421 PolarHBondContact O-N 2.82Å
422	V	94.6	Very high	78.1	Confident	0 Å²	0	69 Å²	69	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	161.5	-178.2	68.9	0	0	0	0	109.4	L375 V378 L387 V399 E400 W401	L375-V422 HydrophobicContact CB-CG1 3.87Å; L375-V422 HydrophobicContact CD2-CG1 3.94Å; L375-V422 HydrophobicContact CG-CG1 4.39Å; L375-V422 PolarHBondContact N-O 2.77Å; L375-V422 PolarHBondContact O-N 2.86Å; V378-V422 HydrophobicContact CG1-CG1 3.95Å; L387-V422 HydrophobicContact CD1-CG1 3.92Å; L387-V422 HydrophobicContact CD1-CG2 4.21Å; L387-V422 HydrophobicContact CD2-CG1 4.44Å; V399-V422 HydrophobicContact CG1-CG2 3.37Å; E400-V422 WeakPolarHBondContact O-CG2 3.42Å; W401-V422 HydrophobicContact CD2-CB 4.35Å; W401-V422 HydrophobicContact CD2-CG2 3.58Å; W401-V422 HydrophobicContact CE3-CB 3.87Å; W401-V422 HydrophobicContact CE3-CG2 3.62Å; W401-V422 HydrophobicContact CG-CG2 4.12Å; W401-V422 HydrophobicContact CH2-CB 4.21Å; W401-V422 HydrophobicContact CH2-CG2 4.15Å; W401-V422 HydrophobicContact CZ2-CG2 4.1Å; W401-V422 HydrophobicContact CZ3-CB 3.8Å; W401-V422 HydrophobicContact CZ3-CG2 3.91Å
423	Y	95.4	Very high	80.4	Confident	38 Å²	38	68.8 Å²	68.8	15%	0.149	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.9	169.5	-60.1	-85	0	0	0	110.5	K372 V373 F374 V399 E400 Y529	K372-Y423 HydrophobicContact CG-CD1 4.35Å; V373-Y423 WeakPolarHBondContact O-CA 3.41Å; F374-Y423 HydrophobicContact CB-CD1 4.1Å; F374-Y423 HydrophobicContact CB-CE1 3.96Å; F374-Y423 HydrophobicContact CD2-CD1 4.38Å; F374-Y423 AromaticContact CD2-CE1 3.75Å; F374-Y423 HydrophobicContact CD2-CE1 3.75Å; F374-Y423 HydrophobicContact CG-CE1 4.36Å; V399-Y423 WeakPolarHBondContact CA-O 3.31Å; E400-Y423 PolarHBondContact N-O 3.02Å; E400-Y423 PolarHBondContact O-N 3.02Å; Y423-Y529 HydrophobicContact CD1-CE1 4.16Å; Y423-Y529 HydrophobicContact CE1-CD1 4.38Å; Y423-Y529 AromaticContact CE1-CE1 3.64Å; Y423-Y529 HydrophobicContact CE1-CE1 3.64Å
424	L	97	Very high	82.9	Confident	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	133.6	166.3	-52.9	-177.4	0	0	0	107.9	K372 V373 L375 F391 L397 V399 F426 L435	K372-L424 CarbonylContact C-O 3.49Å; K372-L424 VanDerWaalsContact CA-O 3.3Å; K372-L424 WeakPolarHBondContact CA-O 3.19Å; V373-L424 PolarHBondContact N-O 3.48Å; V373-L424 PolarHBondContact O-N 3.01Å; L375-L424 HydrophobicContact CB-CG 4.47Å; L375-L424 HydrophobicContact CD2-CD1 4.26Å; L375-L424 HydrophobicContact CD2-CD2 4.37Å; L375-L424 HydrophobicContact CD2-CG 4.39Å; F391-L424 HydrophobicContact CB-CD1 4.29Å; F391-L424 HydrophobicContact CD1-CD1 4.01Å; F391-L424 HydrophobicContact CD2-CD1 3.59Å; F391-L424 HydrophobicContact CD2-CD2 4.17Å; F391-L424 HydrophobicContact CE1-CD1 4.26Å; F391-L424 HydrophobicContact CE2-CD1 3.87Å; F391-L424 HydrophobicContact CG-CD1 3.69Å; F391-L424 HydrophobicContact CZ-CD1 4.19Å; L397-L424 HydrophobicContact CD1-CB 4.18Å; L397-L424 HydrophobicContact CD1-CD1 4.49Å; L397-L424 HydrophobicContact CD1-CD2 3.84Å; L397-L424 HydrophobicContact CD1-CG 4.39Å; V399-L424 HydrophobicContact CG2-CD2 4.17Å; L424-F426 HydrophobicContact CB-CE2 4.14Å; L424-F426 HydrophobicContact CD1-CE2 4.34Å; L424-F426 HydrophobicContact CD1-CZ 4.47Å; L424-L435 HydrophobicContact CD1-CD2 4.46Å
425	V	97.6	Very high	85.5	Confident	9 Å²	9	56.5 Å²	56.5	6%	0.055	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	103.7	175.5	-174.9	0	0	0	0	108.3	K372 L397 S398 E400	K372-V425 HydrophobicContact CB-CG2 4.16Å; K372-V425 HydrophobicContact CD-CG2 3.91Å; K372-V425 HydrophobicContact CG-CG2 3.92Å; L397-V425 CarbonylContact C-O 3.52Å; L397-V425 WeakPolarHBondContact CA-O 3.1Å; L397-V425 WeakPolarHBondContact CB-O 3.44Å; S398-V425 PolarHBondContact N-O 3.27Å; S398-V425 PolarHBondContact O-N 2.64Å; E400-V425 HydrophobicContact CG-CG2 4.05Å
426	F	98.2	Very high	87.8	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	156.4	175	-69.5	-85.9	0	0	0	111.2	C371 F391 F394 S396 L397 L424 S431 V432 L435	C371-F426 VanDerWaalsContact CB-O 3.22Å; C371-F426 WeakPolarHBondContact CB-O 3.32Å; C371-F426 PolarHBondContact O-N 2.94Å; F391-F426 HydrophobicContact CB-CZ 4.33Å; F394-F426 HydrophobicContact CB-CE1 4.11Å; F394-F426 HydrophobicContact CB-CZ 4.49Å; S396-F426 WeakPolarHBondContact O-CA 3.48Å; L397-F426 HydrophobicContact CB-CD1 3.79Å; L397-F426 HydrophobicContact CB-CE1 4Å; L397-F426 HydrophobicContact CB-CG 4.23Å; L397-F426 HydrophobicContact CD2-CE1 4.04Å; L397-F426 HydrophobicContact CG-CE1 4.46Å; L424-F426 HydrophobicContact CB-CE2 4.14Å; L424-F426 HydrophobicContact CD1-CE2 4.34Å; L424-F426 HydrophobicContact CD1-CZ 4.47Å; F426-S431 VanDerWaalsContact CD1-CB 3.47Å; F426-V432 HydrophobicContact CB-CG2 4.38Å; F426-V432 HydrophobicContact CD2-CG2 3.69Å; F426-V432 HydrophobicContact CE2-CG2 4.37Å; F426-V432 HydrophobicContact CG-CG2 4.3Å; F426-L435 HydrophobicContact CE2-CD2 3.93Å; F426-L435 HydrophobicContact CZ-CD2 4.11Å
427	E	97.2	Very high	90	Very high	137 Å²	137	55.6 Å²	55.6	64%	0.64	27%	0.274	S	S	*	.	S	Bend	trans	-72.2	-32.2	170.3	-71.3	176.2	-179.1	0	0	112	S396	S396-E427 WeakPolarHBondContact CB-OE1 3.18Å; S396-E427 WeakPolarHBondContact CB-OE2 3.13Å; S396-E427 PolarHBondContact O-N 2.88Å; S396-E427 PolarHBondContact OG-OE2 2.67Å
428	L	97.4	Very high	92.1	Very high	87 Å²	87	50.5 Å²	50.5	46%	0.455	26%	0.257	S	S	.	.	S	Bend	trans	-130.6	133.2	-169.2	-57.7	174.4	0	0	0	111.5	K430 S431	L428-K430 HydrophobicContact CB-CG 4.03Å; L428-K430 PolarHBondContact O-N 2.84Å; L428-S431 VanDerWaalsContact O-CB 3.24Å; L428-S431 WeakPolarHBondContact O-CB 3Å; L428-S431 PolarHBondContact O-N 3.39Å
429	E	96.3	Very high	94	Very high	39 Å²	39	48.4 Å²	48.4	18%	0.182	24%	0.243	C	C	.	.	H	α-helix	trans	-62.6	-28.7	-178.2	-176.8	-84.2	163.6	0	0	113.1	I368 Y369 S431 V432 R433	I368-E429 HydrophobicContact CG2-CG 4.2Å; Y369-E429 PolarHBondContact N-OE1 2.93Å; Y369-E429 WeakPolarHBondContact O-CG 3.24Å; E429-S431 PolarHBondContact O-N 2.96Å; E429-V432 WeakPolarHBondContact O-CB 3.35Å; E429-V432 PolarHBondContact O-N 3.31Å; E429-V432 VanDerWaalsContact O-N 3.14Å; E429-R433 VanDerWaalsContact CD-CZ 3.44Å; E429-R433 VanDerWaalsContact CD-NH2 3.26Å; E429-R433 PolarHBondContact O-N 3.06Å; E429-R433 IonicContact OE1-CZ 3.04Å; E429-R433 IonicContact OE1-NE 3.54Å; E429-R433 IonicContact OE1-NH1 2.65Å; E429-R433 PolarHBondContact OE1-NH1 2.94Å; E429-R433 IonicContact OE1-NH2 2.98Å; E429-R433 PolarHBondContact OE1-NH2 3.39Å; E429-R433 IonicContact OE2-CZ 3.07Å; E429-R433 IonicContact OE2-NH1 2.8Å; E429-R433 PolarHBondContact OE2-NH1 3.24Å; E429-R433 IonicContact OE2-NH2 2.86Å; E429-R433 PolarHBondContact OE2-NH2 2.82Å
430	K	96.6	Very high	95.2	Very high	131 Å²	131	47.1 Å²	47.1	57%	0.57	25%	0.245	S	C	*	.	H	α-helix	trans	-59.2	-31.6	171.6	67.9	179.2	-178.1	-177.4	0	113.2	L428 V432 R433 S434	L428-K430 HydrophobicContact CB-CG 4.03Å; L428-K430 PolarHBondContact O-N 2.84Å; K430-V432 VanDerWaalsContact C-N 3.3Å; K430-V432 PolarHBondContact O-N 3.23Å; K430-R433 PolarHBondContact O-N 2.97Å; K430-S434 PolarHBondContact O-N 3.22Å; K430-S434 PolarHBondContact O-OG 2.84Å
431	S	98	Very high	95.1	Very high	5 Å²	5	50 Å²	50	4%	0.035	25%	0.249	C	C	.	.	H	α-helix	trans	-67.2	-33.6	178.3	-61.8	0	0	0	0	111.7	F394 F426 L428 E429 S434 L435	F394-S431 WeakPolarHBondContact O-CA 3.27Å; F394-S431 WeakPolarHBondContact O-CB 3.36Å; F394-S431 PolarHBondContact O-OG 3.35Å; F426-S431 VanDerWaalsContact CD1-CB 3.47Å; L428-S431 VanDerWaalsContact O-CB 3.24Å; L428-S431 WeakPolarHBondContact O-CB 3Å; L428-S431 PolarHBondContact O-N 3.39Å; E429-S431 PolarHBondContact O-N 2.96Å; S431-S434 PolarHBondContact O-N 3.11Å; S431-L435 PolarHBondContact O-N 3.13Å
432	V	97.3	Very high	94	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-65.7	-43.6	172.2	178.8	0	0	0	0	110.4	Y369 V373 F426 E429 K430 S434 L435 L436 P470	Y369-V432 HydrophobicContact CD2-CG1 4.43Å; Y369-V432 HydrophobicContact CG-CG1 4.12Å; V373-V432 HydrophobicContact CG2-CB 4.31Å; V373-V432 HydrophobicContact CG2-CG1 3.67Å; V373-V432 HydrophobicContact CG2-CG2 3.67Å; F426-V432 HydrophobicContact CB-CG2 4.38Å; F426-V432 HydrophobicContact CD2-CG2 3.69Å; F426-V432 HydrophobicContact CE2-CG2 4.37Å; F426-V432 HydrophobicContact CG-CG2 4.3Å; E429-V432 WeakPolarHBondContact O-CB 3.35Å; E429-V432 PolarHBondContact O-N 3.31Å; E429-V432 VanDerWaalsContact O-N 3.14Å; K430-V432 VanDerWaalsContact C-N 3.3Å; K430-V432 PolarHBondContact O-N 3.23Å; V432-S434 PolarHBondContact O-N 2.64Å; V432-L435 PolarHBondContact O-N 3.1Å; V432-L436 HydrophobicContact CG1-CD1 4.2Å; V432-L436 HydrophobicContact CG1-CG 4.46Å; V432-L436 WeakPolarHBondContact O-CG 3.44Å; V432-L436 PolarHBondContact O-N 3.16Å; V432-P470 HydrophobicContact CG1-CB 4.37Å
433	R	95.3	Very high	92.4	Very high	88 Å²	88	55.7 Å²	55.7	33%	0.332	29%	0.29	S	S	.	.	H	α-helix	trans	-59.4	-44.8	173.6	-64.7	-158.3	-168.1	82	6.7	112.4	P367 Y369 E429 K430 L435 L436 Q437	P367-R433 PolarHBondContact O-NE 2.64Å; P367-R433 PolarHBondContact O-NH2 2.8Å; Y369-R433 HydrophobicContact CD2-CG 3.97Å; Y369-R433 HydrophobicContact CE2-CG 4.07Å; E429-R433 VanDerWaalsContact CD-CZ 3.44Å; E429-R433 VanDerWaalsContact CD-NH2 3.26Å; E429-R433 PolarHBondContact O-N 3.06Å; E429-R433 IonicContact OE1-CZ 3.04Å; E429-R433 IonicContact OE1-NE 3.54Å; E429-R433 IonicContact OE1-NH1 2.65Å; E429-R433 PolarHBondContact OE1-NH1 2.94Å; E429-R433 IonicContact OE1-NH2 2.98Å; E429-R433 PolarHBondContact OE1-NH2 3.39Å; E429-R433 IonicContact OE2-CZ 3.07Å; E429-R433 IonicContact OE2-NH1 2.8Å; E429-R433 PolarHBondContact OE2-NH1 3.24Å; E429-R433 IonicContact OE2-NH2 2.86Å; E429-R433 PolarHBondContact OE2-NH2 2.82Å; K430-R433 PolarHBondContact O-N 2.97Å; R433-L435 VanDerWaalsContact C-N 3.33Å; R433-L435 PolarHBondContact O-N 3.13Å; R433-L436 PolarHBondContact O-N 3.31Å; R433-Q437 VanDerWaalsContact O-CG 3.3Å; R433-Q437 WeakPolarHBondContact O-CG 3.37Å; R433-Q437 PolarHBondContact O-N 3.11Å
434	S	96.9	Very high	90.6	Very high	49 Å²	49	60.9 Å²	60.9	34%	0.343	32%	0.32	S	S	.	.	H	α-helix	trans	-64.7	-35.2	178.2	-61.7	0	0	0	0	113	F394 K430 S431 V432 A438	F394-S434 WeakPolarHBondContact CE1-O 3.46Å; K430-S434 PolarHBondContact O-N 3.22Å; K430-S434 PolarHBondContact O-OG 2.84Å; S431-S434 PolarHBondContact O-N 3.11Å; V432-S434 PolarHBondContact O-N 2.64Å; S434-A438 PolarHBondContact O-N 2.93Å
435	L	96.9	Very high	88.7	Confident	1 Å²	1	62 Å²	62	1%	0.005	33%	0.328	C	S	.	.	H	α-helix	trans	-62.3	-50	170.3	169.1	60.1	0	0	0	111.2	F391 F394 L424 F426 S431 V432 R433 Q437 A438 C439 F454 V468	F391-L435 HydrophobicContact CD1-CD1 3.84Å; F391-L435 HydrophobicContact CE1-CD1 3.72Å; F394-L435 HydrophobicContact CD1-CB 4.46Å; F394-L435 HydrophobicContact CD2-CB 4.04Å; F394-L435 HydrophobicContact CD2-CD1 3.96Å; F394-L435 HydrophobicContact CE2-CB 4.41Å; F394-L435 HydrophobicContact CE2-CD1 3.63Å; F394-L435 HydrophobicContact CG-CB 4.07Å; F394-L435 HydrophobicContact CZ-CD1 4.16Å; L424-L435 HydrophobicContact CD1-CD2 4.46Å; F426-L435 HydrophobicContact CE2-CD2 3.93Å; F426-L435 HydrophobicContact CZ-CD2 4.11Å; S431-L435 PolarHBondContact O-N 3.13Å; V432-L435 PolarHBondContact O-N 3.1Å; R433-L435 VanDerWaalsContact C-N 3.33Å; R433-L435 PolarHBondContact O-N 3.13Å; L435-Q437 VanDerWaalsContact C-N 3.29Å; L435-Q437 PolarHBondContact O-N 2.98Å; L435-A438 CarbonylContact O-C 3.55Å; L435-A438 PolarHBondContact O-N 3.35Å; L435-C439 PolarHBondContact O-N 2.94Å; L435-C439 PolarHBondContact O-SG 3.24Å; L435-F454 HydrophobicContact CD1-CD2 4.16Å; L435-V468 HydrophobicContact CD2-CG1 4.05Å; L435-V468 HydrophobicContact CG-CG1 4.38Å
436	L	94.5	Very high	86.5	Confident	10 Å²	10	67.9 Å²	67.9	5%	0.052	37%	0.366	C	S	.	.	H	α-helix	trans	-63.5	-34.3	-179.1	-63.7	174.3	0	0	0	112.4	Y369 V432 R433 A438 C439 Y452 V468 P470	Y369-L436 HydrophobicContact CD1-CD1 4.29Å; Y369-L436 HydrophobicContact CD2-CD1 4.22Å; Y369-L436 HydrophobicContact CE1-CD1 3.77Å; Y369-L436 HydrophobicContact CE2-CD1 3.71Å; Y369-L436 HydrophobicContact CG-CD1 4.47Å; Y369-L436 VanDerWaalsContact CZ-CD1 3.43Å; V432-L436 HydrophobicContact CG1-CD1 4.2Å; V432-L436 HydrophobicContact CG1-CG 4.46Å; V432-L436 WeakPolarHBondContact O-CG 3.44Å; V432-L436 PolarHBondContact O-N 3.16Å; R433-L436 PolarHBondContact O-N 3.31Å; L436-A438 VanDerWaalsContact C-N 3.26Å; L436-A438 PolarHBondContact O-N 2.73Å; L436-C439 WeakPolarHBondContact O-CB 3.18Å; L436-C439 PolarHBondContact O-N 3.45Å; L436-Y452 HydrophobicContact CB-CD1 4.35Å; L436-Y452 HydrophobicContact CB-CE1 4.17Å; L436-Y452 HydrophobicContact CD2-CD1 4Å; L436-Y452 HydrophobicContact CD2-CD2 3.82Å; L436-Y452 HydrophobicContact CD2-CE1 4.33Å; L436-Y452 HydrophobicContact CD2-CE2 4.15Å; L436-Y452 HydrophobicContact CD2-CG 3.74Å; L436-V468 HydrophobicContact CD2-CG1 3.91Å; L436-P470 HydrophobicContact CD1-CB 3.94Å; L436-P470 HydrophobicContact CD1-CG 3.84Å; L436-P470 HydrophobicContact CD2-CB 4.21Å; L436-P470 HydrophobicContact CD2-CG 3.84Å; L436-P470 HydrophobicContact CG-CG 4.49Å
437	Q	93.7	Very high	84.5	Confident	159 Å²	159	70.9 Å²	70.9	74%	0.743	38%	0.382	S	S	*	.	H	α-helix	trans	-64.3	-28.1	172.5	-74.9	170.8	-20.7	0	0	113.4	R433 L435	R433-Q437 VanDerWaalsContact O-CG 3.3Å; R433-Q437 WeakPolarHBondContact O-CG 3.37Å; R433-Q437 PolarHBondContact O-N 3.11Å; L435-Q437 VanDerWaalsContact C-N 3.29Å; L435-Q437 PolarHBondContact O-N 2.98Å
438	A	95	Very high	82.4	Confident	52 Å²	52	66.4 Å²	66.4	43%	0.43	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-1.1	175.6	0	0	0	0	0	113.6	F394 S434 L435 L436 F454	F394-A438 HydrophobicContact CE1-CB 3.54Å; F394-A438 HydrophobicContact CZ-CB 3.63Å; S434-A438 PolarHBondContact O-N 2.93Å; L435-A438 CarbonylContact O-C 3.55Å; L435-A438 PolarHBondContact O-N 3.35Å; L436-A438 VanDerWaalsContact C-N 3.26Å; L436-A438 PolarHBondContact O-N 2.73Å; A438-F454 HydrophobicContact CB-CE2 4.46Å
439	C	94.5	Very high	80.7	Confident	8 Å²	8	64.5 Å²	64.5	5%	0.054	36%	0.363	C	S	.	.	S	Bend	trans	-87.4	140	175.6	-65.7	0	0	0	0	111.1	L435 L436 Y452 Y453	L435-C439 PolarHBondContact O-N 2.94Å; L435-C439 PolarHBondContact O-SG 3.24Å; L436-C439 WeakPolarHBondContact O-CB 3.18Å; L436-C439 PolarHBondContact O-N 3.45Å; C439-Y452 HydrophobicContact CB-CD1 3.98Å; C439-Y452 HydrophobicContact CB-CG 4.42Å; C439-Y453 CarbonylContact C-O 3.58Å; C439-Y453 VanDerWaalsContact CA-O 3.28Å; C439-Y453 WeakPolarHBondContact CA-O 3.5Å; C439-Y453 WeakPolarHBondContact CB-O 3.31Å
440	S	91.3	Very high	79.3	Confident	63 Å²	63	65 Å²	65	44%	0.441	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	133.7	159.7	47.1	0	0	0	0	108.9	Y453	S440-Y453 PolarHBondContact N-O 3.41Å; S440-Y453 PolarHBondContact O-N 2.96Å; S440-Y453 PolarHBondContact OG-O 3.49Å; S440-Y453 VanDerWaalsContact OG-O 3.04Å
441	H	82.5	Confident	78.7	Confident	95 Å²	95	61.4 Å²	61.4	44%	0.44	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	149.1	173.5	61.6	-79.8	0	0	0	108.6	P443 E451 Y452	H441-P443 VanDerWaalsContact O-CD 3.32Å; H441-P443 WeakPolarHBondContact O-CD 3.42Å; H441-E451 WeakPolarHBondContact CA-O 3.46Å; H441-Y452 HydrophobicContact CB-CD1 3.81Å; H441-Y452 HydrophobicContact CB-CE1 4.04Å
442	D	68.5	Low	78.4	Confident	91 Å²	91	63.1 Å²	63.1	49%	0.487	36%	0.362	S	S	.	.			trans	-89.3	111.9	171.4	-171.1	-7.4	0	0	0	109.8	L444	D442-L444 PolarHBondContact O-N 2.81Å; D442-L444 WeakPolarHBondContact OD1-CB 3.26Å; D442-L444 PolarHBondContact OD1-N 2.93Å
443	P	60.9	Low	78.3	Confident	101 Å²	101	67 Å²	67	66%	0.656	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-10	176.5	32.6	-36.2	0	0	0	113.4	H441	H441-P443 VanDerWaalsContact O-CD 3.32Å; H441-P443 WeakPolarHBondContact O-CD 3.42Å
444	L	56.3	Low	78.3	Confident	148 Å²	148	64.2 Å²	64.2	78%	0.775	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	8.8	-179.1	-66.1	165.7	0	0	0	113.2	D442 P446	D442-L444 PolarHBondContact O-N 2.81Å; D442-L444 WeakPolarHBondContact OD1-CB 3.26Å; D442-L444 PolarHBondContact OD1-N 2.93Å; L444-P446 WeakPolarHBondContact O-CD 3.31Å; L444-P446 VanDerWaalsContact O-N 3.12Å
445	S	58.8	Low	78.1	Confident	24 Å²	24	67.9 Å²	67.9	17%	0.168	38%	0.377	C	S	.	.			trans	-49.8	112.8	173.7	174.8	0	0	0	0	111.4	D447 G448 L449	S445-D447 PolarHBondContact O-N 2.68Å; S445-D447 VanDerWaalsContact O-N 3.14Å; S445-G448 PolarHBondContact O-N 3.19Å; S445-G448 VanDerWaalsContact O-N 3.1Å; S445-L449 WeakPolarHBondContact CB-O 3.43Å; S445-L449 PolarHBondContact OG-O 2.93Å
446	P	51.3	Low	77.9	Confident	131 Å²	131	68 Å²	68	85%	0.851	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-16.4	-172.6	25.9	-34.7	0	0	0	113.8	L444	L444-P446 WeakPolarHBondContact O-CD 3.31Å; L444-P446 VanDerWaalsContact O-N 3.12Å
447	D	54.8	Low	77.8	Confident	69 Å²	69	70.3 Å²	70.3	37%	0.369	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.3	177.2	-62.2	-52.4	0	0	0	113.5	S445 L449 K559	S445-D447 PolarHBondContact O-N 2.68Å; S445-D447 VanDerWaalsContact O-N 3.14Å; D447-L449 PolarHBondContact O-N 3Å; D447-K559 WeakPolarHBondContact OD2-CE 3.39Å; D447-K559 IonicContact OD2-NZ 2.93Å; D447-K559 PolarHBondContact OD2-NZ 3.14Å
448	G	52.9	Low	77.5	Confident	43 Å²	43	63.7 Å²	63.7	44%	0.443	37%	0.366	S	S	.	.	S	Bend	trans	67.4	-3.8	-175.9	0	0	0	0	0	115	S445 S450	S445-G448 PolarHBondContact O-N 3.19Å; S445-G448 VanDerWaalsContact O-N 3.1Å; G448-S450 PolarHBondContact O-N 3.44Å
449	L	62.3	Low	77.2	Confident	48 Å²	48	71.1 Å²	71.1	25%	0.251	38%	0.383	S	S	.	.			trans	-83.5	106.5	171.9	-173	71.2	0	0	0	108.6	S445 D447 E451 M500	S445-L449 WeakPolarHBondContact CB-O 3.43Å; S445-L449 PolarHBondContact OG-O 2.93Å; D447-L449 PolarHBondContact O-N 3Å; L449-E451 PolarHBondContact O-N 2.69Å; L449-E451 VanDerWaalsContact O-N 3.15Å; L449-M500 HydrophobicContact CD2-CE 3.76Å
450	S	66.9	Low	76.8	Confident	48 Å²	48	80 Å²	80	34%	0.336	42%	0.415	S	S	.	.			trans	-65.8	109.9	170.4	-55.5	0	0	0	0	109.7	G448 Y452	G448-S450 PolarHBondContact O-N 3.44Å; S450-Y452 VanDerWaalsContact O-CD2 3.3Å; S450-Y452 WeakPolarHBondContact O-CD2 3.37Å; S450-Y452 WeakPolarHBondContact O-CE2 3.44Å
451	E	84.1	Confident	76.6	Confident	56 Å²	56	79.7 Å²	79.7	26%	0.262	41%	0.408	S	S	.	.			trans	-85.7	113.3	175.1	-60.4	-172.2	-176.4	0	0	108.3	H441 L449 Y453 K559	H441-E451 WeakPolarHBondContact CA-O 3.46Å; L449-E451 PolarHBondContact O-N 2.69Å; L449-E451 VanDerWaalsContact O-N 3.15Å; E451-Y453 HydrophobicContact CB-CE2 3.81Å; E451-Y453 PolarHBondContact OE2-OH 2.94Å; E451-K559 IonicContact OE1-NZ 3.44Å; E451-K559 PolarHBondContact OE1-NZ 3.33Å
452	Y	91.4	Very high	76.9	Confident	41 Å²	41	85.7 Å²	85.7	16%	0.161	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	134.9	-177.6	-61.1	-88.3	0	0	0	110.7	L436 C439 H441 S450 V468 P470	L436-Y452 HydrophobicContact CB-CD1 4.35Å; L436-Y452 HydrophobicContact CB-CE1 4.17Å; L436-Y452 HydrophobicContact CD2-CD1 4Å; L436-Y452 HydrophobicContact CD2-CD2 3.82Å; L436-Y452 HydrophobicContact CD2-CE1 4.33Å; L436-Y452 HydrophobicContact CD2-CE2 4.15Å; L436-Y452 HydrophobicContact CD2-CG 3.74Å; C439-Y452 HydrophobicContact CB-CD1 3.98Å; C439-Y452 HydrophobicContact CB-CG 4.42Å; H441-Y452 HydrophobicContact CB-CD1 3.81Å; H441-Y452 HydrophobicContact CB-CE1 4.04Å; S450-Y452 VanDerWaalsContact O-CD2 3.3Å; S450-Y452 WeakPolarHBondContact O-CD2 3.37Å; S450-Y452 WeakPolarHBondContact O-CE2 3.44Å; Y452-V468 PolarHBondContact O-N 3.45Å; Y452-P470 HydrophobicContact CD2-CG 4.37Å; Y452-P470 HydrophobicContact CE2-CG 4.33Å
453	Y	94.4	Very high	77.9	Confident	81 Å²	81	85.6 Å²	85.6	32%	0.318	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	138.7	176.7	-66.3	-90	0	0	0	110.6	C439 S440 E451 V466 Q467	C439-Y453 CarbonylContact C-O 3.58Å; C439-Y453 VanDerWaalsContact CA-O 3.28Å; C439-Y453 WeakPolarHBondContact CA-O 3.5Å; C439-Y453 WeakPolarHBondContact CB-O 3.31Å; S440-Y453 PolarHBondContact N-O 3.41Å; S440-Y453 PolarHBondContact O-N 2.96Å; S440-Y453 PolarHBondContact OG-O 3.49Å; S440-Y453 VanDerWaalsContact OG-O 3.04Å; E451-Y453 HydrophobicContact CB-CE2 3.81Å; E451-Y453 PolarHBondContact OE2-OH 2.94Å; Y453-V466 WeakPolarHBondContact CA-O 3.4Å; Y453-Q467 HydrophobicContact CD1-CB 4.29Å; Y453-Q467 HydrophobicContact CE1-CB 4.01Å; Y453-Q467 HydrophobicContact CE1-CG 4.07Å
454	F	95.3	Very high	79.4	Confident	31 Å²	31	83.6 Å²	83.6	14%	0.136	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	140.1	176.3	-173.5	-97	0	0	0	109.9	T390 F391 F394 L435 A438 M456 E465 V466 V468	T390-F454 HydrophobicContact CG2-CE1 3.76Å; T390-F454 HydrophobicContact CG2-CZ 4.41Å; F391-F454 AromaticContact CE1-CD1 3.59Å; F391-F454 HydrophobicContact CE1-CD1 3.59Å; F391-F454 AromaticContact CE1-CE1 3.7Å; F391-F454 HydrophobicContact CE1-CE1 3.7Å; F391-F454 HydrophobicContact CE1-CG 4.07Å; F391-F454 HydrophobicContact CE1-CZ 4.26Å; F391-F454 AromaticContact CZ-CD1 3.76Å; F391-F454 HydrophobicContact CZ-CD1 3.76Å; F391-F454 HydrophobicContact CZ-CE1 4.03Å; F394-F454 HydrophobicContact CE2-CE2 4.15Å; F394-F454 HydrophobicContact CE2-CZ 4.29Å; F394-F454 AromaticContact CZ-CE2 3.92Å; F394-F454 HydrophobicContact CZ-CE2 3.92Å; F394-F454 HydrophobicContact CZ-CZ 4.36Å; L435-F454 HydrophobicContact CD1-CD2 4.16Å; A438-F454 HydrophobicContact CB-CE2 4.46Å; F454-M456 HydrophobicContact CD1-CB 4.21Å; F454-M456 HydrophobicContact CE1-CB 4.21Å; F454-E465 WeakPolarHBondContact O-CA 3.35Å; F454-V466 HydrophobicContact CB-CG2 4.1Å; F454-V466 HydrophobicContact CD1-CG2 4.44Å; F454-V466 PolarHBondContact N-O 3.34Å; F454-V466 VanDerWaalsContact O-CG2 3.29Å; F454-V466 WeakPolarHBondContact O-CG2 3.4Å; F454-V466 PolarHBondContact O-N 3.28Å; F454-V468 HydrophobicContact CB-CG2 3.81Å
455	K	94.4	Very high	81.1	Confident	125 Å²	125	81.3 Å²	81.3	54%	0.543	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	117.4	177.6	-77.2	175.4	177.2	167.4	0	110.1	E465	K455-E465 HydrophobicContact CD-CG 4.3Å; K455-E465 VanDerWaalsContact CE-CD 3.43Å; K455-E465 WeakPolarHBondContact CE-OE1 3.47Å; K455-E465 HydrophobicContact CG-CG 3.69Å; K455-E465 IonicContact NZ-OE1 3.27Å; K455-E465 PolarHBondContact NZ-OE1 2.78Å
456	M	92.6	Very high	82.8	Confident	4 Å²	4	80.2 Å²	80.2	2%	0.02	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	160.1	175.1	72.9	171.9	-57.3	0	0	112.8	P379 I382 L387 T390 F391 F454 C463 K464 V466	P379-M456 HydrophobicContact CG-CG 4.34Å; P379-M456 HydrophobicContact CG-SD 4.46Å; I382-M456 HydrophobicContact CD1-CE 3.54Å; I382-M456 HydrophobicContact CG1-CE 3.76Å; L387-M456 HydrophobicContact CD2-CE 3.89Å; L387-M456 HydrophobicContact CD2-SD 4.17Å; T390-M456 HydrophobicContact CG2-CB 4.21Å; T390-M456 HydrophobicContact CG2-CE 4.49Å; F391-M456 HydrophobicContact CE2-SD 4.42Å; F454-M456 HydrophobicContact CD1-CB 4.21Å; F454-M456 HydrophobicContact CE1-CB 4.21Å; M456-C463 CarbonylContact O-C 3.52Å; M456-C463 PolarHBondContact O-N 2.96Å; M456-K464 PolarHBondContact N-O 2.78Å; M456-K464 PolarHBondContact O-N 3.07Å; M456-V466 HydrophobicContact CG-CG1 3.82Å; M456-V466 HydrophobicContact CG-CG2 4.01Å; M456-V466 HydrophobicContact SD-CG1 3.91Å; M456-V466 HydrophobicContact SD-CG2 4.06Å
457	S	90.8	Very high	84.8	Confident	58 Å²	58	77 Å²	77	41%	0.406	36%	0.364	S	S	.	.			trans	-122.7	144.9	176.3	-60.5	0	0	0	0	110.9	M461 C463	S457-M461 CarbonylContact C-O 3.58Å; S457-M461 WeakPolarHBondContact CA-O 3.41Å; S457-C463 PolarHBondContact OG-N 2.98Å
458	S	89.2	Confident	86.8	Confident	21 Å²	21	73.8 Å²	73.8	15%	0.147	35%	0.347	C	S	.	.			trans	-111.1	-165.8	168	68.2	0	0	0	0	110.1	P379 D381 M461	P379-S458 WeakPolarHBondContact CB-OG 3.33Å; D381-S458 WeakPolarHBondContact OD1-CB 3.39Å; D381-S458 PolarHBondContact OD1-OG 2.8Å; D381-S458 WeakPolarHBondContact OD2-CB 3.42Å; D381-S458 PolarHBondContact OD2-OG 3.05Å; D381-S458 VanDerWaalsContact OD2-OG 3.08Å; S458-M461 PolarHBondContact N-O 3.01Å; S458-M461 WeakPolarHBondContact OG-CB 3.3Å; S458-M461 PolarHBondContact OG-N 3.32Å; S458-M461 PolarHBondContact OG-O 2.65Å
459	R	87.4	Confident	88.7	Confident	207 Å²	207	74.9 Å²	74.9	78%	0.781	34%	0.342	S	S	*	.	S	Bend	trans	-73.5	-33.4	178.5	-71.2	178.8	-71	-174.1	-4.6	111.8	D381	D381-R459 WeakPolarHBondContact OD2-CB 3.06Å; D381-R459 PolarHBondContact OD2-N 2.8Å
460	R	86.9	Confident	90.2	Very high	194 Å²	194	73.7 Å²	73.7	73%	0.732	34%	0.337	S	S	*	.	S	Bend	trans	-109.7	-21.3	-176.5	-61.7	-175.1	-179.5	-154.1	2.6	114.3	D381	D381-R460 PolarHBondContact OD2-N 3.46Å
461	M	86.8	Confident	91.5	Very high	58 Å²	58	71.9 Å²	71.9	29%	0.286	32%	0.323	S	S	.	.			trans	-116.4	121.8	178.5	-52.5	-168	74	0	0	109.9	P379 S457 S458 K464	P379-M461 HydrophobicContact CB-CB 4.19Å; P379-M461 HydrophobicContact CB-CG 4.27Å; P379-M461 HydrophobicContact CB-SD 3.96Å; S457-M461 CarbonylContact C-O 3.58Å; S457-M461 WeakPolarHBondContact CA-O 3.41Å; S458-M461 PolarHBondContact N-O 3.01Å; S458-M461 WeakPolarHBondContact OG-CB 3.3Å; S458-M461 PolarHBondContact OG-N 3.32Å; S458-M461 PolarHBondContact OG-O 2.65Å; M461-K464 HydrophobicContact CE-CD 3.8Å; M461-K464 HydrophobicContact CE-CG 4.34Å; M461-K464 HydrophobicContact SD-CD 3.93Å
462	R	89.6	Confident	92	Very high	220 Å²	220	69.7 Å²	69.7	83%	0.83	31%	0.313	S	S	*	.			trans	-100.6	143.2	175.7	-66.6	179.8	179.5	163.4	-0.8	110.2	K464	R462-K464 PolarHBondContact O-N 2.78Å; R462-K464 VanDerWaalsContact O-N 3.12Å
463	C	88.6	Confident	92.2	Very high	89 Å²	89	69.8 Å²	69.8	60%	0.601	32%	0.317	S	S	*	.	S	Bend	trans	51	35.7	173.1	-55.6	0	0	0	0	114.6	M456 S457 E465	M456-C463 CarbonylContact O-C 3.52Å; M456-C463 PolarHBondContact O-N 2.96Å; S457-C463 PolarHBondContact OG-N 2.98Å; C463-E465 PolarHBondContact O-N 3.39Å
464	K	91.9	Very high	92.2	Very high	60 Å²	60	69.4 Å²	69.4	26%	0.261	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	127	175.8	-164.2	-173.6	-171.8	-172.4	0	108.9	G377 V378 P379 M456 M461 R462	G377-K464 WeakPolarHBondContact O-CD 3.16Å; G377-K464 WeakPolarHBondContact O-CE 3.49Å; G377-K464 PolarHBondContact O-NZ 3.14Å; V378-K464 PolarHBondContact O-NZ 3.42Å; P379-K464 HydrophobicContact CB-CD 4.31Å; P379-K464 HydrophobicContact CG-CB 4.26Å; P379-K464 HydrophobicContact CG-CD 3.89Å; M456-K464 PolarHBondContact N-O 2.78Å; M456-K464 PolarHBondContact O-N 3.07Å; M461-K464 HydrophobicContact CE-CD 3.8Å; M461-K464 HydrophobicContact CE-CG 4.34Å; M461-K464 HydrophobicContact SD-CD 3.93Å; R462-K464 PolarHBondContact O-N 2.78Å; R462-K464 VanDerWaalsContact O-N 3.12Å
465	E	92.9	Very high	92.2	Very high	100 Å²	100	68.4 Å²	68.4	47%	0.467	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	126.9	168.4	-73.2	169.9	158.4	0	0	109.3	F454 K455 C463	F454-E465 WeakPolarHBondContact O-CA 3.35Å; K455-E465 HydrophobicContact CD-CG 4.3Å; K455-E465 VanDerWaalsContact CE-CD 3.43Å; K455-E465 WeakPolarHBondContact CE-OE1 3.47Å; K455-E465 HydrophobicContact CG-CG 3.69Å; K455-E465 IonicContact NZ-OE1 3.27Å; K455-E465 PolarHBondContact NZ-OE1 2.78Å; C463-E465 PolarHBondContact O-N 3.39Å
466	V	94.3	Very high	92.3	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	136.7	175	-62.8	0	0	0	0	108.6	L375 G376 V378 Y453 F454 M456	L375-V466 HydrophobicContact CD1-CB 4.15Å; L375-V466 HydrophobicContact CD1-CG2 3.66Å; L375-V466 HydrophobicContact CG-CB 4.4Å; L375-V466 HydrophobicContact CG-CG2 4.24Å; G376-V466 CarbonylContact O-C 3.56Å; G376-V466 WeakPolarHBondContact O-CA 3.46Å; G376-V466 WeakPolarHBondContact O-CB 3.38Å; V378-V466 HydrophobicContact CG1-CG1 4.33Å; Y453-V466 WeakPolarHBondContact CA-O 3.4Å; F454-V466 HydrophobicContact CB-CG2 4.1Å; F454-V466 HydrophobicContact CD1-CG2 4.44Å; F454-V466 PolarHBondContact N-O 3.34Å; F454-V466 VanDerWaalsContact O-CG2 3.29Å; F454-V466 WeakPolarHBondContact O-CG2 3.4Å; F454-V466 PolarHBondContact O-N 3.28Å; M456-V466 HydrophobicContact CG-CG1 3.82Å; M456-V466 HydrophobicContact CG-CG2 4.01Å; M456-V466 HydrophobicContact SD-CG1 3.91Å; M456-V466 HydrophobicContact SD-CG2 4.06Å
467	Q	94.1	Very high	92.5	Very high	63 Å²	63	67 Å²	67	29%	0.294	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	127.6	-178	-168.5	-176.9	35.5	0	0	109.4	L375 G376 Y453 I469	L375-Q467 CarbonylContact C-O 3.52Å; L375-Q467 WeakPolarHBondContact CA-O 3.29Å; G376-Q467 PolarHBondContact N-O 3.3Å; G376-Q467 PolarHBondContact O-N 3.2Å; Y453-Q467 HydrophobicContact CD1-CB 4.29Å; Y453-Q467 HydrophobicContact CE1-CB 4.01Å; Y453-Q467 HydrophobicContact CE1-CG 4.07Å; Q467-I469 HydrophobicContact CG-CD1 4.4Å; Q467-I469 HydrophobicContact CG-CG1 4.03Å
468	V	95.2	Very high	92.7	Very high	2 Å²	2	66.9 Å²	66.9	1%	0.012	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	115.1	177.6	-176.4	0	0	0	0	107.9	V373 L375 L435 L436 Y452 F454	V373-V468 HydrophobicContact CG1-CG1 3.64Å; L375-V468 HydrophobicContact CD1-CG2 3.75Å; L435-V468 HydrophobicContact CD2-CG1 4.05Å; L435-V468 HydrophobicContact CG-CG1 4.38Å; L436-V468 HydrophobicContact CD2-CG1 3.91Å; Y452-V468 PolarHBondContact O-N 3.45Å; F454-V468 HydrophobicContact CB-CG2 3.81Å
469	I	93.1	Very high	92.9	Very high	67 Å²	67	69.5 Å²	69.5	34%	0.344	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	101.5	177.9	-53.1	-178.3	0	0	0	108.4	F374 Q467	F374-I469 HydrophobicContact CB-CB 4.24Å; F374-I469 HydrophobicContact CD1-CB 4.05Å; F374-I469 HydrophobicContact CD1-CD1 3.78Å; F374-I469 HydrophobicContact CD1-CG1 3.96Å; F374-I469 HydrophobicContact CE1-CD1 3.98Å; F374-I469 PolarHBondContact N-O 3.33Å; F374-I469 PolarHBondContact O-N 3.42Å; Q467-I469 HydrophobicContact CG-CD1 4.4Å; Q467-I469 HydrophobicContact CG-CG1 4.03Å
470	P	94.3	Very high	93.1	Very high	22 Å²	22	66.5 Å²	66.5	14%	0.143	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	156.5	172.9	35.5	-36.3	0	0	0	110.8	Y369 V432 L436 Y452	Y369-P470 HydrophobicContact CD1-CB 3.68Å; Y369-P470 HydrophobicContact CD1-CG 4.21Å; Y369-P470 HydrophobicContact CE1-CB 3.89Å; Y369-P470 HydrophobicContact CE1-CG 3.9Å; Y369-P470 HydrophobicContact CG-CB 4.5Å; V432-P470 HydrophobicContact CG1-CB 4.37Å; L436-P470 HydrophobicContact CD1-CB 3.94Å; L436-P470 HydrophobicContact CD1-CG 3.84Å; L436-P470 HydrophobicContact CD2-CB 4.21Å; L436-P470 HydrophobicContact CD2-CG 3.84Å; L436-P470 HydrophobicContact CG-CG 4.49Å; Y452-P470 HydrophobicContact CD2-CG 4.37Å; Y452-P470 HydrophobicContact CE2-CG 4.33Å
471	W	95	Very high	93.1	Very high	10 Å²	10	59.6 Å²	59.6	4%	0.038	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	129.2	168.2	-173.3	-106.2	0	0	0	111	Y369 S370 D475 S476 N502 I522 Y529 P530	Y369-W471 CarbonylContact C-O 3.58Å; Y369-W471 VanDerWaalsContact CA-O 3.24Å; Y369-W471 WeakPolarHBondContact CA-O 3.49Å; S370-W471 PolarHBondContact N-O 3.41Å; W471-D475 HydrophobicContact CH2-CB 3.82Å; W471-D475 HydrophobicContact CZ2-CB 3.44Å; W471-D475 VanDerWaalsContact CZ2-CB 3.44Å; W471-D475 HydrophobicContact CZ3-CB 4.47Å; W471-S476 PolarHBondContact NE1-OG 3.02Å; W471-N502 HydrophobicContact CH2-CB 4.24Å; W471-I522 HydrophobicContact CZ2-CG1 4.44Å; W471-Y529 HydrophobicContact CB-CD2 3.8Å; W471-Y529 HydrophobicContact CB-CE2 3.68Å; W471-P530 VanDerWaalsContact CD2-CD 3.48Å; W471-P530 HydrophobicContact CD2-CG 3.34Å; W471-P530 HydrophobicContact CE3-CG 3.53Å; W471-P530 HydrophobicContact CG-CG 3.98Å; W471-P530 HydrophobicContact CH2-CG 3.58Å; W471-P530 HydrophobicContact CZ2-CG 3.42Å; W471-P530 VanDerWaalsContact CZ2-CG 3.42Å; W471-P530 HydrophobicContact CZ3-CG 3.64Å
472	V	94.9	Very high	92.8	Very high	10 Å²	10	63 Å²	63	6%	0.061	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	127.6	175.6	-178	0	0	0	0	109	Y364 P367 Y369 A474 D475	Y364-V472 HydrophobicContact CD1-CG1 3.88Å; Y364-V472 HydrophobicContact CD1-CG2 4.48Å; Y364-V472 HydrophobicContact CD2-CG2 4.29Å; Y364-V472 HydrophobicContact CE1-CB 4.12Å; Y364-V472 HydrophobicContact CE1-CG1 3.87Å; Y364-V472 HydrophobicContact CE1-CG2 4.23Å; Y364-V472 HydrophobicContact CE2-CG2 4.03Å; Y364-V472 HydrophobicContact CG-CG1 4.47Å; P367-V472 HydrophobicContact CB-CG1 4Å; P367-V472 HydrophobicContact CB-CG2 4.2Å; Y369-V472 HydrophobicContact CD1-CG2 3.92Å; Y369-V472 HydrophobicContact CE1-CG2 3.69Å; V472-A474 HydrophobicContact CG1-CB 4.18Å; V472-A474 PolarHBondContact O-N 2.74Å; V472-A474 VanDerWaalsContact O-N 3.11Å; V472-D475 WeakPolarHBondContact O-CB 3.38Å; V472-D475 PolarHBondContact O-N 3.33Å
473	L	95.4	Very high	92.3	Very high	44 Å²	44	58 Å²	58	23%	0.23	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-63.1	-24.3	-174	-61.8	-173.9	0	0	0	114.1	I368 D475 S476 K528	I368-L473 HydrophobicContact CG2-CD1 3.79Å; I368-L473 HydrophobicContact CG2-CG 4.41Å; I368-L473 PolarHBondContact O-N 3.17Å; L473-D475 VanDerWaalsContact C-N 3.32Å; L473-S476 PolarHBondContact O-N 2.96Å; L473-K528 HydrophobicContact CD1-CD 4.19Å; L473-K528 HydrophobicContact CD2-CB 3.63Å; L473-K528 HydrophobicContact CD2-CD 4.01Å; L473-K528 HydrophobicContact CD2-CG 4.48Å
474	A	94.1	Very high	91.8	Very high	72 Å²	72	57.3 Å²	57.3	60%	0.595	32%	0.316	S	S	*	.	G	3₁₀ helix	trans	-68.3	-29	174.7	0	0	0	0	0	112.9	V472 S476 N477	V472-A474 HydrophobicContact CG1-CB 4.18Å; V472-A474 PolarHBondContact O-N 2.74Å; V472-A474 VanDerWaalsContact O-N 3.11Å; A474-S476 PolarHBondContact O-N 2.92Å; A474-S476 VanDerWaalsContact O-N 3.17Å; A474-N477 PolarHBondContact O-N 3.13Å
475	D	94.8	Very high	91.4	Very high	11 Å²	11	65.7 Å²	65.7	6%	0.059	35%	0.346	C	S	.	.	G	3₁₀ helix	trans	-65.2	-18.3	178.9	-79.7	-24.5	0	0	0	113	R362 Y364 W471 V472 L473 N477 N502 A503	R362-D475 IonicContact CZ-OD2 3.39Å; R362-D475 IonicContact NH1-OD1 2.78Å; R362-D475 IonicContact NH1-OD2 2.84Å; R362-D475 PolarHBondContact NH1-OD2 3.36Å; Y364-D475 PolarHBondContact OH-OD1 2.89Å; Y364-D475 PolarHBondContact OH-OD2 2.93Å; W471-D475 HydrophobicContact CH2-CB 3.82Å; W471-D475 HydrophobicContact CZ2-CB 3.44Å; W471-D475 VanDerWaalsContact CZ2-CB 3.44Å; W471-D475 HydrophobicContact CZ3-CB 4.47Å; V472-D475 WeakPolarHBondContact O-CB 3.38Å; V472-D475 PolarHBondContact O-N 3.33Å; L473-D475 VanDerWaalsContact C-N 3.32Å; D475-N477 VanDerWaalsContact C-N 3.33Å; D475-N477 PolarHBondContact O-N 2.73Å; D475-N502 HydrophobicContact CB-CB 3.55Å; D475-N502 PolarHBondContact OD1-ND2 3.42Å; D475-A503 VanDerWaalsContact O-CB 3.28Å; D475-A503 WeakPolarHBondContact O-CB 3.44Å; D475-A503 PolarHBondContact O-N 3.47Å
476	S	96.7	Very high	91.3	Very high	7 Å²	7	64.9 Å²	64.9	5%	0.049	34%	0.344	C	S	.	.	G	3₁₀ helix	trans	-73.9	-18.8	-176.2	-61.5	0	0	0	0	114.1	W471 L473 A474 G521 I522	W471-S476 PolarHBondContact NE1-OG 3.02Å; L473-S476 PolarHBondContact O-N 2.96Å; A474-S476 PolarHBondContact O-N 2.92Å; A474-S476 VanDerWaalsContact O-N 3.17Å; S476-G521 CarbonylContact O-C 3.43Å; S476-G521 VanDerWaalsContact O-CA 3.31Å; S476-G521 WeakPolarHBondContact O-CA 3.41Å; S476-I522 PolarHBondContact O-N 3.36Å
477	N	95.8	Very high	91	Very high	93 Å²	93	67 Å²	67	50%	0.497	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	132.6	-175.7	-61.7	-86.6	0	0	0	112	A474 D475 Y519	A474-N477 PolarHBondContact O-N 3.13Å; D475-N477 VanDerWaalsContact C-N 3.33Å; D475-N477 PolarHBondContact O-N 2.73Å; N477-Y519 PolarHBondContact OD1-OH 3.46Å
478	F	95.8	Very high	90.7	Very high	55 Å²	55	66.2 Å²	66.2	24%	0.241	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	126.6	171.7	172.2	-91.4	0	0	0	109.3	R480 A503 E504 A507 Y519 A520	F478-R480 HydrophobicContact CE1-CB 4.17Å; F478-R480 HydrophobicContact CZ-CB 4.48Å; F478-A503 HydrophobicContact CB-CB 3.8Å; F478-E504 HydrophobicContact CB-CB 4.47Å; F478-E504 HydrophobicContact CD2-CB 3.87Å; F478-E504 HydrophobicContact CD2-CG 3.89Å; F478-E504 HydrophobicContact CE2-CG 4.1Å; F478-E504 HydrophobicContact CG-CB 4.42Å; F478-A507 HydrophobicContact CB-CB 4.5Å; F478-A507 HydrophobicContact CD1-CB 3.32Å; F478-A507 HydrophobicContact CE1-CB 3.63Å; F478-A507 HydrophobicContact CG-CB 3.97Å; F478-A507 HydrophobicContact CZ-CB 4.48Å; F478-Y519 WeakPolarHBondContact O-CA 3.43Å; F478-Y519 WeakPolarHBondContact O-CD2 3.44Å; F478-A520 PolarHBondContact N-O 2.94Å; F478-A520 PolarHBondContact O-N 2.81Å
479	V	94.3	Very high	90.5	Very high	76 Å²	76	69.1 Å²	69.1	46%	0.461	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	118.9	178.5	179.2	0	0	0	0	108.3	Y519	V479-Y519 HydrophobicContact CG2-CD2 3.86Å; V479-Y519 HydrophobicContact CG2-CE2 4.33Å
480	R	90.5	Very high	90.6	Very high	144 Å²	144	69.7 Å²	69.7	54%	0.543	37%	0.374	S	S	.	.	S	Bend	trans	-71.4	-34.2	179.9	-169.9	174.7	-172.5	147.5	5.3	112.9	F478 N511 V517 V518	F478-R480 HydrophobicContact CE1-CB 4.17Å; F478-R480 HydrophobicContact CZ-CB 4.48Å; R480-N511 PolarHBondContact NH1-OD1 2.89Å; R480-V517 WeakPolarHBondContact CD-O 3.2Å; R480-V518 WeakPolarHBondContact CB-O 3.22Å; R480-V518 PolarHBondContact N-O 2.75Å
481	S	87.4	Confident	90.8	Very high	49 Å²	49	69.1 Å²	69.1	34%	0.343	37%	0.37	S	S	.	.			trans	-147.2	110.5	-178.7	-65.6	0	0	0	0	110.2	S483 Q484	S481-S483 PolarHBondContact O-N 3.43Å; S481-Q484 WeakPolarHBondContact O-CB 3.37Å; S481-Q484 PolarHBondContact O-N 3.3Å
482	P	80.6	Confident	90.9	Very high	129 Å²	129	68.7 Å²	68.7	84%	0.838	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-21	-174.4	-27.6	35.7	0	0	0	115.9	Q484	P482-Q484 VanDerWaalsContact C-N 3.33Å
483	S	78.6	Confident	91	Very high	115 Å²	115	71.2 Å²	71.2	80%	0.804	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-9.7	178.1	52.2	0	0	0	0	114.1	S481 R485	S481-S483 PolarHBondContact O-N 3.43Å; S483-R485 PolarHBondContact O-N 2.63Å
484	Q	78.7	Confident	91.1	Very high	75 Å²	75	69.1 Å²	69.1	35%	0.35	37%	0.368	S	S	.	.	P	Polyproline II helix	trans	-82.6	119	-173.6	-174	155.3	7.6	0	0	111.8	S481 P482 L486 V518	S481-Q484 WeakPolarHBondContact O-CB 3.37Å; S481-Q484 PolarHBondContact O-N 3.3Å; P482-Q484 VanDerWaalsContact C-N 3.33Å; Q484-L486 PolarHBondContact O-N 3.32Å; Q484-V518 VanDerWaalsContact OE1-CG1 3.26Å
485	R	83.5	Confident	91.2	Very high	236 Å²	236	66.1 Å²	66.1	89%	0.891	34%	0.344	S	S	*	.	P	Polyproline II helix	trans	-67	131.3	170.2	-66.2	-174	179.1	-174.5	-0.2	109.9	S483	S483-R485 PolarHBondContact O-N 2.63Å
486	L	89.6	Confident	91.1	Very high	83 Å²	83	67.6 Å²	67.6	44%	0.435	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-81.8	142.5	175.3	-53.6	-175.6	0	0	0	110	Q484 Y519 T537	Q484-L486 PolarHBondContact O-N 3.32Å; L486-Y519 HydrophobicContact CD1-CD1 3.66Å; L486-Y519 HydrophobicContact CD1-CD2 3.96Å; L486-Y519 HydrophobicContact CD1-CE1 4.02Å; L486-Y519 HydrophobicContact CD1-CE2 4.28Å; L486-Y519 HydrophobicContact CD1-CG 3.62Å; L486-Y519 VanDerWaalsContact CD2-CB 3.5Å; L486-Y519 HydrophobicContact CD2-CD1 4.5Å; L486-Y519 HydrophobicContact CD2-CG 4.02Å; L486-Y519 HydrophobicContact CG-CG 4.5Å; L486-T537 HydrophobicContact CB-CG2 4.48Å; L486-T537 HydrophobicContact CD2-CG2 4.35Å
487	D	87.9	Confident	91.1	Very high	43 Å²	43	68 Å²	68	23%	0.23	36%	0.359	C	S	.	.			trans	-122.4	113.4	-176.4	-178	-10.5	0	0	0	109.3	S489 R490 T491	D487-S489 PolarHBondContact O-N 2.95Å; D487-S489 WeakPolarHBondContact OD1-CB 3.44Å; D487-S489 PolarHBondContact OD1-N 3.31Å; D487-S489 PolarHBondContact OD1-OG 3.15Å; D487-S489 PolarHBondContact OD2-OG 2.95Å; D487-S489 VanDerWaalsContact OD2-OG 3.11Å; D487-R490 PolarHBondContact O-N 2.83Å; D487-R490 VanDerWaalsContact O-N 3.11Å; D487-R490 IonicContact OD2-CZ 2.74Å; D487-R490 IonicContact OD2-NE 3.73Å; D487-R490 PolarHBondContact OD2-NE 3.17Å; D487-R490 IonicContact OD2-NH2 2.72Å; D487-R490 PolarHBondContact OD2-NH2 2.92Å; D487-T491 PolarHBondContact O-N 2.99Å; D487-T491 PolarHBondContact O-OG1 3.36Å
488	P	88.6	Confident	90.9	Very high	48 Å²	48	66.4 Å²	66.4	31%	0.312	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-55.8	-34.1	178	-27.2	36.4	0	0	0	113.4	R490 T491 Y569 E571	P488-R490 PolarHBondContact O-N 3.35Å; P488-R490 VanDerWaalsContact O-N 3.13Å; P488-T491 WeakPolarHBondContact O-CB 3.42Å; P488-T491 PolarHBondContact O-N 3.07Å; P488-Y569 HydrophobicContact CB-CD1 4.42Å; P488-E571 HydrophobicContact CB-CG 4.14Å; P488-E571 WeakPolarHBondContact CB-OE1 3.47Å; P488-E571 VanDerWaalsContact CG-OE1 3.25Å; P488-E571 WeakPolarHBondContact CG-OE1 3.43Å
489	S	91.7	Very high	90.6	Very high	63 Å²	63	66.7 Å²	66.7	44%	0.441	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-67	-15.3	-179.5	73	0	0	0	0	114.4	D487	D487-S489 PolarHBondContact O-N 2.95Å; D487-S489 WeakPolarHBondContact OD1-CB 3.44Å; D487-S489 PolarHBondContact OD1-N 3.31Å; D487-S489 PolarHBondContact OD1-OG 3.15Å; D487-S489 PolarHBondContact OD2-OG 2.95Å; D487-S489 VanDerWaalsContact OD2-OG 3.11Å
490	R	95.3	Very high	90.3	Very high	79 Å²	79	65.7 Å²	65.7	30%	0.298	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-114.6	17.4	174.6	-71.9	175.9	-80.7	176.7	-6.4	112.4	D487 P488 F538 N539 Q541	D487-R490 PolarHBondContact O-N 2.83Å; D487-R490 VanDerWaalsContact O-N 3.11Å; D487-R490 IonicContact OD2-CZ 2.74Å; D487-R490 IonicContact OD2-NE 3.73Å; D487-R490 PolarHBondContact OD2-NE 3.17Å; D487-R490 IonicContact OD2-NH2 2.72Å; D487-R490 PolarHBondContact OD2-NH2 2.92Å; P488-R490 PolarHBondContact O-N 3.35Å; P488-R490 VanDerWaalsContact O-N 3.13Å; R490-F538 WeakPolarHBondContact CB-O 3.44Å; R490-F538 PolarHBondContact O-N 3.22Å; R490-N539 PolarHBondContact NH1-O 2.92Å; R490-Q541 VanDerWaalsContact CG-OE1 3.29Å
491	T	97	Very high	90.5	Very high	10 Å²	10	59 Å²	59	6%	0.061	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	133.1	-180	-59.5	0	0	0	0	110.8	D487 P488 R535 V536 T537 Y544 Y569	D487-T491 PolarHBondContact O-N 2.99Å; D487-T491 PolarHBondContact O-OG1 3.36Å; P488-T491 WeakPolarHBondContact O-CB 3.42Å; P488-T491 PolarHBondContact O-N 3.07Å; T491-R535 HydrophobicContact CG2-CB 4.18Å; T491-V536 CarbonylContact C-O 3.5Å; T491-V536 WeakPolarHBondContact CA-O 3.37Å; T491-T537 WeakPolarHBondContact OG1-CG2 3.17Å; T491-T537 PolarHBondContact OG1-OG1 3.09Å; T491-Y544 WeakPolarHBondContact O-CE2 3.24Å; T491-Y569 HydrophobicContact CG2-CD1 4.5Å; T491-Y569 HydrophobicContact CG2-CG 4.14Å; T491-Y569 WeakPolarHBondContact O-CB 3.47Å; T491-Y569 PolarHBondContact O-N 3.06Å; T491-Y569 VanDerWaalsContact O-N 3.1Å
492	V	97.5	Very high	90.8	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	146.7	170.3	-61.1	0	0	0	0	110.6	V494 R535 V536 F538 Y544 A547 V548 I566 D567	V492-V494 HydrophobicContact CG2-CG2 4.1Å; V492-R535 VanDerWaalsContact O-CA 3.3Å; V492-R535 WeakPolarHBondContact O-CA 3.32Å; V492-V536 HydrophobicContact CG2-CB 3.98Å; V492-V536 PolarHBondContact N-O 3.01Å; V492-V536 PolarHBondContact O-N 3.15Å; V492-F538 HydrophobicContact CG1-CE2 3.96Å; V492-F538 HydrophobicContact CG2-CE2 3.84Å; V492-Y544 HydrophobicContact CG1-CD2 3.65Å; V492-Y544 HydrophobicContact CG1-CE2 3.78Å; V492-A547 HydrophobicContact CG1-CB 4.36Å; V492-V548 HydrophobicContact CG1-CG2 3.67Å; V492-I566 HydrophobicContact CB-CG2 3.76Å; V492-I566 HydrophobicContact CG1-CG2 3.97Å; V492-I566 HydrophobicContact CG2-CG2 3.92Å; V492-D567 CarbonylContact C-O 3.5Å; V492-D567 WeakPolarHBondContact CA-O 3.41Å; V492-D567 WeakPolarHBondContact CB-O 3.38Å
493	F	97.3	Very high	91.6	Very high	64 Å²	64	50.7 Å²	50.7	28%	0.281	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	139.8	161.7	176.7	-103.6	0	0	0	109.2	S533 I566 D567 Y569	F493-S533 VanDerWaalsContact CZ-CB 3.48Å; F493-I566 WeakPolarHBondContact O-CA 3.18Å; F493-D567 HydrophobicContact CD1-CB 4.39Å; F493-D567 PolarHBondContact N-O 3.09Å; F493-D567 PolarHBondContact O-N 3.35Å; F493-Y569 HydrophobicContact CB-CD2 4.45Å
494	V	97.5	Very high	92.4	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	115.3	175.2	-166.5	0	0	0	0	109.3	V492 L497 L506 L510 S533 G534 V536 V564 Q565 I566	V492-V494 HydrophobicContact CG2-CG2 4.1Å; V494-L497 HydrophobicContact CB-CD2 4.25Å; V494-L497 HydrophobicContact CG1-CD2 3.56Å; V494-L497 HydrophobicContact CG1-CG 4.39Å; V494-L506 HydrophobicContact CG1-CD1 4.36Å; V494-L510 HydrophobicContact CG2-CD1 4.13Å; V494-S533 CarbonylContact O-C 3.22Å; V494-S533 WeakPolarHBondContact O-CA 3.47Å; V494-S533 WeakPolarHBondContact O-CB 3.28Å; V494-G534 PolarHBondContact N-O 3.37Å; V494-G534 PolarHBondContact O-N 2.95Å; V494-V536 HydrophobicContact CG2-CG2 4.26Å; V494-V564 HydrophobicContact CG1-CB 4.18Å; V494-V564 HydrophobicContact CG1-CG2 4.2Å; V494-Q565 CarbonylContact C-O 3.48Å; V494-Q565 VanDerWaalsContact CA-O 3.26Å; V494-Q565 WeakPolarHBondContact CA-O 3.28Å; V494-I566 HydrophobicContact CG1-CG1 4.44Å
495	G	95.3	Very high	93.3	Very high	9 Å²	9	46 Å²	46	9%	0.093	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	168.2	178.5	0	0	0	0	0	113.4	L497 Q565	G495-L497 VanDerWaalsContact C-N 3.26Å; G495-L497 PolarHBondContact O-N 3.06Å; G495-Q565 PolarHBondContact N-O 2.72Å; G495-Q565 PolarHBondContact O-N 3.28Å
496	A	93.9	Very high	93.9	Very high	41 Å²	41	34.8 Å²	34.8	34%	0.339	20%	0.201	S	C	.	.	S	Bend	trans	59.4	29.2	179	0	0	0	0	0	114.9	A346 G532 K562	A346-A496 HydrophobicContact CB-CB 4.09Å; A496-G532 PolarHBondContact N-O 3.46Å; A496-K562 WeakPolarHBondContact O-CE 3.38Å
497	L	95.6	Very high	94.3	Very high	17 Å²	17	31 Å²	31	9%	0.089	18%	0.182	C	C	.	.			trans	-59.1	141	177.2	-63.7	-177.8	0	0	0	111.5	V494 G495 L501 L506 I522 G532 S533 V564	V494-L497 HydrophobicContact CB-CD2 4.25Å; V494-L497 HydrophobicContact CG1-CD2 3.56Å; V494-L497 HydrophobicContact CG1-CG 4.39Å; G495-L497 VanDerWaalsContact C-N 3.26Å; G495-L497 PolarHBondContact O-N 3.06Å; L497-L501 HydrophobicContact CD2-CD1 4.04Å; L497-L506 HydrophobicContact CD1-CD2 4.03Å; L497-L506 HydrophobicContact CD2-CD1 3.97Å; L497-L506 HydrophobicContact CD2-CD2 4.34Å; L497-I522 HydrophobicContact CD1-CD1 3.77Å; L497-G532 PolarHBondContact N-O 3.34Å; L497-S533 VanDerWaalsContact CD1-C 3.47Å; L497-V564 HydrophobicContact CD2-CB 4.48Å; L497-V564 HydrophobicContact CD2-CG1 4.04Å
498	H	92.8	Very high	94.8	Very high	59 Å²	59	30.5 Å²	30.5	27%	0.273	18%	0.183	S	C	.	.			trans	-74.5	144.9	173	-165.3	-112.5	0	0	0	111	M500 L501 F560 K562	H498-M500 PolarHBondContact O-N 2.96Å; H498-L501 HydrophobicContact CB-CD1 4.32Å; H498-L501 HydrophobicContact CB-CG 4.38Å; H498-L501 WeakPolarHBondContact O-CB 3.48Å; H498-L501 PolarHBondContact O-N 3.2Å; H498-F560 HydrophobicContact CB-CD2 3.89Å; H498-F560 HydrophobicContact CB-CE2 3.64Å; H498-F560 HydrophobicContact CB-CG 4.46Å; H498-F560 HydrophobicContact CB-CZ 4Å; H498-F560 AromaticContact CE1-CD1 3.65Å; H498-F560 AromaticContact CE1-CG 3.52Å; H498-F560 AromaticContact CG-CD2 3.62Å; H498-F560 AromaticContact CG-CE2 3.86Å; H498-F560 AromaticContact CG-CG 3.77Å; H498-F560 AromaticContact ND1-CD1 3.24Å; H498-F560 WeakPolarHBondContact ND1-CD1 3.33Å; H498-F560 AromaticContact ND1-CD2 3.61Å; H498-F560 AromaticContact ND1-CE1 3.57Å; H498-F560 AromaticContact ND1-CE2 3.92Å; H498-F560 AromaticContact ND1-CG 3.27Å; H498-F560 VanDerWaalsContact ND1-CG 3.27Å; H498-F560 WeakPolarHBondContact ND1-CG 3.47Å; H498-F560 AromaticContact ND1-CZ 3.91Å; H498-K562 HydrophobicContact CB-CB 4.2Å; H498-K562 HydrophobicContact CB-CG 4.19Å
499	G	89.4	Confident	95.2	Very high	61 Å²	61	28.2 Å²	28.2	63%	0.629	17%	0.169	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-11.1	-177.7	0	0	0	0	0	115.5
500	M	88.7	Confident	95.5	Very high	54 Å²	54	25.3 Å²	25.3	27%	0.266	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-8.1	175.3	-56.9	-173.6	81.1	0	0	113.9	R362 L449 H498 K559 F560	R362-M500 PolarHBondContact NH2-O 2.83Å; L449-M500 HydrophobicContact CD2-CE 3.76Å; H498-M500 PolarHBondContact O-N 2.96Å; M500-K559 HydrophobicContact CE-CB 4.35Å; M500-K559 HydrophobicContact CE-CD 3.67Å; M500-K559 HydrophobicContact SD-CB 4.13Å; M500-F560 HydrophobicContact CB-CD1 4.21Å; M500-F560 HydrophobicContact CB-CE1 3.89Å; M500-F560 HydrophobicContact SD-CD1 4.02Å
501	L	93.5	Very high	95.6	Very high	4 Å²	4	23.8 Å²	23.8	2%	0.021	15%	0.146	C	C	.	.			trans	-81.4	124.9	176.2	-69	172.4	0	0	0	110.4	L359 L497 H498 A505 I509 I555 F560	L359-L501 HydrophobicContact CD1-CD2 4.24Å; L359-L501 HydrophobicContact CD2-CD2 4.25Å; L497-L501 HydrophobicContact CD2-CD1 4.04Å; H498-L501 HydrophobicContact CB-CD1 4.32Å; H498-L501 HydrophobicContact CB-CG 4.38Å; H498-L501 WeakPolarHBondContact O-CB 3.48Å; H498-L501 PolarHBondContact O-N 3.2Å; L501-A505 HydrophobicContact CD2-CB 4.15Å; L501-I509 HydrophobicContact CD2-CD1 3.75Å; L501-I555 HydrophobicContact CD1-CD1 3.81Å; L501-F560 HydrophobicContact CD2-CZ 3.95Å; L501-F560 HydrophobicContact CG-CZ 3.97Å
502	N	94.6	Very high	95.6	Very high	4 Å²	4	28.2 Å²	28.2	2%	0.021	17%	0.169	C	C	.	.			trans	-100.7	174.2	164.2	64.8	-0.8	0	0	0	110.5	W471 D475 E504 A505 L506	W471-N502 HydrophobicContact CH2-CB 4.24Å; D475-N502 HydrophobicContact CB-CB 3.55Å; D475-N502 PolarHBondContact OD1-ND2 3.42Å; N502-E504 VanDerWaalsContact C-N 3.3Å; N502-E504 PolarHBondContact O-N 3.08Å; N502-A505 PolarHBondContact O-N 3.13Å; N502-A505 WeakPolarHBondContact OD1-CB 3.47Å; N502-A505 PolarHBondContact OD1-N 3.33Å; N502-L506 WeakPolarHBondContact O-CB 3.32Å; N502-L506 PolarHBondContact O-N 3.42Å
503	A	97.3	Very high	95.6	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-60.6	-37.8	-179.2	0	0	0	0	0	112.8	D475 F478 L506 A507 A520 I522	D475-A503 VanDerWaalsContact O-CB 3.28Å; D475-A503 WeakPolarHBondContact O-CB 3.44Å; D475-A503 PolarHBondContact O-N 3.47Å; F478-A503 HydrophobicContact CB-CB 3.8Å; A503-L506 PolarHBondContact O-N 3.16Å; A503-A507 WeakPolarHBondContact O-CB 3.25Å; A503-A507 PolarHBondContact O-N 2.88Å; A503-A520 HydrophobicContact CB-CB 4.37Å; A503-A520 WeakPolarHBondContact CB-O 3.36Å; A503-A520 VanDerWaalsContact O-CB 3.31Å; A503-A520 WeakPolarHBondContact O-CB 3.26Å; A503-I522 HydrophobicContact CB-CG1 4.2Å
504	E	95.6	Very high	95.6	Very high	90 Å²	90	27.2 Å²	27.2	42%	0.421	17%	0.166	S	C	.	.	H	α-helix	trans	-65.9	-47.9	178.4	-178.5	171.9	-148.4	0	0	112.1	P360 F478 N502 L506 A507 A508	P360-E504 HydrophobicContact CB-CG 4.34Å; P360-E504 HydrophobicContact CG-CG 4.39Å; F478-E504 HydrophobicContact CB-CB 4.47Å; F478-E504 HydrophobicContact CD2-CB 3.87Å; F478-E504 HydrophobicContact CD2-CG 3.89Å; F478-E504 HydrophobicContact CE2-CG 4.1Å; F478-E504 HydrophobicContact CG-CB 4.42Å; N502-E504 VanDerWaalsContact C-N 3.3Å; N502-E504 PolarHBondContact O-N 3.08Å; E504-L506 VanDerWaalsContact C-N 3.34Å; E504-L506 PolarHBondContact O-N 3.29Å; E504-A507 PolarHBondContact O-N 2.72Å; E504-A508 PolarHBondContact O-N 3.02Å
505	A	95.9	Very high	95.6	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.008	18%	0.178	C	C	.	.	H	α-helix	trans	-59.3	-44.4	174	0	0	0	0	0	111.8	L359 L501 N502 A507 A508 I509	L359-A505 HydrophobicContact CB-CB 4.48Å; L359-A505 HydrophobicContact CD1-CB 4.45Å; L359-A505 HydrophobicContact CD2-CB 4.21Å; L501-A505 HydrophobicContact CD2-CB 4.15Å; N502-A505 PolarHBondContact O-N 3.13Å; N502-A505 WeakPolarHBondContact OD1-CB 3.47Å; N502-A505 PolarHBondContact OD1-N 3.33Å; A505-A507 VanDerWaalsContact C-N 3.32Å; A505-A507 PolarHBondContact O-N 3.43Å; A505-A508 PolarHBondContact O-N 3.41Å; A505-I509 WeakPolarHBondContact O-CB 3.23Å; A505-I509 WeakPolarHBondContact O-CD1 3.42Å; A505-I509 WeakPolarHBondContact O-CG1 3.47Å; A505-I509 PolarHBondContact O-N 3.11Å
506	L	97.8	Very high	95.6	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	18%	0.181	C	C	.	.	H	α-helix	trans	-62.4	-39.3	177	-177.8	61.5	0	0	0	112	V494 L497 N502 A503 E504 L510 I522 V536	V494-L506 HydrophobicContact CG1-CD1 4.36Å; L497-L506 HydrophobicContact CD1-CD2 4.03Å; L497-L506 HydrophobicContact CD2-CD1 3.97Å; L497-L506 HydrophobicContact CD2-CD2 4.34Å; N502-L506 WeakPolarHBondContact O-CB 3.32Å; N502-L506 PolarHBondContact O-N 3.42Å; A503-L506 PolarHBondContact O-N 3.16Å; E504-L506 VanDerWaalsContact C-N 3.34Å; E504-L506 PolarHBondContact O-N 3.29Å; L506-L510 HydrophobicContact CD1-CD1 3.66Å; L506-L510 HydrophobicContact CD1-CG 4.26Å; L506-L510 HydrophobicContact CG-CD1 4.07Å; L506-L510 WeakPolarHBondContact O-CB 3.41Å; L506-L510 WeakPolarHBondContact O-CG 3.35Å; L506-L510 PolarHBondContact O-N 3.42Å; L506-I522 HydrophobicContact CD2-CD1 4.01Å; L506-V536 HydrophobicContact CD2-CG2 3.79Å; L506-V536 HydrophobicContact CG-CG2 3.84Å
507	A	97.6	Very high	95.8	Very high	3 Å²	3	26.9 Å²	26.9	3%	0.025	17%	0.166	C	C	.	.	H	α-helix	trans	-65.7	-43.4	175.5	0	0	0	0	0	112.3	F478 A503 E504 A505 N511 V517 A520	F478-A507 HydrophobicContact CB-CB 4.5Å; F478-A507 HydrophobicContact CD1-CB 3.32Å; F478-A507 HydrophobicContact CE1-CB 3.63Å; F478-A507 HydrophobicContact CG-CB 3.97Å; F478-A507 HydrophobicContact CZ-CB 4.48Å; A503-A507 WeakPolarHBondContact O-CB 3.25Å; A503-A507 PolarHBondContact O-N 2.88Å; E504-A507 PolarHBondContact O-N 2.72Å; A505-A507 VanDerWaalsContact C-N 3.32Å; A505-A507 PolarHBondContact O-N 3.43Å; A507-N511 WeakPolarHBondContact O-CB 3.09Å; A507-N511 PolarHBondContact O-N 3Å; A507-V517 HydrophobicContact CB-CG1 3.93Å; A507-A520 HydrophobicContact CB-CB 3.8Å
508	A	97	Very high	95.8	Very high	32 Å²	32	26.4 Å²	26.4	26%	0.264	16%	0.163	S	C	.	.	H	α-helix	trans	-61	-55	177.3	0	0	0	0	0	111.3	P360 E504 A505 L510 N511 D512	P360-A508 HydrophobicContact CG-CB 4.14Å; E504-A508 PolarHBondContact O-N 3.02Å; A505-A508 PolarHBondContact O-N 3.41Å; A508-L510 VanDerWaalsContact C-N 3.33Å; A508-L510 PolarHBondContact O-N 2.92Å; A508-N511 WeakPolarHBondContact O-CB 3.35Å; A508-N511 PolarHBondContact O-N 3.36Å; A508-N511 VanDerWaalsContact O-N 3.07Å; A508-D512 VanDerWaalsContact O-CG 3.28Å; A508-D512 PolarHBondContact O-N 2.82Å
509	I	97.8	Very high	96.1	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-52.9	-48.3	179.9	-68	166.9	0	0	0	111.7	W355 L359 L501 A505 D512 L513 I555	W355-I509 HydrophobicContact CB-CG2 4.06Å; W355-I509 HydrophobicContact CD2-CB 4.34Å; W355-I509 HydrophobicContact CD2-CG1 3.78Å; W355-I509 HydrophobicContact CD2-CG2 4.11Å; W355-I509 HydrophobicContact CE3-CD1 4.24Å; W355-I509 HydrophobicContact CE3-CG1 3.9Å; W355-I509 HydrophobicContact CG-CB 4.47Å; W355-I509 HydrophobicContact CG-CG1 4.42Å; W355-I509 HydrophobicContact CG-CG2 3.89Å; W355-I509 HydrophobicContact CH2-CD1 4.45Å; W355-I509 HydrophobicContact CH2-CG1 3.96Å; W355-I509 HydrophobicContact CZ2-CG1 3.84Å; W355-I509 HydrophobicContact CZ3-CD1 4.17Å; W355-I509 HydrophobicContact CZ3-CG1 3.98Å; L359-I509 HydrophobicContact CD2-CD1 4Å; L501-I509 HydrophobicContact CD2-CD1 3.75Å; A505-I509 WeakPolarHBondContact O-CB 3.23Å; A505-I509 WeakPolarHBondContact O-CD1 3.42Å; A505-I509 WeakPolarHBondContact O-CG1 3.47Å; A505-I509 PolarHBondContact O-N 3.11Å; I509-D512 PolarHBondContact O-N 3.27Å; I509-L513 HydrophobicContact CG2-CD1 4.3Å; I509-L513 WeakPolarHBondContact O-CG 3.07Å; I509-L513 PolarHBondContact O-N 2.8Å; I509-L513 VanDerWaalsContact O-N 3.16Å; I509-I555 HydrophobicContact CD1-CD1 4.08Å; I509-I555 HydrophobicContact CD1-CG1 4.47Å; I509-I555 HydrophobicContact CD1-CG2 3.89Å; I509-I555 HydrophobicContact CG2-CD1 4.24Å; I509-I555 HydrophobicContact CG2-CG1 4.17Å
510	L	97.9	Very high	96.5	Very high	1 Å²	1	22.2 Å²	22.2	1%	0.005	13%	0.127	C	C	.	.	H	α-helix	trans	-78	-25.1	-178.2	-65.6	173	0	0	0	112.8	V494 L506 A508 F514 V517 V536 I566	V494-L510 HydrophobicContact CG2-CD1 4.13Å; L506-L510 HydrophobicContact CD1-CD1 3.66Å; L506-L510 HydrophobicContact CD1-CG 4.26Å; L506-L510 HydrophobicContact CG-CD1 4.07Å; L506-L510 WeakPolarHBondContact O-CB 3.41Å; L506-L510 WeakPolarHBondContact O-CG 3.35Å; L506-L510 PolarHBondContact O-N 3.42Å; A508-L510 VanDerWaalsContact C-N 3.33Å; A508-L510 PolarHBondContact O-N 2.92Å; L510-F514 HydrophobicContact CB-CD2 4.37Å; L510-F514 HydrophobicContact CD2-CD2 3.75Å; L510-F514 HydrophobicContact CD2-CE2 3.53Å; L510-F514 WeakPolarHBondContact O-CB 3.48Å; L510-F514 PolarHBondContact O-N 2.85Å; L510-V517 HydrophobicContact CB-CG2 4.02Å; L510-V536 HydrophobicContact CD1-CB 4Å; L510-V536 HydrophobicContact CD1-CG1 4.05Å; L510-V536 HydrophobicContact CD1-CG2 3.6Å; L510-I566 HydrophobicContact CD2-CD1 3.71Å
511	N	97.3	Very high	96.9	Very high	47 Å²	47	19.8 Å²	19.8	25%	0.251	12%	0.115	S	C	.	.	H	α-helix	trans	-68.7	-38.5	169.6	-179.6	86.9	0	0	0	111.4	R480 A507 A508 G515 G516 V517	R480-N511 PolarHBondContact NH1-OD1 2.89Å; A507-N511 WeakPolarHBondContact O-CB 3.09Å; A507-N511 PolarHBondContact O-N 3Å; A508-N511 WeakPolarHBondContact O-CB 3.35Å; A508-N511 PolarHBondContact O-N 3.36Å; A508-N511 VanDerWaalsContact O-N 3.07Å; N511-G515 WeakPolarHBondContact O-CA 3.44Å; N511-G515 PolarHBondContact O-N 3.09Å; N511-G516 PolarHBondContact OD1-N 3.06Å; N511-V517 HydrophobicContact CB-CB 4.09Å; N511-V517 HydrophobicContact CB-CG2 4.04Å
512	D	97.5	Very high	97.1	Very high	103 Å²	103	20.1 Å²	20.1	55%	0.551	12%	0.117	S	C	*	.	H	α-helix	trans	-68.1	-43.3	177.8	-62.9	-14.2	0	0	0	111.6	W355 A508 I509	W355-D512 PolarHBondContact NE1-OD2 3.47Å; A508-D512 VanDerWaalsContact O-CG 3.28Å; A508-D512 PolarHBondContact O-N 2.82Å; I509-D512 PolarHBondContact O-N 3.27Å
513	L	97.4	Very high	97.2	Very high	28 Å²	28	20.8 Å²	20.8	15%	0.147	12%	0.12	C	C	.	.	H	α-helix	trans	-73.4	-41.5	-179.4	-70.4	173.9	0	0	0	113.8	W355 I509 K546 V553	W355-L513 HydrophobicContact CB-CD1 4.02Å; W355-L513 HydrophobicContact CB-CD2 4.11Å; W355-L513 HydrophobicContact CB-CG 4.13Å; I509-L513 HydrophobicContact CG2-CD1 4.3Å; I509-L513 WeakPolarHBondContact O-CG 3.07Å; I509-L513 PolarHBondContact O-N 2.8Å; I509-L513 VanDerWaalsContact O-N 3.16Å; L513-K546 PolarHBondContact O-NZ 2.84Å; L513-V553 HydrophobicContact CD1-CG1 3.43Å; L513-V553 VanDerWaalsContact CD1-CG1 3.43Å; L513-V553 HydrophobicContact CD1-CG2 4.24Å
514	F	97.9	Very high	97.1	Very high	15 Å²	15	23.4 Å²	23.4	7%	0.066	14%	0.136	C	C	.	.	H	α-helix	trans	-122.6	-18.4	-166.9	-53.1	-61.6	0	0	0	114.1	L510 F538 S543 K546 A547 A550 V553 I566	L510-F514 HydrophobicContact CB-CD2 4.37Å; L510-F514 HydrophobicContact CD2-CD2 3.75Å; L510-F514 HydrophobicContact CD2-CE2 3.53Å; L510-F514 WeakPolarHBondContact O-CB 3.48Å; L510-F514 PolarHBondContact O-N 2.85Å; F514-F538 HydrophobicContact CB-CE1 3.93Å; F514-F538 HydrophobicContact CB-CZ 4.3Å; F514-F538 HydrophobicContact CD2-CZ 4.45Å; F514-S543 WeakPolarHBondContact O-CB 3.24Å; F514-S543 PolarHBondContact O-OG 3.14Å; F514-K546 HydrophobicContact CD1-CB 4.1Å; F514-K546 HydrophobicContact CD1-CD 3.79Å; F514-K546 HydrophobicContact CD1-CG 3.71Å; F514-K546 HydrophobicContact CE1-CD 4.49Å; F514-K546 HydrophobicContact CE1-CG 4.13Å; F514-A547 HydrophobicContact CB-CB 4.45Å; F514-A547 HydrophobicContact CD1-CB 4.2Å; F514-A547 HydrophobicContact CD2-CB 3.7Å; F514-A547 HydrophobicContact CE1-CB 4.43Å; F514-A547 HydrophobicContact CE2-CB 3.94Å; F514-A547 HydrophobicContact CG-CB 3.84Å; F514-A547 HydrophobicContact CZ-CB 4.31Å; F514-A550 HydrophobicContact CE1-CB 3.71Å; F514-A550 HydrophobicContact CZ-CB 3.61Å; F514-V553 HydrophobicContact CE2-CG2 4.21Å; F514-V553 HydrophobicContact CZ-CG2 4.04Å; F514-I566 HydrophobicContact CE2-CD1 3.85Å; F514-I566 HydrophobicContact CZ-CD1 4.34Å
515	G	97	Very high	97	Very high	25 Å²	25	20.1 Å²	20.1	26%	0.258	12%	0.122	S	C	.	.			trans	74	158.6	-177.6	0	0	0	0	0	113.9	N511 V517 F538 S543	N511-G515 WeakPolarHBondContact O-CA 3.44Å; N511-G515 PolarHBondContact O-N 3.09Å; G515-V517 PolarHBondContact O-N 3.26Å; G515-F538 WeakPolarHBondContact O-CD1 3.35Å; G515-S543 WeakPolarHBondContact O-CB 3.46Å; G515-S543 PolarHBondContact O-OG 3.19Å
516	G	95.4	Very high	96.9	Very high	15 Å²	15	25.2 Å²	25.2	16%	0.155	14%	0.144	C	C	.	.			trans	71.7	22.2	163.6	0	0	0	0	0	116	N511 F538 N539	N511-G516 PolarHBondContact OD1-N 3.06Å; G516-F538 CarbonylContact O-C 3.59Å; G516-F538 WeakPolarHBondContact O-CA 3.15Å; G516-N539 WeakPolarHBondContact CA-OD1 3.48Å; G516-N539 PolarHBondContact O-N 3.34Å; G516-N539 PolarHBondContact O-OD1 2.94Å
517	V	97.3	Very high	96.8	Very high	3 Å²	3	27.4 Å²	27.4	2%	0.018	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	134.3	170.6	178	0	0	0	0	109.7	R480 A507 L510 N511 G515 V536 F538	R480-V517 WeakPolarHBondContact CD-O 3.2Å; A507-V517 HydrophobicContact CB-CG1 3.93Å; L510-V517 HydrophobicContact CB-CG2 4.02Å; N511-V517 HydrophobicContact CB-CB 4.09Å; N511-V517 HydrophobicContact CB-CG2 4.04Å; G515-V517 PolarHBondContact O-N 3.26Å; V517-V536 HydrophobicContact CB-CG1 4.37Å; V517-V536 HydrophobicContact CG1-CG1 3.64Å; V517-V536 HydrophobicContact CG2-CG1 3.83Å; V517-F538 HydrophobicContact CG2-CD1 3.9Å; V517-F538 HydrophobicContact CG2-CE1 3.54Å; V517-F538 HydrophobicContact CG2-CZ 4.34Å
518	V	96.8	Very high	96.7	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.042	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	-21.1	178.4	-64.4	0	0	0	0	113.8	R480 Q484 T537 N539	R480-V518 WeakPolarHBondContact CB-O 3.22Å; R480-V518 PolarHBondContact N-O 2.75Å; Q484-V518 VanDerWaalsContact OE1-CG1 3.26Å; V518-T537 HydrophobicContact CG2-CG2 4.3Å; V518-T537 WeakPolarHBondContact CG2-O 3.33Å; V518-T537 PolarHBondContact N-O 3.31Å; V518-N539 HydrophobicContact CG1-CB 3.73Å
519	Y	97.6	Very high	96.6	Very high	33 Å²	33	32.6 Å²	32.6	13%	0.129	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	143.1	174.5	166.8	-99.5	0	0	0	110.4	N477 F478 V479 L486 V536 T537	N477-Y519 PolarHBondContact OD1-OH 3.46Å; F478-Y519 WeakPolarHBondContact O-CA 3.43Å; F478-Y519 WeakPolarHBondContact O-CD2 3.44Å; V479-Y519 HydrophobicContact CG2-CD2 3.86Å; V479-Y519 HydrophobicContact CG2-CE2 4.33Å; L486-Y519 HydrophobicContact CD1-CD1 3.66Å; L486-Y519 HydrophobicContact CD1-CD2 3.96Å; L486-Y519 HydrophobicContact CD1-CE1 4.02Å; L486-Y519 HydrophobicContact CD1-CE2 4.28Å; L486-Y519 HydrophobicContact CD1-CG 3.62Å; L486-Y519 VanDerWaalsContact CD2-CB 3.5Å; L486-Y519 HydrophobicContact CD2-CD1 4.5Å; L486-Y519 HydrophobicContact CD2-CG 4.02Å; L486-Y519 HydrophobicContact CG-CG 4.5Å; Y519-V536 WeakPolarHBondContact O-CA 3.4Å; Y519-T537 PolarHBondContact N-O 3.5Å; Y519-T537 PolarHBondContact O-N 2.9Å
520	A	98.1	Very high	96.5	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	144.7	161.1	0	0	0	0	0	109.3	F478 A503 A507 R535 V536	F478-A520 PolarHBondContact N-O 2.94Å; F478-A520 PolarHBondContact O-N 2.81Å; A503-A520 HydrophobicContact CB-CB 4.37Å; A503-A520 WeakPolarHBondContact CB-O 3.36Å; A503-A520 VanDerWaalsContact O-CB 3.31Å; A503-A520 WeakPolarHBondContact O-CB 3.26Å; A507-A520 HydrophobicContact CB-CB 3.8Å; A520-R535 CarbonylContact C-O 3.56Å; A520-R535 WeakPolarHBondContact CA-O 3.47Å; A520-V536 HydrophobicContact CB-CG2 3.77Å
521	G	97.3	Very high	96.2	Very high	2 Å²	2	36.7 Å²	36.7	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	139.7	173	0	0	0	0	0	110.7	S476 G534 R535	S476-G521 CarbonylContact O-C 3.43Å; S476-G521 VanDerWaalsContact O-CA 3.31Å; S476-G521 WeakPolarHBondContact O-CA 3.41Å; G521-G534 CarbonylContact O-C 3.53Å; G521-G534 WeakPolarHBondContact O-CA 3.33Å; G521-R535 PolarHBondContact N-O 3.47Å; G521-R535 PolarHBondContact O-N 3.42Å
522	I	98.1	Very high	96.1	Very high	11 Å²	11	35.7 Å²	35.7	6%	0.056	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	129.7	170.2	-53.8	-58.5	0	0	0	107.6	W471 S476 L497 A503 L506 P530	W471-I522 HydrophobicContact CZ2-CG1 4.44Å; S476-I522 PolarHBondContact O-N 3.36Å; L497-I522 HydrophobicContact CD1-CD1 3.77Å; A503-I522 HydrophobicContact CB-CG1 4.2Å; L506-I522 HydrophobicContact CD2-CD1 4.01Å; I522-P530 HydrophobicContact CG2-CB 3.81Å; I522-P530 HydrophobicContact CG2-CG 4.11Å
523	D	96.2	Very high	96	Very high	19 Å²	19	31.2 Å²	31.2	10%	0.102	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	139.9	174.9	-62.4	-42.8	0	0	0	109.6	P530 I531 S533 G534 R535	D523-P530 WeakPolarHBondContact O-CA 3.45Å; D523-I531 HydrophobicContact CB-CD1 3.93Å; D523-I531 HydrophobicContact CB-CG1 3.79Å; D523-I531 WeakPolarHBondContact O-CG1 3.44Å; D523-I531 PolarHBondContact O-N 3.29Å; D523-S533 WeakPolarHBondContact CB-OG 3.27Å; D523-S533 PolarHBondContact N-O 2.98Å; D523-S533 PolarHBondContact OD2-OG 3.19Å; D523-G534 PolarHBondContact OD2-N 3.06Å; D523-R535 IonicContact OD1-CZ 3.75Å; D523-R535 IonicContact OD1-NE 2.67Å; D523-R535 PolarHBondContact OD1-NE 2.78Å; D523-R535 IonicContact OD1-NH2 3.17Å; D523-R535 PolarHBondContact OD1-NH2 3.43Å
524	T	95.9	Very high	96	Very high	54 Å²	54	29.9 Å²	29.9	33%	0.331	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	155	-173.4	56.4	0	0	0	0	113.1	Y529	T524-Y529 CarbonylContact C-O 3.55Å; T524-Y529 WeakPolarHBondContact CA-O 3.15Å; T524-Y529 WeakPolarHBondContact CB-O 3.39Å
525	D	93.8	Very high	95.9	Very high	21 Å²	21	33 Å²	33	11%	0.112	17%	0.174	C	C	.	.			trans	-76.9	-175.8	173.4	78.1	-3.7	0	0	0	112.7	K372 H527 K528 Y529 I531	K372-D525 WeakPolarHBondContact CD-OD2 3.49Å; K372-D525 IonicContact NZ-OD2 3.61Å; K372-D525 PolarHBondContact NZ-OD2 3.47Å; D525-H527 PolarHBondContact O-N 3.26Å; D525-H527 VanDerWaalsContact O-N 3.13Å; D525-H527 VanDerWaalsContact OD1-CA 3.32Å; D525-H527 WeakPolarHBondContact OD1-CA 3.5Å; D525-H527 WeakPolarHBondContact OD1-CB 3.41Å; D525-H527 IonicContact OD1-CG 3.19Å; D525-H527 PolarHBondContact OD1-N 3.33Å; D525-H527 IonicContact OD1-ND1 3.9Å; D525-H527 IonicContact OD2-ND1 3.31Å; D525-H527 PolarHBondContact OD2-ND1 3.3Å; D525-H527 VanDerWaalsContact OD2-ND1 3.17Å; D525-K528 WeakPolarHBondContact O-CA 3.44Å; D525-K528 PolarHBondContact O-N 2.81Å; D525-K528 PolarHBondContact OD1-N 2.79Å; D525-Y529 PolarHBondContact N-O 3.27Å; D525-Y529 WeakPolarHBondContact OD1-CB 3.49Å; D525-Y529 PolarHBondContact OD1-N 2.97Å; D525-I531 HydrophobicContact CB-CG2 4.04Å
526	K	93.6	Very high	96	Very high	108 Å²	108	31.9 Å²	31.9	47%	0.47	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-25.7	176	57.4	-160.4	173.6	-143.9	0	114.3	S244 D245 K528	S244-K526 WeakPolarHBondContact OG-CA 3.47Å; S244-K526 WeakPolarHBondContact OG-CB 3.17Å; S244-K526 PolarHBondContact OG-N 2.76Å; D245-K526 VanDerWaalsContact CG-NZ 3.3Å; D245-K526 IonicContact OD1-NZ 2.71Å; D245-K526 PolarHBondContact OD1-NZ 3.19Å; D245-K526 IonicContact OD2-NZ 3.19Å; D245-K526 PolarHBondContact OD2-NZ 3.12Å; K526-K528 VanDerWaalsContact C-N 3.29Å
527	H	94.4	Very high	96.1	Very high	47 Å²	47	31.4 Å²	31.4	22%	0.218	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	5.6	178.2	-45.8	112.1	0	0	0	112.3	S370 K372 E400 D525 Y529	S370-H527 PolarHBondContact OG-O 3.36Å; K372-H527 HydrophobicContact CB-CB 3.88Å; K372-H527 HydrophobicContact CD-CB 4.37Å; E400-H527 IonicContact OE1-CE1 3.65Å; D525-H527 PolarHBondContact O-N 3.26Å; D525-H527 VanDerWaalsContact O-N 3.13Å; D525-H527 VanDerWaalsContact OD1-CA 3.32Å; D525-H527 WeakPolarHBondContact OD1-CA 3.5Å; D525-H527 WeakPolarHBondContact OD1-CB 3.41Å; D525-H527 IonicContact OD1-CG 3.19Å; D525-H527 PolarHBondContact OD1-N 3.33Å; D525-H527 IonicContact OD1-ND1 3.9Å; D525-H527 IonicContact OD2-ND1 3.31Å; D525-H527 PolarHBondContact OD2-ND1 3.3Å; D525-H527 VanDerWaalsContact OD2-ND1 3.17Å; H527-Y529 PolarHBondContact O-N 2.84Å
528	K	95.5	Very high	96.1	Very high	124 Å²	124	31.3 Å²	31.3	54%	0.539	16%	0.155	S	C	.	.	S	Bend	trans	61.5	31.1	-172.1	-52.5	177.8	-178	177.5	0	112.8	L473 D525 K526	L473-K528 HydrophobicContact CD1-CD 4.19Å; L473-K528 HydrophobicContact CD2-CB 3.63Å; L473-K528 HydrophobicContact CD2-CD 4.01Å; L473-K528 HydrophobicContact CD2-CG 4.48Å; D525-K528 WeakPolarHBondContact O-CA 3.44Å; D525-K528 PolarHBondContact O-N 2.81Å; D525-K528 PolarHBondContact OD1-N 2.79Å; K526-K528 VanDerWaalsContact C-N 3.29Å
529	Y	95.6	Very high	96	Very high	21 Å²	21	34.3 Å²	34.3	8%	0.082	17%	0.171	C	C	.	.			trans	-98.3	139.4	177.1	-160.1	-88.5	0	0	0	111.4	K372 F374 Y423 W471 T524 D525 H527	K372-Y529 HydrophobicContact CB-CD2 3.71Å; K372-Y529 HydrophobicContact CB-CG 3.99Å; K372-Y529 HydrophobicContact CD-CD1 4.33Å; K372-Y529 HydrophobicContact CD-CD2 4.4Å; K372-Y529 HydrophobicContact CD-CG 3.91Å; K372-Y529 HydrophobicContact CG-CD1 4.32Å; K372-Y529 HydrophobicContact CG-CD2 3.7Å; K372-Y529 HydrophobicContact CG-CE2 4.29Å; K372-Y529 HydrophobicContact CG-CG 3.71Å; K372-Y529 WeakPolarHBondContact O-CD2 3.39Å; K372-Y529 WeakPolarHBondContact O-CE2 3.42Å; F374-Y529 VanDerWaalsContact CB-OH 3.28Å; F374-Y529 WeakPolarHBondContact CB-OH 3.36Å; Y423-Y529 HydrophobicContact CD1-CE1 4.16Å; Y423-Y529 HydrophobicContact CE1-CD1 4.38Å; Y423-Y529 AromaticContact CE1-CE1 3.64Å; Y423-Y529 HydrophobicContact CE1-CE1 3.64Å; W471-Y529 HydrophobicContact CB-CD2 3.8Å; W471-Y529 HydrophobicContact CB-CE2 3.68Å; T524-Y529 CarbonylContact C-O 3.55Å; T524-Y529 WeakPolarHBondContact CA-O 3.15Å; T524-Y529 WeakPolarHBondContact CB-O 3.39Å; D525-Y529 PolarHBondContact N-O 3.27Å; D525-Y529 WeakPolarHBondContact OD1-CB 3.49Å; D525-Y529 PolarHBondContact OD1-N 2.97Å; H527-Y529 PolarHBondContact O-N 2.84Å
530	P	95.9	Very high	95.9	Very high	26 Å²	26	35 Å²	35	17%	0.169	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	140.7	-178	-29.1	36.5	0	0	0	114.8	W471 I522 D523	W471-P530 VanDerWaalsContact CD2-CD 3.48Å; W471-P530 HydrophobicContact CD2-CG 3.34Å; W471-P530 HydrophobicContact CE3-CG 3.53Å; W471-P530 HydrophobicContact CG-CG 3.98Å; W471-P530 HydrophobicContact CH2-CG 3.58Å; W471-P530 HydrophobicContact CZ2-CG 3.42Å; W471-P530 VanDerWaalsContact CZ2-CG 3.42Å; W471-P530 HydrophobicContact CZ3-CG 3.64Å; I522-P530 HydrophobicContact CG2-CB 3.81Å; I522-P530 HydrophobicContact CG2-CG 4.11Å; D523-P530 WeakPolarHBondContact O-CA 3.45Å
531	I	92.3	Very high	95.8	Very high	62 Å²	62	39.1 Å²	39.1	32%	0.318	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	11.1	174.8	63.8	162.6	0	0	0	114	T248 D523 D525	T248-I531 PolarHBondContact OG1-O 2.87Å; D523-I531 HydrophobicContact CB-CD1 3.93Å; D523-I531 HydrophobicContact CB-CG1 3.79Å; D523-I531 WeakPolarHBondContact O-CG1 3.44Å; D523-I531 PolarHBondContact O-N 3.29Å; D525-I531 HydrophobicContact CB-CG2 4.04Å
532	G	93.4	Very high	95.8	Very high	26 Å²	26	49 Å²	49	27%	0.268	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.9	17.7	-179.8	0	0	0	0	0	114.9	A496 L497	A496-G532 PolarHBondContact N-O 3.46Å; L497-G532 PolarHBondContact N-O 3.34Å
533	S	96.1	Very high	95.8	Very high	8 Å²	8	49 Å²	49	6%	0.056	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	168.5	167.8	69.3	0	0	0	0	111.7	F493 V494 L497 D523	F493-S533 VanDerWaalsContact CZ-CB 3.48Å; V494-S533 CarbonylContact O-C 3.22Å; V494-S533 WeakPolarHBondContact O-CA 3.47Å; V494-S533 WeakPolarHBondContact O-CB 3.28Å; L497-S533 VanDerWaalsContact CD1-C 3.47Å; D523-S533 WeakPolarHBondContact CB-OG 3.27Å; D523-S533 PolarHBondContact N-O 2.98Å; D523-S533 PolarHBondContact OD2-OG 3.19Å
534	G	96.9	Very high	95.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	-176.4	176.9	0	0	0	0	0	112.5	V494 G521 D523	V494-G534 PolarHBondContact N-O 3.37Å; V494-G534 PolarHBondContact O-N 2.95Å; G521-G534 CarbonylContact O-C 3.53Å; G521-G534 WeakPolarHBondContact O-CA 3.33Å; D523-G534 PolarHBondContact OD2-N 3.06Å
535	R	97.2	Very high	95.9	Very high	82 Å²	82	49.1 Å²	49.1	31%	0.309	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	138.7	-177.6	-74.5	169.9	-90.6	-178.9	-1.7	110.1	T491 V492 A520 G521 D523 Y569	T491-R535 HydrophobicContact CG2-CB 4.18Å; V492-R535 VanDerWaalsContact O-CA 3.3Å; V492-R535 WeakPolarHBondContact O-CA 3.32Å; A520-R535 CarbonylContact C-O 3.56Å; A520-R535 WeakPolarHBondContact CA-O 3.47Å; G521-R535 PolarHBondContact N-O 3.47Å; G521-R535 PolarHBondContact O-N 3.42Å; D523-R535 IonicContact OD1-CZ 3.75Å; D523-R535 IonicContact OD1-NE 2.67Å; D523-R535 PolarHBondContact OD1-NE 2.78Å; D523-R535 IonicContact OD1-NH2 3.17Å; D523-R535 PolarHBondContact OD1-NH2 3.43Å; R535-Y569 VanDerWaalsContact CD-CE2 3.44Å; R535-Y569 HydrophobicContact CG-CD2 3.95Å; R535-Y569 HydrophobicContact CG-CE2 3.97Å
536	V	98.3	Very high	96	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	128.2	177.3	177.3	0	0	0	0	110.5	T491 V492 V494 L506 L510 V517 Y519 A520 F538	T491-V536 CarbonylContact C-O 3.5Å; T491-V536 WeakPolarHBondContact CA-O 3.37Å; V492-V536 HydrophobicContact CG2-CB 3.98Å; V492-V536 PolarHBondContact N-O 3.01Å; V492-V536 PolarHBondContact O-N 3.15Å; V494-V536 HydrophobicContact CG2-CG2 4.26Å; L506-V536 HydrophobicContact CD2-CG2 3.79Å; L506-V536 HydrophobicContact CG-CG2 3.84Å; L510-V536 HydrophobicContact CD1-CB 4Å; L510-V536 HydrophobicContact CD1-CG1 4.05Å; L510-V536 HydrophobicContact CD1-CG2 3.6Å; V517-V536 HydrophobicContact CB-CG1 4.37Å; V517-V536 HydrophobicContact CG1-CG1 3.64Å; V517-V536 HydrophobicContact CG2-CG1 3.83Å; Y519-V536 WeakPolarHBondContact O-CA 3.4Å; A520-V536 HydrophobicContact CB-CG2 3.77Å; V536-F538 HydrophobicContact CG1-CE2 4.44Å; V536-F538 HydrophobicContact CG1-CZ 4.29Å
537	T	97.8	Very high	96.2	Very high	5 Å²	5	48.5 Å²	48.5	3%	0.031	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	130.2	-178.9	-52.1	0	0	0	0	110.5	L486 T491 V518 Y519	L486-T537 HydrophobicContact CB-CG2 4.48Å; L486-T537 HydrophobicContact CD2-CG2 4.35Å; T491-T537 WeakPolarHBondContact OG1-CG2 3.17Å; T491-T537 PolarHBondContact OG1-OG1 3.09Å; V518-T537 HydrophobicContact CG2-CG2 4.3Å; V518-T537 WeakPolarHBondContact CG2-O 3.33Å; V518-T537 PolarHBondContact N-O 3.31Å; Y519-T537 PolarHBondContact N-O 3.5Å; Y519-T537 PolarHBondContact O-N 2.9Å
538	F	97.3	Very high	96.3	Very high	1 Å²	1	46.4 Å²	46.4	0%	0.004	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	148.4	176.6	-62	-83.1	0	0	0	111.4	R490 V492 F514 G515 G516 V517 V536 N540 Y544 A547	R490-F538 WeakPolarHBondContact CB-O 3.44Å; R490-F538 PolarHBondContact O-N 3.22Å; V492-F538 HydrophobicContact CG1-CE2 3.96Å; V492-F538 HydrophobicContact CG2-CE2 3.84Å; F514-F538 HydrophobicContact CB-CE1 3.93Å; F514-F538 HydrophobicContact CB-CZ 4.3Å; F514-F538 HydrophobicContact CD2-CZ 4.45Å; G515-F538 WeakPolarHBondContact O-CD1 3.35Å; G516-F538 CarbonylContact O-C 3.59Å; G516-F538 WeakPolarHBondContact O-CA 3.15Å; V517-F538 HydrophobicContact CG2-CD1 3.9Å; V517-F538 HydrophobicContact CG2-CE1 3.54Å; V517-F538 HydrophobicContact CG2-CZ 4.34Å; V536-F538 HydrophobicContact CG1-CE2 4.44Å; V536-F538 HydrophobicContact CG1-CZ 4.29Å; F538-N540 VanDerWaalsContact C-N 3.28Å; F538-N540 PolarHBondContact O-N 3.14Å; F538-Y544 HydrophobicContact CD2-CD2 4.47Å; F538-A547 HydrophobicContact CE2-CB 3.81Å; F538-A547 HydrophobicContact CZ-CB 3.67Å
539	N	95.4	Very high	96.2	Very high	70 Å²	70	43.2 Å²	43.2	37%	0.374	21%	0.212	S	C	.	.	S	Bend	trans	-73.7	-18.4	172.2	61.4	12.3	0	0	0	113.5	R490 G516 V518	R490-N539 PolarHBondContact NH1-O 2.92Å; G516-N539 WeakPolarHBondContact CA-OD1 3.48Å; G516-N539 PolarHBondContact O-N 3.34Å; G516-N539 PolarHBondContact O-OD1 2.94Å; V518-N539 HydrophobicContact CG1-CB 3.73Å
540	N	95.3	Very high	96.3	Very high	49 Å²	49	42.7 Å²	42.7	26%	0.262	21%	0.212	S	C	.	.	S	Bend	trans	-137.8	148.8	-171.2	79.3	86.5	0	0	0	112.4	F538 R542 S543 Y544	F538-N540 VanDerWaalsContact C-N 3.28Å; F538-N540 PolarHBondContact O-N 3.14Å; N540-R542 VanDerWaalsContact C-N 3.31Å; N540-R542 PolarHBondContact O-N 3.41Å; N540-R542 WeakPolarHBondContact OD1-CB 3.33Å; N540-R542 PolarHBondContact OD1-N 2.72Å; N540-R542 VanDerWaalsContact OD1-N 3.1Å; N540-S543 WeakPolarHBondContact ND2-CB 3.33Å; N540-S543 PolarHBondContact ND2-OG 3.47Å; N540-S543 PolarHBondContact OD1-N 3.49Å; N540-S543 PolarHBondContact OD1-OG 2.98Å; N540-Y544 PolarHBondContact O-N 3.03Å
541	Q	96	Very high	96.2	Very high	85 Å²	85	42 Å²	42	40%	0.397	21%	0.209	S	C	.	.	H	α-helix	trans	-67.8	-29.4	-175.9	-166.4	63.2	13.8	0	0	113.3	R490 L545	R490-Q541 VanDerWaalsContact CG-OE1 3.29Å; Q541-L545 HydrophobicContact CG-CD1 4.02Å; Q541-L545 HydrophobicContact CG-CG 4.27Å; Q541-L545 WeakPolarHBondContact O-CB 3.18Å; Q541-L545 WeakPolarHBondContact O-CG 3.09Å; Q541-L545 PolarHBondContact O-N 2.92Å
542	R	97.1	Very high	96.4	Very high	209 Å²	209	39.8 Å²	39.8	79%	0.789	20%	0.196	S	C	*	.	H	α-helix	trans	-67.4	-47	-177.2	-176	-175.1	-67.8	144.8	-2.9	111.1	N540 L545 K546	N540-R542 VanDerWaalsContact C-N 3.31Å; N540-R542 PolarHBondContact O-N 3.41Å; N540-R542 WeakPolarHBondContact OD1-CB 3.33Å; N540-R542 PolarHBondContact OD1-N 2.72Å; N540-R542 VanDerWaalsContact OD1-N 3.1Å; R542-L545 PolarHBondContact O-N 2.91Å; R542-K546 WeakPolarHBondContact O-CB 3.36Å; R542-K546 PolarHBondContact O-N 3.25Å
543	S	97.8	Very high	96.6	Very high	12 Å²	12	38.5 Å²	38.5	8%	0.084	18%	0.184	C	C	.	.	H	α-helix	trans	-63.2	-43.1	175.7	-62.7	0	0	0	0	112	F514 G515 N540 K546 A547	F514-S543 WeakPolarHBondContact O-CB 3.24Å; F514-S543 PolarHBondContact O-OG 3.14Å; G515-S543 WeakPolarHBondContact O-CB 3.46Å; G515-S543 PolarHBondContact O-OG 3.19Å; N540-S543 WeakPolarHBondContact ND2-CB 3.33Å; N540-S543 PolarHBondContact ND2-OG 3.47Å; N540-S543 PolarHBondContact OD1-N 3.49Å; N540-S543 PolarHBondContact OD1-OG 2.98Å; S543-K546 PolarHBondContact O-N 3.48Å; S543-A547 WeakPolarHBondContact O-CB 3.03Å; S543-A547 PolarHBondContact O-N 2.91Å
544	Y	97.6	Very high	96.7	Very high	12 Å²	12	40 Å²	40	5%	0.047	19%	0.19	C	C	.	.	H	α-helix	trans	-56.7	-53.1	173.6	165.4	-99.7	0	0	0	112.2	T491 V492 F538 N540 K546 A547 V548 F593	T491-Y544 WeakPolarHBondContact O-CE2 3.24Å; V492-Y544 HydrophobicContact CG1-CD2 3.65Å; V492-Y544 HydrophobicContact CG1-CE2 3.78Å; F538-Y544 HydrophobicContact CD2-CD2 4.47Å; N540-Y544 PolarHBondContact O-N 3.03Å; Y544-K546 VanDerWaalsContact C-N 3.33Å; Y544-K546 PolarHBondContact O-N 3.03Å; Y544-A547 PolarHBondContact O-N 3.4Å; Y544-V548 HydrophobicContact CD2-CG2 4.23Å; Y544-V548 HydrophobicContact CE1-CG2 4.41Å; Y544-V548 HydrophobicContact CE2-CG2 3.77Å; Y544-V548 WeakPolarHBondContact O-CG2 3.22Å; Y544-V548 PolarHBondContact O-N 3.12Å; Y544-F593 HydrophobicContact CE1-CE1 4.21Å; Y544-F593 HydrophobicContact CE1-CZ 4.19Å
545	L	96	Very high	96.7	Very high	64 Å²	64	40 Å²	40	34%	0.335	19%	0.19	S	C	.	.	H	α-helix	trans	-64.9	-35.5	179.6	-69.9	175.5	0	0	0	112.3	Q541 R542 S549 F593	Q541-L545 HydrophobicContact CG-CD1 4.02Å; Q541-L545 HydrophobicContact CG-CG 4.27Å; Q541-L545 WeakPolarHBondContact O-CB 3.18Å; Q541-L545 WeakPolarHBondContact O-CG 3.09Å; Q541-L545 PolarHBondContact O-N 2.92Å; R542-L545 PolarHBondContact O-N 2.91Å; L545-S549 VanDerWaalsContact O-CB 3.27Å; L545-S549 WeakPolarHBondContact O-CB 3.27Å; L545-S549 PolarHBondContact O-N 2.8Å; L545-S549 PolarHBondContact O-OG 2.88Å; L545-F593 HydrophobicContact CD2-CE1 4.3Å; L545-F593 HydrophobicContact CD2-CZ 4.37Å
546	K	96.8	Very high	96.7	Very high	115 Å²	115	40 Å²	40	50%	0.5	19%	0.192	S	C	.	.	H	α-helix	trans	-63.2	-44.3	174.4	-168.2	-173.7	169.8	-160.5	0	111.1	L513 F514 R542 S543 Y544 S549 A550	L513-K546 PolarHBondContact O-NZ 2.84Å; F514-K546 HydrophobicContact CD1-CB 4.1Å; F514-K546 HydrophobicContact CD1-CD 3.79Å; F514-K546 HydrophobicContact CD1-CG 3.71Å; F514-K546 HydrophobicContact CE1-CD 4.49Å; F514-K546 HydrophobicContact CE1-CG 4.13Å; R542-K546 WeakPolarHBondContact O-CB 3.36Å; R542-K546 PolarHBondContact O-N 3.25Å; S543-K546 PolarHBondContact O-N 3.48Å; Y544-K546 VanDerWaalsContact C-N 3.33Å; Y544-K546 PolarHBondContact O-N 3.03Å; K546-S549 PolarHBondContact O-N 3.26Å; K546-A550 WeakPolarHBondContact O-CB 3.42Å; K546-A550 PolarHBondContact O-N 3.33Å
547	A	97.4	Very high	96.4	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.3	-45.8	177.6	0	0	0	0	0	112.4	V492 F514 F538 S543 Y544 S549 A550 A551 I566	V492-A547 HydrophobicContact CG1-CB 4.36Å; F514-A547 HydrophobicContact CB-CB 4.45Å; F514-A547 HydrophobicContact CD1-CB 4.2Å; F514-A547 HydrophobicContact CD2-CB 3.7Å; F514-A547 HydrophobicContact CE1-CB 4.43Å; F514-A547 HydrophobicContact CE2-CB 3.94Å; F514-A547 HydrophobicContact CG-CB 3.84Å; F514-A547 HydrophobicContact CZ-CB 4.31Å; F538-A547 HydrophobicContact CE2-CB 3.81Å; F538-A547 HydrophobicContact CZ-CB 3.67Å; S543-A547 WeakPolarHBondContact O-CB 3.03Å; S543-A547 PolarHBondContact O-N 2.91Å; Y544-A547 PolarHBondContact O-N 3.4Å; A547-S549 VanDerWaalsContact C-N 3.33Å; A547-S549 PolarHBondContact O-N 2.98Å; A547-A550 PolarHBondContact O-N 3.28Å; A547-A551 PolarHBondContact O-N 3.16Å; A547-I566 HydrophobicContact CB-CG2 4.32Å
548	V	95.9	Very high	96	Very high	4 Å²	4	46 Å²	46	2%	0.024	23%	0.229	C	C	.	.	H	α-helix	trans	-61	-41.2	175.4	167.8	0	0	0	0	112	V492 Y544 A550 A551 P568 R588 F593	V492-V548 HydrophobicContact CG1-CG2 3.67Å; Y544-V548 HydrophobicContact CD2-CG2 4.23Å; Y544-V548 HydrophobicContact CE1-CG2 4.41Å; Y544-V548 HydrophobicContact CE2-CG2 3.77Å; Y544-V548 WeakPolarHBondContact O-CG2 3.22Å; Y544-V548 PolarHBondContact O-N 3.12Å; V548-A550 VanDerWaalsContact C-N 3.33Å; V548-A551 PolarHBondContact O-N 2.67Å; V548-P568 HydrophobicContact CG1-CG 3.73Å; V548-P568 HydrophobicContact CG2-CG 4.09Å; V548-R588 PolarHBondContact O-NH2 2.87Å; V548-F593 HydrophobicContact CG1-CE2 3.86Å; V548-F593 HydrophobicContact CG1-CZ 4.16Å
549	S	94.9	Very high	95.5	Very high	57 Å²	57	50 Å²	50	40%	0.399	25%	0.246	S	C	.	.	H	α-helix	trans	-72.1	-27.7	179.8	-54.5	0	0	0	0	112.6	L545 K546 A547 A551 Q590	L545-S549 VanDerWaalsContact O-CB 3.27Å; L545-S549 WeakPolarHBondContact O-CB 3.27Å; L545-S549 PolarHBondContact O-N 2.8Å; L545-S549 PolarHBondContact O-OG 2.88Å; K546-S549 PolarHBondContact O-N 3.26Å; A547-S549 VanDerWaalsContact C-N 3.33Å; A547-S549 PolarHBondContact O-N 2.98Å; S549-A551 VanDerWaalsContact C-N 3.29Å; S549-A551 PolarHBondContact O-N 3.37Å; S549-Q590 PolarHBondContact OG-NE2 3.38Å
550	A	95.9	Very high	95.3	Very high	10 Å²	10	47.5 Å²	47.5	8%	0.083	23%	0.232	C	C	.	.	H	α-helix	trans	-70	-23.5	176.4	0	0	0	0	0	113.4	T352 F514 K546 A547 V548 F552	T352-A550 WeakPolarHBondContact CB-O 3.43Å; T352-A550 PolarHBondContact OG1-O 3.39Å; F514-A550 HydrophobicContact CE1-CB 3.71Å; F514-A550 HydrophobicContact CZ-CB 3.61Å; K546-A550 WeakPolarHBondContact O-CB 3.42Å; K546-A550 PolarHBondContact O-N 3.33Å; A547-A550 PolarHBondContact O-N 3.28Å; V548-A550 VanDerWaalsContact C-N 3.33Å; A550-F552 PolarHBondContact O-N 3.05Å
551	A	95	Very high	95.3	Very high	12 Å²	12	49 Å²	49	10%	0.099	24%	0.243	C	C	.	.			trans	56	-55	172	0	0	0	0	0	118.4	A547 V548 S549 Q565 I566 R588	A547-A551 PolarHBondContact O-N 3.16Å; V548-A551 PolarHBondContact O-N 2.67Å; S549-A551 VanDerWaalsContact C-N 3.29Å; S549-A551 PolarHBondContact O-N 3.37Å; A551-Q565 CarbonylContact O-C 3.57Å; A551-Q565 WeakPolarHBondContact O-CA 3.38Å; A551-I566 PolarHBondContact O-N 2.98Å; A551-R588 VanDerWaalsContact CA-NH2 3.33Å; A551-R588 VanDerWaalsContact CB-NH2 3.3Å
552	F	96.6	Very high	95.2	Very high	14 Å²	14	47.5 Å²	47.5	6%	0.061	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	122.8	179.1	-56.6	-72.2	0	0	0	109.7	A345 A346 N349 E350 A351 T352 A550 K563 V564 Q565	A345-F552 HydrophobicContact CB-CE1 3.92Å; A345-F552 HydrophobicContact CB-CZ 3.61Å; A346-F552 HydrophobicContact CB-CD1 4.42Å; A346-F552 HydrophobicContact CB-CE1 4.37Å; N349-F552 HydrophobicContact CB-CD1 4.45Å; N349-F552 HydrophobicContact CB-CD2 3.62Å; N349-F552 HydrophobicContact CB-CE1 4.23Å; N349-F552 HydrophobicContact CB-CE2 3.36Å; N349-F552 HydrophobicContact CB-CG 4.18Å; N349-F552 HydrophobicContact CB-CZ 3.71Å; E350-F552 WeakPolarHBondContact O-CB 3.32Å; A351-F552 WeakPolarHBondContact CA-O 3.41Å; T352-F552 PolarHBondContact N-O 2.88Å; A550-F552 PolarHBondContact O-N 3.05Å; F552-K563 HydrophobicContact CB-CD 4.37Å; F552-K563 HydrophobicContact CB-CG 4.29Å; F552-V564 WeakPolarHBondContact CA-O 3.48Å; F552-Q565 HydrophobicContact CD1-CB 4.1Å; F552-Q565 HydrophobicContact CD1-CG 4.36Å; F552-Q565 HydrophobicContact CE1-CB 3.98Å; F552-Q565 HydrophobicContact CE1-CG 3.84Å
553	V	97.4	Very high	95.1	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	128.2	177	177.4	0	0	0	0	108.6	C353 L513 F514 I555 K563 V564 I566	C353-V553 WeakPolarHBondContact O-CA 3.28Å; L513-V553 HydrophobicContact CD1-CG1 3.43Å; L513-V553 VanDerWaalsContact CD1-CG1 3.43Å; L513-V553 HydrophobicContact CD1-CG2 4.24Å; F514-V553 HydrophobicContact CE2-CG2 4.21Å; F514-V553 HydrophobicContact CZ-CG2 4.04Å; V553-I555 HydrophobicContact CG1-CG1 4.31Å; V553-K563 CarbonylContact O-C 3.55Å; V553-K563 WeakPolarHBondContact O-CA 3.4Å; V553-V564 HydrophobicContact CB-CG2 3.9Å; V553-V564 PolarHBondContact N-O 3Å; V553-V564 WeakPolarHBondContact O-CG2 3.31Å; V553-V564 PolarHBondContact O-N 3.3Å; V553-I566 HydrophobicContact CG2-CD1 3.54Å; V553-I566 HydrophobicContact CG2-CG1 4.33Å
554	E	97.4	Very high	95	Very high	39 Å²	39	39.1 Å²	39.1	18%	0.182	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	121.8	170.7	-171.7	-174	-143.7	0	0	110.1	A351 C353 T354 W355 K556 T561	A351-E554 HydrophobicContact CB-CB 3.66Å; C353-E554 PolarHBondContact O-N 3.4Å; T354-E554 CarbonylContact C-O 3.45Å; T354-E554 VanDerWaalsContact CA-O 3.28Å; T354-E554 WeakPolarHBondContact CA-O 3.43Å; T354-E554 HydrophobicContact CG2-CB 4.16Å; T354-E554 HydrophobicContact CG2-CG 4.36Å; T354-E554 WeakPolarHBondContact CG2-OE2 3.34Å; T354-E554 PolarHBondContact OG1-OE2 2.67Å; W355-E554 PolarHBondContact N-O 3.12Å; E554-K556 HydrophobicContact CG-CG 4.33Å; E554-K556 VanDerWaalsContact OE1-CE 3.28Å; E554-K556 WeakPolarHBondContact OE1-CE 3.34Å; E554-K556 IonicContact OE1-NZ 2.99Å; E554-K556 PolarHBondContact OE1-NZ 2.76Å; E554-K556 WeakPolarHBondContact OE2-CE 3.17Å; E554-K556 IonicContact OE2-NZ 3.91Å; E554-K556 PolarHBondContact OE2-NZ 3.13Å; E554-T561 HydrophobicContact CG-CG2 3.98Å
555	I	97.3	Very high	95	Very high	1 Å²	1	39 Å²	39	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	116.3	176.9	-60.8	171.7	0	0	0	107.7	W355 L501 I509 V553 T557 F560 T561 K562 V564	W355-I555 HydrophobicContact CE3-CG2 4.04Å; W355-I555 HydrophobicContact CZ3-CG2 4.29Å; L501-I555 HydrophobicContact CD1-CD1 3.81Å; I509-I555 HydrophobicContact CD1-CD1 4.08Å; I509-I555 HydrophobicContact CD1-CG1 4.47Å; I509-I555 HydrophobicContact CD1-CG2 3.89Å; I509-I555 HydrophobicContact CG2-CD1 4.24Å; I509-I555 HydrophobicContact CG2-CG1 4.17Å; V553-I555 HydrophobicContact CG1-CG1 4.31Å; I555-T557 HydrophobicContact CG2-CG2 4.23Å; I555-F560 HydrophobicContact CB-CE2 4.46Å; I555-F560 HydrophobicContact CG2-CE2 3.96Å; I555-F560 HydrophobicContact CG2-CZ 4.21Å; I555-T561 CarbonylContact O-C 3.56Å; I555-T561 VanDerWaalsContact O-CA 3.31Å; I555-T561 WeakPolarHBondContact O-CA 3.39Å; I555-K562 PolarHBondContact N-O 3.36Å; I555-K562 PolarHBondContact O-N 3.46Å; I555-V564 HydrophobicContact CD1-CG1 3.79Å; I555-V564 HydrophobicContact CD1-CG2 3.85Å; I555-V564 HydrophobicContact CG1-CG2 4.34Å
556	K	96.7	Very high	95	Very high	82 Å²	82	35.9 Å²	35.9	36%	0.357	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.8	175.7	-73.5	179.2	168.5	141.7	0	110.3	T354 W355 S356 G357 E554 T561	T354-K556 HydrophobicContact CG2-CD 3.79Å; T354-K556 HydrophobicContact CG2-CG 4.15Å; W355-K556 PolarHBondContact O-N 3.22Å; S356-K556 WeakPolarHBondContact CA-O 3.47Å; G357-K556 PolarHBondContact N-O 2.85Å; G357-K556 VanDerWaalsContact N-O 3.13Å; E554-K556 HydrophobicContact CG-CG 4.33Å; E554-K556 VanDerWaalsContact OE1-CE 3.28Å; E554-K556 WeakPolarHBondContact OE1-CE 3.34Å; E554-K556 IonicContact OE1-NZ 2.99Å; E554-K556 PolarHBondContact OE1-NZ 2.76Å; E554-K556 WeakPolarHBondContact OE2-CE 3.17Å; E554-K556 IonicContact OE2-NZ 3.91Å; E554-K556 PolarHBondContact OE2-NZ 3.13Å; K556-T561 HydrophobicContact CG-CG2 3.73Å
557	T	92.9	Very high	95	Very high	23 Å²	23	31.2 Å²	31.2	14%	0.141	17%	0.167	C	C	.	.			trans	-127.6	172.3	173.1	67	0	0	0	0	109.4	W355 L359 I555 K559 F560	W355-T557 HydrophobicContact CZ3-CG2 4.2Å; L359-T557 HydrophobicContact CD1-CG2 4.38Å; L359-T557 HydrophobicContact CD2-CG2 3.72Å; L359-T557 HydrophobicContact CG-CG2 3.91Å; I555-T557 HydrophobicContact CG2-CG2 4.23Å; T557-K559 PolarHBondContact O-N 3.28Å; T557-K559 PolarHBondContact OG1-N 3.43Å; T557-F560 HydrophobicContact CG2-CD1 4.41Å; T557-F560 HydrophobicContact CG2-CE1 3.86Å; T557-F560 HydrophobicContact CG2-CE2 4.41Å; T557-F560 HydrophobicContact CG2-CZ 3.85Å; T557-F560 PolarHBondContact N-O 3.33Å; T557-F560 WeakPolarHBondContact OG1-CD1 3.41Å; T557-F560 WeakPolarHBondContact OG1-CE1 3.39Å; T557-F560 PolarHBondContact OG1-N 2.8Å; T557-F560 PolarHBondContact OG1-O 3.09Å
558	T	89.3	Confident	94.9	Very high	107 Å²	107	31.3 Å²	31.3	66%	0.656	17%	0.168	S	C	*	.	S	Bend	trans	-62.5	-26.2	171.7	50	0	0	0	0	113.6
559	K	86.2	Confident	94.8	Very high	84 Å²	84	34.2 Å²	34.2	37%	0.365	18%	0.179	S	C	.	.	S	Bend	trans	-102.1	-24.5	-176	-66.4	-164	174	180	0	114.9	D447 E451 M500 T557	D447-K559 WeakPolarHBondContact OD2-CE 3.39Å; D447-K559 IonicContact OD2-NZ 2.93Å; D447-K559 PolarHBondContact OD2-NZ 3.14Å; E451-K559 IonicContact OE1-NZ 3.44Å; E451-K559 PolarHBondContact OE1-NZ 3.33Å; M500-K559 HydrophobicContact CE-CB 4.35Å; M500-K559 HydrophobicContact CE-CD 3.67Å; M500-K559 HydrophobicContact SD-CB 4.13Å; T557-K559 PolarHBondContact O-N 3.28Å; T557-K559 PolarHBondContact OG1-N 3.43Å
560	F	91.6	Very high	94.7	Very high	18 Å²	18	32.8 Å²	32.8	8%	0.079	17%	0.167	C	C	.	.			trans	-155.9	154.1	179.3	70.9	-89.7	0	0	0	112.8	L359 H498 M500 L501 I555 T557 K562	L359-F560 HydrophobicContact CD1-CE1 4.06Å; L359-F560 HydrophobicContact CD1-CZ 4.42Å; H498-F560 HydrophobicContact CB-CD2 3.89Å; H498-F560 HydrophobicContact CB-CE2 3.64Å; H498-F560 HydrophobicContact CB-CG 4.46Å; H498-F560 HydrophobicContact CB-CZ 4Å; H498-F560 AromaticContact CE1-CD1 3.65Å; H498-F560 AromaticContact CE1-CG 3.52Å; H498-F560 AromaticContact CG-CD2 3.62Å; H498-F560 AromaticContact CG-CE2 3.86Å; H498-F560 AromaticContact CG-CG 3.77Å; H498-F560 AromaticContact ND1-CD1 3.24Å; H498-F560 WeakPolarHBondContact ND1-CD1 3.33Å; H498-F560 AromaticContact ND1-CD2 3.61Å; H498-F560 AromaticContact ND1-CE1 3.57Å; H498-F560 AromaticContact ND1-CE2 3.92Å; H498-F560 AromaticContact ND1-CG 3.27Å; H498-F560 VanDerWaalsContact ND1-CG 3.27Å; H498-F560 WeakPolarHBondContact ND1-CG 3.47Å; H498-F560 AromaticContact ND1-CZ 3.91Å; M500-F560 HydrophobicContact CB-CD1 4.21Å; M500-F560 HydrophobicContact CB-CE1 3.89Å; M500-F560 HydrophobicContact SD-CD1 4.02Å; L501-F560 HydrophobicContact CD2-CZ 3.95Å; L501-F560 HydrophobicContact CG-CZ 3.97Å; I555-F560 HydrophobicContact CB-CE2 4.46Å; I555-F560 HydrophobicContact CG2-CE2 3.96Å; I555-F560 HydrophobicContact CG2-CZ 4.21Å; T557-F560 HydrophobicContact CG2-CD1 4.41Å; T557-F560 HydrophobicContact CG2-CE1 3.86Å; T557-F560 HydrophobicContact CG2-CE2 4.41Å; T557-F560 HydrophobicContact CG2-CZ 3.85Å; T557-F560 PolarHBondContact N-O 3.33Å; T557-F560 WeakPolarHBondContact OG1-CD1 3.41Å; T557-F560 WeakPolarHBondContact OG1-CE1 3.39Å; T557-F560 PolarHBondContact OG1-N 2.8Å; T557-F560 PolarHBondContact OG1-O 3.09Å; F560-K562 HydrophobicContact CD2-CB 3.85Å; F560-K562 HydrophobicContact CE2-CB 4.09Å
561	T	94.9	Very high	94.4	Very high	81 Å²	81	36.7 Å²	36.7	50%	0.497	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	128.2	161.9	-64.2	0	0	0	0	108.6	E554 I555 K556	E554-T561 HydrophobicContact CG-CG2 3.98Å; I555-T561 CarbonylContact O-C 3.56Å; I555-T561 VanDerWaalsContact O-CA 3.31Å; I555-T561 WeakPolarHBondContact O-CA 3.39Å; K556-T561 HydrophobicContact CG-CG2 3.73Å
562	K	94.3	Very high	94.2	Very high	54 Å²	54	42.7 Å²	42.7	24%	0.235	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	132.6	-179.6	-170.5	68.1	175.4	-179.6	0	111.6	S252 A496 H498 I555 F560	S252-K562 PolarHBondContact OG-NZ 3.07Å; A496-K562 WeakPolarHBondContact O-CE 3.38Å; H498-K562 HydrophobicContact CB-CB 4.2Å; H498-K562 HydrophobicContact CB-CG 4.19Å; I555-K562 PolarHBondContact N-O 3.36Å; I555-K562 PolarHBondContact O-N 3.46Å; F560-K562 HydrophobicContact CD2-CB 3.85Å; F560-K562 HydrophobicContact CE2-CB 4.09Å
563	K	95.4	Very high	94	Very high	43 Å²	43	44 Å²	44	19%	0.187	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	122.7	169.5	-154.5	172.6	-60.1	-177.6	0	108.9	N349 E350 A351 F552 V553	N349-K563 WeakPolarHBondContact O-CD 3.35Å; N349-K563 PolarHBondContact O-NZ 3.12Å; E350-K563 VanDerWaalsContact CD-NZ 3.34Å; E350-K563 IonicContact OE1-NZ 3.58Å; E350-K563 PolarHBondContact OE1-NZ 3.44Å; E350-K563 IonicContact OE2-NZ 3.17Å; E350-K563 PolarHBondContact OE2-NZ 3.05Å; A351-K563 HydrophobicContact CB-CD 4.19Å; A351-K563 HydrophobicContact CB-CG 4.25Å; F552-K563 HydrophobicContact CB-CD 4.37Å; F552-K563 HydrophobicContact CB-CG 4.29Å; V553-K563 CarbonylContact O-C 3.55Å; V553-K563 WeakPolarHBondContact O-CA 3.4Å
564	V	96.5	Very high	93.9	Very high	1 Å²	1	49.3 Å²	49.3	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	148.7	175.8	-57.8	0	0	0	0	110	V494 L497 F552 V553 I555	V494-V564 HydrophobicContact CG1-CB 4.18Å; V494-V564 HydrophobicContact CG1-CG2 4.2Å; L497-V564 HydrophobicContact CD2-CB 4.48Å; L497-V564 HydrophobicContact CD2-CG1 4.04Å; F552-V564 WeakPolarHBondContact CA-O 3.48Å; V553-V564 HydrophobicContact CB-CG2 3.9Å; V553-V564 PolarHBondContact N-O 3Å; V553-V564 WeakPolarHBondContact O-CG2 3.31Å; V553-V564 PolarHBondContact O-N 3.3Å; I555-V564 HydrophobicContact CD1-CG1 3.79Å; I555-V564 HydrophobicContact CD1-CG2 3.85Å; I555-V564 HydrophobicContact CG1-CG2 4.34Å
565	Q	96.1	Very high	93.9	Very high	9 Å²	9	47.4 Å²	47.4	4%	0.042	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	131.4	-178.7	171.8	169.5	-28.5	0	0	110.1	H342 A346 V494 G495 A551 F552 D567	H342-Q565 PolarHBondContact CD2-NE2 3.05Å; H342-Q565 VanDerWaalsContact CD2-NE2 3.31Å; H342-Q565 PolarHBondContact NE2-NE2 3.28Å; H342-Q565 VanDerWaalsContact NE2-NE2 3.15Å; H342-Q565 PolarHBondContact O-NE2 3.15Å; H342-Q565 PolarHBondContact O-OE1 3.33Å; A346-Q565 HydrophobicContact CB-CB 4.05Å; V494-Q565 CarbonylContact C-O 3.48Å; V494-Q565 VanDerWaalsContact CA-O 3.26Å; V494-Q565 WeakPolarHBondContact CA-O 3.28Å; G495-Q565 PolarHBondContact N-O 2.72Å; G495-Q565 PolarHBondContact O-N 3.28Å; A551-Q565 CarbonylContact O-C 3.57Å; A551-Q565 WeakPolarHBondContact O-CA 3.38Å; F552-Q565 HydrophobicContact CD1-CB 4.1Å; F552-Q565 HydrophobicContact CD1-CG 4.36Å; F552-Q565 HydrophobicContact CE1-CB 3.98Å; F552-Q565 HydrophobicContact CE1-CG 3.84Å; Q565-D567 PolarHBondContact NE2-OD2 3.43Å
566	I	96.9	Very high	93.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	120.8	176.9	-55.6	-178	0	0	0	108.3	V492 F493 V494 L510 F514 A547 A551 V553 R588	V492-I566 HydrophobicContact CB-CG2 3.76Å; V492-I566 HydrophobicContact CG1-CG2 3.97Å; V492-I566 HydrophobicContact CG2-CG2 3.92Å; F493-I566 WeakPolarHBondContact O-CA 3.18Å; V494-I566 HydrophobicContact CG1-CG1 4.44Å; L510-I566 HydrophobicContact CD2-CD1 3.71Å; F514-I566 HydrophobicContact CE2-CD1 3.85Å; F514-I566 HydrophobicContact CZ-CD1 4.34Å; A547-I566 HydrophobicContact CB-CG2 4.32Å; A551-I566 PolarHBondContact O-N 2.98Å; V553-I566 HydrophobicContact CG2-CD1 3.54Å; V553-I566 HydrophobicContact CG2-CG1 4.33Å; I566-R588 PolarHBondContact O-NH2 3.47Å
567	D	95.4	Very high	93.8	Very high	16 Å²	16	52 Å²	52	9%	0.086	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	156.2	175.8	-67.6	-39.7	0	0	0	109.9	H342 V492 F493 Q565 Y569 R588 L616	H342-D567 IonicContact CD2-OD1 3.94Å; H342-D567 IonicContact CD2-OD2 3.93Å; H342-D567 IonicContact CE1-OD1 2.72Å; H342-D567 IonicContact NE2-OD1 3.96Å; H342-D567 PolarHBondContact NE2-OD1 3.28Å; H342-D567 IonicContact NE2-OD2 3.96Å; V492-D567 CarbonylContact C-O 3.5Å; V492-D567 WeakPolarHBondContact CA-O 3.41Å; V492-D567 WeakPolarHBondContact CB-O 3.38Å; F493-D567 HydrophobicContact CD1-CB 4.39Å; F493-D567 PolarHBondContact N-O 3.09Å; F493-D567 PolarHBondContact O-N 3.35Å; Q565-D567 PolarHBondContact NE2-OD2 3.43Å; D567-Y569 PolarHBondContact O-N 3.25Å; D567-R588 IonicContact OD1-CZ 2.81Å; D567-R588 IonicContact OD1-NH1 2.68Å; D567-R588 PolarHBondContact OD1-NH1 3.12Å; D567-R588 IonicContact OD1-NH2 2.84Å; D567-L616 HydrophobicContact CB-CD1 4.44Å
568	P	95.4	Very high	93.9	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.019	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53	137.8	165.2	-24.6	35.2	0	0	0	111	V548 L570 F586 F593 L616	V548-P568 HydrophobicContact CG1-CG 3.73Å; V548-P568 HydrophobicContact CG2-CG 4.09Å; P568-L570 HydrophobicContact CB-CD2 4.26Å; P568-L570 PolarHBondContact O-N 3.5Å; P568-F586 HydrophobicContact CB-CE1 4.12Å; P568-F586 HydrophobicContact CB-CZ 4.47Å; P568-F586 HydrophobicContact CG-CD1 4.42Å; P568-F586 HydrophobicContact CG-CE1 3.81Å; P568-F586 HydrophobicContact CG-CZ 4.47Å; P568-F593 HydrophobicContact CB-CZ 4.41Å; P568-F593 HydrophobicContact CG-CE2 3.93Å; P568-F593 HydrophobicContact CG-CZ 3.96Å; P568-L616 HydrophobicContact CG-CD1 4.25Å
569	Y	94.6	Very high	94.2	Very high	65 Å²	65	52 Å²	52	26%	0.255	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-71	122.2	169.7	-173.7	-107.9	0	0	0	109.5	P488 T491 F493 R535 D567 E571	P488-Y569 HydrophobicContact CB-CD1 4.42Å; T491-Y569 HydrophobicContact CG2-CD1 4.5Å; T491-Y569 HydrophobicContact CG2-CG 4.14Å; T491-Y569 WeakPolarHBondContact O-CB 3.47Å; T491-Y569 PolarHBondContact O-N 3.06Å; T491-Y569 VanDerWaalsContact O-N 3.1Å; F493-Y569 HydrophobicContact CB-CD2 4.45Å; R535-Y569 VanDerWaalsContact CD-CE2 3.44Å; R535-Y569 HydrophobicContact CG-CD2 3.95Å; R535-Y569 HydrophobicContact CG-CE2 3.97Å; D567-Y569 PolarHBondContact O-N 3.25Å; Y569-E571 HydrophobicContact CD1-CG 4.43Å; Y569-E571 HydrophobicContact CE1-CG 4.46Å
570	L	92.9	Very high	94.6	Very high	27 Å²	27	52.1 Å²	52.1	14%	0.141	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-94.6	133.4	-173.4	-58.6	-174.7	0	0	0	112	P568 F586 Y595 L616	P568-L570 HydrophobicContact CB-CD2 4.26Å; P568-L570 PolarHBondContact O-N 3.5Å; L570-F586 HydrophobicContact CD1-CB 4.26Å; L570-F586 HydrophobicContact CD2-CB 3.57Å; L570-F586 HydrophobicContact CD2-CD1 3.91Å; L570-F586 HydrophobicContact CD2-CD2 4.04Å; L570-F586 HydrophobicContact CD2-CG 3.55Å; L570-Y595 WeakPolarHBondContact CA-OH 3.42Å; L570-Y595 HydrophobicContact CD2-CE1 4.2Å; L570-L616 HydrophobicContact CD1-CB 3.98Å
571	E	90.2	Very high	94.7	Very high	91 Å²	91	55 Å²	55	43%	0.425	30%	0.297	S	S	.	.			trans	-114.6	161.1	176.4	-62.1	-167	114.8	0	0	111.1	P488 Y569 S573 Y595	P488-E571 HydrophobicContact CB-CG 4.14Å; P488-E571 WeakPolarHBondContact CB-OE1 3.47Å; P488-E571 VanDerWaalsContact CG-OE1 3.25Å; P488-E571 WeakPolarHBondContact CG-OE1 3.43Å; Y569-E571 HydrophobicContact CD1-CG 4.43Å; Y569-E571 HydrophobicContact CE1-CG 4.46Å; E571-S573 PolarHBondContact O-N 3.18Å; E571-S573 VanDerWaalsContact O-N 3.13Å; E571-Y595 PolarHBondContact N-OH 3Å; E571-Y595 WeakPolarHBondContact O-CE1 3.32Å
572	D	90.4	Very high	94.7	Very high	139 Å²	139	55.1 Å²	55.1	74%	0.743	30%	0.299	S	S	*	.			trans	-74.6	105	176.2	-58	-41.2	0	0	0	109.3	R618	D572-R618 IonicContact OD1-CZ 3.8Å; D572-R618 IonicContact OD1-NH1 3.91Å; D572-R618 PolarHBondContact OD1-NH1 3Å; D572-R618 IonicContact OD2-CZ 3.79Å; D572-R618 IonicContact OD2-NH1 3.48Å; D572-R618 PolarHBondContact OD2-NH1 3.5Å
573	S	92.2	Very high	94.7	Very high	42 Å²	42	52.7 Å²	52.7	29%	0.294	29%	0.29	S	S	.	.			trans	-124.6	156.5	-173.9	-73.3	0	0	0	0	112.4	E571 G583 Y595	E571-S573 PolarHBondContact O-N 3.18Å; E571-S573 VanDerWaalsContact O-N 3.13Å; S573-G583 PolarHBondContact O-N 2.75Å; S573-Y595 WeakPolarHBondContact OG-CE2 3.29Å
574	L	95.8	Very high	94.6	Very high	110 Å²	110	52.9 Å²	52.9	58%	0.576	30%	0.296	S	S	*	.	B	Isolated β-bridge	trans	-76.2	155	169.7	-65.1	174.3	0	0	0	111.1	H576	L574-H576 PolarHBondContact O-N 3.06Å
575	C	96.7	Very high	94.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.296	C	S	.	.			trans	-61.2	126	173.1	174.9	0	0	0	0	110.8	I577 C578 S579 Q581 C597 C600	C575-I577 VanDerWaalsContact C-N 3.27Å; C575-I577 PolarHBondContact O-N 2.96Å; C575-C578 VanDerWaalsContact CB-SG 3.57Å; C575-C578 VanDerWaalsContact SG-SG 3.66Å; C575-S579 VanDerWaalsContact O-CA 3.31Å; C575-S579 WeakPolarHBondContact O-CA 3.44Å; C575-S579 PolarHBondContact O-N 3.44Å; C575-Q581 WeakPolarHBondContact CB-O 3.4Å; C575-Q581 PolarHBondContact N-O 3.12Å; C575-C597 HydrophobicContact CB-CB 3.9Å; C575-C597 PolarHBondContact SG-N 3.14Å; C575-C597 VanDerWaalsContact SG-SG 3.69Å; C575-C600 VanDerWaalsContact SG-CB 3.51Å
576	H	96.2	Very high	94.4	Very high	109 Å²	109	53.1 Å²	53.1	51%	0.505	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-29.5	-176.3	-179.6	44.4	0	0	0	114.2	L574 K594 Y595	L574-H576 PolarHBondContact O-N 3.06Å; H576-K594 HydrophobicContact CB-CB 3.96Å; H576-K594 HydrophobicContact CB-CG 4.37Å; H576-Y595 WeakPolarHBondContact CB-O 3.34Å; H576-Y595 PolarHBondContact N-O 3Å
577	I	95.8	Very high	94.3	Very high	71 Å²	71	53.1 Å²	53.1	36%	0.364	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-51.6	-177.3	-62.9	-177.3	0	0	0	111.5	C575 F596 C600 W603 R604	C575-I577 VanDerWaalsContact C-N 3.27Å; C575-I577 PolarHBondContact O-N 2.96Å; I577-F596 HydrophobicContact CD1-CD1 3.95Å; I577-F596 HydrophobicContact CD1-CE1 3.8Å; I577-F596 HydrophobicContact CG1-CD1 4.12Å; I577-F596 HydrophobicContact CG1-CE1 3.97Å; I577-C600 HydrophobicContact CB-CB 4.12Å; I577-C600 HydrophobicContact CD1-CB 4.15Å; I577-C600 HydrophobicContact CG1-CB 4.49Å; I577-W603 HydrophobicContact CD1-CE3 3.96Å; I577-W603 HydrophobicContact CD1-CZ3 4.03Å; I577-R604 HydrophobicContact CD1-CB 4.11Å
578	C	96.1	Very high	94.1	Very high	45 Å²	45	54 Å²	54	30%	0.304	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-14.4	-172.8	72.4	0	0	0	0	114.7	C575 S580	C575-C578 VanDerWaalsContact CB-SG 3.57Å; C575-C578 VanDerWaalsContact SG-SG 3.66Å; C578-S580 WeakPolarHBondContact O-CB 3.39Å; C578-S580 PolarHBondContact O-N 2.92Å; C578-S580 PolarHBondContact O-OG 2.89Å; C578-S580 PolarHBondContact SG-OG 2.95Å
579	S	95.7	Very high	93.9	Very high	85 Å²	85	56.3 Å²	56.3	59%	0.594	31%	0.31	S	S	*	.	S	Bend	trans	50	11.3	-179.5	-58.5	0	0	0	0	116.8	C575	C575-S579 VanDerWaalsContact O-CA 3.31Å; C575-S579 WeakPolarHBondContact O-CA 3.44Å; C575-S579 PolarHBondContact O-N 3.44Å
580	S	94.3	Very high	93.7	Very high	86 Å²	86	60.1 Å²	60.1	60%	0.601	33%	0.331	S	S	*	.	S	Bend	trans	-121.3	-19.4	-169.6	47.8	0	0	0	0	113.7	C578	C578-S580 WeakPolarHBondContact O-CB 3.39Å; C578-S580 PolarHBondContact O-N 2.92Å; C578-S580 PolarHBondContact O-OG 2.89Å; C578-S580 PolarHBondContact SG-OG 2.95Å
581	Q	93.2	Very high	93.7	Very high	77 Å²	77	63.9 Å²	63.9	36%	0.36	36%	0.355	S	S	.	.	S	Bend	trans	-117.2	152.3	177.6	-65	-65.1	-26	0	0	109.5	C575 C597	C575-Q581 WeakPolarHBondContact CB-O 3.4Å; C575-Q581 PolarHBondContact N-O 3.12Å; Q581-C597 HydrophobicContact CB-CB 4.03Å
582	P	94.1	Very high	93.8	Very high	84 Å²	84	60.1 Å²	60.1	55%	0.545	34%	0.338	S	S	.	.	B	Isolated β-bridge	trans	-57.6	147.3	168.8	26.7	-34.7	0	0	0	110.5	P584 C597	P582-P584 WeakPolarHBondContact O-CD 3.4Å; P582-C597 WeakPolarHBondContact O-CB 3.48Å
583	G	94.5	Very high	94	Very high	4 Å²	4	55.5 Å²	55.5	4%	0.041	31%	0.312	C	S	.	.			trans	-107.5	76.6	176.3	0	0	0	0	0	111.7	S573 F585 Y595 F596	S573-G583 PolarHBondContact O-N 2.75Å; G583-F585 PolarHBondContact O-N 3.36Å; G583-Y595 WeakPolarHBondContact O-CD1 3.38Å; G583-F596 CarbonylContact C-O 3.36Å; G583-F596 VanDerWaalsContact CA-O 3.24Å; G583-F596 WeakPolarHBondContact CA-O 3.15Å
584	P	93.1	Very high	94.1	Very high	47 Å²	47	58.2 Å²	58.2	31%	0.305	32%	0.318	S	S	.	.			trans	-71.4	-14.2	-176.3	30.4	-37.4	0	0	0	114.2	P582 M617	P582-P584 WeakPolarHBondContact O-CD 3.4Å; P584-M617 HydrophobicContact CB-CE 4.41Å
585	F	93.9	Very high	94.1	Very high	5 Å²	5	54.7 Å²	54.7	2%	0.022	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	121.5	178.4	-48.1	-77	0	0	0	110	I335 E336 G583 Y595 F596 R598 W601 M617	I335-F585 HydrophobicContact CB-CD1 4.12Å; I335-F585 HydrophobicContact CB-CE1 3.79Å; I335-F585 HydrophobicContact CB-CZ 4.29Å; I335-F585 HydrophobicContact CD1-CE2 4.3Å; I335-F585 HydrophobicContact CD1-CZ 4.29Å; I335-F585 HydrophobicContact CG2-CD1 3.33Å; I335-F585 HydrophobicContact CG2-CE1 3.54Å; I335-F585 HydrophobicContact CG2-CG 3.94Å; I335-F585 HydrophobicContact CG2-CZ 4.33Å; E336-F585 HydrophobicContact CG-CE1 4.17Å; E336-F585 HydrophobicContact CG-CZ 4.47Å; E336-F585 WeakPolarHBondContact OE1-CZ 3.46Å; G583-F585 PolarHBondContact O-N 3.36Å; F585-Y595 CarbonylContact O-C 3.52Å; F585-Y595 WeakPolarHBondContact O-CA 3.36Å; F585-F596 WeakPolarHBondContact CD2-O 3.36Å; F585-F596 PolarHBondContact N-O 3.04Å; F585-F596 PolarHBondContact O-N 3.34Å; F585-R598 HydrophobicContact CE2-CB 3.88Å; F585-R598 HydrophobicContact CE2-CG 4.44Å; F585-W601 HydrophobicContact CB-CD2 4.48Å; F585-W601 HydrophobicContact CB-CE3 3.8Å; F585-W601 HydrophobicContact CB-CZ3 4.3Å; F585-M617 HydrophobicContact CD1-CE 3.97Å; F585-M617 HydrophobicContact CD1-CG 3.61Å; F585-M617 HydrophobicContact CD1-SD 3.59Å; F585-M617 VanDerWaalsContact CD1-SD 3.59Å; F585-M617 HydrophobicContact CE1-CE 3.54Å; F585-M617 HydrophobicContact CE1-CG 4.07Å; F585-M617 HydrophobicContact CE1-SD 3.39Å; F585-M617 WeakPolarHBondContact CE1-SD 3.35Å; F585-M617 HydrophobicContact CZ-CE 4.21Å
586	F	94.9	Very high	94	Very high	10 Å²	10	54.9 Å²	54.9	4%	0.044	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	128.5	171.6	-177.1	-87.7	0	0	0	109.7	P568 L570 F593 K594 Y595 L616	P568-F586 HydrophobicContact CB-CE1 4.12Å; P568-F586 HydrophobicContact CB-CZ 4.47Å; P568-F586 HydrophobicContact CG-CD1 4.42Å; P568-F586 HydrophobicContact CG-CE1 3.81Å; P568-F586 HydrophobicContact CG-CZ 4.47Å; L570-F586 HydrophobicContact CD1-CB 4.26Å; L570-F586 HydrophobicContact CD2-CB 3.57Å; L570-F586 HydrophobicContact CD2-CD1 3.91Å; L570-F586 HydrophobicContact CD2-CD2 4.04Å; L570-F586 HydrophobicContact CD2-CG 3.55Å; F586-F593 AromaticContact CE1-CD2 3.9Å; F586-F593 HydrophobicContact CE1-CD2 3.9Å; F586-F593 AromaticContact CE1-CE2 3.79Å; F586-F593 HydrophobicContact CE1-CE2 3.79Å; F586-F593 HydrophobicContact CE1-CG 4.39Å; F586-F593 HydrophobicContact CE1-CZ 4.19Å; F586-F593 AromaticContact CZ-CD1 3.89Å; F586-F593 HydrophobicContact CZ-CD1 3.89Å; F586-F593 AromaticContact CZ-CD2 3.82Å; F586-F593 HydrophobicContact CZ-CD2 3.82Å; F586-F593 AromaticContact CZ-CE1 3.89Å; F586-F593 HydrophobicContact CZ-CE1 3.89Å; F586-F593 AromaticContact CZ-CE2 3.8Å; F586-F593 HydrophobicContact CZ-CE2 3.8Å; F586-F593 AromaticContact CZ-CG 3.86Å; F586-F593 HydrophobicContact CZ-CG 3.86Å; F586-F593 AromaticContact CZ-CZ 3.85Å; F586-F593 HydrophobicContact CZ-CZ 3.85Å; F586-K594 WeakPolarHBondContact CA-O 3.44Å; F586-Y595 HydrophobicContact CB-CD1 3.96Å; F586-Y595 HydrophobicContact CB-CE1 3.96Å; F586-Y595 AromaticContact CD2-CD1 3.82Å; F586-Y595 HydrophobicContact CD2-CD1 3.82Å; F586-Y595 AromaticContact CD2-CD2 3.86Å; F586-Y595 HydrophobicContact CD2-CD2 3.86Å; F586-Y595 AromaticContact CD2-CE1 3.68Å; F586-Y595 HydrophobicContact CD2-CE1 3.68Å; F586-Y595 AromaticContact CD2-CE2 3.7Å; F586-Y595 HydrophobicContact CD2-CE2 3.7Å; F586-Y595 AromaticContact CD2-CG 3.92Å; F586-Y595 HydrophobicContact CD2-CG 3.92Å; F586-Y595 AromaticContact CD2-CZ 3.61Å; F586-Y595 HydrophobicContact CE2-CD2 4.29Å; F586-Y595 AromaticContact CE2-CE2 3.99Å; F586-Y595 HydrophobicContact CE2-CE2 3.99Å; F586-Y595 HydrophobicContact CG-CD1 4.4Å; F586-Y595 HydrophobicContact CG-CE1 4.24Å; F586-L616 HydrophobicContact CB-CB 4.35Å; F586-L616 HydrophobicContact CD1-CD1 4.17Å; F586-L616 PolarHBondContact N-O 3.44Å; F586-L616 PolarHBondContact O-N 2.96Å
587	C	94.4	Very high	94	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	122.3	174.9	-175.5	0	0	0	0	110.1	D589 C592 F593 K594 F596 W601 H605 H613	C587-D589 VanDerWaalsContact C-N 3.32Å; C587-D589 PolarHBondContact O-N 3.47Å; C587-C592 HydrophobicContact CB-CB 3.71Å; C587-C592 WeakPolarHBondContact SG-CB 3.42Å; C587-F593 WeakPolarHBondContact O-CA 3.08Å; C587-K594 PolarHBondContact N-O 3.5Å; C587-F596 HydrophobicContact CB-CD2 4.22Å; C587-F596 HydrophobicContact CB-CE2 3.73Å; C587-W601 HydrophobicContact CB-CH2 3.85Å; C587-W601 HydrophobicContact CB-CZ3 3.56Å; C587-H605 PolarHBondContact SG-NE2 2.91Å; C587-H613 PolarHBondContact SG-ND1 3.23Å
588	R	91.5	Very high	93.8	Very high	35 Å²	35	51.4 Å²	51.4	13%	0.132	28%	0.278	C	S	.	.			trans	-65.4	-35.2	-180	-169.3	-166.4	-176.1	96.7	21.6	112.8	H342 V548 A551 I566 D567 F593 S614 L616	H342-R588 PolarHBondContact CE1-NH1 3.45Å; H342-R588 VanDerWaalsContact CE1-NH1 3.32Å; H342-R588 PolarHBondContact NE2-NH1 3.33Å; V548-R588 PolarHBondContact O-NH2 2.87Å; A551-R588 VanDerWaalsContact CA-NH2 3.33Å; A551-R588 VanDerWaalsContact CB-NH2 3.3Å; I566-R588 PolarHBondContact O-NH2 3.47Å; D567-R588 IonicContact OD1-CZ 2.81Å; D567-R588 IonicContact OD1-NH1 2.68Å; D567-R588 PolarHBondContact OD1-NH1 3.12Å; D567-R588 IonicContact OD1-NH2 2.84Å; R588-F593 VanDerWaalsContact O-CD2 3.32Å; R588-F593 WeakPolarHBondContact O-CD2 3.22Å; R588-S614 PolarHBondContact N-O 2.97Å; R588-L616 HydrophobicContact CB-CD1 4.07Å; R588-L616 HydrophobicContact CB-CG 4.16Å; R588-L616 HydrophobicContact CG-CD1 4.22Å
589	D	92.3	Very high	93.7	Very high	50 Å²	50	53.7 Å²	53.7	27%	0.267	29%	0.294	S	S	.	.	S	Bend	trans	-69.7	135.2	-166.8	-59.4	-87.8	0	0	0	112.4	C587 V591 C592 F593 H613 S614	C587-D589 VanDerWaalsContact C-N 3.32Å; C587-D589 PolarHBondContact O-N 3.47Å; D589-V591 PolarHBondContact O-N 2.92Å; D589-C592 PolarHBondContact O-N 3.48Å; D589-F593 PolarHBondContact O-N 2.96Å; D589-H613 HydrophobicContact CB-CB 4.5Å; D589-H613 IonicContact OD1-CD2 3.95Å; D589-H613 WeakPolarHBondContact OD2-CA 3.46Å; D589-H613 WeakPolarHBondContact OD2-CB 3.45Å; D589-H613 IonicContact OD2-CD2 3.45Å; D589-H613 IonicContact OD2-CG 2.72Å; D589-S614 PolarHBondContact OD2-N 3.34Å
590	Q	89.9	Confident	93.7	Very high	146 Å²	146	50.3 Å²	50.3	68%	0.682	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-29.9	-170.3	-64.7	-175.2	3.9	0	0	113.9	S549 C592	S549-Q590 PolarHBondContact OG-NE2 3.38Å; Q590-C592 VanDerWaalsContact C-N 3.26Å; Q590-C592 PolarHBondContact O-N 3.02Å
591	V	92.1	Very high	93.6	Very high	106 Å²	106	46.8 Å²	46.8	64%	0.642	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68	-25.4	177.7	178.8	0	0	0	0	112.4	D589 L610	D589-V591 PolarHBondContact O-N 2.92Å; V591-L610 HydrophobicContact CG1-CD2 4.2Å
592	C	93.5	Very high	93.6	Very high	11 Å²	11	46.9 Å²	46.9	7%	0.074	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-48.4	-179.4	-79.3	0	0	0	0	113	C587 D589 Q590 K594 F596	C587-C592 HydrophobicContact CB-CB 3.71Å; C587-C592 WeakPolarHBondContact SG-CB 3.42Å; D589-C592 PolarHBondContact O-N 3.48Å; Q590-C592 VanDerWaalsContact C-N 3.26Å; Q590-C592 PolarHBondContact O-N 3.02Å; C592-K594 VanDerWaalsContact O-CB 3.22Å; C592-K594 WeakPolarHBondContact O-CB 3.36Å; C592-K594 WeakPolarHBondContact O-CG 3.37Å; C592-K594 PolarHBondContact O-N 3.38Å; C592-F596 HydrophobicContact CB-CE2 4.29Å; C592-F596 HydrophobicContact CB-CZ 4.26Å
593	F	93.4	Very high	93.5	Very high	43 Å²	43	51.1 Å²	51.1	19%	0.189	25%	0.25	C	C	.	.			trans	29.7	45.9	171.2	-146	-104.6	0	0	0	117.4	Y544 L545 V548 P568 F586 C587 R588 D589	Y544-F593 HydrophobicContact CE1-CE1 4.21Å; Y544-F593 HydrophobicContact CE1-CZ 4.19Å; L545-F593 HydrophobicContact CD2-CE1 4.3Å; L545-F593 HydrophobicContact CD2-CZ 4.37Å; V548-F593 HydrophobicContact CG1-CE2 3.86Å; V548-F593 HydrophobicContact CG1-CZ 4.16Å; P568-F593 HydrophobicContact CB-CZ 4.41Å; P568-F593 HydrophobicContact CG-CE2 3.93Å; P568-F593 HydrophobicContact CG-CZ 3.96Å; F586-F593 AromaticContact CE1-CD2 3.9Å; F586-F593 HydrophobicContact CE1-CD2 3.9Å; F586-F593 AromaticContact CE1-CE2 3.79Å; F586-F593 HydrophobicContact CE1-CE2 3.79Å; F586-F593 HydrophobicContact CE1-CG 4.39Å; F586-F593 HydrophobicContact CE1-CZ 4.19Å; F586-F593 AromaticContact CZ-CD1 3.89Å; F586-F593 HydrophobicContact CZ-CD1 3.89Å; F586-F593 AromaticContact CZ-CD2 3.82Å; F586-F593 HydrophobicContact CZ-CD2 3.82Å; F586-F593 AromaticContact CZ-CE1 3.89Å; F586-F593 HydrophobicContact CZ-CE1 3.89Å; F586-F593 AromaticContact CZ-CE2 3.8Å; F586-F593 HydrophobicContact CZ-CE2 3.8Å; F586-F593 AromaticContact CZ-CG 3.86Å; F586-F593 HydrophobicContact CZ-CG 3.86Å; F586-F593 AromaticContact CZ-CZ 3.85Å; F586-F593 HydrophobicContact CZ-CZ 3.85Å; C587-F593 WeakPolarHBondContact O-CA 3.08Å; R588-F593 VanDerWaalsContact O-CD2 3.32Å; R588-F593 WeakPolarHBondContact O-CD2 3.22Å; D589-F593 PolarHBondContact O-N 2.96Å
594	K	95	Very high	93.3	Very high	99 Å²	99	54.3 Å²	54.3	43%	0.43	26%	0.26	S	S	.	.	S	Bend	trans	-149.9	166.8	-171.3	-67.6	-68.5	176.9	-166.9	0	110.9	H576 F586 C587 C592 F596	H576-K594 HydrophobicContact CB-CB 3.96Å; H576-K594 HydrophobicContact CB-CG 4.37Å; F586-K594 WeakPolarHBondContact CA-O 3.44Å; C587-K594 PolarHBondContact N-O 3.5Å; C592-K594 VanDerWaalsContact O-CB 3.22Å; C592-K594 WeakPolarHBondContact O-CB 3.36Å; C592-K594 WeakPolarHBondContact O-CG 3.37Å; C592-K594 PolarHBondContact O-N 3.38Å; K594-F596 HydrophobicContact CB-CE2 4Å; K594-F596 HydrophobicContact CB-CZ 3.99Å; K594-F596 VanDerWaalsContact O-CD2 3.27Å; K594-F596 WeakPolarHBondContact O-CD2 3.49Å; K594-F596 WeakPolarHBondContact O-CE2 3.42Å
595	Y	95.3	Very high	93.2	Very high	36 Å²	36	52.6 Å²	52.6	14%	0.141	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	140.4	174.9	-63.1	-87.3	0	0	0	111.8	L570 E571 S573 H576 G583 F585 F586	L570-Y595 WeakPolarHBondContact CA-OH 3.42Å; L570-Y595 HydrophobicContact CD2-CE1 4.2Å; E571-Y595 PolarHBondContact N-OH 3Å; E571-Y595 WeakPolarHBondContact O-CE1 3.32Å; S573-Y595 WeakPolarHBondContact OG-CE2 3.29Å; H576-Y595 WeakPolarHBondContact CB-O 3.34Å; H576-Y595 PolarHBondContact N-O 3Å; G583-Y595 WeakPolarHBondContact O-CD1 3.38Å; F585-Y595 CarbonylContact O-C 3.52Å; F585-Y595 WeakPolarHBondContact O-CA 3.36Å; F586-Y595 HydrophobicContact CB-CD1 3.96Å; F586-Y595 HydrophobicContact CB-CE1 3.96Å; F586-Y595 AromaticContact CD2-CD1 3.82Å; F586-Y595 HydrophobicContact CD2-CD1 3.82Å; F586-Y595 AromaticContact CD2-CD2 3.86Å; F586-Y595 HydrophobicContact CD2-CD2 3.86Å; F586-Y595 AromaticContact CD2-CE1 3.68Å; F586-Y595 HydrophobicContact CD2-CE1 3.68Å; F586-Y595 AromaticContact CD2-CE2 3.7Å; F586-Y595 HydrophobicContact CD2-CE2 3.7Å; F586-Y595 AromaticContact CD2-CG 3.92Å; F586-Y595 HydrophobicContact CD2-CG 3.92Å; F586-Y595 AromaticContact CD2-CZ 3.61Å; F586-Y595 HydrophobicContact CE2-CD2 4.29Å; F586-Y595 AromaticContact CE2-CE2 3.99Å; F586-Y595 HydrophobicContact CE2-CE2 3.99Å; F586-Y595 HydrophobicContact CG-CD1 4.4Å; F586-Y595 HydrophobicContact CG-CE1 4.24Å
596	F	95.3	Very high	92.9	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.018	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.6	-179.3	-57.7	-86.7	0	0	0	110.8	I577 G583 F585 C587 C592 K594 C600 W601 R604	I577-F596 HydrophobicContact CD1-CD1 3.95Å; I577-F596 HydrophobicContact CD1-CE1 3.8Å; I577-F596 HydrophobicContact CG1-CD1 4.12Å; I577-F596 HydrophobicContact CG1-CE1 3.97Å; G583-F596 CarbonylContact C-O 3.36Å; G583-F596 VanDerWaalsContact CA-O 3.24Å; G583-F596 WeakPolarHBondContact CA-O 3.15Å; F585-F596 WeakPolarHBondContact CD2-O 3.36Å; F585-F596 PolarHBondContact N-O 3.04Å; F585-F596 PolarHBondContact O-N 3.34Å; C587-F596 HydrophobicContact CB-CD2 4.22Å; C587-F596 HydrophobicContact CB-CE2 3.73Å; C592-F596 HydrophobicContact CB-CE2 4.29Å; C592-F596 HydrophobicContact CB-CZ 4.26Å; K594-F596 HydrophobicContact CB-CE2 4Å; K594-F596 HydrophobicContact CB-CZ 3.99Å; K594-F596 VanDerWaalsContact O-CD2 3.27Å; K594-F596 WeakPolarHBondContact O-CD2 3.49Å; K594-F596 WeakPolarHBondContact O-CE2 3.42Å; F596-C600 HydrophobicContact CD1-CB 4.42Å; F596-W601 HydrophobicContact CB-CB 4.16Å; F596-W601 HydrophobicContact CB-CE3 4.27Å; F596-W601 AromaticContact CD2-CE3 3.98Å; F596-W601 HydrophobicContact CD2-CE3 3.98Å; F596-W601 HydrophobicContact CD2-CZ3 4.26Å; F596-W601 HydrophobicContact CG-CE3 4.41Å; F596-R604 HydrophobicContact CE1-CB 4.44Å; F596-R604 HydrophobicContact CE1-CG 4.24Å; F596-R604 HydrophobicContact CZ-CG 4.45Å
597	C	94.8	Very high	92.5	Very high	14 Å²	14	59.4 Å²	59.4	10%	0.095	29%	0.288	C	S	.	.			trans	-80.4	166.2	162.3	73.1	0	0	0	0	110.1	C575 Q581 P582 S599 C600 W601	C575-C597 HydrophobicContact CB-CB 3.9Å; C575-C597 PolarHBondContact SG-N 3.14Å; C575-C597 VanDerWaalsContact SG-SG 3.69Å; Q581-C597 HydrophobicContact CB-CB 4.03Å; P582-C597 WeakPolarHBondContact O-CB 3.48Å; C597-S599 PolarHBondContact O-N 3.32Å; C597-C600 PolarHBondContact O-N 2.82Å; C597-C600 VanDerWaalsContact O-N 3.16Å; C597-W601 PolarHBondContact O-N 3.48Å
598	R	92.9	Very high	91.7	Very high	93 Å²	93	66.5 Å²	66.5	35%	0.351	32%	0.322	S	S	.	.	H	α-helix	trans	-51.3	-50.8	-175.2	-169.4	176.7	-179.2	92.1	5.4	113	I335 E336 F585 C600 W601 H602	I335-R598 HydrophobicContact CD1-CG 4.04Å; E336-R598 IonicContact OE1-CZ 2.67Å; E336-R598 IonicContact OE1-NH1 2.76Å; E336-R598 PolarHBondContact OE1-NH1 2.9Å; E336-R598 IonicContact OE2-CZ 3.89Å; E336-R598 IonicContact OE2-NH1 2.64Å; E336-R598 PolarHBondContact OE2-NH1 3.16Å; F585-R598 HydrophobicContact CE2-CB 3.88Å; F585-R598 HydrophobicContact CE2-CG 4.44Å; R598-C600 PolarHBondContact O-N 3.35Å; R598-W601 PolarHBondContact O-N 2.9Å; R598-H602 PolarHBondContact O-CD2 3.17Å; R598-H602 PolarHBondContact O-N 2.72Å; R598-H602 VanDerWaalsContact O-N 3.14Å
599	S	93.6	Very high	91.2	Very high	92 Å²	92	67.1 Å²	67.1	64%	0.643	34%	0.338	S	S	*	.	H	α-helix	trans	-64.1	-42.9	-178.7	-44.2	0	0	0	0	112.4	C597 H602 W603	C597-S599 PolarHBondContact O-N 3.32Å; S599-H602 PolarHBondContact O-N 3.41Å; S599-W603 WeakPolarHBondContact O-CB 3.28Å; S599-W603 PolarHBondContact O-N 3.23Å
600	C	94.9	Very high	91	Very high	15 Å²	15	65.7 Å²	65.7	10%	0.101	33%	0.331	C	S	.	.	H	α-helix	trans	-70.4	-31.6	178.3	-69.1	0	0	0	0	112.7	C575 I577 F596 C597 R598 R604	C575-C600 VanDerWaalsContact SG-CB 3.51Å; I577-C600 HydrophobicContact CB-CB 4.12Å; I577-C600 HydrophobicContact CD1-CB 4.15Å; I577-C600 HydrophobicContact CG1-CB 4.49Å; F596-C600 HydrophobicContact CD1-CB 4.42Å; C597-C600 PolarHBondContact O-N 2.82Å; C597-C600 VanDerWaalsContact O-N 3.16Å; R598-C600 PolarHBondContact O-N 3.35Å; C600-R604 VanDerWaalsContact O-CB 3.29Å; C600-R604 WeakPolarHBondContact O-CB 3.4Å; C600-R604 PolarHBondContact O-N 2.94Å
601	W	94.1	Very high	90.7	Very high	11 Å²	11	66.2 Å²	66.2	4%	0.042	33%	0.326	C	S	.	.	H	α-helix	trans	-61.7	-55	171.8	179.6	-81.6	0	0	0	110.7	I335 F585 C587 F596 C597 R598 W603 R604 H605 P615	I335-W601 HydrophobicContact CD1-CB 3.89Å; I335-W601 HydrophobicContact CD1-CG 3.66Å; I335-W601 HydrophobicContact CG1-CG 4.41Å; I335-W601 HydrophobicContact CG2-CD2 4.33Å; I335-W601 HydrophobicContact CG2-CG 4.44Å; F585-W601 HydrophobicContact CB-CD2 4.48Å; F585-W601 HydrophobicContact CB-CE3 3.8Å; F585-W601 HydrophobicContact CB-CZ3 4.3Å; C587-W601 HydrophobicContact CB-CH2 3.85Å; C587-W601 HydrophobicContact CB-CZ3 3.56Å; F596-W601 HydrophobicContact CB-CB 4.16Å; F596-W601 HydrophobicContact CB-CE3 4.27Å; F596-W601 AromaticContact CD2-CE3 3.98Å; F596-W601 HydrophobicContact CD2-CE3 3.98Å; F596-W601 HydrophobicContact CD2-CZ3 4.26Å; F596-W601 HydrophobicContact CG-CE3 4.41Å; C597-W601 PolarHBondContact O-N 3.48Å; R598-W601 PolarHBondContact O-N 2.9Å; W601-W603 VanDerWaalsContact C-N 3.33Å; W601-W603 PolarHBondContact O-N 3.26Å; W601-R604 PolarHBondContact O-N 3.41Å; W601-H605 AromaticContact CD1-ND1 3.91Å; W601-H605 AromaticContact CD2-CE1 3.66Å; W601-H605 AromaticContact CD2-ND1 3.29Å; W601-H605 VanDerWaalsContact CD2-ND1 3.29Å; W601-H605 AromaticContact CE2-CE1 3.87Å; W601-H605 AromaticContact CE2-CG 3.91Å; W601-H605 AromaticContact CE2-ND1 3.37Å; W601-H605 AromaticContact CE3-CE1 3.53Å; W601-H605 AromaticContact CE3-ND1 3.68Å; W601-H605 AromaticContact CG-ND1 3.62Å; W601-H605 AromaticContact CH2-CE1 3.77Å; W601-H605 AromaticContact CZ2-CE1 3.92Å; W601-H605 AromaticContact CZ2-ND1 3.77Å; W601-H605 AromaticContact CZ3-CE1 3.61Å; W601-H605 AromaticContact NE1-ND1 3.79Å; W601-H605 WeakPolarHBondContact O-CB 3.34Å; W601-H605 PolarHBondContact O-N 3.46Å; W601-H605 PolarHBondContact O-ND1 3Å; W601-P615 HydrophobicContact CH2-CB 3.56Å; W601-P615 HydrophobicContact CH2-CG 4.4Å; W601-P615 HydrophobicContact CZ2-CB 3.62Å; W601-P615 HydrophobicContact CZ2-CG 4.07Å; W601-P615 HydrophobicContact CZ3-CB 3.99Å
602	H	92.3	Very high	90.4	Very high	80 Å²	80	68.4 Å²	68.4	37%	0.37	33%	0.329	S	S	.	.	H	α-helix	trans	-60.3	-42.1	179.5	-69.6	-63.9	0	0	0	111.7	R598 S599 S606	R598-H602 PolarHBondContact O-CD2 3.17Å; R598-H602 PolarHBondContact O-N 2.72Å; R598-H602 VanDerWaalsContact O-N 3.14Å; S599-H602 PolarHBondContact O-N 3.41Å; H602-S606 WeakPolarHBondContact O-CB 3.39Å; H602-S606 PolarHBondContact O-N 3.45Å; H602-S606 PolarHBondContact O-OG 2.88Å
603	W	91.7	Very high	90.2	Very high	173 Å²	173	68.9 Å²	68.9	66%	0.655	33%	0.33	S	S	*	.	H	α-helix	trans	-61.8	-47.1	177.3	-176.8	81.2	0	0	0	112.4	I577 S599 W601 S606	I577-W603 HydrophobicContact CD1-CE3 3.96Å; I577-W603 HydrophobicContact CD1-CZ3 4.03Å; S599-W603 WeakPolarHBondContact O-CB 3.28Å; S599-W603 PolarHBondContact O-N 3.23Å; W601-W603 VanDerWaalsContact C-N 3.33Å; W601-W603 PolarHBondContact O-N 3.26Å; W603-S606 PolarHBondContact O-OG 2.97Å; W603-S606 VanDerWaalsContact O-OG 3.06Å
604	R	90.7	Very high	90	Very high	70 Å²	70	69.1 Å²	69.1	26%	0.264	34%	0.337	S	S	.	.	H	α-helix	trans	-70.9	-41.1	-179.2	-178.9	56.5	175.8	151	-0.9	113.3	I577 F596 C600 W601 L610	I577-R604 HydrophobicContact CD1-CB 4.11Å; F596-R604 HydrophobicContact CE1-CB 4.44Å; F596-R604 HydrophobicContact CE1-CG 4.24Å; F596-R604 HydrophobicContact CZ-CG 4.45Å; C600-R604 VanDerWaalsContact O-CB 3.29Å; C600-R604 WeakPolarHBondContact O-CB 3.4Å; C600-R604 PolarHBondContact O-N 2.94Å; W601-R604 PolarHBondContact O-N 3.41Å; R604-L610 VanDerWaalsContact CZ-CD1 3.48Å; R604-L610 WeakPolarHBondContact O-CD1 3.24Å
605	H	91.5	Very high	89.9	Confident	12 Å²	12	64.5 Å²	64.5	6%	0.056	32%	0.318	C	S	.	.	H	α-helix	trans	-95.8	1.3	-173.6	-57.4	103.2	0	0	0	114	C587 W601 M607 R611 H613	C587-H605 PolarHBondContact SG-NE2 2.91Å; W601-H605 AromaticContact CD1-ND1 3.91Å; W601-H605 AromaticContact CD2-CE1 3.66Å; W601-H605 AromaticContact CD2-ND1 3.29Å; W601-H605 VanDerWaalsContact CD2-ND1 3.29Å; W601-H605 AromaticContact CE2-CE1 3.87Å; W601-H605 AromaticContact CE2-CG 3.91Å; W601-H605 AromaticContact CE2-ND1 3.37Å; W601-H605 AromaticContact CE3-CE1 3.53Å; W601-H605 AromaticContact CE3-ND1 3.68Å; W601-H605 AromaticContact CG-ND1 3.62Å; W601-H605 AromaticContact CH2-CE1 3.77Å; W601-H605 AromaticContact CZ2-CE1 3.92Å; W601-H605 AromaticContact CZ2-ND1 3.77Å; W601-H605 AromaticContact CZ3-CE1 3.61Å; W601-H605 AromaticContact NE1-ND1 3.79Å; W601-H605 WeakPolarHBondContact O-CB 3.34Å; W601-H605 PolarHBondContact O-N 3.46Å; W601-H605 PolarHBondContact O-ND1 3Å; H605-M607 VanDerWaalsContact C-N 3.28Å; H605-R611 WeakPolarHBondContact O-CA 3.44Å; H605-R611 WeakPolarHBondContact O-CG 3.34Å; H605-H613 AromaticContact CD2-CG 3.71Å; H605-H613 AromaticContact CD2-ND1 3.37Å; H605-H613 PolarHBondContact CD2-ND1 3.37Å; H605-H613 AromaticContact NE2-ND1 3.39Å; H605-H613 PolarHBondContact NE2-ND1 2.96Å
606	S	87.6	Confident	89.8	Confident	61 Å²	61	63 Å²	63	43%	0.427	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-16.2	167.7	60.6	0	0	0	0	113.5	H602 W603 R611	H602-S606 WeakPolarHBondContact O-CB 3.39Å; H602-S606 PolarHBondContact O-N 3.45Å; H602-S606 PolarHBondContact O-OG 2.88Å; W603-S606 PolarHBondContact O-OG 2.97Å; W603-S606 VanDerWaalsContact O-OG 3.06Å; S606-R611 PolarHBondContact O-NE 3.24Å; S606-R611 PolarHBondContact O-NH2 3.17Å
607	M	85.1	Confident	89.5	Confident	97 Å²	97	64.3 Å²	64.3	48%	0.478	32%	0.319	S	S	.	.	S	Bend	trans	-65.8	142	176.4	-61.4	-176.4	71.7	0	0	111.3	H605 L610	H605-M607 VanDerWaalsContact C-N 3.28Å; M607-L610 HydrophobicContact CB-CD1 4.2Å; M607-L610 PolarHBondContact O-N 3.37Å; M607-L610 VanDerWaalsContact O-N 3.09Å; M607-L610 HydrophobicContact SD-CD1 4.32Å
608	E	77.7	Confident	89.1	Confident	149 Å²	149	69.6 Å²	69.6	70%	0.696	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	139.1	177.7	-162.1	48.9	-103.2	0	0	111.2	L610	E608-L610 VanDerWaalsContact C-N 3.28Å; E608-L610 PolarHBondContact O-N 2.93Å
609	G	81.8	Confident	88.1	Confident	47 Å²	47	69.7 Å²	69.7	49%	0.485	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.7	-23	-171.4	0	0	0	0	0	116.3
610	L	87.3	Confident	86.4	Confident	21 Å²	21	72.3 Å²	72.3	11%	0.11	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-98.2	-4.5	177.6	-57.6	-179.4	0	0	0	113.8	V591 R604 M607 E608 H612 H613	V591-L610 HydrophobicContact CG1-CD2 4.2Å; R604-L610 VanDerWaalsContact CZ-CD1 3.48Å; R604-L610 WeakPolarHBondContact O-CD1 3.24Å; M607-L610 HydrophobicContact CB-CD1 4.2Å; M607-L610 PolarHBondContact O-N 3.37Å; M607-L610 VanDerWaalsContact O-N 3.09Å; M607-L610 HydrophobicContact SD-CD1 4.32Å; E608-L610 VanDerWaalsContact C-N 3.28Å; E608-L610 PolarHBondContact O-N 2.93Å; L610-H612 VanDerWaalsContact C-N 3.26Å; L610-H612 PolarHBondContact O-N 3.38Å; L610-H613 VanDerWaalsContact CD2-CE1 3.43Å; L610-H613 WeakPolarHBondContact CD2-CE1 3.4Å; L610-H613 WeakPolarHBondContact O-CB 3.46Å; L610-H613 PolarHBondContact O-N 3.48Å
611	R	84.3	Confident	84.1	Confident	156 Å²	156	76.3 Å²	76.3	59%	0.589	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-23.1	-179.2	-71.3	175.6	177.7	-153.1	-1.7	114.7	H605 S606 H613	H605-R611 WeakPolarHBondContact O-CA 3.44Å; H605-R611 WeakPolarHBondContact O-CG 3.34Å; S606-R611 PolarHBondContact O-NE 3.24Å; S606-R611 PolarHBondContact O-NH2 3.17Å; R611-H613 VanDerWaalsContact C-N 3.3Å
612	H	85.1	Confident	81.2	Confident	152 Å²	152	82 Å²	82	70%	0.704	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.9	-1.9	-178.9	-49.6	102	0	0	0	113.1	L610	L610-H612 VanDerWaalsContact C-N 3.26Å; L610-H612 PolarHBondContact O-N 3.38Å
613	H	90.8	Very high	78.4	Confident	21 Å²	21	88.8 Å²	88.8	10%	0.097	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-67.9	134.3	-177.2	-78.1	-159.3	0	0	0	112	C587 D589 H605 L610 R611	C587-H613 PolarHBondContact SG-ND1 3.23Å; D589-H613 HydrophobicContact CB-CB 4.5Å; D589-H613 IonicContact OD1-CD2 3.95Å; D589-H613 WeakPolarHBondContact OD2-CA 3.46Å; D589-H613 WeakPolarHBondContact OD2-CB 3.45Å; D589-H613 IonicContact OD2-CD2 3.45Å; D589-H613 IonicContact OD2-CG 2.72Å; H605-H613 AromaticContact CD2-CG 3.71Å; H605-H613 AromaticContact CD2-ND1 3.37Å; H605-H613 PolarHBondContact CD2-ND1 3.37Å; H605-H613 AromaticContact NE2-ND1 3.39Å; H605-H613 PolarHBondContact NE2-ND1 2.96Å; L610-H613 VanDerWaalsContact CD2-CE1 3.43Å; L610-H613 WeakPolarHBondContact CD2-CE1 3.4Å; L610-H613 WeakPolarHBondContact O-CB 3.46Å; L610-H613 PolarHBondContact O-N 3.48Å; R611-H613 VanDerWaalsContact C-N 3.3Å
614	S	88.9	Confident	75.3	Confident	48 Å²	48	86.8 Å²	86.8	34%	0.336	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-91.2	125.2	-175.3	-66.8	0	0	0	0	112.4	R588 D589	R588-S614 PolarHBondContact N-O 2.97Å; D589-S614 PolarHBondContact OD2-N 3.34Å
615	P	92.4	Very high	72.3	Confident	3 Å²	3	88.7 Å²	88.7	2%	0.019	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	131.8	173.4	30.6	-32.9	0	0	0	111.8	I335 E338 A339 W601	I335-P615 HydrophobicContact CG2-CB 3.41Å; I335-P615 VanDerWaalsContact CG2-CB 3.41Å; I335-P615 HydrophobicContact CG2-CG 3.63Å; E338-P615 HydrophobicContact CB-CG 3.61Å; A339-P615 VanDerWaalsContact CA-O 3.32Å; A339-P615 WeakPolarHBondContact CA-O 3.45Å; A339-P615 HydrophobicContact CB-CB 4.41Å; A339-P615 HydrophobicContact CB-CG 4.37Å; A339-P615 WeakPolarHBondContact CB-O 3.3Å; W601-P615 HydrophobicContact CH2-CB 3.56Å; W601-P615 HydrophobicContact CH2-CG 4.4Å; W601-P615 HydrophobicContact CZ2-CB 3.62Å; W601-P615 HydrophobicContact CZ2-CG 4.07Å; W601-P615 HydrophobicContact CZ3-CB 3.99Å
616	L	93.1	Very high	69.3	Low	5 Å²	5	97.1 Å²	97.1	3%	0.026	50%	0.502	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	142.2	167.8	-52.3	-175.3	0	0	0	109.9	H342 D567 P568 L570 F586 R588	H342-L616 HydrophobicContact CB-CD2 4.5Å; H342-L616 WeakPolarHBondContact CD2-CD2 3.46Å; H342-L616 VanDerWaalsContact NE2-CD2 3.33Å; H342-L616 WeakPolarHBondContact NE2-CD2 3.46Å; D567-L616 HydrophobicContact CB-CD1 4.44Å; P568-L616 HydrophobicContact CG-CD1 4.25Å; L570-L616 HydrophobicContact CD1-CB 3.98Å; F586-L616 HydrophobicContact CB-CB 4.35Å; F586-L616 HydrophobicContact CD1-CD1 4.17Å; F586-L616 PolarHBondContact N-O 3.44Å; F586-L616 PolarHBondContact O-N 2.96Å; R588-L616 HydrophobicContact CB-CD1 4.07Å; R588-L616 HydrophobicContact CB-CG 4.16Å; R588-L616 HydrophobicContact CG-CD1 4.22Å
617	M	90	Very high	68.4	Low	30 Å²	30	98.9 Å²	98.9	15%	0.148	51%	0.506	C	S	.	.			trans	-139.1	134.7	174.6	-66	179.5	82.6	0	0	110.8	E336 A339 R343 P584 F585	E336-M617 HydrophobicContact CB-SD 4.28Å; E336-M617 HydrophobicContact CG-CE 4.2Å; E336-M617 HydrophobicContact CG-SD 4.05Å; A339-M617 HydrophobicContact CB-CB 3.89Å; A339-M617 HydrophobicContact CB-CG 3.5Å; A339-M617 VanDerWaalsContact CB-CG 3.5Å; A339-M617 HydrophobicContact CB-SD 3.66Å; R343-M617 PolarHBondContact NH2-O 2.88Å; P584-M617 HydrophobicContact CB-CE 4.41Å; F585-M617 HydrophobicContact CD1-CE 3.97Å; F585-M617 HydrophobicContact CD1-CG 3.61Å; F585-M617 HydrophobicContact CD1-SD 3.59Å; F585-M617 VanDerWaalsContact CD1-SD 3.59Å; F585-M617 HydrophobicContact CE1-CE 3.54Å; F585-M617 HydrophobicContact CE1-CG 4.07Å; F585-M617 HydrophobicContact CE1-SD 3.39Å; F585-M617 WeakPolarHBondContact CE1-SD 3.35Å; F585-M617 HydrophobicContact CZ-CE 4.21Å
618	R	85.9	Confident	67.5	Low	126 Å²	126	99 Å²	99	48%	0.475	51%	0.507	S	S	.	.			trans	-57.8	148.1	166.9	-172.8	175.2	176.3	-163.8	3.1	110.3	R343 D572 Q620	R343-R618 PolarHBondContact NH2-O 3.4Å; D572-R618 IonicContact OD1-CZ 3.8Å; D572-R618 IonicContact OD1-NH1 3.91Å; D572-R618 PolarHBondContact OD1-NH1 3Å; D572-R618 IonicContact OD2-CZ 3.79Å; D572-R618 IonicContact OD2-NH1 3.48Å; D572-R618 PolarHBondContact OD2-NH1 3.5Å; R618-Q620 PolarHBondContact O-N 2.86Å
619	N	71.5	Confident	66.9	Low	94 Å²	94	96.2 Å²	96.2	50%	0.503	50%	0.496	S	S	.	.			trans	-65.9	102.6	168.5	-91	-7.8	0	0	0	109.1	R343 K621	R343-N619 PolarHBondContact NE-OD1 3.33Å; R343-N619 PolarHBondContact NH1-OD1 2.9Å; R343-N619 PolarHBondContact NH2-OD1 2.82Å; N619-K621 PolarHBondContact O-N 3.49Å
620	Q	58.7	Low	66	Low	147 Å²	147	99.1 Å²	99.1	69%	0.687	50%	0.497	S	S	*	.			trans	-73.4	111.8	164.5	-67.4	-178.8	0.9	0	0	107.5	R618	R618-Q620 PolarHBondContact O-N 2.86Å
621	K	45.3	Very low	64.7	Low	99 Å²	99	104 Å²	104	43%	0.43	52%	0.521	S	S	.	.			trans	-66.5	130.9	166.3	-167.9	178	-167.7	173.8	0	107.7	P243 S244 N619 R623	P243-K621 HydrophobicContact CG-CD 4.41Å; P243-K621 PolarHBondContact O-NZ 3.01Å; S244-K621 PolarHBondContact O-NZ 3.46Å; N619-K621 PolarHBondContact O-N 3.49Å; K621-R623 PolarHBondContact O-N 3.25Å; K621-R623 VanDerWaalsContact O-N 3.11Å
622	N	33.6	Very low	63.4	Low	131 Å²	131	100.5 Å²	100.5	70%	0.701	52%	0.517	S	S	*	.			trans	-54.9	121.6	166.4	-93.6	21.6	0	0	0	107.7	D624	N622-D624 PolarHBondContact O-N 3.46Å
623	R	32.5	Very low	61.9	Low	222 Å²	222	96.9 Å²	96.9	84%	0.838	50%	0.504	S	S	*	.	S	Bend	trans	-79.8	-1	-175.9	-77	179.9	63.5	-164.5	-1.6	112.7	K621 S625	K621-R623 PolarHBondContact O-N 3.25Å; K621-R623 VanDerWaalsContact O-N 3.11Å; R623-S625 PolarHBondContact O-N 3.37Å
624	D	27.2	Very low	59.6	Low	132 Å²	132	102.7 Å²	102.7	71%	0.706	54%	0.535	S	S	*	.			trans	-85.7	36.4	-170.8	-40.3	-65.4	0	0	0	112.5	N622	N622-D624 PolarHBondContact O-N 3.46Å
625	S	29	Very low	57.2	Low	110 Å²	110	107.3 Å²	107.3	77%	0.769	55%	0.551	S	S	*	*			trans	-151.1	74.4	176.8	-65.3	0	0	0	0	108.8	R623	R623-S625 PolarHBondContact O-N 3.37Å
626	S	27.1	Very low	54	Low	188 Å²	188	116.7 Å²	116.7	100%	1.315	60%	0.6	S	S	*	*			trans	-142.8	0	171.2	-67.1	0	0	0	0	108.6

Retrieved 626 of 626 residues in 1373.1 ms (Link to these results)

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