A0A077ZAY8_TRITR Loading...

Oxysterol-binding protein

AlphaFold DB , UniProt , Accession A0A077ZAY8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 711 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	31.5	Very low	27.2	Very low	245 Å²	245	154.7 Å²	154.7	100%	1.207	84%	0.838	S	S	*	*				0	122.1	0	-72.8	172.9	-179.6	0	0	107.4
2	R	26.2	Very low	26.9	Very low	239 Å²	239	150.3 Å²	150.3	90%	0.902	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-67.4	141.3	-176	-72.3	-177.1	-176.9	-175.4	1.2	110.3	I4	R2-I4 PolarHBondContact O-N 3.44Å
3	P	28.5	Very low	26.6	Very low	127 Å²	127	149.2 Å²	149.2	83%	0.825	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-72.4	125	178.5	26.3	-25.4	0	0	0	109.6	Q5	P3-Q5 PolarHBondContact O-N 3.46Å
4	I	27.1	Very low	26.3	Very low	153 Å²	153	156.3 Å²	156.3	79%	0.785	83%	0.826	S	S	*	*	P	Polyproline II helix	trans	-68.2	120.7	176.8	-68.2	168.7	0	0	0	107.9	R2 Q6	R2-I4 PolarHBondContact O-N 3.44Å; I4-Q6 PolarHBondContact O-N 3Å
5	Q	24.3	Very low	26.3	Very low	189 Å²	189	155.3 Å²	155.3	88%	0.883	82%	0.82	S	S	*	*			trans	-58.4	104.8	165.2	-74.6	175	-44	0	0	108.5	P3 S7	P3-Q5 PolarHBondContact O-N 3.46Å; Q5-S7 PolarHBondContact O-N 3.23Å
6	Q	28.8	Very low	26.5	Very low	181 Å²	181	159.3 Å²	159.3	85%	0.846	83%	0.828	S	S	*	*			trans	-80	107	167	-83.1	-175.6	-19.1	0	0	108.3	I4	I4-Q6 PolarHBondContact O-N 3Å
7	S	27.4	Very low	26.8	Very low	111 Å²	111	156.2 Å²	156.2	78%	0.776	82%	0.818	S	S	*	*			trans	-57.1	137	167.8	48.4	0	0	0	0	110.5	Q5 G9	Q5-S7 PolarHBondContact O-N 3.23Å; S7-G9 VanDerWaalsContact C-N 3.34Å; S7-G9 PolarHBondContact O-N 3.07Å
8	S	29.4	Very low	26.8	Very low	124 Å²	124	152.3 Å²	152.3	87%	0.867	82%	0.821	S	S	*	*			trans	-61.7	88.1	177	-39.8	0	0	0	0	110.7	I10	S8-I10 PolarHBondContact O-N 3.34Å
9	G	26.6	Very low	26.9	Very low	60 Å²	60	155.4 Å²	155.4	62%	0.619	82%	0.822	S	S	*	*			trans	-74.5	111.2	173.5	0	0	0	0	0	110.6	S7 V11	S7-G9 VanDerWaalsContact C-N 3.34Å; S7-G9 PolarHBondContact O-N 3.07Å; G9-V11 PolarHBondContact O-N 3.32Å
10	I	26.3	Very low	26.8	Very low	156 Å²	156	157.3 Å²	157.3	80%	0.8	83%	0.826	S	S	*	*			trans	-63.7	102.5	166.3	-64.1	169.8	0	0	0	107.4	S8 C12	S8-I10 PolarHBondContact O-N 3.34Å; I10-C12 PolarHBondContact O-N 3.02Å
11	V	23.4	Very low	26.8	Very low	117 Å²	117	156 Å²	156	71%	0.709	82%	0.819	S	S	*	*			trans	-87.7	93.2	173.3	-179.2	0	0	0	0	108.3	G9 L13	G9-V11 PolarHBondContact O-N 3.32Å; V11-L13 HydrophobicContact CG1-CD1 3.66Å; V11-L13 PolarHBondContact O-N 2.97Å; V11-L13 VanDerWaalsContact O-N 3.12Å
12	C	23.1	Very low	26.5	Very low	101 Å²	101	149.4 Å²	149.4	68%	0.682	80%	0.796	S	S	*	*			trans	-73.8	91.7	168.5	-72.5	0	0	0	0	109.5	I10 W14	I10-C12 PolarHBondContact O-N 3.02Å; C12-W14 PolarHBondContact O-N 3.23Å
13	L	22.6	Very low	26.4	Very low	137 Å²	137	144 Å²	144	72%	0.717	78%	0.784	S	S	*	*			trans	-81.2	113.5	169.5	-123.6	97.1	0	0	0	109.7	V11 L15	V11-L13 HydrophobicContact CG1-CD1 3.66Å; V11-L13 PolarHBondContact O-N 2.97Å; V11-L13 VanDerWaalsContact O-N 3.12Å; L13-L15 PolarHBondContact O-N 3.15Å; L13-L15 VanDerWaalsContact O-N 3.12Å
14	W	22.6	Very low	26.1	Very low	248 Å²	248	143.4 Å²	143.4	94%	0.939	78%	0.781	S	S	*	*			trans	-66.2	102	172.1	-81.2	77.6	0	0	0	110.3	C12	C12-W14 PolarHBondContact O-N 3.23Å
15	L	26.2	Very low	26	Very low	141 Å²	141	141.4 Å²	141.4	74%	0.738	78%	0.776	S	S	*	*			trans	-96.9	130.3	166	-75.9	171.6	0	0	0	110.1	L13 T17	L13-L15 PolarHBondContact O-N 3.15Å; L13-L15 VanDerWaalsContact O-N 3.12Å; L15-T17 PolarHBondContact O-N 3.35Å
16	K	30.7	Very low	26	Very low	220 Å²	220	136.6 Å²	136.6	96%	0.957	77%	0.769	S	S	*	*	S	Bend	trans	-68.5	27.3	-165.9	-121.3	179.3	-175.3	-179.4	0	115.9
17	T	30.2	Very low	25.7	Very low	107 Å²	107	132.1 Å²	132.1	66%	0.656	76%	0.763	S	S	*	*	S	Bend	trans	-124.1	104.7	177.4	54.3	0	0	0	0	107.4	L15 Y19	L15-T17 PolarHBondContact O-N 3.35Å; T17-Y19 PolarHBondContact O-N 3.34Å
18	G	27.4	Very low	25.5	Very low	85 Å²	85	133.4 Å²	133.4	88%	0.876	76%	0.761	S	S	*	*			trans	-65.9	51.4	-167.8	0	0	0	0	0	116.6
19	Y	28.9	Very low	25.4	Very low	212 Å²	212	132.9 Å²	132.9	83%	0.831	76%	0.757	S	S	*	*			trans	-123.6	100.6	169.1	-69.5	-78.1	0	0	0	107.7	T17 L21	T17-Y19 PolarHBondContact O-N 3.34Å; Y19-L21 VanDerWaalsContact C-N 3.29Å; Y19-L21 PolarHBondContact O-N 2.9Å
20	Q	25.4	Very low	25.3	Very low	193 Å²	193	137.3 Å²	137.3	90%	0.902	77%	0.767	S	S	*	*			trans	-73.7	84.5	176	-165.7	160.1	-11.7	0	0	108.7	C22	Q20-C22 PolarHBondContact O-N 3.36Å
21	L	26.2	Very low	25.3	Very low	130 Å²	130	133.7 Å²	133.7	68%	0.681	76%	0.76	S	S	*	*			trans	-87.5	99.1	161.8	-138.8	89.5	0	0	0	106.6	Y19 L23	Y19-L21 VanDerWaalsContact C-N 3.29Å; Y19-L21 PolarHBondContact O-N 2.9Å; L21-L23 PolarHBondContact O-N 3.28Å
22	C	24.5	Very low	25.4	Very low	106 Å²	106	136.9 Å²	136.9	72%	0.716	77%	0.769	S	S	*	*			trans	-69.4	87.9	172.6	-158.3	0	0	0	0	108	Q20 C24	Q20-C22 PolarHBondContact O-N 3.36Å; C22-C24 PolarHBondContact O-N 3.41Å
23	L	24.2	Very low	25.3	Very low	127 Å²	127	139.1 Å²	139.1	67%	0.665	78%	0.775	S	S	*	*			trans	-71.6	83.3	169.3	-94	149.4	0	0	0	107.9	L21 V25	L21-L23 PolarHBondContact O-N 3.28Å; L23-V25 HydrophobicContact CB-CG2 4.33Å; L23-V25 HydrophobicContact CD2-CG2 3.96Å; L23-V25 PolarHBondContact O-N 3.23Å
24	C	23.4	Very low	25.3	Very low	113 Å²	113	141.2 Å²	141.2	76%	0.764	78%	0.781	S	S	*	*			trans	-69.3	77.3	158	-63.5	0	0	0	0	107.5	C22 A26	C22-C24 PolarHBondContact O-N 3.41Å; C24-A26 PolarHBondContact O-N 3.19Å
25	V	23.7	Very low	25.4	Very low	112 Å²	112	136 Å²	136	68%	0.679	78%	0.777	S	S	*	*			trans	-70.7	93	162.2	-175.4	0	0	0	0	105	L23 A27	L23-V25 HydrophobicContact CB-CG2 4.33Å; L23-V25 HydrophobicContact CD2-CG2 3.96Å; L23-V25 PolarHBondContact O-N 3.23Å; V25-A27 PolarHBondContact O-N 3.09Å
26	A	24.2	Very low	25.2	Very low	88 Å²	88	132.7 Å²	132.7	73%	0.727	78%	0.777	S	S	*	*			trans	-61.4	90.9	162	0	0	0	0	0	106.7	C24 D28	C24-A26 PolarHBondContact O-N 3.19Å; A26-D28 PolarHBondContact O-N 3.4Å
27	A	23.5	Very low	24.9	Very low	87 Å²	87	126.3 Å²	126.3	72%	0.719	77%	0.773	S	S	*	*			trans	-72.4	75.4	164.2	0	0	0	0	0	107.3	V25	V25-A27 PolarHBondContact O-N 3.09Å
28	D	22.8	Very low	25	Very low	137 Å²	137	125.8 Å²	125.8	73%	0.733	78%	0.78	S	S	*	*			trans	-151.6	64.7	163.7	-97.8	-23.9	0	0	0	108.4	A26 N30	A26-D28 PolarHBondContact O-N 3.4Å; D28-N30 VanDerWaalsContact C-N 3.33Å
29	S	27.5	Very low	25.1	Very low	113 Å²	113	131 Å²	131	79%	0.79	78%	0.778	S	S	*	*	S	Bend	trans	-90.8	8.2	166.8	60.8	0	0	0	0	113.1
30	N	25.3	Very low	25.5	Very low	154 Å²	154	125.9 Å²	125.9	82%	0.824	77%	0.771	S	S	*	*	S	Bend	trans	-118.4	11.6	-178	-85.4	-0.2	0	0	0	115.5	D28	D28-N30 VanDerWaalsContact C-N 3.33Å
31	A	25.2	Very low	26.7	Very low	79 Å²	79	120.1 Å²	120.1	65%	0.653	76%	0.756	S	S	*	*	S	Bend	trans	-105.3	15.7	175.2	0	0	0	0	0	114.6
32	M	25	Very low	27.9	Very low	184 Å²	184	116.5 Å²	116.5	91%	0.906	74%	0.741	S	S	*	*	S	Bend	trans	-120.1	51.3	170.7	-68.1	-151.1	172.6	0	0	111.8
33	N	22.6	Very low	30.2	Very low	149 Å²	149	116 Å²	116	80%	0.797	73%	0.728	S	S	*	*	S	Bend	trans	-150.9	84.5	159.8	-96	-17.1	0	0	0	106.4
34	E	21.8	Very low	33.4	Very low	180 Å²	180	112.5 Å²	112.5	84%	0.841	71%	0.71	S	S	*	*	S	Bend	trans	176.8	116	144.6	-97.3	168	-162	0	0	111.2
35	T	24.3	Very low	36.8	Very low	140 Å²	140	111.7 Å²	111.7	86%	0.859	69%	0.693	S	S	*	*			trans	64.2	106.9	148.3	66.2	0	0	0	0	119.9
36	G	23.3	Very low	40.2	Very low	71 Å²	71	106.8 Å²	106.8	73%	0.732	67%	0.666	S	S	*	*			trans	139.4	103.3	158.2	0	0	0	0	0	111.6	A38	G36-A38 PolarHBondContact O-N 2.98Å
37	G	23.3	Very low	43.6	Very low	85 Å²	85	106.3 Å²	106.3	88%	0.876	65%	0.646	S	S	*	*			trans	-51.2	100.7	-179.4	0	0	0	0	0	112.6	K39	G37-K39 PolarHBondContact O-N 3.48Å; G37-K39 VanDerWaalsContact O-N 3.12Å
38	A	32.6	Very low	47.1	Very low	97 Å²	97	102.2 Å²	102.2	80%	0.802	61%	0.611	S	S	*	*			trans	-69.7	107.7	171.5	0	0	0	0	0	107.8	G36	G36-A38 PolarHBondContact O-N 2.98Å
39	K	29.4	Very low	50.6	Low	194 Å²	194	99.8 Å²	99.8	84%	0.843	59%	0.593	S	S	*	*			trans	-48.7	134	166.7	-79.7	178.8	175.9	174.2	0	108.5	G37	G37-K39 PolarHBondContact O-N 3.48Å; G37-K39 VanDerWaalsContact O-N 3.12Å
40	P	36.5	Very low	53.9	Low	104 Å²	104	95.6 Å²	95.6	68%	0.675	56%	0.56	S	S	*	*			trans	-56.8	146	-176.8	21.2	-30.7	0	0	0	111.5	C42	P40-C42 PolarHBondContact O-N 3.24Å
41	A	50.5	Low	56.9	Low	73 Å²	73	91.2 Å²	91.2	60%	0.603	53%	0.532	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.8	120.3	-168.3	0	0	0	0	0	114.8	E43	A41-E43 VanDerWaalsContact C-N 3.3Å; A41-E43 PolarHBondContact O-N 3.27Å
42	C	52	Low	59.6	Low	54 Å²	54	89.6 Å²	89.6	37%	0.365	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	23	59	167.7	-85.6	0	0	0	0	116	P40 L44 R136	P40-C42 PolarHBondContact O-N 3.24Å; C42-L44 PolarHBondContact O-N 3.04Å; C42-R136 PolarHBondContact SG-NH1 3.25Å; C42-R136 VanDerWaalsContact SG-NH1 3.38Å
43	E	73.6	Confident	61.9	Low	95 Å²	95	83.9 Å²	83.9	44%	0.444	49%	0.487	S	S	.	.			trans	-86.1	100.6	166.6	-69.9	-164.9	172.4	0	0	109.3	A41 K45 L65 A66	A41-E43 VanDerWaalsContact C-N 3.3Å; A41-E43 PolarHBondContact O-N 3.27Å; E43-K45 WeakPolarHBondContact OE2-CE 3.36Å; E43-K45 IonicContact OE2-NZ 2.81Å; E43-K45 PolarHBondContact OE2-NZ 3.49Å; E43-L65 WeakPolarHBondContact CA-O 3.47Å; E43-A66 HydrophobicContact CG-CB 4.27Å
44	L	91.8	Very high	63.8	Low	53 Å²	53	84.1 Å²	84.1	28%	0.277	48%	0.478	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	123.9	168.4	-174	62.7	0	0	0	108.9	C42 L65 W126 A129	C42-L44 PolarHBondContact O-N 3.04Å; L44-L65 HydrophobicContact CB-CB 4.23Å; L44-L65 HydrophobicContact CB-CD2 4.3Å; L44-L65 PolarHBondContact N-O 2.93Å; L44-L65 WeakPolarHBondContact O-CB 3.41Å; L44-L65 PolarHBondContact O-N 3.35Å; L44-W126 HydrophobicContact CB-CZ3 4.35Å; L44-W126 HydrophobicContact CD2-CD2 3.6Å; L44-W126 HydrophobicContact CD2-CE3 3.56Å; L44-W126 HydrophobicContact CD2-CG 4.1Å; L44-W126 HydrophobicContact CD2-CH2 4.3Å; L44-W126 HydrophobicContact CD2-CZ2 4.36Å; L44-W126 HydrophobicContact CD2-CZ3 3.91Å; L44-W126 HydrophobicContact CG-CD2 4.35Å; L44-W126 HydrophobicContact CG-CE3 4.18Å; L44-W126 HydrophobicContact CG-CH2 4.05Å; L44-W126 HydrophobicContact CG-CZ2 4.24Å; L44-W126 HydrophobicContact CG-CZ3 4.01Å; L44-A129 HydrophobicContact CB-CB 4.26Å; L44-A129 HydrophobicContact CD2-CB 3.59Å
45	K	93.7	Very high	65.9	Low	96 Å²	96	83.7 Å²	83.7	42%	0.417	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	133.4	177.4	-54.9	179.9	-174.5	162.2	0	108.7	E43 W62 F63 V64	E43-K45 WeakPolarHBondContact OE2-CE 3.36Å; E43-K45 IonicContact OE2-NZ 2.81Å; E43-K45 PolarHBondContact OE2-NZ 3.49Å; K45-W62 HydrophobicContact CB-CH2 4.4Å; K45-W62 HydrophobicContact CB-CZ2 3.66Å; K45-F63 VanDerWaalsContact CA-O 3.28Å; K45-F63 WeakPolarHBondContact CA-O 3.49Å; K45-V64 HydrophobicContact CB-CG2 4.5Å; K45-V64 HydrophobicContact CD-CG1 4.22Å; K45-V64 HydrophobicContact CD-CG2 4.22Å; K45-V64 HydrophobicContact CG-CB 4.33Å; K45-V64 HydrophobicContact CG-CG1 4.03Å; K45-V64 HydrophobicContact CG-CG2 4.05Å
46	G	94.3	Very high	68.2	Low	10 Å²	10	83.4 Å²	83.4	10%	0.103	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-176	174.5	-175.6	0	0	0	0	0	113.4	W62 F63	G46-W62 VanDerWaalsContact C-CE3 3.47Å; G46-W62 VanDerWaalsContact C-CZ3 3.45Å; G46-W62 VanDerWaalsContact CA-CZ3 3.42Å; G46-F63 PolarHBondContact N-O 2.96Å; G46-F63 PolarHBondContact O-N 3.01Å
47	W	96.4	Very high	71	Confident	78 Å²	78	80.7 Å²	80.7	30%	0.295	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	132.6	175.9	-71.8	106.5	0	0	0	110	K60 R61 W62 R74 N75 K76	W47-K60 HydrophobicContact CB-CG 4.41Å; W47-K60 HydrophobicContact CD2-CD 4.16Å; W47-K60 HydrophobicContact CD2-CG 4.19Å; W47-K60 HydrophobicContact CE3-CB 4.39Å; W47-K60 HydrophobicContact CE3-CD 3.96Å; W47-K60 HydrophobicContact CE3-CG 3.59Å; W47-K60 HydrophobicContact CG-CD 4.47Å; W47-K60 VanDerWaalsContact CG-CE 3.5Å; W47-K60 HydrophobicContact CZ3-CD 4.41Å; W47-K60 HydrophobicContact CZ3-CG 4.12Å; W47-R61 WeakPolarHBondContact CA-O 3.5Å; W47-R61 VanDerWaalsContact CE3-O 3.31Å; W47-W62 AromaticContact CD1-CE3 3.67Å; W47-W62 AromaticContact CD1-CZ3 3.52Å; W47-W62 AromaticContact CD2-CE3 3.69Å; W47-W62 HydrophobicContact CD2-CE3 3.69Å; W47-W62 HydrophobicContact CD2-CZ3 4.34Å; W47-W62 AromaticContact CE2-CE3 3.64Å; W47-W62 HydrophobicContact CE3-CB 4.24Å; W47-W62 HydrophobicContact CE3-CE3 4.37Å; W47-W62 AromaticContact CG-CE3 3.74Å; W47-W62 HydrophobicContact CG-CE3 3.74Å; W47-W62 AromaticContact CG-CZ3 3.97Å; W47-W62 HydrophobicContact CG-CZ3 3.97Å; W47-W62 HydrophobicContact CH2-CB 4.44Å; W47-W62 HydrophobicContact CZ2-CE3 4.33Å; W47-W62 HydrophobicContact CZ3-CB 4.15Å; W47-W62 AromaticContact NE1-CE3 3.6Å; W47-W62 AromaticContact NE1-CZ3 3.64Å; W47-R74 WeakPolarHBondContact CZ3-O 3.47Å; W47-N75 HydrophobicContact CH2-CB 4.15Å; W47-K76 HydrophobicContact CZ2-CG 4.46Å
48	L	97.2	Very high	74.3	Confident	0 Å²	0	80 Å²	80	0%	0	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	158	164.2	-68.5	168.7	0	0	0	108.7	R61 F63 F102 L115 A117 W126	L48-R61 PolarHBondContact N-O 2.92Å; L48-R61 PolarHBondContact O-N 3.5Å; L48-R61 VanDerWaalsContact O-O 3.06Å; L48-F63 HydrophobicContact CB-CD2 3.57Å; L48-F63 HydrophobicContact CB-CE2 3.66Å; L48-F63 HydrophobicContact CB-CG 4.43Å; L48-F63 HydrophobicContact CD1-CB 4.42Å; L48-F63 HydrophobicContact CD1-CD2 4.06Å; L48-F63 HydrophobicContact CD1-CE2 4.44Å; L48-F63 HydrophobicContact CD1-CG 4.1Å; L48-F63 HydrophobicContact CG-CD2 4.19Å; L48-F102 HydrophobicContact CD1-CZ 3.82Å; L48-F102 HydrophobicContact CD2-CE1 4.22Å; L48-F102 HydrophobicContact CD2-CZ 4.26Å; L48-L115 HydrophobicContact CD1-CD1 4.16Å; L48-A117 HydrophobicContact CD2-CB 3.81Å; L48-W126 HydrophobicContact CD1-CD2 3.71Å; L48-W126 HydrophobicContact CD1-CE3 4.12Å; L48-W126 HydrophobicContact CD1-CG 4.03Å; L48-W126 HydrophobicContact CD1-CH2 4.49Å; L48-W126 HydrophobicContact CD1-CZ2 4.09Å; L48-W126 HydrophobicContact CD1-CZ3 4.5Å; L48-W126 HydrophobicContact CD2-CD2 4.48Å; L48-W126 HydrophobicContact CD2-CG 4.14Å; L48-W126 HydrophobicContact CG-CD2 4.26Å; L48-W126 HydrophobicContact CG-CG 4.43Å; L48-W126 HydrophobicContact CG-CZ2 4.16Å
49	Y	96.9	Very high	77.1	Confident	87 Å²	87	78.4 Å²	78.4	34%	0.341	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	123	169.4	-64.3	-89.7	0	0	0	108.8	Q59 K60 L115 R116	Y49-Q59 WeakPolarHBondContact CA-O 3.46Å; Y49-K60 HydrophobicContact CD1-CB 3.94Å; Y49-K60 HydrophobicContact CD1-CG 4.19Å; Y49-K60 HydrophobicContact CE1-CB 3.71Å; Y49-K60 HydrophobicContact CE1-CD 4.25Å; Y49-K60 HydrophobicContact CE1-CG 3.79Å; Y49-L115 CarbonylContact O-C 3.55Å; Y49-L115 WeakPolarHBondContact O-CA 3.4Å; Y49-R116 PolarHBondContact N-O 3.25Å; Y49-R116 PolarHBondContact O-N 2.98Å
50	K	95.2	Very high	80.2	Confident	24 Å²	24	73.7 Å²	73.7	10%	0.104	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	131.8	176.8	-173.4	-174.3	173.9	-68.9	0	109.7	T52 Q59 R61 F63 Y72 L115	K50-T52 PolarHBondContact O-N 3.46Å; K50-Q59 PolarHBondContact N-O 3.31Å; K50-Q59 PolarHBondContact O-N 2.97Å; K50-R61 HydrophobicContact CB-CG 4.06Å; K50-F63 HydrophobicContact CB-CE2 4.19Å; K50-F63 HydrophobicContact CB-CZ 3.94Å; K50-F63 HydrophobicContact CD-CZ 4.17Å; K50-F63 HydrophobicContact CG-CZ 4.25Å; K50-Y72 HydrophobicContact CD-CD1 4.04Å; K50-Y72 HydrophobicContact CD-CD2 4.07Å; K50-Y72 HydrophobicContact CD-CE1 3.75Å; K50-Y72 HydrophobicContact CD-CE2 3.75Å; K50-Y72 HydrophobicContact CD-CG 4.21Å; K50-L115 HydrophobicContact CB-CD2 3.96Å; K50-L115 HydrophobicContact CG-CD2 3.89Å
51	W	89.1	Confident	83	Confident	63 Å²	63	70.6 Å²	70.6	24%	0.239	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	130.3	167.9	-173.1	-103.7	0	0	0	110.4	Y54 G57 Y58 H114 F537	W51-Y54 HydrophobicContact CZ2-CD1 4.43Å; W51-G57 VanDerWaalsContact CZ3-CA 3.43Å; W51-Y58 HydrophobicContact CB-CD1 4.24Å; W51-Y58 HydrophobicContact CB-CE1 3.91Å; W51-Y58 HydrophobicContact CD2-CE2 4.45Å; W51-Y58 AromaticContact CE3-CD2 3.42Å; W51-Y58 HydrophobicContact CE3-CD2 3.42Å; W51-Y58 VanDerWaalsContact CE3-CD2 3.42Å; W51-Y58 AromaticContact CE3-CE2 3.48Å; W51-Y58 HydrophobicContact CE3-CE2 3.48Å; W51-Y58 VanDerWaalsContact CE3-CE2 3.48Å; W51-Y58 AromaticContact CE3-CG 3.96Å; W51-Y58 HydrophobicContact CE3-CG 3.96Å; W51-Y58 AromaticContact CZ3-CD2 3.83Å; W51-Y58 HydrophobicContact CZ3-CD2 3.83Å; W51-Y58 AromaticContact CZ3-CE2 4Å; W51-Y58 HydrophobicContact CZ3-CE2 4Å; W51-H114 HydrophobicContact CB-CB 3.89Å; W51-H114 PolarHBondContact N-O 3.4Å; W51-F537 HydrophobicContact CH2-CZ 4.3Å; W51-F537 HydrophobicContact CZ2-CE1 4.38Å; W51-F537 AromaticContact CZ2-CZ 3.76Å; W51-F537 HydrophobicContact CZ2-CZ 3.76Å
52	T	81.2	Confident	85.2	Confident	45 Å²	45	68.5 Å²	68.5	28%	0.276	32%	0.318	S	S	.	.			trans	-109.9	-58.2	-177.4	52	0	0	0	0	112.6	K50 K56 G57 Q59	K50-T52 PolarHBondContact O-N 3.46Å; T52-K56 VanDerWaalsContact OG1-CB 3.29Å; T52-K56 WeakPolarHBondContact OG1-CB 3.33Å; T52-G57 PolarHBondContact N-O 3.42Å; T52-G57 PolarHBondContact OG1-O 3.11Å; T52-Q59 HydrophobicContact CG2-CB 3.82Å; T52-Q59 HydrophobicContact CG2-CG 3.83Å; T52-Q59 WeakPolarHBondContact OG1-CG 3.22Å
53	N	73.6	Confident	87.3	Confident	64 Å²	64	66 Å²	66	34%	0.342	30%	0.3	S	S	.	.			trans	-165.3	173.7	173.8	56.7	44.2	0	0	0	109.3	L55 K56 G57	N53-L55 PolarHBondContact O-N 3.24Å; N53-L55 PolarHBondContact OD1-N 3.49Å; N53-L55 VanDerWaalsContact OD1-N 3.13Å; N53-K56 PolarHBondContact O-N 3.08Å; N53-K56 WeakPolarHBondContact OD1-CB 3.43Å; N53-K56 PolarHBondContact OD1-N 2.87Å; N53-G57 VanDerWaalsContact O-CA 3.3Å; N53-G57 WeakPolarHBondContact O-CA 3.43Å; N53-G57 PolarHBondContact O-N 3.24Å
54	Y	62.7	Low	88.2	Confident	154 Å²	154	62.2 Å²	62.2	60%	0.604	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.4	179.8	-70.3	-88.2	0	0	0	114.3	W51 F537	W51-Y54 HydrophobicContact CZ2-CD1 4.43Å; Y54-F537 HydrophobicContact CD1-CE1 4.09Å; Y54-F537 AromaticContact CD1-CZ 3.83Å; Y54-F537 HydrophobicContact CD1-CZ 3.83Å; Y54-F537 AromaticContact CE1-CE1 3.48Å; Y54-F537 HydrophobicContact CE1-CE1 3.48Å; Y54-F537 VanDerWaalsContact CE1-CE1 3.48Å; Y54-F537 HydrophobicContact CE1-CE2 4Å; Y54-F537 AromaticContact CE1-CZ 3.08Å; Y54-F537 HydrophobicContact CE1-CZ 3.08Å; Y54-F537 AromaticContact CZ-CZ 3.54Å
55	L	65.5	Low	88.3	Confident	171 Å²	171	59.8 Å²	59.8	90%	0.895	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-38.5	-178.6	-66.2	170.7	0	0	0	112.8	N53	N53-L55 PolarHBondContact O-N 3.24Å; N53-L55 PolarHBondContact OD1-N 3.49Å; N53-L55 VanDerWaalsContact OD1-N 3.13Å
56	K	73.6	Confident	88.1	Confident	134 Å²	134	56.1 Å²	56.1	58%	0.583	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.4	-17.7	-174.6	-66.6	-176.5	-178.8	179	0	113	T52 N53 Q59	T52-K56 VanDerWaalsContact OG1-CB 3.29Å; T52-K56 WeakPolarHBondContact OG1-CB 3.33Å; N53-K56 PolarHBondContact O-N 3.08Å; N53-K56 WeakPolarHBondContact OD1-CB 3.43Å; N53-K56 PolarHBondContact OD1-N 2.87Å; K56-Q59 HydrophobicContact CB-CG 4.17Å; K56-Q59 PolarHBondContact O-NE2 3.1Å
57	G	81.3	Confident	87.5	Confident	13 Å²	13	63 Å²	63	13%	0.134	29%	0.293	C	S	.	.			trans	55.6	-141.8	-176.5	0	0	0	0	0	113.7	W51 T52 N53	W51-G57 VanDerWaalsContact CZ3-CA 3.43Å; T52-G57 PolarHBondContact N-O 3.42Å; T52-G57 PolarHBondContact OG1-O 3.11Å; N53-G57 VanDerWaalsContact O-CA 3.3Å; N53-G57 WeakPolarHBondContact O-CA 3.43Å; N53-G57 PolarHBondContact O-N 3.24Å
58	Y	92.5	Very high	86.9	Confident	71 Å²	71	60 Å²	60	28%	0.278	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	126.8	174.1	-82.6	-77.3	0	0	0	111.2	W51 R116	W51-Y58 HydrophobicContact CB-CD1 4.24Å; W51-Y58 HydrophobicContact CB-CE1 3.91Å; W51-Y58 HydrophobicContact CD2-CE2 4.45Å; W51-Y58 AromaticContact CE3-CD2 3.42Å; W51-Y58 HydrophobicContact CE3-CD2 3.42Å; W51-Y58 VanDerWaalsContact CE3-CD2 3.42Å; W51-Y58 AromaticContact CE3-CE2 3.48Å; W51-Y58 HydrophobicContact CE3-CE2 3.48Å; W51-Y58 VanDerWaalsContact CE3-CE2 3.48Å; W51-Y58 AromaticContact CE3-CG 3.96Å; W51-Y58 HydrophobicContact CE3-CG 3.96Å; W51-Y58 AromaticContact CZ3-CD2 3.83Å; W51-Y58 HydrophobicContact CZ3-CD2 3.83Å; W51-Y58 AromaticContact CZ3-CE2 4Å; W51-Y58 HydrophobicContact CZ3-CE2 4Å; Y58-R116 HydrophobicContact CD1-CB 4.17Å; Y58-R116 HydrophobicContact CE1-CB 4Å
59	Q	92.1	Very high	86.5	Confident	64 Å²	64	61.8 Å²	61.8	30%	0.299	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	133.7	-177.9	-69.1	-71.8	-46.4	0	0	109.9	Y49 K50 T52 K56 R61	Y49-Q59 WeakPolarHBondContact CA-O 3.46Å; K50-Q59 PolarHBondContact N-O 3.31Å; K50-Q59 PolarHBondContact O-N 2.97Å; T52-Q59 HydrophobicContact CG2-CB 3.82Å; T52-Q59 HydrophobicContact CG2-CG 3.83Å; T52-Q59 WeakPolarHBondContact OG1-CG 3.22Å; K56-Q59 HydrophobicContact CB-CG 4.17Å; K56-Q59 PolarHBondContact O-NE2 3.1Å; Q59-R61 PolarHBondContact O-N 3.4Å
60	K	95.4	Very high	86.4	Confident	94 Å²	94	57.7 Å²	57.7	41%	0.409	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	127	178	-151.6	-178	179.9	170.5	0	109.6	W47 Y49	W47-K60 HydrophobicContact CB-CG 4.41Å; W47-K60 HydrophobicContact CD2-CD 4.16Å; W47-K60 HydrophobicContact CD2-CG 4.19Å; W47-K60 HydrophobicContact CE3-CB 4.39Å; W47-K60 HydrophobicContact CE3-CD 3.96Å; W47-K60 HydrophobicContact CE3-CG 3.59Å; W47-K60 HydrophobicContact CG-CD 4.47Å; W47-K60 VanDerWaalsContact CG-CE 3.5Å; W47-K60 HydrophobicContact CZ3-CD 4.41Å; W47-K60 HydrophobicContact CZ3-CG 4.12Å; Y49-K60 HydrophobicContact CD1-CB 3.94Å; Y49-K60 HydrophobicContact CD1-CG 4.19Å; Y49-K60 HydrophobicContact CE1-CB 3.71Å; Y49-K60 HydrophobicContact CE1-CD 4.25Å; Y49-K60 HydrophobicContact CE1-CG 3.79Å
61	R	95.3	Very high	86.2	Confident	40 Å²	40	57.4 Å²	57.4	15%	0.151	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	145.8	-179.8	-64.7	-64.3	177	-99.3	-2.5	109.8	W47 L48 K50 Q59 F63 Y72 F73	W47-R61 WeakPolarHBondContact CA-O 3.5Å; W47-R61 VanDerWaalsContact CE3-O 3.31Å; L48-R61 PolarHBondContact N-O 2.92Å; L48-R61 PolarHBondContact O-N 3.5Å; L48-R61 VanDerWaalsContact O-O 3.06Å; K50-R61 HydrophobicContact CB-CG 4.06Å; Q59-R61 PolarHBondContact O-N 3.4Å; R61-F63 HydrophobicContact CB-CD2 4.12Å; R61-F63 HydrophobicContact CB-CE2 3.64Å; R61-F63 HydrophobicContact CB-CZ 4.41Å; R61-F63 WeakPolarHBondContact O-CD2 3.47Å; R61-Y72 HydrophobicContact CB-CD2 4.02Å; R61-Y72 HydrophobicContact CG-CD2 3.86Å; R61-Y72 HydrophobicContact CG-CE2 4.3Å; R61-F73 WeakPolarHBondContact CA-O 3.43Å; R61-F73 WeakPolarHBondContact CB-O 3.39Å; R61-F73 WeakPolarHBondContact CD-O 3.47Å
62	W	95.1	Very high	86.4	Confident	29 Å²	29	55.9 Å²	55.9	11%	0.11	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	117.4	175.3	-176.3	-104.3	0	0	0	108.7	K45 G46 W47 Y72 F73 K76	K45-W62 HydrophobicContact CB-CH2 4.4Å; K45-W62 HydrophobicContact CB-CZ2 3.66Å; G46-W62 VanDerWaalsContact C-CE3 3.47Å; G46-W62 VanDerWaalsContact C-CZ3 3.45Å; G46-W62 VanDerWaalsContact CA-CZ3 3.42Å; W47-W62 AromaticContact CD1-CE3 3.67Å; W47-W62 AromaticContact CD1-CZ3 3.52Å; W47-W62 AromaticContact CD2-CE3 3.69Å; W47-W62 HydrophobicContact CD2-CE3 3.69Å; W47-W62 HydrophobicContact CD2-CZ3 4.34Å; W47-W62 AromaticContact CE2-CE3 3.64Å; W47-W62 HydrophobicContact CE3-CB 4.24Å; W47-W62 HydrophobicContact CE3-CE3 4.37Å; W47-W62 AromaticContact CG-CE3 3.74Å; W47-W62 HydrophobicContact CG-CE3 3.74Å; W47-W62 AromaticContact CG-CZ3 3.97Å; W47-W62 HydrophobicContact CG-CZ3 3.97Å; W47-W62 HydrophobicContact CH2-CB 4.44Å; W47-W62 HydrophobicContact CZ2-CE3 4.33Å; W47-W62 HydrophobicContact CZ3-CB 4.15Å; W47-W62 AromaticContact NE1-CE3 3.6Å; W47-W62 AromaticContact NE1-CZ3 3.64Å; W62-Y72 CarbonylContact O-C 3.56Å; W62-Y72 VanDerWaalsContact O-CA 3.29Å; W62-Y72 WeakPolarHBondContact O-CA 3.26Å; W62-F73 HydrophobicContact CB-CB 4.45Å; W62-F73 PolarHBondContact N-O 2.96Å; W62-F73 PolarHBondContact O-N 3.44Å; W62-K76 HydrophobicContact CD2-CD 4.47Å; W62-K76 HydrophobicContact CD2-CG 3.57Å; W62-K76 HydrophobicContact CE3-CD 4.34Å; W62-K76 HydrophobicContact CE3-CG 3.74Å; W62-K76 HydrophobicContact CG-CG 4.05Å; W62-K76 HydrophobicContact CH2-CD 4.12Å; W62-K76 HydrophobicContact CH2-CG 4.24Å; W62-K76 HydrophobicContact CZ2-CD 4.19Å; W62-K76 HydrophobicContact CZ2-CG 4.04Å; W62-K76 HydrophobicContact CZ3-CD 4.19Å; W62-K76 HydrophobicContact CZ3-CG 4.1Å
63	F	96.4	Very high	86.9	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	144	-179.5	-79	-98	0	0	0	110.9	K45 G46 L48 K50 R61 L70 A71 Y72 F113 L115 W126	K45-F63 VanDerWaalsContact CA-O 3.28Å; K45-F63 WeakPolarHBondContact CA-O 3.49Å; G46-F63 PolarHBondContact N-O 2.96Å; G46-F63 PolarHBondContact O-N 3.01Å; L48-F63 HydrophobicContact CB-CD2 3.57Å; L48-F63 HydrophobicContact CB-CE2 3.66Å; L48-F63 HydrophobicContact CB-CG 4.43Å; L48-F63 HydrophobicContact CD1-CB 4.42Å; L48-F63 HydrophobicContact CD1-CD2 4.06Å; L48-F63 HydrophobicContact CD1-CE2 4.44Å; L48-F63 HydrophobicContact CD1-CG 4.1Å; L48-F63 HydrophobicContact CG-CD2 4.19Å; K50-F63 HydrophobicContact CB-CE2 4.19Å; K50-F63 HydrophobicContact CB-CZ 3.94Å; K50-F63 HydrophobicContact CD-CZ 4.17Å; K50-F63 HydrophobicContact CG-CZ 4.25Å; R61-F63 HydrophobicContact CB-CD2 4.12Å; R61-F63 HydrophobicContact CB-CE2 3.64Å; R61-F63 HydrophobicContact CB-CZ 4.41Å; R61-F63 WeakPolarHBondContact O-CD2 3.47Å; F63-L70 HydrophobicContact CB-CD1 4.2Å; F63-L70 HydrophobicContact CD1-CD1 3.85Å; F63-L70 HydrophobicContact CD1-CD2 3.88Å; F63-L70 HydrophobicContact CD1-CG 3.79Å; F63-L70 HydrophobicContact CE1-CD2 4.12Å; F63-L70 HydrophobicContact CE1-CG 4.36Å; F63-A71 CarbonylContact C-O 3.54Å; F63-A71 WeakPolarHBondContact CA-O 3.44Å; F63-Y72 VanDerWaalsContact CE1-CB 3.44Å; F63-Y72 HydrophobicContact CE1-CD1 4.21Å; F63-Y72 HydrophobicContact CE1-CG 4.05Å; F63-Y72 HydrophobicContact CZ-CD1 4.46Å; F63-Y72 HydrophobicContact CZ-CG 4.05Å; F63-F113 HydrophobicContact CE1-CD2 4.45Å; F63-L115 HydrophobicContact CE1-CD1 4.23Å; F63-L115 HydrophobicContact CE1-CD2 3.82Å; F63-L115 HydrophobicContact CE2-CD2 4.02Å; F63-L115 HydrophobicContact CZ-CD1 4.44Å; F63-L115 HydrophobicContact CZ-CD2 3.28Å; F63-W126 HydrophobicContact CB-CH2 3.58Å; F63-W126 HydrophobicContact CB-CZ2 4.13Å; F63-W126 HydrophobicContact CB-CZ3 4.19Å
64	V	93.9	Very high	87.4	Confident	17 Å²	17	57.7 Å²	57.7	10%	0.103	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	112.6	176.4	177.1	0	0	0	0	107.8	K45 A66 A71 F73 V79	K45-V64 HydrophobicContact CB-CG2 4.5Å; K45-V64 HydrophobicContact CD-CG1 4.22Å; K45-V64 HydrophobicContact CD-CG2 4.22Å; K45-V64 HydrophobicContact CG-CB 4.33Å; K45-V64 HydrophobicContact CG-CG1 4.03Å; K45-V64 HydrophobicContact CG-CG2 4.05Å; V64-A66 HydrophobicContact CG1-CB 4.31Å; V64-A71 PolarHBondContact N-O 3.38Å; V64-A71 PolarHBondContact O-N 3.21Å; V64-F73 HydrophobicContact CB-CE2 4.21Å; V64-F73 HydrophobicContact CG2-CD2 4.2Å; V64-F73 HydrophobicContact CG2-CE2 3.9Å; V64-V79 HydrophobicContact CG2-CG1 4.49Å; V64-V79 HydrophobicContact CG2-CG2 4.2Å
65	L	93.7	Very high	88.6	Confident	1 Å²	1	53.9 Å²	53.9	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	115.8	169	176.8	57.9	0	0	0	108.3	E43 L44 L70 L89 W126 A129 L130 A133	E43-L65 WeakPolarHBondContact CA-O 3.47Å; L44-L65 HydrophobicContact CB-CB 4.23Å; L44-L65 HydrophobicContact CB-CD2 4.3Å; L44-L65 PolarHBondContact N-O 2.93Å; L44-L65 WeakPolarHBondContact O-CB 3.41Å; L44-L65 PolarHBondContact O-N 3.35Å; L65-L70 HydrophobicContact CB-CD1 4.04Å; L65-L70 HydrophobicContact CD1-CB 4.46Å; L65-L89 HydrophobicContact CD1-CD1 3.48Å; L65-L89 VanDerWaalsContact CD1-CD1 3.48Å; L65-W126 HydrophobicContact CB-CZ3 4.25Å; L65-A129 HydrophobicContact CD2-CB 3.86Å; L65-L130 HydrophobicContact CD1-CD2 3.89Å; L65-L130 HydrophobicContact CD2-CD2 4.07Å; L65-L130 HydrophobicContact CD2-CG 4.4Å; L65-A133 HydrophobicContact CD1-CB 3.79Å; L65-A133 HydrophobicContact CD2-CB 3.98Å; L65-A133 HydrophobicContact CG-CB 4.16Å
66	A	88	Confident	89.7	Confident	20 Å²	20	51.6 Å²	51.6	17%	0.165	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.1	147	176.9	0	0	0	0	0	110.5	E43 V64 G68 S69	E43-A66 HydrophobicContact CG-CB 4.27Å; V64-A66 HydrophobicContact CG1-CB 4.31Å; A66-G68 VanDerWaalsContact C-N 3.29Å; A66-G68 PolarHBondContact O-N 3.48Å; A66-S69 PolarHBondContact N-O 3.48Å; A66-S69 PolarHBondContact O-N 3.32Å
67	N	81.8	Confident	90.1	Very high	155 Å²	155	48 Å²	48	83%	0.829	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	42.7	171.6	-57.8	-31.9	0	0	0	114.5	S69	N67-S69 PolarHBondContact O-N 2.93Å
68	G	85.2	Confident	90	Very high	13 Å²	13	48.8 Å²	48.8	13%	0.134	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	70.5	12.8	179	0	0	0	0	0	114.8	A66 L89	A66-G68 VanDerWaalsContact C-N 3.29Å; A66-G68 PolarHBondContact O-N 3.48Å; G68-L89 VanDerWaalsContact O-CB 3.29Å; G68-L89 WeakPolarHBondContact O-CB 3.36Å; G68-L89 PolarHBondContact O-N 3.45Å
69	S	88.9	Confident	89.3	Confident	39 Å²	39	48.1 Å²	48.1	27%	0.273	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	145.6	177.7	-62	0	0	0	0	111.3	A66 N67 I87	A66-S69 PolarHBondContact N-O 3.48Å; A66-S69 PolarHBondContact O-N 3.32Å; N67-S69 PolarHBondContact O-N 2.93Å; S69-I87 WeakPolarHBondContact CA-O 3.5Å
70	L	93.5	Very high	88.4	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	111.6	172.3	179.7	70.3	0	0	0	109.2	F63 L65 S86 I87 L89 I104 L115 W126 L130	F63-L70 HydrophobicContact CB-CD1 4.2Å; F63-L70 HydrophobicContact CD1-CD1 3.85Å; F63-L70 HydrophobicContact CD1-CD2 3.88Å; F63-L70 HydrophobicContact CD1-CG 3.79Å; F63-L70 HydrophobicContact CE1-CD2 4.12Å; F63-L70 HydrophobicContact CE1-CG 4.36Å; L65-L70 HydrophobicContact CB-CD1 4.04Å; L65-L70 HydrophobicContact CD1-CB 4.46Å; L70-S86 CarbonylContact O-C 3.54Å; L70-S86 VanDerWaalsContact O-CA 3.25Å; L70-S86 WeakPolarHBondContact O-CA 3.49Å; L70-I87 HydrophobicContact CB-CG2 3.91Å; L70-I87 HydrophobicContact CD2-CG2 4.47Å; L70-I87 PolarHBondContact N-O 3.48Å; L70-I87 PolarHBondContact O-N 3.06Å; L70-L89 HydrophobicContact CB-CD2 4.46Å; L70-I104 HydrophobicContact CD2-CD1 3.39Å; L70-L115 HydrophobicContact CD2-CD1 4.08Å; L70-W126 HydrophobicContact CD1-CZ3 3.83Å; L70-L130 HydrophobicContact CB-CD2 4.11Å; L70-L130 HydrophobicContact CD1-CD2 4.09Å; L70-L130 HydrophobicContact CD2-CD2 3.88Å; L70-L130 HydrophobicContact CG-CD2 4.24Å
71	A	91.3	Very high	87.4	Confident	19 Å²	19	51.6 Å²	51.6	16%	0.157	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	152.2	177.9	0	0	0	0	0	111.4	F63 V64 F73 G85	F63-A71 CarbonylContact C-O 3.54Å; F63-A71 WeakPolarHBondContact CA-O 3.44Å; V64-A71 PolarHBondContact N-O 3.38Å; V64-A71 PolarHBondContact O-N 3.21Å; A71-F73 HydrophobicContact CB-CE2 4.13Å; A71-F73 HydrophobicContact CB-CZ 4.4Å; A71-G85 WeakPolarHBondContact CA-O 3.36Å
72	Y	92.6	Very high	86.5	Confident	30 Å²	30	53.3 Å²	53.3	12%	0.118	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	152.9	176.5	78.8	-87.9	0	0	0	114.2	K50 R61 W62 F63 R84 G85 F113	K50-Y72 HydrophobicContact CD-CD1 4.04Å; K50-Y72 HydrophobicContact CD-CD2 4.07Å; K50-Y72 HydrophobicContact CD-CE1 3.75Å; K50-Y72 HydrophobicContact CD-CE2 3.75Å; K50-Y72 HydrophobicContact CD-CG 4.21Å; R61-Y72 HydrophobicContact CB-CD2 4.02Å; R61-Y72 HydrophobicContact CG-CD2 3.86Å; R61-Y72 HydrophobicContact CG-CE2 4.3Å; W62-Y72 CarbonylContact O-C 3.56Å; W62-Y72 VanDerWaalsContact O-CA 3.29Å; W62-Y72 WeakPolarHBondContact O-CA 3.26Å; F63-Y72 VanDerWaalsContact CE1-CB 3.44Å; F63-Y72 HydrophobicContact CE1-CD1 4.21Å; F63-Y72 HydrophobicContact CE1-CG 4.05Å; F63-Y72 HydrophobicContact CZ-CD1 4.46Å; F63-Y72 HydrophobicContact CZ-CG 4.05Å; Y72-R84 HydrophobicContact CD2-CB 3.82Å; Y72-R84 HydrophobicContact CE2-CB 3.37Å; Y72-R84 HydrophobicContact CE2-CG 4.36Å; Y72-R84 WeakPolarHBondContact O-CB 3.31Å; Y72-R84 PolarHBondContact O-N 3.44Å; Y72-R84 PolarHBondContact OH-O 3.02Å; Y72-G85 WeakPolarHBondContact CD1-O 3.41Å; Y72-G85 PolarHBondContact N-O 3.32Å; Y72-F113 AromaticContact CD1-CE2 3.93Å; Y72-F113 HydrophobicContact CD1-CE2 3.93Å; Y72-F113 HydrophobicContact CD1-CZ 4.02Å; Y72-F113 HydrophobicContact CE1-CE1 4.22Å; Y72-F113 HydrophobicContact CE1-CE2 4.14Å; Y72-F113 AromaticContact CE1-CZ 3.76Å; Y72-F113 HydrophobicContact CE1-CZ 3.76Å
73	F	91.8	Very high	85.9	Confident	15 Å²	15	55 Å²	55	7%	0.066	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	161.3	-173.2	-55.2	-92	0	0	0	109.9	R61 W62 V64 A71 N75 E78 V79 T82 C83	R61-F73 WeakPolarHBondContact CA-O 3.43Å; R61-F73 WeakPolarHBondContact CB-O 3.39Å; R61-F73 WeakPolarHBondContact CD-O 3.47Å; W62-F73 HydrophobicContact CB-CB 4.45Å; W62-F73 PolarHBondContact N-O 2.96Å; W62-F73 PolarHBondContact O-N 3.44Å; V64-F73 HydrophobicContact CB-CE2 4.21Å; V64-F73 HydrophobicContact CG2-CD2 4.2Å; V64-F73 HydrophobicContact CG2-CE2 3.9Å; A71-F73 HydrophobicContact CB-CE2 4.13Å; A71-F73 HydrophobicContact CB-CZ 4.4Å; F73-N75 VanDerWaalsContact C-N 3.33Å; F73-N75 WeakPolarHBondContact CB-O 3.4Å; F73-E78 HydrophobicContact CB-CB 4.13Å; F73-E78 HydrophobicContact CD1-CB 4.11Å; F73-E78 WeakPolarHBondContact CD1-O 3.19Å; F73-V79 HydrophobicContact CD2-CG2 3.85Å; F73-V79 HydrophobicContact CE2-CG2 4.11Å; F73-V79 HydrophobicContact CG-CG2 4.09Å; F73-T82 WeakPolarHBondContact CD1-O 3.32Å; F73-C83 HydrophobicContact CE1-CB 3.98Å; F73-C83 HydrophobicContact CZ-CB 4.36Å
74	R	85.5	Confident	85.2	Confident	132 Å²	132	59.4 Å²	59.4	50%	0.498	34%	0.339	S	S	.	.	S	Bend	trans	-67.5	-37.7	175	-69.5	-176.3	177.1	169	2.2	111.6	W47 E78 R84	W47-R74 WeakPolarHBondContact CZ3-O 3.47Å; R74-E78 VanDerWaalsContact CB-OE2 3.29Å; R74-E78 WeakPolarHBondContact CB-OE2 3.33Å; R74-E78 PolarHBondContact N-OE2 2.77Å; R74-R84 HydrophobicContact CG-CG 4.38Å; R74-R84 VanDerWaalsContact NH2-NH1 3.15Å
75	N	87.7	Confident	84.8	Confident	74 Å²	74	59.6 Å²	59.6	40%	0.396	34%	0.344	S	S	.	.	S	Bend	trans	-150.5	176.8	-179.3	63	47.4	0	0	0	111.1	W47 F73 G77 E78	W47-N75 HydrophobicContact CH2-CB 4.15Å; F73-N75 VanDerWaalsContact C-N 3.33Å; F73-N75 WeakPolarHBondContact CB-O 3.4Å; N75-G77 VanDerWaalsContact C-N 3.3Å; N75-G77 PolarHBondContact O-N 3.45Å; N75-G77 WeakPolarHBondContact OD1-CA 3.35Å; N75-G77 PolarHBondContact OD1-N 2.99Å; N75-E78 PolarHBondContact OD1-N 3.48Å; N75-E78 VanDerWaalsContact OD1-N 3.11Å
76	K	87.8	Confident	84.5	Confident	123 Å²	123	62.4 Å²	62.4	54%	0.535	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-63.5	-31.8	180	-63.7	-173.2	-179.4	-169.6	0	113.7	W47 W62 E78 V79	W47-K76 HydrophobicContact CZ2-CG 4.46Å; W62-K76 HydrophobicContact CD2-CD 4.47Å; W62-K76 HydrophobicContact CD2-CG 3.57Å; W62-K76 HydrophobicContact CE3-CD 4.34Å; W62-K76 HydrophobicContact CE3-CG 3.74Å; W62-K76 HydrophobicContact CG-CG 4.05Å; W62-K76 HydrophobicContact CH2-CD 4.12Å; W62-K76 HydrophobicContact CH2-CG 4.24Å; W62-K76 HydrophobicContact CZ2-CD 4.19Å; W62-K76 HydrophobicContact CZ2-CG 4.04Å; W62-K76 HydrophobicContact CZ3-CD 4.19Å; W62-K76 HydrophobicContact CZ3-CG 4.1Å; K76-E78 VanDerWaalsContact C-N 3.35Å; K76-V79 VanDerWaalsContact O-CG2 3.32Å; K76-V79 WeakPolarHBondContact O-CG2 3.5Å; K76-V79 PolarHBondContact O-N 3.43Å
77	G	81.4	Confident	84.5	Confident	58 Å²	58	61.4 Å²	61.4	60%	0.598	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-75.9	-18.6	-175.8	0	0	0	0	0	114.2	N75 V79 H81	N75-G77 VanDerWaalsContact C-N 3.3Å; N75-G77 PolarHBondContact O-N 3.45Å; N75-G77 WeakPolarHBondContact OD1-CA 3.35Å; N75-G77 PolarHBondContact OD1-N 2.99Å; G77-V79 VanDerWaalsContact C-N 3.28Å; G77-V79 PolarHBondContact O-N 2.73Å; G77-H81 PolarHBondContact O-CD2 2.93Å
78	E	80.2	Confident	84.7	Confident	30 Å²	30	57.1 Å²	57.1	14%	0.14	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-79.1	-7.7	175.9	-75.3	-173.2	163.3	0	0	113.3	F73 R74 N75 K76 G80 H81 T82 R84	F73-E78 HydrophobicContact CB-CB 4.13Å; F73-E78 HydrophobicContact CD1-CB 4.11Å; F73-E78 WeakPolarHBondContact CD1-O 3.19Å; R74-E78 VanDerWaalsContact CB-OE2 3.29Å; R74-E78 WeakPolarHBondContact CB-OE2 3.33Å; R74-E78 PolarHBondContact N-OE2 2.77Å; N75-E78 PolarHBondContact OD1-N 3.48Å; N75-E78 VanDerWaalsContact OD1-N 3.11Å; K76-E78 VanDerWaalsContact C-N 3.35Å; E78-G80 PolarHBondContact O-N 2.96Å; E78-G80 VanDerWaalsContact O-N 3.15Å; E78-H81 PolarHBondContact O-N 3.28Å; E78-T82 PolarHBondContact O-N 3.44Å; E78-R84 IonicContact OE1-CZ 2.95Å; E78-R84 IonicContact OE1-NE 3.25Å; E78-R84 IonicContact OE1-NH2 3.38Å; E78-R84 PolarHBondContact OE1-NH2 3.26Å; E78-R84 IonicContact OE2-NE 3.12Å; E78-R84 IonicContact OE2-NH2 3.54Å
79	V	78.3	Confident	84.9	Confident	57 Å²	57	56.5 Å²	56.5	35%	0.345	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	114.3	-178.7	-179.9	0	0	0	0	109.5	V64 F73 K76 G77	V64-V79 HydrophobicContact CG2-CG1 4.49Å; V64-V79 HydrophobicContact CG2-CG2 4.2Å; F73-V79 HydrophobicContact CD2-CG2 3.85Å; F73-V79 HydrophobicContact CE2-CG2 4.11Å; F73-V79 HydrophobicContact CG-CG2 4.09Å; K76-V79 VanDerWaalsContact O-CG2 3.32Å; K76-V79 WeakPolarHBondContact O-CG2 3.5Å; K76-V79 PolarHBondContact O-N 3.43Å; G77-V79 VanDerWaalsContact C-N 3.28Å; G77-V79 PolarHBondContact O-N 2.73Å
80	G	73.5	Confident	84.5	Confident	75 Å²	75	57.9 Å²	57.9	77%	0.773	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.3	-12.1	-175.1	0	0	0	0	0	114.6	E78	E78-G80 PolarHBondContact O-N 2.96Å; E78-G80 VanDerWaalsContact O-N 3.15Å
81	H	72.8	Confident	83.6	Confident	157 Å²	157	59.3 Å²	59.3	73%	0.727	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	-64.2	177.5	-64.1	-74.2	0	0	0	112	G77 E78	G77-H81 PolarHBondContact O-CD2 2.93Å; E78-H81 PolarHBondContact O-N 3.28Å
82	T	77.6	Confident	83.2	Confident	75 Å²	75	58.5 Å²	58.5	46%	0.46	34%	0.337	S	S	.	.			trans	-137.9	91	-167.5	-26.1	0	0	0	0	111.8	F73 E78	F73-T82 WeakPolarHBondContact CD1-O 3.32Å; E78-T82 PolarHBondContact O-N 3.44Å
83	C	81.4	Confident	82.7	Confident	66 Å²	66	61.5 Å²	61.5	45%	0.446	35%	0.351	S	S	.	.			trans	-65.3	132.2	172.5	-174.2	0	0	0	0	110.5	F73 G85	F73-C83 HydrophobicContact CE1-CB 3.98Å; F73-C83 HydrophobicContact CZ-CB 4.36Å; C83-G85 PolarHBondContact SG-O 2.96Å
84	R	82.9	Confident	82.5	Confident	91 Å²	91	61.5 Å²	61.5	34%	0.343	35%	0.351	S	S	.	.			trans	-90.8	-18.2	179.3	-62.1	-62.9	-177.1	162.6	-9.3	113.2	Y72 R74 E78	Y72-R84 HydrophobicContact CD2-CB 3.82Å; Y72-R84 HydrophobicContact CE2-CB 3.37Å; Y72-R84 HydrophobicContact CE2-CG 4.36Å; Y72-R84 WeakPolarHBondContact O-CB 3.31Å; Y72-R84 PolarHBondContact O-N 3.44Å; Y72-R84 PolarHBondContact OH-O 3.02Å; R74-R84 HydrophobicContact CG-CG 4.38Å; R74-R84 VanDerWaalsContact NH2-NH1 3.15Å; E78-R84 IonicContact OE1-CZ 2.95Å; E78-R84 IonicContact OE1-NE 3.25Å; E78-R84 IonicContact OE1-NH2 3.38Å; E78-R84 PolarHBondContact OE1-NH2 3.26Å; E78-R84 IonicContact OE2-NE 3.12Å; E78-R84 IonicContact OE2-NH2 3.54Å
85	G	84.6	Confident	82.5	Confident	21 Å²	21	58.8 Å²	58.8	22%	0.216	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.1	154.2	176.6	0	0	0	0	0	110.2	A71 Y72 C83	A71-G85 WeakPolarHBondContact CA-O 3.36Å; Y72-G85 WeakPolarHBondContact CD1-O 3.41Å; Y72-G85 PolarHBondContact N-O 3.32Å; C83-G85 PolarHBondContact SG-O 2.96Å
86	S	88.3	Confident	82.4	Confident	60 Å²	60	57.9 Å²	57.9	42%	0.42	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	141.5	180	56.5	0	0	0	0	110.1	L70 Q111	L70-S86 CarbonylContact O-C 3.54Å; L70-S86 VanDerWaalsContact O-CA 3.25Å; L70-S86 WeakPolarHBondContact O-CA 3.49Å; S86-Q111 PolarHBondContact O-OE1 3.41Å
87	I	88.5	Confident	82	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.5	173.2	-168.9	160.2	0	0	0	109.4	S69 L70 L89 I104 N106 Q111 F113	S69-I87 WeakPolarHBondContact CA-O 3.5Å; L70-I87 HydrophobicContact CB-CG2 3.91Å; L70-I87 HydrophobicContact CD2-CG2 4.47Å; L70-I87 PolarHBondContact N-O 3.48Å; L70-I87 PolarHBondContact O-N 3.06Å; I87-L89 HydrophobicContact CG2-CD2 4.45Å; I87-I104 HydrophobicContact CD1-CB 4.36Å; I87-I104 HydrophobicContact CD1-CG2 3.82Å; I87-I104 HydrophobicContact CG1-CG2 4.45Å; I87-I104 HydrophobicContact CG2-CG2 4.17Å; I87-N106 HydrophobicContact CD1-CB 3.91Å; I87-N106 HydrophobicContact CG1-CB 3.89Å; I87-Q111 HydrophobicContact CD1-CB 4.27Å; I87-Q111 WeakPolarHBondContact CD1-O 3.47Å; I87-F113 HydrophobicContact CB-CD2 4.21Å; I87-F113 HydrophobicContact CB-CE2 3.82Å; I87-F113 HydrophobicContact CB-CZ 4.12Å; I87-F113 HydrophobicContact CG2-CD2 3.76Å; I87-F113 HydrophobicContact CG2-CE2 3.66Å; I87-F113 HydrophobicContact CG2-CZ 4.45Å
88	N	85.8	Confident	82.1	Confident	64 Å²	64	57.6 Å²	57.6	34%	0.342	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	132	172.4	-176.8	-21.3	0	0	0	108.8	Q90 N106	N88-Q90 WeakPolarHBondContact OD1-CB 3.31Å; N88-Q90 PolarHBondContact OD1-N 3.23Å; N88-N106 PolarHBondContact O-ND2 2.91Å
89	L	88.1	Confident	82.4	Confident	0 Å²	0	59.2 Å²	59.2	0%	0	34%	0.343	C	S	.	.	S	Bend	trans	-85.6	-16.8	-176.4	-60.1	178.2	0	0	0	114.4	L65 G68 L70 I87 G91 A92 I104 L130 A133 R134	L65-L89 HydrophobicContact CD1-CD1 3.48Å; L65-L89 VanDerWaalsContact CD1-CD1 3.48Å; G68-L89 VanDerWaalsContact O-CB 3.29Å; G68-L89 WeakPolarHBondContact O-CB 3.36Å; G68-L89 PolarHBondContact O-N 3.45Å; L70-L89 HydrophobicContact CB-CD2 4.46Å; I87-L89 HydrophobicContact CG2-CD2 4.45Å; L89-G91 VanDerWaalsContact C-N 3.29Å; L89-G91 PolarHBondContact O-N 3.43Å; L89-A92 HydrophobicContact CD2-CB 4.12Å; L89-A92 PolarHBondContact O-N 3.07Å; L89-I104 HydrophobicContact CD2-CG2 4.24Å; L89-L130 HydrophobicContact CD1-CD2 3.92Å; L89-L130 HydrophobicContact CD2-CD2 4.17Å; L89-A133 HydrophobicContact CD1-CB 3.83Å; L89-R134 HydrophobicContact CB-CB 4.05Å; L89-R134 VanDerWaalsContact O-CG 3.29Å; L89-R134 WeakPolarHBondContact O-CG 3.15Å
90	Q	80.1	Confident	83	Confident	69 Å²	69	57.9 Å²	57.9	32%	0.322	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-42.9	-176.8	-175.7	-177.2	-13.6	0	0	112.6	N88 A137 I138 A141	N88-Q90 WeakPolarHBondContact OD1-CB 3.31Å; N88-Q90 PolarHBondContact OD1-N 3.23Å; Q90-A137 HydrophobicContact CB-CB 4.28Å; Q90-I138 HydrophobicContact CG-CG1 4.2Å; Q90-I138 WeakPolarHBondContact O-CG1 3.4Å; Q90-A141 VanDerWaalsContact NE2-CB 3.28Å
91	G	75.5	Confident	83.8	Confident	30 Å²	30	55.4 Å²	55.4	31%	0.309	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	14.1	175.2	0	0	0	0	0	113.8	L89	L89-G91 VanDerWaalsContact C-N 3.29Å; L89-G91 PolarHBondContact O-N 3.43Å
92	A	83.5	Confident	84.8	Confident	2 Å²	2	47.9 Å²	47.9	2%	0.017	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	150.8	-178.9	0	0	0	0	0	111.9	L89 I104 S105 R134	L89-A92 HydrophobicContact CD2-CB 4.12Å; L89-A92 PolarHBondContact O-N 3.07Å; A92-I104 HydrophobicContact CB-CG2 3.92Å; A92-S105 CarbonylContact C-O 3.52Å; A92-S105 WeakPolarHBondContact CA-O 3.4Å; A92-R134 WeakPolarHBondContact O-CD 3.45Å; A92-R134 VanDerWaalsContact O-CZ 3.32Å; A92-R134 PolarHBondContact O-NE 3.49Å; A92-R134 PolarHBondContact O-NH2 3.05Å
93	F	80.6	Confident	85.5	Confident	93 Å²	93	44.9 Å²	44.9	41%	0.408	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.8	168.1	-176.5	-103.7	0	0	0	108.3	H95 I104 S105	F93-H95 HydrophobicContact CD1-CB 4.24Å; F93-H95 HydrophobicContact CE1-CB 3.83Å; F93-I104 CarbonylContact O-C 3.32Å; F93-I104 WeakPolarHBondContact O-CA 3.28Å; F93-S105 PolarHBondContact N-O 2.98Å; F93-S105 PolarHBondContact O-N 3.46Å
94	I	88.7	Confident	86	Confident	15 Å²	15	41.8 Å²	41.8	8%	0.077	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	120.2	-178.1	-56.7	160.8	0	0	0	107.3	V103 I104 V127 L130 E131	I94-V103 CarbonylContact C-O 3.58Å; I94-V103 WeakPolarHBondContact CA-O 3.47Å; I94-I104 HydrophobicContact CG1-CG1 4.42Å; I94-I104 HydrophobicContact CG1-CG2 4.29Å; I94-V127 HydrophobicContact CG2-CG1 4.33Å; I94-V127 HydrophobicContact CG2-CG2 4.44Å; I94-L130 HydrophobicContact CD1-CB 3.61Å; I94-E131 HydrophobicContact CD1-CG 4.03Å
95	H	84.9	Confident	86	Confident	74 Å²	74	39.1 Å²	39.1	34%	0.343	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	125.6	-178.3	-175.9	53.4	0	0	0	110.5	F93 F102 V103	F93-H95 HydrophobicContact CD1-CB 4.24Å; F93-H95 HydrophobicContact CE1-CB 3.83Å; H95-F102 CarbonylContact O-C 3.42Å; H95-F102 VanDerWaalsContact O-CA 3.22Å; H95-F102 WeakPolarHBondContact O-CA 3.31Å; H95-F102 WeakPolarHBondContact O-CB 3.25Å; H95-V103 PolarHBondContact N-O 2.85Å; H95-V103 PolarHBondContact O-N 3.34Å
96	T	86.1	Confident	85.7	Confident	55 Å²	55	38.4 Å²	38.4	34%	0.337	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	121.4	171.8	-57.7	0	0	0	0	108.9	D98	T96-D98 WeakPolarHBondContact CG2-O 3.5Å
97	E	79.6	Confident	84.2	Confident	97 Å²	97	38.5 Å²	38.5	45%	0.453	23%	0.228	S	C	.	.			trans	-86.3	-43.3	179.5	-70	-179.5	155.5	0	0	111.4	N101 V103 H114	E97-N101 HydrophobicContact CB-CB 4.25Å; E97-N101 PolarHBondContact N-O 3.39Å; E97-V103 HydrophobicContact CG-CG2 3.86Å; E97-V103 WeakPolarHBondContact OE1-CG2 3.32Å; E97-H114 IonicContact OE1-ND1 3.81Å
98	D	84	Confident	82.8	Confident	78 Å²	78	44.3 Å²	44.3	42%	0.417	26%	0.263	S	S	.	.	S	Bend	trans	-151.7	-166.8	177.8	68.7	35.4	0	0	0	112.3	T96 C100 N101	T96-D98 WeakPolarHBondContact CG2-O 3.5Å; D98-C100 PolarHBondContact O-N 2.84Å; D98-C100 VanDerWaalsContact O-N 3.15Å; D98-C100 PolarHBondContact OD1-N 2.98Å; D98-N101 PolarHBondContact N-O 2.9Å; D98-N101 WeakPolarHBondContact OD1-CB 3.32Å; D98-N101 PolarHBondContact OD1-N 2.84Å; D98-N101 PolarHBondContact OD1-ND2 3.46Å; D98-N101 PolarHBondContact OD2-ND2 3.37Å
99	S	86.2	Confident	81.7	Confident	65 Å²	65	44.4 Å²	44.4	46%	0.455	27%	0.266	S	S	.	.	S	Bend	trans	-53.2	-34.7	-178.9	-60.6	0	0	0	0	113.5	E120 R123	S99-E120 VanDerWaalsContact O-CA 3.31Å; S99-E120 WeakPolarHBondContact O-CA 3.48Å; S99-E120 WeakPolarHBondContact O-CG 3.47Å; S99-R123 PolarHBondContact O-NE 3.33Å; S99-R123 PolarHBondContact O-NH2 2.92Å
100	C	91.1	Very high	80.7	Confident	28 Å²	28	50.5 Å²	50.5	19%	0.189	30%	0.304	C	S	.	.	S	Bend	trans	-123.5	-16.7	-174.4	-65.4	0	0	0	0	114.4	D98 R116 A117 S119	D98-C100 PolarHBondContact O-N 2.84Å; D98-C100 VanDerWaalsContact O-N 3.15Å; D98-C100 PolarHBondContact OD1-N 2.98Å; C100-R116 HydrophobicContact CB-CG 4.4Å; C100-R116 WeakPolarHBondContact O-CA 3.15Å; C100-A117 PolarHBondContact O-N 3.02Å; C100-S119 VanDerWaalsContact SG-C 3.59Å
101	N	90.8	Very high	80.5	Confident	23 Å²	23	50.6 Å²	50.6	12%	0.123	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	139.7	-177.2	-63.9	-65	0	0	0	111.9	E97 D98 L115 R116	E97-N101 HydrophobicContact CB-CB 4.25Å; E97-N101 PolarHBondContact N-O 3.39Å; D98-N101 PolarHBondContact N-O 2.9Å; D98-N101 WeakPolarHBondContact OD1-CB 3.32Å; D98-N101 PolarHBondContact OD1-N 2.84Å; D98-N101 PolarHBondContact OD1-ND2 3.46Å; D98-N101 PolarHBondContact OD2-ND2 3.37Å; N101-L115 CarbonylContact C-O 3.53Å; N101-L115 WeakPolarHBondContact CA-O 3.41Å; N101-R116 WeakPolarHBondContact OD1-CB 3.38Å; N101-R116 WeakPolarHBondContact OD1-CD 3.39Å; N101-R116 WeakPolarHBondContact OD1-CG 3.45Å
102	F	93.7	Very high	81	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	153.2	177.5	64.4	-76.2	0	0	0	110.8	L48 H95 I104 L115 R123 W126 V127 L130	L48-F102 HydrophobicContact CD1-CZ 3.82Å; L48-F102 HydrophobicContact CD2-CE1 4.22Å; L48-F102 HydrophobicContact CD2-CZ 4.26Å; H95-F102 CarbonylContact O-C 3.42Å; H95-F102 VanDerWaalsContact O-CA 3.22Å; H95-F102 WeakPolarHBondContact O-CA 3.31Å; H95-F102 WeakPolarHBondContact O-CB 3.25Å; F102-I104 HydrophobicContact CD2-CG1 4.37Å; F102-I104 HydrophobicContact CE2-CD1 4.3Å; F102-I104 HydrophobicContact CE2-CG1 4.46Å; F102-L115 HydrophobicContact CD1-CB 4.21Å; F102-L115 HydrophobicContact CD2-CB 4.29Å; F102-L115 HydrophobicContact CD2-CD1 4.41Å; F102-L115 HydrophobicContact CE1-CB 3.85Å; F102-L115 HydrophobicContact CE2-CB 3.94Å; F102-L115 HydrophobicContact CE2-CD1 3.64Å; F102-L115 HydrophobicContact CE2-CG 4.37Å; F102-L115 HydrophobicContact CG-CB 4.43Å; F102-L115 HydrophobicContact CZ-CB 3.71Å; F102-L115 HydrophobicContact CZ-CD1 3.89Å; F102-L115 HydrophobicContact CZ-CG 4.45Å; F102-L115 PolarHBondContact N-O 3.5Å; F102-L115 WeakPolarHBondContact O-CA 3.5Å; F102-L115 PolarHBondContact O-N 2.84Å; F102-L115 VanDerWaalsContact O-O 3.04Å; F102-R123 HydrophobicContact CD1-CG 3.61Å; F102-R123 HydrophobicContact CE1-CG 4.13Å; F102-R123 HydrophobicContact CG-CG 4.38Å; F102-W126 HydrophobicContact CZ-CB 3.95Å; F102-W126 HydrophobicContact CZ-CG 4.46Å; F102-V127 HydrophobicContact CB-CG2 4.29Å; F102-V127 HydrophobicContact CD2-CG2 4.06Å; F102-V127 HydrophobicContact CG-CG2 4.09Å; F102-L130 HydrophobicContact CE2-CD1 3.77Å
103	V	90.3	Very high	81.3	Confident	12 Å²	12	52.8 Å²	52.8	7%	0.073	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	137.9	-175	-178	0	0	0	0	109.8	I94 H95 E97 T112 F113 H114	I94-V103 CarbonylContact C-O 3.58Å; I94-V103 WeakPolarHBondContact CA-O 3.47Å; H95-V103 PolarHBondContact N-O 2.85Å; H95-V103 PolarHBondContact O-N 3.34Å; E97-V103 HydrophobicContact CG-CG2 3.86Å; E97-V103 WeakPolarHBondContact OE1-CG2 3.32Å; V103-T112 HydrophobicContact CG1-CG2 3.38Å; V103-F113 CarbonylContact C-O 2.99Å; V103-F113 VanDerWaalsContact CA-O 3.31Å; V103-F113 WeakPolarHBondContact CA-O 3.38Å; V103-H114 HydrophobicContact CG2-CB 4.42Å; V103-H114 VanDerWaalsContact CG2-ND1 3.31Å; V103-H114 WeakPolarHBondContact CG2-ND1 3.38Å
104	I	92	Very high	81.9	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	116.9	172.3	-49.3	173.1	0	0	0	107.3	L70 I87 L89 A92 F93 I94 F102 T112 F113 L115 L130	L70-I104 HydrophobicContact CD2-CD1 3.39Å; I87-I104 HydrophobicContact CD1-CB 4.36Å; I87-I104 HydrophobicContact CD1-CG2 3.82Å; I87-I104 HydrophobicContact CG1-CG2 4.45Å; I87-I104 HydrophobicContact CG2-CG2 4.17Å; L89-I104 HydrophobicContact CD2-CG2 4.24Å; A92-I104 HydrophobicContact CB-CG2 3.92Å; F93-I104 CarbonylContact O-C 3.32Å; F93-I104 WeakPolarHBondContact O-CA 3.28Å; I94-I104 HydrophobicContact CG1-CG1 4.42Å; I94-I104 HydrophobicContact CG1-CG2 4.29Å; F102-I104 HydrophobicContact CD2-CG1 4.37Å; F102-I104 HydrophobicContact CE2-CD1 4.3Å; F102-I104 HydrophobicContact CE2-CG1 4.46Å; I104-T112 CarbonylContact O-C 3.11Å; I104-T112 WeakPolarHBondContact O-CA 3.33Å; I104-F113 PolarHBondContact N-O 3.07Å; I104-F113 PolarHBondContact O-N 3.34Å; I104-L115 HydrophobicContact CD1-CD1 3.71Å; I104-L115 HydrophobicContact CG1-CD1 4.29Å; I104-L130 HydrophobicContact CD1-CD1 3.65Å; I104-L130 HydrophobicContact CD1-CD2 4.24Å; I104-L130 HydrophobicContact CG1-CD1 4.5Å
105	S	83.6	Confident	82.3	Confident	36 Å²	36	50.9 Å²	50.9	25%	0.252	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.8	176.6	54.8	0	0	0	0	110.4	A92 F93 Q111	A92-S105 CarbonylContact C-O 3.52Å; A92-S105 WeakPolarHBondContact CA-O 3.4Å; F93-S105 PolarHBondContact N-O 2.98Å; F93-S105 PolarHBondContact O-N 3.46Å; S105-Q111 CarbonylContact C-O 3.47Å; S105-Q111 WeakPolarHBondContact CA-O 3.48Å
106	N	78.1	Confident	82.7	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.032	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	110.3	172.7	-176.9	-31.7	0	0	0	108.7	I87 N88 T108 T109 T110 Q111	I87-N106 HydrophobicContact CD1-CB 3.91Å; I87-N106 HydrophobicContact CG1-CB 3.89Å; N88-N106 PolarHBondContact O-ND2 2.91Å; N106-T108 PolarHBondContact O-N 3.04Å; N106-T108 WeakPolarHBondContact OD1-CA 3.48Å; N106-T108 VanDerWaalsContact OD1-CB 3.27Å; N106-T108 WeakPolarHBondContact OD1-CB 3.37Å; N106-T108 PolarHBondContact OD1-N 3.16Å; N106-T108 PolarHBondContact OD1-OG1 3.04Å; N106-T109 PolarHBondContact O-N 2.85Å; N106-T109 PolarHBondContact OD1-N 3.48Å; N106-T110 WeakPolarHBondContact O-CA 3.43Å; N106-T110 PolarHBondContact O-N 3.48Å; N106-Q111 PolarHBondContact N-O 3.44Å
107	G	57.4	Low	83.2	Confident	61 Å²	61	50.7 Å²	50.7	63%	0.629	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-21.4	-177.1	0	0	0	0	0	113.9
108	T	59.5	Low	83.8	Confident	123 Å²	123	50.3 Å²	50.3	76%	0.755	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-39.7	178.7	-47	0	0	0	0	111.5	N106	N106-T108 PolarHBondContact O-N 3.04Å; N106-T108 WeakPolarHBondContact OD1-CA 3.48Å; N106-T108 VanDerWaalsContact OD1-CB 3.27Å; N106-T108 WeakPolarHBondContact OD1-CB 3.37Å; N106-T108 PolarHBondContact OD1-N 3.16Å; N106-T108 PolarHBondContact OD1-OG1 3.04Å
109	T	62.3	Low	84.2	Confident	65 Å²	65	48.8 Å²	48.8	40%	0.399	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.2	-1.5	-176.8	59.8	0	0	0	0	113.7	N106 Q111	N106-T109 PolarHBondContact O-N 2.85Å; N106-T109 PolarHBondContact OD1-N 3.48Å; T109-Q111 PolarHBondContact O-N 3.17Å
110	T	66.3	Low	84.5	Confident	128 Å²	128	50.8 Å²	50.8	79%	0.785	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	10.4	-172.1	67.3	0	0	0	0	115.1	N106	N106-T110 WeakPolarHBondContact O-CA 3.43Å; N106-T110 PolarHBondContact O-N 3.48Å
111	Q	77.4	Confident	84.5	Confident	71 Å²	71	54.1 Å²	54.1	33%	0.332	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.4	133.3	179.3	-67.3	179.9	1.8	0	0	111.4	S86 I87 S105 N106 T109	S86-Q111 PolarHBondContact O-OE1 3.41Å; I87-Q111 HydrophobicContact CD1-CB 4.27Å; I87-Q111 WeakPolarHBondContact CD1-O 3.47Å; S105-Q111 CarbonylContact C-O 3.47Å; S105-Q111 WeakPolarHBondContact CA-O 3.48Å; N106-Q111 PolarHBondContact N-O 3.44Å; T109-Q111 PolarHBondContact O-N 3.17Å
112	T	84.3	Confident	84.6	Confident	65 Å²	65	54.9 Å²	54.9	40%	0.399	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	125.6	176.8	-57.5	0	0	0	0	111.1	V103 I104	V103-T112 HydrophobicContact CG1-CG2 3.38Å; I104-T112 CarbonylContact O-C 3.11Å; I104-T112 WeakPolarHBondContact O-CA 3.33Å
113	F	91.7	Very high	84.7	Confident	14 Å²	14	55.7 Å²	55.7	6%	0.061	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115.2	174.1	-69.2	-3.3	0	0	0	110	F63 Y72 I87 V103 I104 L115	F63-F113 HydrophobicContact CE1-CD2 4.45Å; Y72-F113 AromaticContact CD1-CE2 3.93Å; Y72-F113 HydrophobicContact CD1-CE2 3.93Å; Y72-F113 HydrophobicContact CD1-CZ 4.02Å; Y72-F113 HydrophobicContact CE1-CE1 4.22Å; Y72-F113 HydrophobicContact CE1-CE2 4.14Å; Y72-F113 AromaticContact CE1-CZ 3.76Å; Y72-F113 HydrophobicContact CE1-CZ 3.76Å; I87-F113 HydrophobicContact CB-CD2 4.21Å; I87-F113 HydrophobicContact CB-CE2 3.82Å; I87-F113 HydrophobicContact CB-CZ 4.12Å; I87-F113 HydrophobicContact CG2-CD2 3.76Å; I87-F113 HydrophobicContact CG2-CE2 3.66Å; I87-F113 HydrophobicContact CG2-CZ 4.45Å; V103-F113 CarbonylContact C-O 2.99Å; V103-F113 VanDerWaalsContact CA-O 3.31Å; V103-F113 WeakPolarHBondContact CA-O 3.38Å; I104-F113 PolarHBondContact N-O 3.07Å; I104-F113 PolarHBondContact O-N 3.34Å; F113-L115 HydrophobicContact CB-CD1 4.42Å; F113-L115 HydrophobicContact CB-CD2 4.2Å; F113-L115 HydrophobicContact CB-CG 4.15Å
114	H	92.4	Very high	84.7	Confident	68 Å²	68	59.4 Å²	59.4	32%	0.315	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.6	167.5	-57.8	-98.9	0	0	0	109.2	W51 E97 V103	W51-H114 HydrophobicContact CB-CB 3.89Å; W51-H114 PolarHBondContact N-O 3.4Å; E97-H114 IonicContact OE1-ND1 3.81Å; V103-H114 HydrophobicContact CG2-CB 4.42Å; V103-H114 VanDerWaalsContact CG2-ND1 3.31Å; V103-H114 WeakPolarHBondContact CG2-ND1 3.38Å
115	L	96	Very high	84.8	Confident	0 Å²	0	64.9 Å²	64.9	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.7	-169.7	-57.6	179.8	0	0	0	111.1	L48 Y49 K50 F63 L70 N101 F102 I104 F113	L48-L115 HydrophobicContact CD1-CD1 4.16Å; Y49-L115 CarbonylContact O-C 3.55Å; Y49-L115 WeakPolarHBondContact O-CA 3.4Å; K50-L115 HydrophobicContact CB-CD2 3.96Å; K50-L115 HydrophobicContact CG-CD2 3.89Å; F63-L115 HydrophobicContact CE1-CD1 4.23Å; F63-L115 HydrophobicContact CE1-CD2 3.82Å; F63-L115 HydrophobicContact CE2-CD2 4.02Å; F63-L115 HydrophobicContact CZ-CD1 4.44Å; F63-L115 HydrophobicContact CZ-CD2 3.28Å; L70-L115 HydrophobicContact CD2-CD1 4.08Å; N101-L115 CarbonylContact C-O 3.53Å; N101-L115 WeakPolarHBondContact CA-O 3.41Å; F102-L115 HydrophobicContact CD1-CB 4.21Å; F102-L115 HydrophobicContact CD2-CB 4.29Å; F102-L115 HydrophobicContact CD2-CD1 4.41Å; F102-L115 HydrophobicContact CE1-CB 3.85Å; F102-L115 HydrophobicContact CE2-CB 3.94Å; F102-L115 HydrophobicContact CE2-CD1 3.64Å; F102-L115 HydrophobicContact CE2-CG 4.37Å; F102-L115 HydrophobicContact CG-CB 4.43Å; F102-L115 HydrophobicContact CZ-CB 3.71Å; F102-L115 HydrophobicContact CZ-CD1 3.89Å; F102-L115 HydrophobicContact CZ-CG 4.45Å; F102-L115 PolarHBondContact N-O 3.5Å; F102-L115 WeakPolarHBondContact O-CA 3.5Å; F102-L115 PolarHBondContact O-N 2.84Å; F102-L115 VanDerWaalsContact O-O 3.04Å; I104-L115 HydrophobicContact CD1-CD1 3.71Å; I104-L115 HydrophobicContact CG1-CD1 4.29Å; F113-L115 HydrophobicContact CB-CD1 4.42Å; F113-L115 HydrophobicContact CB-CD2 4.2Å; F113-L115 HydrophobicContact CB-CG 4.15Å
116	R	95	Very high	85.3	Confident	122 Å²	122	63.4 Å²	63.4	46%	0.46	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	125.9	176	-177.3	177.9	176.2	-175.9	1.5	110.4	Y49 Y58 C100 N101	Y49-R116 PolarHBondContact N-O 3.25Å; Y49-R116 PolarHBondContact O-N 2.98Å; Y58-R116 HydrophobicContact CD1-CB 4.17Å; Y58-R116 HydrophobicContact CE1-CB 4Å; C100-R116 HydrophobicContact CB-CG 4.4Å; C100-R116 WeakPolarHBondContact O-CA 3.15Å; N101-R116 WeakPolarHBondContact OD1-CB 3.38Å; N101-R116 WeakPolarHBondContact OD1-CD 3.39Å; N101-R116 WeakPolarHBondContact OD1-CG 3.45Å
117	A	95.1	Very high	86	Confident	2 Å²	2	63.9 Å²	63.9	2%	0.017	36%	0.358	C	S	.	.			trans	-85.9	164.4	171.6	0	0	0	0	0	111.7	L48 C100 S119 E122 R123	L48-A117 HydrophobicContact CD2-CB 3.81Å; C100-A117 PolarHBondContact O-N 3.02Å; A117-S119 VanDerWaalsContact C-N 3.3Å; A117-E122 HydrophobicContact CB-CB 4.07Å; A117-E122 HydrophobicContact CB-CG 4.11Å; A117-R123 HydrophobicContact CB-CB 3.65Å; A117-R123 VanDerWaalsContact CB-N 3.33Å
118	S	92.8	Very high	87.5	Confident	89 Å²	89	64.2 Å²	64.2	62%	0.622	35%	0.348	S	S	*	.	S	Bend	trans	-72.8	-24.7	177.9	67.6	0	0	0	0	113.2	E122	S118-E122 WeakPolarHBondContact CB-OE2 3.39Å; S118-E122 PolarHBondContact N-OE2 3.03Å; S118-E122 PolarHBondContact OG-OE2 3.22Å
119	S	91.6	Very high	89	Confident	46 Å²	46	59.1 Å²	59.1	32%	0.322	32%	0.318	S	S	.	.	S	Bend	trans	-147.8	162.7	179.8	63.8	0	0	0	0	111.2	C100 A117 V121 E122 R123	C100-S119 VanDerWaalsContact SG-C 3.59Å; A117-S119 VanDerWaalsContact C-N 3.3Å; S119-V121 PolarHBondContact O-N 2.65Å; S119-E122 PolarHBondContact O-N 2.87Å; S119-E122 WeakPolarHBondContact OG-CB 3.31Å; S119-E122 PolarHBondContact OG-N 2.83Å; S119-E122 VanDerWaalsContact OG-N 3.14Å; S119-R123 PolarHBondContact O-N 3.42Å
120	E	92.8	Very high	90.6	Very high	107 Å²	107	56 Å²	56	50%	0.5	30%	0.299	S	S	.	.	H	α-helix	trans	-58.7	-39.3	174.4	-173.9	175	176.3	0	0	112.3	S99 R123 Q124	S99-E120 VanDerWaalsContact O-CA 3.31Å; S99-E120 WeakPolarHBondContact O-CA 3.48Å; S99-E120 WeakPolarHBondContact O-CG 3.47Å; E120-R123 PolarHBondContact O-N 3.42Å; E120-R123 IonicContact OE1-NH2 3.05Å; E120-Q124 WeakPolarHBondContact O-CB 3.35Å; E120-Q124 PolarHBondContact O-N 3.4Å
121	V	91.8	Very high	91.6	Very high	98 Å²	98	52.4 Å²	52.4	59%	0.594	27%	0.273	S	S	*	.	H	α-helix	trans	-63.5	-46.8	177.6	179.5	0	0	0	0	110.9	S119 Q124 Q125	S119-V121 PolarHBondContact O-N 2.65Å; V121-Q124 PolarHBondContact O-N 3.48Å; V121-Q125 WeakPolarHBondContact O-CG 3.28Å; V121-Q125 PolarHBondContact O-N 2.96Å
122	E	93.6	Very high	91.9	Very high	40 Å²	40	53.2 Å²	53.2	19%	0.187	28%	0.279	C	S	.	.	H	α-helix	trans	-65.1	-40.9	177.9	-174.5	-178.4	-147.5	0	0	111.2	A117 S118 S119 Q124 Q125 W126	A117-E122 HydrophobicContact CB-CB 4.07Å; A117-E122 HydrophobicContact CB-CG 4.11Å; S118-E122 WeakPolarHBondContact CB-OE2 3.39Å; S118-E122 PolarHBondContact N-OE2 3.03Å; S118-E122 PolarHBondContact OG-OE2 3.22Å; S119-E122 PolarHBondContact O-N 2.87Å; S119-E122 WeakPolarHBondContact OG-CB 3.31Å; S119-E122 PolarHBondContact OG-N 2.83Å; S119-E122 VanDerWaalsContact OG-N 3.14Å; E122-Q124 VanDerWaalsContact C-N 3.33Å; E122-Q124 PolarHBondContact O-N 3.22Å; E122-Q125 WeakPolarHBondContact O-CB 3.22Å; E122-Q125 PolarHBondContact O-N 3.2Å; E122-W126 VanDerWaalsContact O-CD1 3.25Å; E122-W126 PolarHBondContact O-N 2.96Å
123	R	95.3	Very high	92.1	Very high	16 Å²	16	50.5 Å²	50.5	6%	0.06	26%	0.263	C	S	.	.	H	α-helix	trans	-57.2	-47.2	173.8	-177	-87.9	-54	150.4	5.9	110.9	S99 F102 A117 S119 E120 Q125 W126 V127	S99-R123 PolarHBondContact O-NE 3.33Å; S99-R123 PolarHBondContact O-NH2 2.92Å; F102-R123 HydrophobicContact CD1-CG 3.61Å; F102-R123 HydrophobicContact CE1-CG 4.13Å; F102-R123 HydrophobicContact CG-CG 4.38Å; A117-R123 HydrophobicContact CB-CB 3.65Å; A117-R123 VanDerWaalsContact CB-N 3.33Å; S119-R123 PolarHBondContact O-N 3.42Å; E120-R123 PolarHBondContact O-N 3.42Å; E120-R123 IonicContact OE1-NH2 3.05Å; R123-Q125 PolarHBondContact O-N 2.93Å; R123-W126 PolarHBondContact O-N 3.47Å; R123-V127 WeakPolarHBondContact O-CG2 3.41Å; R123-V127 PolarHBondContact O-N 3.31Å
124	Q	90.3	Very high	91.9	Very high	90 Å²	90	51.6 Å²	51.6	42%	0.421	27%	0.267	S	S	.	.	H	α-helix	trans	-63	-40.8	178.1	-171.6	61.9	60.8	0	0	112	E120 V121 E122 W126 V127 T128	E120-Q124 WeakPolarHBondContact O-CB 3.35Å; E120-Q124 PolarHBondContact O-N 3.4Å; V121-Q124 PolarHBondContact O-N 3.48Å; E122-Q124 VanDerWaalsContact C-N 3.33Å; E122-Q124 PolarHBondContact O-N 3.22Å; Q124-W126 PolarHBondContact O-N 3.36Å; Q124-V127 PolarHBondContact O-N 3.14Å; Q124-T128 PolarHBondContact NE2-OG1 2.89Å; Q124-T128 WeakPolarHBondContact O-CB 3.43Å; Q124-T128 PolarHBondContact O-N 2.93Å; Q124-T128 PolarHBondContact O-OG1 3.41Å
125	Q	92.8	Very high	91.1	Very high	116 Å²	116	51.5 Å²	51.5	54%	0.542	27%	0.271	S	S	.	.	H	α-helix	trans	-59.9	-44.9	175.1	-73.2	173.5	-5.6	0	0	112	V121 E122 R123 A129	V121-Q125 WeakPolarHBondContact O-CG 3.28Å; V121-Q125 PolarHBondContact O-N 2.96Å; E122-Q125 WeakPolarHBondContact O-CB 3.22Å; E122-Q125 PolarHBondContact O-N 3.2Å; R123-Q125 PolarHBondContact O-N 2.93Å; Q125-A129 WeakPolarHBondContact O-CB 3.38Å; Q125-A129 PolarHBondContact O-N 2.91Å
126	W	95.9	Very high	90.3	Very high	5 Å²	5	57.4 Å²	57.4	2%	0.019	29%	0.293	C	S	.	.	H	α-helix	trans	-64.2	-49.8	176.8	-84.4	102.8	0	0	0	112.5	L44 L48 F63 L65 L70 F102 E122 R123 Q124 T128 A129 L130	L44-W126 HydrophobicContact CB-CZ3 4.35Å; L44-W126 HydrophobicContact CD2-CD2 3.6Å; L44-W126 HydrophobicContact CD2-CE3 3.56Å; L44-W126 HydrophobicContact CD2-CG 4.1Å; L44-W126 HydrophobicContact CD2-CH2 4.3Å; L44-W126 HydrophobicContact CD2-CZ2 4.36Å; L44-W126 HydrophobicContact CD2-CZ3 3.91Å; L44-W126 HydrophobicContact CG-CD2 4.35Å; L44-W126 HydrophobicContact CG-CE3 4.18Å; L44-W126 HydrophobicContact CG-CH2 4.05Å; L44-W126 HydrophobicContact CG-CZ2 4.24Å; L44-W126 HydrophobicContact CG-CZ3 4.01Å; L48-W126 HydrophobicContact CD1-CD2 3.71Å; L48-W126 HydrophobicContact CD1-CE3 4.12Å; L48-W126 HydrophobicContact CD1-CG 4.03Å; L48-W126 HydrophobicContact CD1-CH2 4.49Å; L48-W126 HydrophobicContact CD1-CZ2 4.09Å; L48-W126 HydrophobicContact CD1-CZ3 4.5Å; L48-W126 HydrophobicContact CD2-CD2 4.48Å; L48-W126 HydrophobicContact CD2-CG 4.14Å; L48-W126 HydrophobicContact CG-CD2 4.26Å; L48-W126 HydrophobicContact CG-CG 4.43Å; L48-W126 HydrophobicContact CG-CZ2 4.16Å; F63-W126 HydrophobicContact CB-CH2 3.58Å; F63-W126 HydrophobicContact CB-CZ2 4.13Å; F63-W126 HydrophobicContact CB-CZ3 4.19Å; L65-W126 HydrophobicContact CB-CZ3 4.25Å; L70-W126 HydrophobicContact CD1-CZ3 3.83Å; F102-W126 HydrophobicContact CZ-CB 3.95Å; F102-W126 HydrophobicContact CZ-CG 4.46Å; E122-W126 VanDerWaalsContact O-CD1 3.25Å; E122-W126 PolarHBondContact O-N 2.96Å; R123-W126 PolarHBondContact O-N 3.47Å; Q124-W126 PolarHBondContact O-N 3.36Å; W126-T128 VanDerWaalsContact C-N 3.33Å; W126-T128 PolarHBondContact O-N 3.36Å; W126-A129 PolarHBondContact O-N 3.02Å; W126-L130 WeakPolarHBondContact O-CB 3.3Å; W126-L130 WeakPolarHBondContact O-CD1 2.96Å; W126-L130 WeakPolarHBondContact O-CG 3.49Å; W126-L130 PolarHBondContact O-N 2.73Å
127	V	91.8	Very high	89.5	Confident	15 Å²	15	52.3 Å²	52.3	9%	0.091	28%	0.278	C	S	.	.	H	α-helix	trans	-59.2	-45.6	-179.7	171	0	0	0	0	110.8	I94 F102 R123 Q124 A129 L130 E131	I94-V127 HydrophobicContact CG2-CG1 4.33Å; I94-V127 HydrophobicContact CG2-CG2 4.44Å; F102-V127 HydrophobicContact CB-CG2 4.29Å; F102-V127 HydrophobicContact CD2-CG2 4.06Å; F102-V127 HydrophobicContact CG-CG2 4.09Å; R123-V127 WeakPolarHBondContact O-CG2 3.41Å; R123-V127 PolarHBondContact O-N 3.31Å; Q124-V127 PolarHBondContact O-N 3.14Å; V127-A129 PolarHBondContact O-N 3.49Å; V127-L130 PolarHBondContact O-N 2.98Å; V127-E131 HydrophobicContact CG1-CG 4.5Å; V127-E131 WeakPolarHBondContact O-CG 3.25Å; V127-E131 PolarHBondContact O-N 3.37Å
128	T	89.4	Confident	88.5	Confident	69 Å²	69	54.3 Å²	54.3	42%	0.423	29%	0.288	S	S	.	.	H	α-helix	trans	-60.8	-44.6	176.7	-60.3	0	0	0	0	111.9	Q124 W126 L132	Q124-T128 PolarHBondContact NE2-OG1 2.89Å; Q124-T128 WeakPolarHBondContact O-CB 3.43Å; Q124-T128 PolarHBondContact O-N 2.93Å; Q124-T128 PolarHBondContact O-OG1 3.41Å; W126-T128 VanDerWaalsContact C-N 3.33Å; W126-T128 PolarHBondContact O-N 3.36Å; T128-L132 HydrophobicContact CG2-CD1 4.13Å; T128-L132 WeakPolarHBondContact O-CB 3.5Å; T128-L132 VanDerWaalsContact O-CG 3.3Å; T128-L132 WeakPolarHBondContact O-CG 3.27Å; T128-L132 PolarHBondContact O-N 3.5Å; T128-L132 VanDerWaalsContact O-N 3.08Å
129	A	91.5	Very high	87.4	Confident	15 Å²	15	58.1 Å²	58.1	12%	0.124	29%	0.288	C	S	.	.	H	α-helix	trans	-65.2	-39.4	178.5	0	0	0	0	0	112.3	L44 L65 Q125 W126 V127 A133	L44-A129 HydrophobicContact CB-CB 4.26Å; L44-A129 HydrophobicContact CD2-CB 3.59Å; L65-A129 HydrophobicContact CD2-CB 3.86Å; Q125-A129 WeakPolarHBondContact O-CB 3.38Å; Q125-A129 PolarHBondContact O-N 2.91Å; W126-A129 PolarHBondContact O-N 3.02Å; V127-A129 PolarHBondContact O-N 3.49Å; A129-A133 WeakPolarHBondContact O-CB 3.27Å; A129-A133 PolarHBondContact O-N 3.38Å
130	L	94	Very high	86.3	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-67.6	-44.8	179	-70.8	164.7	0	0	0	112.1	L65 L70 L89 I94 F102 I104 W126 V127 A133 R134	L65-L130 HydrophobicContact CD1-CD2 3.89Å; L65-L130 HydrophobicContact CD2-CD2 4.07Å; L65-L130 HydrophobicContact CD2-CG 4.4Å; L70-L130 HydrophobicContact CB-CD2 4.11Å; L70-L130 HydrophobicContact CD1-CD2 4.09Å; L70-L130 HydrophobicContact CD2-CD2 3.88Å; L70-L130 HydrophobicContact CG-CD2 4.24Å; L89-L130 HydrophobicContact CD1-CD2 3.92Å; L89-L130 HydrophobicContact CD2-CD2 4.17Å; I94-L130 HydrophobicContact CD1-CB 3.61Å; F102-L130 HydrophobicContact CE2-CD1 3.77Å; I104-L130 HydrophobicContact CD1-CD1 3.65Å; I104-L130 HydrophobicContact CD1-CD2 4.24Å; I104-L130 HydrophobicContact CG1-CD1 4.5Å; W126-L130 WeakPolarHBondContact O-CB 3.3Å; W126-L130 WeakPolarHBondContact O-CD1 2.96Å; W126-L130 WeakPolarHBondContact O-CG 3.49Å; W126-L130 PolarHBondContact O-N 2.73Å; V127-L130 PolarHBondContact O-N 2.98Å; L130-A133 PolarHBondContact O-N 2.84Å; L130-R134 VanDerWaalsContact O-CB 3.3Å; L130-R134 WeakPolarHBondContact O-CB 3.42Å; L130-R134 PolarHBondContact O-N 3.04Å
131	E	87.8	Confident	85.1	Confident	53 Å²	53	54.1 Å²	54.1	25%	0.248	28%	0.276	C	S	.	.	H	α-helix	trans	-61.8	-43.6	175.2	-75.7	-70.1	176.7	0	0	111.4	I94 V127 A133 R134 V135	I94-E131 HydrophobicContact CD1-CG 4.03Å; V127-E131 HydrophobicContact CG1-CG 4.5Å; V127-E131 WeakPolarHBondContact O-CG 3.25Å; V127-E131 PolarHBondContact O-N 3.37Å; E131-A133 PolarHBondContact O-N 2.99Å; E131-R134 WeakPolarHBondContact O-CB 3.42Å; E131-R134 PolarHBondContact O-N 3.37Å; E131-R134 IonicContact OE1-NH1 3.53Å; E131-R134 IonicContact OE2-NH1 3.82Å; E131-R134 PolarHBondContact OE2-NH1 3.29Å; E131-R134 VanDerWaalsContact OE2-NH1 3.14Å; E131-V135 WeakPolarHBondContact O-CG2 3.43Å; E131-V135 PolarHBondContact O-N 2.89Å
132	L	84.9	Confident	83.6	Confident	87 Å²	87	52.4 Å²	52.4	46%	0.455	26%	0.262	S	S	.	.	H	α-helix	trans	-62.1	-42.7	175.2	-74.4	171.5	0	0	0	112.3	T128 R134 R136	T128-L132 HydrophobicContact CG2-CD1 4.13Å; T128-L132 WeakPolarHBondContact O-CB 3.5Å; T128-L132 VanDerWaalsContact O-CG 3.3Å; T128-L132 WeakPolarHBondContact O-CG 3.27Å; T128-L132 PolarHBondContact O-N 3.5Å; T128-L132 VanDerWaalsContact O-N 3.08Å; L132-R134 VanDerWaalsContact C-N 3.35Å; L132-R136 WeakPolarHBondContact O-CG 3.33Å; L132-R136 PolarHBondContact O-N 3.45Å; L132-R136 VanDerWaalsContact O-N 3.13Å
133	A	88.7	Confident	82	Confident	8 Å²	8	55.2 Å²	55.2	7%	0.066	28%	0.277	C	S	.	.	H	α-helix	trans	-66.6	-37.2	177.3	0	0	0	0	0	112.2	L65 L89 A129 L130 E131 R136 A137	L65-A133 HydrophobicContact CD1-CB 3.79Å; L65-A133 HydrophobicContact CD2-CB 3.98Å; L65-A133 HydrophobicContact CG-CB 4.16Å; L89-A133 HydrophobicContact CD1-CB 3.83Å; A129-A133 WeakPolarHBondContact O-CB 3.27Å; A129-A133 PolarHBondContact O-N 3.38Å; L130-A133 PolarHBondContact O-N 2.84Å; E131-A133 PolarHBondContact O-N 2.99Å; A133-R136 PolarHBondContact O-N 2.89Å; A133-A137 WeakPolarHBondContact O-CB 3.09Å; A133-A137 PolarHBondContact O-N 3.49Å
134	R	86.6	Confident	80.4	Confident	37 Å²	37	58.2 Å²	58.2	14%	0.14	29%	0.292	C	S	.	.	H	α-helix	trans	-61.8	-52.3	174.4	170	169.8	176.3	-115.1	2.2	112	L89 A92 L130 E131 L132 R136 A137 I138	L89-R134 HydrophobicContact CB-CB 4.05Å; L89-R134 VanDerWaalsContact O-CG 3.29Å; L89-R134 WeakPolarHBondContact O-CG 3.15Å; A92-R134 WeakPolarHBondContact O-CD 3.45Å; A92-R134 VanDerWaalsContact O-CZ 3.32Å; A92-R134 PolarHBondContact O-NE 3.49Å; A92-R134 PolarHBondContact O-NH2 3.05Å; L130-R134 VanDerWaalsContact O-CB 3.3Å; L130-R134 WeakPolarHBondContact O-CB 3.42Å; L130-R134 PolarHBondContact O-N 3.04Å; E131-R134 WeakPolarHBondContact O-CB 3.42Å; E131-R134 PolarHBondContact O-N 3.37Å; E131-R134 IonicContact OE1-NH1 3.53Å; E131-R134 IonicContact OE2-NH1 3.82Å; E131-R134 PolarHBondContact OE2-NH1 3.29Å; E131-R134 VanDerWaalsContact OE2-NH1 3.14Å; L132-R134 VanDerWaalsContact C-N 3.35Å; R134-R136 VanDerWaalsContact C-N 3.25Å; R134-R136 PolarHBondContact O-N 3.28Å; R134-A137 WeakPolarHBondContact O-CB 3.49Å; R134-A137 PolarHBondContact O-N 2.83Å; R134-I138 HydrophobicContact CG-CD1 4.01Å; R134-I138 WeakPolarHBondContact O-CG1 3.19Å; R134-I138 PolarHBondContact O-N 3.48Å
135	V	75.7	Confident	78.7	Confident	66 Å²	66	56.9 Å²	56.9	40%	0.4	29%	0.286	S	S	.	.	H	α-helix	trans	-58.6	-40	178	172.8	0	0	0	0	111	E131 I138 R139	E131-V135 WeakPolarHBondContact O-CG2 3.43Å; E131-V135 PolarHBondContact O-N 2.89Å; V135-I138 PolarHBondContact O-N 3.32Å; V135-R139 WeakPolarHBondContact O-CB 3.16Å; V135-R139 WeakPolarHBondContact O-CG 3.25Å; V135-R139 PolarHBondContact O-N 2.8Å
136	R	78.3	Confident	76.8	Confident	124 Å²	124	56.5 Å²	56.5	47%	0.468	29%	0.287	S	S	.	.	H	α-helix	trans	-65.2	-40.9	174.6	-74.5	-179.5	-173	169.1	6	112.9	C42 L132 A133 R134 R139 A140	C42-R136 PolarHBondContact SG-NH1 3.25Å; C42-R136 VanDerWaalsContact SG-NH1 3.38Å; L132-R136 WeakPolarHBondContact O-CG 3.33Å; L132-R136 PolarHBondContact O-N 3.45Å; L132-R136 VanDerWaalsContact O-N 3.13Å; A133-R136 PolarHBondContact O-N 2.89Å; R134-R136 VanDerWaalsContact C-N 3.25Å; R134-R136 PolarHBondContact O-N 3.28Å; R136-R139 PolarHBondContact O-N 3.27Å; R136-A140 VanDerWaalsContact O-CB 3.26Å; R136-A140 WeakPolarHBondContact O-CB 3.32Å; R136-A140 PolarHBondContact O-N 3.49Å
137	A	79.5	Confident	75	Confident	16 Å²	16	59.7 Å²	59.7	13%	0.132	30%	0.301	C	S	.	.	H	α-helix	trans	-63.1	-42.5	177.6	0	0	0	0	0	111.6	Q90 A133 R134 A140 A141	Q90-A137 HydrophobicContact CB-CB 4.28Å; A133-A137 WeakPolarHBondContact O-CB 3.09Å; A133-A137 PolarHBondContact O-N 3.49Å; R134-A137 WeakPolarHBondContact O-CB 3.49Å; R134-A137 PolarHBondContact O-N 2.83Å; A137-A140 PolarHBondContact O-N 2.92Å; A137-A141 PolarHBondContact O-N 2.89Å
138	I	73	Confident	73.3	Confident	44 Å²	44	64.4 Å²	64.4	23%	0.226	33%	0.325	C	S	.	.	H	α-helix	trans	-61.5	-51.7	174.8	-65.2	167.2	0	0	0	110.2	Q90 R134 V135 A140 A141 E142	Q90-I138 HydrophobicContact CG-CG1 4.2Å; Q90-I138 WeakPolarHBondContact O-CG1 3.4Å; R134-I138 HydrophobicContact CG-CD1 4.01Å; R134-I138 WeakPolarHBondContact O-CG1 3.19Å; R134-I138 PolarHBondContact O-N 3.48Å; V135-I138 PolarHBondContact O-N 3.32Å; I138-A140 VanDerWaalsContact C-N 3.31Å; I138-A140 PolarHBondContact O-N 3.31Å; I138-A141 WeakPolarHBondContact O-CB 3.41Å; I138-A141 PolarHBondContact O-N 3.4Å; I138-A141 VanDerWaalsContact O-N 3.16Å; I138-E142 HydrophobicContact CG2-CG 4.38Å; I138-E142 WeakPolarHBondContact O-CG 3.29Å; I138-E142 PolarHBondContact O-N 3.39Å
139	R	70.2	Confident	71.8	Confident	169 Å²	169	67.5 Å²	67.5	64%	0.638	34%	0.335	S	S	*	.	H	α-helix	trans	-61.8	-36.2	178.7	-75.1	-175.8	-179	-174.6	1.1	113.5	V135 R136 L143	V135-R139 WeakPolarHBondContact O-CB 3.16Å; V135-R139 WeakPolarHBondContact O-CG 3.25Å; V135-R139 PolarHBondContact O-N 2.8Å; R136-R139 PolarHBondContact O-N 3.27Å; R139-L143 WeakPolarHBondContact O-CB 3.42Å; R139-L143 PolarHBondContact O-N 3.47Å
140	A	69.4	Low	70.5	Confident	50 Å²	50	69.3 Å²	69.3	41%	0.413	34%	0.342	S	S	.	.	H	α-helix	trans	-65.8	-42.2	176.7	0	0	0	0	0	111	R136 A137 I138 L143 E144	R136-A140 VanDerWaalsContact O-CB 3.26Å; R136-A140 WeakPolarHBondContact O-CB 3.32Å; R136-A140 PolarHBondContact O-N 3.49Å; A137-A140 PolarHBondContact O-N 2.92Å; I138-A140 VanDerWaalsContact C-N 3.31Å; I138-A140 PolarHBondContact O-N 3.31Å; A140-L143 PolarHBondContact O-N 2.75Å; A140-E144 WeakPolarHBondContact O-CG 3.42Å; A140-E144 PolarHBondContact O-N 3.24Å
141	A	66.2	Low	69.3	Low	18 Å²	18	70.5 Å²	70.5	15%	0.149	35%	0.352	C	S	.	.	H	α-helix	trans	-64.8	-45.3	174.6	0	0	0	0	0	112	Q90 A137 I138 L143 E144 E145	Q90-A141 VanDerWaalsContact NE2-CB 3.28Å; A137-A141 PolarHBondContact O-N 2.89Å; I138-A141 WeakPolarHBondContact O-CB 3.41Å; I138-A141 PolarHBondContact O-N 3.4Å; I138-A141 VanDerWaalsContact O-N 3.16Å; A141-L143 VanDerWaalsContact C-N 3.3Å; A141-L143 PolarHBondContact O-N 2.85Å; A141-E144 PolarHBondContact O-N 3.04Å; A141-E145 PolarHBondContact O-N 2.94Å
142	E	60.6	Low	68.5	Low	63 Å²	63	72.1 Å²	72.1	29%	0.294	36%	0.362	S	S	.	.	H	α-helix	trans	-59	-41.9	174.6	-71.3	173.6	159.4	0	0	111.2	I138 E145 L146 Y291	I138-E142 HydrophobicContact CG2-CG 4.38Å; I138-E142 WeakPolarHBondContact O-CG 3.29Å; I138-E142 PolarHBondContact O-N 3.39Å; E142-E145 PolarHBondContact O-N 3.3Å; E142-L146 WeakPolarHBondContact O-CB 3.48Å; E142-L146 PolarHBondContact O-N 3.43Å; E142-Y291 WeakPolarHBondContact OE1-CE1 3.35Å; E142-Y291 PolarHBondContact OE1-OH 2.99Å
143	L	59.7	Low	68	Low	98 Å²	98	71.4 Å²	71.4	51%	0.513	36%	0.361	S	S	.	.	H	α-helix	trans	-68.3	-35	178	-174.2	68.6	0	0	0	112.4	R139 A140 A141 K147	R139-L143 WeakPolarHBondContact O-CB 3.42Å; R139-L143 PolarHBondContact O-N 3.47Å; A140-L143 PolarHBondContact O-N 2.75Å; A141-L143 VanDerWaalsContact C-N 3.3Å; A141-L143 PolarHBondContact O-N 2.85Å; L143-K147 HydrophobicContact CG-CD 4.45Å; L143-K147 WeakPolarHBondContact O-CB 3.5Å; L143-K147 VanDerWaalsContact O-CD 3.28Å; L143-K147 WeakPolarHBondContact O-CD 3.38Å; L143-K147 WeakPolarHBondContact O-CG 3.3Å; L143-K147 PolarHBondContact O-N 3.48Å
144	E	61.7	Low	67.5	Low	79 Å²	79	74 Å²	74	37%	0.369	37%	0.37	S	S	.	.	H	α-helix	trans	-66.4	-42	173	-77.8	-176.3	-178.8	0	0	111.4	A140 A141 K147 L148 L211 Q215	A140-E144 WeakPolarHBondContact O-CG 3.42Å; A140-E144 PolarHBondContact O-N 3.24Å; A141-E144 PolarHBondContact O-N 3.04Å; E144-K147 WeakPolarHBondContact O-CB 3.44Å; E144-K147 PolarHBondContact O-N 3.31Å; E144-L148 PolarHBondContact O-N 3.38Å; E144-L211 HydrophobicContact CG-CD2 3.83Å; E144-L211 WeakPolarHBondContact OE1-CD2 3.38Å; E144-Q215 PolarHBondContact OE2-NE2 3.47Å
145	E	55.1	Low	67.1	Low	62 Å²	62	78.1 Å²	78.1	29%	0.29	39%	0.39	S	S	.	.	H	α-helix	trans	-66.4	-48.2	178.8	-170.1	178	178.4	0	0	112	A141 E142 K147 L148 E149 Y288	A141-E145 PolarHBondContact O-N 2.94Å; E142-E145 PolarHBondContact O-N 3.3Å; E145-K147 PolarHBondContact O-N 2.91Å; E145-L148 PolarHBondContact O-N 3.36Å; E145-E149 PolarHBondContact O-N 3.29Å; E145-Y288 WeakPolarHBondContact OE1-CD2 3.42Å; E145-Y288 WeakPolarHBondContact OE1-CE2 3.41Å; E145-Y288 WeakPolarHBondContact OE2-CE1 3.48Å; E145-Y288 PolarHBondContact OE2-OH 3.38Å
146	L	53.3	Low	67.4	Low	108 Å²	108	83.1 Å²	83.1	57%	0.565	40%	0.402	S	S	*	.	H	α-helix	trans	-61.2	-29.4	177.6	-136.9	127	0	0	0	111.7	E142 N150	E142-L146 WeakPolarHBondContact O-CB 3.48Å; E142-L146 PolarHBondContact O-N 3.43Å; L146-N150 WeakPolarHBondContact O-CB 3.49Å; L146-N150 PolarHBondContact O-N 3.27Å; L146-N150 PolarHBondContact O-ND2 2.92Å
147	K	57.5	Low	67.6	Low	72 Å²	72	80.1 Å²	80.1	31%	0.313	40%	0.395	S	S	.	.	H	α-helix	trans	-71.2	-32.9	174.6	-77.6	168.4	-177.2	170.8	0	112.7	L143 E144 E145	L143-K147 HydrophobicContact CG-CD 4.45Å; L143-K147 WeakPolarHBondContact O-CB 3.5Å; L143-K147 VanDerWaalsContact O-CD 3.28Å; L143-K147 WeakPolarHBondContact O-CD 3.38Å; L143-K147 WeakPolarHBondContact O-CG 3.3Å; L143-K147 PolarHBondContact O-N 3.48Å; E144-K147 WeakPolarHBondContact O-CB 3.44Å; E144-K147 PolarHBondContact O-N 3.31Å; E145-K147 PolarHBondContact O-N 2.91Å
148	L	55.6	Low	67.9	Low	114 Å²	114	79.8 Å²	79.8	60%	0.597	39%	0.392	S	S	*	.	H	α-helix	trans	-75.9	-45.1	-179.2	-170.9	66.6	0	0	0	111.8	E144 E145 N150 A151	E144-L148 PolarHBondContact O-N 3.38Å; E145-L148 PolarHBondContact O-N 3.36Å; L148-N150 PolarHBondContact O-N 3.47Å; L148-A151 VanDerWaalsContact O-CB 3.27Å; L148-A151 WeakPolarHBondContact O-CB 3.28Å; L148-A151 PolarHBondContact O-N 3Å
149	E	58.2	Low	68.4	Low	135 Å²	135	80 Å²	80	63%	0.631	41%	0.405	S	S	*	.	H	α-helix	trans	-58.1	-37.5	175.4	-71.8	-165.9	149.4	0	0	111.8	E145 A151 L152 V153	E145-E149 PolarHBondContact O-N 3.29Å; E149-A151 VanDerWaalsContact C-N 3.25Å; E149-A151 PolarHBondContact O-N 3.48Å; E149-L152 PolarHBondContact O-N 3.43Å; E149-V153 PolarHBondContact O-N 3.26Å
150	N	64.5	Low	69.1	Low	52 Å²	52	79.2 Å²	79.2	28%	0.278	41%	0.406	S	S	.	.	H	α-helix	trans	-61.2	-30.7	176.3	-82.3	-34.3	0	0	0	113.1	L146 L148 L152 V153 Y154	L146-N150 WeakPolarHBondContact O-CB 3.49Å; L146-N150 PolarHBondContact O-N 3.27Å; L146-N150 PolarHBondContact O-ND2 2.92Å; L148-N150 PolarHBondContact O-N 3.47Å; N150-L152 PolarHBondContact O-N 3.04Å; N150-V153 PolarHBondContact O-N 3.42Å; N150-Y154 HydrophobicContact CB-CD2 4.2Å; N150-Y154 HydrophobicContact CB-CE2 3.83Å; N150-Y154 WeakPolarHBondContact O-CD2 3.13Å; N150-Y154 PolarHBondContact O-N 2.85Å
151	A	68.2	Low	70.1	Confident	26 Å²	26	78.6 Å²	78.6	22%	0.215	40%	0.395	C	S	.	.	H	α-helix	trans	-61.5	-45.6	179.6	0	0	0	0	0	112	L148 E149 V153 Y154 Q155 V204	L148-A151 VanDerWaalsContact O-CB 3.27Å; L148-A151 WeakPolarHBondContact O-CB 3.28Å; L148-A151 PolarHBondContact O-N 3Å; E149-A151 VanDerWaalsContact C-N 3.25Å; E149-A151 PolarHBondContact O-N 3.48Å; A151-V153 VanDerWaalsContact C-N 3.33Å; A151-V153 PolarHBondContact O-N 3.42Å; A151-Y154 PolarHBondContact O-N 2.97Å; A151-Q155 PolarHBondContact O-N 2.8Å; A151-V204 HydrophobicContact CB-CG1 3.57Å
152	L	70.8	Confident	71.2	Confident	87 Å²	87	78.6 Å²	78.6	46%	0.455	40%	0.397	S	S	.	.	H	α-helix	trans	-66.4	-37.3	178.9	-175.3	63.6	0	0	0	111.6	E149 N150 R156	E149-L152 PolarHBondContact O-N 3.43Å; N150-L152 PolarHBondContact O-N 3.04Å; L152-R156 WeakPolarHBondContact O-CG 3.46Å; L152-R156 PolarHBondContact O-N 2.93Å; L152-R156 VanDerWaalsContact O-N 3.14Å
153	V	75.6	Confident	72.6	Confident	71 Å²	71	81.7 Å²	81.7	43%	0.43	41%	0.411	S	S	.	.	H	α-helix	trans	-64.1	-47.4	175.8	177	0	0	0	0	110.7	E149 N150 A151 Q155 R156 L157	E149-V153 PolarHBondContact O-N 3.26Å; N150-V153 PolarHBondContact O-N 3.42Å; A151-V153 VanDerWaalsContact C-N 3.33Å; A151-V153 PolarHBondContact O-N 3.42Å; V153-Q155 PolarHBondContact O-N 3.33Å; V153-R156 PolarHBondContact O-N 2.76Å; V153-L157 WeakPolarHBondContact O-CB 3.4Å; V153-L157 PolarHBondContact O-N 3.1Å
154	Y	77.7	Confident	74	Confident	64 Å²	64	79.1 Å²	79.1	25%	0.251	40%	0.401	S	S	.	.	H	α-helix	trans	-65.1	-38.2	178.9	-70.9	-54.8	0	0	0	112.7	N150 A151 L157 A158 A200 V204	N150-Y154 HydrophobicContact CB-CD2 4.2Å; N150-Y154 HydrophobicContact CB-CE2 3.83Å; N150-Y154 WeakPolarHBondContact O-CD2 3.13Å; N150-Y154 PolarHBondContact O-N 2.85Å; A151-Y154 PolarHBondContact O-N 2.97Å; Y154-L157 PolarHBondContact O-N 2.69Å; Y154-A158 VanDerWaalsContact O-CB 3.28Å; Y154-A158 WeakPolarHBondContact O-CB 3.44Å; Y154-A158 PolarHBondContact O-N 2.9Å; Y154-A200 HydrophobicContact CD1-CB 3.92Å; Y154-A200 HydrophobicContact CE1-CB 3.8Å; Y154-A200 HydrophobicContact CG-CB 4.39Å; Y154-V204 HydrophobicContact CD2-CB 4.39Å; Y154-V204 HydrophobicContact CD2-CG2 3.76Å; Y154-V204 HydrophobicContact CE2-CG2 3.73Å
155	Q	79	Confident	75.5	Confident	122 Å²	122	76.8 Å²	76.8	57%	0.57	39%	0.391	S	S	*	.	H	α-helix	trans	-59	-48.5	174.1	-174.5	-170.4	5.1	0	0	111.3	A151 V153 L157 G159	A151-Q155 PolarHBondContact O-N 2.8Å; V153-Q155 PolarHBondContact O-N 3.33Å; Q155-L157 VanDerWaalsContact C-N 3.35Å; Q155-L157 PolarHBondContact O-N 3.1Å; Q155-G159 PolarHBondContact O-N 3.46Å; Q155-G159 VanDerWaalsContact O-N 3.07Å
156	R	82	Confident	77.1	Confident	171 Å²	171	79.8 Å²	79.8	65%	0.645	41%	0.405	S	S	*	.	H	α-helix	trans	-63.2	-41.1	177.7	-71.9	176.5	-179.4	177.6	1.3	112	L152 V153 G159 K160	L152-R156 WeakPolarHBondContact O-CG 3.46Å; L152-R156 PolarHBondContact O-N 2.93Å; L152-R156 VanDerWaalsContact O-N 3.14Å; V153-R156 PolarHBondContact O-N 2.76Å; R156-G159 PolarHBondContact O-N 3.15Å; R156-K160 PolarHBondContact O-N 2.81Å
157	L	82.5	Confident	78.9	Confident	62 Å²	62	80.1 Å²	80.1	33%	0.325	40%	0.402	S	S	.	.	H	α-helix	trans	-69.8	-41.4	-178.6	-165.9	67	0	0	0	111.8	V153 Y154 Q155 G159 K160 H161 T197	V153-L157 WeakPolarHBondContact O-CB 3.4Å; V153-L157 PolarHBondContact O-N 3.1Å; Y154-L157 PolarHBondContact O-N 2.69Å; Q155-L157 VanDerWaalsContact C-N 3.35Å; Q155-L157 PolarHBondContact O-N 3.1Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 3.38Å; L157-K160 PolarHBondContact O-N 3.28Å; L157-H161 PolarHBondContact O-N 3.47Å; L157-T197 HydrophobicContact CD2-CG2 3.46Å; L157-T197 VanDerWaalsContact CD2-CG2 3.46Å; L157-T197 HydrophobicContact CG-CG2 3.82Å
158	A	85.3	Confident	80.3	Confident	8 Å²	8	76.9 Å²	76.9	7%	0.066	39%	0.389	C	S	.	.	H	α-helix	trans	-59.5	-43.4	173	0	0	0	0	0	111.1	Y154 K160 H161 G162 F194 T198 M201	Y154-A158 VanDerWaalsContact O-CB 3.28Å; Y154-A158 WeakPolarHBondContact O-CB 3.44Å; Y154-A158 PolarHBondContact O-N 2.9Å; A158-K160 PolarHBondContact O-N 2.85Å; A158-H161 PolarHBondContact O-N 3.03Å; A158-G162 PolarHBondContact O-N 2.7Å; A158-F194 WeakPolarHBondContact O-CD2 3.49Å; A158-F194 WeakPolarHBondContact O-CE2 3.26Å; A158-T198 HydrophobicContact CB-CG2 4.28Å; A158-M201 HydrophobicContact CB-SD 4.14Å
159	G	83.1	Confident	81.8	Confident	48 Å²	48	75.2 Å²	75.2	50%	0.495	38%	0.38	S	S	.	.	H	α-helix	trans	-58.7	-45.5	173.8	0	0	0	0	0	113.1	Q155 R156 L157 G162 H163	Q155-G159 PolarHBondContact O-N 3.46Å; Q155-G159 VanDerWaalsContact O-N 3.07Å; R156-G159 PolarHBondContact O-N 3.15Å; L157-G159 VanDerWaalsContact C-N 3.33Å; L157-G159 PolarHBondContact O-N 3.38Å; G159-G162 PolarHBondContact O-N 3.37Å; G159-H163 WeakPolarHBondContact O-CB 3.31Å; G159-H163 PolarHBondContact O-N 2.83Å
160	K	85.8	Confident	83.2	Confident	153 Å²	153	73.9 Å²	73.9	67%	0.665	37%	0.374	S	S	*	.	H	α-helix	trans	-63.2	-46.1	176.5	-75.2	-176.9	178	-177	0	112.8	R156 L157 A158 H163 S164	R156-K160 PolarHBondContact O-N 2.81Å; L157-K160 PolarHBondContact O-N 3.28Å; A158-K160 PolarHBondContact O-N 2.85Å; K160-H163 PolarHBondContact O-N 3.12Å; K160-S164 WeakPolarHBondContact O-CB 3.26Å; K160-S164 PolarHBondContact O-N 2.94Å
161	H	90.1	Very high	84.1	Confident	37 Å²	37	75.4 Å²	75.4	17%	0.171	38%	0.379	C	S	.	.	H	α-helix	trans	-67	-37.8	178.8	-68.7	165.7	0	0	0	111.9	L157 A158 S164 L165 L193 F194 T197	L157-H161 PolarHBondContact O-N 3.47Å; A158-H161 PolarHBondContact O-N 3.03Å; H161-S164 PolarHBondContact O-N 2.87Å; H161-L165 WeakPolarHBondContact O-CB 3.28Å; H161-L165 PolarHBondContact O-N 3.41Å; H161-L193 PolarHBondContact ND1-O 2.91Å; H161-F194 HydrophobicContact CB-CB 4.01Å; H161-F194 HydrophobicContact CB-CD2 3.92Å; H161-F194 HydrophobicContact CB-CG 4.48Å; H161-T197 WeakPolarHBondContact CE1-CG2 3.14Å; H161-T197 WeakPolarHBondContact ND1-CG2 3.41Å; H161-T197 PolarHBondContact ND1-OG1 2.89Å
162	G	89.7	Confident	84.6	Confident	19 Å²	19	76.3 Å²	76.3	20%	0.196	38%	0.38	C	S	.	.	H	α-helix	trans	-61.9	-46.9	174.5	0	0	0	0	0	111.8	A158 G159 S164 L165 Q166 F194	A158-G162 PolarHBondContact O-N 2.7Å; G159-G162 PolarHBondContact O-N 3.37Å; G162-S164 PolarHBondContact O-N 2.88Å; G162-L165 PolarHBondContact O-N 2.79Å; G162-Q166 WeakPolarHBondContact O-CB 3.34Å; G162-Q166 PolarHBondContact O-N 3.4Å; G162-F194 VanDerWaalsContact N-CD2 3.28Å
163	H	89.9	Confident	85	Confident	127 Å²	127	79.6 Å²	79.6	59%	0.588	39%	0.393	S	S	*	.	H	α-helix	trans	-63	-41.8	176	-172.6	71.4	0	0	0	112.5	G159 K160 L165 Q166 K167	G159-H163 WeakPolarHBondContact O-CB 3.31Å; G159-H163 PolarHBondContact O-N 2.83Å; K160-H163 PolarHBondContact O-N 3.12Å; H163-L165 PolarHBondContact O-N 2.71Å; H163-Q166 PolarHBondContact O-N 3.12Å; H163-K167 WeakPolarHBondContact O-CB 3.48Å; H163-K167 PolarHBondContact O-N 2.95Å
164	S	88.7	Confident	85.1	Confident	45 Å²	45	82.8 Å²	82.8	32%	0.315	41%	0.407	S	S	.	.	H	α-helix	trans	-61.8	-42.2	176.2	-174.2	0	0	0	0	112.2	K160 H161 G162 A168 R190	K160-S164 WeakPolarHBondContact O-CB 3.26Å; K160-S164 PolarHBondContact O-N 2.94Å; H161-S164 PolarHBondContact O-N 2.87Å; G162-S164 PolarHBondContact O-N 2.88Å; S164-A168 PolarHBondContact O-N 3.09Å; S164-A168 VanDerWaalsContact O-N 3.1Å; S164-R190 WeakPolarHBondContact O-CD 3.41Å; S164-R190 PolarHBondContact O-NH1 3.02Å; S164-R190 WeakPolarHBondContact OG-CD 3.47Å; S164-R190 PolarHBondContact OG-NE 3.49Å
165	L	91.9	Very high	84.6	Confident	29 Å²	29	80.5 Å²	80.5	15%	0.152	40%	0.403	C	S	.	.	H	α-helix	trans	-64.3	-46.1	175.3	177.8	60.7	0	0	0	111.5	H161 G162 H163 K167 A168 L169 I187 R190 A191 F194	H161-L165 WeakPolarHBondContact O-CB 3.28Å; H161-L165 PolarHBondContact O-N 3.41Å; G162-L165 PolarHBondContact O-N 2.79Å; H163-L165 PolarHBondContact O-N 2.71Å; L165-K167 VanDerWaalsContact C-N 3.32Å; L165-K167 PolarHBondContact O-N 2.82Å; L165-A168 VanDerWaalsContact O-CB 3.31Å; L165-A168 WeakPolarHBondContact O-CB 3.15Å; L165-A168 PolarHBondContact O-N 3.31Å; L165-A168 VanDerWaalsContact O-N 3.11Å; L165-L169 HydrophobicContact CD1-CD1 4.38Å; L165-L169 HydrophobicContact CD1-CG 4.49Å; L165-L169 HydrophobicContact CG-CD1 4.19Å; L165-L169 WeakPolarHBondContact O-CG 3.41Å; L165-L169 PolarHBondContact O-N 3.34Å; L165-I187 HydrophobicContact CD1-CG2 4.09Å; L165-R190 HydrophobicContact CB-CB 4.34Å; L165-R190 HydrophobicContact CD1-CB 4.15Å; L165-A191 HydrophobicContact CD1-CB 4.04Å; L165-A191 HydrophobicContact CD2-CB 4.36Å; L165-F194 HydrophobicContact CD2-CB 4.44Å; L165-F194 HydrophobicContact CD2-CD1 4.27Å
166	Q	90.6	Very high	83.7	Confident	125 Å²	125	83.5 Å²	83.5	58%	0.584	42%	0.416	S	S	*	.	H	α-helix	trans	-58.9	-43.9	177.7	-172.5	177.8	7.9	0	0	111.7	G162 H163 A168 L169 Q170	G162-Q166 WeakPolarHBondContact O-CB 3.34Å; G162-Q166 PolarHBondContact O-N 3.4Å; H163-Q166 PolarHBondContact O-N 3.12Å; Q166-A168 VanDerWaalsContact C-N 3.31Å; Q166-A168 PolarHBondContact O-N 3.01Å; Q166-L169 PolarHBondContact O-N 3.24Å; Q166-Q170 PolarHBondContact O-N 3.4Å
167	K	89.3	Confident	82.5	Confident	115 Å²	115	79.2 Å²	79.2	50%	0.5	41%	0.409	S	S	.	.	H	α-helix	trans	-60.8	-40.2	175.2	-172.2	178.3	177.4	179.9	0	112.3	H163 L165 L169 Q170 E171	H163-K167 WeakPolarHBondContact O-CB 3.48Å; H163-K167 PolarHBondContact O-N 2.95Å; L165-K167 VanDerWaalsContact C-N 3.32Å; L165-K167 PolarHBondContact O-N 2.82Å; K167-L169 VanDerWaalsContact C-N 3.32Å; K167-L169 PolarHBondContact O-N 2.98Å; K167-Q170 PolarHBondContact O-N 2.84Å; K167-E171 WeakPolarHBondContact CE-OE1 3.37Å; K167-E171 WeakPolarHBondContact O-CG 3.37Å; K167-E171 PolarHBondContact O-N 3.18Å; K167-E171 VanDerWaalsContact O-N 3.09Å
168	A	87.1	Confident	81.6	Confident	4 Å²	4	81.3 Å²	81.3	3%	0.033	44%	0.435	C	S	.	.	H	α-helix	trans	-63	-39.7	177.3	0	0	0	0	0	112.4	S164 L165 Q166 I187	S164-A168 PolarHBondContact O-N 3.09Å; S164-A168 VanDerWaalsContact O-N 3.1Å; L165-A168 VanDerWaalsContact O-CB 3.31Å; L165-A168 WeakPolarHBondContact O-CB 3.15Å; L165-A168 PolarHBondContact O-N 3.31Å; L165-A168 VanDerWaalsContact O-N 3.11Å; Q166-A168 VanDerWaalsContact C-N 3.31Å; Q166-A168 PolarHBondContact O-N 3.01Å; A168-I187 HydrophobicContact CB-CG1 3.74Å
169	L	88.4	Confident	81	Confident	79 Å²	79	88.1 Å²	88.1	41%	0.414	47%	0.466	S	S	.	.	H	α-helix	trans	-68.5	-44	177.9	-69.6	166.1	0	0	0	110.9	L165 Q166 K167 E171 I172 E173 I187	L165-L169 HydrophobicContact CD1-CD1 4.38Å; L165-L169 HydrophobicContact CD1-CG 4.49Å; L165-L169 HydrophobicContact CG-CD1 4.19Å; L165-L169 WeakPolarHBondContact O-CG 3.41Å; L165-L169 PolarHBondContact O-N 3.34Å; Q166-L169 PolarHBondContact O-N 3.24Å; K167-L169 VanDerWaalsContact C-N 3.32Å; K167-L169 PolarHBondContact O-N 2.98Å; L169-E171 VanDerWaalsContact C-N 3.3Å; L169-E171 PolarHBondContact O-N 3Å; L169-I172 WeakPolarHBondContact O-CB 3.41Å; L169-I172 PolarHBondContact O-N 3.19Å; L169-E173 PolarHBondContact O-N 3.26Å; L169-E173 VanDerWaalsContact O-N 3.15Å; L169-I187 HydrophobicContact CD2-CD1 3.94Å; L169-I187 HydrophobicContact CD2-CG1 4.42Å; L169-I187 HydrophobicContact CD2-CG2 4.2Å
170	Q	86	Confident	80.8	Confident	107 Å²	107	91.3 Å²	91.3	50%	0.5	46%	0.464	S	S	.	.	H	α-helix	trans	-62.9	-34.5	178.5	-164.1	176.7	17.2	0	0	112.7	Q166 K167 I172 E173 L174	Q166-Q170 PolarHBondContact O-N 3.4Å; K167-Q170 PolarHBondContact O-N 2.84Å; Q170-I172 PolarHBondContact O-N 2.77Å; Q170-E173 PolarHBondContact O-N 3.37Å; Q170-L174 HydrophobicContact CG-CD1 4.01Å; Q170-L174 HydrophobicContact CG-CG 4.5Å; Q170-L174 WeakPolarHBondContact O-CG 3.48Å; Q170-L174 PolarHBondContact O-N 2.92Å; Q170-L174 VanDerWaalsContact O-N 3.07Å
171	E	83.6	Confident	80.5	Confident	84 Å²	84	88 Å²	88	39%	0.393	47%	0.465	S	S	.	.	H	α-helix	trans	-65.6	-20.3	174	-75.4	168.5	-169.2	0	0	113.6	K167 L169 K183	K167-E171 WeakPolarHBondContact CE-OE1 3.37Å; K167-E171 WeakPolarHBondContact O-CG 3.37Å; K167-E171 PolarHBondContact O-N 3.18Å; K167-E171 VanDerWaalsContact O-N 3.09Å; L169-E171 VanDerWaalsContact C-N 3.3Å; L169-E171 PolarHBondContact O-N 3Å; E171-K183 PolarHBondContact O-NZ 2.98Å
172	I	80.6	Confident	80.1	Confident	45 Å²	45	88.4 Å²	88.4	23%	0.231	48%	0.479	C	S	.	.	H	α-helix	trans	-83.6	-43.7	169.7	-67.1	-164.3	0	0	0	110.7	L169 Q170 L174 G175 Y180 K183 I187	L169-I172 WeakPolarHBondContact O-CB 3.41Å; L169-I172 PolarHBondContact O-N 3.19Å; Q170-I172 PolarHBondContact O-N 2.77Å; I172-L174 VanDerWaalsContact C-N 3.28Å; I172-L174 PolarHBondContact O-N 2.92Å; I172-G175 PolarHBondContact O-N 3.02Å; I172-Y180 HydrophobicContact CG2-CE1 4.49Å; I172-K183 HydrophobicContact CD1-CB 3.79Å; I172-K183 HydrophobicContact CG1-CB 3.91Å; I172-K183 HydrophobicContact CG1-CD 3.83Å; I172-I187 HydrophobicContact CD1-CD1 3.16Å; I172-I187 HydrophobicContact CD1-CG1 4.47Å; I172-I187 HydrophobicContact CG1-CD1 3.91Å
173	E	78.9	Confident	79.8	Confident	157 Å²	157	90 Å²	90	73%	0.734	48%	0.48	S	S	*	.	H	α-helix	trans	-60.5	-36.8	-179.1	-69.1	177.3	167.4	0	0	112.7	L169 Q170	L169-E173 PolarHBondContact O-N 3.26Å; L169-E173 VanDerWaalsContact O-N 3.15Å; Q170-E173 PolarHBondContact O-N 3.37Å
174	L	77.3	Confident	79.6	Confident	138 Å²	138	88.5 Å²	88.5	72%	0.723	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-11.4	-179.1	-68	168	0	0	0	114.3	Q170 I172	Q170-L174 HydrophobicContact CG-CD1 4.01Å; Q170-L174 HydrophobicContact CG-CG 4.5Å; Q170-L174 WeakPolarHBondContact O-CG 3.48Å; Q170-L174 PolarHBondContact O-N 2.92Å; Q170-L174 VanDerWaalsContact O-N 3.07Å; I172-L174 VanDerWaalsContact C-N 3.28Å; I172-L174 PolarHBondContact O-N 2.92Å
175	G	67.5	Low	79.4	Confident	15 Å²	15	94.6 Å²	94.6	16%	0.155	49%	0.492	C	S	.	.			trans	-113.8	117.3	-163.7	0	0	0	0	0	115.7	I172 T177	I172-G175 PolarHBondContact O-N 3.02Å; G175-T177 PolarHBondContact O-N 3.29Å
176	H	59	Low	79.1	Confident	185 Å²	185	95.5 Å²	95.5	86%	0.856	50%	0.499	S	S	*	.			trans	-88.9	74.4	163.7	-64.1	-10.6	0	0	0	110.8
177	T	56.4	Low	79.1	Confident	81 Å²	81	91.1 Å²	91.1	50%	0.497	48%	0.479	S	S	.	.			trans	-146.8	145.8	-179.5	50.8	0	0	0	0	115.1	G175 E179 Y180	G175-T177 PolarHBondContact O-N 3.29Å; T177-E179 PolarHBondContact O-N 3.37Å; T177-Y180 WeakPolarHBondContact O-CE2 3.26Å
178	A	64.8	Low	79	Confident	106 Å²	106	91.9 Å²	91.9	88%	0.876	48%	0.484	S	S	*	.	S	Bend	trans	-65.9	2.9	-168.4	0	0	0	0	0	117.3	Y180	A178-Y180 PolarHBondContact O-N 2.95Å
179	E	72.7	Confident	79.1	Confident	152 Å²	152	96.7 Å²	96.7	71%	0.71	51%	0.506	S	S	*	.			trans	-99.7	39.3	-178	-70	-171.4	161.4	0	0	113.4	T177 A181 G182 K183	T177-E179 PolarHBondContact O-N 3.37Å; E179-A181 PolarHBondContact O-N 3.42Å; E179-G182 PolarHBondContact O-N 3.1Å; E179-K183 PolarHBondContact O-N 3.38Å
180	Y	77.8	Confident	79.2	Confident	115 Å²	115	95.6 Å²	95.6	45%	0.451	50%	0.496	S	S	.	.	H	α-helix	trans	-55.7	-37.5	178.9	-75.5	-77.2	0	0	0	113.1	I172 T177 A178 G182 K183 I184	I172-Y180 HydrophobicContact CG2-CE1 4.49Å; T177-Y180 WeakPolarHBondContact O-CE2 3.26Å; A178-Y180 PolarHBondContact O-N 2.95Å; Y180-G182 PolarHBondContact O-N 3.08Å; Y180-K183 PolarHBondContact O-N 2.91Å; Y180-I184 WeakPolarHBondContact O-CB 3.06Å; Y180-I184 WeakPolarHBondContact O-CG1 3.22Å; Y180-I184 PolarHBondContact O-N 3.4Å
181	A	80.2	Confident	79.4	Confident	84 Å²	84	92.3 Å²	92.3	69%	0.694	49%	0.487	S	S	*	.	H	α-helix	trans	-61.1	-42.1	-178.5	0	0	0	0	0	113	E179 R185	E179-A181 PolarHBondContact O-N 3.42Å; A181-R185 PolarHBondContact O-N 2.73Å
182	G	80.9	Confident	79.7	Confident	44 Å²	44	91 Å²	91	45%	0.454	49%	0.485	S	S	.	.	H	α-helix	trans	-66.9	-45.3	177.5	0	0	0	0	0	112	E179 Y180 I184 R185 T186	E179-G182 PolarHBondContact O-N 3.1Å; Y180-G182 PolarHBondContact O-N 3.08Å; G182-I184 PolarHBondContact O-N 3.47Å; G182-R185 WeakPolarHBondContact O-CB 3.37Å; G182-R185 PolarHBondContact O-N 2.82Å; G182-T186 PolarHBondContact O-N 3.25Å; G182-T186 VanDerWaalsContact O-N 3.08Å; G182-T186 PolarHBondContact O-OG1 3.12Å
183	K	83.5	Confident	79.9	Confident	52 Å²	52	93.1 Å²	93.1	23%	0.226	50%	0.496	C	S	.	.	H	α-helix	trans	-63.9	-40.6	178.4	-62.9	-171.1	-178.7	-178	0	112.5	E171 I172 E179 Y180 R185 T186 I187	E171-K183 PolarHBondContact O-NZ 2.98Å; I172-K183 HydrophobicContact CD1-CB 3.79Å; I172-K183 HydrophobicContact CG1-CB 3.91Å; I172-K183 HydrophobicContact CG1-CD 3.83Å; E179-K183 PolarHBondContact O-N 3.38Å; Y180-K183 PolarHBondContact O-N 2.91Å; K183-R185 VanDerWaalsContact C-N 3.33Å; K183-R185 PolarHBondContact O-N 3.2Å; K183-T186 PolarHBondContact O-N 3.47Å; K183-I187 WeakPolarHBondContact O-CG1 3.47Å; K183-I187 PolarHBondContact O-N 3.26Å
184	I	85.4	Confident	80.5	Confident	96 Å²	96	88.9 Å²	88.9	49%	0.492	48%	0.476	S	S	.	.	H	α-helix	trans	-60.1	-43.8	174.9	-71.3	166.5	0	0	0	110.6	Y180 G182 T186 I187 Q188	Y180-I184 WeakPolarHBondContact O-CB 3.06Å; Y180-I184 WeakPolarHBondContact O-CG1 3.22Å; Y180-I184 PolarHBondContact O-N 3.4Å; G182-I184 PolarHBondContact O-N 3.47Å; I184-T186 PolarHBondContact O-N 2.98Å; I184-I187 PolarHBondContact O-N 3.01Å; I184-Q188 WeakPolarHBondContact O-CB 3.5Å; I184-Q188 PolarHBondContact O-N 2.94Å
185	R	86.1	Confident	81.1	Confident	174 Å²	174	89.4 Å²	89.4	66%	0.657	47%	0.468	S	S	*	.	H	α-helix	trans	-61	-45.6	177.5	-167.6	-178.9	-170	164.6	8.2	111.8	A181 G182 K183 I187 Q188 E189	A181-R185 PolarHBondContact O-N 2.73Å; G182-R185 WeakPolarHBondContact O-CB 3.37Å; G182-R185 PolarHBondContact O-N 2.82Å; K183-R185 VanDerWaalsContact C-N 3.33Å; K183-R185 PolarHBondContact O-N 3.2Å; R185-I187 VanDerWaalsContact C-N 3.34Å; R185-I187 PolarHBondContact O-N 3.31Å; R185-Q188 PolarHBondContact O-N 3.38Å; R185-E189 IonicContact NE-OE1 3.42Å; R185-E189 WeakPolarHBondContact O-CG 3.26Å; R185-E189 PolarHBondContact O-N 2.88Å
186	T	85.8	Confident	81.9	Confident	48 Å²	48	93.1 Å²	93.1	29%	0.294	48%	0.484	S	S	.	.	H	α-helix	trans	-61.6	-39.9	176.4	-57.7	0	0	0	0	112.4	G182 K183 I184 R190	G182-T186 PolarHBondContact O-N 3.25Å; G182-T186 VanDerWaalsContact O-N 3.08Å; G182-T186 PolarHBondContact O-OG1 3.12Å; K183-T186 PolarHBondContact O-N 3.47Å; I184-T186 PolarHBondContact O-N 2.98Å; T186-R190 HydrophobicContact CG2-CG 4.5Å; T186-R190 WeakPolarHBondContact O-CB 3.12Å; T186-R190 VanDerWaalsContact O-CG 3.26Å; T186-R190 WeakPolarHBondContact O-CG 3.43Å; T186-R190 PolarHBondContact O-N 3.44Å
187	I	89.8	Confident	83.1	Confident	32 Å²	32	84.8 Å²	84.8	16%	0.164	45%	0.446	C	S	.	.	H	α-helix	trans	-63.5	-45.4	174.3	-72	166.6	0	0	0	110.8	L165 A168 L169 I172 K183 I184 R185 E189 R190 A191	L165-I187 HydrophobicContact CD1-CG2 4.09Å; A168-I187 HydrophobicContact CB-CG1 3.74Å; L169-I187 HydrophobicContact CD2-CD1 3.94Å; L169-I187 HydrophobicContact CD2-CG1 4.42Å; L169-I187 HydrophobicContact CD2-CG2 4.2Å; I172-I187 HydrophobicContact CD1-CD1 3.16Å; I172-I187 HydrophobicContact CD1-CG1 4.47Å; I172-I187 HydrophobicContact CG1-CD1 3.91Å; K183-I187 WeakPolarHBondContact O-CG1 3.47Å; K183-I187 PolarHBondContact O-N 3.26Å; I184-I187 PolarHBondContact O-N 3.01Å; R185-I187 VanDerWaalsContact C-N 3.34Å; R185-I187 PolarHBondContact O-N 3.31Å; I187-E189 VanDerWaalsContact C-N 3.33Å; I187-E189 PolarHBondContact O-N 3.49Å; I187-R190 PolarHBondContact O-N 3.06Å; I187-A191 WeakPolarHBondContact O-CB 3.44Å; I187-A191 PolarHBondContact O-N 2.97Å
188	Q	87.6	Confident	84.5	Confident	132 Å²	132	82.2 Å²	82.2	62%	0.617	43%	0.43	S	S	*	.	H	α-helix	trans	-62.4	-40.4	-179.8	-171.3	174.2	-5.6	0	0	112	I184 R185 T192	I184-Q188 WeakPolarHBondContact O-CB 3.5Å; I184-Q188 PolarHBondContact O-N 2.94Å; R185-Q188 PolarHBondContact O-N 3.38Å; Q188-T192 WeakPolarHBondContact O-CB 3.5Å; Q188-T192 PolarHBondContact O-N 2.81Å; Q188-T192 PolarHBondContact O-OG1 3.35Å
189	E	89.4	Confident	85.3	Confident	105 Å²	105	80.8 Å²	80.8	49%	0.491	41%	0.408	S	S	.	.	H	α-helix	trans	-62.4	-49.5	173.8	-72.8	169.7	-174.6	0	0	111.5	R185 I187 A191 T192 L193	R185-E189 IonicContact NE-OE1 3.42Å; R185-E189 WeakPolarHBondContact O-CG 3.26Å; R185-E189 PolarHBondContact O-N 2.88Å; I187-E189 VanDerWaalsContact C-N 3.33Å; I187-E189 PolarHBondContact O-N 3.49Å; E189-A191 PolarHBondContact O-N 3.43Å; E189-T192 PolarHBondContact O-N 2.95Å; E189-L193 WeakPolarHBondContact O-CG 3.22Å; E189-L193 PolarHBondContact O-N 3.07Å
190	R	89.1	Confident	85.6	Confident	56 Å²	56	74.8 Å²	74.8	21%	0.211	38%	0.384	C	S	.	.	H	α-helix	trans	-65.8	-38	179.5	-69.4	175.1	-174.7	-175.5	16.6	112.4	S164 L165 T186 I187 L193 F194	S164-R190 WeakPolarHBondContact O-CD 3.41Å; S164-R190 PolarHBondContact O-NH1 3.02Å; S164-R190 WeakPolarHBondContact OG-CD 3.47Å; S164-R190 PolarHBondContact OG-NE 3.49Å; L165-R190 HydrophobicContact CB-CB 4.34Å; L165-R190 HydrophobicContact CD1-CB 4.15Å; T186-R190 HydrophobicContact CG2-CG 4.5Å; T186-R190 WeakPolarHBondContact O-CB 3.12Å; T186-R190 VanDerWaalsContact O-CG 3.26Å; T186-R190 WeakPolarHBondContact O-CG 3.43Å; T186-R190 PolarHBondContact O-N 3.44Å; I187-R190 PolarHBondContact O-N 3.06Å; R190-L193 PolarHBondContact O-N 3.4Å; R190-F194 WeakPolarHBondContact O-CB 3.37Å; R190-F194 PolarHBondContact O-N 2.87Å
191	A	90.8	Very high	85.8	Confident	37 Å²	37	72 Å²	72	31%	0.306	38%	0.376	S	S	.	.	H	α-helix	trans	-65.7	-39.6	174.9	0	0	0	0	0	111.5	L165 I187 E189 F194 R195	L165-A191 HydrophobicContact CD1-CB 4.04Å; L165-A191 HydrophobicContact CD2-CB 4.36Å; I187-A191 WeakPolarHBondContact O-CB 3.44Å; I187-A191 PolarHBondContact O-N 2.97Å; E189-A191 PolarHBondContact O-N 3.43Å; A191-F194 PolarHBondContact O-N 3.36Å; A191-R195 WeakPolarHBondContact O-CB 3.46Å; A191-R195 PolarHBondContact O-N 2.97Å
192	T	89.5	Confident	85.9	Confident	58 Å²	58	72.6 Å²	72.6	36%	0.356	37%	0.366	S	S	.	.	H	α-helix	trans	-63.6	-45.7	176	-59.7	0	0	0	0	111.2	Q188 E189 R195 I196	Q188-T192 WeakPolarHBondContact O-CB 3.5Å; Q188-T192 PolarHBondContact O-N 2.81Å; Q188-T192 PolarHBondContact O-OG1 3.35Å; E189-T192 PolarHBondContact O-N 2.95Å; T192-R195 PolarHBondContact O-N 3.18Å; T192-I196 HydrophobicContact CG2-CD1 3.97Å; T192-I196 VanDerWaalsContact O-CG1 3.31Å; T192-I196 WeakPolarHBondContact O-CG1 3.44Å; T192-I196 PolarHBondContact O-N 3.32Å
193	L	85.9	Confident	85.7	Confident	88 Å²	88	75.3 Å²	75.3	46%	0.461	37%	0.37	S	S	.	.	H	α-helix	trans	-61	-46.7	175.8	-72.4	173.9	0	0	0	112	H161 E189 R190 R195 I196 T197	H161-L193 PolarHBondContact ND1-O 2.91Å; E189-L193 WeakPolarHBondContact O-CG 3.22Å; E189-L193 PolarHBondContact O-N 3.07Å; R190-L193 PolarHBondContact O-N 3.4Å; L193-R195 PolarHBondContact O-N 2.88Å; L193-I196 PolarHBondContact O-N 3.13Å; L193-T197 PolarHBondContact O-N 2.95Å; L193-T197 PolarHBondContact O-OG1 3.39Å
194	F	91.1	Very high	85.4	Confident	68 Å²	68	73.7 Å²	73.7	30%	0.298	37%	0.365	S	S	.	.	H	α-helix	trans	-57.8	-48.8	176.8	-176.5	-115.5	0	0	0	111.1	A158 H161 G162 L165 R190 A191 I196 T197 T198	A158-F194 WeakPolarHBondContact O-CD2 3.49Å; A158-F194 WeakPolarHBondContact O-CE2 3.26Å; H161-F194 HydrophobicContact CB-CB 4.01Å; H161-F194 HydrophobicContact CB-CD2 3.92Å; H161-F194 HydrophobicContact CB-CG 4.48Å; G162-F194 VanDerWaalsContact N-CD2 3.28Å; L165-F194 HydrophobicContact CD2-CB 4.44Å; L165-F194 HydrophobicContact CD2-CD1 4.27Å; R190-F194 WeakPolarHBondContact O-CB 3.37Å; R190-F194 PolarHBondContact O-N 2.87Å; A191-F194 PolarHBondContact O-N 3.36Å; F194-I196 PolarHBondContact O-N 2.91Å; F194-T197 PolarHBondContact O-N 3.39Å; F194-T197 PolarHBondContact O-OG1 2.89Å; F194-T198 HydrophobicContact CD1-CG2 4.24Å; F194-T198 HydrophobicContact CD2-CG2 3.99Å; F194-T198 HydrophobicContact CE1-CG2 3.89Å; F194-T198 HydrophobicContact CE2-CG2 3.62Å; F194-T198 HydrophobicContact CG-CG2 4.3Å; F194-T198 HydrophobicContact CZ-CG2 3.57Å; F194-T198 WeakPolarHBondContact O-CG2 3.06Å; F194-T198 PolarHBondContact O-N 3.16Å; F194-T198 PolarHBondContact O-OG1 3.12Å
195	R	89.1	Confident	85	Confident	149 Å²	149	71.6 Å²	71.6	56%	0.562	36%	0.359	S	S	*	.	H	α-helix	trans	-58.3	-44.8	177.9	-173.6	-175	70.3	119.7	0.7	113.2	A191 T192 L193 T197 T198 N199	A191-R195 WeakPolarHBondContact O-CB 3.46Å; A191-R195 PolarHBondContact O-N 2.97Å; T192-R195 PolarHBondContact O-N 3.18Å; L193-R195 PolarHBondContact O-N 2.88Å; R195-T197 VanDerWaalsContact C-N 3.31Å; R195-T197 PolarHBondContact O-N 3.19Å; R195-T198 WeakPolarHBondContact CA-OG1 3.15Å; R195-T198 PolarHBondContact O-OG1 3.32Å; R195-N199 VanDerWaalsContact O-CB 3.31Å; R195-N199 WeakPolarHBondContact O-CB 3.14Å; R195-N199 VanDerWaalsContact O-CG 3.26Å; R195-N199 PolarHBondContact O-N 2.98Å; R195-N199 PolarHBondContact O-ND2 3.17Å
196	I	84.2	Confident	84.5	Confident	94 Å²	94	68 Å²	68	48%	0.482	35%	0.352	S	S	.	.	H	α-helix	trans	-60.9	-45.5	177.7	-69.6	166.7	0	0	0	109.7	T192 L193 F194 A200	T192-I196 HydrophobicContact CG2-CD1 3.97Å; T192-I196 VanDerWaalsContact O-CG1 3.31Å; T192-I196 WeakPolarHBondContact O-CG1 3.44Å; T192-I196 PolarHBondContact O-N 3.32Å; L193-I196 PolarHBondContact O-N 3.13Å; F194-I196 PolarHBondContact O-N 2.91Å; I196-A200 WeakPolarHBondContact O-CB 3.49Å; I196-A200 PolarHBondContact O-N 3.24Å
197	T	84.5	Confident	83.9	Confident	10 Å²	10	69.3 Å²	69.3	6%	0.061	36%	0.357	C	S	.	.	H	α-helix	trans	-72.3	-37.5	-177.6	49.5	0	0	0	0	114.5	L157 H161 L193 F194 R195 A200 M201	L157-T197 HydrophobicContact CD2-CG2 3.46Å; L157-T197 VanDerWaalsContact CD2-CG2 3.46Å; L157-T197 HydrophobicContact CG-CG2 3.82Å; H161-T197 WeakPolarHBondContact CE1-CG2 3.14Å; H161-T197 WeakPolarHBondContact ND1-CG2 3.41Å; H161-T197 PolarHBondContact ND1-OG1 2.89Å; L193-T197 PolarHBondContact O-N 2.95Å; L193-T197 PolarHBondContact O-OG1 3.39Å; F194-T197 PolarHBondContact O-N 3.39Å; F194-T197 PolarHBondContact O-OG1 2.89Å; R195-T197 VanDerWaalsContact C-N 3.31Å; R195-T197 PolarHBondContact O-N 3.19Å; T197-A200 PolarHBondContact O-N 3.39Å; T197-M201 WeakPolarHBondContact O-CB 3.11Å; T197-M201 PolarHBondContact O-N 2.95Å
198	T	87.2	Confident	83	Confident	27 Å²	27	68.9 Å²	68.9	17%	0.166	36%	0.356	C	S	.	.	H	α-helix	trans	-68.5	-39.9	175.5	51	0	0	0	0	111.1	A158 F194 R195 A200 M201 I202	A158-T198 HydrophobicContact CB-CG2 4.28Å; F194-T198 HydrophobicContact CD1-CG2 4.24Å; F194-T198 HydrophobicContact CD2-CG2 3.99Å; F194-T198 HydrophobicContact CE1-CG2 3.89Å; F194-T198 HydrophobicContact CE2-CG2 3.62Å; F194-T198 HydrophobicContact CG-CG2 4.3Å; F194-T198 HydrophobicContact CZ-CG2 3.57Å; F194-T198 WeakPolarHBondContact O-CG2 3.06Å; F194-T198 PolarHBondContact O-N 3.16Å; F194-T198 PolarHBondContact O-OG1 3.12Å; R195-T198 WeakPolarHBondContact CA-OG1 3.15Å; R195-T198 PolarHBondContact O-OG1 3.32Å; T198-A200 PolarHBondContact O-N 3.06Å; T198-M201 WeakPolarHBondContact O-CB 3.47Å; T198-M201 PolarHBondContact O-N 2.84Å; T198-I202 WeakPolarHBondContact O-CB 3.37Å; T198-I202 VanDerWaalsContact O-CG1 3.25Å; T198-I202 WeakPolarHBondContact O-CG1 3.23Å; T198-I202 PolarHBondContact O-N 3.34Å
199	N	81.4	Confident	82.4	Confident	76 Å²	76	67.6 Å²	67.6	41%	0.406	35%	0.353	S	S	.	.	H	α-helix	trans	-61.6	-43.7	173.2	-76.9	-15.7	0	0	0	112	R195 M201 I202 N203	R195-N199 VanDerWaalsContact O-CB 3.31Å; R195-N199 WeakPolarHBondContact O-CB 3.14Å; R195-N199 VanDerWaalsContact O-CG 3.26Å; R195-N199 PolarHBondContact O-N 2.98Å; R195-N199 PolarHBondContact O-ND2 3.17Å; N199-M201 VanDerWaalsContact C-N 3.35Å; N199-M201 PolarHBondContact O-N 2.83Å; N199-I202 PolarHBondContact O-N 3.48Å; N199-N203 WeakPolarHBondContact O-CB 3.41Å; N199-N203 VanDerWaalsContact O-CG 3.3Å; N199-N203 PolarHBondContact O-N 2.86Å; N199-N203 PolarHBondContact O-ND2 3.27Å
200	A	78.5	Confident	81.7	Confident	26 Å²	26	67 Å²	67	22%	0.215	35%	0.353	C	S	.	.	H	α-helix	trans	-60.4	-44.4	174.1	0	0	0	0	0	111.7	Y154 I196 T197 T198 N203 V204	Y154-A200 HydrophobicContact CD1-CB 3.92Å; Y154-A200 HydrophobicContact CE1-CB 3.8Å; Y154-A200 HydrophobicContact CG-CB 4.39Å; I196-A200 WeakPolarHBondContact O-CB 3.49Å; I196-A200 PolarHBondContact O-N 3.24Å; T197-A200 PolarHBondContact O-N 3.39Å; T198-A200 PolarHBondContact O-N 3.06Å; A200-N203 PolarHBondContact O-N 3.2Å; A200-V204 WeakPolarHBondContact O-CG2 3.47Å; A200-V204 PolarHBondContact O-N 3.45Å
201	M	82.2	Confident	80.7	Confident	57 Å²	57	66.2 Å²	66.2	28%	0.281	35%	0.353	S	S	.	.	H	α-helix	trans	-61.8	-44.5	176.7	-173.2	-172.6	72.7	0	0	112.5	A158 T197 T198 N199 V204 S205	A158-M201 HydrophobicContact CB-SD 4.14Å; T197-M201 WeakPolarHBondContact O-CB 3.11Å; T197-M201 PolarHBondContact O-N 2.95Å; T198-M201 WeakPolarHBondContact O-CB 3.47Å; T198-M201 PolarHBondContact O-N 2.84Å; N199-M201 VanDerWaalsContact C-N 3.35Å; N199-M201 PolarHBondContact O-N 2.83Å; M201-V204 PolarHBondContact O-N 2.9Å; M201-S205 WeakPolarHBondContact O-CB 3.31Å; M201-S205 PolarHBondContact O-N 3.29Å; M201-S205 PolarHBondContact O-OG 2.98Å
202	I	82.7	Confident	79.6	Confident	96 Å²	96	70.1 Å²	70.1	49%	0.492	37%	0.368	S	S	.	.	H	α-helix	trans	-61.1	-46	177.8	-71	164.1	0	0	0	110.1	T198 N199 V204 S205 L206	T198-I202 WeakPolarHBondContact O-CB 3.37Å; T198-I202 VanDerWaalsContact O-CG1 3.25Å; T198-I202 WeakPolarHBondContact O-CG1 3.23Å; T198-I202 PolarHBondContact O-N 3.34Å; N199-I202 PolarHBondContact O-N 3.48Å; I202-V204 PolarHBondContact O-N 3Å; I202-S205 PolarHBondContact O-N 3.01Å; I202-L206 WeakPolarHBondContact O-CB 3.1Å; I202-L206 PolarHBondContact O-N 3.42Å
203	N	77.1	Confident	78.9	Confident	100 Å²	100	70.5 Å²	70.5	54%	0.535	37%	0.37	S	S	.	.	H	α-helix	trans	-62	-44.4	178.3	-72.8	-20.7	0	0	0	111.9	N199 A200 S205 L206 L207	N199-N203 WeakPolarHBondContact O-CB 3.41Å; N199-N203 VanDerWaalsContact O-CG 3.3Å; N199-N203 PolarHBondContact O-N 2.86Å; N199-N203 PolarHBondContact O-ND2 3.27Å; A200-N203 PolarHBondContact O-N 3.2Å; N203-S205 VanDerWaalsContact C-N 3.35Å; N203-L206 PolarHBondContact O-N 3.44Å; N203-L207 VanDerWaalsContact O-CG 3.31Å; N203-L207 WeakPolarHBondContact O-CG 3.41Å; N203-L207 PolarHBondContact O-N 3.21Å
204	V	77	Confident	78.2	Confident	18 Å²	18	69.7 Å²	69.7	11%	0.109	37%	0.369	C	S	.	.	H	α-helix	trans	-66	-37.9	176.2	173.3	0	0	0	0	111.7	A151 Y154 A200 M201 I202 L207 C208	A151-V204 HydrophobicContact CB-CG1 3.57Å; Y154-V204 HydrophobicContact CD2-CB 4.39Å; Y154-V204 HydrophobicContact CD2-CG2 3.76Å; Y154-V204 HydrophobicContact CE2-CG2 3.73Å; A200-V204 WeakPolarHBondContact O-CG2 3.47Å; A200-V204 PolarHBondContact O-N 3.45Å; M201-V204 PolarHBondContact O-N 2.9Å; I202-V204 PolarHBondContact O-N 3Å; V204-L207 PolarHBondContact O-N 2.98Å; V204-C208 PolarHBondContact O-N 3.48Å; V204-C208 PolarHBondContact O-SG 2.78Å
205	S	75.6	Confident	77.2	Confident	53 Å²	53	68.6 Å²	68.6	37%	0.371	37%	0.365	S	S	.	.	H	α-helix	trans	-65.4	-42.1	177.3	-57.9	0	0	0	0	111.6	M201 I202 N203 L207 C208 L209	M201-S205 WeakPolarHBondContact O-CB 3.31Å; M201-S205 PolarHBondContact O-N 3.29Å; M201-S205 PolarHBondContact O-OG 2.98Å; I202-S205 PolarHBondContact O-N 3.01Å; N203-S205 VanDerWaalsContact C-N 3.35Å; S205-L207 VanDerWaalsContact C-N 3.33Å; S205-L207 PolarHBondContact O-N 3.15Å; S205-C208 PolarHBondContact O-N 2.65Å; S205-L209 WeakPolarHBondContact O-CG 3.41Å; S205-L209 PolarHBondContact O-N 3.24Å
206	L	76.7	Confident	76.4	Confident	99 Å²	99	64.5 Å²	64.5	52%	0.518	36%	0.359	S	S	.	.	H	α-helix	trans	-61.4	-42.8	173.9	-179.9	62.7	0	0	0	111.3	I202 N203 L209 L210	I202-L206 WeakPolarHBondContact O-CB 3.1Å; I202-L206 PolarHBondContact O-N 3.42Å; N203-L206 PolarHBondContact O-N 3.44Å; L206-L209 PolarHBondContact O-N 2.89Å; L206-L210 HydrophobicContact CG-CD1 4.31Å; L206-L210 WeakPolarHBondContact O-CG 3.41Å; L206-L210 PolarHBondContact O-N 2.85Å
207	L	72	Confident	75.9	Confident	74 Å²	74	67 Å²	67	39%	0.387	36%	0.362	S	S	.	.	H	α-helix	trans	-63.8	-42.1	174.9	-70.6	171.3	0	0	0	112	N203 V204 S205 L209 L210 L211	N203-L207 VanDerWaalsContact O-CG 3.31Å; N203-L207 WeakPolarHBondContact O-CG 3.41Å; N203-L207 PolarHBondContact O-N 3.21Å; V204-L207 PolarHBondContact O-N 2.98Å; S205-L207 VanDerWaalsContact C-N 3.33Å; S205-L207 PolarHBondContact O-N 3.15Å; L207-L209 VanDerWaalsContact C-N 3.35Å; L207-L210 PolarHBondContact O-N 3.32Å; L207-L211 WeakPolarHBondContact O-CB 3.49Å; L207-L211 WeakPolarHBondContact O-CG 3.36Å; L207-L211 PolarHBondContact O-N 3.41Å
208	C	72.1	Confident	75.4	Confident	23 Å²	23	71.6 Å²	71.6	16%	0.155	38%	0.381	C	S	.	.	H	α-helix	trans	-60.2	-44.1	173.7	-79.2	0	0	0	0	111.3	V204 S205 L210 L211 L212	V204-C208 PolarHBondContact O-N 3.48Å; V204-C208 PolarHBondContact O-SG 2.78Å; S205-C208 PolarHBondContact O-N 2.65Å; C208-L210 PolarHBondContact O-N 3.08Å; C208-L211 PolarHBondContact O-N 3.36Å; C208-L212 WeakPolarHBondContact O-CB 3.36Å; C208-L212 VanDerWaalsContact O-CG 3.22Å; C208-L212 WeakPolarHBondContact O-CG 3.34Å; C208-L212 PolarHBondContact O-N 3.28Å
209	L	74.3	Confident	74.4	Confident	106 Å²	106	78.9 Å²	78.9	56%	0.555	41%	0.406	S	S	*	.	H	α-helix	trans	-63.4	-41.4	176.5	-74.1	163.8	0	0	0	112.1	S205 L206 L207 L212 T213	S205-L209 WeakPolarHBondContact O-CG 3.41Å; S205-L209 PolarHBondContact O-N 3.24Å; L206-L209 PolarHBondContact O-N 2.89Å; L207-L209 VanDerWaalsContact C-N 3.35Å; L209-L212 PolarHBondContact O-N 3.25Å; L209-T213 WeakPolarHBondContact O-CB 3.44Å; L209-T213 VanDerWaalsContact O-CG2 3.28Å; L209-T213 WeakPolarHBondContact O-CG2 3.41Å; L209-T213 PolarHBondContact O-N 2.64Å; L209-T213 PolarHBondContact O-OG1 3.4Å
210	L	73.7	Confident	74.2	Confident	91 Å²	91	80 Å²	80	48%	0.476	41%	0.411	S	S	.	.	H	α-helix	trans	-63.3	-42.1	174.1	-73.3	169.1	0	0	0	111.7	L206 L207 C208 T213 T214	L206-L210 HydrophobicContact CG-CD1 4.31Å; L206-L210 WeakPolarHBondContact O-CG 3.41Å; L206-L210 PolarHBondContact O-N 2.85Å; L207-L210 PolarHBondContact O-N 3.32Å; C208-L210 PolarHBondContact O-N 3.08Å; L210-T213 WeakPolarHBondContact CA-OG1 3.46Å; L210-T213 PolarHBondContact O-OG1 3.14Å; L210-T213 VanDerWaalsContact O-OG1 3.04Å; L210-T214 VanDerWaalsContact O-CB 3.32Å; L210-T214 WeakPolarHBondContact O-CB 3.42Å; L210-T214 VanDerWaalsContact O-CG2 3.25Å; L210-T214 WeakPolarHBondContact O-CG2 3.2Å; L210-T214 PolarHBondContact O-N 2.83Å; L210-T214 PolarHBondContact O-OG1 3.35Å
211	L	68.7	Low	74.1	Confident	41 Å²	41	86.7 Å²	86.7	22%	0.215	43%	0.431	C	S	.	.	H	α-helix	trans	-62	-49.4	174.1	-81	160.2	0	0	0	111.2	E144 L207 C208 T213 T214 Q215	E144-L211 HydrophobicContact CG-CD2 3.83Å; E144-L211 WeakPolarHBondContact OE1-CD2 3.38Å; L207-L211 WeakPolarHBondContact O-CB 3.49Å; L207-L211 WeakPolarHBondContact O-CG 3.36Å; L207-L211 PolarHBondContact O-N 3.41Å; C208-L211 PolarHBondContact O-N 3.36Å; L211-T213 PolarHBondContact O-N 3.45Å; L211-T214 WeakPolarHBondContact CA-OG1 3.41Å; L211-T214 PolarHBondContact O-N 2.72Å; L211-T214 PolarHBondContact O-OG1 2.77Å; L211-T214 VanDerWaalsContact O-OG1 3.1Å; L211-Q215 HydrophobicContact CD2-CG 4.49Å; L211-Q215 WeakPolarHBondContact O-CB 3.46Å; L211-Q215 WeakPolarHBondContact O-CG 3.42Å; L211-Q215 PolarHBondContact O-N 2.86Å
212	L	68.1	Low	73.5	Confident	118 Å²	118	88.5 Å²	88.5	62%	0.618	44%	0.442	S	S	*	.	H	α-helix	trans	-60.2	-43.6	178.7	-71.4	168.8	0	0	0	111.7	C208 L209 S216	C208-L212 WeakPolarHBondContact O-CB 3.36Å; C208-L212 VanDerWaalsContact O-CG 3.22Å; C208-L212 WeakPolarHBondContact O-CG 3.34Å; C208-L212 PolarHBondContact O-N 3.28Å; L209-L212 PolarHBondContact O-N 3.25Å; L212-S216 WeakPolarHBondContact O-CB 3.46Å; L212-S216 PolarHBondContact O-N 3.12Å; L212-S216 PolarHBondContact O-OG 2.93Å
213	T	73.8	Confident	73.2	Confident	66 Å²	66	89.6 Å²	89.6	41%	0.405	45%	0.448	S	S	.	.	H	α-helix	trans	-72.1	-33.5	179.7	53.7	0	0	0	0	113.5	L209 L210 L211 S216 R217	L209-T213 WeakPolarHBondContact O-CB 3.44Å; L209-T213 VanDerWaalsContact O-CG2 3.28Å; L209-T213 WeakPolarHBondContact O-CG2 3.41Å; L209-T213 PolarHBondContact O-N 2.64Å; L209-T213 PolarHBondContact O-OG1 3.4Å; L210-T213 WeakPolarHBondContact CA-OG1 3.46Å; L210-T213 PolarHBondContact O-OG1 3.14Å; L210-T213 VanDerWaalsContact O-OG1 3.04Å; L211-T213 PolarHBondContact O-N 3.45Å; T213-S216 PolarHBondContact O-OG 3.34Å; T213-R217 VanDerWaalsContact O-CZ 3.31Å; T213-R217 PolarHBondContact O-NH1 3.18Å; T213-R217 PolarHBondContact O-NH2 3.41Å
214	T	71.5	Confident	73.4	Confident	72 Å²	72	90.4 Å²	90.4	44%	0.442	45%	0.448	S	S	.	.	H	α-helix	trans	-78.5	-44.4	177.3	51.8	0	0	0	0	112	L210 L211	L210-T214 VanDerWaalsContact O-CB 3.32Å; L210-T214 WeakPolarHBondContact O-CB 3.42Å; L210-T214 VanDerWaalsContact O-CG2 3.25Å; L210-T214 WeakPolarHBondContact O-CG2 3.2Å; L210-T214 PolarHBondContact O-N 2.83Å; L210-T214 PolarHBondContact O-OG1 3.35Å; L211-T214 WeakPolarHBondContact CA-OG1 3.41Å; L211-T214 PolarHBondContact O-N 2.72Å; L211-T214 PolarHBondContact O-OG1 2.77Å; L211-T214 VanDerWaalsContact O-OG1 3.1Å
215	Q	71.3	Confident	73.4	Confident	45 Å²	45	94.5 Å²	94.5	21%	0.21	47%	0.466	C	S	.	.	H	α-helix	trans	-74.3	-40.8	-177	-62.4	-70.4	17	0	0	111.3	E144 L211 R217 K218 W219	E144-Q215 PolarHBondContact OE2-NE2 3.47Å; L211-Q215 HydrophobicContact CD2-CG 4.49Å; L211-Q215 WeakPolarHBondContact O-CB 3.46Å; L211-Q215 WeakPolarHBondContact O-CG 3.42Å; L211-Q215 PolarHBondContact O-N 2.86Å; Q215-R217 VanDerWaalsContact C-N 3.28Å; Q215-R217 PolarHBondContact O-N 3.49Å; Q215-R217 VanDerWaalsContact O-N 3.15Å; Q215-K218 CarbonylContact O-C 3.56Å; Q215-K218 WeakPolarHBondContact O-CA 3.45Å; Q215-K218 VanDerWaalsContact O-CB 3.29Å; Q215-K218 WeakPolarHBondContact O-CB 3.25Å; Q215-K218 PolarHBondContact O-N 3.33Å; Q215-W219 PolarHBondContact O-N 2.76Å
216	S	72.5	Confident	73.2	Confident	63 Å²	63	96.5 Å²	96.5	44%	0.441	47%	0.469	S	S	.	.	H	α-helix	trans	-50.6	-44.5	-179.2	53.2	0	0	0	0	113.6	L212 T213 K218 W219 L220	L212-S216 WeakPolarHBondContact O-CB 3.46Å; L212-S216 PolarHBondContact O-N 3.12Å; L212-S216 PolarHBondContact O-OG 2.93Å; T213-S216 PolarHBondContact O-OG 3.34Å; S216-K218 VanDerWaalsContact C-N 3.29Å; S216-K218 PolarHBondContact O-N 2.95Å; S216-W219 PolarHBondContact O-N 3.05Å; S216-L220 WeakPolarHBondContact O-CB 3.41Å; S216-L220 PolarHBondContact O-N 3.44Å
217	R	73.1	Confident	73.1	Confident	146 Å²	146	97.3 Å²	97.3	55%	0.551	47%	0.47	S	S	*	.	H	α-helix	trans	-66.7	-27.4	176.1	-69	-169.5	-68	-95.6	-0.6	113.8	T213 Q215 R221	T213-R217 VanDerWaalsContact O-CZ 3.31Å; T213-R217 PolarHBondContact O-NH1 3.18Å; T213-R217 PolarHBondContact O-NH2 3.41Å; Q215-R217 VanDerWaalsContact C-N 3.28Å; Q215-R217 PolarHBondContact O-N 3.49Å; Q215-R217 VanDerWaalsContact O-N 3.15Å; R217-R221 WeakPolarHBondContact O-CG 3.33Å; R217-R221 PolarHBondContact O-N 2.87Å; R217-R221 PolarHBondContact O-NE 2.94Å
218	K	72.8	Confident	73.7	Confident	106 Å²	106	100.8 Å²	100.8	46%	0.461	48%	0.482	S	S	.	.	H	α-helix	trans	-76.9	-47.4	175.1	-174.7	-172.4	177	-172.4	0	110	Q215 S216 L220 R221 L222	Q215-K218 CarbonylContact O-C 3.56Å; Q215-K218 WeakPolarHBondContact O-CA 3.45Å; Q215-K218 VanDerWaalsContact O-CB 3.29Å; Q215-K218 WeakPolarHBondContact O-CB 3.25Å; Q215-K218 PolarHBondContact O-N 3.33Å; S216-K218 VanDerWaalsContact C-N 3.29Å; S216-K218 PolarHBondContact O-N 2.95Å; K218-L220 VanDerWaalsContact C-N 3.35Å; K218-L220 PolarHBondContact O-N 2.84Å; K218-R221 PolarHBondContact O-N 2.97Å; K218-L222 HydrophobicContact CG-CD1 4.14Å; K218-L222 WeakPolarHBondContact O-CG 3.16Å; K218-L222 PolarHBondContact O-N 3.03Å
219	W	67.6	Low	73.8	Confident	181 Å²	181	103.5 Å²	103.5	69%	0.686	49%	0.493	S	S	*	.	H	α-helix	trans	-58.3	-44.7	175.8	-76.6	95	0	0	0	111.7	Q215 S216 R221 L222 L223	Q215-W219 PolarHBondContact O-N 2.76Å; S216-W219 PolarHBondContact O-N 3.05Å; W219-R221 VanDerWaalsContact C-N 3.33Å; W219-R221 PolarHBondContact O-N 3.38Å; W219-L222 PolarHBondContact O-N 3.34Å; W219-L223 VanDerWaalsContact O-CB 3.28Å; W219-L223 WeakPolarHBondContact O-CB 3.38Å; W219-L223 PolarHBondContact O-N 3.42Å
220	L	77.5	Confident	73.7	Confident	98 Å²	98	106.5 Å²	106.5	51%	0.513	50%	0.497	S	S	.	.	H	α-helix	trans	-59.3	-43.5	176.2	-174.9	64.8	0	0	0	112.2	S216 K218 L223 Q224	S216-L220 WeakPolarHBondContact O-CB 3.41Å; S216-L220 PolarHBondContact O-N 3.44Å; K218-L220 VanDerWaalsContact C-N 3.35Å; K218-L220 PolarHBondContact O-N 2.84Å; L220-L223 PolarHBondContact O-N 2.98Å; L220-Q224 WeakPolarHBondContact O-CB 3.34Å; L220-Q224 VanDerWaalsContact O-CG 3.26Å; L220-Q224 WeakPolarHBondContact O-CG 3.38Å; L220-Q224 PolarHBondContact O-N 3.49Å
221	R	75.4	Confident	74.1	Confident	167 Å²	167	105.9 Å²	105.9	63%	0.63	49%	0.493	S	S	*	.	H	α-helix	trans	-66.8	-40.6	177.5	-79.2	-176	-83.6	172.2	-8.9	112.6	R217 K218 W219 H225	R217-R221 WeakPolarHBondContact O-CG 3.33Å; R217-R221 PolarHBondContact O-N 2.87Å; R217-R221 PolarHBondContact O-NE 2.94Å; K218-R221 PolarHBondContact O-N 2.97Å; W219-R221 VanDerWaalsContact C-N 3.33Å; W219-R221 PolarHBondContact O-N 3.38Å; R221-H225 WeakPolarHBondContact O-CB 3.47Å; R221-H225 PolarHBondContact O-N 2.98Å
222	L	70.9	Confident	74.9	Confident	96 Å²	96	106.6 Å²	106.6	50%	0.503	50%	0.5	S	S	.	.	H	α-helix	trans	-65.8	-43.6	176.1	-72.3	172.1	0	0	0	111.1	K218 W219 H225 E226	K218-L222 HydrophobicContact CG-CD1 4.14Å; K218-L222 WeakPolarHBondContact O-CG 3.16Å; K218-L222 PolarHBondContact O-N 3.03Å; W219-L222 PolarHBondContact O-N 3.34Å; L222-H225 PolarHBondContact O-N 3.01Å; L222-E226 WeakPolarHBondContact O-CB 3.46Å; L222-E226 PolarHBondContact O-N 3.02Å
223	L	74.6	Confident	75.2	Confident	118 Å²	118	105.8 Å²	105.8	62%	0.618	50%	0.495	S	S	*	.	H	α-helix	trans	-62.2	-45.1	177	-173.7	69.3	0	0	0	111.5	W219 L220 H225 E226 H227	W219-L223 VanDerWaalsContact O-CB 3.28Å; W219-L223 WeakPolarHBondContact O-CB 3.38Å; W219-L223 PolarHBondContact O-N 3.42Å; L220-L223 PolarHBondContact O-N 2.98Å; L223-H225 VanDerWaalsContact C-N 3.34Å; L223-H225 PolarHBondContact O-N 2.88Å; L223-E226 PolarHBondContact O-N 3.49Å; L223-H227 VanDerWaalsContact O-CB 3.31Å; L223-H227 WeakPolarHBondContact O-CB 3.46Å; L223-H227 PolarHBondContact O-N 2.96Å
224	Q	80.9	Confident	75.3	Confident	117 Å²	117	107 Å²	107	55%	0.547	50%	0.496	S	S	.	.	H	α-helix	trans	-62.2	-40.6	175	-76	175	-21.4	0	0	112.4	L220 K228	L220-Q224 WeakPolarHBondContact O-CB 3.34Å; L220-Q224 VanDerWaalsContact O-CG 3.26Å; L220-Q224 WeakPolarHBondContact O-CG 3.38Å; L220-Q224 PolarHBondContact O-N 3.49Å; Q224-K228 WeakPolarHBondContact O-CB 3.49Å; Q224-K228 PolarHBondContact O-N 3.4Å
225	H	77.7	Confident	75.7	Confident	105 Å²	105	109.7 Å²	109.7	49%	0.486	50%	0.504	S	S	.	.	H	α-helix	trans	-65	-46.5	176	177.5	-82.9	0	0	0	111.7	R221 L222 L223 K228 Q229	R221-H225 WeakPolarHBondContact O-CB 3.47Å; R221-H225 PolarHBondContact O-N 2.98Å; L222-H225 PolarHBondContact O-N 3.01Å; L223-H225 VanDerWaalsContact C-N 3.34Å; L223-H225 PolarHBondContact O-N 2.88Å; H225-K228 PolarHBondContact O-N 2.92Å; H225-Q229 PolarHBondContact CE1-NE2 3.12Å; H225-Q229 PolarHBondContact CE1-OE1 3.4Å; H225-Q229 WeakPolarHBondContact O-CG 3.27Å; H225-Q229 PolarHBondContact O-N 3.38Å
226	E	70.7	Confident	76.2	Confident	94 Å²	94	112.5 Å²	112.5	44%	0.439	52%	0.517	S	S	.	.	H	α-helix	trans	-60.1	-45.8	177	-167.1	72.5	-174.9	0	0	111.1	L222 L223 K228 Q229 R230	L222-E226 WeakPolarHBondContact O-CB 3.46Å; L222-E226 PolarHBondContact O-N 3.02Å; L223-E226 PolarHBondContact O-N 3.49Å; E226-K228 PolarHBondContact O-N 3.25Å; E226-Q229 PolarHBondContact O-N 2.98Å; E226-R230 WeakPolarHBondContact O-CG 3.46Å; E226-R230 PolarHBondContact O-N 2.91Å
227	H	76.5	Confident	76	Confident	116 Å²	116	112.4 Å²	112.4	54%	0.537	51%	0.511	S	S	.	.	H	α-helix	trans	-59.6	-45.3	176.2	-177.7	68.1	0	0	0	111.7	L223 Q229 R230 L231	L223-H227 VanDerWaalsContact O-CB 3.31Å; L223-H227 WeakPolarHBondContact O-CB 3.46Å; L223-H227 PolarHBondContact O-N 2.96Å; H227-Q229 VanDerWaalsContact C-N 3.34Å; H227-Q229 PolarHBondContact O-N 3.18Å; H227-R230 PolarHBondContact O-N 3.36Å; H227-L231 WeakPolarHBondContact O-CG 3.32Å; H227-L231 PolarHBondContact O-N 3.1Å
228	K	83.7	Confident	76.2	Confident	148 Å²	148	109.8 Å²	109.8	64%	0.643	51%	0.505	S	S	*	.	H	α-helix	trans	-63.7	-38.3	175.9	-172.4	172.8	-176.1	171.7	0	112.5	Q224 H225 E226 T232	Q224-K228 WeakPolarHBondContact O-CB 3.49Å; Q224-K228 PolarHBondContact O-N 3.4Å; H225-K228 PolarHBondContact O-N 2.92Å; E226-K228 PolarHBondContact O-N 3.25Å; K228-T232 PolarHBondContact O-N 3.02Å; K228-T232 PolarHBondContact O-OG1 2.92Å
229	Q	74.6	Confident	76.4	Confident	80 Å²	80	110.2 Å²	110.2	37%	0.374	51%	0.509	S	S	.	.	H	α-helix	trans	-65	-43.5	174.5	-76.4	-167.8	-41.3	0	0	111.7	H225 E226 H227 T232 L233	H225-Q229 PolarHBondContact CE1-NE2 3.12Å; H225-Q229 PolarHBondContact CE1-OE1 3.4Å; H225-Q229 WeakPolarHBondContact O-CG 3.27Å; H225-Q229 PolarHBondContact O-N 3.38Å; E226-Q229 PolarHBondContact O-N 2.98Å; H227-Q229 VanDerWaalsContact C-N 3.34Å; H227-Q229 PolarHBondContact O-N 3.18Å; Q229-T232 PolarHBondContact O-N 3.18Å; Q229-L233 WeakPolarHBondContact O-CB 3.34Å; Q229-L233 PolarHBondContact O-N 3.42Å
230	R	72.9	Confident	76.9	Confident	169 Å²	169	106.4 Å²	106.4	64%	0.638	50%	0.501	S	S	*	.	H	α-helix	trans	-58.7	-47.2	175.3	-75.8	-174.5	179.3	-163.3	0.4	111.8	E226 H227 T232 L233 E234	E226-R230 WeakPolarHBondContact O-CG 3.46Å; E226-R230 PolarHBondContact O-N 2.91Å; H227-R230 PolarHBondContact O-N 3.36Å; R230-T232 VanDerWaalsContact C-N 3.34Å; R230-T232 PolarHBondContact O-N 3.36Å; R230-L233 WeakPolarHBondContact O-CB 3.38Å; R230-L233 PolarHBondContact O-N 2.72Å; R230-E234 WeakPolarHBondContact O-CB 3.33Å; R230-E234 PolarHBondContact O-N 2.88Å
231	L	82	Confident	76.4	Confident	77 Å²	77	102 Å²	102	40%	0.403	48%	0.479	S	S	.	.	H	α-helix	trans	-59.5	-43.5	175.3	-71.8	170.6	0	0	0	112.1	H227 L233 E234 E235	H227-L231 WeakPolarHBondContact O-CG 3.32Å; H227-L231 PolarHBondContact O-N 3.1Å; L231-L233 PolarHBondContact O-N 3.32Å; L231-E234 PolarHBondContact O-N 3.4Å; L231-E235 WeakPolarHBondContact O-CG 3.29Å; L231-E235 PolarHBondContact O-N 3.32Å
232	T	84.8	Confident	76.3	Confident	57 Å²	57	101.2 Å²	101.2	35%	0.35	48%	0.476	S	S	.	.	H	α-helix	trans	-65.3	-40	178	-51.8	0	0	0	0	111.6	K228 Q229 R230 Q236	K228-T232 PolarHBondContact O-N 3.02Å; K228-T232 PolarHBondContact O-OG1 2.92Å; Q229-T232 PolarHBondContact O-N 3.18Å; R230-T232 VanDerWaalsContact C-N 3.34Å; R230-T232 PolarHBondContact O-N 3.36Å; T232-Q236 WeakPolarHBondContact O-CB 3.48Å; T232-Q236 VanDerWaalsContact O-CG 3.27Å; T232-Q236 WeakPolarHBondContact O-CG 3.47Å; T232-Q236 PolarHBondContact O-N 3.23Å
233	L	75	Confident	76.5	Confident	101 Å²	101	101.8 Å²	101.8	53%	0.529	48%	0.476	S	S	.	.	H	α-helix	trans	-64.4	-43.6	176.4	-92.2	150.3	0	0	0	110.8	Q229 R230 L231 Q236 L237	Q229-L233 WeakPolarHBondContact O-CB 3.34Å; Q229-L233 PolarHBondContact O-N 3.42Å; R230-L233 WeakPolarHBondContact O-CB 3.38Å; R230-L233 PolarHBondContact O-N 2.72Å; L231-L233 PolarHBondContact O-N 3.32Å; L233-Q236 PolarHBondContact O-N 3.44Å; L233-L237 WeakPolarHBondContact O-CB 3.25Å; L233-L237 PolarHBondContact O-N 3.08Å
234	E	75.6	Confident	76.1	Confident	90 Å²	90	98.8 Å²	98.8	42%	0.421	46%	0.459	S	S	.	.	H	α-helix	trans	-59.4	-48.5	176.2	-173	175.5	-175.3	0	0	111.5	R230 L231 Q236 L237 E238	R230-E234 WeakPolarHBondContact O-CB 3.33Å; R230-E234 PolarHBondContact O-N 2.88Å; L231-E234 PolarHBondContact O-N 3.4Å; E234-Q236 VanDerWaalsContact C-N 3.35Å; E234-Q236 PolarHBondContact O-N 3.23Å; E234-L237 PolarHBondContact O-N 3.41Å; E234-E238 WeakPolarHBondContact O-CB 3.46Å; E234-E238 PolarHBondContact O-N 2.86Å
235	E	80.1	Confident	75.7	Confident	130 Å²	130	93.8 Å²	93.8	61%	0.607	44%	0.437	S	S	*	.	H	α-helix	trans	-58.3	-43.8	174	-74.7	177.1	176.8	0	0	112.3	L231 E238 Q239	L231-E235 WeakPolarHBondContact O-CG 3.29Å; L231-E235 PolarHBondContact O-N 3.32Å; E235-E238 PolarHBondContact O-N 2.84Å; E235-Q239 WeakPolarHBondContact O-CB 3.28Å; E235-Q239 PolarHBondContact O-N 2.84Å
236	Q	80.3	Confident	75.5	Confident	103 Å²	103	91 Å²	91	48%	0.481	43%	0.432	S	S	.	.	H	α-helix	trans	-65	-41.1	177.8	-76.1	177.8	-6.1	0	0	112	T232 L233 E234 E238 Q239 L240	T232-Q236 WeakPolarHBondContact O-CB 3.48Å; T232-Q236 VanDerWaalsContact O-CG 3.27Å; T232-Q236 WeakPolarHBondContact O-CG 3.47Å; T232-Q236 PolarHBondContact O-N 3.23Å; L233-Q236 PolarHBondContact O-N 3.44Å; E234-Q236 VanDerWaalsContact C-N 3.35Å; E234-Q236 PolarHBondContact O-N 3.23Å; Q236-E238 VanDerWaalsContact C-N 3.34Å; Q236-Q239 PolarHBondContact O-N 3.43Å; Q236-L240 WeakPolarHBondContact O-CB 3.3Å; Q236-L240 PolarHBondContact O-N 3.16Å
237	L	70.1	Confident	75.7	Confident	62 Å²	62	92.2 Å²	92.2	33%	0.325	44%	0.441	S	S	.	.	H	α-helix	trans	-63.9	-42.4	177	-130.7	145.1	0	0	0	110.4	L233 E234 L240 A241 W346 I353	L233-L237 WeakPolarHBondContact O-CB 3.25Å; L233-L237 PolarHBondContact O-N 3.08Å; E234-L237 PolarHBondContact O-N 3.41Å; L237-L240 PolarHBondContact O-N 3.27Å; L237-A241 VanDerWaalsContact O-CB 3.28Å; L237-A241 WeakPolarHBondContact O-CB 3.42Å; L237-A241 PolarHBondContact O-N 3.23Å; L237-W346 HydrophobicContact CD2-CH2 4.3Å; L237-I353 HydrophobicContact CB-CG2 4.49Å; L237-I353 HydrophobicContact CD2-CD1 3.64Å; L237-I353 HydrophobicContact CD2-CG1 3.81Å; L237-I353 HydrophobicContact CD2-CG2 4.29Å
238	E	76.8	Confident	75.3	Confident	90 Å²	90	90.6 Å²	90.6	42%	0.421	43%	0.434	S	S	.	.	H	α-helix	trans	-63.6	-41.8	174.9	-160.5	-170.6	179.4	0	0	111.7	E234 E235 Q236 A241 R242	E234-E238 WeakPolarHBondContact O-CB 3.46Å; E234-E238 PolarHBondContact O-N 2.86Å; E235-E238 PolarHBondContact O-N 2.84Å; Q236-E238 VanDerWaalsContact C-N 3.34Å; E238-A241 WeakPolarHBondContact O-CB 3.44Å; E238-A241 PolarHBondContact O-N 2.91Å; E238-R242 WeakPolarHBondContact O-CG 3.49Å; E238-R242 PolarHBondContact O-N 3.41Å; E238-R242 IonicContact OE1-CZ 3.69Å; E238-R242 IonicContact OE1-NE 3.44Å; E238-R242 IonicContact OE1-NH2 2.77Å; E238-R242 PolarHBondContact OE1-NH2 3.01Å; E238-R242 IonicContact OE2-CZ 2.72Å; E238-R242 IonicContact OE2-NH2 2.98Å; E238-R242 PolarHBondContact OE2-NH2 3.01Å; E238-R242 VanDerWaalsContact OE2-NH2 3.16Å
239	Q	77.5	Confident	74.7	Confident	116 Å²	116	92 Å²	92	54%	0.542	44%	0.435	S	S	.	.	H	α-helix	trans	-64.3	-46.5	176.8	-171	178.2	18	0	0	112.1	E235 Q236 A241 R242 Q243	E235-Q239 WeakPolarHBondContact O-CB 3.28Å; E235-Q239 PolarHBondContact O-N 2.84Å; Q236-Q239 PolarHBondContact O-N 3.43Å; Q239-A241 VanDerWaalsContact C-N 3.26Å; Q239-A241 PolarHBondContact O-N 2.87Å; Q239-R242 PolarHBondContact O-N 2.93Å; Q239-Q243 WeakPolarHBondContact O-CG 3.31Å; Q239-Q243 PolarHBondContact O-N 2.65Å
240	L	77.6	Confident	74.7	Confident	100 Å²	100	90.8 Å²	90.8	52%	0.524	44%	0.438	S	S	.	.	H	α-helix	trans	-58.9	-39.8	173.5	-96.3	143.3	0	0	0	111.1	Q236 L237 Q243 H244	Q236-L240 WeakPolarHBondContact O-CB 3.3Å; Q236-L240 PolarHBondContact O-N 3.16Å; L237-L240 PolarHBondContact O-N 3.27Å; L240-Q243 PolarHBondContact O-N 3.39Å; L240-H244 PolarHBondContact O-N 2.95Å
241	A	67.1	Low	74.5	Confident	5 Å²	5	85.3 Å²	85.3	4%	0.041	43%	0.43	C	S	.	.	H	α-helix	trans	-65.1	-40.9	177.6	0	0	0	0	0	113.3	L237 E238 Q239 H244 S245 W346 I353	L237-A241 VanDerWaalsContact O-CB 3.28Å; L237-A241 WeakPolarHBondContact O-CB 3.42Å; L237-A241 PolarHBondContact O-N 3.23Å; E238-A241 WeakPolarHBondContact O-CB 3.44Å; E238-A241 PolarHBondContact O-N 2.91Å; Q239-A241 VanDerWaalsContact C-N 3.26Å; Q239-A241 PolarHBondContact O-N 2.87Å; A241-H244 PolarHBondContact O-N 3.48Å; A241-S245 WeakPolarHBondContact O-CB 3.47Å; A241-S245 PolarHBondContact O-N 3.48Å; A241-S245 PolarHBondContact O-OG 2.88Å; A241-W346 HydrophobicContact CB-CH2 3.97Å; A241-W346 HydrophobicContact CB-CZ2 3.51Å; A241-I353 HydrophobicContact CB-CD1 3.73Å
242	R	72.5	Confident	73.8	Confident	152 Å²	152	87.2 Å²	87.2	57%	0.574	44%	0.438	S	S	*	.	H	α-helix	trans	-63.1	-42.4	173.5	-70.6	175.7	-169	155.9	1.5	111.2	E238 Q239 S245 A246	E238-R242 WeakPolarHBondContact O-CG 3.49Å; E238-R242 PolarHBondContact O-N 3.41Å; E238-R242 IonicContact OE1-CZ 3.69Å; E238-R242 IonicContact OE1-NE 3.44Å; E238-R242 IonicContact OE1-NH2 2.77Å; E238-R242 PolarHBondContact OE1-NH2 3.01Å; E238-R242 IonicContact OE2-CZ 2.72Å; E238-R242 IonicContact OE2-NH2 2.98Å; E238-R242 PolarHBondContact OE2-NH2 3.01Å; E238-R242 VanDerWaalsContact OE2-NH2 3.16Å; Q239-R242 PolarHBondContact O-N 2.93Å; R242-S245 PolarHBondContact O-N 2.95Å; R242-A246 WeakPolarHBondContact O-CB 3.3Å; R242-A246 PolarHBondContact O-N 3.11Å
243	Q	75.8	Confident	73.2	Confident	108 Å²	108	90.5 Å²	90.5	51%	0.505	45%	0.447	S	S	.	.	H	α-helix	trans	-62.8	-45.3	176.3	-73.3	-179.4	-22.7	0	0	112	Q239 L240 S245 A246 L247	Q239-Q243 WeakPolarHBondContact O-CG 3.31Å; Q239-Q243 PolarHBondContact O-N 2.65Å; L240-Q243 PolarHBondContact O-N 3.39Å; Q243-S245 PolarHBondContact O-N 2.96Å; Q243-A246 WeakPolarHBondContact O-CB 3.05Å; Q243-A246 PolarHBondContact O-N 3.13Å; Q243-L247 WeakPolarHBondContact O-CG 3.47Å; Q243-L247 PolarHBondContact O-N 3.03Å
244	H	66.4	Low	72.8	Confident	54 Å²	54	90.8 Å²	90.8	25%	0.25	45%	0.446	C	S	.	.	H	α-helix	trans	-61.2	-45.5	176.4	-167.2	-85.6	0	0	0	111.7	L240 A241 A246 L247 E248 W346	L240-H244 PolarHBondContact O-N 2.95Å; A241-H244 PolarHBondContact O-N 3.48Å; H244-A246 VanDerWaalsContact C-N 3.25Å; H244-A246 PolarHBondContact O-N 3Å; H244-L247 CarbonylContact O-C 3.57Å; H244-L247 WeakPolarHBondContact O-CB 3.44Å; H244-L247 PolarHBondContact O-N 3.18Å; H244-L247 VanDerWaalsContact O-N 3.1Å; H244-E248 IonicContact CE1-OE1 3.88Å; H244-E248 PolarHBondContact CE1-OE1 3.16Å; H244-E248 IonicContact CE1-OE2 3.86Å; H244-E248 IonicContact ND1-OE1 2.87Å; H244-E248 PolarHBondContact ND1-OE1 3.49Å; H244-E248 IonicContact ND1-OE2 3.85Å; H244-E248 PolarHBondContact ND1-OE2 2.81Å; H244-E248 PolarHBondContact O-N 2.72Å; H244-W346 AromaticContact CE1-CD1 3.52Å; H244-W346 AromaticContact CE1-NE1 3.99Å; H244-W346 AromaticContact CG-CD1 3.96Å; H244-W346 AromaticContact CG-NE1 3.65Å; H244-W346 AromaticContact ND1-CD1 3.3Å; H244-W346 VanDerWaalsContact ND1-CD1 3.3Å; H244-W346 AromaticContact ND1-NE1 3.33Å; H244-W346 PolarHBondContact ND1-NE1 2.85Å
245	S	71.3	Confident	72.3	Confident	13 Å²	13	90.9 Å²	90.9	9%	0.091	45%	0.452	C	S	.	.	H	α-helix	trans	-65.3	-29.9	178.4	-51.7	0	0	0	0	112.6	A241 R242 Q243 R249 K350	A241-S245 WeakPolarHBondContact O-CB 3.47Å; A241-S245 PolarHBondContact O-N 3.48Å; A241-S245 PolarHBondContact O-OG 2.88Å; R242-S245 PolarHBondContact O-N 2.95Å; Q243-S245 PolarHBondContact O-N 2.96Å; S245-R249 WeakPolarHBondContact O-CB 3.43Å; S245-R249 VanDerWaalsContact O-CG 3.31Å; S245-R249 WeakPolarHBondContact O-CG 2.99Å; S245-R249 PolarHBondContact O-N 3.32Å; S245-R249 PolarHBondContact O-NE 2.87Å; S245-R249 VanDerWaalsContact O-NE 3.15Å; S245-K350 WeakPolarHBondContact OG-CE 3.27Å; S245-K350 PolarHBondContact OG-NZ 2.95Å
246	A	74.8	Confident	71.2	Confident	47 Å²	47	88.3 Å²	88.3	39%	0.388	44%	0.443	S	S	.	.	H	α-helix	trans	-71.4	-41.8	172.1	0	0	0	0	0	111.2	R242 Q243 H244 R249 A250	R242-A246 WeakPolarHBondContact O-CB 3.3Å; R242-A246 PolarHBondContact O-N 3.11Å; Q243-A246 WeakPolarHBondContact O-CB 3.05Å; Q243-A246 PolarHBondContact O-N 3.13Å; H244-A246 VanDerWaalsContact C-N 3.25Å; H244-A246 PolarHBondContact O-N 3Å; A246-R249 PolarHBondContact O-N 3.02Å; A246-A250 WeakPolarHBondContact O-CB 3.29Å; A246-A250 PolarHBondContact O-N 2.82Å
247	L	75.5	Confident	70.1	Confident	119 Å²	119	89.1 Å²	89.1	62%	0.623	45%	0.446	S	S	*	.	H	α-helix	trans	-65.3	-44.3	175.8	-74.8	167.4	0	0	0	112.3	Q243 H244 R249 A250 A251	Q243-L247 WeakPolarHBondContact O-CG 3.47Å; Q243-L247 PolarHBondContact O-N 3.03Å; H244-L247 CarbonylContact O-C 3.57Å; H244-L247 WeakPolarHBondContact O-CB 3.44Å; H244-L247 PolarHBondContact O-N 3.18Å; H244-L247 VanDerWaalsContact O-N 3.1Å; L247-R249 VanDerWaalsContact C-N 3.34Å; L247-R249 PolarHBondContact O-N 2.99Å; L247-A250 PolarHBondContact O-N 2.87Å; L247-A251 WeakPolarHBondContact O-CB 3.26Å; L247-A251 PolarHBondContact O-N 3.26Å
248	E	67.1	Low	69.4	Low	82 Å²	82	93.5 Å²	93.5	38%	0.383	47%	0.465	S	S	.	.	H	α-helix	trans	-59.3	-44.8	174.3	-78.1	175.9	145.8	0	0	111.1	H244 A251 M252	H244-E248 IonicContact CE1-OE1 3.88Å; H244-E248 PolarHBondContact CE1-OE1 3.16Å; H244-E248 IonicContact CE1-OE2 3.86Å; H244-E248 IonicContact ND1-OE1 2.87Å; H244-E248 PolarHBondContact ND1-OE1 3.49Å; H244-E248 IonicContact ND1-OE2 3.85Å; H244-E248 PolarHBondContact ND1-OE2 2.81Å; H244-E248 PolarHBondContact O-N 2.72Å; E248-A251 PolarHBondContact O-N 3Å; E248-M252 VanDerWaalsContact O-CB 3.23Å; E248-M252 WeakPolarHBondContact O-CB 3.36Å; E248-M252 PolarHBondContact O-N 3.45Å
249	R	71.6	Confident	67.8	Low	178 Å²	178	92.1 Å²	92.1	67%	0.672	47%	0.465	S	S	*	.	H	α-helix	trans	-65.1	-39.1	175.8	-77.4	-176.2	-67.6	171.3	-0.4	112.6	S245 A246 L247 K253	S245-R249 WeakPolarHBondContact O-CB 3.43Å; S245-R249 VanDerWaalsContact O-CG 3.31Å; S245-R249 WeakPolarHBondContact O-CG 2.99Å; S245-R249 PolarHBondContact O-N 3.32Å; S245-R249 PolarHBondContact O-NE 2.87Å; S245-R249 VanDerWaalsContact O-NE 3.15Å; A246-R249 PolarHBondContact O-N 3.02Å; L247-R249 VanDerWaalsContact C-N 3.34Å; L247-R249 PolarHBondContact O-N 2.99Å; R249-K253 VanDerWaalsContact O-CB 3.22Å; R249-K253 WeakPolarHBondContact O-CB 3.41Å; R249-K253 PolarHBondContact O-N 3.25Å
250	A	73.7	Confident	66	Low	53 Å²	53	96.6 Å²	96.6	44%	0.438	49%	0.485	S	S	.	.	H	α-helix	trans	-65.6	-45.2	175.8	0	0	0	0	0	111.3	A246 L247 K253 E254	A246-A250 WeakPolarHBondContact O-CB 3.29Å; A246-A250 PolarHBondContact O-N 2.82Å; L247-A250 PolarHBondContact O-N 2.87Å; A250-K253 PolarHBondContact O-N 3.23Å; A250-E254 PolarHBondContact O-N 2.8Å
251	A	68.4	Low	64	Low	55 Å²	55	94.4 Å²	94.4	46%	0.455	49%	0.487	S	S	.	.	H	α-helix	trans	-63.6	-41.8	175.8	0	0	0	0	0	111.7	L247 E248 K253 E254 V255	L247-A251 WeakPolarHBondContact O-CB 3.26Å; L247-A251 PolarHBondContact O-N 3.26Å; E248-A251 PolarHBondContact O-N 3Å; A251-K253 VanDerWaalsContact C-N 3.34Å; A251-E254 PolarHBondContact O-N 2.91Å; A251-V255 VanDerWaalsContact O-CG2 3.26Å; A251-V255 WeakPolarHBondContact O-CG2 3.05Å; A251-V255 PolarHBondContact O-N 3.31Å
252	M	67.7	Low	62.5	Low	117 Å²	117	101.7 Å²	101.7	58%	0.576	53%	0.526	S	S	*	.	H	α-helix	trans	-67.3	-37.3	176.7	-165.2	129.9	-175.6	0	0	111.4	E248 V255 L256	E248-M252 VanDerWaalsContact O-CB 3.23Å; E248-M252 WeakPolarHBondContact O-CB 3.36Å; E248-M252 PolarHBondContact O-N 3.45Å; M252-V255 PolarHBondContact O-N 3.03Å; M252-L256 HydrophobicContact CG-CD1 4Å; M252-L256 HydrophobicContact CG-CG 4.49Å; M252-L256 VanDerWaalsContact O-CB 3.32Å; M252-L256 WeakPolarHBondContact O-CB 3.28Å; M252-L256 WeakPolarHBondContact O-CD1 3.08Å; M252-L256 WeakPolarHBondContact O-CG 3.3Å; M252-L256 PolarHBondContact O-N 2.87Å
253	K	72	Confident	60.9	Low	125 Å²	125	98.2 Å²	98.2	54%	0.543	52%	0.522	S	S	.	.	H	α-helix	trans	-63.4	-43.8	173.5	-175.9	177.6	170.2	-177.1	0	111.6	R249 A250 A251 L256 E257	R249-K253 VanDerWaalsContact O-CB 3.22Å; R249-K253 WeakPolarHBondContact O-CB 3.41Å; R249-K253 PolarHBondContact O-N 3.25Å; A250-K253 PolarHBondContact O-N 3.23Å; A251-K253 VanDerWaalsContact C-N 3.34Å; K253-L256 PolarHBondContact O-N 2.69Å; K253-E257 WeakPolarHBondContact CE-OE1 3.27Å; K253-E257 HydrophobicContact CG-CG 4.34Å; K253-E257 IonicContact NZ-OE1 2.79Å; K253-E257 WeakPolarHBondContact O-CB 3.33Å; K253-E257 WeakPolarHBondContact O-CG 3.03Å; K253-E257 PolarHBondContact O-N 3.23Å
254	E	68	Low	58.6	Low	107 Å²	107	102.2 Å²	102.2	50%	0.5	54%	0.538	S	S	.	.	H	α-helix	trans	-59.4	-45.7	172.8	-78.6	-75.7	161.4	0	0	111.7	A250 A251 L256 E257 H258	A250-E254 PolarHBondContact O-N 2.8Å; A251-E254 PolarHBondContact O-N 2.91Å; E254-L256 VanDerWaalsContact C-N 3.31Å; E254-L256 PolarHBondContact O-N 2.84Å; E254-E257 PolarHBondContact O-N 2.81Å; E254-H258 WeakPolarHBondContact O-CB 3.27Å; E254-H258 PolarHBondContact O-N 3.02Å; E254-H258 PolarHBondContact O-ND1 2.88Å; E254-H258 IonicContact OE2-CE1 2.67Å
255	V	64.7	Low	56.9	Low	93 Å²	93	108.7 Å²	108.7	56%	0.564	57%	0.566	S	S	*	*	H	α-helix	trans	-61.5	-39.7	176.3	171.8	0	0	0	0	111.5	A251 M252 S259	A251-V255 VanDerWaalsContact O-CG2 3.26Å; A251-V255 WeakPolarHBondContact O-CG2 3.05Å; A251-V255 PolarHBondContact O-N 3.31Å; M252-V255 PolarHBondContact O-N 3.03Å; V255-S259 VanDerWaalsContact O-CB 3.23Å; V255-S259 WeakPolarHBondContact O-CB 3.2Å; V255-S259 PolarHBondContact O-N 3.14Å; V255-S259 VanDerWaalsContact O-N 3.15Å; V255-S259 PolarHBondContact O-OG 2.65Å
256	L	56.8	Low	54.9	Low	76 Å²	76	116.5 Å²	116.5	40%	0.398	60%	0.601	S	S	.	*	H	α-helix	trans	-73.1	-39.4	178.8	-73.6	164.8	0	0	0	112.8	M252 K253 E254 H258 S259 P263	M252-L256 HydrophobicContact CG-CD1 4Å; M252-L256 HydrophobicContact CG-CG 4.49Å; M252-L256 VanDerWaalsContact O-CB 3.32Å; M252-L256 WeakPolarHBondContact O-CB 3.28Å; M252-L256 WeakPolarHBondContact O-CD1 3.08Å; M252-L256 WeakPolarHBondContact O-CG 3.3Å; M252-L256 PolarHBondContact O-N 2.87Å; K253-L256 PolarHBondContact O-N 2.69Å; E254-L256 VanDerWaalsContact C-N 3.31Å; E254-L256 PolarHBondContact O-N 2.84Å; L256-H258 PolarHBondContact O-N 2.71Å; L256-S259 PolarHBondContact O-N 2.96Å; L256-P263 HydrophobicContact CD2-CB 4.33Å; L256-P263 HydrophobicContact CD2-CG 3.23Å
257	E	57.5	Low	52.7	Low	120 Å²	120	118.6 Å²	118.6	56%	0.561	61%	0.613	S	S	*	*	H	α-helix	trans	-67.8	-26	176	-75.3	179.8	171.6	0	0	111.8	K253 E254	K253-E257 WeakPolarHBondContact CE-OE1 3.27Å; K253-E257 HydrophobicContact CG-CG 4.34Å; K253-E257 IonicContact NZ-OE1 2.79Å; K253-E257 WeakPolarHBondContact O-CB 3.33Å; K253-E257 WeakPolarHBondContact O-CG 3.03Å; K253-E257 PolarHBondContact O-N 3.23Å; E254-E257 PolarHBondContact O-N 2.81Å
258	H	54.8	Low	50.5	Low	153 Å²	153	117.6 Å²	117.6	71%	0.708	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.8	-6	174.2	-72.1	26.4	0	0	0	114.1	E254 L256	E254-H258 WeakPolarHBondContact O-CB 3.27Å; E254-H258 PolarHBondContact O-N 3.02Å; E254-H258 PolarHBondContact O-ND1 2.88Å; E254-H258 IonicContact OE2-CE1 2.67Å; L256-H258 PolarHBondContact O-N 2.71Å
259	S	42.6	Very low	48.4	Very low	61 Å²	61	119 Å²	119	43%	0.427	64%	0.636	S	S	.	*			trans	-115.9	100	-178	-57.3	0	0	0	0	110.8	V255 L256 G261	V255-S259 VanDerWaalsContact O-CB 3.23Å; V255-S259 WeakPolarHBondContact O-CB 3.2Å; V255-S259 PolarHBondContact O-N 3.14Å; V255-S259 VanDerWaalsContact O-N 3.15Å; V255-S259 PolarHBondContact O-OG 2.65Å; L256-S259 PolarHBondContact O-N 2.96Å; S259-G261 PolarHBondContact O-N 3.38Å
260	H	39.4	Very low	46.4	Very low	210 Å²	210	115.8 Å²	115.8	97%	0.972	64%	0.641	S	S	*	*			trans	-64.8	84.8	163.2	-75.2	-44.5	0	0	0	109.8
261	G	37.1	Very low	44.1	Very low	55 Å²	55	120.2 Å²	120.2	57%	0.567	66%	0.657	S	S	*	*	S	Bend	trans	176.8	114.9	178.5	0	0	0	0	0	113.6	S259	S259-G261 PolarHBondContact O-N 3.38Å
262	N	33.9	Very low	42.4	Very low	158 Å²	158	124.9 Å²	124.9	85%	0.845	68%	0.675	S	S	*	*			trans	-56	123.1	-171.7	-159.4	15	0	0	0	115
263	P	39.1	Very low	40.6	Very low	78 Å²	78	127 Å²	127	51%	0.506	69%	0.688	S	S	.	*			trans	-107.2	125.9	175.9	19.6	0.1	0	0	0	112.5	L256	L256-P263 HydrophobicContact CD2-CB 4.33Å; L256-P263 HydrophobicContact CD2-CG 3.23Å
264	K	29	Very low	38.6	Very low	192 Å²	192	124.1 Å²	124.1	84%	0.835	69%	0.694	S	S	*	*			trans	-101.9	105.3	158.8	-76.7	-174.6	175.4	-172.7	0	108.2
265	F	30.8	Very low	36.8	Very low	190 Å²	190	126.9 Å²	126.9	83%	0.833	71%	0.707	S	S	*	*			trans	-128.8	91.5	161.7	-164	-96.7	0	0	0	107.2	S267	F265-S267 PolarHBondContact O-N 2.78Å
266	E	28	Very low	35	Very low	178 Å²	178	129 Å²	129	83%	0.832	72%	0.719	S	S	*	*			trans	-74.1	111.6	173.6	-79.1	173.8	174.9	0	0	108.4	A268	E266-A268 PolarHBondContact O-N 2.81Å
267	S	29	Very low	33.9	Very low	91 Å²	91	132.6 Å²	132.6	64%	0.636	73%	0.732	S	S	*	*			trans	-70.9	101.9	168	160.7	0	0	0	0	108.4	F265 T269	F265-S267 PolarHBondContact O-N 2.78Å; S267-T269 PolarHBondContact O-N 3.29Å; S267-T269 VanDerWaalsContact O-N 3.08Å
268	A	28.6	Very low	32.4	Very low	97 Å²	97	135.2 Å²	135.2	80%	0.802	74%	0.744	S	S	*	*			trans	-67.1	102.3	167.9	0	0	0	0	0	109.5	E266 S270	E266-A268 PolarHBondContact O-N 2.81Å; A268-S270 PolarHBondContact O-N 3.44Å
269	T	23.8	Very low	31.1	Very low	113 Å²	113	135 Å²	135	69%	0.693	75%	0.748	S	S	*	*			trans	-80.4	99.6	160.6	48.9	0	0	0	0	107.1	S267	S267-T269 PolarHBondContact O-N 3.29Å; S267-T269 VanDerWaalsContact O-N 3.08Å
270	S	29.4	Very low	30.4	Very low	109 Å²	109	136.7 Å²	136.7	76%	0.762	77%	0.766	S	S	*	*			trans	-90	102.3	162.5	64.3	0	0	0	0	107.9	A268 D272	A268-S270 PolarHBondContact O-N 3.44Å; S270-D272 PolarHBondContact O-N 2.96Å
271	D	26.3	Very low	29.8	Very low	146 Å²	146	131.6 Å²	131.6	78%	0.781	76%	0.76	S	S	*	*			trans	-63.3	111.7	160.3	-67	-37.6	0	0	0	107.6
272	D	32.3	Very low	29.5	Very low	154 Å²	154	137.5 Å²	137.5	82%	0.824	77%	0.773	S	S	*	*			trans	-124.6	90.9	162.5	-167	37.4	0	0	0	107.3	S270	S270-D272 PolarHBondContact O-N 2.96Å
273	D	29.5	Very low	29.2	Very low	160 Å²	160	134.8 Å²	134.8	86%	0.856	77%	0.772	S	S	*	*			trans	-76.7	125.5	166.9	-81.9	-40.2	0	0	0	108.9
274	G	29.8	Very low	28.4	Very low	65 Å²	65	138 Å²	138	67%	0.67	78%	0.784	S	S	*	*			trans	123.2	96.6	154.4	0	0	0	0	0	115.3
275	E	30.4	Very low	28.2	Very low	166 Å²	166	132.7 Å²	132.7	78%	0.776	78%	0.776	S	S	*	*				-172.1	102.7	117.7	-100.9	-178.5	-178.7	0	0	109.3	F277	E275-F277 HydrophobicContact CB-CD2 4.14Å; E275-F277 HydrophobicContact CB-CE2 4.36Å; E275-F277 PolarHBondContact O-N 3.14Å; E275-F277 VanDerWaalsContact O-N 3.1Å; E275-F277 WeakPolarHBondContact OE2-CE2 3.29Å
276	V	26.1	Very low	27.9	Very low	136 Å²	136	129.3 Å²	129.3	82%	0.824	77%	0.766	S	S	*	*			trans	-71.3	96.9	171.6	176.6	0	0	0	0	107.6
277	F	33.8	Very low	27.8	Very low	152 Å²	152	127.3 Å²	127.3	67%	0.667	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-91.5	122.4	173.6	-103.5	-91.8	0	0	0	111.1	E275	E275-F277 HydrophobicContact CB-CD2 4.14Å; E275-F277 HydrophobicContact CB-CE2 4.36Å; E275-F277 PolarHBondContact O-N 3.14Å; E275-F277 VanDerWaalsContact O-N 3.1Å; E275-F277 WeakPolarHBondContact OE2-CE2 3.29Å
278	H	27.4	Very low	27.7	Very low	175 Å²	175	128.9 Å²	128.9	81%	0.81	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-62.7	141.9	-173.3	-72.9	-86.2	0	0	0	114.8
279	D	26.5	Very low	27.4	Very low	149 Å²	149	130.4 Å²	130.4	80%	0.797	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-62.8	126.6	177.8	-60.9	-32	0	0	0	112.5
280	A	27.2	Very low	27.6	Very low	97 Å²	97	130.3 Å²	130.3	80%	0.802	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-102.9	122.4	162.6	0	0	0	0	0	109	E282	A280-E282 PolarHBondContact O-N 3.35Å
281	A	27.9	Very low	27.4	Very low	103 Å²	103	133 Å²	133	85%	0.851	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-61	125.8	-171.4	0	0	0	0	0	113.3	A283	A281-A283 PolarHBondContact O-N 3.36Å; A281-A283 VanDerWaalsContact O-N 3.1Å
282	E	30.6	Very low	27.5	Very low	179 Å²	179	130.5 Å²	130.5	84%	0.836	74%	0.739	S	S	*	*			trans	-66.7	105.1	171.9	-72.8	-172.9	150.7	0	0	110.7	A280 I284	A280-E282 PolarHBondContact O-N 3.35Å; E282-I284 PolarHBondContact O-N 3.07Å; E282-I284 VanDerWaalsContact O-N 3.08Å
283	A	26.9	Very low	27.1	Very low	100 Å²	100	130 Å²	130	83%	0.826	74%	0.735	S	S	*	*			trans	-71.1	95.7	163	0	0	0	0	0	109.1	A281 A285	A281-A283 PolarHBondContact O-N 3.36Å; A281-A283 VanDerWaalsContact O-N 3.1Å; A283-A285 PolarHBondContact O-N 3.05Å
284	I	23.4	Very low	27	Very low	146 Å²	146	131.6 Å²	131.6	75%	0.749	74%	0.735	S	S	*	*			trans	-70.1	95.4	169.8	-57.9	177.1	0	0	0	107.3	E282	E282-I284 PolarHBondContact O-N 3.07Å; E282-I284 VanDerWaalsContact O-N 3.08Å
285	A	25.2	Very low	26.7	Very low	81 Å²	81	133.9 Å²	133.9	67%	0.669	74%	0.74	S	S	*	*			trans	-96.4	116.2	168.3	0	0	0	0	0	109.8	A283	A283-A285 PolarHBondContact O-N 3.05Å
286	D	23.2	Very low	26.4	Very low	118 Å²	118	129.3 Å²	129.3	63%	0.631	74%	0.737	S	S	*	*			trans	-50.3	138	178.6	-59.6	-60.1	0	0	0	114.1	Y288	D286-Y288 HydrophobicContact CB-CD2 4.16Å; D286-Y288 HydrophobicContact CB-CE2 3.88Å
287	V	25.7	Very low	26.3	Very low	136 Å²	136	131.1 Å²	131.1	82%	0.824	74%	0.741	S	S	*	*			trans	-143.3	120	147.4	-178.3	0	0	0	0	108.5
288	Y	27.5	Very low	26	Very low	124 Å²	124	128.3 Å²	128.3	49%	0.486	75%	0.746	S	S	.	*			trans	-78.2	164.8	-166.3	-84.6	-102.1	0	0	0	116.6	E145 D286	E145-Y288 WeakPolarHBondContact OE1-CD2 3.42Å; E145-Y288 WeakPolarHBondContact OE1-CE2 3.41Å; E145-Y288 WeakPolarHBondContact OE2-CE1 3.48Å; E145-Y288 PolarHBondContact OE2-OH 3.38Å; D286-Y288 HydrophobicContact CB-CD2 4.16Å; D286-Y288 HydrophobicContact CB-CE2 3.88Å
289	N	23.1	Very low	25.8	Very low	130 Å²	130	126.4 Å²	126.4	70%	0.695	75%	0.747	S	S	*	*			trans	-45.7	152.8	169.3	-86	-39.2	0	0	0	116.2
290	V	26.4	Very low	25.8	Very low	111 Å²	111	122.9 Å²	122.9	67%	0.673	74%	0.739	S	S	*	*			trans	-127.7	135.5	153.7	179.8	0	0	0	0	109.1
291	Y	27.1	Very low	25.6	Very low	165 Å²	165	129.5 Å²	129.5	65%	0.647	74%	0.743	S	S	*	*			trans	-53.9	153.5	-163.4	-60.5	-89.7	0	0	0	119.4	E142	E142-Y291 WeakPolarHBondContact OE1-CE1 3.35Å; E142-Y291 PolarHBondContact OE1-OH 2.99Å
292	P	27.4	Very low	25.6	Very low	94 Å²	94	132.1 Å²	132.1	61%	0.61	74%	0.736	S	S	*	*			trans	-97.6	137.2	157.4	33.9	-24.6	0	0	0	111.7
293	I	25	Very low	25.3	Very low	142 Å²	142	130.3 Å²	130.3	73%	0.728	74%	0.736	S	S	*	*			trans	-127.8	137	174.1	-70.2	179.2	0	0	0	109.2
294	F	25.9	Very low	25.2	Very low	195 Å²	195	130.5 Å²	130.5	86%	0.855	74%	0.738	S	S	*	*			trans	74.8	91.7	172.9	-73.3	-65.2	0	0	0	119.4
295	S	23.7	Very low	25.4	Very low	113 Å²	113	128 Å²	128	79%	0.79	74%	0.739	S	S	*	*			trans	-77.3	124.5	144.6	58.6	0	0	0	0	109.6
296	G	24.2	Very low	25.4	Very low	69 Å²	69	128.1 Å²	128.1	71%	0.711	75%	0.748	S	S	*	*			trans	146.6	54.2	162.3	0	0	0	0	0	116.5
297	L	24.7	Very low	25.5	Very low	174 Å²	174	129.8 Å²	129.8	91%	0.911	76%	0.756	S	S	*	*			trans	-153.2	78.5	154.8	-126.1	108.1	0	0	0	109.5
298	A	26.9	Very low	25.5	Very low	93 Å²	93	132.6 Å²	132.6	77%	0.769	76%	0.76	S	S	*	*			trans	-131.1	86.5	173.5	0	0	0	0	0	108.7
299	T	23.5	Very low	25.4	Very low	136 Å²	136	136.6 Å²	136.6	83%	0.834	78%	0.78	S	S	*	*			trans	-175	76.7	146.3	13.4	0	0	0	0	110.6
300	A	26.3	Very low	25.5	Very low	75 Å²	75	134 Å²	134	62%	0.62	79%	0.785	S	S	*	*			trans	-105.7	99.1	153	0	0	0	0	0	106.9	F302	A300-F302 HydrophobicContact CB-CD2 4.07Å; A300-F302 HydrophobicContact CB-CE2 3.56Å; A300-F302 HydrophobicContact CB-CZ 4.38Å; A300-F302 WeakPolarHBondContact O-CD2 3.22Å; A300-F302 PolarHBondContact O-N 2.64Å
301	R	22.6	Very low	25.5	Very low	236 Å²	236	140.6 Å²	140.6	89%	0.891	80%	0.797	S	S	*	*			trans	-69	109.6	173.2	-77.4	178.2	170.7	169.2	-2.5	107.9
302	F	28	Very low	25.5	Very low	157 Å²	157	139.7 Å²	139.7	69%	0.689	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-99.7	128	173.4	-78.7	-81.1	0	0	0	111.2	A300 M559	A300-F302 HydrophobicContact CB-CD2 4.07Å; A300-F302 HydrophobicContact CB-CE2 3.56Å; A300-F302 HydrophobicContact CB-CZ 4.38Å; A300-F302 WeakPolarHBondContact O-CD2 3.22Å; A300-F302 PolarHBondContact O-N 2.64Å; F302-M559 HydrophobicContact CE2-CE 4.33Å; F302-M559 HydrophobicContact CE2-SD 4.39Å; F302-M559 HydrophobicContact CZ-CE 3.86Å; F302-M559 HydrophobicContact CZ-SD 4.44Å
303	V	23.9	Very low	25.6	Very low	141 Å²	141	141.8 Å²	141.8	86%	0.855	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-78.8	127.6	173.1	175.6	0	0	0	0	108.3	A305	V303-A305 PolarHBondContact O-N 3.42Å
304	A	24.7	Very low	25.6	Very low	104 Å²	104	144.3 Å²	144.3	86%	0.86	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-67	117.5	177.5	0	0	0	0	0	110.9
305	A	27.8	Very low	26	Very low	94 Å²	94	136.6 Å²	136.6	78%	0.777	79%	0.793	S	S	*	*			trans	-109.4	127.8	165	0	0	0	0	0	108.7	V303	V303-A305 PolarHBondContact O-N 3.42Å
306	G	25.2	Very low	26.9	Very low	83 Å²	83	138 Å²	138	86%	0.856	80%	0.799	S	S	*	*			trans	-69.3	145.2	-167.6	0	0	0	0	0	115.2
307	L	26.6	Very low	28.1	Very low	153 Å²	153	138 Å²	138	80%	0.801	79%	0.788	S	S	*	*			trans	-77.2	133.9	176.5	-92.9	93.8	0	0	0	112.3
308	Q	24.7	Very low	29.7	Very low	195 Å²	195	138.3 Å²	138.3	91%	0.911	79%	0.785	S	S	*	*			trans	-105.3	128.7	152.4	-74.9	-170.4	-16	0	0	109
309	K	25.4	Very low	31.6	Very low	208 Å²	208	136.4 Å²	136.4	90%	0.904	76%	0.759	S	S	*	*			trans	-76.2	137.7	-179.6	-74.8	179.9	172.6	-176.6	0	111.1
310	G	25.8	Very low	34	Very low	76 Å²	76	134.1 Å²	134.1	78%	0.784	74%	0.744	S	S	*	*			trans	103.7	84.8	159.4	0	0	0	0	0	115
311	R	26.2	Very low	36.1	Very low	250 Å²	250	133.4 Å²	133.4	94%	0.943	73%	0.733	S	S	*	*			trans	-136.2	126.1	154.1	-78	-169.1	176.7	-175.3	-1.1	110
312	T	27.2	Very low	38.1	Very low	146 Å²	146	123.5 Å²	123.5	90%	0.896	70%	0.7	S	S	*	*			trans	-65.7	142.2	173.1	14.5	0	0	0	0	111.3
313	F	29.8	Very low	40	Very low	137 Å²	137	122.2 Å²	122.2	60%	0.601	71%	0.705	S	S	*	*			trans	-53.7	121.6	-175.1	-179	-98.5	0	0	0	114.7
314	Q	24.9	Very low	41.9	Very low	195 Å²	195	123.7 Å²	123.7	91%	0.911	70%	0.695	S	S	*	*			trans	-143.4	91.5	158.9	-72.8	-172.5	-5.9	0	0	109
315	G	33.6	Very low	43.8	Very low	33 Å²	33	121.7 Å²	121.7	34%	0.34	67%	0.673	S	S	.	*			trans	-101	147.4	168.7	0	0	0	0	0	110.8	S317	G315-S317 VanDerWaalsContact C-N 3.28Å; G315-S317 PolarHBondContact O-N 3.07Å
316	P	42.1	Very low	45.1	Very low	142 Å²	142	124.6 Å²	124.6	92%	0.922	68%	0.681	S	S	*	*	S	Bend	trans	-84.5	19.7	-170.9	34	-36	0	0	0	115.5
317	S	49.4	Very low	46.9	Very low	69 Å²	69	126.2 Å²	126.2	48%	0.483	68%	0.675	S	S	.	*	S	Bend	trans	-116.5	101.1	165	-178.6	0	0	0	0	106.7	G315 Y319	G315-S317 VanDerWaalsContact C-N 3.28Å; G315-S317 PolarHBondContact O-N 3.07Å; S317-Y319 PolarHBondContact O-N 2.97Å
318	E	59.9	Low	49	Very low	181 Å²	181	121.7 Å²	121.7	85%	0.846	66%	0.659	S	S	*	*			trans	-63.5	100.7	176.7	-155.7	166.6	-150.7	0	0	106.7	V320	E318-V320 PolarHBondContact O-N 3.07Å
319	Y	65.3	Low	51.8	Low	54 Å²	54	116.7 Å²	116.7	21%	0.212	63%	0.632	C	S	.	*			trans	-53.2	112.9	175.5	162.8	-111.1	0	0	0	107.8	S317 P321 P322 D387 R388	S317-Y319 PolarHBondContact O-N 2.97Å; Y319-P321 HydrophobicContact CD1-CB 4.43Å; Y319-P321 HydrophobicContact CE1-CB 3.73Å; Y319-P321 WeakPolarHBondContact O-CD 3.41Å; Y319-P322 WeakPolarHBondContact OH-CD 3.49Å; Y319-D387 HydrophobicContact CE2-CB 3.88Å; Y319-R388 HydrophobicContact CD2-CG 3.4Å; Y319-R388 HydrophobicContact CE2-CG 4Å; Y319-R388 HydrophobicContact CG-CG 4.04Å
320	V	75	Confident	54.7	Low	88 Å²	88	116.4 Å²	116.4	53%	0.533	63%	0.631	S	S	.	*			trans	-84.6	103.5	173.7	-174.7	0	0	0	0	107.3	E318 Q391 R461	E318-V320 PolarHBondContact O-N 3.07Å; V320-Q391 PolarHBondContact O-NE2 2.79Å; V320-R461 PolarHBondContact O-NH1 3.47Å; V320-R461 PolarHBondContact O-NH2 2.87Å
321	P	69.8	Low	57.9	Low	60 Å²	60	114.4 Å²	114.4	39%	0.39	60%	0.6	S	S	.	*			trans	-60.8	154.5	175.8	26.4	-34.2	0	0	0	110.4	Y319	Y319-P321 HydrophobicContact CD1-CB 4.43Å; Y319-P321 HydrophobicContact CE1-CB 3.73Å; Y319-P321 WeakPolarHBondContact O-CD 3.41Å
322	P	66.1	Low	61.1	Low	28 Å²	28	104.5 Å²	104.5	18%	0.182	56%	0.562	C	S	.	*			trans	-52.2	146.4	168.1	-21.5	30.8	0	0	0	111.1	Y319 R324	Y319-P322 WeakPolarHBondContact OH-CD 3.49Å; P322-R324 PolarHBondContact O-N 3.31Å
323	T	66.4	Low	64.1	Low	129 Å²	129	102 Å²	102	79%	0.791	55%	0.55	S	S	*	*			trans	-63.1	108.4	172.5	45.5	0	0	0	0	109.2
324	R	65	Low	67.1	Low	172 Å²	172	99.1 Å²	99.1	65%	0.649	54%	0.544	S	S	*	.			trans	-81	133.1	-179.3	-65.1	-179.1	179.3	165.8	0.3	110.4	P322	P322-R324 PolarHBondContact O-N 3.31Å
325	P	62.8	Low	70.3	Confident	63 Å²	63	90.3 Å²	90.3	41%	0.409	50%	0.503	S	S	.	.			trans	-55.7	143.3	164.2	-19.3	30.3	0	0	0	110.6	T327 D435	P325-T327 PolarHBondContact O-N 3.13Å; P325-T327 VanDerWaalsContact O-N 3.09Å; P325-D435 WeakPolarHBondContact CD-O 3.3Å
326	V	57.2	Low	73.1	Confident	154 Å²	154	91.7 Å²	91.7	93%	0.933	51%	0.506	S	S	*	.	S	Bend	trans	-61.3	-20.7	-179.1	179.4	0	0	0	0	112.2
327	T	61.7	Low	75.3	Confident	118 Å²	118	89 Å²	89	72%	0.724	49%	0.489	S	S	*	.			trans	-115.3	70	-176.8	58.2	0	0	0	0	111.5	P325 R329	P325-T327 PolarHBondContact O-N 3.13Å; P325-T327 VanDerWaalsContact O-N 3.09Å; T327-R329 PolarHBondContact O-N 3.45Å
328	A	70.4	Confident	77	Confident	58 Å²	58	89.9 Å²	89.9	48%	0.479	48%	0.482	S	S	.	.			trans	-67.4	130	164.3	0	0	0	0	0	108.9
329	R	83.1	Confident	78.1	Confident	90 Å²	90	83.1 Å²	83.1	34%	0.34	45%	0.453	S	S	.	.			trans	-68	147	177.6	66.4	-170.1	167.1	146.2	-8.1	110.9	T327 R331 D435 E611	T327-R329 PolarHBondContact O-N 3.45Å; R329-R331 VanDerWaalsContact NE-NH2 3.14Å; R329-R331 PolarHBondContact O-N 3.46Å; R329-D435 WeakPolarHBondContact CG-OD2 3.43Å; R329-D435 PolarHBondContact N-OD2 3.14Å; R329-D435 IonicContact NE-OD2 3.16Å; R329-E611 IonicContact CZ-OE1 3.29Å; R329-E611 IonicContact CZ-OE2 3.82Å; R329-E611 IonicContact NH1-OE1 3.09Å; R329-E611 PolarHBondContact NH1-OE1 3.16Å; R329-E611 IonicContact NH1-OE2 3.53Å; R329-E611 PolarHBondContact NH1-OE2 3.04Å; R329-E611 IonicContact NH2-OE1 3.56Å; R329-E611 PolarHBondContact NH2-OE1 2.94Å; R329-E611 IonicContact NH2-OE2 3.76Å; R329-E611 PolarHBondContact NH2-OE2 2.98Å
330	K	87.4	Confident	78.5	Confident	202 Å²	202	88.8 Å²	88.8	88%	0.878	49%	0.487	S	S	*	.			trans	-75.4	112.6	176.1	-173.2	178.4	-179.7	-179	0	109.7
331	R	92.4	Very high	78.3	Confident	34 Å²	34	88.1 Å²	88.1	13%	0.128	48%	0.483	C	S	.	.			trans	-81.8	158.5	176.3	-57.9	-70.5	-175.1	158.4	-0.8	111.8	R329 D432 D435 D436 Q606	R329-R331 VanDerWaalsContact NE-NH2 3.14Å; R329-R331 PolarHBondContact O-N 3.46Å; R331-D432 PolarHBondContact NH2-O 2.91Å; R331-D435 IonicContact NH2-OD1 3.3Å; R331-D435 PolarHBondContact NH2-OD1 2.66Å; R331-D436 IonicContact NE-OD2 2.58Å; R331-Q606 HydrophobicContact CB-CG 3.99Å
332	R	94.2	Very high	77.8	Confident	41 Å²	41	91.1 Å²	91.1	16%	0.155	51%	0.505	C	S	.	.			trans	-65.6	149.3	172.9	75.4	-179.6	-174.1	170.3	9.5	111.8	I335 V605 Q606 N608 E609 E629	R332-I335 VanDerWaalsContact CZ-CG2 3.42Å; R332-V605 HydrophobicContact CG-CG1 4.07Å; R332-V605 PolarHBondContact NE-O 3.29Å; R332-V605 PolarHBondContact NH2-O 3.21Å; R332-Q606 VanDerWaalsContact O-CG 3.28Å; R332-Q606 WeakPolarHBondContact O-CG 3.39Å; R332-Q606 PolarHBondContact O-NE2 3.35Å; R332-N608 VanDerWaalsContact CZ-C 3.42Å; R332-N608 PolarHBondContact NH1-O 3.48Å; R332-N608 VanDerWaalsContact NH2-C 3.27Å; R332-E609 HydrophobicContact CB-CG 4.34Å; R332-E609 HydrophobicContact CG-CB 3.95Å; R332-E609 HydrophobicContact CG-CG 4.02Å; R332-E609 PolarHBondContact N-OE1 3.37Å; R332-E609 PolarHBondContact N-OE2 3.29Å; R332-E629 IonicContact CZ-OE1 2.84Å; R332-E629 IonicContact CZ-OE2 3.96Å; R332-E629 IonicContact NH1-OE1 3.14Å; R332-E629 PolarHBondContact NH1-OE1 2.9Å; R332-E629 IonicContact NH1-OE2 2.87Å; R332-E629 PolarHBondContact NH1-OE2 3.35Å; R332-E629 IonicContact NH2-OE1 3.72Å; R332-E629 PolarHBondContact NH2-OE1 3.41Å; R332-E629 IonicContact NH2-OE2 3.18Å
333	S	90.6	Very high	77.9	Confident	93 Å²	93	93.5 Å²	93.5	65%	0.65	52%	0.516	S	S	*	.			trans	-114.8	-9.7	179	58.2	0	0	0	0	114
334	T	92.1	Very high	77.9	Confident	77 Å²	77	89.8 Å²	89.8	47%	0.472	50%	0.496	S	S	.	.			trans	-154.7	166	-176.3	-167.2	0	0	0	0	111
335	I	92.5	Very high	77.9	Confident	10 Å²	10	83.1 Å²	83.1	5%	0.051	47%	0.473	C	S	.	.			trans	-131.2	167.6	172.7	54.1	168.8	0	0	0	108.1	R332 P369 F597 Y598 L600 V605 E629	R332-I335 VanDerWaalsContact CZ-CG2 3.42Å; I335-P369 HydrophobicContact CD1-CG 4.27Å; I335-F597 HydrophobicContact CG1-CB 4.48Å; I335-F597 HydrophobicContact CG1-CD1 4.06Å; I335-F597 VanDerWaalsContact O-CD1 3.28Å; I335-F597 WeakPolarHBondContact O-CD1 3.49Å; I335-F597 WeakPolarHBondContact O-CE1 3.21Å; I335-Y598 HydrophobicContact CD1-CD2 4Å; I335-Y598 HydrophobicContact CD1-CE2 4.22Å; I335-L600 HydrophobicContact CD1-CD1 3.7Å; I335-V605 HydrophobicContact CG2-CG1 4.2Å; I335-E629 HydrophobicContact CB-CG 4.29Å; I335-E629 HydrophobicContact CD1-CG 4.33Å; I335-E629 HydrophobicContact CG2-CG 4.22Å
336	P	91.7	Very high	77.9	Confident	62 Å²	62	80.9 Å²	80.9	40%	0.403	46%	0.456	S	S	.	.	P	Polyproline II helix	trans	-53.6	144	171.2	-26.3	36.7	0	0	0	111.8
337	P	88.1	Confident	78.3	Confident	85 Å²	85	76.2 Å²	76.2	55%	0.552	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-66.1	145.2	177.1	28.6	-34.2	0	0	0	110.6	P339 S596 F597	P337-P339 WeakPolarHBondContact O-CD 3.45Å; P337-S596 CarbonylContact C-O 3.58Å; P337-S596 VanDerWaalsContact CA-O 3.3Å; P337-S596 WeakPolarHBondContact CA-O 2.89Å; P337-F597 HydrophobicContact CB-CE1 4.18Å
338	R	85.3	Confident	78.4	Confident	89 Å²	89	72.1 Å²	72.1	34%	0.336	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-59.1	127.4	174.6	-177.1	-179.8	-176.7	-165.2	2.9	109.9	N340 N365 S596 Y598 F633	R338-N340 PolarHBondContact O-N 2.87Å; R338-N365 PolarHBondContact NH2-O 3.45Å; R338-S596 PolarHBondContact N-O 3.37Å; R338-Y598 HydrophobicContact CB-CD1 4.42Å; R338-Y598 HydrophobicContact CB-CD2 4.23Å; R338-Y598 HydrophobicContact CB-CE1 3.99Å; R338-Y598 HydrophobicContact CB-CE2 3.74Å; R338-Y598 HydrophobicContact CG-CD1 4.21Å; R338-Y598 HydrophobicContact CG-CE1 3.59Å; R338-Y598 HydrophobicContact CG-CE2 4.26Å; R338-F633 HydrophobicContact CG-CZ 4.37Å
339	P	82.9	Confident	78.2	Confident	39 Å²	39	71.1 Å²	71.1	25%	0.253	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-58.8	135.3	171	-24.7	33.6	0	0	0	112.1	P337 V341 F633	P337-P339 WeakPolarHBondContact O-CD 3.45Å; P339-V341 HydrophobicContact CB-CG2 4.07Å; P339-V341 PolarHBondContact O-N 2.9Å; P339-F633 HydrophobicContact CB-CE2 4.13Å; P339-F633 HydrophobicContact CG-CE2 4.11Å; P339-F633 HydrophobicContact CG-CZ 4.11Å
340	N	74	Confident	77.3	Confident	173 Å²	173	70.7 Å²	70.7	93%	0.925	39%	0.39	S	S	*	.			trans	-76.3	72.9	176.5	-77.6	-21.5	0	0	0	111	R338	R338-N340 PolarHBondContact O-N 2.87Å
341	V	70	Confident	76	Confident	73 Å²	73	66.9 Å²	66.9	44%	0.442	38%	0.379	S	S	.	.			trans	-104.6	106.1	175.2	-174.2	0	0	0	0	108.7	P339 L343 F633	P339-V341 HydrophobicContact CB-CG2 4.07Å; P339-V341 PolarHBondContact O-N 2.9Å; V341-L343 HydrophobicContact CG1-CD1 4.35Å; V341-L343 HydrophobicContact CG1-CG 4.2Å; V341-L343 PolarHBondContact O-N 3.05Å; V341-F633 HydrophobicContact CG2-CD2 4.28Å; V341-F633 HydrophobicContact CG2-CE2 4.45Å
342	S	60	Low	74.4	Confident	123 Å²	123	65.8 Å²	65.8	86%	0.86	38%	0.377	S	S	*	.			trans	-78.7	99.2	175.3	59.6	0	0	0	0	110.3
343	L	67.3	Low	72.7	Confident	78 Å²	78	66.1 Å²	66.1	41%	0.408	38%	0.381	S	S	.	.			trans	-106	131.6	166.5	-75.1	164	0	0	0	109.5	V341 N365 F366	V341-L343 HydrophobicContact CG1-CD1 4.35Å; V341-L343 HydrophobicContact CG1-CG 4.2Å; V341-L343 PolarHBondContact O-N 3.05Å; L343-N365 HydrophobicContact CD1-CB 3.59Å; L343-N365 WeakPolarHBondContact CD1-ND2 3.38Å; L343-F366 HydrophobicContact CB-CE2 4.21Å; L343-F366 HydrophobicContact CB-CZ 4Å
344	S	67	Low	71.1	Confident	51 Å²	51	64.5 Å²	64.5	36%	0.357	38%	0.379	S	S	.	.			trans	-80.5	119.5	172.9	178.7	0	0	0	0	109.4	W346 S347	S344-W346 PolarHBondContact O-N 3.26Å; S344-W346 PolarHBondContact OG-N 2.91Å; S344-S347 PolarHBondContact O-N 3.29Å; S344-S347 PolarHBondContact O-OG 3.46Å; S344-S347 PolarHBondContact OG-N 3.3Å
345	L	64.8	Low	69.4	Low	33 Å²	33	67.8 Å²	67.8	17%	0.173	39%	0.387	C	S	.	.	H	α-helix	trans	-56.8	-36.1	172.5	-178.5	60.7	0	0	0	110.7	I348 M349 M362 F366 I503	L345-I348 PolarHBondContact O-N 2.94Å; L345-M349 HydrophobicContact CD1-CG 4.29Å; L345-M349 HydrophobicContact CD1-SD 4.38Å; L345-M349 HydrophobicContact CD2-CE 4.16Å; L345-M349 HydrophobicContact CD2-SD 4.3Å; L345-M349 HydrophobicContact CG-CE 3.86Å; L345-M349 HydrophobicContact CG-CG 4.27Å; L345-M349 HydrophobicContact CG-SD 4.01Å; L345-M349 WeakPolarHBondContact O-CG 3.46Å; L345-M349 PolarHBondContact O-N 3.39Å; L345-M362 HydrophobicContact CD1-CE 3.27Å; L345-F366 HydrophobicContact CB-CD1 4.46Å; L345-F366 HydrophobicContact CB-CE1 3.65Å; L345-F366 HydrophobicContact CB-CZ 3.94Å; L345-F366 HydrophobicContact CD1-CD1 4.2Å; L345-F366 HydrophobicContact CD1-CE1 4.02Å; L345-F366 HydrophobicContact CD1-CE2 4.45Å; L345-F366 HydrophobicContact CD1-CG 4.5Å; L345-F366 HydrophobicContact CD1-CZ 4.15Å; L345-F366 HydrophobicContact CG-CE1 4.37Å; L345-I503 HydrophobicContact CD2-CG2 4.46Å
346	W	62.3	Low	67.3	Low	15 Å²	15	72.2 Å²	72.2	6%	0.057	41%	0.407	C	S	.	.	H	α-helix	trans	-65.6	-39.1	179.4	178.9	-108.5	0	0	0	112.9	L237 A241 H244 S344 I348 M349 K350 I353 I504	L237-W346 HydrophobicContact CD2-CH2 4.3Å; A241-W346 HydrophobicContact CB-CH2 3.97Å; A241-W346 HydrophobicContact CB-CZ2 3.51Å; H244-W346 AromaticContact CE1-CD1 3.52Å; H244-W346 AromaticContact CE1-NE1 3.99Å; H244-W346 AromaticContact CG-CD1 3.96Å; H244-W346 AromaticContact CG-NE1 3.65Å; H244-W346 AromaticContact ND1-CD1 3.3Å; H244-W346 VanDerWaalsContact ND1-CD1 3.3Å; H244-W346 AromaticContact ND1-NE1 3.33Å; H244-W346 PolarHBondContact ND1-NE1 2.85Å; S344-W346 PolarHBondContact O-N 3.26Å; S344-W346 PolarHBondContact OG-N 2.91Å; W346-I348 PolarHBondContact O-N 3.04Å; W346-M349 HydrophobicContact CE3-CE 4Å; W346-M349 PolarHBondContact O-N 3.43Å; W346-K350 HydrophobicContact CZ2-CB 4.25Å; W346-K350 HydrophobicContact CZ2-CG 4.42Å; W346-K350 WeakPolarHBondContact O-CB 3.42Å; W346-K350 PolarHBondContact O-N 3.29Å; W346-I353 HydrophobicContact CH2-CD1 3.94Å; W346-I353 HydrophobicContact CZ2-CD1 4.41Å; W346-I504 HydrophobicContact CE3-CG2 3.82Å; W346-I504 HydrophobicContact CH2-CG2 4.41Å; W346-I504 HydrophobicContact CZ3-CG2 3.67Å
347	S	66.9	Low	65.3	Low	56 Å²	56	75.5 Å²	75.5	39%	0.392	42%	0.421	S	S	.	.	H	α-helix	trans	-63	-33.6	178.6	62.8	0	0	0	0	111.9	S344	S344-S347 PolarHBondContact O-N 3.29Å; S344-S347 PolarHBondContact O-OG 3.46Å; S344-S347 PolarHBondContact OG-N 3.3Å
348	I	64.4	Low	63.5	Low	32 Å²	32	76.2 Å²	76.2	16%	0.164	43%	0.428	C	S	.	.	H	α-helix	trans	-73.1	-50.4	174.7	-62.7	154.9	0	0	0	110.4	L345 W346 K350 N351 C352 P363 F366	L345-I348 PolarHBondContact O-N 2.94Å; W346-I348 PolarHBondContact O-N 3.04Å; I348-K350 VanDerWaalsContact C-N 3.31Å; I348-K350 PolarHBondContact O-N 2.94Å; I348-N351 PolarHBondContact O-N 3.36Å; I348-C352 PolarHBondContact O-SG 3.21Å; I348-P363 HydrophobicContact CD1-CG 3.71Å; I348-P363 HydrophobicContact CG1-CG 4.46Å; I348-F366 HydrophobicContact CD1-CD2 4.41Å; I348-F366 HydrophobicContact CD1-CE2 3.38Å; I348-F366 HydrophobicContact CD1-CZ 3.91Å
349	M	64.8	Low	62	Low	38 Å²	38	78.2 Å²	78.2	19%	0.187	44%	0.439	C	S	.	.	H	α-helix	trans	-66.7	-29.1	-178.4	-69.8	-169.3	-50.3	0	0	113.4	L345 W346 N351 C352 I353 I503	L345-M349 HydrophobicContact CD1-CG 4.29Å; L345-M349 HydrophobicContact CD1-SD 4.38Å; L345-M349 HydrophobicContact CD2-CE 4.16Å; L345-M349 HydrophobicContact CD2-SD 4.3Å; L345-M349 HydrophobicContact CG-CE 3.86Å; L345-M349 HydrophobicContact CG-CG 4.27Å; L345-M349 HydrophobicContact CG-SD 4.01Å; L345-M349 WeakPolarHBondContact O-CG 3.46Å; L345-M349 PolarHBondContact O-N 3.39Å; W346-M349 HydrophobicContact CE3-CE 4Å; W346-M349 PolarHBondContact O-N 3.43Å; M349-N351 VanDerWaalsContact C-N 3.32Å; M349-N351 PolarHBondContact O-N 2.79Å; M349-C352 WeakPolarHBondContact O-CA 3.5Å; M349-C352 WeakPolarHBondContact O-CB 3.4Å; M349-C352 PolarHBondContact O-N 2.98Å; M349-I353 PolarHBondContact O-N 2.89Å; M349-I503 HydrophobicContact CE-CG2 4.08Å; M349-I503 WeakPolarHBondContact CE-O 3.41Å; M349-I503 HydrophobicContact SD-CG2 4.05Å
350	K	63.9	Low	60.8	Low	81 Å²	81	77.9 Å²	77.9	35%	0.352	44%	0.435	S	S	.	.	H	α-helix	trans	-61.4	-41.1	178.6	179.8	-174.3	166.6	-167.8	0	111.8	S245 W346 I348 C352 I353	S245-K350 WeakPolarHBondContact OG-CE 3.27Å; S245-K350 PolarHBondContact OG-NZ 2.95Å; W346-K350 HydrophobicContact CZ2-CB 4.25Å; W346-K350 HydrophobicContact CZ2-CG 4.42Å; W346-K350 WeakPolarHBondContact O-CB 3.42Å; W346-K350 PolarHBondContact O-N 3.29Å; I348-K350 VanDerWaalsContact C-N 3.31Å; I348-K350 PolarHBondContact O-N 2.94Å; K350-C352 PolarHBondContact O-N 2.93Å; K350-I353 HydrophobicContact CG-CD1 4.45Å; K350-I353 WeakPolarHBondContact O-CG1 3.48Å; K350-I353 PolarHBondContact O-N 3.46Å
351	N	61.4	Low	60.2	Low	121 Å²	121	73.4 Å²	73.4	65%	0.647	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.9	177.2	-65.2	-13.5	0	0	0	112.9	I348 M349	I348-N351 PolarHBondContact O-N 3.36Å; M349-N351 VanDerWaalsContact C-N 3.32Å; M349-N351 PolarHBondContact O-N 2.79Å
352	C	58.7	Low	60.2	Low	11 Å²	11	72.7 Å²	72.7	7%	0.074	41%	0.407	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-7.6	-175.9	-63.3	0	0	0	0	113.3	I348 M349 K350 G354 K355 I360	I348-C352 PolarHBondContact O-SG 3.21Å; M349-C352 WeakPolarHBondContact O-CA 3.5Å; M349-C352 WeakPolarHBondContact O-CB 3.4Å; M349-C352 PolarHBondContact O-N 2.98Å; K350-C352 PolarHBondContact O-N 2.93Å; C352-G354 PolarHBondContact O-N 2.84Å; C352-K355 WeakPolarHBondContact O-CB 3.29Å; C352-K355 PolarHBondContact O-N 3.21Å; C352-I360 HydrophobicContact CB-CD1 3.27Å; C352-I360 HydrophobicContact CB-CG1 4.05Å; C352-I360 WeakPolarHBondContact SG-CD1 3.46Å; C352-I360 WeakPolarHBondContact SG-CG1 3.29Å; C352-I360 WeakPolarHBondContact SG-CG2 3.33Å
353	I	57.6	Low	60.7	Low	49 Å²	49	68.2 Å²	68.2	25%	0.251	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	127.5	177.5	-58.5	174.7	0	0	0	108.2	L237 A241 W346 M349 K350 K355	L237-I353 HydrophobicContact CB-CG2 4.49Å; L237-I353 HydrophobicContact CD2-CD1 3.64Å; L237-I353 HydrophobicContact CD2-CG1 3.81Å; L237-I353 HydrophobicContact CD2-CG2 4.29Å; A241-I353 HydrophobicContact CB-CD1 3.73Å; W346-I353 HydrophobicContact CH2-CD1 3.94Å; W346-I353 HydrophobicContact CZ2-CD1 4.41Å; M349-I353 PolarHBondContact O-N 2.89Å; K350-I353 HydrophobicContact CG-CD1 4.45Å; K350-I353 WeakPolarHBondContact O-CG1 3.48Å; K350-I353 PolarHBondContact O-N 3.46Å; I353-K355 VanDerWaalsContact C-N 3.33Å
354	G	56.6	Low	61.4	Low	58 Å²	58	64.5 Å²	64.5	60%	0.598	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	-10.4	-174.8	0	0	0	0	0	115	C352	C352-G354 PolarHBondContact O-N 2.84Å
355	K	57.1	Low	62	Low	146 Å²	146	62.6 Å²	62.6	64%	0.635	34%	0.342	S	S	*	.	S	Bend	trans	-96.2	156.4	173.1	-61	-175.7	-179	-177.8	0	110.9	C352 I353 L357 I360	C352-K355 WeakPolarHBondContact O-CB 3.29Å; C352-K355 PolarHBondContact O-N 3.21Å; I353-K355 VanDerWaalsContact C-N 3.33Å; K355-L357 PolarHBondContact O-N 2.97Å; K355-L357 VanDerWaalsContact O-N 3.12Å; K355-I360 HydrophobicContact CB-CD1 4.12Å
356	E	49.2	Very low	62.7	Low	103 Å²	103	63.2 Å²	63.2	48%	0.481	34%	0.343	S	S	.	.			trans	-64.6	112.6	170.2	-70	-172	145.1	0	0	110.4	S358 K359	E356-S358 PolarHBondContact O-N 2.83Å; E356-K359 HydrophobicContact CB-CD 4.38Å; E356-K359 HydrophobicContact CB-CG 4.48Å; E356-K359 PolarHBondContact O-N 2.8Å; E356-K359 WeakPolarHBondContact OE2-CD 3.3Å; E356-K359 WeakPolarHBondContact OE2-CE 3.45Å; E356-K359 IonicContact OE2-NZ 3.4Å; E356-K359 PolarHBondContact OE2-NZ 3.04Å
357	L	49.4	Very low	63.9	Low	132 Å²	132	63 Å²	63	69%	0.691	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-52.2	-27.8	178.6	-71.3	172.8	0	0	0	113.7	K355 K359 I360	K355-L357 PolarHBondContact O-N 2.97Å; K355-L357 VanDerWaalsContact O-N 3.12Å; L357-K359 VanDerWaalsContact C-N 3.28Å; L357-K359 PolarHBondContact O-N 2.81Å; L357-I360 HydrophobicContact CD2-CD1 4.36Å; L357-I360 PolarHBondContact O-N 3.32Å
358	S	50.6	Low	65	Low	100 Å²	100	60.5 Å²	60.5	70%	0.699	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-67.6	-22.8	178.8	54.3	0	0	0	0	114.1	E356	E356-S358 PolarHBondContact O-N 2.83Å
359	K	53.5	Low	66.4	Low	131 Å²	131	59 Å²	59	57%	0.57	32%	0.318	S	S	*	.	G	3₁₀ helix	trans	-94	-7.3	-178.1	-71	177.3	174.1	151	0	113.5	E356 L357 P361	E356-K359 HydrophobicContact CB-CD 4.38Å; E356-K359 HydrophobicContact CB-CG 4.48Å; E356-K359 PolarHBondContact O-N 2.8Å; E356-K359 WeakPolarHBondContact OE2-CD 3.3Å; E356-K359 WeakPolarHBondContact OE2-CE 3.45Å; E356-K359 IonicContact OE2-NZ 3.4Å; E356-K359 PolarHBondContact OE2-NZ 3.04Å; L357-K359 VanDerWaalsContact C-N 3.28Å; L357-K359 PolarHBondContact O-N 2.81Å; K359-P361 WeakPolarHBondContact O-CD 3.39Å
360	I	58	Low	67.8	Low	32 Å²	32	57.2 Å²	57.2	16%	0.164	31%	0.309	C	S	.	.	S	Bend	trans	-87.7	116.4	-177.6	-69.7	135.8	0	0	0	110	C352 K355 L357 M362	C352-I360 HydrophobicContact CB-CD1 3.27Å; C352-I360 HydrophobicContact CB-CG1 4.05Å; C352-I360 WeakPolarHBondContact SG-CD1 3.46Å; C352-I360 WeakPolarHBondContact SG-CG1 3.29Å; C352-I360 WeakPolarHBondContact SG-CG2 3.33Å; K355-I360 HydrophobicContact CB-CD1 4.12Å; L357-I360 HydrophobicContact CD2-CD1 4.36Å; L357-I360 PolarHBondContact O-N 3.32Å; I360-M362 PolarHBondContact O-N 2.77Å; I360-M362 VanDerWaalsContact O-N 3.14Å
361	P	61.1	Low	69.3	Low	78 Å²	78	53.3 Å²	53.3	51%	0.506	29%	0.292	S	S	.	.			trans	-69.8	112.3	175.4	28	-31.7	0	0	0	109.5	K359	K359-P361 WeakPolarHBondContact O-CD 3.39Å
362	M	69	Low	70.8	Confident	58 Å²	58	49.4 Å²	49.4	29%	0.286	27%	0.27	S	S	.	.			trans	-68.1	128.6	171.8	-74	-57	-58.9	0	0	110.2	L345 I360 F366 K640	L345-M362 HydrophobicContact CD1-CE 3.27Å; I360-M362 PolarHBondContact O-N 2.77Å; I360-M362 VanDerWaalsContact O-N 3.14Å; M362-F366 HydrophobicContact CE-CD2 4.16Å; M362-F366 HydrophobicContact CE-CG 4.38Å; M362-K640 PolarHBondContact O-NZ 3.08Å
363	P	71.5	Confident	72.6	Confident	29 Å²	29	48.9 Å²	48.9	19%	0.188	27%	0.266	C	S	.	.			trans	-59.8	146.3	177	-26.8	36.6	0	0	0	112.7	I348 N365 F366	I348-P363 HydrophobicContact CD1-CG 3.71Å; I348-P363 HydrophobicContact CG1-CG 4.46Å; P363-N365 PolarHBondContact O-N 2.78Å; P363-N365 VanDerWaalsContact O-N 3.08Å; P363-F366 HydrophobicContact CB-CD2 4.4Å; P363-F366 PolarHBondContact O-N 3.28Å
364	V	81.2	Confident	74.5	Confident	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-60.4	-20.4	179.7	-61.9	0	0	0	0	113.2	F366 N367 F421 M628 F633 A636 N637 K640	V364-F366 PolarHBondContact O-N 2.93Å; V364-F366 VanDerWaalsContact O-N 3.08Å; V364-N367 VanDerWaalsContact O-CB 3.3Å; V364-N367 WeakPolarHBondContact O-CB 3.2Å; V364-N367 PolarHBondContact O-N 2.98Å; V364-F421 HydrophobicContact CB-CZ 4.42Å; V364-F421 HydrophobicContact CG1-CE1 4.11Å; V364-F421 HydrophobicContact CG1-CZ 4.19Å; V364-M628 HydrophobicContact CB-SD 4.16Å; V364-M628 WeakPolarHBondContact O-CE 3.21Å; V364-F633 HydrophobicContact CG2-CB 4.32Å; V364-F633 HydrophobicContact CG2-CD1 4.48Å; V364-A636 HydrophobicContact CG2-CB 4.06Å; V364-N637 WeakPolarHBondContact CG1-OD1 3.5Å; V364-N637 VanDerWaalsContact CG2-OD1 3.3Å; V364-N637 WeakPolarHBondContact CG2-OD1 3.45Å; V364-N637 PolarHBondContact N-OD1 3.08Å; V364-K640 HydrophobicContact CG1-CB 4.34Å; V364-K640 HydrophobicContact CG1-CD 3.63Å
365	N	81	Confident	76.2	Confident	12 Å²	12	45.4 Å²	45.4	6%	0.064	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-60.7	-21.5	-178.8	-56	56.4	0	0	0	113.9	R338 L343 P363 F633	R338-N365 PolarHBondContact NH2-O 3.45Å; L343-N365 HydrophobicContact CD1-CB 3.59Å; L343-N365 WeakPolarHBondContact CD1-ND2 3.38Å; P363-N365 PolarHBondContact O-N 2.78Å; P363-N365 VanDerWaalsContact O-N 3.08Å; N365-F633 WeakPolarHBondContact ND2-CD2 3.31Å
366	F	79	Confident	78	Confident	45 Å²	45	38.7 Å²	38.7	20%	0.197	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-90.8	-5.7	175.3	-65.2	-82.9	0	0	0	113.4	L343 L345 I348 M362 P363 V364 G418 K419	L343-F366 HydrophobicContact CB-CE2 4.21Å; L343-F366 HydrophobicContact CB-CZ 4Å; L345-F366 HydrophobicContact CB-CD1 4.46Å; L345-F366 HydrophobicContact CB-CE1 3.65Å; L345-F366 HydrophobicContact CB-CZ 3.94Å; L345-F366 HydrophobicContact CD1-CD1 4.2Å; L345-F366 HydrophobicContact CD1-CE1 4.02Å; L345-F366 HydrophobicContact CD1-CE2 4.45Å; L345-F366 HydrophobicContact CD1-CG 4.5Å; L345-F366 HydrophobicContact CD1-CZ 4.15Å; L345-F366 HydrophobicContact CG-CE1 4.37Å; I348-F366 HydrophobicContact CD1-CD2 4.41Å; I348-F366 HydrophobicContact CD1-CE2 3.38Å; I348-F366 HydrophobicContact CD1-CZ 3.91Å; M362-F366 HydrophobicContact CE-CD2 4.16Å; M362-F366 HydrophobicContact CE-CG 4.38Å; P363-F366 HydrophobicContact CB-CD2 4.4Å; P363-F366 PolarHBondContact O-N 3.28Å; V364-F366 PolarHBondContact O-N 2.93Å; V364-F366 VanDerWaalsContact O-N 3.08Å; F366-G418 WeakPolarHBondContact O-CA 3.44Å; F366-K419 PolarHBondContact O-N 3.41Å
367	N	86.4	Confident	80.2	Confident	11 Å²	11	33.8 Å²	33.8	6%	0.059	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	169	179	-71	9.1	0	0	0	111.6	V364 K419 F421 M628	V364-N367 VanDerWaalsContact O-CB 3.3Å; V364-N367 WeakPolarHBondContact O-CB 3.2Å; V364-N367 PolarHBondContact O-N 2.98Å; N367-K419 CarbonylContact C-O 3.57Å; N367-K419 WeakPolarHBondContact CA-O 3.28Å; N367-K419 WeakPolarHBondContact CB-O 3.43Å; N367-K419 VanDerWaalsContact CG-O 3.3Å; N367-K419 PolarHBondContact OD1-O 3.42Å; N367-F421 HydrophobicContact CB-CD2 4.35Å; N367-F421 HydrophobicContact CB-CE2 3.99Å; N367-F421 HydrophobicContact CB-CZ 4.39Å; N367-M628 HydrophobicContact CB-CE 3.85Å; N367-M628 HydrophobicContact CB-SD 3.8Å; N367-M628 WeakPolarHBondContact O-CE 3.34Å
368	E	90.2	Very high	82.4	Confident	4 Å²	4	27.8 Å²	27.8	2%	0.019	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	152.8	156.6	55.5	-173.5	-159.6	0	0	109.1	L370 R375 R416 K419 P420 F421	E368-L370 PolarHBondContact O-N 2.92Å; E368-R375 WeakPolarHBondContact OE1-CD 3.44Å; E368-R375 WeakPolarHBondContact OE1-CG 3.45Å; E368-R375 IonicContact OE1-CZ 3.57Å; E368-R375 IonicContact OE1-NE 3.77Å; E368-R375 PolarHBondContact OE1-NE 3.3Å; E368-R416 IonicContact OE1-CZ 2.76Å; E368-R416 IonicContact OE1-NH2 3.7Å; E368-R416 PolarHBondContact OE1-NH2 3.36Å; E368-R416 VanDerWaalsContact OE1-NH2 3.1Å; E368-R416 IonicContact OE2-CZ 3.8Å; E368-R416 IonicContact OE2-NE 3.36Å; E368-R416 PolarHBondContact OE2-NE 3.41Å; E368-R416 IonicContact OE2-NH2 3.43Å; E368-R416 PolarHBondContact OE2-NH2 2.84Å; E368-K419 PolarHBondContact N-O 3.26Å; E368-K419 VanDerWaalsContact N-O 3.08Å; E368-P420 HydrophobicContact CG-CB 4.11Å; E368-F421 WeakPolarHBondContact O-CD2 3.42Å; E368-F421 WeakPolarHBondContact O-CE2 3.18Å
369	P	93.9	Very high	84.5	Confident	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	39.9	-175.4	33.3	-37.1	0	0	0	113.2	I335 Y598 L600 N608 E629	I335-P369 HydrophobicContact CD1-CG 4.27Å; P369-Y598 HydrophobicContact CG-CD2 4.04Å; P369-Y598 HydrophobicContact CG-CE2 4.11Å; P369-Y598 HydrophobicContact CG-CG 4.34Å; P369-L600 HydrophobicContact CG-CD1 4.3Å; P369-N608 PolarHBondContact O-ND2 2.79Å; P369-E629 HydrophobicContact CB-CB 3.77Å; P369-E629 HydrophobicContact CB-CG 4.11Å; P369-E629 HydrophobicContact CG-CG 4.42Å
370	L	95.8	Very high	86.6	Confident	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	145.4	176.1	-63.1	-174.8	0	0	0	110.3	E368 Q374 R416 P420 F421 L600 A604 L607 N608	E368-L370 PolarHBondContact O-N 2.92Å; L370-Q374 HydrophobicContact CB-CB 4.24Å; L370-Q374 HydrophobicContact CD2-CB 4.33Å; L370-R416 VanDerWaalsContact CD1-NH2 3.34Å; L370-P420 CarbonylContact O-C 3.56Å; L370-P420 WeakPolarHBondContact O-CA 3.29Å; L370-P420 WeakPolarHBondContact O-CB 3.37Å; L370-F421 PolarHBondContact O-N 3.24Å; L370-L600 HydrophobicContact CD1-CD2 4.22Å; L370-A604 HydrophobicContact CD1-CB 4.37Å; L370-L607 HydrophobicContact CD1-CD1 4.41Å; L370-L607 HydrophobicContact CD2-CB 4.27Å; L370-N608 HydrophobicContact CD2-CB 3.7Å
371	S	95.3	Very high	88.3	Confident	0 Å²	0	16.5 Å²	16.5	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	154.2	166.5	174.8	0	0	0	0	110.5	L373 Q374 R375 E427 S619	S371-L373 PolarHBondContact O-N 2.89Å; S371-L373 PolarHBondContact OG-N 3Å; S371-Q374 WeakPolarHBondContact O-CB 3.46Å; S371-Q374 PolarHBondContact O-N 3.02Å; S371-R375 PolarHBondContact O-N 3.21Å; S371-E427 VanDerWaalsContact CB-OE1 3.25Å; S371-E427 WeakPolarHBondContact CB-OE1 3.33Å; S371-E427 PolarHBondContact OG-OE1 2.89Å; S371-S619 PolarHBondContact OG-OG 2.89Å
372	M	92.8	Very high	89.9	Confident	38 Å²	38	13.1 Å²	13.1	19%	0.187	6%	0.064	C	C	.	.	H	α-helix	trans	-57.7	-29.3	171.2	-175.1	63.2	75	0	0	111.6	R375 L376 P420 F421 P423	M372-R375 PolarHBondContact O-N 3.26Å; M372-R375 HydrophobicContact SD-CB 4.24Å; M372-L376 WeakPolarHBondContact O-CG 3.28Å; M372-L376 PolarHBondContact O-N 3.33Å; M372-P420 HydrophobicContact CB-CG 4.4Å; M372-P420 HydrophobicContact CE-CG 3.5Å; M372-P420 HydrophobicContact SD-CG 4.01Å; M372-F421 PolarHBondContact N-O 3.4Å; M372-P423 HydrophobicContact CB-CG 3.58Å
373	L	95.8	Very high	91.2	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-63.4	-42.2	175.1	-62.6	-172.6	0	0	0	111.7	S371 L376 T377 P423 E427 A453	S371-L373 PolarHBondContact O-N 2.89Å; S371-L373 PolarHBondContact OG-N 3Å; L373-L376 HydrophobicContact CD2-CD1 4.31Å; L373-L376 WeakPolarHBondContact O-CB 3.32Å; L373-L376 PolarHBondContact O-N 2.96Å; L373-T377 PolarHBondContact O-N 3.31Å; L373-P423 HydrophobicContact CD1-CB 4.18Å; L373-P423 HydrophobicContact CD2-CB 4.25Å; L373-P423 HydrophobicContact CD2-CG 3.99Å; L373-P423 HydrophobicContact CG-CB 3.82Å; L373-P423 HydrophobicContact CG-CG 3.71Å; L373-E427 HydrophobicContact CD1-CB 4.06Å; L373-E427 HydrophobicContact CD1-CG 3.9Å; L373-E427 VanDerWaalsContact CD1-O 3.26Å; L373-E427 WeakPolarHBondContact CD1-O 3.3Å; L373-A453 HydrophobicContact CD2-CB 3.73Å
374	Q	97.5	Very high	92.3	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-64	-41	172.6	-72.1	164.4	-58.5	0	0	111.3	L370 S371 L376 T377 E378 Y429 L607 N608	L370-Q374 HydrophobicContact CB-CB 4.24Å; L370-Q374 HydrophobicContact CD2-CB 4.33Å; S371-Q374 WeakPolarHBondContact O-CB 3.46Å; S371-Q374 PolarHBondContact O-N 3.02Å; Q374-L376 VanDerWaalsContact C-N 3.26Å; Q374-L376 PolarHBondContact O-N 2.87Å; Q374-T377 CarbonylContact O-C 3.48Å; Q374-T377 PolarHBondContact O-N 2.87Å; Q374-T377 VanDerWaalsContact O-N 3.11Å; Q374-E378 PolarHBondContact O-N 3Å; Q374-Y429 HydrophobicContact CB-CD1 4.4Å; Q374-Y429 HydrophobicContact CB-CE1 4.26Å; Q374-Y429 HydrophobicContact CG-CD1 3.79Å; Q374-Y429 HydrophobicContact CG-CD2 3.59Å; Q374-Y429 HydrophobicContact CG-CE1 3.72Å; Q374-Y429 HydrophobicContact CG-CE2 3.53Å; Q374-Y429 HydrophobicContact CG-CG 3.73Å; Q374-L607 HydrophobicContact CB-CB 4.4Å; Q374-L607 HydrophobicContact CB-CD1 4.48Å; Q374-L607 PolarHBondContact NE2-O 2.8Å; Q374-L607 WeakPolarHBondContact O-CD1 3.31Å; Q374-N608 PolarHBondContact NE2-OD1 3.08Å; Q374-N608 VanDerWaalsContact NE2-OD1 3.08Å
375	R	92.9	Very high	93	Very high	35 Å²	35	13.7 Å²	13.7	13%	0.132	6%	0.064	C	C	.	.	H	α-helix	trans	-62.6	-30.3	174.6	-70.6	-69	-90.2	143.3	1.8	113.6	E368 S371 M372 E378 T412 P420	E368-R375 WeakPolarHBondContact OE1-CD 3.44Å; E368-R375 WeakPolarHBondContact OE1-CG 3.45Å; E368-R375 IonicContact OE1-CZ 3.57Å; E368-R375 IonicContact OE1-NE 3.77Å; E368-R375 PolarHBondContact OE1-NE 3.3Å; S371-R375 PolarHBondContact O-N 3.21Å; M372-R375 PolarHBondContact O-N 3.26Å; M372-R375 HydrophobicContact SD-CB 4.24Å; R375-E378 VanDerWaalsContact CD-OE2 3.22Å; R375-E378 WeakPolarHBondContact CD-OE2 3.43Å; R375-E378 IonicContact CZ-OE2 3.79Å; R375-E378 IonicContact NE-OE2 2.8Å; R375-E378 IonicContact NH1-OE1 2.83Å; R375-E378 PolarHBondContact NH1-OE1 3.46Å; R375-E378 IonicContact NH1-OE2 3.73Å; R375-E378 PolarHBondContact NH1-OE2 3.5Å; R375-E378 WeakPolarHBondContact O-CB 3.4Å; R375-E378 PolarHBondContact O-N 2.93Å; R375-T412 PolarHBondContact NH1-OG1 3.38Å; R375-P420 HydrophobicContact CG-CB 3.75Å; R375-P420 HydrophobicContact CG-CG 3.98Å
376	L	93.3	Very high	93.7	Very high	4 Å²	4	13.2 Å²	13.2	2%	0.021	6%	0.062	C	C	.	.	H	α-helix	trans	-68	-39.6	172.8	-70.5	172.4	0	0	0	112.2	M372 L373 Q374 E378 D379 A453 L455 R468	M372-L376 WeakPolarHBondContact O-CG 3.28Å; M372-L376 PolarHBondContact O-N 3.33Å; L373-L376 HydrophobicContact CD2-CD1 4.31Å; L373-L376 WeakPolarHBondContact O-CB 3.32Å; L373-L376 PolarHBondContact O-N 2.96Å; Q374-L376 VanDerWaalsContact C-N 3.26Å; Q374-L376 PolarHBondContact O-N 2.87Å; L376-E378 VanDerWaalsContact C-N 3.31Å; L376-D379 WeakPolarHBondContact O-CB 3.37Å; L376-A453 HydrophobicContact CD1-CB 3.61Å; L376-L455 HydrophobicContact CB-CD1 3.73Å; L376-R468 HydrophobicContact CD2-CG 4.33Å
377	T	96.7	Very high	94.5	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-70	-29.2	173.5	-61.8	0	0	0	0	111.7	L373 Q374 D379 L380 Y429 C431 W439 S441 L607	L373-T377 PolarHBondContact O-N 3.31Å; Q374-T377 CarbonylContact O-C 3.48Å; Q374-T377 PolarHBondContact O-N 2.87Å; Q374-T377 VanDerWaalsContact O-N 3.11Å; T377-D379 PolarHBondContact O-N 3.47Å; T377-D379 VanDerWaalsContact O-N 3.15Å; T377-L380 HydrophobicContact CG2-CD1 4.48Å; T377-L380 VanDerWaalsContact O-CB 3.3Å; T377-L380 WeakPolarHBondContact O-CB 3.45Å; T377-L380 PolarHBondContact O-N 3.28Å; T377-Y429 HydrophobicContact CG2-CE1 3.93Å; T377-Y429 WeakPolarHBondContact OG1-CD1 3.16Å; T377-Y429 WeakPolarHBondContact OG1-CE1 3.37Å; T377-C431 HydrophobicContact CG2-CB 3.69Å; T377-W439 HydrophobicContact CG2-CH2 3.89Å; T377-W439 HydrophobicContact CG2-CZ3 4.1Å; T377-S441 WeakPolarHBondContact CG2-OG 3.42Å; T377-L607 HydrophobicContact CG2-CD2 4.01Å
378	E	95.7	Very high	94.9	Very high	6 Å²	6	13.7 Å²	13.7	3%	0.028	6%	0.062	C	C	.	.	H	α-helix	trans	-57.4	-29.3	177.2	-163.1	179.6	136.7	0	0	113.1	Q374 R375 L376 L380 E381 T412 R416 F603 A604 L607	Q374-E378 PolarHBondContact O-N 3Å; R375-E378 VanDerWaalsContact CD-OE2 3.22Å; R375-E378 WeakPolarHBondContact CD-OE2 3.43Å; R375-E378 IonicContact CZ-OE2 3.79Å; R375-E378 IonicContact NE-OE2 2.8Å; R375-E378 IonicContact NH1-OE1 2.83Å; R375-E378 PolarHBondContact NH1-OE1 3.46Å; R375-E378 IonicContact NH1-OE2 3.73Å; R375-E378 PolarHBondContact NH1-OE2 3.5Å; R375-E378 WeakPolarHBondContact O-CB 3.4Å; R375-E378 PolarHBondContact O-N 2.93Å; L376-E378 VanDerWaalsContact C-N 3.31Å; E378-L380 PolarHBondContact O-N 3.41Å; E378-E381 WeakPolarHBondContact O-CB 3.42Å; E378-E381 PolarHBondContact O-N 3.29Å; E378-T412 WeakPolarHBondContact OE1-CB 3.37Å; E378-T412 WeakPolarHBondContact OE1-CG2 3.44Å; E378-T412 PolarHBondContact OE1-OG1 3.28Å; E378-R416 IonicContact OE1-CZ 3.25Å; E378-R416 IonicContact OE1-NH1 2.77Å; E378-R416 PolarHBondContact OE1-NH1 2.98Å; E378-R416 IonicContact OE2-CZ 2.79Å; E378-R416 IonicContact OE2-NH1 2.66Å; E378-R416 PolarHBondContact OE2-NH1 3.3Å; E378-R416 IonicContact OE2-NH2 2.76Å; E378-F603 HydrophobicContact CG-CD1 4.24Å; E378-A604 HydrophobicContact CG-CB 4.49Å; E378-L607 HydrophobicContact CB-CD1 3.8Å; E378-L607 HydrophobicContact CG-CD1 4.11Å
379	D	94.3	Very high	95.2	Very high	12 Å²	12	13.5 Å²	13.5	6%	0.064	6%	0.061	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-17.8	172.7	-71.2	-7.3	0	0	0	113.3	L376 T377 F405 S409 K466 K495	L376-D379 WeakPolarHBondContact O-CB 3.37Å; T377-D379 PolarHBondContact O-N 3.47Å; T377-D379 VanDerWaalsContact O-N 3.15Å; D379-F405 VanDerWaalsContact O-CE2 3.25Å; D379-F405 WeakPolarHBondContact O-CE2 3.34Å; D379-S409 WeakPolarHBondContact OD1-CB 3.42Å; D379-K466 VanDerWaalsContact CG-NZ 3.31Å; D379-K466 IonicContact OD2-NZ 3.46Å; D379-K466 PolarHBondContact OD2-NZ 3Å; D379-K495 IonicContact OD1-NZ 3.26Å; D379-K495 PolarHBondContact OD1-NZ 3.14Å; D379-K495 WeakPolarHBondContact OD2-CE 3.22Å; D379-K495 IonicContact OD2-NZ 4Å; D379-K495 PolarHBondContact OD2-NZ 3.27Å
380	L	96.4	Very high	95.3	Very high	1 Å²	1	14.5 Å²	14.5	1%	0.005	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.4	4.6	176.7	-66.7	166.3	0	0	0	114	T377 E378 Y382 S383 F405 W439 A457 W462 L464	T377-L380 HydrophobicContact CG2-CD1 4.48Å; T377-L380 VanDerWaalsContact O-CB 3.3Å; T377-L380 WeakPolarHBondContact O-CB 3.45Å; T377-L380 PolarHBondContact O-N 3.28Å; E378-L380 PolarHBondContact O-N 3.41Å; L380-Y382 PolarHBondContact O-N 3.05Å; L380-Y382 VanDerWaalsContact O-N 3.09Å; L380-S383 VanDerWaalsContact O-CB 3.28Å; L380-S383 WeakPolarHBondContact O-CB 3.41Å; L380-S383 PolarHBondContact O-N 2.99Å; L380-F405 HydrophobicContact CD2-CE2 4.36Å; L380-F405 HydrophobicContact CD2-CZ 4.06Å; L380-W439 HydrophobicContact CB-CH2 3.9Å; L380-W439 HydrophobicContact CB-CZ2 3.67Å; L380-W439 HydrophobicContact CB-CZ3 4.44Å; L380-W439 HydrophobicContact CD1-CD2 4.3Å; L380-W439 HydrophobicContact CD1-CE3 3.82Å; L380-W439 HydrophobicContact CD1-CH2 3.94Å; L380-W439 HydrophobicContact CD1-CZ2 4.36Å; L380-W439 HydrophobicContact CD1-CZ3 3.64Å; L380-A457 HydrophobicContact CD1-CB 3.67Å; L380-W462 HydrophobicContact CD2-CH2 3.83Å; L380-W462 HydrophobicContact CD2-CZ3 4.21Å; L380-L464 HydrophobicContact CD2-CD2 3.61Å; L380-L464 HydrophobicContact CG-CD2 4.37Å
381	E	94.9	Very high	95.1	Very high	13 Å²	13	17.4 Å²	17.4	6%	0.061	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-35.9	177.4	-177.6	167.7	-145.6	0	0	112.3	E378 L590 T601 F603	E378-E381 WeakPolarHBondContact O-CB 3.42Å; E378-E381 PolarHBondContact O-N 3.29Å; E381-L590 HydrophobicContact CG-CD1 4.35Å; E381-T601 WeakPolarHBondContact OE1-CB 3.46Å; E381-T601 WeakPolarHBondContact OE1-CG2 3.41Å; E381-T601 PolarHBondContact OE1-OG1 3.15Å; E381-F603 HydrophobicContact CB-CB 4.49Å; E381-F603 HydrophobicContact CB-CD1 3.53Å; E381-F603 HydrophobicContact CB-CE1 3.94Å; E381-F603 HydrophobicContact CB-CG 4.19Å; E381-F603 HydrophobicContact CG-CB 3.87Å; E381-F603 HydrophobicContact CG-CD1 3.87Å; E381-F603 HydrophobicContact CG-CG 4.08Å; E381-F603 WeakPolarHBondContact OE1-CB 3.09Å
382	Y	95	Very high	95	Very high	7 Å²	7	18.4 Å²	18.4	3%	0.027	9%	0.09	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	32.4	179.3	-57.5	-88.7	0	0	0	112.5	L380 Q384 V385 F587 L590	L380-Y382 PolarHBondContact O-N 3.05Å; L380-Y382 VanDerWaalsContact O-N 3.09Å; Y382-Q384 PolarHBondContact O-N 3.46Å; Y382-Q384 VanDerWaalsContact O-N 3.07Å; Y382-V385 WeakPolarHBondContact O-CB 3.11Å; Y382-V385 WeakPolarHBondContact O-CG2 3.21Å; Y382-V385 PolarHBondContact O-N 3.34Å; Y382-F587 AromaticContact CD1-CD2 3.72Å; Y382-F587 HydrophobicContact CD1-CD2 3.72Å; Y382-F587 AromaticContact CD1-CE2 3.42Å; Y382-F587 HydrophobicContact CD1-CE2 3.42Å; Y382-F587 VanDerWaalsContact CD1-CE2 3.42Å; Y382-F587 AromaticContact CD2-CE2 3.77Å; Y382-F587 HydrophobicContact CD2-CE2 3.77Å; Y382-F587 HydrophobicContact CE1-CD2 4.08Å; Y382-F587 AromaticContact CE1-CE2 3.44Å; Y382-F587 HydrophobicContact CE1-CE2 3.44Å; Y382-F587 VanDerWaalsContact CE1-CE2 3.44Å; Y382-F587 HydrophobicContact CE1-CZ 4.42Å; Y382-F587 AromaticContact CE2-CE2 3.82Å; Y382-F587 HydrophobicContact CE2-CE2 3.82Å; Y382-F587 HydrophobicContact CE2-CZ 4.39Å; Y382-F587 AromaticContact CG-CD2 3.97Å; Y382-F587 HydrophobicContact CG-CD2 3.97Å; Y382-F587 AromaticContact CG-CE2 3.58Å; Y382-F587 HydrophobicContact CG-CE2 3.58Å; Y382-F587 AromaticContact CZ-CE2 3.66Å; Y382-L590 HydrophobicContact CE1-CD1 4.15Å; Y382-L590 HydrophobicContact CE1-CG 3.8Å; Y382-L590 PolarHBondContact OH-N 3.47Å
383	S	95.7	Very high	94.8	Very high	5 Å²	5	20.7 Å²	20.7	4%	0.035	12%	0.123	C	C	.	.	H	α-helix	trans	-52.8	-30.5	-179.4	63.7	0	0	0	0	113.8	L380 V385 V386 D387 W439	L380-S383 VanDerWaalsContact O-CB 3.28Å; L380-S383 WeakPolarHBondContact O-CB 3.41Å; L380-S383 PolarHBondContact O-N 2.99Å; S383-V385 PolarHBondContact O-N 3.14Å; S383-V385 VanDerWaalsContact O-N 3.1Å; S383-V386 WeakPolarHBondContact O-CA 3.49Å; S383-V386 VanDerWaalsContact O-CB 3.28Å; S383-V386 WeakPolarHBondContact O-CB 3.43Å; S383-V386 PolarHBondContact O-N 2.96Å; S383-D387 PolarHBondContact O-N 2.91Å; S383-D387 VanDerWaalsContact O-N 3.07Å; S383-W439 VanDerWaalsContact OG-CD1 3.26Å; S383-W439 PolarHBondContact OG-NE1 3.03Å
384	Q	94.1	Very high	94.6	Very high	88 Å²	88	23.6 Å²	23.6	41%	0.411	14%	0.138	S	C	.	.	H	α-helix	trans	-54.9	-26	174.2	66.2	-158.6	7	0	0	114.1	Y382 V386 D387 R388	Y382-Q384 PolarHBondContact O-N 3.46Å; Y382-Q384 VanDerWaalsContact O-N 3.07Å; Q384-V386 VanDerWaalsContact C-N 3.31Å; Q384-D387 WeakPolarHBondContact CA-OD2 3.39Å; Q384-D387 PolarHBondContact O-N 3.18Å; Q384-R388 WeakPolarHBondContact O-CG 3.17Å; Q384-R388 PolarHBondContact O-N 3.04Å
385	V	95.8	Very high	94.6	Very high	6 Å²	6	24.8 Å²	24.8	4%	0.036	15%	0.146	C	C	.	.	H	α-helix	trans	-66.3	-38.2	173.3	179.7	0	0	0	0	110.2	Y382 S383 R388 A389 Y401 A404 F405 F587	Y382-V385 WeakPolarHBondContact O-CB 3.11Å; Y382-V385 WeakPolarHBondContact O-CG2 3.21Å; Y382-V385 PolarHBondContact O-N 3.34Å; S383-V385 PolarHBondContact O-N 3.14Å; S383-V385 VanDerWaalsContact O-N 3.1Å; V385-R388 PolarHBondContact O-N 2.55Å; V385-A389 PolarHBondContact O-N 3.1Å; V385-Y401 HydrophobicContact CG1-CD1 4.1Å; V385-Y401 VanDerWaalsContact CG1-O 3.28Å; V385-Y401 WeakPolarHBondContact CG1-O 3.42Å; V385-A404 HydrophobicContact CG1-CB 3.99Å; V385-F405 HydrophobicContact CB-CB 4.44Å; V385-F405 HydrophobicContact CG1-CB 4.14Å; V385-F587 HydrophobicContact CG2-CB 4.41Å
386	V	96.4	Very high	94.7	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.012	14%	0.142	C	C	.	.	H	α-helix	trans	-72.4	-36.9	174.9	-171.4	0	0	0	0	110.9	S383 Q384 R388 A389 A390 F405 W462 L482 F484	S383-V386 WeakPolarHBondContact O-CA 3.49Å; S383-V386 VanDerWaalsContact O-CB 3.28Å; S383-V386 WeakPolarHBondContact O-CB 3.43Å; S383-V386 PolarHBondContact O-N 2.96Å; Q384-V386 VanDerWaalsContact C-N 3.31Å; V386-R388 VanDerWaalsContact C-N 3.28Å; V386-R388 PolarHBondContact O-N 3.18Å; V386-A389 VanDerWaalsContact O-CB 3.3Å; V386-A389 WeakPolarHBondContact O-CB 3.48Å; V386-A389 PolarHBondContact O-N 3.32Å; V386-A389 VanDerWaalsContact O-N 3.13Å; V386-A390 PolarHBondContact O-N 3.47Å; V386-F405 HydrophobicContact CG2-CB 3.86Å; V386-F405 HydrophobicContact CG2-CD1 3.67Å; V386-F405 HydrophobicContact CG2-CD2 3.41Å; V386-F405 VanDerWaalsContact CG2-CD2 3.41Å; V386-F405 HydrophobicContact CG2-CE1 4.01Å; V386-F405 HydrophobicContact CG2-CE2 3.78Å; V386-F405 HydrophobicContact CG2-CG 3.34Å; V386-F405 HydrophobicContact CG2-CZ 4.07Å; V386-W462 HydrophobicContact CG1-CB 4.16Å; V386-W462 HydrophobicContact CG1-CD2 3.93Å; V386-W462 HydrophobicContact CG1-CG 3.62Å; V386-L482 HydrophobicContact CG1-CD1 3.79Å; V386-L482 HydrophobicContact CG1-CD2 3.96Å; V386-L482 HydrophobicContact CG1-CG 4.48Å; V386-F484 HydrophobicContact CG1-CE1 3.84Å; V386-F484 HydrophobicContact CG1-CZ 4.18Å
387	D	95.6	Very high	94.7	Very high	4 Å²	4	25.6 Å²	25.6	2%	0.021	15%	0.152	C	C	.	.	H	α-helix	trans	-62.2	-36.6	174.1	-65.3	-41.4	0	0	0	112.5	Y319 S383 Q384 R461 W462	Y319-D387 HydrophobicContact CE2-CB 3.88Å; S383-D387 PolarHBondContact O-N 2.91Å; S383-D387 VanDerWaalsContact O-N 3.07Å; Q384-D387 WeakPolarHBondContact CA-OD2 3.39Å; Q384-D387 PolarHBondContact O-N 3.18Å; D387-R461 PolarHBondContact O-NH1 2.82Å; D387-W462 PolarHBondContact OD1-NE1 3.06Å
388	R	94.7	Very high	94.7	Very high	62 Å²	62	25.7 Å²	25.7	23%	0.234	15%	0.152	C	C	.	.	H	α-helix	trans	-68.5	-41.8	171.4	-72.1	174	-178.9	-171.4	-1.2	111.7	Y319 Q384 V385 V386 A390 Q391 C392 Y401	Y319-R388 HydrophobicContact CD2-CG 3.4Å; Y319-R388 HydrophobicContact CE2-CG 4Å; Y319-R388 HydrophobicContact CG-CG 4.04Å; Q384-R388 WeakPolarHBondContact O-CG 3.17Å; Q384-R388 PolarHBondContact O-N 3.04Å; V385-R388 PolarHBondContact O-N 2.55Å; V386-R388 VanDerWaalsContact C-N 3.28Å; V386-R388 PolarHBondContact O-N 3.18Å; R388-A390 PolarHBondContact O-N 2.86Å; R388-Q391 PolarHBondContact O-N 2.95Å; R388-C392 PolarHBondContact O-N 2.83Å; R388-Y401 HydrophobicContact CB-CD1 3.91Å; R388-Y401 HydrophobicContact CB-CE1 3.72Å; R388-Y401 HydrophobicContact CG-CE1 4.49Å
389	A	96.6	Very high	94.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-56.8	-40	175.3	0	0	0	0	0	111.7	V385 V386 Q391 C392 Q398 Y401 V402 F484	V385-A389 PolarHBondContact O-N 3.1Å; V386-A389 VanDerWaalsContact O-CB 3.3Å; V386-A389 WeakPolarHBondContact O-CB 3.48Å; V386-A389 PolarHBondContact O-N 3.32Å; V386-A389 VanDerWaalsContact O-N 3.13Å; A389-Q391 PolarHBondContact O-N 3.35Å; A389-C392 WeakPolarHBondContact O-CB 3.3Å; A389-C392 PolarHBondContact O-N 3.24Å; A389-C392 VanDerWaalsContact O-N 3.16Å; A389-Q398 HydrophobicContact CB-CG 4.21Å; A389-Q398 WeakPolarHBondContact O-CG 3.25Å; A389-Q398 PolarHBondContact O-NE2 3.5Å; A389-Y401 VanDerWaalsContact CB-CB 3.47Å; A389-Y401 HydrophobicContact CB-CG 4.3Å; A389-V402 HydrophobicContact CB-CG2 4.38Å; A389-F484 HydrophobicContact CB-CE1 3.88Å; A389-F484 HydrophobicContact CB-CZ 3.52Å
390	A	95.5	Very high	95	Very high	22 Å²	22	24.9 Å²	24.9	18%	0.182	15%	0.148	C	C	.	.	H	α-helix	trans	-63	-26.1	178.4	0	0	0	0	0	113.3	V386 R388 R461 F484	V386-A390 PolarHBondContact O-N 3.47Å; R388-A390 PolarHBondContact O-N 2.86Å; A390-R461 HydrophobicContact CB-CB 3.83Å; A390-R461 HydrophobicContact CB-CG 4.5Å; A390-F484 HydrophobicContact CB-CD1 3.53Å; A390-F484 HydrophobicContact CB-CE1 3.73Å
391	Q	93.1	Very high	95.1	Very high	60 Å²	60	25.5 Å²	25.5	28%	0.28	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-5.7	179.6	-65.8	175.3	-34	0	0	113.2	V320 R388 A389 G393 R461	V320-Q391 PolarHBondContact O-NE2 2.79Å; R388-Q391 PolarHBondContact O-N 2.95Å; A389-Q391 PolarHBondContact O-N 3.35Å; Q391-G393 PolarHBondContact O-N 2.89Å; Q391-R461 VanDerWaalsContact CD-NH1 3.33Å
392	C	91.6	Very high	95.2	Very high	22 Å²	22	24.9 Å²	24.9	15%	0.149	15%	0.147	C	C	.	.			trans	-73.9	125.5	178.6	-69	0	0	0	0	111.2	R388 A389 Q398 Y401	R388-C392 PolarHBondContact O-N 2.83Å; A389-C392 WeakPolarHBondContact O-CB 3.3Å; A389-C392 PolarHBondContact O-N 3.24Å; A389-C392 VanDerWaalsContact O-N 3.16Å; C392-Q398 HydrophobicContact CB-CB 3.83Å; C392-Y401 VanDerWaalsContact SG-CD2 3.51Å; C392-Y401 WeakPolarHBondContact SG-CE2 3.36Å
393	G	88.3	Confident	95.4	Very high	85 Å²	85	24.6 Å²	24.6	88%	0.876	15%	0.146	S	C	*	.	S	Bend	trans	-77.9	-24.6	171	0	0	0	0	0	113.9	Q391	Q391-G393 PolarHBondContact O-N 2.89Å
394	D	93.6	Very high	95.5	Very high	62 Å²	62	24.3 Å²	24.3	33%	0.332	14%	0.144	S	C	.	.	S	Bend	trans	-94.7	125.9	175.1	174.4	37.8	0	0	0	111	C396 E397 Q398	D394-C396 VanDerWaalsContact C-N 3.29Å; D394-C396 PolarHBondContact O-N 2.88Å; D394-C396 PolarHBondContact OD1-N 2.89Å; D394-C396 WeakPolarHBondContact OD2-CB 3.18Å; D394-E397 HydrophobicContact CB-CB 4.03Å; D394-E397 PolarHBondContact O-N 3.17Å; D394-E397 PolarHBondContact OD2-N 2.97Å; D394-Q398 WeakPolarHBondContact O-CB 3.09Å; D394-Q398 PolarHBondContact O-N 3.33Å
395	V	95.8	Very high	95.6	Very high	25 Å²	25	20.3 Å²	20.3	15%	0.152	13%	0.126	C	C	.	.	H	α-helix	trans	-67.5	-31.7	-179.1	-175.4	0	0	0	0	111.5	Q398 M399 E520 I525	V395-Q398 PolarHBondContact O-N 2.6Å; V395-M399 WeakPolarHBondContact O-CB 3.18Å; V395-M399 PolarHBondContact O-N 2.9Å; V395-E520 HydrophobicContact CG1-CG 3.96Å; V395-I525 HydrophobicContact CB-CG1 4.46Å; V395-I525 HydrophobicContact CG1-CB 4.47Å; V395-I525 HydrophobicContact CG1-CG1 3.87Å
396	C	95.1	Very high	95.7	Very high	9 Å²	9	20.1 Å²	20.1	6%	0.061	12%	0.124	C	C	.	.	H	α-helix	trans	-70.3	-41.3	176.5	-75.2	0	0	0	0	111.7	D394 M399 C400 V549 H557	D394-C396 VanDerWaalsContact C-N 3.29Å; D394-C396 PolarHBondContact O-N 2.88Å; D394-C396 PolarHBondContact OD1-N 2.89Å; D394-C396 WeakPolarHBondContact OD2-CB 3.18Å; C396-M399 WeakPolarHBondContact O-CB 3.46Å; C396-M399 PolarHBondContact O-N 3.24Å; C396-C400 PolarHBondContact O-N 3.31Å; C396-C400 PolarHBondContact O-SG 3.3Å; C396-V549 HydrophobicContact CB-CG1 4.35Å; C396-H557 HydrophobicContact CB-CB 4.21Å
397	E	94.6	Very high	95.7	Very high	47 Å²	47	20 Å²	20	22%	0.22	12%	0.124	C	C	.	.	H	α-helix	trans	-65.9	-43.6	170.1	-171.8	176.5	-165.9	0	0	111.9	D394 M399 C400 Y401 W558 K584	D394-E397 HydrophobicContact CB-CB 4.03Å; D394-E397 PolarHBondContact O-N 3.17Å; D394-E397 PolarHBondContact OD2-N 2.97Å; E397-M399 PolarHBondContact O-N 2.64Å; E397-C400 VanDerWaalsContact O-CB 3.28Å; E397-C400 WeakPolarHBondContact O-CB 3.37Å; E397-C400 PolarHBondContact O-N 3.44Å; E397-Y401 HydrophobicContact CG-CD2 4.38Å; E397-Y401 HydrophobicContact CG-CE2 4.05Å; E397-Y401 WeakPolarHBondContact O-CD2 3.39Å; E397-Y401 PolarHBondContact O-N 2.92Å; E397-W558 HydrophobicContact CB-CZ2 4.08Å; E397-W558 HydrophobicContact CG-CZ2 4.24Å; E397-K584 IonicContact OE1-NZ 2.67Å; E397-K584 PolarHBondContact OE1-NZ 3.08Å
398	Q	97.2	Very high	95.7	Very high	2 Å²	2	20 Å²	20	1%	0.009	12%	0.124	C	C	.	.	H	α-helix	trans	-53.8	-43.6	174.2	-178.7	169.1	82.6	0	0	111	A389 C392 D394 V395 C400 Y401 V402 F484 N489 Y491	A389-Q398 HydrophobicContact CB-CG 4.21Å; A389-Q398 WeakPolarHBondContact O-CG 3.25Å; A389-Q398 PolarHBondContact O-NE2 3.5Å; C392-Q398 HydrophobicContact CB-CB 3.83Å; D394-Q398 WeakPolarHBondContact O-CB 3.09Å; D394-Q398 PolarHBondContact O-N 3.33Å; V395-Q398 PolarHBondContact O-N 2.6Å; Q398-C400 VanDerWaalsContact C-N 3.28Å; Q398-C400 PolarHBondContact O-N 2.79Å; Q398-Y401 PolarHBondContact O-N 3.19Å; Q398-Y401 VanDerWaalsContact O-N 3.17Å; Q398-V402 WeakPolarHBondContact O-CG2 3.25Å; Q398-V402 PolarHBondContact O-N 3.05Å; Q398-F484 VanDerWaalsContact CD-CE2 3.47Å; Q398-F484 HydrophobicContact CG-CD2 4.38Å; Q398-F484 HydrophobicContact CG-CE2 3.75Å; Q398-F484 HydrophobicContact CG-CZ 4.1Å; Q398-N489 PolarHBondContact OE1-ND2 2.95Å; Q398-Y491 HydrophobicContact CG-CE2 4.35Å; Q398-Y491 WeakPolarHBondContact CG-OH 3.49Å; Q398-Y491 PolarHBondContact OE1-OH 3.13Å
399	M	97.9	Very high	95.6	Very high	0 Å²	0	18 Å²	18	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-58.9	-35.1	175.4	-179.9	63.9	84.4	0	0	112.8	V395 C396 E397 V402 A403 Y491 I518 E520 I525 C527 V549	V395-M399 WeakPolarHBondContact O-CB 3.18Å; V395-M399 PolarHBondContact O-N 2.9Å; C396-M399 WeakPolarHBondContact O-CB 3.46Å; C396-M399 PolarHBondContact O-N 3.24Å; E397-M399 PolarHBondContact O-N 2.64Å; M399-V402 PolarHBondContact O-N 2.8Å; M399-A403 VanDerWaalsContact O-CB 3.3Å; M399-A403 WeakPolarHBondContact O-CB 3.35Å; M399-A403 PolarHBondContact O-N 3.05Å; M399-Y491 HydrophobicContact CB-CE1 4.24Å; M399-Y491 HydrophobicContact CE-CD1 3.72Å; M399-Y491 HydrophobicContact CE-CE1 3.5Å; M399-Y491 HydrophobicContact SD-CD1 3.89Å; M399-Y491 HydrophobicContact SD-CE1 3.71Å; M399-I518 HydrophobicContact CE-CG2 4.19Å; M399-I518 HydrophobicContact SD-CB 3.92Å; M399-I518 HydrophobicContact SD-CG2 3.62Å; M399-E520 HydrophobicContact CE-CB 3.74Å; M399-I525 HydrophobicContact CB-CG2 4.25Å; M399-I525 HydrophobicContact CE-CB 4.33Å; M399-I525 HydrophobicContact CE-CG2 4.03Å; M399-I525 WeakPolarHBondContact CE-O 2.79Å; M399-I525 HydrophobicContact CG-CG2 4.28Å; M399-C527 HydrophobicContact CE-CB 4.49Å; M399-C527 HydrophobicContact CG-CB 3.61Å; M399-C527 HydrophobicContact SD-CB 3.61Å; M399-V549 HydrophobicContact CB-CG1 4.07Å; M399-V549 HydrophobicContact CB-CG2 4.48Å; M399-V549 HydrophobicContact CG-CG1 3.86Å; M399-V549 HydrophobicContact CG-CG2 3.94Å
400	C	97.8	Very high	95.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.9	-41.5	176.5	-64.7	0	0	0	0	111.9	C396 E397 Q398 A403 A404 W558 C570	C396-C400 PolarHBondContact O-N 3.31Å; C396-C400 PolarHBondContact O-SG 3.3Å; E397-C400 VanDerWaalsContact O-CB 3.28Å; E397-C400 WeakPolarHBondContact O-CB 3.37Å; E397-C400 PolarHBondContact O-N 3.44Å; Q398-C400 VanDerWaalsContact C-N 3.28Å; Q398-C400 PolarHBondContact O-N 2.79Å; C400-A403 PolarHBondContact O-N 2.96Å; C400-A404 WeakPolarHBondContact O-CB 3.28Å; C400-A404 PolarHBondContact O-N 3.3Å; C400-W558 WeakPolarHBondContact SG-CB 3.46Å; C400-C570 HydrophobicContact CB-CB 4.07Å
401	Y	97.7	Very high	95.3	Very high	15 Å²	15	17.4 Å²	17.4	6%	0.059	11%	0.114	C	C	.	.	H	α-helix	trans	-68.7	-40.9	175.2	-74.6	-84.2	0	0	0	112.2	V385 R388 A389 C392 E397 Q398 A403 A404 F405 K584 V586	V385-Y401 HydrophobicContact CG1-CD1 4.1Å; V385-Y401 VanDerWaalsContact CG1-O 3.28Å; V385-Y401 WeakPolarHBondContact CG1-O 3.42Å; R388-Y401 HydrophobicContact CB-CD1 3.91Å; R388-Y401 HydrophobicContact CB-CE1 3.72Å; R388-Y401 HydrophobicContact CG-CE1 4.49Å; A389-Y401 VanDerWaalsContact CB-CB 3.47Å; A389-Y401 HydrophobicContact CB-CG 4.3Å; C392-Y401 VanDerWaalsContact SG-CD2 3.51Å; C392-Y401 WeakPolarHBondContact SG-CE2 3.36Å; E397-Y401 HydrophobicContact CG-CD2 4.38Å; E397-Y401 HydrophobicContact CG-CE2 4.05Å; E397-Y401 WeakPolarHBondContact O-CD2 3.39Å; E397-Y401 PolarHBondContact O-N 2.92Å; Q398-Y401 PolarHBondContact O-N 3.19Å; Q398-Y401 VanDerWaalsContact O-N 3.17Å; Y401-A403 VanDerWaalsContact C-N 3.32Å; Y401-A403 PolarHBondContact O-N 3Å; Y401-A404 WeakPolarHBondContact O-CB 3.5Å; Y401-A404 PolarHBondContact O-N 3.44Å; Y401-F405 PolarHBondContact O-N 3.23Å; Y401-K584 WeakPolarHBondContact OH-CE 2.89Å; Y401-K584 PolarHBondContact OH-NZ 2.75Å; Y401-V586 HydrophobicContact CD1-CG1 3.37Å; Y401-V586 HydrophobicContact CD2-CG1 4.25Å; Y401-V586 HydrophobicContact CE1-CG1 3.5Å; Y401-V586 VanDerWaalsContact CE1-CG1 3.5Å; Y401-V586 HydrophobicContact CE2-CG1 4.37Å; Y401-V586 HydrophobicContact CG-CG1 3.77Å
402	V	98.3	Very high	95.1	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-59.7	-45.9	174.1	176.4	0	0	0	0	110.2	A389 Q398 M399 A404 F405 T406 L482 F484 Y491 I518	A389-V402 HydrophobicContact CB-CG2 4.38Å; Q398-V402 WeakPolarHBondContact O-CG2 3.25Å; Q398-V402 PolarHBondContact O-N 3.05Å; M399-V402 PolarHBondContact O-N 2.8Å; V402-A404 VanDerWaalsContact C-N 3.34Å; V402-A404 PolarHBondContact O-N 3.33Å; V402-F405 WeakPolarHBondContact O-CB 3.21Å; V402-F405 PolarHBondContact O-N 2.9Å; V402-T406 VanDerWaalsContact O-CG2 3.32Å; V402-T406 WeakPolarHBondContact O-CG2 3.19Å; V402-T406 PolarHBondContact O-N 3.02Å; V402-L482 HydrophobicContact CG1-CD2 4.12Å; V402-L482 HydrophobicContact CG2-CD2 3.84Å; V402-F484 HydrophobicContact CG2-CE2 3.93Å; V402-F484 HydrophobicContact CG2-CZ 3.92Å; V402-Y491 HydrophobicContact CB-CD1 4.31Å; V402-Y491 HydrophobicContact CB-CE1 4.45Å; V402-Y491 HydrophobicContact CG1-CD1 4Å; V402-Y491 HydrophobicContact CG1-CG 4.25Å; V402-Y491 HydrophobicContact CG2-CD1 4.13Å; V402-Y491 HydrophobicContact CG2-CD2 4.43Å; V402-Y491 HydrophobicContact CG2-CE1 4.09Å; V402-Y491 HydrophobicContact CG2-CE2 4.42Å; V402-Y491 HydrophobicContact CG2-CG 4.3Å; V402-I518 HydrophobicContact CG1-CG2 3.97Å
403	A	98.1	Very high	94.9	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.6	-45.1	175.4	0	0	0	0	0	112.2	M399 C400 Y401 F405 T406 V407 I518 L529 L560	M399-A403 VanDerWaalsContact O-CB 3.3Å; M399-A403 WeakPolarHBondContact O-CB 3.35Å; M399-A403 PolarHBondContact O-N 3.05Å; C400-A403 PolarHBondContact O-N 2.96Å; Y401-A403 VanDerWaalsContact C-N 3.32Å; Y401-A403 PolarHBondContact O-N 3Å; A403-F405 VanDerWaalsContact C-N 3.33Å; A403-F405 PolarHBondContact O-N 3.43Å; A403-T406 PolarHBondContact O-N 3.46Å; A403-T406 VanDerWaalsContact O-N 3.09Å; A403-T406 PolarHBondContact O-OG1 2.69Å; A403-V407 WeakPolarHBondContact O-CG2 3.37Å; A403-V407 PolarHBondContact O-N 3.46Å; A403-V407 VanDerWaalsContact O-N 3.08Å; A403-I518 VanDerWaalsContact CA-CD1 3.44Å; A403-I518 HydrophobicContact CB-CD1 3.74Å; A403-L529 HydrophobicContact CB-CD1 4.22Å; A403-L529 HydrophobicContact CB-CD2 4.32Å; A403-L560 HydrophobicContact CB-CD2 3.64Å
404	A	97.4	Very high	94.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-58.8	-42.4	175.5	0	0	0	0	0	112.9	V385 C400 Y401 V402 T406 V407 S408 I568 V586 F587	V385-A404 HydrophobicContact CG1-CB 3.99Å; C400-A404 WeakPolarHBondContact O-CB 3.28Å; C400-A404 PolarHBondContact O-N 3.3Å; Y401-A404 WeakPolarHBondContact O-CB 3.5Å; Y401-A404 PolarHBondContact O-N 3.44Å; V402-A404 VanDerWaalsContact C-N 3.34Å; V402-A404 PolarHBondContact O-N 3.33Å; A404-T406 VanDerWaalsContact C-N 3.34Å; A404-T406 PolarHBondContact O-N 3.4Å; A404-V407 PolarHBondContact O-N 2.77Å; A404-S408 PolarHBondContact O-N 3.14Å; A404-I568 HydrophobicContact CB-CG2 3.4Å; A404-I568 VanDerWaalsContact CB-CG2 3.4Å; A404-V586 HydrophobicContact CB-CB 3.86Å; A404-V586 HydrophobicContact CB-CG1 4.16Å; A404-F587 HydrophobicContact CB-CB 4.05Å
405	F	97.4	Very high	94.4	Very high	4 Å²	4	12.9 Å²	12.9	2%	0.018	8%	0.075	C	C	.	.	H	α-helix	trans	-63.5	-35.4	173.8	172.5	-106.9	0	0	0	112.9	D379 L380 V385 V386 Y401 V402 A403 S408 L464 W493	D379-F405 VanDerWaalsContact O-CE2 3.25Å; D379-F405 WeakPolarHBondContact O-CE2 3.34Å; L380-F405 HydrophobicContact CD2-CE2 4.36Å; L380-F405 HydrophobicContact CD2-CZ 4.06Å; V385-F405 HydrophobicContact CB-CB 4.44Å; V385-F405 HydrophobicContact CG1-CB 4.14Å; V386-F405 HydrophobicContact CG2-CB 3.86Å; V386-F405 HydrophobicContact CG2-CD1 3.67Å; V386-F405 HydrophobicContact CG2-CD2 3.41Å; V386-F405 VanDerWaalsContact CG2-CD2 3.41Å; V386-F405 HydrophobicContact CG2-CE1 4.01Å; V386-F405 HydrophobicContact CG2-CE2 3.78Å; V386-F405 HydrophobicContact CG2-CG 3.34Å; V386-F405 HydrophobicContact CG2-CZ 4.07Å; Y401-F405 PolarHBondContact O-N 3.23Å; V402-F405 WeakPolarHBondContact O-CB 3.21Å; V402-F405 PolarHBondContact O-N 2.9Å; A403-F405 VanDerWaalsContact C-N 3.33Å; A403-F405 PolarHBondContact O-N 3.43Å; F405-S408 PolarHBondContact O-OG 3.01Å; F405-L464 HydrophobicContact CE1-CD1 4.42Å; F405-L464 HydrophobicContact CE1-CD2 4.24Å; F405-L464 HydrophobicContact CZ-CD2 4Å; F405-W493 HydrophobicContact CD1-CH2 4.5Å; F405-W493 HydrophobicContact CD1-CZ2 4.45Å; F405-W493 HydrophobicContact CE1-CH2 4.29Å; F405-W493 HydrophobicContact CE1-CZ2 4.23Å
406	T	96.9	Very high	94	Very high	1 Å²	1	12 Å²	12	1%	0.006	7%	0.069	C	C	.	.	H	α-helix	trans	-67.1	-38.4	174.9	71.2	0	0	0	0	112.3	V402 A403 A404 S409 W493 M516 I518 L529	V402-T406 VanDerWaalsContact O-CG2 3.32Å; V402-T406 WeakPolarHBondContact O-CG2 3.19Å; V402-T406 PolarHBondContact O-N 3.02Å; A403-T406 PolarHBondContact O-N 3.46Å; A403-T406 VanDerWaalsContact O-N 3.09Å; A403-T406 PolarHBondContact O-OG1 2.69Å; A404-T406 VanDerWaalsContact C-N 3.34Å; A404-T406 PolarHBondContact O-N 3.4Å; T406-S409 PolarHBondContact O-OG 3.34Å; T406-W493 HydrophobicContact CG2-CD2 3.81Å; T406-W493 VanDerWaalsContact CG2-CE2 3.47Å; T406-W493 HydrophobicContact CG2-CG 4.02Å; T406-W493 HydrophobicContact CG2-CZ2 3.91Å; T406-M516 HydrophobicContact CG2-SD 4.13Å; T406-M516 PolarHBondContact OG1-SD 2.85Å; T406-I518 HydrophobicContact CG2-CD1 3.67Å; T406-I518 HydrophobicContact CG2-CG1 4.29Å; T406-L529 WeakPolarHBondContact OG1-CD1 3.49Å
407	V	96.9	Very high	93.4	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-67.9	-41.3	178.4	175.6	0	0	0	0	110.9	A403 A404 S409 Y410 L529 Y531 V545 W564 I568	A403-V407 WeakPolarHBondContact O-CG2 3.37Å; A403-V407 PolarHBondContact O-N 3.46Å; A403-V407 VanDerWaalsContact O-N 3.08Å; A404-V407 PolarHBondContact O-N 2.77Å; V407-S409 PolarHBondContact O-N 3.01Å; V407-S409 VanDerWaalsContact O-N 3.11Å; V407-Y410 PolarHBondContact O-N 3.08Å; V407-L529 HydrophobicContact CG2-CD1 3.99Å; V407-Y531 WeakPolarHBondContact CA-OH 3.16Å; V407-Y531 WeakPolarHBondContact CG2-OH 3.45Å; V407-V545 HydrophobicContact CG1-CG2 4.45Å; V407-V545 HydrophobicContact CG2-CG1 4.14Å; V407-W564 HydrophobicContact CG1-CB 3.92Å; V407-I568 HydrophobicContact CG2-CD1 4.41Å
408	S	95.2	Very high	92.7	Very high	5 Å²	5	13.2 Å²	13.2	4%	0.035	8%	0.084	C	C	.	.	H	α-helix	trans	-59.2	-27.2	-178.3	70.9	0	0	0	0	113.8	A404 F405 Y410 A411	A404-S408 PolarHBondContact O-N 3.14Å; F405-S408 PolarHBondContact O-OG 3.01Å; S408-Y410 PolarHBondContact O-N 2.71Å; S408-A411 WeakPolarHBondContact O-CB 3.41Å; S408-A411 PolarHBondContact O-N 2.9Å; S408-A411 VanDerWaalsContact O-N 3.08Å
409	S	93.2	Very high	92	Very high	18 Å²	18	17.9 Å²	17.9	13%	0.126	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-12.7	176	76	0	0	0	0	114.8	D379 T406 V407	D379-S409 WeakPolarHBondContact OD1-CB 3.42Å; T406-S409 PolarHBondContact O-OG 3.34Å; V407-S409 PolarHBondContact O-N 3.01Å; V407-S409 VanDerWaalsContact O-N 3.11Å
410	Y	93.2	Very high	91.7	Very high	5 Å²	5	18.5 Å²	18.5	2%	0.02	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-9.9	178.3	-62.3	-79.5	0	0	0	113.8	V407 S408 T412 T413 K495 V496 N512 M516 Y531	V407-Y410 PolarHBondContact O-N 3.08Å; S408-Y410 PolarHBondContact O-N 2.71Å; Y410-T412 VanDerWaalsContact C-N 3.31Å; Y410-T412 PolarHBondContact O-N 2.94Å; Y410-T413 WeakPolarHBondContact O-CB 3.45Å; Y410-T413 PolarHBondContact O-N 3.3Å; Y410-T413 PolarHBondContact O-OG1 2.79Å; Y410-K495 VanDerWaalsContact OH-CA 3.28Å; Y410-K495 WeakPolarHBondContact OH-CA 3.31Å; Y410-K495 WeakPolarHBondContact OH-CB 3.31Å; Y410-K495 WeakPolarHBondContact OH-CG 3.44Å; Y410-V496 HydrophobicContact CE1-CG2 3.93Å; Y410-V496 HydrophobicContact CE2-CG2 4.21Å; Y410-V496 WeakPolarHBondContact OH-CG2 3.4Å; Y410-V496 PolarHBondContact OH-N 3.36Å; Y410-N512 HydrophobicContact CD1-CB 4.17Å; Y410-N512 VanDerWaalsContact CD1-OD1 3.3Å; Y410-N512 WeakPolarHBondContact CD1-OD1 3.35Å; Y410-M516 HydrophobicContact CE2-CE 4.05Å; Y410-Y531 AromaticContact CD2-CE1 3.85Å; Y410-Y531 HydrophobicContact CD2-CE1 3.85Å; Y410-Y531 HydrophobicContact CE2-CE1 4.08Å; Y410-Y531 AromaticContact CE2-CZ 3.99Å; Y410-Y531 WeakPolarHBondContact CE2-OH 3.4Å; Y410-Y531 HydrophobicContact CG-CE1 4.42Å
411	A	91.8	Very high	91.3	Very high	6 Å²	6	18.6 Å²	18.6	5%	0.05	11%	0.109	C	C	.	.	G	3₁₀ helix	trans	-56.7	-43.5	-172	0	0	0	0	0	112.7	S408 T413 V414 W564 F587 T589	S408-A411 WeakPolarHBondContact O-CB 3.41Å; S408-A411 PolarHBondContact O-N 2.9Å; S408-A411 VanDerWaalsContact O-N 3.08Å; A411-T413 PolarHBondContact O-N 3.45Å; A411-V414 VanDerWaalsContact O-CG1 3.29Å; A411-V414 WeakPolarHBondContact O-CG1 3.4Å; A411-V414 PolarHBondContact O-N 2.87Å; A411-W564 VanDerWaalsContact CA-O 3.24Å; A411-W564 WeakPolarHBondContact CA-O 3.43Å; A411-W564 PolarHBondContact N-O 3.08Å; A411-F587 HydrophobicContact CB-CZ 4.19Å; A411-T589 HydrophobicContact CB-CG2 3.58Å
412	T	88.9	Confident	90.9	Very high	15 Å²	15	21 Å²	21	9%	0.092	12%	0.123	C	C	.	.	G	3₁₀ helix	trans	-74.5	-9.6	-176.5	66.9	0	0	0	0	114	R375 E378 Y410 V414 R416 T601	R375-T412 PolarHBondContact NH1-OG1 3.38Å; E378-T412 WeakPolarHBondContact OE1-CB 3.37Å; E378-T412 WeakPolarHBondContact OE1-CG2 3.44Å; E378-T412 PolarHBondContact OE1-OG1 3.28Å; Y410-T412 VanDerWaalsContact C-N 3.31Å; Y410-T412 PolarHBondContact O-N 2.94Å; T412-V414 VanDerWaalsContact C-N 3.26Å; T412-V414 PolarHBondContact O-N 3.21Å; T412-R416 VanDerWaalsContact O-CB 3.27Å; T412-R416 WeakPolarHBondContact O-CB 3.5Å; T412-R416 WeakPolarHBondContact O-CG 3.44Å; T412-R416 PolarHBondContact O-N 3.04Å; T412-T601 HydrophobicContact CG2-CG2 3.73Å
413	T	89	Confident	90.7	Very high	14 Å²	14	21.1 Å²	21.1	9%	0.086	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-74.5	-14	179.2	69.2	0	0	0	0	113.5	Y410 A411 T415 N512 W564	Y410-T413 WeakPolarHBondContact O-CB 3.45Å; Y410-T413 PolarHBondContact O-N 3.3Å; Y410-T413 PolarHBondContact O-OG1 2.79Å; A411-T413 PolarHBondContact O-N 3.45Å; T413-T415 VanDerWaalsContact C-N 3.29Å; T413-T415 PolarHBondContact O-N 2.86Å; T413-N512 PolarHBondContact OG1-ND2 2.81Å; T413-W564 WeakPolarHBondContact OG1-CZ3 3.18Å
414	V	86.8	Confident	90.5	Very high	55 Å²	55	21.3 Å²	21.3	33%	0.333	13%	0.125	S	C	.	.	G	3₁₀ helix	trans	-62.3	-36.6	179	66.1	0	0	0	0	112.4	A411 T412 W564 D565	A411-V414 VanDerWaalsContact O-CG1 3.29Å; A411-V414 WeakPolarHBondContact O-CG1 3.4Å; A411-V414 PolarHBondContact O-N 2.87Å; T412-V414 VanDerWaalsContact C-N 3.26Å; T412-V414 PolarHBondContact O-N 3.21Å; V414-W564 HydrophobicContact CB-CH2 4.37Å; V414-W564 HydrophobicContact CB-CZ3 3.89Å; V414-D565 HydrophobicContact CB-CB 3.98Å; V414-D565 HydrophobicContact CG1-CB 4.32Å; V414-D565 HydrophobicContact CG2-CB 4.1Å
415	T	83.4	Confident	90.3	Very high	50 Å²	50	23 Å²	23	31%	0.307	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-21.4	-176.1	49.1	0	0	0	0	113.2	T413 T417 N599	T413-T415 VanDerWaalsContact C-N 3.29Å; T413-T415 PolarHBondContact O-N 2.86Å; T415-T417 PolarHBondContact O-N 3.2Å; T415-N599 PolarHBondContact O-ND2 3.15Å; T415-N599 VanDerWaalsContact O-ND2 3.16Å
416	R	86.9	Confident	90.2	Very high	6 Å²	6	22.9 Å²	22.9	2%	0.023	13%	0.133	C	C	.	.			trans	-97.8	90.3	-175.3	-63.1	178.6	63.2	177.3	1.2	111.9	E368 L370 E378 T412 I510 N599	E368-R416 IonicContact OE1-CZ 2.76Å; E368-R416 IonicContact OE1-NH2 3.7Å; E368-R416 PolarHBondContact OE1-NH2 3.36Å; E368-R416 VanDerWaalsContact OE1-NH2 3.1Å; E368-R416 IonicContact OE2-CZ 3.8Å; E368-R416 IonicContact OE2-NE 3.36Å; E368-R416 PolarHBondContact OE2-NE 3.41Å; E368-R416 IonicContact OE2-NH2 3.43Å; E368-R416 PolarHBondContact OE2-NH2 2.84Å; L370-R416 VanDerWaalsContact CD1-NH2 3.34Å; E378-R416 IonicContact OE1-CZ 3.25Å; E378-R416 IonicContact OE1-NH1 2.77Å; E378-R416 PolarHBondContact OE1-NH1 2.98Å; E378-R416 IonicContact OE2-CZ 2.79Å; E378-R416 IonicContact OE2-NH1 2.66Å; E378-R416 PolarHBondContact OE2-NH1 3.3Å; E378-R416 IonicContact OE2-NH2 2.76Å; T412-R416 VanDerWaalsContact O-CB 3.27Å; T412-R416 WeakPolarHBondContact O-CB 3.5Å; T412-R416 WeakPolarHBondContact O-CG 3.44Å; T412-R416 PolarHBondContact O-N 3.04Å; R416-I510 WeakPolarHBondContact O-CD1 3.27Å; R416-N599 HydrophobicContact CG-CB 3.92Å
417	T	82.1	Confident	90.3	Very high	57 Å²	57	22.8 Å²	22.8	35%	0.35	13%	0.133	S	C	.	.			trans	-90.1	-11.8	174	54.6	0	0	0	0	113.6	T415 L508 I510	T415-T417 PolarHBondContact O-N 3.2Å; T417-L508 HydrophobicContact CG2-CB 4.08Å; T417-I510 HydrophobicContact CG2-CD1 4.44Å; T417-I510 HydrophobicContact CG2-CG1 4.28Å
418	G	80.9	Confident	90.3	Very high	25 Å²	25	22.8 Å²	22.8	26%	0.258	13%	0.133	S	C	.	.	S	Bend	trans	-65.9	140.9	178.8	0	0	0	0	0	111.9	F366	F366-G418 WeakPolarHBondContact O-CA 3.44Å
419	K	83.3	Confident	90.5	Very high	100 Å²	100	22.7 Å²	22.7	44%	0.435	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	126.7	179.3	-170.5	-170.8	168	-174.4	0	109.6	F366 N367 E368 N422	F366-K419 PolarHBondContact O-N 3.41Å; N367-K419 CarbonylContact C-O 3.57Å; N367-K419 WeakPolarHBondContact CA-O 3.28Å; N367-K419 WeakPolarHBondContact CB-O 3.43Å; N367-K419 VanDerWaalsContact CG-O 3.3Å; N367-K419 PolarHBondContact OD1-O 3.42Å; E368-K419 PolarHBondContact N-O 3.26Å; E368-K419 VanDerWaalsContact N-O 3.08Å; K419-N422 WeakPolarHBondContact CE-OD1 3.22Å; K419-N422 PolarHBondContact NZ-ND2 3.02Å; K419-N422 PolarHBondContact NZ-OD1 3.26Å
420	P	90.3	Very high	90.7	Very high	12 Å²	12	21.9 Å²	21.9	8%	0.078	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	158.4	169.5	29.1	-36.7	0	0	0	110.9	E368 L370 M372 R375 N422	E368-P420 HydrophobicContact CG-CB 4.11Å; L370-P420 CarbonylContact O-C 3.56Å; L370-P420 WeakPolarHBondContact O-CA 3.29Å; L370-P420 WeakPolarHBondContact O-CB 3.37Å; M372-P420 HydrophobicContact CB-CG 4.4Å; M372-P420 HydrophobicContact CE-CG 3.5Å; M372-P420 HydrophobicContact SD-CG 4.01Å; R375-P420 HydrophobicContact CG-CB 3.75Å; R375-P420 HydrophobicContact CG-CG 3.98Å; P420-N422 PolarHBondContact O-N 2.97Å
421	F	90.9	Very high	90.9	Very high	3 Å²	3	21.9 Å²	21.9	1%	0.013	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.9	131.7	172.4	-75.6	-100	0	0	0	110.1	V364 N367 E368 L370 M372 P423 D624 Q625 M628	V364-F421 HydrophobicContact CB-CZ 4.42Å; V364-F421 HydrophobicContact CG1-CE1 4.11Å; V364-F421 HydrophobicContact CG1-CZ 4.19Å; N367-F421 HydrophobicContact CB-CD2 4.35Å; N367-F421 HydrophobicContact CB-CE2 3.99Å; N367-F421 HydrophobicContact CB-CZ 4.39Å; E368-F421 WeakPolarHBondContact O-CD2 3.42Å; E368-F421 WeakPolarHBondContact O-CE2 3.18Å; L370-F421 PolarHBondContact O-N 3.24Å; M372-F421 PolarHBondContact N-O 3.4Å; F421-P423 WeakPolarHBondContact O-CD 3.42Å; F421-D624 HydrophobicContact CE1-CB 4.36Å; F421-D624 WeakPolarHBondContact CE1-OD2 3.45Å; F421-Q625 HydrophobicContact CD2-CB 4.21Å; F421-Q625 HydrophobicContact CD2-CG 4.11Å; F421-Q625 HydrophobicContact CE2-CB 4.18Å; F421-Q625 HydrophobicContact CE2-CG 4.2Å; F421-Q625 HydrophobicContact CG-CB 4.46Å; F421-Q625 HydrophobicContact CZ-CB 4.41Å; F421-M628 HydrophobicContact CE2-CB 4.48Å; F421-M628 HydrophobicContact CE2-SD 3.34Å; F421-M628 WeakPolarHBondContact CE2-SD 3.32Å; F421-M628 HydrophobicContact CZ-CB 4.14Å; F421-M628 HydrophobicContact CZ-CG 4.42Å; F421-M628 HydrophobicContact CZ-SD 3.44Å; F421-M628 WeakPolarHBondContact CZ-SD 3.3Å
422	N	88.7	Confident	91.1	Very high	66 Å²	66	23.7 Å²	23.7	35%	0.353	14%	0.135	S	C	.	.	P	Polyproline II helix	trans	-65.5	122.8	171.2	-81.6	0.6	0	0	0	107.8	K419 P420 R622	K419-N422 WeakPolarHBondContact CE-OD1 3.22Å; K419-N422 PolarHBondContact NZ-ND2 3.02Å; K419-N422 PolarHBondContact NZ-OD1 3.26Å; P420-N422 PolarHBondContact O-N 2.97Å; N422-R622 PolarHBondContact O-NH1 3.33Å
423	P	92.7	Very high	91.4	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.013	13%	0.132	C	C	.	.	P	Polyproline II helix	trans	-64.7	144.2	-177.3	-20.1	32.1	0	0	0	111.2	M372 L373 F421 E427 Q445	M372-P423 HydrophobicContact CB-CG 3.58Å; L373-P423 HydrophobicContact CD1-CB 4.18Å; L373-P423 HydrophobicContact CD2-CB 4.25Å; L373-P423 HydrophobicContact CD2-CG 3.99Å; L373-P423 HydrophobicContact CG-CB 3.82Å; L373-P423 HydrophobicContact CG-CG 3.71Å; F421-P423 WeakPolarHBondContact O-CD 3.42Å; P423-E427 WeakPolarHBondContact CA-OE2 3.35Å; P423-E427 HydrophobicContact CB-CB 4.2Å; P423-Q445 HydrophobicContact CB-CB 3.86Å; P423-Q445 HydrophobicContact CB-CG 4Å
424	L	94	Very high	91.6	Very high	4 Å²	4	26.1 Å²	26.1	2%	0.021	15%	0.15	C	C	.	.	P	Polyproline II helix	trans	-70.5	150.6	173.2	-59	-169.8	0	0	0	110.7	G426 E427 Q445 L643 Q647 I710 Y711	L424-G426 PolarHBondContact O-N 3.1Å; L424-E427 HydrophobicContact CB-CB 4.09Å; L424-E427 PolarHBondContact N-OE2 3.49Å; L424-E427 WeakPolarHBondContact O-CB 3.49Å; L424-E427 PolarHBondContact O-N 2.79Å; L424-Q445 WeakPolarHBondContact O-CB 3.3Å; L424-Q445 VanDerWaalsContact O-CG 3.3Å; L424-Q445 WeakPolarHBondContact O-CG 3.39Å; L424-L643 HydrophobicContact CD1-CD1 4.48Å; L424-L643 HydrophobicContact CD1-CD2 4.12Å; L424-Q647 HydrophobicContact CD2-CG 4.35Å; L424-I710 HydrophobicContact CB-CD1 4.46Å; L424-I710 WeakPolarHBondContact CD1-O 3.28Å; L424-Y711 HydrophobicContact CD1-CD1 3.7Å; L424-Y711 HydrophobicContact CD1-CE1 3.71Å; L424-Y711 HydrophobicContact CG-CE1 4.46Å
425	L	94.1	Very high	91.8	Very high	34 Å²	34	24.9 Å²	24.9	18%	0.178	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	126.5	174.9	-176.4	63.9	0	0	0	109.5	E427 H448 Q647 Y671	L425-E427 PolarHBondContact O-N 3.41Å; L425-H448 HydrophobicContact CB-CB 4.27Å; L425-H448 HydrophobicContact CD1-CB 4.23Å; L425-H448 HydrophobicContact CD2-CB 4.5Å; L425-Q647 VanDerWaalsContact N-NE2 3.17Å; L425-Y671 HydrophobicContact CD1-CD1 3.69Å; L425-Y671 HydrophobicContact CD1-CE1 3.73Å; L425-Y671 HydrophobicContact CD1-CG 4.15Å; L425-Y671 HydrophobicContact CD2-CD1 4.18Å; L425-Y671 HydrophobicContact CD2-CD2 3.84Å; L425-Y671 HydrophobicContact CD2-CE2 4.34Å; L425-Y671 HydrophobicContact CD2-CG 3.76Å; L425-Y671 HydrophobicContact CG-CD1 4.05Å; L425-Y671 HydrophobicContact CG-CD2 4.03Å; L425-Y671 HydrophobicContact CG-CE1 4.07Å; L425-Y671 HydrophobicContact CG-CE2 4.04Å; L425-Y671 HydrophobicContact CG-CG 4.05Å
426	G	95.7	Very high	92.1	Very high	2 Å²	2	24.1 Å²	24.1	2%	0.021	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.4	0.4	-173.2	0	0	0	0	0	115.3	L424 T428 Q445 Y671	L424-G426 PolarHBondContact O-N 3.1Å; G426-T428 PolarHBondContact O-N 3.32Å; G426-Q445 PolarHBondContact N-O 2.81Å; G426-Y671 WeakPolarHBondContact CA-OH 3.38Å
427	E	97.8	Very high	92.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.146	C	C	.	.			trans	-56.9	137.4	166	-168.6	175.6	134	0	0	109.5	S371 L373 P423 L424 L425 E444 Q445 S619 R622 I710 Y711	S371-E427 VanDerWaalsContact CB-OE1 3.25Å; S371-E427 WeakPolarHBondContact CB-OE1 3.33Å; S371-E427 PolarHBondContact OG-OE1 2.89Å; L373-E427 HydrophobicContact CD1-CB 4.06Å; L373-E427 HydrophobicContact CD1-CG 3.9Å; L373-E427 VanDerWaalsContact CD1-O 3.26Å; L373-E427 WeakPolarHBondContact CD1-O 3.3Å; P423-E427 WeakPolarHBondContact CA-OE2 3.35Å; P423-E427 HydrophobicContact CB-CB 4.2Å; L424-E427 HydrophobicContact CB-CB 4.09Å; L424-E427 PolarHBondContact N-OE2 3.49Å; L424-E427 WeakPolarHBondContact O-CB 3.49Å; L424-E427 PolarHBondContact O-N 2.79Å; L425-E427 PolarHBondContact O-N 3.41Å; E427-E444 CarbonylContact O-C 3.53Å; E427-E444 VanDerWaalsContact O-CA 3.29Å; E427-E444 WeakPolarHBondContact O-CA 3.39Å; E427-Q445 HydrophobicContact CB-CB 4.46Å; E427-Q445 PolarHBondContact O-N 3.3Å; E427-S619 WeakPolarHBondContact OE1-CB 3.35Å; E427-S619 PolarHBondContact OE1-OG 2.84Å; E427-R622 IonicContact OE2-NH1 3.66Å; E427-R622 PolarHBondContact OE2-NH1 3.28Å; E427-I710 VanDerWaalsContact CA-CD1 3.42Å; E427-I710 HydrophobicContact CB-CD1 3.98Å; E427-I710 HydrophobicContact CG-CD1 4.47Å; E427-Y711 WeakPolarHBondContact CG-OH 3.44Å
428	T	98.3	Very high	92.9	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	158.4	178.1	56.3	0	0	0	0	110.1	G426 S443 E444 T617 D618 S619	G426-T428 PolarHBondContact O-N 3.32Å; T428-S443 CarbonylContact C-O 3.46Å; T428-S443 WeakPolarHBondContact CA-O 3.41Å; T428-E444 HydrophobicContact CG2-CB 4.47Å; T428-E444 HydrophobicContact CG2-CG 4.27Å; T428-T617 WeakPolarHBondContact CG2-OG1 3.46Å; T428-T617 PolarHBondContact N-O 3.32Å; T428-T617 PolarHBondContact OG1-O 2.82Å; T428-T617 PolarHBondContact OG1-OG1 3.09Å; T428-D618 CarbonylContact O-C 3.6Å; T428-D618 WeakPolarHBondContact O-CA 3.48Å; T428-D618 PolarHBondContact OG1-N 3.15Å; T428-S619 PolarHBondContact O-N 2.89Å; T428-S619 PolarHBondContact O-OG 3.34Å
429	Y	98.6	Very high	93.6	Very high	2 Å²	2	23 Å²	23	1%	0.008	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	127.8	164.4	174.2	-113.6	0	0	0	110	Q374 T377 C431 V442 S443 L607 R620	Q374-Y429 HydrophobicContact CB-CD1 4.4Å; Q374-Y429 HydrophobicContact CB-CE1 4.26Å; Q374-Y429 HydrophobicContact CG-CD1 3.79Å; Q374-Y429 HydrophobicContact CG-CD2 3.59Å; Q374-Y429 HydrophobicContact CG-CE1 3.72Å; Q374-Y429 HydrophobicContact CG-CE2 3.53Å; Q374-Y429 HydrophobicContact CG-CG 3.73Å; T377-Y429 HydrophobicContact CG2-CE1 3.93Å; T377-Y429 WeakPolarHBondContact OG1-CD1 3.16Å; T377-Y429 WeakPolarHBondContact OG1-CE1 3.37Å; Y429-C431 HydrophobicContact CE1-CB 3.82Å; Y429-V442 CarbonylContact O-C 3.56Å; Y429-V442 WeakPolarHBondContact O-CA 3.29Å; Y429-S443 PolarHBondContact N-O 2.78Å; Y429-S443 PolarHBondContact O-N 2.85Å; Y429-S443 PolarHBondContact O-OG 3.42Å; Y429-L607 HydrophobicContact CE1-CD2 4.4Å; Y429-L607 WeakPolarHBondContact CE2-O 3.37Å; Y429-L607 WeakPolarHBondContact OH-CA 3.21Å; Y429-L607 VanDerWaalsContact OH-CD2 3.3Å; Y429-L607 WeakPolarHBondContact OH-CD2 3.41Å; Y429-L607 PolarHBondContact OH-O 3.21Å; Y429-R620 HydrophobicContact CE2-CG 4.44Å
430	E	97.7	Very high	94.3	Very high	1 Å²	1	22 Å²	22	1%	0.005	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	133.4	176.8	-170.5	-141.2	121.4	0	0	111.3	S441 V442 D618 R620 Y695 W696 K699	E430-S441 CarbonylContact C-O 3.44Å; E430-S441 WeakPolarHBondContact CA-O 3.43Å; E430-V442 HydrophobicContact CG-CG2 4.07Å; E430-D618 PolarHBondContact N-OD2 3.42Å; E430-R620 PolarHBondContact O-NH1 3.2Å; E430-R620 PolarHBondContact O-NH2 2.86Å; E430-Y695 HydrophobicContact CB-CE1 3.94Å; E430-Y695 WeakPolarHBondContact CB-OH 3.44Å; E430-Y695 HydrophobicContact CG-CE1 3.69Å; E430-Y695 WeakPolarHBondContact OE2-CE1 3.42Å; E430-Y695 PolarHBondContact OE2-OH 3.47Å; E430-W696 VanDerWaalsContact CD-CZ3 3.47Å; E430-W696 HydrophobicContact CG-CH2 3.44Å; E430-W696 VanDerWaalsContact CG-CH2 3.44Å; E430-W696 HydrophobicContact CG-CZ3 3.53Å; E430-K699 IonicContact OE1-NZ 3.24Å; E430-K699 PolarHBondContact OE1-NZ 2.92Å; E430-K699 WeakPolarHBondContact OE2-CD 3.46Å; E430-K699 VanDerWaalsContact OE2-CE 3.28Å; E430-K699 WeakPolarHBondContact OE2-CE 3.5Å; E430-K699 IonicContact OE2-NZ 3.7Å; E430-K699 PolarHBondContact OE2-NZ 2.89Å
431	C	97.8	Very high	94.7	Very high	6 Å²	6	21.4 Å²	21.4	4%	0.041	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	106	172.1	-171.7	0	0	0	0	109.7	T377 Y429 W439 R440 S441	T377-C431 HydrophobicContact CG2-CB 3.69Å; Y429-C431 HydrophobicContact CE1-CB 3.82Å; C431-W439 HydrophobicContact CB-CH2 4.49Å; C431-W439 HydrophobicContact CB-CZ3 4.21Å; C431-R440 CarbonylContact O-C 3.59Å; C431-R440 VanDerWaalsContact O-CA 3.24Å; C431-R440 WeakPolarHBondContact O-CA 3.41Å; C431-S441 PolarHBondContact N-O 2.84Å; C431-S441 PolarHBondContact O-N 2.8Å
432	D	95.6	Very high	95	Very high	43 Å²	43	21.3 Å²	21.3	23%	0.23	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	112.1	173.6	-167.2	-21.4	0	0	0	110.1	R331 T434 R440	R331-D432 PolarHBondContact NH2-O 2.91Å; D432-T434 VanDerWaalsContact OD1-CB 3.31Å; D432-T434 WeakPolarHBondContact OD1-CB 3.31Å; D432-T434 PolarHBondContact OD1-N 3.05Å; D432-T434 PolarHBondContact OD1-OG1 2.79Å; D432-R440 HydrophobicContact CB-CB 4.24Å
433	R	94.4	Very high	95.4	Very high	7 Å²	7	18.1 Å²	18.1	3%	0.026	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	22.8	176.6	-55.7	-59.9	-64.6	-108.7	4.1	110.4	D435 D436 M437 G438 W439 F603	R433-D435 PolarHBondContact O-N 3.4Å; R433-D436 WeakPolarHBondContact CA-OD1 3.48Å; R433-D436 WeakPolarHBondContact CB-OD1 3.49Å; R433-D436 IonicContact CZ-OD1 3.5Å; R433-D436 IonicContact CZ-OD2 2.7Å; R433-D436 VanDerWaalsContact CZ-OD2 3.3Å; R433-D436 IonicContact NE-OD1 2.75Å; R433-D436 PolarHBondContact NE-OD1 2.78Å; R433-D436 IonicContact NE-OD2 3.23Å; R433-D436 PolarHBondContact NE-OD2 2.9Å; R433-D436 IonicContact NH2-OD1 3.58Å; R433-D436 IonicContact NH2-OD2 2.83Å; R433-D436 PolarHBondContact NH2-OD2 2.76Å; R433-D436 PolarHBondContact O-N 2.7Å; R433-M437 HydrophobicContact CB-CB 3.81Å; R433-M437 HydrophobicContact CB-CG 4.15Å; R433-M437 HydrophobicContact CB-SD 4.34Å; R433-M437 HydrophobicContact CG-SD 4.25Å; R433-M437 CarbonylContact O-C 3.44Å; R433-M437 WeakPolarHBondContact O-CA 3.46Å; R433-M437 PolarHBondContact O-N 3.23Å; R433-G438 PolarHBondContact O-N 3.25Å; R433-W439 CarbonylContact C-O 3.45Å; R433-W439 WeakPolarHBondContact CA-O 3.38Å; R433-W439 HydrophobicContact CB-CD2 4.21Å; R433-W439 HydrophobicContact CB-CE3 4.47Å; R433-W439 HydrophobicContact CB-CH2 4.4Å; R433-W439 HydrophobicContact CB-CZ2 4.16Å; R433-W439 WeakPolarHBondContact CB-O 3.49Å; R433-W439 HydrophobicContact CG-CH2 3.7Å; R433-W439 HydrophobicContact CG-CZ2 3.74Å; R433-W439 HydrophobicContact CG-CZ3 4.1Å; R433-W439 PolarHBondContact N-O 3.48Å; R433-F603 VanDerWaalsContact NH1-CE2 3.28Å
434	T	93.1	Very high	95.6	Very high	74 Å²	74	18.1 Å²	18.1	45%	0.454	10%	0.096	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-26.9	-179.2	-62.6	0	0	0	0	111.3	D432 W439	D432-T434 VanDerWaalsContact OD1-CB 3.31Å; D432-T434 WeakPolarHBondContact OD1-CB 3.31Å; D432-T434 PolarHBondContact OD1-N 3.05Å; D432-T434 PolarHBondContact OD1-OG1 2.79Å; T434-W439 PolarHBondContact N-O 3.34Å
435	D	90.8	Very high	95.7	Very high	29 Å²	29	18 Å²	18	16%	0.155	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-26.1	-179.9	66.1	-32.1	0	0	0	115	P325 R329 R331 R433	P325-D435 WeakPolarHBondContact CD-O 3.3Å; R329-D435 WeakPolarHBondContact CG-OD2 3.43Å; R329-D435 PolarHBondContact N-OD2 3.14Å; R329-D435 IonicContact NE-OD2 3.16Å; R331-D435 IonicContact NH2-OD1 3.3Å; R331-D435 PolarHBondContact NH2-OD1 2.66Å; R433-D435 PolarHBondContact O-N 3.4Å
436	D	90.8	Very high	95.6	Very high	34 Å²	34	16.4 Å²	16.4	18%	0.182	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.1	-36.5	-175.8	62.5	-5.7	0	0	0	115.2	R331 R433	R331-D436 IonicContact NE-OD2 2.58Å; R433-D436 WeakPolarHBondContact CA-OD1 3.48Å; R433-D436 WeakPolarHBondContact CB-OD1 3.49Å; R433-D436 IonicContact CZ-OD1 3.5Å; R433-D436 IonicContact CZ-OD2 2.7Å; R433-D436 VanDerWaalsContact CZ-OD2 3.3Å; R433-D436 IonicContact NE-OD1 2.75Å; R433-D436 PolarHBondContact NE-OD1 2.78Å; R433-D436 IonicContact NE-OD2 3.23Å; R433-D436 PolarHBondContact NE-OD2 2.9Å; R433-D436 IonicContact NH2-OD1 3.58Å; R433-D436 IonicContact NH2-OD2 2.83Å; R433-D436 PolarHBondContact NH2-OD2 2.76Å; R433-D436 PolarHBondContact O-N 2.7Å
437	M	92.3	Very high	95.2	Very high	49 Å²	49	17.8 Å²	17.8	24%	0.241	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	-6.4	178.9	-55.7	-176.7	160.5	0	0	114.1	R433 W439 F603	R433-M437 HydrophobicContact CB-CB 3.81Å; R433-M437 HydrophobicContact CB-CG 4.15Å; R433-M437 HydrophobicContact CB-SD 4.34Å; R433-M437 HydrophobicContact CG-SD 4.25Å; R433-M437 CarbonylContact O-C 3.44Å; R433-M437 WeakPolarHBondContact O-CA 3.46Å; R433-M437 PolarHBondContact O-N 3.23Å; M437-W439 VanDerWaalsContact CB-NE1 3.33Å; M437-W439 VanDerWaalsContact O-CD1 3.29Å; M437-W439 HydrophobicContact SD-CZ2 3.94Å; M437-F603 HydrophobicContact CE-CD2 3.73Å; M437-F603 HydrophobicContact CE-CE2 3.92Å; M437-F603 HydrophobicContact SD-CD2 4.16Å; M437-F603 HydrophobicContact SD-CE2 3.71Å
438	G	93.1	Very high	94.3	Very high	15 Å²	15	19.9 Å²	19.9	16%	0.155	11%	0.106	C	C	.	.	S	Bend	trans	77.5	15.2	174.2	0	0	0	0	0	115.5	R433 S459	R433-G438 PolarHBondContact O-N 3.25Å; G438-S459 WeakPolarHBondContact O-CA 3.35Å; G438-S459 WeakPolarHBondContact O-CB 3.48Å
439	W	96.4	Very high	92.8	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	160.3	179.5	61.6	-97.8	0	0	0	112.4	T377 L380 S383 C431 R433 T434 M437 E458 W462 F603	T377-W439 HydrophobicContact CG2-CH2 3.89Å; T377-W439 HydrophobicContact CG2-CZ3 4.1Å; L380-W439 HydrophobicContact CB-CH2 3.9Å; L380-W439 HydrophobicContact CB-CZ2 3.67Å; L380-W439 HydrophobicContact CB-CZ3 4.44Å; L380-W439 HydrophobicContact CD1-CD2 4.3Å; L380-W439 HydrophobicContact CD1-CE3 3.82Å; L380-W439 HydrophobicContact CD1-CH2 3.94Å; L380-W439 HydrophobicContact CD1-CZ2 4.36Å; L380-W439 HydrophobicContact CD1-CZ3 3.64Å; S383-W439 VanDerWaalsContact OG-CD1 3.26Å; S383-W439 PolarHBondContact OG-NE1 3.03Å; C431-W439 HydrophobicContact CB-CH2 4.49Å; C431-W439 HydrophobicContact CB-CZ3 4.21Å; R433-W439 CarbonylContact C-O 3.45Å; R433-W439 WeakPolarHBondContact CA-O 3.38Å; R433-W439 HydrophobicContact CB-CD2 4.21Å; R433-W439 HydrophobicContact CB-CE3 4.47Å; R433-W439 HydrophobicContact CB-CH2 4.4Å; R433-W439 HydrophobicContact CB-CZ2 4.16Å; R433-W439 WeakPolarHBondContact CB-O 3.49Å; R433-W439 HydrophobicContact CG-CH2 3.7Å; R433-W439 HydrophobicContact CG-CZ2 3.74Å; R433-W439 HydrophobicContact CG-CZ3 4.1Å; R433-W439 PolarHBondContact N-O 3.48Å; T434-W439 PolarHBondContact N-O 3.34Å; M437-W439 VanDerWaalsContact CB-NE1 3.33Å; M437-W439 VanDerWaalsContact O-CD1 3.29Å; M437-W439 HydrophobicContact SD-CZ2 3.94Å; W439-E458 CarbonylContact C-O 3.59Å; W439-E458 WeakPolarHBondContact CA-O 3.49Å; W439-E458 WeakPolarHBondContact CB-O 3.46Å; W439-W462 HydrophobicContact CB-CH2 3.62Å; W439-W462 HydrophobicContact CB-CZ2 3.76Å; W439-W462 AromaticContact CG-CH2 3.87Å; W439-W462 HydrophobicContact CG-CH2 3.87Å; W439-W462 HydrophobicContact CG-CZ2 4.03Å; W439-F603 HydrophobicContact CH2-CE2 4.31Å; W439-F603 AromaticContact CH2-CZ 3.78Å; W439-F603 HydrophobicContact CH2-CZ 3.78Å; W439-F603 HydrophobicContact CZ2-CE2 4Å; W439-F603 AromaticContact CZ2-CZ 3.65Å; W439-F603 HydrophobicContact CZ2-CZ 3.65Å
440	R	96.9	Very high	91.5	Very high	79 Å²	79	27.5 Å²	27.5	30%	0.298	15%	0.146	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157	170.7	63.4	-176.7	-176.1	-175.4	-0.3	110.8	C431 D432 A457 E458 W696	C431-R440 CarbonylContact O-C 3.59Å; C431-R440 VanDerWaalsContact O-CA 3.24Å; C431-R440 WeakPolarHBondContact O-CA 3.41Å; D432-R440 HydrophobicContact CB-CB 4.24Å; R440-A457 CarbonylContact O-C 3.54Å; R440-A457 VanDerWaalsContact O-CA 3.23Å; R440-A457 WeakPolarHBondContact O-CA 3.49Å; R440-E458 HydrophobicContact CG-CG 4Å; R440-E458 IonicContact CZ-OE1 3.18Å; R440-E458 VanDerWaalsContact CZ-OE1 3.23Å; R440-E458 PolarHBondContact N-O 2.84Å; R440-E458 IonicContact NE-OE1 3.23Å; R440-E458 PolarHBondContact NE-OE1 2.84Å; R440-E458 IonicContact NH2-OE1 3.79Å; R440-E458 PolarHBondContact NH2-OE1 2.88Å; R440-E458 PolarHBondContact O-N 3.33Å; R440-W696 HydrophobicContact CB-CH2 3.97Å; R440-W696 HydrophobicContact CB-CZ2 3.99Å; R440-W696 HydrophobicContact CG-CH2 4.05Å; R440-W696 HydrophobicContact CG-CZ2 3.63Å
441	S	98	Very high	90.6	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	150.9	-178.1	70.5	0	0	0	0	112.8	T377 E430 C431 Y456	T377-S441 WeakPolarHBondContact CG2-OG 3.42Å; E430-S441 CarbonylContact C-O 3.44Å; E430-S441 WeakPolarHBondContact CA-O 3.43Å; C431-S441 PolarHBondContact N-O 2.84Å; C431-S441 PolarHBondContact O-N 2.8Å; S441-Y456 CarbonylContact C-O 3.59Å; S441-Y456 WeakPolarHBondContact CA-O 3.36Å; S441-Y456 WeakPolarHBondContact CB-O 3.41Å
442	V	98.1	Very high	90.1	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	139.2	170.7	170.8	0	0	0	0	108	Y429 E430 L455 Y456 F676 F691 Y695 W696	Y429-V442 CarbonylContact O-C 3.56Å; Y429-V442 WeakPolarHBondContact O-CA 3.29Å; E430-V442 HydrophobicContact CG-CG2 4.07Å; V442-L455 WeakPolarHBondContact O-CA 3.35Å; V442-Y456 PolarHBondContact N-O 2.83Å; V442-Y456 PolarHBondContact O-N 3.22Å; V442-F676 HydrophobicContact CG1-CE2 4.36Å; V442-F691 HydrophobicContact CB-CE2 4.21Å; V442-F691 HydrophobicContact CG1-CE2 4.13Å; V442-Y695 HydrophobicContact CG1-CD1 4.39Å; V442-Y695 HydrophobicContact CG1-CD2 3.9Å; V442-Y695 HydrophobicContact CG1-CE2 4.37Å; V442-Y695 HydrophobicContact CG1-CG 3.92Å; V442-Y695 HydrophobicContact CG2-CD1 3.46Å; V442-Y695 VanDerWaalsContact CG2-CD1 3.46Å; V442-Y695 HydrophobicContact CG2-CD2 4.42Å; V442-Y695 HydrophobicContact CG2-CE1 3.86Å; V442-Y695 HydrophobicContact CG2-CG 3.81Å; V442-W696 HydrophobicContact CG2-CD2 4.37Å; V442-W696 HydrophobicContact CG2-CH2 3.66Å; V442-W696 HydrophobicContact CG2-CZ2 3.37Å; V442-W696 HydrophobicContact CG2-CZ3 4.28Å
443	S	97.5	Very high	89.9	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	154	171	58.2	0	0	0	0	111.5	T428 Y429 A454	T428-S443 CarbonylContact C-O 3.46Å; T428-S443 WeakPolarHBondContact CA-O 3.41Å; Y429-S443 PolarHBondContact N-O 2.78Å; Y429-S443 PolarHBondContact O-N 2.85Å; Y429-S443 PolarHBondContact O-OG 3.42Å; S443-A454 CarbonylContact C-O 3.59Å; S443-A454 WeakPolarHBondContact CA-O 3.28Å; S443-A454 VanDerWaalsContact CB-O 3.25Å; S443-A454 WeakPolarHBondContact CB-O 3.47Å
444	E	97.5	Very high	89.9	Confident	2 Å²	2	25.9 Å²	25.9	1%	0.009	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	139.3	178.6	-173.6	-177	166.6	0	0	109.7	E427 T428 V446 A453 A454 Y671 P673 L674 W675 F676	E427-E444 CarbonylContact O-C 3.53Å; E427-E444 VanDerWaalsContact O-CA 3.29Å; E427-E444 WeakPolarHBondContact O-CA 3.39Å; T428-E444 HydrophobicContact CG2-CB 4.47Å; T428-E444 HydrophobicContact CG2-CG 4.27Å; E444-V446 HydrophobicContact CB-CG1 4.16Å; E444-V446 HydrophobicContact CG-CG1 4.26Å; E444-V446 PolarHBondContact O-N 3.1Å; E444-A453 WeakPolarHBondContact O-CA 3.18Å; E444-A454 PolarHBondContact N-O 2.76Å; E444-A454 PolarHBondContact O-N 3.03Å; E444-Y671 PolarHBondContact OE1-OH 2.97Å; E444-P673 WeakPolarHBondContact OE1-CA 3.33Å; E444-P673 VanDerWaalsContact OE1-CB 3.31Å; E444-P673 WeakPolarHBondContact OE1-CB 3.39Å; E444-L674 PolarHBondContact OE1-N 2.96Å; E444-L674 PolarHBondContact OE2-N 2.91Å; E444-W675 WeakPolarHBondContact OE2-CB 3.28Å; E444-W675 PolarHBondContact OE2-N 3.42Å; E444-F676 HydrophobicContact CB-CD2 3.7Å; E444-F676 HydrophobicContact CB-CE2 3.68Å
445	Q	95.3	Very high	90.1	Very high	1 Å²	1	22.5 Å²	22.5	1%	0.005	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	100.4	166.2	-174.5	70.5	19.9	0	0	109.3	P423 L424 G426 E427 S447 A452	P423-Q445 HydrophobicContact CB-CB 3.86Å; P423-Q445 HydrophobicContact CB-CG 4Å; L424-Q445 WeakPolarHBondContact O-CB 3.3Å; L424-Q445 VanDerWaalsContact O-CG 3.3Å; L424-Q445 WeakPolarHBondContact O-CG 3.39Å; G426-Q445 PolarHBondContact N-O 2.81Å; E427-Q445 HydrophobicContact CB-CB 4.46Å; E427-Q445 PolarHBondContact O-N 3.3Å; Q445-S447 PolarHBondContact NE2-O 2.91Å; Q445-A452 CarbonylContact C-O 3.56Å; Q445-A452 PolarHBondContact NE2-O 2.89Å
446	V	92.4	Very high	90.4	Very high	1 Å²	1	22.1 Å²	22.1	1%	0.006	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-11.5	-169.8	-60.5	0	0	0	0	114.5	E444 A452 A454 F467 P673 F676	E444-V446 HydrophobicContact CB-CG1 4.16Å; E444-V446 HydrophobicContact CG-CG1 4.26Å; E444-V446 PolarHBondContact O-N 3.1Å; V446-A452 HydrophobicContact CG2-CB 3.99Å; V446-A452 WeakPolarHBondContact CG2-O 3.39Å; V446-A452 PolarHBondContact N-O 2.9Å; V446-A454 HydrophobicContact CG1-CB 3.65Å; V446-A454 HydrophobicContact CG2-CB 4.38Å; V446-F467 HydrophobicContact CG2-CE2 3.95Å; V446-P673 HydrophobicContact CB-CB 4.11Å; V446-P673 HydrophobicContact CB-CG 3.51Å; V446-P673 HydrophobicContact CG1-CB 3.76Å; V446-P673 HydrophobicContact CG1-CG 3.73Å; V446-F676 HydrophobicContact CG1-CB 4.4Å; V446-F676 HydrophobicContact CG1-CD2 4.47Å
447	S	86.8	Confident	90.8	Very high	31 Å²	31	20.5 Å²	20.5	22%	0.217	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	148.3	177.6	-176.1	0	0	0	0	110.8	Q445 P450 P451 A452	Q445-S447 PolarHBondContact NE2-O 2.91Å; S447-P450 VanDerWaalsContact CB-O 3.31Å; S447-P450 WeakPolarHBondContact CB-O 3.43Å; S447-P450 PolarHBondContact OG-O 2.77Å; S447-P451 CarbonylContact O-C 3.57Å; S447-P451 WeakPolarHBondContact O-CA 3.39Å; S447-A452 PolarHBondContact N-O 2.91Å; S447-A452 VanDerWaalsContact N-O 3.14Å; S447-A452 PolarHBondContact O-N 2.66Å
448	H	77.9	Confident	91	Very high	43 Å²	43	19.7 Å²	19.7	20%	0.199	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-34.4	178.6	-171.2	62.9	0	0	0	113.2	L425 P450 P451 R651	L425-H448 HydrophobicContact CB-CB 4.27Å; L425-H448 HydrophobicContact CD1-CB 4.23Å; L425-H448 HydrophobicContact CD2-CB 4.5Å; H448-P450 CarbonylContact C-O 3.52Å; H448-P450 CarbonylContact O-C 3.5Å; H448-P450 VanDerWaalsContact O-C 3.28Å; H448-P451 WeakPolarHBondContact O-CA 3.44Å; H448-P451 WeakPolarHBondContact O-CD 3.43Å; H448-P451 VanDerWaalsContact O-CG 3.23Å; H448-P451 WeakPolarHBondContact O-CG 3.18Å; H448-R651 PolarHBondContact CD2-NH2 3.49Å; H448-R651 PolarHBondContact NE2-NH2 3.47Å
449	H	68.5	Low	91.1	Very high	114 Å²	114	19.9 Å²	19.9	53%	0.528	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.7	97	176.2	-72.9	-63.2	0	0	0	111.4	R651	H449-R651 VanDerWaalsContact CD2-CZ 3.47Å; H449-R651 PolarHBondContact CD2-NH1 3.34Å; H449-R651 PolarHBondContact NE2-NH1 3.16Å; H449-R651 PolarHBondContact NE2-NH2 2.83Å; H449-R651 VanDerWaalsContact NE2-NH2 3.18Å
450	P	70.5	Confident	91	Very high	48 Å²	48	27 Å²	27	31%	0.312	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	cis	-72.6	155.4	-3.9	28.5	-32.3	0	0	0	112.2	S447 H448 A452 K470	S447-P450 VanDerWaalsContact CB-O 3.31Å; S447-P450 WeakPolarHBondContact CB-O 3.43Å; S447-P450 PolarHBondContact OG-O 2.77Å; H448-P450 CarbonylContact C-O 3.52Å; H448-P450 CarbonylContact O-C 3.5Å; H448-P450 VanDerWaalsContact O-C 3.28Å; P450-A452 PolarHBondContact O-N 3.36Å; P450-K470 HydrophobicContact CB-CB 4.02Å; P450-K470 HydrophobicContact CB-CD 4.07Å; P450-K470 HydrophobicContact CB-CG 3.67Å; P450-K470 HydrophobicContact CG-CB 4.34Å; P450-K470 HydrophobicContact CG-CD 3.69Å; P450-K470 HydrophobicContact CG-CG 3.43Å; P450-K470 VanDerWaalsContact CG-CG 3.43Å
451	P	78.9	Confident	90.8	Very high	15 Å²	15	25.9 Å²	25.9	10%	0.097	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.8	131.8	176	-26.8	35.3	0	0	0	111.6	S447 H448 G469 K470 Y471	S447-P451 CarbonylContact O-C 3.57Å; S447-P451 WeakPolarHBondContact O-CA 3.39Å; H448-P451 WeakPolarHBondContact O-CA 3.44Å; H448-P451 WeakPolarHBondContact O-CD 3.43Å; H448-P451 VanDerWaalsContact O-CG 3.23Å; H448-P451 WeakPolarHBondContact O-CG 3.18Å; P451-G469 CarbonylContact O-C 3.54Å; P451-K470 PolarHBondContact O-N 2.98Å; P451-Y471 HydrophobicContact CB-CD1 3.81Å; P451-Y471 HydrophobicContact CB-CE1 3.15Å; P451-Y471 HydrophobicContact CB-CE2 4.13Å; P451-Y471 WeakPolarHBondContact CB-OH 3.49Å; P451-Y471 HydrophobicContact CG-CE1 4.15Å; P451-Y471 HydrophobicContact CG-CE2 4.29Å
452	A	87.1	Confident	90.8	Very high	4 Å²	4	26 Å²	26	3%	0.033	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	142.2	173	0	0	0	0	0	112.1	Q445 V446 S447 P450 F467 R468	Q445-A452 CarbonylContact C-O 3.56Å; Q445-A452 PolarHBondContact NE2-O 2.89Å; V446-A452 HydrophobicContact CG2-CB 3.99Å; V446-A452 WeakPolarHBondContact CG2-O 3.39Å; V446-A452 PolarHBondContact N-O 2.9Å; S447-A452 PolarHBondContact N-O 2.91Å; S447-A452 VanDerWaalsContact N-O 3.14Å; S447-A452 PolarHBondContact O-N 2.66Å; P450-A452 PolarHBondContact O-N 3.36Å; A452-F467 HydrophobicContact CB-CE2 3.82Å; A452-F467 HydrophobicContact CB-CZ 4.1Å; A452-R468 CarbonylContact C-O 3.57Å; A452-R468 WeakPolarHBondContact CA-O 3.37Å; A452-R468 WeakPolarHBondContact CB-O 3.33Å
453	A	92	Very high	90.7	Very high	5 Å²	5	29.8 Å²	29.8	4%	0.041	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	142.8	176.5	0	0	0	0	0	110.2	L373 L376 E444 R468	L373-A453 HydrophobicContact CD2-CB 3.73Å; L376-A453 HydrophobicContact CD1-CB 3.61Å; E444-A453 WeakPolarHBondContact O-CA 3.18Å; A453-R468 PolarHBondContact N-O 3.08Å; A453-R468 PolarHBondContact O-N 3.23Å
454	A	94.5	Very high	90.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	137.6	172.2	0	0	0	0	0	109	S443 E444 V446 K466 F676 H689	S443-A454 CarbonylContact C-O 3.59Å; S443-A454 WeakPolarHBondContact CA-O 3.28Å; S443-A454 VanDerWaalsContact CB-O 3.25Å; S443-A454 WeakPolarHBondContact CB-O 3.47Å; E444-A454 PolarHBondContact N-O 2.76Å; E444-A454 PolarHBondContact O-N 3.03Å; V446-A454 HydrophobicContact CG1-CB 3.65Å; V446-A454 HydrophobicContact CG2-CB 4.38Å; A454-K466 WeakPolarHBondContact CA-O 3.32Å; A454-F676 HydrophobicContact CB-CB 4.34Å; A454-F676 HydrophobicContact CB-CD1 3.56Å; A454-F676 HydrophobicContact CB-CD2 3.97Å; A454-F676 HydrophobicContact CB-CE1 3.73Å; A454-F676 HydrophobicContact CB-CE2 4.14Å; A454-F676 HydrophobicContact CB-CG 3.7Å; A454-F676 HydrophobicContact CB-CZ 4.03Å; A454-H689 HydrophobicContact CB-CB 3.63Å
455	L	96.7	Very high	90.1	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.1	173.4	175.4	152.8	0	0	0	109.1	L376 V442 A457 S465 K466	L376-L455 HydrophobicContact CB-CD1 3.73Å; V442-L455 WeakPolarHBondContact O-CA 3.35Å; L455-A457 HydrophobicContact CD2-CB 4.2Å; L455-S465 CarbonylContact O-C 3.57Å; L455-S465 WeakPolarHBondContact O-CA 3.42Å; L455-K466 HydrophobicContact CB-CB 4.31Å; L455-K466 HydrophobicContact CD2-CD 4.47Å; L455-K466 HydrophobicContact CD2-CG 4.4Å; L455-K466 PolarHBondContact N-O 3.05Å; L455-K466 PolarHBondContact O-N 3.23Å
456	Y	97.7	Very high	89.5	Confident	22 Å²	22	32.1 Å²	32.1	9%	0.086	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.2	168.4	175.2	-96.5	0	0	0	108.9	S441 V442 E458 K463 L464 F691	S441-Y456 CarbonylContact C-O 3.59Å; S441-Y456 WeakPolarHBondContact CA-O 3.36Å; S441-Y456 WeakPolarHBondContact CB-O 3.41Å; V442-Y456 PolarHBondContact N-O 2.83Å; V442-Y456 PolarHBondContact O-N 3.22Å; Y456-E458 HydrophobicContact CE1-CB 3.91Å; Y456-E458 HydrophobicContact CE1-CG 3.92Å; Y456-E458 VanDerWaalsContact CE1-OE2 3.3Å; Y456-E458 WeakPolarHBondContact CE1-OE2 3.36Å; Y456-E458 PolarHBondContact OH-OE2 3.18Å; Y456-K463 HydrophobicContact CE2-CB 4.5Å; Y456-L464 CarbonylContact C-O 3.59Å; Y456-L464 WeakPolarHBondContact CA-O 3.47Å; Y456-F691 HydrophobicContact CD1-CB 4.11Å; Y456-F691 AromaticContact CD1-CD1 3.25Å; Y456-F691 HydrophobicContact CD1-CD1 3.25Å; Y456-F691 AromaticContact CD1-CE1 3.68Å; Y456-F691 HydrophobicContact CD1-CE1 3.68Å; Y456-F691 AromaticContact CD1-CG 3.75Å; Y456-F691 HydrophobicContact CD1-CG 3.75Å; Y456-F691 HydrophobicContact CD2-CB 3.85Å; Y456-F691 HydrophobicContact CD2-CD1 4.28Å; Y456-F691 HydrophobicContact CD2-CG 4.39Å; Y456-F691 AromaticContact CE1-CD1 3.51Å; Y456-F691 HydrophobicContact CE1-CD1 3.51Å; Y456-F691 AromaticContact CE1-CE1 3.85Å; Y456-F691 HydrophobicContact CE1-CE1 3.85Å; Y456-F691 HydrophobicContact CE1-CG 4.4Å; Y456-F691 HydrophobicContact CE2-CD1 4.5Å; Y456-F691 HydrophobicContact CG-CB 3.58Å; Y456-F691 AromaticContact CG-CD1 3.67Å; Y456-F691 HydrophobicContact CG-CD1 3.67Å; Y456-F691 HydrophobicContact CG-CE1 4.49Å; Y456-F691 AromaticContact CG-CG 3.73Å; Y456-F691 HydrophobicContact CG-CG 3.73Å
457	A	98.1	Very high	88.6	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.5	173	0	0	0	0	0	109.8	L380 R440 L455 W462 K463 L464	L380-A457 HydrophobicContact CD1-CB 3.67Å; R440-A457 CarbonylContact O-C 3.54Å; R440-A457 VanDerWaalsContact O-CA 3.23Å; R440-A457 WeakPolarHBondContact O-CA 3.49Å; L455-A457 HydrophobicContact CD2-CB 4.2Å; A457-W462 HydrophobicContact CB-CZ3 4.11Å; A457-K463 CarbonylContact O-C 3.5Å; A457-K463 WeakPolarHBondContact O-CA 3.43Å; A457-L464 HydrophobicContact CB-CB 4.32Å; A457-L464 PolarHBondContact N-O 2.93Å; A457-L464 PolarHBondContact O-N 3.08Å
458	E	96.8	Very high	87.3	Confident	32 Å²	32	35 Å²	35	15%	0.15	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	145.4	-179.6	64.1	-175.7	-177.2	0	0	111.3	W439 R440 Y456 K463	W439-E458 CarbonylContact C-O 3.59Å; W439-E458 WeakPolarHBondContact CA-O 3.49Å; W439-E458 WeakPolarHBondContact CB-O 3.46Å; R440-E458 HydrophobicContact CG-CG 4Å; R440-E458 IonicContact CZ-OE1 3.18Å; R440-E458 VanDerWaalsContact CZ-OE1 3.23Å; R440-E458 PolarHBondContact N-O 2.84Å; R440-E458 IonicContact NE-OE1 3.23Å; R440-E458 PolarHBondContact NE-OE1 2.84Å; R440-E458 IonicContact NH2-OE1 3.79Å; R440-E458 PolarHBondContact NH2-OE1 2.88Å; R440-E458 PolarHBondContact O-N 3.33Å; Y456-E458 HydrophobicContact CE1-CB 3.91Å; Y456-E458 HydrophobicContact CE1-CG 3.92Å; Y456-E458 VanDerWaalsContact CE1-OE2 3.3Å; Y456-E458 WeakPolarHBondContact CE1-OE2 3.36Å; Y456-E458 PolarHBondContact OH-OE2 3.18Å; E458-K463 HydrophobicContact CB-CG 4.33Å
459	S	95.9	Very high	85.9	Confident	19 Å²	19	33.4 Å²	33.4	13%	0.133	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	-179.4	164.9	75.8	0	0	0	0	108.8	G438 R461 W462	G438-S459 WeakPolarHBondContact O-CA 3.35Å; G438-S459 WeakPolarHBondContact O-CB 3.48Å; S459-R461 PolarHBondContact O-N 3.15Å; S459-R461 PolarHBondContact OG-N 3.06Å; S459-W462 PolarHBondContact N-O 2.83Å; S459-W462 VanDerWaalsContact OG-CG 3.25Å; S459-W462 PolarHBondContact OG-N 3.48Å; S459-W462 PolarHBondContact OG-NE1 3.06Å; S459-W462 PolarHBondContact OG-O 2.92Å
460	E	93.6	Very high	85.1	Confident	150 Å²	150	33.6 Å²	33.6	70%	0.701	16%	0.163	S	C	*	.	S	Bend	trans	-60.9	-29.2	169.6	-65.2	-176.3	161.1	0	0	112.5	T485	E460-T485 PolarHBondContact O-OG1 3.37Å
461	R	94.1	Very high	83.8	Confident	55 Å²	55	34 Å²	34	21%	0.208	16%	0.159	C	C	.	.	S	Bend	trans	-103.5	-20.8	-169	-63.5	-177.3	-174.3	171	3.2	114.4	V320 D387 A390 Q391 S459 T485	V320-R461 PolarHBondContact O-NH1 3.47Å; V320-R461 PolarHBondContact O-NH2 2.87Å; D387-R461 PolarHBondContact O-NH1 2.82Å; A390-R461 HydrophobicContact CB-CB 3.83Å; A390-R461 HydrophobicContact CB-CG 4.5Å; Q391-R461 VanDerWaalsContact CD-NH1 3.33Å; S459-R461 PolarHBondContact O-N 3.15Å; S459-R461 PolarHBondContact OG-N 3.06Å; R461-T485 VanDerWaalsContact CA-OG1 3.26Å; R461-T485 WeakPolarHBondContact CA-OG1 3.24Å; R461-T485 PolarHBondContact O-N 2.95Å; R461-T485 PolarHBondContact O-OG1 3.49Å; R461-T485 VanDerWaalsContact O-OG1 3.08Å
462	W	96.7	Very high	81.7	Confident	1 Å²	1	40.5 Å²	40.5	0%	0.004	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	157.9	-174.3	52.6	-97.6	0	0	0	113.1	L380 V386 D387 W439 A457 S459 L464 L482 E483 F484	L380-W462 HydrophobicContact CD2-CH2 3.83Å; L380-W462 HydrophobicContact CD2-CZ3 4.21Å; V386-W462 HydrophobicContact CG1-CB 4.16Å; V386-W462 HydrophobicContact CG1-CD2 3.93Å; V386-W462 HydrophobicContact CG1-CG 3.62Å; D387-W462 PolarHBondContact OD1-NE1 3.06Å; W439-W462 HydrophobicContact CB-CH2 3.62Å; W439-W462 HydrophobicContact CB-CZ2 3.76Å; W439-W462 AromaticContact CG-CH2 3.87Å; W439-W462 HydrophobicContact CG-CH2 3.87Å; W439-W462 HydrophobicContact CG-CZ2 4.03Å; A457-W462 HydrophobicContact CB-CZ3 4.11Å; S459-W462 PolarHBondContact N-O 2.83Å; S459-W462 VanDerWaalsContact OG-CG 3.25Å; S459-W462 PolarHBondContact OG-N 3.48Å; S459-W462 PolarHBondContact OG-NE1 3.06Å; S459-W462 PolarHBondContact OG-O 2.92Å; W462-L464 HydrophobicContact CE3-CB 4.13Å; W462-L464 HydrophobicContact CZ3-CB 3.99Å; W462-L482 HydrophobicContact CB-CD1 3.98Å; W462-L482 HydrophobicContact CE3-CD1 4.41Å; W462-L482 HydrophobicContact CG-CD1 4.45Å; W462-E483 CarbonylContact C-O 3.59Å; W462-E483 WeakPolarHBondContact CA-O 3.4Å; W462-E483 WeakPolarHBondContact CB-O 3.04Å; W462-F484 HydrophobicContact CB-CD1 4.08Å; W462-F484 HydrophobicContact CB-CE1 4.36Å
463	K	95.6	Very high	79.4	Confident	81 Å²	81	43.4 Å²	43.4	35%	0.352	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	131.9	171.2	-63.1	175.2	-176.8	170.5	0	109.3	Y456 A457 E458 L482 E483 T485	Y456-K463 HydrophobicContact CE2-CB 4.5Å; A457-K463 CarbonylContact O-C 3.5Å; A457-K463 WeakPolarHBondContact O-CA 3.43Å; E458-K463 HydrophobicContact CB-CG 4.33Å; K463-L482 WeakPolarHBondContact O-CA 3.03Å; K463-E483 HydrophobicContact CB-CB 4.49Å; K463-E483 PolarHBondContact N-O 3.23Å; K463-E483 PolarHBondContact O-N 2.74Å; K463-T485 HydrophobicContact CG-CG2 4.33Å
464	L	94.8	Very high	77.4	Confident	1 Å²	1	47.5 Å²	47.5	1%	0.005	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.6	179.1	179	70.8	0	0	0	109.3	L380 F405 Y456 A457 W462 K466 H481 L482 W493	L380-L464 HydrophobicContact CD2-CD2 3.61Å; L380-L464 HydrophobicContact CG-CD2 4.37Å; F405-L464 HydrophobicContact CE1-CD1 4.42Å; F405-L464 HydrophobicContact CE1-CD2 4.24Å; F405-L464 HydrophobicContact CZ-CD2 4Å; Y456-L464 CarbonylContact C-O 3.59Å; Y456-L464 WeakPolarHBondContact CA-O 3.47Å; A457-L464 HydrophobicContact CB-CB 4.32Å; A457-L464 PolarHBondContact N-O 2.93Å; A457-L464 PolarHBondContact O-N 3.08Å; W462-L464 HydrophobicContact CE3-CB 4.13Å; W462-L464 HydrophobicContact CZ3-CB 3.99Å; L464-K466 HydrophobicContact CG-CG 4.47Å; L464-H481 CarbonylContact C-O 3.58Å; L464-H481 VanDerWaalsContact CA-O 3.32Å; L464-H481 WeakPolarHBondContact CA-O 3Å; L464-H481 WeakPolarHBondContact CD1-O 3.3Å; L464-L482 HydrophobicContact CB-CD1 4.44Å; L464-L482 HydrophobicContact CD1-CB 4.24Å; L464-L482 HydrophobicContact CD1-CD1 4.43Å; L464-W493 HydrophobicContact CD1-CH2 3.74Å; L464-W493 HydrophobicContact CD1-CZ2 4.37Å
465	S	88.2	Confident	75.3	Confident	39 Å²	39	50.8 Å²	50.8	27%	0.273	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.5	171.6	-60.4	0	0	0	0	110.1	L455 S480 H481	L455-S465 CarbonylContact O-C 3.57Å; L455-S465 WeakPolarHBondContact O-CA 3.42Å; S465-S480 WeakPolarHBondContact O-CA 3.42Å; S465-H481 PolarHBondContact N-O 3.24Å; S465-H481 PolarHBondContact O-N 2.71Å
466	K	82.5	Confident	73.4	Confident	12 Å²	12	51.5 Å²	51.5	5%	0.052	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	134.8	174.5	-60.1	-176.8	176.2	164.6	0	109.6	D379 A454 L455 L464	D379-K466 VanDerWaalsContact CG-NZ 3.31Å; D379-K466 IonicContact OD2-NZ 3.46Å; D379-K466 PolarHBondContact OD2-NZ 3Å; A454-K466 WeakPolarHBondContact CA-O 3.32Å; L455-K466 HydrophobicContact CB-CB 4.31Å; L455-K466 HydrophobicContact CD2-CD 4.47Å; L455-K466 HydrophobicContact CD2-CG 4.4Å; L455-K466 PolarHBondContact N-O 3.05Å; L455-K466 PolarHBondContact O-N 3.23Å; L464-K466 HydrophobicContact CG-CG 4.47Å
467	F	74.3	Confident	71.8	Confident	34 Å²	34	54.7 Å²	54.7	15%	0.149	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.4	166.9	176.8	-118.5	0	0	0	108	V446 A452 G478 Y479 V687 H689	V446-F467 HydrophobicContact CG2-CE2 3.95Å; A452-F467 HydrophobicContact CB-CE2 3.82Å; A452-F467 HydrophobicContact CB-CZ 4.1Å; F467-G478 CarbonylContact O-C 3.48Å; F467-G478 WeakPolarHBondContact O-CA 3.37Å; F467-Y479 PolarHBondContact N-O 3.24Å; F467-Y479 VanDerWaalsContact N-O 3.17Å; F467-Y479 PolarHBondContact O-N 3.21Å; F467-V687 VanDerWaalsContact CD1-O 3.27Å; F467-V687 WeakPolarHBondContact CD1-O 3.38Å; F467-V687 VanDerWaalsContact CE1-O 3.27Å; F467-V687 WeakPolarHBondContact CE1-O 3.34Å; F467-H689 HydrophobicContact CD2-CB 4.26Å; F467-H689 AromaticContact CD2-ND1 3.36Å; F467-H689 WeakPolarHBondContact CD2-ND1 3.32Å; F467-H689 AromaticContact CE2-CE1 3.41Å; F467-H689 VanDerWaalsContact CE2-CE1 3.41Å; F467-H689 WeakPolarHBondContact CE2-CE1 3.42Å; F467-H689 AromaticContact CE2-ND1 2.99Å; F467-H689 WeakPolarHBondContact CE2-ND1 3.47Å; F467-H689 AromaticContact CZ-CE1 3.76Å; F467-H689 AromaticContact CZ-ND1 3.58Å
468	R	58.4	Low	70.8	Confident	59 Å²	59	55.6 Å²	55.6	22%	0.223	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.2	171.1	-87.2	-158.8	167.7	150.9	-21.6	109	L376 A452 A453 M477	L376-R468 HydrophobicContact CD2-CG 4.33Å; A452-R468 CarbonylContact C-O 3.57Å; A452-R468 WeakPolarHBondContact CA-O 3.37Å; A452-R468 WeakPolarHBondContact CB-O 3.33Å; A453-R468 PolarHBondContact N-O 3.08Å; A453-R468 PolarHBondContact O-N 3.23Å; R468-M477 CarbonylContact C-O 3.53Å; R468-M477 VanDerWaalsContact CA-O 3.28Å; R468-M477 WeakPolarHBondContact CA-O 3.33Å
469	G	49	Very low	70.3	Confident	8 Å²	8	56.4 Å²	56.4	8%	0.082	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-111.7	166.7	170.5	0	0	0	0	0	112.6	P451 Y471 M477	P451-G469 CarbonylContact O-C 3.54Å; G469-Y471 PolarHBondContact O-N 2.81Å; G469-M477 PolarHBondContact N-O 2.87Å; G469-M477 VanDerWaalsContact O-CB 3.3Å; G469-M477 WeakPolarHBondContact O-CB 3.33Å
470	K	51.3	Low	70.2	Confident	118 Å²	118	55.9 Å²	55.9	51%	0.513	28%	0.278	S	S	.	.			trans	41.1	60.1	163.3	-44.2	-143.5	-175.5	178.8	0	116.9	P450 P451 L472	P450-K470 HydrophobicContact CB-CB 4.02Å; P450-K470 HydrophobicContact CB-CD 4.07Å; P450-K470 HydrophobicContact CB-CG 3.67Å; P450-K470 HydrophobicContact CG-CB 4.34Å; P450-K470 HydrophobicContact CG-CD 3.69Å; P450-K470 HydrophobicContact CG-CG 3.43Å; P450-K470 VanDerWaalsContact CG-CG 3.43Å; P451-K470 PolarHBondContact O-N 2.98Å; K470-L472 PolarHBondContact O-N 3.08Å
471	Y	43	Very low	70.2	Confident	56 Å²	56	49.1 Å²	49.1	22%	0.22	25%	0.247	C	C	.	.			trans	-90	22.8	178.7	64.9	-102.2	0	0	0	115.8	P451 G469 S473	P451-Y471 HydrophobicContact CB-CD1 3.81Å; P451-Y471 HydrophobicContact CB-CE1 3.15Å; P451-Y471 HydrophobicContact CB-CE2 4.13Å; P451-Y471 WeakPolarHBondContact CB-OH 3.49Å; P451-Y471 HydrophobicContact CG-CE1 4.15Å; P451-Y471 HydrophobicContact CG-CE2 4.29Å; G469-Y471 PolarHBondContact O-N 2.81Å; Y471-S473 CarbonylContact C-O 3.6Å; Y471-S473 WeakPolarHBondContact CA-O 3.45Å; Y471-S473 CarbonylContact O-C 3.57Å; Y471-S473 VanDerWaalsContact O-C 3.32Å; Y471-S473 PolarHBondContact O-N 2.91Å; Y471-S473 VanDerWaalsContact O-N 3.07Å
472	L	36.2	Very low	70.4	Confident	152 Å²	152	46.5 Å²	46.5	80%	0.796	24%	0.237	S	C	*	.	S	Bend	trans	-60.6	-23.4	-177.8	-132.1	139.4	0	0	0	112.5	K470	K470-L472 PolarHBondContact O-N 3.08Å
473	S	38.5	Very low	70.4	Confident	65 Å²	65	50 Å²	50	46%	0.455	25%	0.253	S	S	.	.	S	Bend	trans	-106.6	152.1	155.6	69.5	0	0	0	0	109.2	Y471 I475	Y471-S473 CarbonylContact C-O 3.6Å; Y471-S473 WeakPolarHBondContact CA-O 3.45Å; Y471-S473 CarbonylContact O-C 3.57Å; Y471-S473 VanDerWaalsContact O-C 3.32Å; Y471-S473 PolarHBondContact O-N 2.91Å; Y471-S473 VanDerWaalsContact O-N 3.07Å; S473-I475 PolarHBondContact O-N 2.84Å
474	I	48.9	Very low	70.5	Confident	92 Å²	92	46.2 Å²	46.2	47%	0.472	24%	0.237	S	C	.	.	S	Bend	trans	-64.5	17.3	-176.9	-45.4	163.7	0	0	0	112.6	P476 T498 V500	I474-P476 WeakPolarHBondContact O-CD 3.36Å; I474-T498 WeakPolarHBondContact CB-O 3.34Å; I474-T498 HydrophobicContact CG2-CG2 4.29Å; I474-T498 WeakPolarHBondContact CG2-O 3.17Å; I474-V500 HydrophobicContact CD1-CG2 4.1Å
475	I	51.4	Low	70.5	Confident	69 Å²	69	49 Å²	49	35%	0.354	25%	0.254	S	S	.	.			trans	-86.4	105.7	171.9	-55.2	174.9	0	0	0	107.3	S473 M477 T497	S473-I475 PolarHBondContact O-N 2.84Å; I475-M477 HydrophobicContact CG2-SD 4.4Å; I475-M477 PolarHBondContact O-N 2.82Å; I475-T497 HydrophobicContact CG1-CG2 4.28Å
476	P	56.7	Low	70.8	Confident	16 Å²	16	56 Å²	56	10%	0.104	28%	0.283	C	S	.	.			trans	-67	108.5	177.6	27.7	-33.2	0	0	0	109.6	I474 K495 V496	I474-P476 WeakPolarHBondContact O-CD 3.36Å; P476-K495 HydrophobicContact CB-CB 4Å; P476-K495 HydrophobicContact CG-CB 3.45Å; P476-K495 VanDerWaalsContact CG-CB 3.45Å; P476-V496 WeakPolarHBondContact CD-O 3.12Å; P476-V496 VanDerWaalsContact CG-O 3.28Å; P476-V496 WeakPolarHBondContact CG-O 3.19Å
477	M	64	Low	71.3	Confident	90 Å²	90	57.6 Å²	57.6	44%	0.443	30%	0.295	S	S	.	.	B	Isolated β-bridge	trans	-86.8	136.4	172.7	-60.4	-75.8	-72.4	0	0	109.7	R468 G469 I475	R468-M477 CarbonylContact C-O 3.53Å; R468-M477 VanDerWaalsContact CA-O 3.28Å; R468-M477 WeakPolarHBondContact CA-O 3.33Å; G469-M477 PolarHBondContact N-O 2.87Å; G469-M477 VanDerWaalsContact O-CB 3.3Å; G469-M477 WeakPolarHBondContact O-CB 3.33Å; I475-M477 HydrophobicContact CG2-SD 4.4Å; I475-M477 PolarHBondContact O-N 2.82Å
478	G	76.2	Confident	72.3	Confident	19 Å²	19	57.6 Å²	57.6	20%	0.196	31%	0.305	C	S	.	.	S	Bend	trans	125.6	163	172.3	0	0	0	0	0	114.4	F467	F467-G478 CarbonylContact O-C 3.48Å; F467-G478 WeakPolarHBondContact O-CA 3.37Å
479	Y	87.6	Confident	74.1	Confident	48 Å²	48	55.3 Å²	55.3	19%	0.188	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	145.6	-173.9	-71.2	-83.5	0	0	0	111.5	F467 H481 V492 W493 R494 T684	F467-Y479 PolarHBondContact N-O 3.24Å; F467-Y479 VanDerWaalsContact N-O 3.17Å; F467-Y479 PolarHBondContact O-N 3.21Å; Y479-H481 WeakPolarHBondContact CB-NE2 3.17Å; Y479-V492 HydrophobicContact CD1-CG1 3.47Å; Y479-V492 VanDerWaalsContact CD1-CG1 3.47Å; Y479-V492 HydrophobicContact CE1-CG1 4.07Å; Y479-V492 HydrophobicContact CG-CG1 4.15Å; Y479-W493 WeakPolarHBondContact CA-O 3.28Å; Y479-R494 HydrophobicContact CD1-CG 3.52Å; Y479-R494 HydrophobicContact CE1-CG 3.63Å; Y479-R494 HydrophobicContact CG-CG 4.19Å; Y479-R494 VanDerWaalsContact CZ-CZ 3.45Å; Y479-R494 PolarHBondContact OH-NE 3.38Å; Y479-R494 PolarHBondContact OH-NH2 2.95Å; Y479-T684 HydrophobicContact CD1-CG2 3.85Å; Y479-T684 HydrophobicContact CD2-CG2 3.8Å; Y479-T684 HydrophobicContact CE1-CG2 3.59Å; Y479-T684 VanDerWaalsContact CE2-CB 3.49Å; Y479-T684 HydrophobicContact CE2-CG2 3.56Å; Y479-T684 HydrophobicContact CG-CG2 3.91Å
480	S	92.8	Very high	76.4	Confident	8 Å²	8	56.9 Å²	56.9	6%	0.056	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	139.8	164.7	-59.9	0	0	0	0	108.8	S465 V492 W493	S465-S480 WeakPolarHBondContact O-CA 3.42Å; S480-V492 WeakPolarHBondContact O-CA 3.28Å; S480-W493 VanDerWaalsContact CB-CZ2 3.43Å; S480-W493 PolarHBondContact N-O 3.29Å; S480-W493 PolarHBondContact O-N 2.96Å; S480-W493 VanDerWaalsContact O-N 3.1Å
481	H	94.4	Very high	78.6	Confident	9 Å²	9	51.3 Å²	51.3	4%	0.042	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	124.8	-175.2	-60.9	-97.6	0	0	0	108.9	L464 S465 Y479 Y490 Y491 D681	L464-H481 CarbonylContact C-O 3.58Å; L464-H481 VanDerWaalsContact CA-O 3.32Å; L464-H481 WeakPolarHBondContact CA-O 3Å; L464-H481 WeakPolarHBondContact CD1-O 3.3Å; S465-H481 PolarHBondContact N-O 3.24Å; S465-H481 PolarHBondContact O-N 2.71Å; Y479-H481 WeakPolarHBondContact CB-NE2 3.17Å; H481-Y490 WeakPolarHBondContact CB-OH 3.35Å; H481-Y490 AromaticContact ND1-CE1 3.72Å; H481-Y490 AromaticContact ND1-CZ 3.55Å; H481-Y490 PolarHBondContact ND1-OH 3.31Å; H481-Y491 CarbonylContact C-O 3.53Å; H481-Y491 WeakPolarHBondContact CA-O 3.5Å; H481-D681 IonicContact CE1-OD2 3.92Å; H481-D681 PolarHBondContact CE1-OD2 3.19Å; H481-D681 IonicContact NE2-OD2 3.19Å
482	L	97.6	Very high	81.1	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	126.7	176.4	174.3	67.8	0	0	0	109.2	V386 V402 W462 K463 L464 F484 Y490 Y491 W493	V386-L482 HydrophobicContact CG1-CD1 3.79Å; V386-L482 HydrophobicContact CG1-CD2 3.96Å; V386-L482 HydrophobicContact CG1-CG 4.48Å; V402-L482 HydrophobicContact CG1-CD2 4.12Å; V402-L482 HydrophobicContact CG2-CD2 3.84Å; W462-L482 HydrophobicContact CB-CD1 3.98Å; W462-L482 HydrophobicContact CE3-CD1 4.41Å; W462-L482 HydrophobicContact CG-CD1 4.45Å; K463-L482 WeakPolarHBondContact O-CA 3.03Å; L464-L482 HydrophobicContact CB-CD1 4.44Å; L464-L482 HydrophobicContact CD1-CB 4.24Å; L464-L482 HydrophobicContact CD1-CD1 4.43Å; L482-F484 HydrophobicContact CD2-CE2 4.03Å; L482-F484 HydrophobicContact CD2-CZ 3.8Å; L482-F484 HydrophobicContact CG-CE2 4.36Å; L482-F484 HydrophobicContact CG-CZ 4.34Å; L482-Y490 CarbonylContact O-C 3.5Å; L482-Y490 WeakPolarHBondContact O-CA 3.42Å; L482-Y491 PolarHBondContact N-O 2.83Å; L482-Y491 PolarHBondContact O-N 2.92Å; L482-W493 HydrophobicContact CB-CH2 3.98Å; L482-W493 HydrophobicContact CB-CZ3 3.68Å
483	E	96.5	Very high	83.9	Confident	74 Å²	74	41.9 Å²	41.9	35%	0.346	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128	177.7	-175.9	-177.4	171.4	0	0	109.1	W462 K463 N489 Y490	W462-E483 CarbonylContact C-O 3.59Å; W462-E483 WeakPolarHBondContact CA-O 3.4Å; W462-E483 WeakPolarHBondContact CB-O 3.04Å; K463-E483 HydrophobicContact CB-CB 4.49Å; K463-E483 PolarHBondContact N-O 3.23Å; K463-E483 PolarHBondContact O-N 2.74Å; E483-N489 WeakPolarHBondContact CA-O 3.44Å; E483-Y490 HydrophobicContact CB-CD2 3.84Å; E483-Y490 HydrophobicContact CB-CE2 4.23Å; E483-Y490 HydrophobicContact CG-CD2 4.09Å
484	F	97.8	Very high	86.3	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.009	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	125.4	171	-68.1	-73.7	0	0	0	109.9	V386 A389 A390 Q398 V402 W462 L482 E486 S487 G488 N489 Y491	V386-F484 HydrophobicContact CG1-CE1 3.84Å; V386-F484 HydrophobicContact CG1-CZ 4.18Å; A389-F484 HydrophobicContact CB-CE1 3.88Å; A389-F484 HydrophobicContact CB-CZ 3.52Å; A390-F484 HydrophobicContact CB-CD1 3.53Å; A390-F484 HydrophobicContact CB-CE1 3.73Å; Q398-F484 VanDerWaalsContact CD-CE2 3.47Å; Q398-F484 HydrophobicContact CG-CD2 4.38Å; Q398-F484 HydrophobicContact CG-CE2 3.75Å; Q398-F484 HydrophobicContact CG-CZ 4.1Å; V402-F484 HydrophobicContact CG2-CE2 3.93Å; V402-F484 HydrophobicContact CG2-CZ 3.92Å; W462-F484 HydrophobicContact CB-CD1 4.08Å; W462-F484 HydrophobicContact CB-CE1 4.36Å; L482-F484 HydrophobicContact CD2-CE2 4.03Å; L482-F484 HydrophobicContact CD2-CZ 3.8Å; L482-F484 HydrophobicContact CG-CE2 4.36Å; L482-F484 HydrophobicContact CG-CZ 4.34Å; F484-E486 PolarHBondContact O-N 2.93Å; F484-S487 WeakPolarHBondContact CB-OG 3.43Å; F484-G488 VanDerWaalsContact O-CA 3.24Å; F484-G488 WeakPolarHBondContact O-CA 3.47Å; F484-G488 PolarHBondContact O-N 3.3Å; F484-N489 HydrophobicContact CD2-CB 4.23Å; F484-N489 PolarHBondContact N-O 3.47Å; F484-Y491 HydrophobicContact CD2-CD2 4.06Å; F484-Y491 AromaticContact CD2-CE2 3.71Å; F484-Y491 HydrophobicContact CD2-CE2 3.71Å; F484-Y491 AromaticContact CE2-CD2 3.79Å; F484-Y491 HydrophobicContact CE2-CD2 3.79Å; F484-Y491 AromaticContact CE2-CE2 3.48Å; F484-Y491 HydrophobicContact CE2-CE2 3.48Å; F484-Y491 VanDerWaalsContact CE2-CE2 3.48Å
485	T	95	Very high	88.3	Confident	58 Å²	58	40.6 Å²	40.6	36%	0.356	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-38.1	-166.8	51.8	0	0	0	0	113.3	E460 R461 K463	E460-T485 PolarHBondContact O-OG1 3.37Å; R461-T485 VanDerWaalsContact CA-OG1 3.26Å; R461-T485 WeakPolarHBondContact CA-OG1 3.24Å; R461-T485 PolarHBondContact O-N 2.95Å; R461-T485 PolarHBondContact O-OG1 3.49Å; R461-T485 VanDerWaalsContact O-OG1 3.08Å; K463-T485 HydrophobicContact CG-CG2 4.33Å
486	E	94.1	Very high	90	Very high	188 Å²	188	37.5 Å²	37.5	88%	0.879	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-48.1	-178.2	-174.6	177.9	176.1	0	0	112.6	F484	F484-E486 PolarHBondContact O-N 2.93Å
487	S	94.8	Very high	91.2	Very high	44 Å²	44	38.4 Å²	38.4	31%	0.308	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.4	-22.7	-176.2	65.6	0	0	0	0	113.8	F484 N489 K522	F484-S487 WeakPolarHBondContact CB-OG 3.43Å; S487-N489 PolarHBondContact O-N 3.43Å; S487-N489 WeakPolarHBondContact OG-CB 3.33Å; S487-N489 VanDerWaalsContact OG-CG 3.27Å; S487-N489 PolarHBondContact OG-N 3.48Å; S487-N489 PolarHBondContact OG-ND2 3.29Å; S487-K522 PolarHBondContact O-NZ 3.24Å
488	G	94.4	Very high	92.1	Very high	35 Å²	35	35.3 Å²	35.3	36%	0.361	19%	0.186	S	C	.	.			trans	67.6	14.2	-169.8	0	0	0	0	0	113.8	F484	F484-G488 VanDerWaalsContact O-CA 3.24Å; F484-G488 WeakPolarHBondContact O-CA 3.47Å; F484-G488 PolarHBondContact O-N 3.3Å
489	N	96.7	Very high	92.2	Very high	11 Å²	11	36.4 Å²	36.4	6%	0.059	19%	0.189	C	C	.	.			trans	-67	135.7	176.8	-65.9	-9.1	0	0	0	109.7	Q398 E483 F484 S487 Y491 H523	Q398-N489 PolarHBondContact OE1-ND2 2.95Å; E483-N489 WeakPolarHBondContact CA-O 3.44Å; F484-N489 HydrophobicContact CD2-CB 4.23Å; F484-N489 PolarHBondContact N-O 3.47Å; S487-N489 PolarHBondContact O-N 3.43Å; S487-N489 WeakPolarHBondContact OG-CB 3.33Å; S487-N489 VanDerWaalsContact OG-CG 3.27Å; S487-N489 PolarHBondContact OG-N 3.48Å; S487-N489 PolarHBondContact OG-ND2 3.29Å; N489-Y491 HydrophobicContact CB-CE2 3.83Å; N489-H523 PolarHBondContact OD1-CE1 2.9Å; N489-H523 VanDerWaalsContact OD1-CE1 3.32Å
490	Y	96.1	Very high	91.6	Very high	41 Å²	41	36.1 Å²	36.1	16%	0.161	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	120.8	-168.2	-168.7	-90.5	0	0	0	111.3	H481 L482 E483 V492 E520 K521 W683	H481-Y490 WeakPolarHBondContact CB-OH 3.35Å; H481-Y490 AromaticContact ND1-CE1 3.72Å; H481-Y490 AromaticContact ND1-CZ 3.55Å; H481-Y490 PolarHBondContact ND1-OH 3.31Å; L482-Y490 CarbonylContact O-C 3.5Å; L482-Y490 WeakPolarHBondContact O-CA 3.42Å; E483-Y490 HydrophobicContact CB-CD2 3.84Å; E483-Y490 HydrophobicContact CB-CE2 4.23Å; E483-Y490 HydrophobicContact CG-CD2 4.09Å; Y490-V492 HydrophobicContact CD1-CG2 3.79Å; Y490-V492 HydrophobicContact CE1-CG2 3.36Å; Y490-E520 CarbonylContact O-C 3.39Å; Y490-E520 WeakPolarHBondContact O-CA 3.44Å; Y490-K521 HydrophobicContact CD1-CB 4.39Å; Y490-K521 HydrophobicContact CD1-CG 3.85Å; Y490-K521 PolarHBondContact O-N 3.23Å; Y490-W683 AromaticContact CD1-CD1 3.91Å; Y490-W683 AromaticContact CD1-NE1 3.62Å; Y490-W683 AromaticContact CE1-CD1 3.26Å; Y490-W683 HydrophobicContact CE1-CG 4.07Å; Y490-W683 AromaticContact CE1-NE1 3.36Å; Y490-W683 AromaticContact CZ-CD1 3.79Å; Y490-W683 AromaticContact CZ-NE1 3.81Å
491	Y	97.6	Very high	90.7	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	137.7	-173.1	-65.8	-102.9	0	0	0	111	Q398 M399 V402 H481 L482 F484 N489 I518 E519 E520	Q398-Y491 HydrophobicContact CG-CE2 4.35Å; Q398-Y491 WeakPolarHBondContact CG-OH 3.49Å; Q398-Y491 PolarHBondContact OE1-OH 3.13Å; M399-Y491 HydrophobicContact CB-CE1 4.24Å; M399-Y491 HydrophobicContact CE-CD1 3.72Å; M399-Y491 HydrophobicContact CE-CE1 3.5Å; M399-Y491 HydrophobicContact SD-CD1 3.89Å; M399-Y491 HydrophobicContact SD-CE1 3.71Å; V402-Y491 HydrophobicContact CB-CD1 4.31Å; V402-Y491 HydrophobicContact CB-CE1 4.45Å; V402-Y491 HydrophobicContact CG1-CD1 4Å; V402-Y491 HydrophobicContact CG1-CG 4.25Å; V402-Y491 HydrophobicContact CG2-CD1 4.13Å; V402-Y491 HydrophobicContact CG2-CD2 4.43Å; V402-Y491 HydrophobicContact CG2-CE1 4.09Å; V402-Y491 HydrophobicContact CG2-CE2 4.42Å; V402-Y491 HydrophobicContact CG2-CG 4.3Å; H481-Y491 CarbonylContact C-O 3.53Å; H481-Y491 WeakPolarHBondContact CA-O 3.5Å; L482-Y491 PolarHBondContact N-O 2.83Å; L482-Y491 PolarHBondContact O-N 2.92Å; F484-Y491 HydrophobicContact CD2-CD2 4.06Å; F484-Y491 AromaticContact CD2-CE2 3.71Å; F484-Y491 HydrophobicContact CD2-CE2 3.71Å; F484-Y491 AromaticContact CE2-CD2 3.79Å; F484-Y491 HydrophobicContact CE2-CD2 3.79Å; F484-Y491 AromaticContact CE2-CE2 3.48Å; F484-Y491 HydrophobicContact CE2-CE2 3.48Å; F484-Y491 VanDerWaalsContact CE2-CE2 3.48Å; N489-Y491 HydrophobicContact CB-CE2 3.83Å; Y491-I518 HydrophobicContact CD1-CG2 4.09Å; Y491-E519 CarbonylContact C-O 3.52Å; Y491-E519 VanDerWaalsContact CA-O 3.31Å; Y491-E519 WeakPolarHBondContact CA-O 3.25Å; Y491-E520 HydrophobicContact CD1-CB 3.88Å; Y491-E520 HydrophobicContact CD1-CG 4.06Å; Y491-E520 HydrophobicContact CD2-CG 4.24Å; Y491-E520 HydrophobicContact CE1-CB 3.6Å; Y491-E520 HydrophobicContact CE1-CG 3.56Å; Y491-E520 HydrophobicContact CE2-CG 3.73Å; Y491-E520 HydrophobicContact CG-CB 4.5Å; Y491-E520 HydrophobicContact CG-CG 4.37Å
492	V	95.4	Very high	89.5	Confident	4 Å²	4	40.8 Å²	40.8	2%	0.024	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	133	178.7	-175.3	0	0	0	0	110.6	Y479 S480 Y490 E519 K521 T684	Y479-V492 HydrophobicContact CD1-CG1 3.47Å; Y479-V492 VanDerWaalsContact CD1-CG1 3.47Å; Y479-V492 HydrophobicContact CE1-CG1 4.07Å; Y479-V492 HydrophobicContact CG-CG1 4.15Å; S480-V492 WeakPolarHBondContact O-CA 3.28Å; Y490-V492 HydrophobicContact CD1-CG2 3.79Å; Y490-V492 HydrophobicContact CE1-CG2 3.36Å; V492-E519 PolarHBondContact N-O 2.83Å; V492-E519 PolarHBondContact O-N 2.87Å; V492-K521 HydrophobicContact CG2-CG 4.35Å; V492-T684 HydrophobicContact CG1-CG2 4.02Å
493	W	94.7	Very high	87.9	Confident	6 Å²	6	44.7 Å²	44.7	2%	0.023	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	169.1	174.7	71.6	100.9	0	0	0	112.6	F405 T406 L464 Y479 S480 L482 M516 I518	F405-W493 HydrophobicContact CD1-CH2 4.5Å; F405-W493 HydrophobicContact CD1-CZ2 4.45Å; F405-W493 HydrophobicContact CE1-CH2 4.29Å; F405-W493 HydrophobicContact CE1-CZ2 4.23Å; T406-W493 HydrophobicContact CG2-CD2 3.81Å; T406-W493 VanDerWaalsContact CG2-CE2 3.47Å; T406-W493 HydrophobicContact CG2-CG 4.02Å; T406-W493 HydrophobicContact CG2-CZ2 3.91Å; L464-W493 HydrophobicContact CD1-CH2 3.74Å; L464-W493 HydrophobicContact CD1-CZ2 4.37Å; Y479-W493 WeakPolarHBondContact CA-O 3.28Å; S480-W493 VanDerWaalsContact CB-CZ2 3.43Å; S480-W493 PolarHBondContact N-O 3.29Å; S480-W493 PolarHBondContact O-N 2.96Å; S480-W493 VanDerWaalsContact O-N 3.1Å; L482-W493 HydrophobicContact CB-CH2 3.98Å; L482-W493 HydrophobicContact CB-CZ3 3.68Å; W493-M516 HydrophobicContact CB-CG 4.41Å; W493-M516 HydrophobicContact CB-SD 4.46Å; W493-M516 HydrophobicContact CG-SD 4.31Å; W493-I518 HydrophobicContact CB-CB 4.28Å; W493-I518 HydrophobicContact CB-CG1 3.88Å; W493-I518 HydrophobicContact CB-CG2 4.36Å; W493-I518 HydrophobicContact CE3-CG2 4.48Å; W493-I518 HydrophobicContact CG-CG1 4.41Å
494	R	90.4	Very high	86	Confident	103 Å²	103	45.3 Å²	45.3	39%	0.389	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	150.9	171.1	-65	-174.7	175.1	-171.6	2.8	109.8	Y479 M516	Y479-R494 HydrophobicContact CD1-CG 3.52Å; Y479-R494 HydrophobicContact CE1-CG 3.63Å; Y479-R494 HydrophobicContact CG-CG 4.19Å; Y479-R494 VanDerWaalsContact CZ-CZ 3.45Å; Y479-R494 PolarHBondContact OH-NE 3.38Å; Y479-R494 PolarHBondContact OH-NH2 2.95Å; R494-M516 WeakPolarHBondContact O-CE 3.07Å; R494-M516 WeakPolarHBondContact O-CG 3.36Å
495	K	89.9	Confident	84.2	Confident	27 Å²	27	49.8 Å²	49.8	12%	0.117	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-73.4	149.2	175.5	-80.4	-165.8	172.2	-165.9	0	111	D379 Y410 P476	D379-K495 IonicContact OD1-NZ 3.26Å; D379-K495 PolarHBondContact OD1-NZ 3.14Å; D379-K495 WeakPolarHBondContact OD2-CE 3.22Å; D379-K495 IonicContact OD2-NZ 4Å; D379-K495 PolarHBondContact OD2-NZ 3.27Å; Y410-K495 VanDerWaalsContact OH-CA 3.28Å; Y410-K495 WeakPolarHBondContact OH-CA 3.31Å; Y410-K495 WeakPolarHBondContact OH-CB 3.31Å; Y410-K495 WeakPolarHBondContact OH-CG 3.44Å; P476-K495 HydrophobicContact CB-CB 4Å; P476-K495 HydrophobicContact CG-CB 3.45Å; P476-K495 VanDerWaalsContact CG-CB 3.45Å
496	V	87	Confident	82.8	Confident	5 Å²	5	49.7 Å²	49.7	3%	0.03	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-76.1	172	170.9	-60.2	0	0	0	0	112.1	Y410 P476 N512 M516 Y531	Y410-V496 HydrophobicContact CE1-CG2 3.93Å; Y410-V496 HydrophobicContact CE2-CG2 4.21Å; Y410-V496 WeakPolarHBondContact OH-CG2 3.4Å; Y410-V496 PolarHBondContact OH-N 3.36Å; P476-V496 WeakPolarHBondContact CD-O 3.12Å; P476-V496 VanDerWaalsContact CG-O 3.28Å; P476-V496 WeakPolarHBondContact CG-O 3.19Å; V496-N512 HydrophobicContact CG2-CB 4.37Å; V496-M516 HydrophobicContact CG1-CB 3.76Å; V496-M516 HydrophobicContact CG1-CE 4.06Å; V496-Y531 HydrophobicContact CB-CD2 4.36Å; V496-Y531 HydrophobicContact CG1-CD2 3.49Å; V496-Y531 VanDerWaalsContact CG1-CD2 3.49Å; V496-Y531 HydrophobicContact CG1-CE2 3.72Å; V496-Y531 HydrophobicContact CG1-CG 4.1Å; V496-Y531 HydrophobicContact CG2-CD1 3.96Å; V496-Y531 HydrophobicContact CG2-CD2 4.1Å; V496-Y531 HydrophobicContact CG2-CE1 4.14Å; V496-Y531 HydrophobicContact CG2-CE2 4.28Å; V496-Y531 HydrophobicContact CG2-CG 3.94Å
497	T	82.1	Confident	81.9	Confident	35 Å²	35	48.8 Å²	48.8	22%	0.215	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	134.5	178.7	-56.6	0	0	0	0	110.8	I475 V499 N512 Y513	I475-T497 HydrophobicContact CG1-CG2 4.28Å; T497-V499 HydrophobicContact CG2-CG2 4.06Å; T497-N512 WeakPolarHBondContact O-CA 3.38Å; T497-Y513 HydrophobicContact CG2-CE1 4.16Å; T497-Y513 PolarHBondContact N-O 3.05Å; T497-Y513 PolarHBondContact O-N 2.98Å
498	T	83.6	Confident	81	Confident	24 Å²	24	49 Å²	49	15%	0.147	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	133.9	171.6	-59.3	0	0	0	0	108.6	I474 I510 D511 N512	I474-T498 WeakPolarHBondContact CB-O 3.34Å; I474-T498 HydrophobicContact CG2-CG2 4.29Å; I474-T498 WeakPolarHBondContact CG2-O 3.17Å; T498-I510 HydrophobicContact CG2-CG2 3.38Å; T498-D511 CarbonylContact C-O 3.58Å; T498-D511 WeakPolarHBondContact CA-O 3.5Å; T498-N512 WeakPolarHBondContact CB-OD1 3.22Å; T498-N512 WeakPolarHBondContact CG2-OD1 3.46Å; T498-N512 PolarHBondContact OG1-OD1 2.85Å
499	V	77.1	Confident	80.4	Confident	43 Å²	43	50.2 Å²	50.2	26%	0.261	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	135.7	179.2	171.8	0	0	0	0	110.7	T497 I510 D511 Y513	T497-V499 HydrophobicContact CG2-CG2 4.06Å; V499-I510 WeakPolarHBondContact O-CA 3.34Å; V499-D511 PolarHBondContact N-O 2.82Å; V499-D511 PolarHBondContact O-N 2.87Å; V499-Y513 HydrophobicContact CB-CE1 4.26Å; V499-Y513 HydrophobicContact CG2-CD1 4.42Å; V499-Y513 HydrophobicContact CG2-CE1 3.52Å
500	V	76.8	Confident	79.9	Confident	41 Å²	41	50.7 Å²	50.7	25%	0.248	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	119.1	173.6	-175.7	0	0	0	0	108.6	I474 I503 L508 I510	I474-V500 HydrophobicContact CD1-CG2 4.1Å; V500-I503 HydrophobicContact CB-CD1 4.43Å; V500-I503 HydrophobicContact CB-CG1 4.41Å; V500-I503 HydrophobicContact CG1-CG1 4.06Å; V500-L508 HydrophobicContact CG1-CD2 4.23Å; V500-I510 HydrophobicContact CG2-CG1 4.24Å
501	H	73.8	Confident	79.5	Confident	55 Å²	55	48.9 Å²	48.9	26%	0.255	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	162.1	176.8	-70	-98.9	0	0	0	111.4	I503 L508 W509	H501-I503 VanDerWaalsContact C-N 3.29Å; H501-I503 PolarHBondContact O-N 2.83Å; H501-L508 WeakPolarHBondContact O-CD2 3.34Å; H501-W509 HydrophobicContact CB-CD2 3.76Å; H501-W509 HydrophobicContact CB-CG 4.05Å; H501-W509 HydrophobicContact CB-CH2 4.34Å; H501-W509 HydrophobicContact CB-CZ2 3.59Å; H501-W509 AromaticContact CD2-CE2 3.85Å; H501-W509 AromaticContact CD2-CE3 3.92Å; H501-W509 AromaticContact CD2-CH2 3.37Å; H501-W509 WeakPolarHBondContact CD2-CH2 3.21Å; H501-W509 AromaticContact CD2-CZ2 3.53Å; H501-W509 AromaticContact CD2-CZ3 3.61Å; H501-W509 AromaticContact CE1-CH2 3.68Å; H501-W509 AromaticContact CE1-CZ2 3.79Å; H501-W509 AromaticContact CG-CE2 3.44Å; H501-W509 VanDerWaalsContact CG-CE2 3.44Å; H501-W509 AromaticContact CG-CH2 3.6Å; H501-W509 AromaticContact CG-CZ2 3.22Å; H501-W509 AromaticContact CG-NE1 3.95Å; H501-W509 PolarHBondContact N-O 2.51Å; H501-W509 AromaticContact ND1-CH2 3.78Å; H501-W509 AromaticContact ND1-CZ2 3.4Å; H501-W509 WeakPolarHBondContact ND1-CZ2 3.41Å; H501-W509 AromaticContact NE2-CH2 3.45Å; H501-W509 WeakPolarHBondContact NE2-CH2 3.41Å; H501-W509 AromaticContact NE2-CZ2 3.9Å; H501-W509 AromaticContact NE2-CZ3 3.92Å
502	N	69.4	Low	79.1	Confident	60 Å²	60	48.9 Å²	48.9	32%	0.321	26%	0.258	S	S	.	.			trans	62	27.9	173.5	-63.8	-7.9	0	0	0	115.1	I504 V505 K507 L508 W509	N502-I504 PolarHBondContact O-N 3.13Å; N502-I504 VanDerWaalsContact O-N 3.13Å; N502-V505 VanDerWaalsContact CB-O 3.22Å; N502-V505 WeakPolarHBondContact CB-O 3.34Å; N502-K507 VanDerWaalsContact CB-O 3.3Å; N502-K507 WeakPolarHBondContact CB-O 3.49Å; N502-K507 PolarHBondContact ND2-O 2.81Å; N502-L508 WeakPolarHBondContact O-CD2 3.44Å; N502-W509 PolarHBondContact ND2-NE1 3.34Å
503	I	63	Low	78.7	Confident	83 Å²	83	52.9 Å²	52.9	43%	0.426	27%	0.273	S	S	.	.	S	Bend	trans	-52.4	-37.6	179.2	-59.5	176.9	0	0	0	112	L345 M349 V500 H501	L345-I503 HydrophobicContact CD2-CG2 4.46Å; M349-I503 HydrophobicContact CE-CG2 4.08Å; M349-I503 WeakPolarHBondContact CE-O 3.41Å; M349-I503 HydrophobicContact SD-CG2 4.05Å; V500-I503 HydrophobicContact CB-CD1 4.43Å; V500-I503 HydrophobicContact CB-CG1 4.41Å; V500-I503 HydrophobicContact CG1-CG1 4.06Å; H501-I503 VanDerWaalsContact C-N 3.29Å; H501-I503 PolarHBondContact O-N 2.83Å
504	I	57.3	Low	78.3	Confident	87 Å²	87	53.8 Å²	53.8	45%	0.446	28%	0.284	S	S	.	.	S	Bend	trans	-93.3	-49.4	-177.7	-54.5	179.1	0	0	0	111.8	W346 N502	W346-I504 HydrophobicContact CE3-CG2 3.82Å; W346-I504 HydrophobicContact CH2-CG2 4.41Å; W346-I504 HydrophobicContact CZ3-CG2 3.67Å; N502-I504 PolarHBondContact O-N 3.13Å; N502-I504 VanDerWaalsContact O-N 3.13Å
505	V	58.8	Low	78.4	Confident	95 Å²	95	54.6 Å²	54.6	58%	0.576	29%	0.292	S	S	*	.	S	Bend	trans	-135.6	129.5	-173.5	-176	0	0	0	0	110.6	N502	N502-V505 VanDerWaalsContact CB-O 3.22Å; N502-V505 WeakPolarHBondContact CB-O 3.34Å
506	G	65.9	Low	78.6	Confident	57 Å²	57	53.5 Å²	53.5	59%	0.588	29%	0.287	S	S	*	.	S	Bend	trans	102.9	-177.9	175.8	0	0	0	0	0	113.6	L508	G506-L508 PolarHBondContact O-N 3.24Å
507	K	74.7	Confident	79	Confident	168 Å²	168	55.6 Å²	55.6	73%	0.73	30%	0.3	S	S	*	.			trans	-73.4	126.6	174.9	-173.1	175.8	-177.7	173	0	109.3	N502	N502-K507 VanDerWaalsContact CB-O 3.3Å; N502-K507 WeakPolarHBondContact CB-O 3.49Å; N502-K507 PolarHBondContact ND2-O 2.81Å
508	L	77.5	Confident	79.8	Confident	50 Å²	50	53.9 Å²	53.9	26%	0.262	29%	0.29	S	S	.	.			trans	-57.2	137.8	172.6	-61.9	178	0	0	0	110.2	T417 V500 H501 N502 G506	T417-L508 HydrophobicContact CG2-CB 4.08Å; V500-L508 HydrophobicContact CG1-CD2 4.23Å; H501-L508 WeakPolarHBondContact O-CD2 3.34Å; N502-L508 WeakPolarHBondContact O-CD2 3.44Å; G506-L508 PolarHBondContact O-N 3.24Å
509	W	81.1	Confident	80.4	Confident	59 Å²	59	55.3 Å²	55.3	22%	0.223	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	158.9	171.5	64.4	-84.8	0	0	0	110.1	H501 N502 D511 Y534	H501-W509 HydrophobicContact CB-CD2 3.76Å; H501-W509 HydrophobicContact CB-CG 4.05Å; H501-W509 HydrophobicContact CB-CH2 4.34Å; H501-W509 HydrophobicContact CB-CZ2 3.59Å; H501-W509 AromaticContact CD2-CE2 3.85Å; H501-W509 AromaticContact CD2-CE3 3.92Å; H501-W509 AromaticContact CD2-CH2 3.37Å; H501-W509 WeakPolarHBondContact CD2-CH2 3.21Å; H501-W509 AromaticContact CD2-CZ2 3.53Å; H501-W509 AromaticContact CD2-CZ3 3.61Å; H501-W509 AromaticContact CE1-CH2 3.68Å; H501-W509 AromaticContact CE1-CZ2 3.79Å; H501-W509 AromaticContact CG-CE2 3.44Å; H501-W509 VanDerWaalsContact CG-CE2 3.44Å; H501-W509 AromaticContact CG-CH2 3.6Å; H501-W509 AromaticContact CG-CZ2 3.22Å; H501-W509 AromaticContact CG-NE1 3.95Å; H501-W509 PolarHBondContact N-O 2.51Å; H501-W509 AromaticContact ND1-CH2 3.78Å; H501-W509 AromaticContact ND1-CZ2 3.4Å; H501-W509 WeakPolarHBondContact ND1-CZ2 3.41Å; H501-W509 AromaticContact NE2-CH2 3.45Å; H501-W509 WeakPolarHBondContact NE2-CH2 3.41Å; H501-W509 AromaticContact NE2-CZ2 3.9Å; H501-W509 AromaticContact NE2-CZ3 3.92Å; N502-W509 PolarHBondContact ND2-NE1 3.34Å; W509-D511 HydrophobicContact CE3-CB 4.46Å; W509-D511 HydrophobicContact CH2-CB 4.28Å; W509-D511 HydrophobicContact CZ3-CB 3.66Å; W509-Y534 AromaticContact CH2-CD1 3.44Å; W509-Y534 HydrophobicContact CH2-CD1 3.44Å; W509-Y534 VanDerWaalsContact CH2-CD1 3.44Å; W509-Y534 HydrophobicContact CH2-CD2 4.38Å; W509-Y534 HydrophobicContact CH2-CE1 4.12Å; W509-Y534 AromaticContact CH2-CG 3.58Å; W509-Y534 HydrophobicContact CH2-CG 3.58Å; W509-Y534 AromaticContact CZ2-CD1 3.95Å; W509-Y534 HydrophobicContact CZ2-CD1 3.95Å; W509-Y534 HydrophobicContact CZ2-CE1 4.23Å; W509-Y534 HydrophobicContact CZ2-CG 4.47Å; W509-Y534 HydrophobicContact CZ3-CD1 4.35Å; W509-Y534 HydrophobicContact CZ3-CG 4.07Å
510	I	85.2	Confident	81.4	Confident	21 Å²	21	53.4 Å²	53.4	11%	0.108	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	137.6	-175.5	-67.4	175.5	0	0	0	110.2	R416 T417 T498 V499 V500	R416-I510 WeakPolarHBondContact O-CD1 3.27Å; T417-I510 HydrophobicContact CG2-CD1 4.44Å; T417-I510 HydrophobicContact CG2-CG1 4.28Å; T498-I510 HydrophobicContact CG2-CG2 3.38Å; V499-I510 WeakPolarHBondContact O-CA 3.34Å; V500-I510 HydrophobicContact CG2-CG1 4.24Å
511	D	87.6	Confident	82.2	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.021	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	146.6	165.1	-160.1	22.5	0	0	0	111.1	T498 V499 W509 Y534	T498-D511 CarbonylContact C-O 3.58Å; T498-D511 WeakPolarHBondContact CA-O 3.5Å; V499-D511 PolarHBondContact N-O 2.82Å; V499-D511 PolarHBondContact O-N 2.87Å; W509-D511 HydrophobicContact CE3-CB 4.46Å; W509-D511 HydrophobicContact CH2-CB 4.28Å; W509-D511 HydrophobicContact CZ3-CB 3.66Å; D511-Y534 WeakPolarHBondContact OD2-CB 3.3Å; D511-Y534 PolarHBondContact OD2-N 2.76Å
512	N	89.8	Confident	83.1	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.4	172.7	-61.1	-73.5	0	0	0	108.3	Y410 T413 V496 T497 T498 Y531 W564	Y410-N512 HydrophobicContact CD1-CB 4.17Å; Y410-N512 VanDerWaalsContact CD1-OD1 3.3Å; Y410-N512 WeakPolarHBondContact CD1-OD1 3.35Å; T413-N512 PolarHBondContact OG1-ND2 2.81Å; V496-N512 HydrophobicContact CG2-CB 4.37Å; T497-N512 WeakPolarHBondContact O-CA 3.38Å; T498-N512 WeakPolarHBondContact CB-OD1 3.22Å; T498-N512 WeakPolarHBondContact CG2-OD1 3.46Å; T498-N512 PolarHBondContact OG1-OD1 2.85Å; N512-Y531 HydrophobicContact CB-CD1 4.38Å; N512-W564 HydrophobicContact CB-CZ2 4.39Å; N512-W564 WeakPolarHBondContact ND2-CZ2 3.29Å
513	Y	86.5	Confident	84.3	Confident	88 Å²	88	58.3 Å²	58.3	35%	0.345	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	162.4	-175.1	77	-93.9	0	0	0	113.2	T497 V499 Y531 P533	T497-Y513 HydrophobicContact CG2-CE1 4.16Å; T497-Y513 PolarHBondContact N-O 3.05Å; T497-Y513 PolarHBondContact O-N 2.98Å; V499-Y513 HydrophobicContact CB-CE1 4.26Å; V499-Y513 HydrophobicContact CG2-CD1 4.42Å; V499-Y513 HydrophobicContact CG2-CE1 3.52Å; Y513-Y531 WeakPolarHBondContact CA-O 3.48Å; Y513-P533 HydrophobicContact CD2-CB 4.44Å; Y513-P533 HydrophobicContact CG-CB 4.03Å
514	G	87.3	Confident	85.8	Confident	24 Å²	24	55.6 Å²	55.6	25%	0.247	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	115.8	-164.5	178.3	0	0	0	0	0	111.7	Y531	G514-Y531 PolarHBondContact N-O 2.81Å; G514-Y531 PolarHBondContact O-N 2.92Å
515	E	91.7	Very high	87.7	Confident	121 Å²	121	52 Å²	52	57%	0.565	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	139	-175.9	-63.4	-178.3	176	0	0	110	L529 K530	E515-L529 CarbonylContact C-O 3.4Å; E515-L529 WeakPolarHBondContact CA-O 3.47Å; E515-K530 HydrophobicContact CG-CG 4.42Å
516	M	94.9	Very high	89.6	Confident	3 Å²	3	51.1 Å²	51.1	2%	0.015	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	129.8	173	171.8	-179.7	-48.8	0	0	108.3	T406 Y410 W493 R494 V496 I518 L529 Y531	T406-M516 HydrophobicContact CG2-SD 4.13Å; T406-M516 PolarHBondContact OG1-SD 2.85Å; Y410-M516 HydrophobicContact CE2-CE 4.05Å; W493-M516 HydrophobicContact CB-CG 4.41Å; W493-M516 HydrophobicContact CB-SD 4.46Å; W493-M516 HydrophobicContact CG-SD 4.31Å; R494-M516 WeakPolarHBondContact O-CE 3.07Å; R494-M516 WeakPolarHBondContact O-CG 3.36Å; V496-M516 HydrophobicContact CG1-CB 3.76Å; V496-M516 HydrophobicContact CG1-CE 4.06Å; M516-I518 HydrophobicContact CG-CG1 4.21Å; M516-I518 HydrophobicContact SD-CD1 4.49Å; M516-I518 HydrophobicContact SD-CG1 4.23Å; M516-L529 HydrophobicContact CB-CB 4.2Å; M516-L529 PolarHBondContact N-O 2.97Å; M516-L529 PolarHBondContact O-N 3.41Å; M516-L529 HydrophobicContact SD-CD1 4.11Å; M516-Y531 HydrophobicContact CB-CE2 4.24Å; M516-Y531 HydrophobicContact CE-CE2 4.18Å
517	T	96	Very high	91.1	Very high	49 Å²	49	48.4 Å²	48.4	30%	0.301	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	123.5	170.8	-59.1	0	0	0	0	108.7	E519 K526 C527 H528	T517-E519 HydrophobicContact CG2-CG 3.83Å; T517-K526 HydrophobicContact CG2-CD 4.46Å; T517-C527 CarbonylContact C-O 3.48Å; T517-C527 WeakPolarHBondContact CA-O 3.35Å; T517-H528 VanDerWaalsContact CG2-CE1 3.42Å; T517-H528 WeakPolarHBondContact CG2-CE1 3.42Å; T517-H528 PolarHBondContact OG1-CE1 3.29Å; T517-H528 PolarHBondContact OG1-ND1 2.86Å
518	I	97.9	Very high	92.2	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	122	172.7	-50.2	170.2	0	0	0	106.8	M399 V402 A403 T406 Y491 W493 M516 K526 C527 L529	M399-I518 HydrophobicContact CE-CG2 4.19Å; M399-I518 HydrophobicContact SD-CB 3.92Å; M399-I518 HydrophobicContact SD-CG2 3.62Å; V402-I518 HydrophobicContact CG1-CG2 3.97Å; A403-I518 VanDerWaalsContact CA-CD1 3.44Å; A403-I518 HydrophobicContact CB-CD1 3.74Å; T406-I518 HydrophobicContact CG2-CD1 3.67Å; T406-I518 HydrophobicContact CG2-CG1 4.29Å; Y491-I518 HydrophobicContact CD1-CG2 4.09Å; W493-I518 HydrophobicContact CB-CB 4.28Å; W493-I518 HydrophobicContact CB-CG1 3.88Å; W493-I518 HydrophobicContact CB-CG2 4.36Å; W493-I518 HydrophobicContact CE3-CG2 4.48Å; W493-I518 HydrophobicContact CG-CG1 4.41Å; M516-I518 HydrophobicContact CG-CG1 4.21Å; M516-I518 HydrophobicContact SD-CD1 4.49Å; M516-I518 HydrophobicContact SD-CG1 4.23Å; I518-K526 CarbonylContact O-C 3.47Å; I518-K526 VanDerWaalsContact O-CA 3.3Å; I518-K526 WeakPolarHBondContact O-CA 3.24Å; I518-C527 HydrophobicContact CB-CB 4.2Å; I518-C527 HydrophobicContact CD1-CB 4.39Å; I518-C527 PolarHBondContact N-O 2.88Å; I518-C527 PolarHBondContact O-N 3.35Å; I518-L529 HydrophobicContact CD1-CD1 3.97Å
519	E	96.8	Very high	93.2	Very high	54 Å²	54	41.8 Å²	41.8	25%	0.252	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	120.4	-178	-57.8	-168.2	154.4	0	0	110.5	Y491 V492 T517 K521 K526	Y491-E519 CarbonylContact C-O 3.52Å; Y491-E519 VanDerWaalsContact CA-O 3.31Å; Y491-E519 WeakPolarHBondContact CA-O 3.25Å; V492-E519 PolarHBondContact N-O 2.83Å; V492-E519 PolarHBondContact O-N 2.87Å; T517-E519 HydrophobicContact CG2-CG 3.83Å; E519-K521 IonicContact OE2-NZ 3.97Å; E519-K521 PolarHBondContact OE2-NZ 3.41Å; E519-K526 HydrophobicContact CG-CD 4.26Å; E519-K526 HydrophobicContact CG-CG 4.32Å; E519-K526 WeakPolarHBondContact OE1-CE 3.39Å; E519-K526 IonicContact OE1-NZ 2.8Å; E519-K526 PolarHBondContact OE1-NZ 2.86Å
520	E	96.8	Very high	93.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	125.1	165.8	-162.7	-71.9	124	0	0	108.5	V395 M399 Y490 Y491 K522 H523 G524 I525	V395-E520 HydrophobicContact CG1-CG 3.96Å; M399-E520 HydrophobicContact CE-CB 3.74Å; Y490-E520 CarbonylContact O-C 3.39Å; Y490-E520 WeakPolarHBondContact O-CA 3.44Å; Y491-E520 HydrophobicContact CD1-CB 3.88Å; Y491-E520 HydrophobicContact CD1-CG 4.06Å; Y491-E520 HydrophobicContact CD2-CG 4.24Å; Y491-E520 HydrophobicContact CE1-CB 3.6Å; Y491-E520 HydrophobicContact CE1-CG 3.56Å; Y491-E520 HydrophobicContact CE2-CG 3.73Å; Y491-E520 HydrophobicContact CG-CB 4.5Å; Y491-E520 HydrophobicContact CG-CG 4.37Å; E520-K522 WeakPolarHBondContact OE1-CB 3.23Å; E520-K522 PolarHBondContact OE1-N 2.8Å; E520-K522 PolarHBondContact OE2-N 2.93Å; E520-H523 IonicContact OE1-ND1 2.92Å; E520-H523 WeakPolarHBondContact OE2-CA 3.22Å; E520-H523 VanDerWaalsContact OE2-CB 3.28Å; E520-H523 WeakPolarHBondContact OE2-CB 3.32Å; E520-H523 IonicContact OE2-CG 3.63Å; E520-H523 PolarHBondContact OE2-N 2.8Å; E520-H523 IonicContact OE2-ND1 3.8Å; E520-H523 PolarHBondContact OE2-ND1 2.75Å; E520-H523 VanDerWaalsContact OE2-ND1 3.09Å; E520-G524 WeakPolarHBondContact O-CA 3.32Å; E520-G524 PolarHBondContact O-N 2.79Å; E520-I525 HydrophobicContact CB-CB 4.08Å; E520-I525 WeakPolarHBondContact CB-O 3.15Å; E520-I525 PolarHBondContact N-O 2.58Å
521	K	94.3	Very high	94.2	Very high	50 Å²	50	41.6 Å²	41.6	22%	0.217	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-27	-166.2	-63.3	-58.6	-175.3	177.1	0	114.5	Y490 V492 E519 W683	Y490-K521 HydrophobicContact CD1-CB 4.39Å; Y490-K521 HydrophobicContact CD1-CG 3.85Å; Y490-K521 PolarHBondContact O-N 3.23Å; V492-K521 HydrophobicContact CG2-CG 4.35Å; E519-K521 IonicContact OE2-NZ 3.97Å; E519-K521 PolarHBondContact OE2-NZ 3.41Å; K521-W683 HydrophobicContact CB-CD2 4.32Å; K521-W683 HydrophobicContact CB-CE3 4.06Å; K521-W683 HydrophobicContact CB-CH2 3.92Å; K521-W683 HydrophobicContact CB-CZ2 4.18Å; K521-W683 HydrophobicContact CB-CZ3 3.86Å; K521-W683 HydrophobicContact CD-CD2 4.37Å; K521-W683 HydrophobicContact CD-CE3 4.01Å; K521-W683 HydrophobicContact CD-CZ3 4.5Å; K521-W683 HydrophobicContact CG-CD2 3.98Å; K521-W683 HydrophobicContact CG-CE3 3.95Å; K521-W683 HydrophobicContact CG-CG 4.43Å; K521-W683 HydrophobicContact CG-CZ3 4.28Å
522	K	93.7	Very high	94.3	Very high	127 Å²	127	43 Å²	43	55%	0.552	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.7	-41.5	-171.9	-172.2	176.6	174.4	-172.5	0	112.8	S487 E520	S487-K522 PolarHBondContact O-NZ 3.24Å; E520-K522 WeakPolarHBondContact OE1-CB 3.23Å; E520-K522 PolarHBondContact OE1-N 2.8Å; E520-K522 PolarHBondContact OE2-N 2.93Å
523	H	94.4	Very high	94.1	Very high	82 Å²	82	46 Å²	46	38%	0.38	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.5	-10.2	-176.2	-48.5	90.7	0	0	0	112.6	N489 E520 I525	N489-H523 PolarHBondContact OD1-CE1 2.9Å; N489-H523 VanDerWaalsContact OD1-CE1 3.32Å; E520-H523 IonicContact OE1-ND1 2.92Å; E520-H523 WeakPolarHBondContact OE2-CA 3.22Å; E520-H523 VanDerWaalsContact OE2-CB 3.28Å; E520-H523 WeakPolarHBondContact OE2-CB 3.32Å; E520-H523 IonicContact OE2-CG 3.63Å; E520-H523 PolarHBondContact OE2-N 2.8Å; E520-H523 IonicContact OE2-ND1 3.8Å; E520-H523 PolarHBondContact OE2-ND1 2.75Å; E520-H523 VanDerWaalsContact OE2-ND1 3.09Å; H523-I525 HydrophobicContact CB-CG1 4.18Å
524	G	94.1	Very high	93.8	Very high	27 Å²	27	46.2 Å²	46.2	28%	0.278	23%	0.231	S	C	.	.			trans	78.8	21.9	178	0	0	0	0	0	113.9	E520	E520-G524 WeakPolarHBondContact O-CA 3.32Å; E520-G524 PolarHBondContact O-N 2.79Å
525	I	97.3	Very high	93.3	Very high	12 Å²	12	47.5 Å²	47.5	6%	0.062	24%	0.236	C	C	.	.			trans	-73.5	136.5	174.8	-52.9	-52.9	0	0	0	109.3	V395 M399 E520 H523 V549 T550 D551	V395-I525 HydrophobicContact CB-CG1 4.46Å; V395-I525 HydrophobicContact CG1-CB 4.47Å; V395-I525 HydrophobicContact CG1-CG1 3.87Å; M399-I525 HydrophobicContact CB-CG2 4.25Å; M399-I525 HydrophobicContact CE-CB 4.33Å; M399-I525 HydrophobicContact CE-CG2 4.03Å; M399-I525 WeakPolarHBondContact CE-O 2.79Å; M399-I525 HydrophobicContact CG-CG2 4.28Å; E520-I525 HydrophobicContact CB-CB 4.08Å; E520-I525 WeakPolarHBondContact CB-O 3.15Å; E520-I525 PolarHBondContact N-O 2.58Å; H523-I525 HydrophobicContact CB-CG1 4.18Å; I525-V549 HydrophobicContact CG2-CG1 3.64Å; I525-T550 WeakPolarHBondContact CA-O 3.39Å; I525-D551 HydrophobicContact CD1-CB 3.89Å
526	K	97.9	Very high	92.4	Very high	75 Å²	75	48.5 Å²	48.5	33%	0.326	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145.8	176	-60.6	-166.8	-178.1	-157.4	0	111.1	T517 I518 E519 V549 T550	T517-K526 HydrophobicContact CG2-CD 4.46Å; I518-K526 CarbonylContact O-C 3.47Å; I518-K526 VanDerWaalsContact O-CA 3.3Å; I518-K526 WeakPolarHBondContact O-CA 3.24Å; E519-K526 HydrophobicContact CG-CD 4.26Å; E519-K526 HydrophobicContact CG-CG 4.32Å; E519-K526 WeakPolarHBondContact OE1-CE 3.39Å; E519-K526 IonicContact OE1-NZ 2.8Å; E519-K526 PolarHBondContact OE1-NZ 2.86Å; K526-V549 CarbonylContact O-C 3.43Å; K526-V549 WeakPolarHBondContact O-CA 3.2Å; K526-T550 PolarHBondContact N-O 2.84Å; K526-T550 PolarHBondContact O-N 2.94Å
527	C	98.3	Very high	91	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	124.3	163.7	-175.5	0	0	0	0	109.5	M399 T517 I518 V548 V549	M399-C527 HydrophobicContact CE-CB 4.49Å; M399-C527 HydrophobicContact CG-CB 3.61Å; M399-C527 HydrophobicContact SD-CB 3.61Å; T517-C527 CarbonylContact C-O 3.48Å; T517-C527 WeakPolarHBondContact CA-O 3.35Å; I518-C527 HydrophobicContact CB-CB 4.2Å; I518-C527 HydrophobicContact CD1-CB 4.39Å; I518-C527 PolarHBondContact N-O 2.88Å; I518-C527 PolarHBondContact O-N 3.35Å; C527-V548 CarbonylContact C-O 3.53Å; C527-V548 VanDerWaalsContact CA-O 3.27Å; C527-V548 WeakPolarHBondContact CA-O 3.31Å; C527-V549 HydrophobicContact CB-CG2 4.19Å
528	H	97.3	Very high	89.8	Confident	77 Å²	77	54.4 Å²	54.4	36%	0.356	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	107.2	173.5	-65.5	-75.1	0	0	0	108.8	T517 G547 V548	T517-H528 VanDerWaalsContact CG2-CE1 3.42Å; T517-H528 WeakPolarHBondContact CG2-CE1 3.42Å; T517-H528 PolarHBondContact OG1-CE1 3.29Å; T517-H528 PolarHBondContact OG1-ND1 2.86Å; H528-G547 VanDerWaalsContact O-CA 3.23Å; H528-G547 WeakPolarHBondContact O-CA 3.45Å; H528-V548 HydrophobicContact CB-CG2 4.14Å; H528-V548 PolarHBondContact N-O 2.84Å; H528-V548 PolarHBondContact O-N 2.91Å; H528-V548 VanDerWaalsContact O-N 3.1Å
529	L	97.5	Very high	88.8	Confident	3 Å²	3	64.6 Å²	64.6	2%	0.016	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.4	174.4	-63.8	176.2	0	0	0	110.1	A403 T406 V407 E515 M516 I518 Y531 V545 T546	A403-L529 HydrophobicContact CB-CD1 4.22Å; A403-L529 HydrophobicContact CB-CD2 4.32Å; T406-L529 WeakPolarHBondContact OG1-CD1 3.49Å; V407-L529 HydrophobicContact CG2-CD1 3.99Å; E515-L529 CarbonylContact C-O 3.4Å; E515-L529 WeakPolarHBondContact CA-O 3.47Å; M516-L529 HydrophobicContact CB-CB 4.2Å; M516-L529 PolarHBondContact N-O 2.97Å; M516-L529 PolarHBondContact O-N 3.41Å; M516-L529 HydrophobicContact SD-CD1 4.11Å; I518-L529 HydrophobicContact CD1-CD1 3.97Å; L529-Y531 HydrophobicContact CB-CE2 4.04Å; L529-Y531 HydrophobicContact CD1-CE2 4.37Å; L529-V545 HydrophobicContact CD2-CG1 4.38Å; L529-T546 CarbonylContact C-O 3.59Å; L529-T546 WeakPolarHBondContact CA-O 3.23Å
530	K	94.6	Very high	87.9	Confident	75 Å²	75	65.6 Å²	65.6	33%	0.326	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	115.4	174.2	-175.4	173.5	-176.3	171.2	0	109.3	E515 I532 V545 T546	E515-K530 HydrophobicContact CG-CG 4.42Å; K530-I532 HydrophobicContact CG-CG1 4.26Å; K530-V545 WeakPolarHBondContact O-CA 3.24Å; K530-T546 PolarHBondContact N-O 2.79Å; K530-T546 PolarHBondContact O-N 2.86Å
531	Y	93.5	Very high	87.4	Confident	1 Å²	1	69.8 Å²	69.8	0%	0.004	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	111.9	173.2	-69	-112.1	0	0	0	107.4	V407 Y410 V496 N512 Y513 G514 M516 L529 V545 W564	V407-Y531 WeakPolarHBondContact CA-OH 3.16Å; V407-Y531 WeakPolarHBondContact CG2-OH 3.45Å; Y410-Y531 AromaticContact CD2-CE1 3.85Å; Y410-Y531 HydrophobicContact CD2-CE1 3.85Å; Y410-Y531 HydrophobicContact CE2-CE1 4.08Å; Y410-Y531 AromaticContact CE2-CZ 3.99Å; Y410-Y531 WeakPolarHBondContact CE2-OH 3.4Å; Y410-Y531 HydrophobicContact CG-CE1 4.42Å; V496-Y531 HydrophobicContact CB-CD2 4.36Å; V496-Y531 HydrophobicContact CG1-CD2 3.49Å; V496-Y531 VanDerWaalsContact CG1-CD2 3.49Å; V496-Y531 HydrophobicContact CG1-CE2 3.72Å; V496-Y531 HydrophobicContact CG1-CG 4.1Å; V496-Y531 HydrophobicContact CG2-CD1 3.96Å; V496-Y531 HydrophobicContact CG2-CD2 4.1Å; V496-Y531 HydrophobicContact CG2-CE1 4.14Å; V496-Y531 HydrophobicContact CG2-CE2 4.28Å; V496-Y531 HydrophobicContact CG2-CG 3.94Å; N512-Y531 HydrophobicContact CB-CD1 4.38Å; Y513-Y531 WeakPolarHBondContact CA-O 3.48Å; G514-Y531 PolarHBondContact N-O 2.81Å; G514-Y531 PolarHBondContact O-N 2.92Å; M516-Y531 HydrophobicContact CB-CE2 4.24Å; M516-Y531 HydrophobicContact CE-CE2 4.18Å; L529-Y531 HydrophobicContact CB-CE2 4.04Å; L529-Y531 HydrophobicContact CD1-CE2 4.37Å; Y531-V545 HydrophobicContact CD1-CG2 3.67Å; Y531-V545 HydrophobicContact CD2-CG1 4.4Å; Y531-V545 HydrophobicContact CE1-CG2 3.82Å; Y531-V545 HydrophobicContact CE2-CG1 4.3Å; Y531-V545 HydrophobicContact CG-CG2 4.14Å; Y531-W564 AromaticContact CD1-CD1 3.88Å; Y531-W564 HydrophobicContact CD1-CG 4.46Å; Y531-W564 HydrophobicContact CE1-CB 4.18Å
532	I	88.8	Confident	87.1	Confident	32 Å²	32	69.8 Å²	69.8	16%	0.164	35%	0.346	C	S	.	.	P	Polyproline II helix	trans	-84.1	120.9	-169.8	-65.8	167.3	0	0	0	108	K530 R544 T546	K530-I532 HydrophobicContact CG-CG1 4.26Å; I532-R544 HydrophobicContact CB-CB 4.4Å; I532-R544 WeakPolarHBondContact CB-O 3.49Å; I532-R544 HydrophobicContact CD1-CB 4.19Å; I532-R544 HydrophobicContact CD1-CG 4.03Å; I532-R544 PolarHBondContact N-O 2.71Å; I532-T546 HydrophobicContact CD1-CG2 4.1Å
533	P	85.6	Confident	87.1	Confident	65 Å²	65	67.5 Å²	67.5	42%	0.422	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-62.5	146.4	-176.9	26.4	-34.2	0	0	0	110.5	Y513 S535	Y513-P533 HydrophobicContact CD2-CB 4.44Å; Y513-P533 HydrophobicContact CG-CB 4.03Å; P533-S535 PolarHBondContact O-N 3.45Å
534	Y	80.4	Confident	87.1	Confident	92 Å²	92	67 Å²	67	36%	0.361	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-57	133	169.8	180	-94.9	0	0	0	110.3	W509 D511 Y536 P542	W509-Y534 AromaticContact CH2-CD1 3.44Å; W509-Y534 HydrophobicContact CH2-CD1 3.44Å; W509-Y534 VanDerWaalsContact CH2-CD1 3.44Å; W509-Y534 HydrophobicContact CH2-CD2 4.38Å; W509-Y534 HydrophobicContact CH2-CE1 4.12Å; W509-Y534 AromaticContact CH2-CG 3.58Å; W509-Y534 HydrophobicContact CH2-CG 3.58Å; W509-Y534 AromaticContact CZ2-CD1 3.95Å; W509-Y534 HydrophobicContact CZ2-CD1 3.95Å; W509-Y534 HydrophobicContact CZ2-CE1 4.23Å; W509-Y534 HydrophobicContact CZ2-CG 4.47Å; W509-Y534 HydrophobicContact CZ3-CD1 4.35Å; W509-Y534 HydrophobicContact CZ3-CG 4.07Å; D511-Y534 WeakPolarHBondContact OD2-CB 3.3Å; D511-Y534 PolarHBondContact OD2-N 2.76Å; Y534-Y536 HydrophobicContact CD1-CE2 4.43Å; Y534-Y536 AromaticContact CE1-CD1 3.89Å; Y534-Y536 HydrophobicContact CE1-CD1 3.89Å; Y534-Y536 HydrophobicContact CE1-CD2 4Å; Y534-Y536 AromaticContact CE1-CE1 3.76Å; Y534-Y536 HydrophobicContact CE1-CE1 3.76Å; Y534-Y536 AromaticContact CE1-CE2 3.87Å; Y534-Y536 HydrophobicContact CE1-CE2 3.87Å; Y534-Y536 HydrophobicContact CE1-CG 4.01Å; Y534-Y536 AromaticContact CE1-CZ 3.75Å; Y534-P542 HydrophobicContact CD2-CB 4.1Å; Y534-P542 HydrophobicContact CE2-CB 4.4Å
535	S	77.2	Confident	87.2	Confident	51 Å²	51	65.8 Å²	65.8	36%	0.357	32%	0.316	S	S	.	.			trans	-136.8	122.6	178.6	175.2	0	0	0	0	110.2	P533 F537 S538	P533-S535 PolarHBondContact O-N 3.45Å; S535-F537 PolarHBondContact O-N 3.01Å; S535-F537 VanDerWaalsContact O-N 3.16Å; S535-F537 PolarHBondContact OG-N 3.24Å; S535-S538 PolarHBondContact O-N 2.83Å; S535-S538 PolarHBondContact OG-N 3.35Å
536	Y	72.4	Confident	87.1	Confident	142 Å²	142	67.5 Å²	67.5	56%	0.557	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.7	173.8	-69.6	-79.5	0	0	0	113.6	Y534	Y534-Y536 HydrophobicContact CD1-CE2 4.43Å; Y534-Y536 AromaticContact CE1-CD1 3.89Å; Y534-Y536 HydrophobicContact CE1-CD1 3.89Å; Y534-Y536 HydrophobicContact CE1-CD2 4Å; Y534-Y536 AromaticContact CE1-CE1 3.76Å; Y534-Y536 HydrophobicContact CE1-CE1 3.76Å; Y534-Y536 AromaticContact CE1-CE2 3.87Å; Y534-Y536 HydrophobicContact CE1-CE2 3.87Å; Y534-Y536 HydrophobicContact CE1-CG 4.01Å; Y534-Y536 AromaticContact CE1-CZ 3.75Å
537	F	66.1	Low	87	Confident	127 Å²	127	64.2 Å²	64.2	56%	0.557	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.6	-15.6	-177	-56.4	-73.4	0	0	0	113.1	W51 Y54 S535	W51-F537 HydrophobicContact CH2-CZ 4.3Å; W51-F537 HydrophobicContact CZ2-CE1 4.38Å; W51-F537 AromaticContact CZ2-CZ 3.76Å; W51-F537 HydrophobicContact CZ2-CZ 3.76Å; Y54-F537 HydrophobicContact CD1-CE1 4.09Å; Y54-F537 AromaticContact CD1-CZ 3.83Å; Y54-F537 HydrophobicContact CD1-CZ 3.83Å; Y54-F537 AromaticContact CE1-CE1 3.48Å; Y54-F537 HydrophobicContact CE1-CE1 3.48Å; Y54-F537 VanDerWaalsContact CE1-CE1 3.48Å; Y54-F537 HydrophobicContact CE1-CE2 4Å; Y54-F537 AromaticContact CE1-CZ 3.08Å; Y54-F537 HydrophobicContact CE1-CZ 3.08Å; Y54-F537 AromaticContact CZ-CZ 3.54Å; S535-F537 PolarHBondContact O-N 3.01Å; S535-F537 VanDerWaalsContact O-N 3.16Å; S535-F537 PolarHBondContact OG-N 3.24Å
538	S	71.3	Confident	86.9	Confident	49 Å²	49	66.7 Å²	66.7	34%	0.343	33%	0.329	S	S	.	.			trans	-82.6	136.6	178.3	-167.8	0	0	0	0	110.2	S535 D540	S535-S538 PolarHBondContact O-N 2.83Å; S535-S538 PolarHBondContact OG-N 3.35Å; S538-D540 WeakPolarHBondContact OG-CB 3.17Å; S538-D540 PolarHBondContact OG-N 2.72Å; S538-D540 PolarHBondContact OG-OD2 2.66Å
539	K	76.2	Confident	86.9	Confident	213 Å²	213	63 Å²	63	93%	0.926	31%	0.312	S	S	*	.			trans	-83.6	0.4	165.3	-65.4	-173.8	178.6	-177.2	0	112
540	D	78.4	Confident	86.7	Confident	76 Å²	76	63.7 Å²	63.7	41%	0.406	32%	0.317	S	S	.	.	S	Bend	trans	-63	150.4	176.8	-71.7	-43.8	0	0	0	111.1	S538 R544	S538-D540 WeakPolarHBondContact OG-CB 3.17Å; S538-D540 PolarHBondContact OG-N 2.72Å; S538-D540 PolarHBondContact OG-OD2 2.66Å; D540-R544 VanDerWaalsContact CG-CZ 3.47Å; D540-R544 IonicContact OD1-CZ 3.16Å; D540-R544 IonicContact OD1-NH1 2.71Å; D540-R544 PolarHBondContact OD1-NH1 3.42Å; D540-R544 IonicContact OD1-NH2 2.76Å; D540-R544 PolarHBondContact OD1-NH2 2.78Å; D540-R544 IonicContact OD2-CZ 3.82Å; D540-R544 IonicContact OD2-NH1 3.47Å; D540-R544 IonicContact OD2-NH2 2.66Å; D540-R544 PolarHBondContact OD2-NH2 2.79Å
541	T	86.4	Confident	86.6	Confident	90 Å²	90	61.4 Å²	61.4	55%	0.552	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-53.3	126.3	169.6	-50.4	0	0	0	0	109.4	R544 T563	T541-R544 WeakPolarHBondContact O-CB 3.4Å; T541-T563 HydrophobicContact CG2-CG2 3.86Å
542	P	88.6	Confident	86.5	Confident	50 Å²	50	68.9 Å²	68.9	33%	0.325	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	158.8	176	28.8	-35.5	0	0	0	110	Y534 R544	Y534-P542 HydrophobicContact CD2-CB 4.1Å; Y534-P542 HydrophobicContact CE2-CB 4.4Å; P542-R544 PolarHBondContact O-N 2.76Å; P542-R544 VanDerWaalsContact O-N 3.11Å
543	R	92.6	Very high	86.4	Confident	79 Å²	79	73.5 Å²	73.5	30%	0.298	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	17.9	174.3	-54.3	-178.1	-70.9	-86.6	6.7	114.7	T563 W564 D565	R543-T563 VanDerWaalsContact O-CA 3.24Å; R543-T563 WeakPolarHBondContact O-CA 3.45Å; R543-T563 WeakPolarHBondContact O-CB 3.35Å; R543-W564 HydrophobicContact CB-CD2 3.95Å; R543-W564 VanDerWaalsContact CB-CE2 3.42Å; R543-W564 HydrophobicContact CB-CG 4.24Å; R543-W564 HydrophobicContact CB-CZ2 3.81Å; R543-W564 HydrophobicContact CG-CD2 4.3Å; R543-W564 VanDerWaalsContact CG-CE2 3.48Å; R543-W564 HydrophobicContact CG-CH2 3.89Å; R543-W564 HydrophobicContact CG-CZ2 3.26Å; R543-W564 PolarHBondContact O-N 2.65Å; R543-W564 VanDerWaalsContact O-N 3.11Å; R543-D565 IonicContact CZ-OD2 3.43Å; R543-D565 IonicContact NE-OD1 2.81Å; R543-D565 PolarHBondContact NE-OD1 2.87Å; R543-D565 VanDerWaalsContact NE-OD1 3.17Å; R543-D565 IonicContact NE-OD2 2.8Å; R543-D565 PolarHBondContact NE-OD2 3.37Å; R543-D565 IonicContact NH2-OD2 3.67Å; R543-D565 PolarHBondContact NH2-OD2 2.72Å
544	R	94.1	Very high	86.5	Confident	72 Å²	72	72.6 Å²	72.6	27%	0.272	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	134.7	-178.2	-171.6	171.7	68.9	-168.3	-5.6	111.1	I532 D540 T541 P542 T546 G562	I532-R544 HydrophobicContact CB-CB 4.4Å; I532-R544 WeakPolarHBondContact CB-O 3.49Å; I532-R544 HydrophobicContact CD1-CB 4.19Å; I532-R544 HydrophobicContact CD1-CG 4.03Å; I532-R544 PolarHBondContact N-O 2.71Å; D540-R544 VanDerWaalsContact CG-CZ 3.47Å; D540-R544 IonicContact OD1-CZ 3.16Å; D540-R544 IonicContact OD1-NH1 2.71Å; D540-R544 PolarHBondContact OD1-NH1 3.42Å; D540-R544 IonicContact OD1-NH2 2.76Å; D540-R544 PolarHBondContact OD1-NH2 2.78Å; D540-R544 IonicContact OD2-CZ 3.82Å; D540-R544 IonicContact OD2-NH1 3.47Å; D540-R544 IonicContact OD2-NH2 2.66Å; D540-R544 PolarHBondContact OD2-NH2 2.79Å; T541-R544 WeakPolarHBondContact O-CB 3.4Å; P542-R544 PolarHBondContact O-N 2.76Å; P542-R544 VanDerWaalsContact O-N 3.11Å; R544-T546 HydrophobicContact CG-CG2 4.35Å; R544-G562 WeakPolarHBondContact CA-O 3.45Å
545	V	95.8	Very high	87	Confident	0 Å²	0	71.8 Å²	71.8	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	134	170.2	-174.9	0	0	0	0	108.4	V407 L529 K530 Y531 K561 G562 W564 I568	V407-V545 HydrophobicContact CG1-CG2 4.45Å; V407-V545 HydrophobicContact CG2-CG1 4.14Å; L529-V545 HydrophobicContact CD2-CG1 4.38Å; K530-V545 WeakPolarHBondContact O-CA 3.24Å; Y531-V545 HydrophobicContact CD1-CG2 3.67Å; Y531-V545 HydrophobicContact CD2-CG1 4.4Å; Y531-V545 HydrophobicContact CE1-CG2 3.82Å; Y531-V545 HydrophobicContact CE2-CG1 4.3Å; Y531-V545 HydrophobicContact CG-CG2 4.14Å; V545-K561 CarbonylContact O-C 3.57Å; V545-K561 WeakPolarHBondContact O-CA 3.43Å; V545-G562 PolarHBondContact N-O 2.77Å; V545-G562 PolarHBondContact O-N 3.41Å; V545-W564 HydrophobicContact CG2-CB 3.82Å; V545-W564 HydrophobicContact CG2-CG 4.24Å; V545-I568 HydrophobicContact CB-CD1 4.14Å; V545-I568 HydrophobicContact CG1-CD1 4.25Å
546	T	95.7	Very high	87.8	Confident	48 Å²	48	71.5 Å²	71.5	29%	0.294	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.4	172.6	58.4	0	0	0	0	109.5	L529 K530 I532 R544 L560	L529-T546 CarbonylContact C-O 3.59Å; L529-T546 WeakPolarHBondContact CA-O 3.23Å; K530-T546 PolarHBondContact N-O 2.79Å; K530-T546 PolarHBondContact O-N 2.86Å; I532-T546 HydrophobicContact CD1-CG2 4.1Å; R544-T546 HydrophobicContact CG-CG2 4.35Å; T546-L560 CarbonylContact C-O 3.56Å; T546-L560 WeakPolarHBondContact CA-O 3.48Å
547	G	95.8	Very high	88.6	Confident	7 Å²	7	67.5 Å²	67.5	7%	0.072	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	156.4	-179.5	0	0	0	0	0	114	H528 M559 L560	H528-G547 VanDerWaalsContact O-CA 3.23Å; H528-G547 WeakPolarHBondContact O-CA 3.45Å; G547-M559 CarbonylContact O-C 3.54Å; G547-M559 WeakPolarHBondContact O-CA 3.34Å; G547-L560 PolarHBondContact N-O 2.86Å; G547-L560 PolarHBondContact O-N 2.81Å
548	V	96	Very high	89.9	Confident	51 Å²	51	62.2 Å²	62.2	31%	0.309	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	137.7	169.4	-66.7	0	0	0	0	109.6	C527 H528 T550 V556 W558 M559	C527-V548 CarbonylContact C-O 3.53Å; C527-V548 VanDerWaalsContact CA-O 3.27Å; C527-V548 WeakPolarHBondContact CA-O 3.31Å; H528-V548 HydrophobicContact CB-CG2 4.14Å; H528-V548 PolarHBondContact N-O 2.84Å; H528-V548 PolarHBondContact O-N 2.91Å; H528-V548 VanDerWaalsContact O-N 3.1Å; V548-T550 HydrophobicContact CG2-CG2 4.49Å; V548-V556 HydrophobicContact CB-CG1 4.17Å; V548-V556 HydrophobicContact CG1-CG1 4.31Å; V548-W558 CarbonylContact C-O 3.6Å; V548-W558 WeakPolarHBondContact CA-O 3.41Å; V548-M559 HydrophobicContact CG1-CG 4.39Å
549	V	97	Very high	91	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	123.3	171.7	-179.2	0	0	0	0	108.4	C396 M399 I525 K526 C527 V556 H557 W558 L560	C396-V549 HydrophobicContact CB-CG1 4.35Å; M399-V549 HydrophobicContact CB-CG1 4.07Å; M399-V549 HydrophobicContact CB-CG2 4.48Å; M399-V549 HydrophobicContact CG-CG1 3.86Å; M399-V549 HydrophobicContact CG-CG2 3.94Å; I525-V549 HydrophobicContact CG2-CG1 3.64Å; K526-V549 CarbonylContact O-C 3.43Å; K526-V549 WeakPolarHBondContact O-CA 3.2Å; C527-V549 HydrophobicContact CB-CG2 4.19Å; V549-V556 CarbonylContact O-C 3.52Å; V549-V556 WeakPolarHBondContact O-CA 3.38Å; V549-H557 PolarHBondContact O-N 2.83Å; V549-W558 HydrophobicContact CB-CB 3.97Å; V549-W558 HydrophobicContact CG2-CB 3.97Å; V549-W558 PolarHBondContact N-O 2.69Å; V549-L560 HydrophobicContact CG2-CD1 3.74Å
550	T	94.7	Very high	91.9	Very high	17 Å²	17	53.3 Å²	53.3	10%	0.104	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	145	-176.8	55.8	0	0	0	0	111.7	I525 K526 V548 T555 V556	I525-T550 WeakPolarHBondContact CA-O 3.39Å; K526-T550 PolarHBondContact N-O 2.84Å; K526-T550 PolarHBondContact O-N 2.94Å; V548-T550 HydrophobicContact CG2-CG2 4.49Å; T550-T555 WeakPolarHBondContact CA-O 3.42Å; T550-V556 HydrophobicContact CG2-CG2 3.89Å
551	D	91.6	Very high	92.7	Very high	27 Å²	27	54 Å²	54	14%	0.144	28%	0.284	C	S	.	.			trans	-79	-176.8	167.5	62	21.5	0	0	0	112.5	I525 E553 G554 T555 H557	I525-D551 HydrophobicContact CD1-CB 3.89Å; D551-E553 PolarHBondContact O-N 2.9Å; D551-E553 WeakPolarHBondContact OD1-CA 3Å; D551-E553 WeakPolarHBondContact OD1-CB 3.4Å; D551-E553 PolarHBondContact OD1-N 2.88Å; D551-E553 VanDerWaalsContact OD1-N 3.12Å; D551-G554 PolarHBondContact O-N 2.92Å; D551-G554 PolarHBondContact OD1-N 3.15Å; D551-T555 PolarHBondContact N-O 3.36Å; D551-T555 VanDerWaalsContact N-O 3.11Å; D551-T555 WeakPolarHBondContact OD1-CB 3.3Å; D551-T555 PolarHBondContact OD1-N 2.67Å; D551-T555 VanDerWaalsContact OD2-CB 3.31Å; D551-T555 WeakPolarHBondContact OD2-CB 3.3Å; D551-H557 IonicContact OD2-CD2 3.17Å; D551-H557 IonicContact OD2-CE1 3.7Å; D551-H557 IonicContact OD2-NE2 3.69Å; D551-H557 PolarHBondContact OD2-NE2 3.47Å
552	K	90.8	Very high	93.1	Very high	159 Å²	159	50 Å²	50	69%	0.691	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-23.5	-179.5	67.3	-173.8	-175.4	-170.8	0	113	G554	K552-G554 VanDerWaalsContact C-N 3.3Å
553	E	88	Confident	93.4	Very high	128 Å²	128	48.1 Å²	48.1	60%	0.598	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.1	-10.1	173	-67.1	76	-163	0	0	112.8	D551	D551-E553 PolarHBondContact O-N 2.9Å; D551-E553 WeakPolarHBondContact OD1-CA 3Å; D551-E553 WeakPolarHBondContact OD1-CB 3.4Å; D551-E553 PolarHBondContact OD1-N 2.88Å; D551-E553 VanDerWaalsContact OD1-N 3.12Å
554	G	87.6	Confident	93.4	Very high	47 Å²	47	44.4 Å²	44.4	49%	0.485	24%	0.235	S	C	.	.			trans	85.6	9.7	-176.3	0	0	0	0	0	114	D551 K552	D551-G554 PolarHBondContact O-N 2.92Å; D551-G554 PolarHBondContact OD1-N 3.15Å; K552-G554 VanDerWaalsContact C-N 3.3Å
555	T	91	Very high	93.4	Very high	75 Å²	75	42.3 Å²	42.3	46%	0.46	23%	0.229	S	C	.	.			trans	-72	128.7	177	-52.4	0	0	0	0	109.8	T550 D551 H557	T550-T555 WeakPolarHBondContact CA-O 3.42Å; D551-T555 PolarHBondContact N-O 3.36Å; D551-T555 VanDerWaalsContact N-O 3.11Å; D551-T555 WeakPolarHBondContact OD1-CB 3.3Å; D551-T555 PolarHBondContact OD1-N 2.67Å; D551-T555 VanDerWaalsContact OD2-CB 3.31Å; D551-T555 WeakPolarHBondContact OD2-CB 3.3Å; T555-H557 PolarHBondContact O-CD2 2.86Å; T555-H557 VanDerWaalsContact O-CD2 3.22Å
556	V	92.6	Very high	93.1	Very high	44 Å²	44	45.7 Å²	45.7	27%	0.267	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	121.7	178.9	-175	0	0	0	0	110.2	V548 V549 T550 M559 V573	V548-V556 HydrophobicContact CB-CG1 4.17Å; V548-V556 HydrophobicContact CG1-CG1 4.31Å; V549-V556 CarbonylContact O-C 3.52Å; V549-V556 WeakPolarHBondContact O-CA 3.38Å; T550-V556 HydrophobicContact CG2-CG2 3.89Å; V556-M559 HydrophobicContact CG1-CG 4.37Å; V556-V573 HydrophobicContact CG1-CG2 3.84Å
557	H	90	Very high	93	Very high	59 Å²	59	46.1 Å²	46.1	27%	0.273	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-34.4	177.7	-70.9	-87.3	0	0	0	112.8	C396 V549 D551 T555 V573	C396-H557 HydrophobicContact CB-CB 4.21Å; V549-H557 PolarHBondContact O-N 2.83Å; D551-H557 IonicContact OD2-CD2 3.17Å; D551-H557 IonicContact OD2-CE1 3.7Å; D551-H557 IonicContact OD2-NE2 3.69Å; D551-H557 PolarHBondContact OD2-NE2 3.47Å; T555-H557 PolarHBondContact O-CD2 2.86Å; T555-H557 VanDerWaalsContact O-CD2 3.22Å; H557-V573 PolarHBondContact O-N 2.84Å
558	W	93.2	Very high	93	Very high	15 Å²	15	45.8 Å²	45.8	6%	0.057	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	147.8	-178.6	-63.8	84.4	0	0	0	111.4	E397 C400 V548 V549 C570 A571 K572	E397-W558 HydrophobicContact CB-CZ2 4.08Å; E397-W558 HydrophobicContact CG-CZ2 4.24Å; C400-W558 WeakPolarHBondContact SG-CB 3.46Å; V548-W558 CarbonylContact C-O 3.6Å; V548-W558 WeakPolarHBondContact CA-O 3.41Å; V549-W558 HydrophobicContact CB-CB 3.97Å; V549-W558 HydrophobicContact CG2-CB 3.97Å; V549-W558 PolarHBondContact N-O 2.69Å; W558-C570 HydrophobicContact CE3-CB 4.07Å; W558-A571 WeakPolarHBondContact CA-O 3.3Å; W558-A571 VanDerWaalsContact CE3-C 3.42Å; W558-K572 HydrophobicContact CD2-CB 4.12Å; W558-K572 HydrophobicContact CD2-CG 4.31Å; W558-K572 HydrophobicContact CE3-CB 3.9Å; W558-K572 VanDerWaalsContact CE3-N 3.3Å; W558-K572 HydrophobicContact CH2-CB 3.82Å; W558-K572 HydrophobicContact CH2-CD 4.26Å; W558-K572 HydrophobicContact CH2-CG 4.29Å; W558-K572 HydrophobicContact CZ2-CB 4.05Å; W558-K572 HydrophobicContact CZ2-CD 3.91Å; W558-K572 HydrophobicContact CZ2-CG 4.02Å; W558-K572 HydrophobicContact CZ3-CB 3.74Å
559	M	94	Very high	92.8	Very high	71 Å²	71	44.3 Å²	44.3	35%	0.35	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.2	168.2	-64.9	-169.5	-68.9	0	0	109.5	F302 G547 V548 V556 C570 A571 V573	F302-M559 HydrophobicContact CE2-CE 4.33Å; F302-M559 HydrophobicContact CE2-SD 4.39Å; F302-M559 HydrophobicContact CZ-CE 3.86Å; F302-M559 HydrophobicContact CZ-SD 4.44Å; G547-M559 CarbonylContact O-C 3.54Å; G547-M559 WeakPolarHBondContact O-CA 3.34Å; V548-M559 HydrophobicContact CG1-CG 4.39Å; V556-M559 HydrophobicContact CG1-CG 4.37Å; M559-C570 CarbonylContact O-C 3.55Å; M559-C570 VanDerWaalsContact O-CA 3.23Å; M559-C570 WeakPolarHBondContact O-CA 3.27Å; M559-A571 PolarHBondContact N-O 3.4Å; M559-A571 PolarHBondContact O-N 2.99Å; M559-V573 HydrophobicContact CE-CG2 4.34Å; M559-V573 HydrophobicContact CG-CG2 3.91Å
560	L	96.1	Very high	92.6	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.021	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	142.3	174.1	-61.2	92.2	0	0	0	109.8	A403 T546 G547 V549 I568 E569 C570	A403-L560 HydrophobicContact CB-CD2 3.64Å; T546-L560 CarbonylContact C-O 3.56Å; T546-L560 WeakPolarHBondContact CA-O 3.48Å; G547-L560 PolarHBondContact N-O 2.86Å; G547-L560 PolarHBondContact O-N 2.81Å; V549-L560 HydrophobicContact CG2-CD1 3.74Å; L560-I568 HydrophobicContact CB-CG1 4.45Å; L560-I568 HydrophobicContact CD2-CG1 4.39Å; L560-E569 VanDerWaalsContact CA-O 3.29Å; L560-E569 WeakPolarHBondContact CA-O 3.49Å; L560-C570 HydrophobicContact CG-CB 4.16Å
561	K	94.2	Very high	92.4	Very high	90 Å²	90	44.1 Å²	44.1	39%	0.391	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	153.8	174.8	67.5	-168.5	-170.9	-157.6	0	109.7	V545 I568 E569 D583	V545-K561 CarbonylContact O-C 3.57Å; V545-K561 WeakPolarHBondContact O-CA 3.43Å; K561-I568 WeakPolarHBondContact O-CD1 3.3Å; K561-E569 HydrophobicContact CD-CG 4.29Å; K561-E569 WeakPolarHBondContact CE-OE1 3.34Å; K561-E569 HydrophobicContact CG-CG 3.5Å; K561-E569 WeakPolarHBondContact CG-OE1 3.5Å; K561-E569 PolarHBondContact N-O 3.41Å; K561-E569 IonicContact NZ-OE1 3.8Å; K561-E569 WeakPolarHBondContact O-CG 3.46Å; K561-E569 PolarHBondContact O-N 2.84Å; K561-D583 IonicContact NZ-OD1 3.8Å; K561-D583 IonicContact NZ-OD2 2.9Å; K561-D583 PolarHBondContact NZ-OD2 2.8Å
562	G	94.9	Very high	92.2	Very high	6 Å²	6	47.8 Å²	47.8	6%	0.062	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	157.1	-160.2	176.4	0	0	0	0	0	112.4	R544 V545 Y567	R544-G562 WeakPolarHBondContact CA-O 3.45Å; V545-G562 PolarHBondContact N-O 2.77Å; V545-G562 PolarHBondContact O-N 3.41Å; G562-Y567 CarbonylContact C-O 3.58Å; G562-Y567 VanDerWaalsContact CA-O 3.32Å; G562-Y567 WeakPolarHBondContact CA-O 3.03Å
563	T	95	Very high	92	Very high	12 Å²	12	43 Å²	43	7%	0.074	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	139.8	172.2	69	0	0	0	0	110	T541 R543 D565 D566 Y567	T541-T563 HydrophobicContact CG2-CG2 3.86Å; R543-T563 VanDerWaalsContact O-CA 3.24Å; R543-T563 WeakPolarHBondContact O-CA 3.45Å; R543-T563 WeakPolarHBondContact O-CB 3.35Å; T563-D565 WeakPolarHBondContact CB-OD1 3.22Å; T563-D565 PolarHBondContact O-N 3.44Å; T563-D565 PolarHBondContact OG1-OD1 3.11Å; T563-D566 PolarHBondContact O-N 2.98Å; T563-D566 VanDerWaalsContact OG1-CB 3.25Å; T563-D566 WeakPolarHBondContact OG1-CB 3.42Å; T563-Y567 PolarHBondContact N-O 3.48Å; T563-Y567 PolarHBondContact O-N 2.75Å
564	W	94.2	Very high	91.2	Very high	1 Å²	1	39.8 Å²	39.8	0%	0.004	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-12.4	-172.9	52.4	-109.5	0	0	0	114	V407 A411 T413 V414 N512 Y531 R543 V545	V407-W564 HydrophobicContact CG1-CB 3.92Å; A411-W564 VanDerWaalsContact CA-O 3.24Å; A411-W564 WeakPolarHBondContact CA-O 3.43Å; A411-W564 PolarHBondContact N-O 3.08Å; T413-W564 WeakPolarHBondContact OG1-CZ3 3.18Å; V414-W564 HydrophobicContact CB-CH2 4.37Å; V414-W564 HydrophobicContact CB-CZ3 3.89Å; N512-W564 HydrophobicContact CB-CZ2 4.39Å; N512-W564 WeakPolarHBondContact ND2-CZ2 3.29Å; Y531-W564 AromaticContact CD1-CD1 3.88Å; Y531-W564 HydrophobicContact CD1-CG 4.46Å; Y531-W564 HydrophobicContact CE1-CB 4.18Å; R543-W564 HydrophobicContact CB-CD2 3.95Å; R543-W564 VanDerWaalsContact CB-CE2 3.42Å; R543-W564 HydrophobicContact CB-CG 4.24Å; R543-W564 HydrophobicContact CB-CZ2 3.81Å; R543-W564 HydrophobicContact CG-CD2 4.3Å; R543-W564 VanDerWaalsContact CG-CE2 3.48Å; R543-W564 HydrophobicContact CG-CH2 3.89Å; R543-W564 HydrophobicContact CG-CZ2 3.26Å; R543-W564 PolarHBondContact O-N 2.65Å; R543-W564 VanDerWaalsContact O-N 3.11Å; V545-W564 HydrophobicContact CG2-CB 3.82Å; V545-W564 HydrophobicContact CG2-CG 4.24Å
565	D	92.1	Very high	89.7	Confident	27 Å²	27	40.2 Å²	40.2	14%	0.144	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-5.9	179.5	67.1	-51.1	0	0	0	114.9	V414 R543 T563 T589	V414-D565 HydrophobicContact CB-CB 3.98Å; V414-D565 HydrophobicContact CG1-CB 4.32Å; V414-D565 HydrophobicContact CG2-CB 4.1Å; R543-D565 IonicContact CZ-OD2 3.43Å; R543-D565 IonicContact NE-OD1 2.81Å; R543-D565 PolarHBondContact NE-OD1 2.87Å; R543-D565 VanDerWaalsContact NE-OD1 3.17Å; R543-D565 IonicContact NE-OD2 2.8Å; R543-D565 PolarHBondContact NE-OD2 3.37Å; R543-D565 IonicContact NH2-OD2 3.67Å; R543-D565 PolarHBondContact NH2-OD2 2.72Å; T563-D565 WeakPolarHBondContact CB-OD1 3.22Å; T563-D565 PolarHBondContact O-N 3.44Å; T563-D565 PolarHBondContact OG1-OD1 3.11Å; D565-T589 WeakPolarHBondContact O-CG2 3.45Å; D565-T589 PolarHBondContact O-OG1 2.67Å
566	D	91.1	Very high	87.5	Confident	72 Å²	72	46.7 Å²	46.7	39%	0.385	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.2	-63.1	-172	-167.4	13.4	0	0	0	111.9	T563 E588 T589	T563-D566 PolarHBondContact O-N 2.98Å; T563-D566 VanDerWaalsContact OG1-CB 3.25Å; T563-D566 WeakPolarHBondContact OG1-CB 3.42Å; D566-E588 CarbonylContact O-C 3.6Å; D566-E588 WeakPolarHBondContact O-CA 3.37Å; D566-T589 WeakPolarHBondContact CA-OG1 3.3Å; D566-T589 WeakPolarHBondContact O-CG2 3.16Å; D566-T589 PolarHBondContact O-N 2.89Å; D566-T589 PolarHBondContact O-OG1 3.03Å; D566-T589 VanDerWaalsContact O-OG1 3.07Å
567	Y	92.7	Very high	85	Confident	56 Å²	56	51.2 Å²	51.2	22%	0.22	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	164	-177.6	70.9	-85.8	0	0	0	112.9	G562 T563 E569 H585 F587	G562-Y567 CarbonylContact C-O 3.58Å; G562-Y567 VanDerWaalsContact CA-O 3.32Å; G562-Y567 WeakPolarHBondContact CA-O 3.03Å; T563-Y567 PolarHBondContact N-O 3.48Å; T563-Y567 PolarHBondContact O-N 2.75Å; Y567-E569 HydrophobicContact CE2-CG 4.15Å; Y567-H585 AromaticContact CD2-CE1 3.98Å; Y567-H585 AromaticContact CD2-ND1 3.99Å; Y567-F587 CarbonylContact C-O 3.53Å; Y567-F587 VanDerWaalsContact CA-O 3.28Å; Y567-F587 WeakPolarHBondContact CA-O 3.4Å; Y567-F587 WeakPolarHBondContact CB-O 3.4Å
568	I	95.5	Very high	82.8	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.5	163.7	-157.5	80.6	0	0	0	109.5	A404 V407 V545 L560 K561 V586 F587	A404-I568 HydrophobicContact CB-CG2 3.4Å; A404-I568 VanDerWaalsContact CB-CG2 3.4Å; V407-I568 HydrophobicContact CG2-CD1 4.41Å; V545-I568 HydrophobicContact CB-CD1 4.14Å; V545-I568 HydrophobicContact CG1-CD1 4.25Å; L560-I568 HydrophobicContact CB-CG1 4.45Å; L560-I568 HydrophobicContact CD2-CG1 4.39Å; K561-I568 WeakPolarHBondContact O-CD1 3.3Å; I568-V586 HydrophobicContact CG2-CB 4.19Å; I568-V586 HydrophobicContact CG2-CG2 4.24Å; I568-V586 PolarHBondContact O-N 2.79Å; I568-F587 HydrophobicContact CB-CD1 4.38Å; I568-F587 HydrophobicContact CG2-CB 3.79Å; I568-F587 HydrophobicContact CG2-CD1 4.03Å; I568-F587 HydrophobicContact CG2-CG 4.4Å; I568-F587 PolarHBondContact N-O 2.92Å; I568-F587 PolarHBondContact O-N 2.79Å
569	E	93.1	Very high	80.3	Confident	21 Å²	21	61.7 Å²	61.7	10%	0.098	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	151.4	175.4	63.7	-171.2	152.7	0	0	110.1	L560 K561 Y567 K584	L560-E569 VanDerWaalsContact CA-O 3.29Å; L560-E569 WeakPolarHBondContact CA-O 3.49Å; K561-E569 HydrophobicContact CD-CG 4.29Å; K561-E569 WeakPolarHBondContact CE-OE1 3.34Å; K561-E569 HydrophobicContact CG-CG 3.5Å; K561-E569 WeakPolarHBondContact CG-OE1 3.5Å; K561-E569 PolarHBondContact N-O 3.41Å; K561-E569 IonicContact NZ-OE1 3.8Å; K561-E569 WeakPolarHBondContact O-CG 3.46Å; K561-E569 PolarHBondContact O-N 2.84Å; Y567-E569 HydrophobicContact CE2-CG 4.15Å; E569-K584 CarbonylContact C-O 3.6Å; E569-K584 VanDerWaalsContact CA-O 3.24Å; E569-K584 WeakPolarHBondContact CA-O 3.49Å; E569-K584 WeakPolarHBondContact CB-O 3.46Å
570	C	92.1	Very high	77.8	Confident	3 Å²	3	66 Å²	66	2%	0.02	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	147.7	173.2	68.7	0	0	0	0	111.3	C400 W558 M559 L560 K584 V586	C400-C570 HydrophobicContact CB-CB 4.07Å; W558-C570 HydrophobicContact CE3-CB 4.07Å; M559-C570 CarbonylContact O-C 3.55Å; M559-C570 VanDerWaalsContact O-CA 3.23Å; M559-C570 WeakPolarHBondContact O-CA 3.27Å; L560-C570 HydrophobicContact CG-CB 4.16Å; C570-K584 PolarHBondContact N-O 3.03Å; C570-K584 PolarHBondContact O-N 3.47Å; C570-V586 HydrophobicContact CB-CG2 3.87Å; C570-V586 VanDerWaalsContact SG-CG2 3.57Å
571	A	89.7	Confident	75.4	Confident	10 Å²	10	71.6 Å²	71.6	8%	0.083	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	131.7	176	0	0	0	0	0	109.3	W558 M559 D583	W558-A571 WeakPolarHBondContact CA-O 3.3Å; W558-A571 VanDerWaalsContact CE3-C 3.42Å; M559-A571 PolarHBondContact N-O 3.4Å; M559-A571 PolarHBondContact O-N 2.99Å; A571-D583 WeakPolarHBondContact CB-OD1 3.37Å
572	K	89.2	Confident	73.5	Confident	103 Å²	103	71 Å²	71	45%	0.448	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	133.2	176.8	-166	169.6	-175	168.5	0	109.5	W558 V574	W558-K572 HydrophobicContact CD2-CB 4.12Å; W558-K572 HydrophobicContact CD2-CG 4.31Å; W558-K572 HydrophobicContact CE3-CB 3.9Å; W558-K572 VanDerWaalsContact CE3-N 3.3Å; W558-K572 HydrophobicContact CH2-CB 3.82Å; W558-K572 HydrophobicContact CH2-CD 4.26Å; W558-K572 HydrophobicContact CH2-CG 4.29Å; W558-K572 HydrophobicContact CZ2-CB 4.05Å; W558-K572 HydrophobicContact CZ2-CD 3.91Å; W558-K572 HydrophobicContact CZ2-CG 4.02Å; W558-K572 HydrophobicContact CZ3-CB 3.74Å; K572-V574 PolarHBondContact O-N 3.37Å; K572-V574 VanDerWaalsContact O-N 3.16Å
573	V	84.9	Confident	72.1	Confident	60 Å²	60	74.1 Å²	74.1	36%	0.364	40%	0.401	S	S	.	.			trans	-77.7	103.6	173.7	-178.7	0	0	0	0	107.9	V556 H557 M559	V556-V573 HydrophobicContact CG1-CG2 3.84Å; H557-V573 PolarHBondContact O-N 2.84Å; M559-V573 HydrophobicContact CE-CG2 4.34Å; M559-V573 HydrophobicContact CG-CG2 3.91Å
574	V	72.9	Confident	71.3	Confident	59 Å²	59	75.9 Å²	75.9	36%	0.358	41%	0.408	S	S	.	.			trans	-87.3	125.5	174.3	-166.7	0	0	0	0	107.6	K572 Q576 S578	K572-V574 PolarHBondContact O-N 3.37Å; K572-V574 VanDerWaalsContact O-N 3.16Å; V574-Q576 PolarHBondContact O-N 3.26Å; V574-S578 WeakPolarHBondContact CG1-O 3.41Å
575	G	56	Low	70.1	Confident	57 Å²	57	80.4 Å²	80.4	59%	0.588	43%	0.429	S	S	*	.			trans	-48.8	143.7	167.5	0	0	0	0	0	109.1	T577	G575-T577 PolarHBondContact O-N 3.39Å
576	Q	43.8	Very low	69.2	Low	211 Å²	211	79.3 Å²	79.3	99%	0.986	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.7	1.5	-160.8	-74.2	-179.2	-28.9	0	0	119.8	V574	V574-Q576 PolarHBondContact O-N 3.26Å
577	T	41.3	Very low	68.6	Low	138 Å²	138	76.2 Å²	76.2	85%	0.847	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.8	3.6	-172	3.9	0	0	0	0	116.3	G575	G575-T577 PolarHBondContact O-N 3.39Å
578	S	42.3	Very low	67.8	Low	77 Å²	77	80 Å²	80	54%	0.538	43%	0.426	S	S	.	.			trans	-137.8	110.5	177.3	-87.6	0	0	0	0	113.9	V574 Q580	V574-S578 WeakPolarHBondContact CG1-O 3.41Å; S578-Q580 PolarHBondContact O-N 3.1Å
579	K	40.5	Very low	66.5	Low	217 Å²	217	81.6 Å²	81.6	94%	0.943	44%	0.436	S	S	*	.			trans	-74.6	29.7	-179.2	-79.3	-177.1	173.5	176.6	0	114.4	N581	K579-N581 PolarHBondContact O-N 2.68Å
580	Q	41.5	Very low	65.6	Low	161 Å²	161	85.2 Å²	85.2	75%	0.752	46%	0.456	S	S	*	.			trans	-93.9	74.3	170.9	-76.3	-173.3	-11.9	0	0	109.7	S578 S582	S578-Q580 PolarHBondContact O-N 3.1Å; Q580-S582 VanDerWaalsContact C-N 3.27Å; Q580-S582 PolarHBondContact O-N 2.68Å
581	N	46.3	Very low	64.3	Low	122 Å²	122	91.2 Å²	91.2	65%	0.652	49%	0.492	S	S	*	.			trans	-70.7	93.4	156.8	-91	9.7	0	0	0	106.8	K579 D583	K579-N581 PolarHBondContact O-N 2.68Å; N581-D583 VanDerWaalsContact C-N 3.33Å; N581-D583 PolarHBondContact O-N 2.8Å
582	S	55.4	Low	63	Low	78 Å²	78	94 Å²	94	55%	0.545	52%	0.515	S	S	.	.			trans	-86.7	84.9	160.7	47.7	0	0	0	0	107	Q580 K584	Q580-S582 VanDerWaalsContact C-N 3.27Å; Q580-S582 PolarHBondContact O-N 2.68Å; S582-K584 PolarHBondContact O-N 2.87Å; S582-K584 VanDerWaalsContact O-N 3.14Å
583	D	64.7	Low	61.9	Low	71 Å²	71	90 Å²	90	38%	0.38	50%	0.503	S	S	.	.			trans	-60.3	116.1	167.1	-78.3	-1.1	0	0	0	106.7	K561 A571 N581	K561-D583 IonicContact NZ-OD1 3.8Å; K561-D583 IonicContact NZ-OD2 2.9Å; K561-D583 PolarHBondContact NZ-OD2 2.8Å; A571-D583 WeakPolarHBondContact CB-OD1 3.37Å; N581-D583 VanDerWaalsContact C-N 3.33Å; N581-D583 PolarHBondContact O-N 2.8Å
584	K	77.3	Confident	61.3	Low	50 Å²	50	90 Å²	90	22%	0.217	51%	0.506	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	116.9	-175.5	-179	175.6	174.5	178.4	0	109.1	E397 Y401 E569 C570 S582 V586	E397-K584 IonicContact OE1-NZ 2.67Å; E397-K584 PolarHBondContact OE1-NZ 3.08Å; Y401-K584 WeakPolarHBondContact OH-CE 2.89Å; Y401-K584 PolarHBondContact OH-NZ 2.75Å; E569-K584 CarbonylContact C-O 3.6Å; E569-K584 VanDerWaalsContact CA-O 3.24Å; E569-K584 WeakPolarHBondContact CA-O 3.49Å; E569-K584 WeakPolarHBondContact CB-O 3.46Å; C570-K584 PolarHBondContact N-O 3.03Å; C570-K584 PolarHBondContact O-N 3.47Å; S582-K584 PolarHBondContact O-N 2.87Å; S582-K584 VanDerWaalsContact O-N 3.14Å; K584-V586 WeakPolarHBondContact O-CG2 3.48Å; K584-V586 PolarHBondContact O-N 2.85Å
585	H	70.2	Confident	61.5	Low	96 Å²	96	93.4 Å²	93.4	44%	0.444	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	118.3	168.2	-75.9	-90.6	0	0	0	109.3	Y567	Y567-H585 AromaticContact CD2-CE1 3.98Å; Y567-H585 AromaticContact CD2-ND1 3.99Å
586	V	73.6	Confident	62.6	Low	3 Å²	3	94 Å²	94	2%	0.018	51%	0.513	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-29.2	-178.4	-136.4	0	0	0	0	111	Y401 A404 I568 C570 K584	Y401-V586 HydrophobicContact CD1-CG1 3.37Å; Y401-V586 HydrophobicContact CD2-CG1 4.25Å; Y401-V586 HydrophobicContact CE1-CG1 3.5Å; Y401-V586 VanDerWaalsContact CE1-CG1 3.5Å; Y401-V586 HydrophobicContact CE2-CG1 4.37Å; Y401-V586 HydrophobicContact CG-CG1 3.77Å; A404-V586 HydrophobicContact CB-CB 3.86Å; A404-V586 HydrophobicContact CB-CG1 4.16Å; I568-V586 HydrophobicContact CG2-CB 4.19Å; I568-V586 HydrophobicContact CG2-CG2 4.24Å; I568-V586 PolarHBondContact O-N 2.79Å; C570-V586 HydrophobicContact CB-CG2 3.87Å; C570-V586 VanDerWaalsContact SG-CG2 3.57Å; K584-V586 WeakPolarHBondContact O-CG2 3.48Å; K584-V586 PolarHBondContact O-N 2.85Å
587	F	77.4	Confident	64.5	Low	8 Å²	8	86.9 Å²	86.9	4%	0.035	48%	0.479	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	143.6	177.4	151.2	-92.8	0	0	0	110.4	Y382 V385 A404 A411 Y567 I568 T589	Y382-F587 AromaticContact CD1-CD2 3.72Å; Y382-F587 HydrophobicContact CD1-CD2 3.72Å; Y382-F587 AromaticContact CD1-CE2 3.42Å; Y382-F587 HydrophobicContact CD1-CE2 3.42Å; Y382-F587 VanDerWaalsContact CD1-CE2 3.42Å; Y382-F587 AromaticContact CD2-CE2 3.77Å; Y382-F587 HydrophobicContact CD2-CE2 3.77Å; Y382-F587 HydrophobicContact CE1-CD2 4.08Å; Y382-F587 AromaticContact CE1-CE2 3.44Å; Y382-F587 HydrophobicContact CE1-CE2 3.44Å; Y382-F587 VanDerWaalsContact CE1-CE2 3.44Å; Y382-F587 HydrophobicContact CE1-CZ 4.42Å; Y382-F587 AromaticContact CE2-CE2 3.82Å; Y382-F587 HydrophobicContact CE2-CE2 3.82Å; Y382-F587 HydrophobicContact CE2-CZ 4.39Å; Y382-F587 AromaticContact CG-CD2 3.97Å; Y382-F587 HydrophobicContact CG-CD2 3.97Å; Y382-F587 AromaticContact CG-CE2 3.58Å; Y382-F587 HydrophobicContact CG-CE2 3.58Å; Y382-F587 AromaticContact CZ-CE2 3.66Å; V385-F587 HydrophobicContact CG2-CB 4.41Å; A404-F587 HydrophobicContact CB-CB 4.05Å; A411-F587 HydrophobicContact CB-CZ 4.19Å; Y567-F587 CarbonylContact C-O 3.53Å; Y567-F587 VanDerWaalsContact CA-O 3.28Å; Y567-F587 WeakPolarHBondContact CA-O 3.4Å; Y567-F587 WeakPolarHBondContact CB-O 3.4Å; I568-F587 HydrophobicContact CB-CD1 4.38Å; I568-F587 HydrophobicContact CG2-CB 3.79Å; I568-F587 HydrophobicContact CG2-CD1 4.03Å; I568-F587 HydrophobicContact CG2-CG 4.4Å; I568-F587 PolarHBondContact N-O 2.92Å; I568-F587 PolarHBondContact O-N 2.79Å; F587-T589 HydrophobicContact CE1-CG2 3.97Å; F587-T589 HydrophobicContact CE2-CG2 4.37Å; F587-T589 HydrophobicContact CZ-CG2 3.51Å
588	E	76.2	Confident	66.7	Low	135 Å²	135	81 Å²	81	63%	0.631	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.3	141	173.4	-175.2	177.2	-174.1	0	0	107.1	D566	D566-E588 CarbonylContact O-C 3.6Å; D566-E588 WeakPolarHBondContact O-CA 3.37Å
589	T	67.4	Low	68.9	Low	34 Å²	34	79 Å²	79	21%	0.209	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-73.3	147	-177.4	53.4	0	0	0	0	112.2	A411 D565 D566 F587	A411-T589 HydrophobicContact CB-CG2 3.58Å; D565-T589 WeakPolarHBondContact O-CG2 3.45Å; D565-T589 PolarHBondContact O-OG1 2.67Å; D566-T589 WeakPolarHBondContact CA-OG1 3.3Å; D566-T589 WeakPolarHBondContact O-CG2 3.16Å; D566-T589 PolarHBondContact O-N 2.89Å; D566-T589 PolarHBondContact O-OG1 3.03Å; D566-T589 VanDerWaalsContact O-OG1 3.07Å; F587-T589 HydrophobicContact CE1-CG2 3.97Å; F587-T589 HydrophobicContact CE2-CG2 4.37Å; F587-T589 HydrophobicContact CZ-CG2 3.51Å
590	L	74.6	Confident	71.4	Confident	97 Å²	97	69 Å²	69	51%	0.508	38%	0.381	S	S	.	.	P	Polyproline II helix	trans	-76.7	158.2	167	-61.3	171.9	0	0	0	110	E381 Y382 A592	E381-L590 HydrophobicContact CG-CD1 4.35Å; Y382-L590 HydrophobicContact CE1-CD1 4.15Å; Y382-L590 HydrophobicContact CE1-CG 3.8Å; Y382-L590 PolarHBondContact OH-N 3.47Å; L590-A592 PolarHBondContact O-N 2.81Å
591	T	65.3	Low	73.8	Confident	129 Å²	129	61.7 Å²	61.7	79%	0.791	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-54.1	133.2	178.6	50.1	0	0	0	0	112.3
592	A	61.9	Low	76	Confident	68 Å²	68	60.7 Å²	60.7	56%	0.562	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-60.2	146.7	175.7	0	0	0	0	0	112.5	L590	L590-A592 PolarHBondContact O-N 2.81Å
593	G	65.8	Low	77.8	Confident	18 Å²	18	57.3 Å²	57.3	19%	0.186	32%	0.317	C	S	.	.	P	Polyproline II helix	trans	-65.8	161.2	170.3	0	0	0	0	0	112.9	L600	G593-L600 WeakPolarHBondContact CA-O 3.32Å
594	S	72.1	Confident	79.2	Confident	62 Å²	62	54 Å²	54	43%	0.434	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-77.7	144.4	173	170.5	0	0	0	0	111.3	S596 F597 N599	S594-S596 PolarHBondContact O-N 2.89Å; S594-S596 PolarHBondContact OG-N 3.43Å; S594-F597 CarbonylContact O-C 3.55Å; S594-F597 WeakPolarHBondContact O-CA 3.42Å; S594-F597 PolarHBondContact O-N 2.8Å; S594-N599 WeakPolarHBondContact O-CA 3.31Å; S594-N599 PolarHBondContact O-N 3.42Å
595	E	77.2	Confident	80.1	Confident	130 Å²	130	51.9 Å²	51.9	61%	0.607	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-56.2	-34.9	175.3	-175.6	170.6	-165.9	0	0	112.1	F597 Y598 N599	E595-F597 PolarHBondContact O-N 3.22Å; E595-F597 VanDerWaalsContact O-N 3.11Å; E595-Y598 PolarHBondContact O-N 3.49Å; E595-Y598 VanDerWaalsContact O-N 3.08Å; E595-N599 VanDerWaalsContact CA-OD1 3.24Å; E595-N599 WeakPolarHBondContact CA-OD1 3.32Å; E595-N599 PolarHBondContact N-OD1 3.38Å
596	S	79.5	Confident	81.3	Confident	69 Å²	69	48.6 Å²	48.6	48%	0.483	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-61.7	-17.3	175	-52.2	0	0	0	0	113.4	P337 R338 S594	P337-S596 CarbonylContact C-O 3.58Å; P337-S596 VanDerWaalsContact CA-O 3.3Å; P337-S596 WeakPolarHBondContact CA-O 2.89Å; R338-S596 PolarHBondContact N-O 3.37Å; S594-S596 PolarHBondContact O-N 2.89Å; S594-S596 PolarHBondContact OG-N 3.43Å
597	F	84.4	Confident	82.4	Confident	62 Å²	62	48.5 Å²	48.5	27%	0.272	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-120.2	41	174.7	-55.4	-71.7	0	0	0	111.2	I335 P337 S594 E595 N599 L600	I335-F597 HydrophobicContact CG1-CB 4.48Å; I335-F597 HydrophobicContact CG1-CD1 4.06Å; I335-F597 VanDerWaalsContact O-CD1 3.28Å; I335-F597 WeakPolarHBondContact O-CD1 3.49Å; I335-F597 WeakPolarHBondContact O-CE1 3.21Å; P337-F597 HydrophobicContact CB-CE1 4.18Å; S594-F597 CarbonylContact O-C 3.55Å; S594-F597 WeakPolarHBondContact O-CA 3.42Å; S594-F597 PolarHBondContact O-N 2.8Å; E595-F597 PolarHBondContact O-N 3.22Å; E595-F597 VanDerWaalsContact O-N 3.11Å; F597-N599 PolarHBondContact O-N 2.97Å; F597-N599 VanDerWaalsContact O-N 3.08Å; F597-L600 WeakPolarHBondContact O-CB 3.46Å; F597-L600 VanDerWaalsContact O-CG 3.32Å; F597-L600 WeakPolarHBondContact O-CG 3.12Å; F597-L600 PolarHBondContact O-N 2.88Å; F597-L600 VanDerWaalsContact O-N 3.09Å
598	Y	87.2	Confident	83.3	Confident	14 Å²	14	48.1 Å²	48.1	6%	0.055	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.5	22	176.6	-49.9	-99.8	0	0	0	114.2	I335 R338 P369 E595 L600 M628	I335-Y598 HydrophobicContact CD1-CD2 4Å; I335-Y598 HydrophobicContact CD1-CE2 4.22Å; R338-Y598 HydrophobicContact CB-CD1 4.42Å; R338-Y598 HydrophobicContact CB-CD2 4.23Å; R338-Y598 HydrophobicContact CB-CE1 3.99Å; R338-Y598 HydrophobicContact CB-CE2 3.74Å; R338-Y598 HydrophobicContact CG-CD1 4.21Å; R338-Y598 HydrophobicContact CG-CE1 3.59Å; R338-Y598 HydrophobicContact CG-CE2 4.26Å; P369-Y598 HydrophobicContact CG-CD2 4.04Å; P369-Y598 HydrophobicContact CG-CE2 4.11Å; P369-Y598 HydrophobicContact CG-CG 4.34Å; E595-Y598 PolarHBondContact O-N 3.49Å; E595-Y598 VanDerWaalsContact O-N 3.08Å; Y598-L600 PolarHBondContact O-N 2.87Å; Y598-M628 HydrophobicContact CD1-CE 4.49Å; Y598-M628 HydrophobicContact CE1-CE 3.76Å
599	N	88.9	Confident	84.3	Confident	35 Å²	35	43.4 Å²	43.4	19%	0.187	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.5	24.4	-173.3	-56.5	-61.1	0	0	0	114	T415 R416 S594 E595 F597	T415-N599 PolarHBondContact O-ND2 3.15Å; T415-N599 VanDerWaalsContact O-ND2 3.16Å; R416-N599 HydrophobicContact CG-CB 3.92Å; S594-N599 WeakPolarHBondContact O-CA 3.31Å; S594-N599 PolarHBondContact O-N 3.42Å; E595-N599 VanDerWaalsContact CA-OD1 3.24Å; E595-N599 WeakPolarHBondContact CA-OD1 3.32Å; E595-N599 PolarHBondContact N-OD1 3.38Å; F597-N599 PolarHBondContact O-N 2.97Å; F597-N599 VanDerWaalsContact O-N 3.08Å
600	L	91.6	Very high	85.6	Confident	6 Å²	6	46 Å²	46	3%	0.031	27%	0.269	C	S	.	.			trans	-69.6	133.1	178.1	-61.7	-178.5	0	0	0	111.1	I335 P369 L370 G593 F597 Y598 A604 V605	I335-L600 HydrophobicContact CD1-CD1 3.7Å; P369-L600 HydrophobicContact CG-CD1 4.3Å; L370-L600 HydrophobicContact CD1-CD2 4.22Å; G593-L600 WeakPolarHBondContact CA-O 3.32Å; F597-L600 WeakPolarHBondContact O-CB 3.46Å; F597-L600 VanDerWaalsContact O-CG 3.32Å; F597-L600 WeakPolarHBondContact O-CG 3.12Å; F597-L600 PolarHBondContact O-N 2.88Å; F597-L600 VanDerWaalsContact O-N 3.09Å; Y598-L600 PolarHBondContact O-N 2.87Å; L600-A604 HydrophobicContact CB-CB 4.09Å; L600-A604 HydrophobicContact CD2-CB 4.05Å; L600-V605 HydrophobicContact CB-CG2 3.7Å; L600-V605 HydrophobicContact CD1-CG2 4.16Å
601	T	92	Very high	86.5	Confident	9 Å²	9	43.4 Å²	43.4	6%	0.055	25%	0.254	C	S	.	.			trans	-66.4	165.5	166.4	69.5	0	0	0	0	110.3	E381 T412 F603 A604 V605	E381-T601 WeakPolarHBondContact OE1-CB 3.46Å; E381-T601 WeakPolarHBondContact OE1-CG2 3.41Å; E381-T601 PolarHBondContact OE1-OG1 3.15Å; T412-T601 HydrophobicContact CG2-CG2 3.73Å; T601-F603 PolarHBondContact O-N 2.7Å; T601-F603 PolarHBondContact OG1-N 3.06Å; T601-A604 PolarHBondContact O-N 2.74Å; T601-A604 VanDerWaalsContact O-N 3.14Å; T601-A604 PolarHBondContact OG1-N 2.89Å; T601-A604 VanDerWaalsContact OG1-N 3.13Å; T601-V605 WeakPolarHBondContact O-CG2 3.23Å; T601-V605 PolarHBondContact O-N 2.83Å
602	L	92.3	Very high	87.9	Confident	101 Å²	101	46.4 Å²	46.4	53%	0.529	26%	0.256	S	S	.	.	H	α-helix	trans	-56.1	-39.2	174.3	177.5	60.5	0	0	0	111.6	V605 Q606	L602-V605 PolarHBondContact O-N 3.38Å; L602-Q606 VanDerWaalsContact O-CG 3.26Å; L602-Q606 WeakPolarHBondContact O-CG 3.46Å; L602-Q606 PolarHBondContact O-N 3.4Å; L602-Q606 VanDerWaalsContact O-N 3.1Å
603	F	94.3	Very high	89.5	Confident	7 Å²	7	44.4 Å²	44.4	3%	0.031	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-46.4	176.3	-177.2	-116.1	0	0	0	111.6	E378 E381 R433 M437 W439 T601 V605 Q606 L607	E378-F603 HydrophobicContact CG-CD1 4.24Å; E381-F603 HydrophobicContact CB-CB 4.49Å; E381-F603 HydrophobicContact CB-CD1 3.53Å; E381-F603 HydrophobicContact CB-CE1 3.94Å; E381-F603 HydrophobicContact CB-CG 4.19Å; E381-F603 HydrophobicContact CG-CB 3.87Å; E381-F603 HydrophobicContact CG-CD1 3.87Å; E381-F603 HydrophobicContact CG-CG 4.08Å; E381-F603 WeakPolarHBondContact OE1-CB 3.09Å; R433-F603 VanDerWaalsContact NH1-CE2 3.28Å; M437-F603 HydrophobicContact CE-CD2 3.73Å; M437-F603 HydrophobicContact CE-CE2 3.92Å; M437-F603 HydrophobicContact SD-CD2 4.16Å; M437-F603 HydrophobicContact SD-CE2 3.71Å; W439-F603 HydrophobicContact CH2-CE2 4.31Å; W439-F603 AromaticContact CH2-CZ 3.78Å; W439-F603 HydrophobicContact CH2-CZ 3.78Å; W439-F603 HydrophobicContact CZ2-CE2 4Å; W439-F603 AromaticContact CZ2-CZ 3.65Å; W439-F603 HydrophobicContact CZ2-CZ 3.65Å; T601-F603 PolarHBondContact O-N 2.7Å; T601-F603 PolarHBondContact OG1-N 3.06Å; F603-V605 VanDerWaalsContact C-N 3.31Å; F603-V605 PolarHBondContact O-N 2.84Å; F603-Q606 WeakPolarHBondContact O-CA 3.26Å; F603-Q606 WeakPolarHBondContact O-CB 3.36Å; F603-Q606 PolarHBondContact O-N 3.25Å; F603-L607 HydrophobicContact CE1-CD1 4.48Å; F603-L607 HydrophobicContact CE1-CD2 4.02Å; F603-L607 HydrophobicContact CE2-CD2 4.38Å; F603-L607 HydrophobicContact CZ-CD2 3.91Å; F603-L607 WeakPolarHBondContact O-CG 3.26Å; F603-L607 PolarHBondContact O-N 3.4Å; F603-L607 VanDerWaalsContact O-N 3.15Å
604	A	94.7	Very high	91	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-62.9	-37.1	178	0	0	0	0	0	112.5	L370 E378 L600 T601 Q606 L607	L370-A604 HydrophobicContact CD1-CB 4.37Å; E378-A604 HydrophobicContact CG-CB 4.49Å; L600-A604 HydrophobicContact CB-CB 4.09Å; L600-A604 HydrophobicContact CD2-CB 4.05Å; T601-A604 PolarHBondContact O-N 2.74Å; T601-A604 VanDerWaalsContact O-N 3.14Å; T601-A604 PolarHBondContact OG1-N 2.89Å; T601-A604 VanDerWaalsContact OG1-N 3.13Å; A604-Q606 VanDerWaalsContact C-N 3.29Å; A604-Q606 PolarHBondContact O-N 2.69Å; A604-L607 PolarHBondContact O-N 3.05Å
605	V	94.8	Very high	92.3	Very high	7 Å²	7	41.1 Å²	41.1	4%	0.042	22%	0.216	C	C	.	.	H	α-helix	trans	-56.6	-44.5	168.6	163.3	0	0	0	0	109.9	R332 I335 L600 T601 L602 F603 L607	R332-V605 HydrophobicContact CG-CG1 4.07Å; R332-V605 PolarHBondContact NE-O 3.29Å; R332-V605 PolarHBondContact NH2-O 3.21Å; I335-V605 HydrophobicContact CG2-CG1 4.2Å; L600-V605 HydrophobicContact CB-CG2 3.7Å; L600-V605 HydrophobicContact CD1-CG2 4.16Å; T601-V605 WeakPolarHBondContact O-CG2 3.23Å; T601-V605 PolarHBondContact O-N 2.83Å; L602-V605 PolarHBondContact O-N 3.38Å; F603-V605 VanDerWaalsContact C-N 3.31Å; F603-V605 PolarHBondContact O-N 2.84Å; V605-L607 VanDerWaalsContact C-N 3.32Å; V605-L607 PolarHBondContact O-N 3.4Å
606	Q	95.8	Very high	93.3	Very high	26 Å²	26	37.9 Å²	37.9	12%	0.121	21%	0.206	C	C	.	.	H	α-helix	trans	-69.6	-23.4	-178.5	-68	165.9	2	0	0	114.4	R331 R332 L602 F603 A604 N608 E609	R331-Q606 HydrophobicContact CB-CG 3.99Å; R332-Q606 VanDerWaalsContact O-CG 3.28Å; R332-Q606 WeakPolarHBondContact O-CG 3.39Å; R332-Q606 PolarHBondContact O-NE2 3.35Å; L602-Q606 VanDerWaalsContact O-CG 3.26Å; L602-Q606 WeakPolarHBondContact O-CG 3.46Å; L602-Q606 PolarHBondContact O-N 3.4Å; L602-Q606 VanDerWaalsContact O-N 3.1Å; F603-Q606 WeakPolarHBondContact O-CA 3.26Å; F603-Q606 WeakPolarHBondContact O-CB 3.36Å; F603-Q606 PolarHBondContact O-N 3.25Å; A604-Q606 VanDerWaalsContact C-N 3.29Å; A604-Q606 PolarHBondContact O-N 2.69Å; Q606-N608 PolarHBondContact O-N 3.15Å; Q606-E609 VanDerWaalsContact O-CB 3.25Å; Q606-E609 WeakPolarHBondContact O-CB 3.21Å; Q606-E609 PolarHBondContact O-N 2.93Å; Q606-E609 VanDerWaalsContact O-N 3.15Å
607	L	97.2	Very high	94.2	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-25.4	-176.2	-66.3	175.7	0	0	0	114	L370 Q374 T377 E378 Y429 F603 A604 V605	L370-L607 HydrophobicContact CD1-CD1 4.41Å; L370-L607 HydrophobicContact CD2-CB 4.27Å; Q374-L607 HydrophobicContact CB-CB 4.4Å; Q374-L607 HydrophobicContact CB-CD1 4.48Å; Q374-L607 PolarHBondContact NE2-O 2.8Å; Q374-L607 WeakPolarHBondContact O-CD1 3.31Å; T377-L607 HydrophobicContact CG2-CD2 4.01Å; E378-L607 HydrophobicContact CB-CD1 3.8Å; E378-L607 HydrophobicContact CG-CD1 4.11Å; Y429-L607 HydrophobicContact CE1-CD2 4.4Å; Y429-L607 WeakPolarHBondContact CE2-O 3.37Å; Y429-L607 WeakPolarHBondContact OH-CA 3.21Å; Y429-L607 VanDerWaalsContact OH-CD2 3.3Å; Y429-L607 WeakPolarHBondContact OH-CD2 3.41Å; Y429-L607 PolarHBondContact OH-O 3.21Å; F603-L607 HydrophobicContact CE1-CD1 4.48Å; F603-L607 HydrophobicContact CE1-CD2 4.02Å; F603-L607 HydrophobicContact CE2-CD2 4.38Å; F603-L607 HydrophobicContact CZ-CD2 3.91Å; F603-L607 WeakPolarHBondContact O-CG 3.26Å; F603-L607 PolarHBondContact O-N 3.4Å; F603-L607 VanDerWaalsContact O-N 3.15Å; A604-L607 PolarHBondContact O-N 3.05Å; V605-L607 VanDerWaalsContact C-N 3.32Å; V605-L607 PolarHBondContact O-N 3.4Å
608	N	96.6	Very high	94.8	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	13.9	179.9	-162	48.3	0	0	0	113.6	R332 P369 L370 Q374 Q606 Q625 R626 E629	R332-N608 VanDerWaalsContact CZ-C 3.42Å; R332-N608 PolarHBondContact NH1-O 3.48Å; R332-N608 VanDerWaalsContact NH2-C 3.27Å; P369-N608 PolarHBondContact O-ND2 2.79Å; L370-N608 HydrophobicContact CD2-CB 3.7Å; Q374-N608 PolarHBondContact NE2-OD1 3.08Å; Q374-N608 VanDerWaalsContact NE2-OD1 3.08Å; Q606-N608 PolarHBondContact O-N 3.15Å; N608-Q625 PolarHBondContact OD1-NE2 2.89Å; N608-R626 PolarHBondContact O-NH2 3.04Å; N608-E629 PolarHBondContact ND2-OE1 3.47Å; N608-E629 PolarHBondContact ND2-OE2 3.29Å
609	E	95.9	Very high	95.4	Very high	35 Å²	35	31 Å²	31	16%	0.164	17%	0.168	C	C	.	.	S	Bend	trans	-63	128.6	171.4	-174.5	171.6	-176	0	0	110.5	R332 Q606 E611 R620	R332-E609 HydrophobicContact CB-CG 4.34Å; R332-E609 HydrophobicContact CG-CB 3.95Å; R332-E609 HydrophobicContact CG-CG 4.02Å; R332-E609 PolarHBondContact N-OE1 3.37Å; R332-E609 PolarHBondContact N-OE2 3.29Å; Q606-E609 VanDerWaalsContact O-CB 3.25Å; Q606-E609 WeakPolarHBondContact O-CB 3.21Å; Q606-E609 PolarHBondContact O-N 2.93Å; Q606-E609 VanDerWaalsContact O-N 3.15Å; E609-E611 PolarHBondContact O-N 3.23Å; E609-R620 WeakPolarHBondContact O-CD 3.34Å
610	P	95.3	Very high	95.8	Very high	89 Å²	89	30.1 Å²	30.1	58%	0.578	16%	0.162	S	C	*	.			trans	-55.9	137.1	177.7	-26	34.6	0	0	0	112.7
611	E	94.5	Very high	96	Very high	43 Å²	43	33.5 Å²	33.5	20%	0.201	18%	0.18	C	C	.	.			trans	-130.3	137.4	-177.9	-173.7	74	-129.1	0	0	109.8	R329 E609 V614	R329-E611 IonicContact CZ-OE1 3.29Å; R329-E611 IonicContact CZ-OE2 3.82Å; R329-E611 IonicContact NH1-OE1 3.09Å; R329-E611 PolarHBondContact NH1-OE1 3.16Å; R329-E611 IonicContact NH1-OE2 3.53Å; R329-E611 PolarHBondContact NH1-OE2 3.04Å; R329-E611 IonicContact NH2-OE1 3.56Å; R329-E611 PolarHBondContact NH2-OE1 2.94Å; R329-E611 IonicContact NH2-OE2 3.76Å; R329-E611 PolarHBondContact NH2-OE2 2.98Å; E609-E611 PolarHBondContact O-N 3.23Å; E611-V614 HydrophobicContact CB-CG1 3.74Å; E611-V614 HydrophobicContact CG-CG1 3.5Å
612	K	94.3	Very high	96.3	Very high	192 Å²	192	33.4 Å²	33.4	84%	0.835	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.6	146.1	179.3	-63.5	-175.3	-179	-178.9	0	110.7	V614	K612-V614 VanDerWaalsContact C-N 3.26Å; K612-V614 PolarHBondContact O-N 3.04Å
613	G	95.7	Very high	96.5	Very high	25 Å²	25	30 Å²	30	26%	0.258	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.9	17.8	171.7	0	0	0	0	0	115.1	Q702 W704	G613-Q702 PolarHBondContact O-NE2 3.25Å; G613-W704 WeakPolarHBondContact O-CZ2 3.41Å
614	V	97.6	Very high	96.6	Very high	12 Å²	12	29.7 Å²	29.7	7%	0.073	16%	0.161	C	C	.	.			trans	-78.8	162	169.1	-61.3	0	0	0	0	110.2	E611 K612 D618 W704	E611-V614 HydrophobicContact CB-CG1 3.74Å; E611-V614 HydrophobicContact CG-CG1 3.5Å; K612-V614 VanDerWaalsContact C-N 3.26Å; K612-V614 PolarHBondContact O-N 3.04Å; V614-D618 HydrophobicContact CB-CB 4.07Å; V614-D618 HydrophobicContact CG2-CB 3.79Å; V614-W704 PolarHBondContact O-NE1 3.14Å
615	A	97.9	Very high	96.7	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.161	C	C	.	.			trans	-57.1	147	176.4	0	0	0	0	0	111.8	T617 D618 N621 Y695 W704	A615-T617 PolarHBondContact O-N 3.44Å; A615-T617 VanDerWaalsContact O-N 3.16Å; A615-D618 WeakPolarHBondContact O-CB 3.45Å; A615-D618 PolarHBondContact O-N 3.03Å; A615-N621 PolarHBondContact O-ND2 2.93Å; A615-N621 VanDerWaalsContact O-ND2 3.14Å; A615-Y695 HydrophobicContact CB-CE2 3.92Å; A615-Y695 PolarHBondContact N-OH 3.31Å; A615-W704 HydrophobicContact CB-CD2 4.11Å; A615-W704 HydrophobicContact CB-CE3 3.88Å; A615-W704 HydrophobicContact CB-CH2 4.13Å; A615-W704 HydrophobicContact CB-CZ2 4.36Å; A615-W704 HydrophobicContact CB-CZ3 3.9Å
616	P	98	Very high	96.7	Very high	62 Å²	62	31.7 Å²	31.7	40%	0.403	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-27.1	175.9	24.8	-34.1	0	0	0	112.2	D618 N621 W704 C707 Y711	P616-D618 PolarHBondContact O-N 2.82Å; P616-N621 PolarHBondContact O-ND2 3.15Å; P616-W704 HydrophobicContact CG-CB 4.1Å; P616-C707 HydrophobicContact CG-CB 3.62Å; P616-Y711 WeakPolarHBondContact O-CD2 3.37Å; P616-Y711 VanDerWaalsContact O-CE2 3.3Å; P616-Y711 WeakPolarHBondContact O-CE2 2.71Å
617	T	98	Very high	96.7	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	3.8	175.2	52.7	0	0	0	0	114.2	T428 A615 C707 P708 I710 Y711	T428-T617 WeakPolarHBondContact CG2-OG1 3.46Å; T428-T617 PolarHBondContact N-O 3.32Å; T428-T617 PolarHBondContact OG1-O 2.82Å; T428-T617 PolarHBondContact OG1-OG1 3.09Å; A615-T617 PolarHBondContact O-N 3.44Å; A615-T617 VanDerWaalsContact O-N 3.16Å; T617-C707 HydrophobicContact CG2-CB 4.07Å; T617-P708 HydrophobicContact CG2-CG 4.32Å; T617-P708 VanDerWaalsContact CG2-O 3.26Å; T617-P708 WeakPolarHBondContact CG2-O 3.36Å; T617-I710 HydrophobicContact CG2-CD1 3.77Å; T617-I710 HydrophobicContact CG2-CG1 3.98Å; T617-I710 HydrophobicContact CG2-CG2 4.39Å; T617-Y711 PolarHBondContact O-OH 3.04Å
618	D	98.5	Very high	96.6	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	17%	0.169	C	C	.	.	B	Isolated β-bridge	trans	-68.4	134.9	-178	-170.5	-79.7	0	0	0	112.4	T428 E430 V614 A615 P616 R620 N621 Y711	T428-D618 CarbonylContact O-C 3.6Å; T428-D618 WeakPolarHBondContact O-CA 3.48Å; T428-D618 PolarHBondContact OG1-N 3.15Å; E430-D618 PolarHBondContact N-OD2 3.42Å; V614-D618 HydrophobicContact CB-CB 4.07Å; V614-D618 HydrophobicContact CG2-CB 3.79Å; A615-D618 WeakPolarHBondContact O-CB 3.45Å; A615-D618 PolarHBondContact O-N 3.03Å; P616-D618 PolarHBondContact O-N 2.82Å; D618-R620 VanDerWaalsContact CG-NH2 3.28Å; D618-R620 PolarHBondContact O-N 3.18Å; D618-R620 WeakPolarHBondContact OD1-CB 3.28Å; D618-R620 IonicContact OD1-CZ 2.69Å; D618-R620 PolarHBondContact OD1-N 2.92Å; D618-R620 IonicContact OD1-NE 3.33Å; D618-R620 PolarHBondContact OD1-NE 2.73Å; D618-R620 IonicContact OD1-NH2 3.83Å; D618-R620 PolarHBondContact OD1-NH2 3.01Å; D618-R620 IonicContact OD2-CZ 3.9Å; D618-R620 IonicContact OD2-NE 2.93Å; D618-R620 IonicContact OD2-NH2 3.98Å; D618-R620 PolarHBondContact OD2-NH2 3.26Å; D618-N621 WeakPolarHBondContact O-CB 3.19Å; D618-N621 PolarHBondContact O-N 2.87Å; D618-Y711 WeakPolarHBondContact O-CE2 3.39Å; D618-Y711 PolarHBondContact O-OH 3.33Å; D618-Y711 VanDerWaalsContact O-OH 3.1Å
619	S	98.4	Very high	96.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	-50	-27.8	-178.8	-61.9	0	0	0	0	114.4	S371 E427 T428 N621 R622 Y711	S371-S619 PolarHBondContact OG-OG 2.89Å; E427-S619 WeakPolarHBondContact OE1-CB 3.35Å; E427-S619 PolarHBondContact OE1-OG 2.84Å; T428-S619 PolarHBondContact O-N 2.89Å; T428-S619 PolarHBondContact O-OG 3.34Å; S619-N621 VanDerWaalsContact C-N 3.27Å; S619-N621 PolarHBondContact O-N 3.18Å; S619-R622 WeakPolarHBondContact O-CB 3.43Å; S619-R622 PolarHBondContact O-N 2.95Å; S619-Y711 WeakPolarHBondContact CA-OH 3.05Å
620	R	97.7	Very high	96.4	Very high	16 Å²	16	34.4 Å²	34.4	6%	0.06	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-71	-21.1	177.9	-71.9	165.9	-72.7	-155.9	-7.9	114	Y429 E430 E609 D618 R622 R626	Y429-R620 HydrophobicContact CE2-CG 4.44Å; E430-R620 PolarHBondContact O-NH1 3.2Å; E430-R620 PolarHBondContact O-NH2 2.86Å; E609-R620 WeakPolarHBondContact O-CD 3.34Å; D618-R620 VanDerWaalsContact CG-NH2 3.28Å; D618-R620 PolarHBondContact O-N 3.18Å; D618-R620 WeakPolarHBondContact OD1-CB 3.28Å; D618-R620 IonicContact OD1-CZ 2.69Å; D618-R620 PolarHBondContact OD1-N 2.92Å; D618-R620 IonicContact OD1-NE 3.33Å; D618-R620 PolarHBondContact OD1-NE 2.73Å; D618-R620 IonicContact OD1-NH2 3.83Å; D618-R620 PolarHBondContact OD1-NH2 3.01Å; D618-R620 IonicContact OD2-CZ 3.9Å; D618-R620 IonicContact OD2-NE 2.93Å; D618-R620 IonicContact OD2-NH2 3.98Å; D618-R620 PolarHBondContact OD2-NH2 3.26Å; R620-R622 VanDerWaalsContact C-N 3.32Å; R620-R626 PolarHBondContact O-NH2 3Å
621	N	97.4	Very high	96.2	Very high	77 Å²	77	31.2 Å²	31.2	41%	0.412	17%	0.165	S	C	.	.	G	3₁₀ helix	trans	-87.7	-4.6	178	-60.5	-29	0	0	0	112.3	A615 P616 D618 S619 P623 Y711	A615-N621 PolarHBondContact O-ND2 2.93Å; A615-N621 VanDerWaalsContact O-ND2 3.14Å; P616-N621 PolarHBondContact O-ND2 3.15Å; D618-N621 WeakPolarHBondContact O-CB 3.19Å; D618-N621 PolarHBondContact O-N 2.87Å; S619-N621 VanDerWaalsContact C-N 3.27Å; S619-N621 PolarHBondContact O-N 3.18Å; N621-P623 WeakPolarHBondContact O-CD 3.25Å; N621-Y711 HydrophobicContact CB-CD2 4.19Å; N621-Y711 HydrophobicContact CB-CE2 3.89Å
622	R	97.1	Very high	96.1	Very high	7 Å²	7	33.2 Å²	33.2	3%	0.026	17%	0.173	C	C	.	.			trans	-66.7	117.5	178.9	179.4	167.1	177.4	160.6	0.7	111.1	N422 E427 S619 R620 D624 Q625 R626 L643 Y711	N422-R622 PolarHBondContact O-NH1 3.33Å; E427-R622 IonicContact OE2-NH1 3.66Å; E427-R622 PolarHBondContact OE2-NH1 3.28Å; S619-R622 WeakPolarHBondContact O-CB 3.43Å; S619-R622 PolarHBondContact O-N 2.95Å; R620-R622 VanDerWaalsContact C-N 3.32Å; R622-D624 WeakPolarHBondContact CD-OD1 3.47Å; R622-D624 WeakPolarHBondContact CG-OD1 3.4Å; R622-D624 IonicContact CZ-OD1 2.8Å; R622-D624 IonicContact CZ-OD2 2.68Å; R622-D624 IonicContact NE-OD1 2.68Å; R622-D624 PolarHBondContact NE-OD1 3.48Å; R622-D624 IonicContact NE-OD2 3.1Å; R622-D624 PolarHBondContact NE-OD2 3.46Å; R622-D624 IonicContact NH2-OD1 3.16Å; R622-D624 IonicContact NH2-OD2 3.87Å; R622-D624 PolarHBondContact NH2-OD2 2.93Å; R622-Q625 HydrophobicContact CB-CB 4.16Å; R622-Q625 HydrophobicContact CG-CB 3.96Å; R622-R626 PolarHBondContact O-N 3.09Å; R622-R626 VanDerWaalsContact O-N 3.08Å; R622-L643 HydrophobicContact CG-CD1 4.44Å; R622-Y711 HydrophobicContact CB-CD1 4.32Å; R622-Y711 HydrophobicContact CB-CE1 3.62Å; R622-Y711 HydrophobicContact CB-CE2 4.41Å; R622-Y711 HydrophobicContact CG-CD1 4.34Å; R622-Y711 HydrophobicContact CG-CE1 3.81Å
623	P	96.9	Very high	95.9	Very high	30 Å²	30	24.6 Å²	24.6	20%	0.195	14%	0.135	C	C	.	.	H	α-helix	trans	-70.4	-43.4	-168	24.3	-33	0	0	0	114.3	N621 Q625 R626 L627 E639 L643	N621-P623 WeakPolarHBondContact O-CD 3.25Å; P623-Q625 PolarHBondContact O-N 3.44Å; P623-R626 PolarHBondContact O-N 2.99Å; P623-L627 WeakPolarHBondContact O-CB 3.3Å; P623-L627 WeakPolarHBondContact O-CG 3.46Å; P623-L627 PolarHBondContact O-N 3.2Å; P623-E639 HydrophobicContact CB-CG 4.41Å; P623-E639 WeakPolarHBondContact CB-OE2 3.28Å; P623-E639 VanDerWaalsContact CG-OE2 3.28Å; P623-E639 WeakPolarHBondContact CG-OE2 3.34Å; P623-L643 HydrophobicContact CG-CD1 4.06Å
624	D	96	Very high	95.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-60.7	-42.3	176.8	59	-26.2	0	0	0	112.1	F421 R622 M628 A636 E639 K640 L643	F421-D624 HydrophobicContact CE1-CB 4.36Å; F421-D624 WeakPolarHBondContact CE1-OD2 3.45Å; R622-D624 WeakPolarHBondContact CD-OD1 3.47Å; R622-D624 WeakPolarHBondContact CG-OD1 3.4Å; R622-D624 IonicContact CZ-OD1 2.8Å; R622-D624 IonicContact CZ-OD2 2.68Å; R622-D624 IonicContact NE-OD1 2.68Å; R622-D624 PolarHBondContact NE-OD1 3.48Å; R622-D624 IonicContact NE-OD2 3.1Å; R622-D624 PolarHBondContact NE-OD2 3.46Å; R622-D624 IonicContact NH2-OD1 3.16Å; R622-D624 IonicContact NH2-OD2 3.87Å; R622-D624 PolarHBondContact NH2-OD2 2.93Å; D624-M628 WeakPolarHBondContact O-CB 3.28Å; D624-M628 PolarHBondContact O-N 2.85Å; D624-A636 WeakPolarHBondContact CB-O 3.39Å; D624-A636 WeakPolarHBondContact O-CB 3.25Å; D624-E639 HydrophobicContact CB-CB 3.97Å; D624-K640 HydrophobicContact CB-CB 3.93Å; D624-L643 HydrophobicContact CB-CD1 4.26Å; D624-L643 WeakPolarHBondContact OD1-CD1 3.27Å
625	Q	96.1	Very high	95.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-63.6	-41.7	174.4	-179.1	177.6	-52.9	0	0	112.2	F421 N608 R622 P623 M628 E629	F421-Q625 HydrophobicContact CD2-CB 4.21Å; F421-Q625 HydrophobicContact CD2-CG 4.11Å; F421-Q625 HydrophobicContact CE2-CB 4.18Å; F421-Q625 HydrophobicContact CE2-CG 4.2Å; F421-Q625 HydrophobicContact CG-CB 4.46Å; F421-Q625 HydrophobicContact CZ-CB 4.41Å; N608-Q625 PolarHBondContact OD1-NE2 2.89Å; R622-Q625 HydrophobicContact CB-CB 4.16Å; R622-Q625 HydrophobicContact CG-CB 3.96Å; P623-Q625 PolarHBondContact O-N 3.44Å; Q625-M628 PolarHBondContact O-N 3.37Å; Q625-E629 PolarHBondContact O-N 2.8Å
626	R	96.2	Very high	95.3	Very high	49 Å²	49	33.3 Å²	33.3	19%	0.185	17%	0.173	C	C	.	.	H	α-helix	trans	-65.2	-49.3	179.2	178.3	57.3	58.1	-162.1	-6.6	111.7	N608 R620 R622 P623 M628 E629 E630	N608-R626 PolarHBondContact O-NH2 3.04Å; R620-R626 PolarHBondContact O-NH2 3Å; R622-R626 PolarHBondContact O-N 3.09Å; R622-R626 VanDerWaalsContact O-N 3.08Å; P623-R626 PolarHBondContact O-N 2.99Å; R626-M628 VanDerWaalsContact C-N 3.26Å; R626-M628 PolarHBondContact O-N 2.99Å; R626-E629 IonicContact CZ-OE2 2.81Å; R626-E629 IonicContact NH1-OE2 2.75Å; R626-E629 PolarHBondContact NH1-OE2 2.8Å; R626-E629 PolarHBondContact O-N 3.11Å; R626-E629 VanDerWaalsContact O-N 3.15Å; R626-E630 WeakPolarHBondContact CD-OE1 3.42Å; R626-E630 WeakPolarHBondContact O-CG 3.32Å; R626-E630 PolarHBondContact O-N 2.81Å
627	L	96.2	Very high	94.8	Very high	27 Å²	27	32.4 Å²	32.4	14%	0.141	16%	0.164	C	C	.	.	H	α-helix	trans	-59.9	-39	177.6	-71.2	165.8	0	0	0	111.4	P623 E630 G631 K632 E635 A636 E639	P623-L627 WeakPolarHBondContact O-CB 3.3Å; P623-L627 WeakPolarHBondContact O-CG 3.46Å; P623-L627 PolarHBondContact O-N 3.2Å; L627-E630 PolarHBondContact O-N 3.15Å; L627-G631 PolarHBondContact O-N 3.12Å; L627-K632 HydrophobicContact CB-CB 4.36Å; L627-K632 HydrophobicContact CD2-CB 4.3Å; L627-K632 HydrophobicContact CD2-CD 3.65Å; L627-K632 PolarHBondContact O-N 2.94Å; L627-E635 HydrophobicContact CD1-CB 3.97Å; L627-E635 HydrophobicContact CD2-CB 4.24Å; L627-A636 HydrophobicContact CB-CB 3.79Å; L627-E639 HydrophobicContact CD1-CB 4.15Å; L627-E639 HydrophobicContact CD1-CG 3.66Å
628	M	93.3	Very high	94.6	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-64.3	-43.2	175.1	-173.6	-167.8	157.4	0	0	112.4	V364 N367 F421 Y598 D624 Q625 R626 E630 G631 F633 A636	V364-M628 HydrophobicContact CB-SD 4.16Å; V364-M628 WeakPolarHBondContact O-CE 3.21Å; N367-M628 HydrophobicContact CB-CE 3.85Å; N367-M628 HydrophobicContact CB-SD 3.8Å; N367-M628 WeakPolarHBondContact O-CE 3.34Å; F421-M628 HydrophobicContact CE2-CB 4.48Å; F421-M628 HydrophobicContact CE2-SD 3.34Å; F421-M628 WeakPolarHBondContact CE2-SD 3.32Å; F421-M628 HydrophobicContact CZ-CB 4.14Å; F421-M628 HydrophobicContact CZ-CG 4.42Å; F421-M628 HydrophobicContact CZ-SD 3.44Å; F421-M628 WeakPolarHBondContact CZ-SD 3.3Å; Y598-M628 HydrophobicContact CD1-CE 4.49Å; Y598-M628 HydrophobicContact CE1-CE 3.76Å; D624-M628 WeakPolarHBondContact O-CB 3.28Å; D624-M628 PolarHBondContact O-N 2.85Å; Q625-M628 PolarHBondContact O-N 3.37Å; R626-M628 VanDerWaalsContact C-N 3.26Å; R626-M628 PolarHBondContact O-N 2.99Å; M628-E630 PolarHBondContact O-N 3.43Å; M628-G631 PolarHBondContact O-N 3.32Å; M628-F633 HydrophobicContact CE-CE1 4.49Å; M628-F633 HydrophobicContact CG-CD1 3.87Å; M628-F633 HydrophobicContact CG-CE1 3.59Å; M628-F633 WeakPolarHBondContact O-CE1 3.44Å; M628-A636 HydrophobicContact CB-CB 4.02Å
629	E	94.1	Very high	94.5	Very high	5 Å²	5	41.4 Å²	41.4	2%	0.023	21%	0.206	C	C	.	.	H	α-helix	trans	-61.6	-33.6	175.5	-168.9	176.1	-104.6	0	0	111.9	R332 I335 P369 N608 Q625 R626 G631	R332-E629 IonicContact CZ-OE1 2.84Å; R332-E629 IonicContact CZ-OE2 3.96Å; R332-E629 IonicContact NH1-OE1 3.14Å; R332-E629 PolarHBondContact NH1-OE1 2.9Å; R332-E629 IonicContact NH1-OE2 2.87Å; R332-E629 PolarHBondContact NH1-OE2 3.35Å; R332-E629 IonicContact NH2-OE1 3.72Å; R332-E629 PolarHBondContact NH2-OE1 3.41Å; R332-E629 IonicContact NH2-OE2 3.18Å; I335-E629 HydrophobicContact CB-CG 4.29Å; I335-E629 HydrophobicContact CD1-CG 4.33Å; I335-E629 HydrophobicContact CG2-CG 4.22Å; P369-E629 HydrophobicContact CB-CB 3.77Å; P369-E629 HydrophobicContact CB-CG 4.11Å; P369-E629 HydrophobicContact CG-CG 4.42Å; N608-E629 PolarHBondContact ND2-OE1 3.47Å; N608-E629 PolarHBondContact ND2-OE2 3.29Å; Q625-E629 PolarHBondContact O-N 2.8Å; R626-E629 IonicContact CZ-OE2 2.81Å; R626-E629 IonicContact NH1-OE2 2.75Å; R626-E629 PolarHBondContact NH1-OE2 2.8Å; R626-E629 PolarHBondContact O-N 3.11Å; R626-E629 VanDerWaalsContact O-N 3.15Å; E629-G631 PolarHBondContact O-N 2.7Å
630	E	94.3	Very high	94.1	Very high	87 Å²	87	42.4 Å²	42.4	41%	0.407	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-4.7	175.9	-68.9	175.6	-168.9	0	0	113.7	R626 L627 M628 K632	R626-E630 WeakPolarHBondContact CD-OE1 3.42Å; R626-E630 WeakPolarHBondContact O-CG 3.32Å; R626-E630 PolarHBondContact O-N 2.81Å; L627-E630 PolarHBondContact O-N 3.15Å; M628-E630 PolarHBondContact O-N 3.43Å; E630-K632 HydrophobicContact CB-CD 4.37Å; E630-K632 IonicContact OE2-NZ 3.8Å; E630-K632 PolarHBondContact OE2-NZ 3.39Å
631	G	91.1	Very high	93.8	Very high	23 Å²	23	44.9 Å²	44.9	24%	0.237	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	8.3	-179.1	0	0	0	0	0	114.9	L627 M628 E629 F633	L627-G631 PolarHBondContact O-N 3.12Å; M628-G631 PolarHBondContact O-N 3.32Å; E629-G631 PolarHBondContact O-N 2.7Å; G631-F633 PolarHBondContact O-N 3.49Å
632	K	93.2	Very high	93.7	Very high	84 Å²	84	45.6 Å²	45.6	37%	0.365	22%	0.224	S	C	.	.			trans	-88.9	71.5	178.4	-63.4	166.9	177.6	164.7	0	110.6	L627 E630 D634 E635 A636	L627-K632 HydrophobicContact CB-CB 4.36Å; L627-K632 HydrophobicContact CD2-CB 4.3Å; L627-K632 HydrophobicContact CD2-CD 3.65Å; L627-K632 PolarHBondContact O-N 2.94Å; E630-K632 HydrophobicContact CB-CD 4.37Å; E630-K632 IonicContact OE2-NZ 3.8Å; E630-K632 PolarHBondContact OE2-NZ 3.39Å; K632-D634 PolarHBondContact O-N 3.1Å; K632-E635 HydrophobicContact CB-CB 4.28Å; K632-E635 WeakPolarHBondContact CD-OE1 3.45Å; K632-E635 WeakPolarHBondContact CG-OE1 3.4Å; K632-A636 VanDerWaalsContact O-CB 3.27Å; K632-A636 WeakPolarHBondContact O-CB 3.49Å; K632-A636 PolarHBondContact O-N 2.85Å
633	F	89.8	Confident	93.5	Very high	11 Å²	11	45.2 Å²	45.2	5%	0.048	22%	0.223	C	C	.	.	H	α-helix	trans	-67.5	-34.3	-171.3	-69.5	-15.6	0	0	0	114.7	R338 P339 V341 V364 N365 M628 G631 A636 N637	R338-F633 HydrophobicContact CG-CZ 4.37Å; P339-F633 HydrophobicContact CB-CE2 4.13Å; P339-F633 HydrophobicContact CG-CE2 4.11Å; P339-F633 HydrophobicContact CG-CZ 4.11Å; V341-F633 HydrophobicContact CG2-CD2 4.28Å; V341-F633 HydrophobicContact CG2-CE2 4.45Å; V364-F633 HydrophobicContact CG2-CB 4.32Å; V364-F633 HydrophobicContact CG2-CD1 4.48Å; N365-F633 WeakPolarHBondContact ND2-CD2 3.31Å; M628-F633 HydrophobicContact CE-CE1 4.49Å; M628-F633 HydrophobicContact CG-CD1 3.87Å; M628-F633 HydrophobicContact CG-CE1 3.59Å; M628-F633 WeakPolarHBondContact O-CE1 3.44Å; G631-F633 PolarHBondContact O-N 3.49Å; F633-A636 PolarHBondContact O-N 3.13Å; F633-N637 PolarHBondContact O-N 2.91Å; F633-N637 PolarHBondContact O-ND2 3.27Å
634	D	89.9	Confident	93.1	Very high	127 Å²	127	46.2 Å²	46.2	68%	0.679	23%	0.225	S	C	*	.	H	α-helix	trans	-68	-50.8	179.6	-61.7	-28.6	0	0	0	110.5	K632 A636 N637 E638	K632-D634 PolarHBondContact O-N 3.1Å; D634-A636 VanDerWaalsContact C-N 3.27Å; D634-A636 PolarHBondContact O-N 3.14Å; D634-N637 WeakPolarHBondContact O-CB 3.26Å; D634-N637 PolarHBondContact O-N 3.11Å; D634-E638 PolarHBondContact O-N 2.7Å
635	E	94.7	Very high	92.8	Very high	94 Å²	94	51.6 Å²	51.6	44%	0.439	25%	0.25	S	S	.	.	H	α-helix	trans	-58	-39	173.7	-61.4	172.8	-113.8	0	0	111.7	L627 K632 E638 E639	L627-E635 HydrophobicContact CD1-CB 3.97Å; L627-E635 HydrophobicContact CD2-CB 4.24Å; K632-E635 HydrophobicContact CB-CB 4.28Å; K632-E635 WeakPolarHBondContact CD-OE1 3.45Å; K632-E635 WeakPolarHBondContact CG-OE1 3.4Å; E635-E638 PolarHBondContact O-N 3.47Å; E635-E639 PolarHBondContact O-N 2.96Å
636	A	93.3	Very high	92.7	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-65.6	-36.6	176.2	0	0	0	0	0	112.9	V364 D624 L627 M628 K632 F633 D634 K640	V364-A636 HydrophobicContact CG2-CB 4.06Å; D624-A636 WeakPolarHBondContact CB-O 3.39Å; D624-A636 WeakPolarHBondContact O-CB 3.25Å; L627-A636 HydrophobicContact CB-CB 3.79Å; M628-A636 HydrophobicContact CB-CB 4.02Å; K632-A636 VanDerWaalsContact O-CB 3.27Å; K632-A636 WeakPolarHBondContact O-CB 3.49Å; K632-A636 PolarHBondContact O-N 2.85Å; F633-A636 PolarHBondContact O-N 3.13Å; D634-A636 VanDerWaalsContact C-N 3.27Å; D634-A636 PolarHBondContact O-N 3.14Å; A636-K640 WeakPolarHBondContact O-CB 3.43Å; A636-K640 PolarHBondContact O-N 3.25Å
637	N	89.5	Confident	92.4	Very high	42 Å²	42	54.1 Å²	54.1	23%	0.225	26%	0.263	C	S	.	.	H	α-helix	trans	-67.5	-41.3	174.8	-77.7	-51.3	0	0	0	111.1	V364 F633 D634 K640 V641	V364-N637 WeakPolarHBondContact CG1-OD1 3.5Å; V364-N637 VanDerWaalsContact CG2-OD1 3.3Å; V364-N637 WeakPolarHBondContact CG2-OD1 3.45Å; V364-N637 PolarHBondContact N-OD1 3.08Å; F633-N637 PolarHBondContact O-N 2.91Å; F633-N637 PolarHBondContact O-ND2 3.27Å; D634-N637 WeakPolarHBondContact O-CB 3.26Å; D634-N637 PolarHBondContact O-N 3.11Å; N637-K640 WeakPolarHBondContact O-CB 3.28Å; N637-K640 PolarHBondContact O-N 2.86Å; N637-V641 WeakPolarHBondContact O-CG2 3.42Å; N637-V641 PolarHBondContact O-N 2.97Å; N637-V641 VanDerWaalsContact O-N 3.07Å
638	E	92.7	Very high	92	Very high	140 Å²	140	59.6 Å²	59.6	65%	0.654	28%	0.282	S	S	*	.	H	α-helix	trans	-61.6	-50	176	-68.9	176.1	-175.6	0	0	111.6	D634 E635 K640 V641 R642	D634-E638 PolarHBondContact O-N 2.7Å; E635-E638 PolarHBondContact O-N 3.47Å; E638-K640 VanDerWaalsContact C-N 3.28Å; E638-K640 PolarHBondContact O-N 3.09Å; E638-V641 PolarHBondContact O-N 3.41Å; E638-V641 VanDerWaalsContact O-N 3.14Å; E638-R642 PolarHBondContact O-N 3.48Å
639	E	95.5	Very high	91.8	Very high	50 Å²	50	62.6 Å²	62.6	23%	0.234	31%	0.306	C	S	.	.	H	α-helix	trans	-62.9	-35.6	177.6	-83	-64.4	112	0	0	112.4	P623 D624 L627 E635 R642 L643	P623-E639 HydrophobicContact CB-CG 4.41Å; P623-E639 WeakPolarHBondContact CB-OE2 3.28Å; P623-E639 VanDerWaalsContact CG-OE2 3.28Å; P623-E639 WeakPolarHBondContact CG-OE2 3.34Å; D624-E639 HydrophobicContact CB-CB 3.97Å; L627-E639 HydrophobicContact CD1-CB 4.15Å; L627-E639 HydrophobicContact CD1-CG 3.66Å; E635-E639 PolarHBondContact O-N 2.96Å; E639-R642 PolarHBondContact O-N 2.84Å; E639-R642 IonicContact OE1-CZ 3.47Å; E639-R642 IonicContact OE1-NE 2.73Å; E639-R642 PolarHBondContact OE1-NE 3.03Å; E639-R642 IonicContact OE1-NH2 3.71Å; E639-R642 IonicContact OE2-CZ 2.72Å; E639-R642 IonicContact OE2-NE 3.67Å; E639-R642 PolarHBondContact OE2-NE 3.04Å; E639-R642 VanDerWaalsContact OE2-NE 3.12Å; E639-R642 IonicContact OE2-NH2 2.65Å; E639-R642 PolarHBondContact OE2-NH2 2.76Å; E639-L643 WeakPolarHBondContact O-CB 3.48Å; E639-L643 VanDerWaalsContact O-CG 3.29Å; E639-L643 WeakPolarHBondContact O-CG 3.35Å; E639-L643 PolarHBondContact O-N 2.91Å
640	K	91.5	Very high	91.6	Very high	22 Å²	22	65.3 Å²	65.3	10%	0.096	32%	0.319	C	S	.	.	H	α-helix	trans	-61.7	-44.7	174.5	176.6	179.8	170.4	-177.2	0	111.3	M362 V364 D624 A636 N637 E638 L643 E644	M362-K640 PolarHBondContact O-NZ 3.08Å; V364-K640 HydrophobicContact CG1-CB 4.34Å; V364-K640 HydrophobicContact CG1-CD 3.63Å; D624-K640 HydrophobicContact CB-CB 3.93Å; A636-K640 WeakPolarHBondContact O-CB 3.43Å; A636-K640 PolarHBondContact O-N 3.25Å; N637-K640 WeakPolarHBondContact O-CB 3.28Å; N637-K640 PolarHBondContact O-N 2.86Å; E638-K640 VanDerWaalsContact C-N 3.28Å; E638-K640 PolarHBondContact O-N 3.09Å; K640-L643 PolarHBondContact O-N 3.11Å; K640-E644 WeakPolarHBondContact CE-OE1 3.28Å; K640-E644 HydrophobicContact CG-CG 4.47Å; K640-E644 IonicContact NZ-OE1 3.99Å; K640-E644 WeakPolarHBondContact O-CB 3.42Å; K640-E644 WeakPolarHBondContact O-CG 3.03Å; K640-E644 PolarHBondContact O-N 3.23Å
641	V	90.1	Very high	91.1	Very high	68 Å²	68	64.8 Å²	64.8	41%	0.412	31%	0.313	S	S	.	.	H	α-helix	trans	-61.5	-48.1	177	171.5	0	0	0	0	110.2	N637 E638 L643 E644 E645	N637-V641 WeakPolarHBondContact O-CG2 3.42Å; N637-V641 PolarHBondContact O-N 2.97Å; N637-V641 VanDerWaalsContact O-N 3.07Å; E638-V641 PolarHBondContact O-N 3.41Å; E638-V641 VanDerWaalsContact O-N 3.14Å; V641-L643 VanDerWaalsContact C-N 3.32Å; V641-L643 PolarHBondContact O-N 2.8Å; V641-E644 PolarHBondContact O-N 3.09Å; V641-E645 HydrophobicContact CG1-CG 4.29Å; V641-E645 WeakPolarHBondContact O-CB 3.45Å; V641-E645 WeakPolarHBondContact O-CG 3.32Å; V641-E645 PolarHBondContact O-N 3.08Å
642	R	95.4	Very high	91	Very high	91 Å²	91	70 Å²	70	34%	0.343	33%	0.329	S	S	.	.	H	α-helix	trans	-54.5	-46.4	177.1	-173.5	-171.2	65.8	72.9	4.4	112.2	E638 E639 E645 K646 Y711	E638-R642 PolarHBondContact O-N 3.48Å; E639-R642 PolarHBondContact O-N 2.84Å; E639-R642 IonicContact OE1-CZ 3.47Å; E639-R642 IonicContact OE1-NE 2.73Å; E639-R642 PolarHBondContact OE1-NE 3.03Å; E639-R642 IonicContact OE1-NH2 3.71Å; E639-R642 IonicContact OE2-CZ 2.72Å; E639-R642 IonicContact OE2-NE 3.67Å; E639-R642 PolarHBondContact OE2-NE 3.04Å; E639-R642 VanDerWaalsContact OE2-NE 3.12Å; E639-R642 IonicContact OE2-NH2 2.65Å; E639-R642 PolarHBondContact OE2-NH2 2.76Å; R642-E645 PolarHBondContact O-N 2.98Å; R642-K646 WeakPolarHBondContact O-CB 3.48Å; R642-K646 PolarHBondContact O-N 3.5Å; R642-Y711 PolarHBondContact NH1-OXT 3.1Å; R642-Y711 PolarHBondContact NH2-OXT 3.02Å
643	L	94.1	Very high	90.8	Very high	0 Å²	0	72 Å²	72	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-65.6	-43.7	178.1	-72.6	173.5	0	0	0	112.5	L424 R622 P623 D624 E639 K640 V641 E645 K646 Q647 Y711	L424-L643 HydrophobicContact CD1-CD1 4.48Å; L424-L643 HydrophobicContact CD1-CD2 4.12Å; R622-L643 HydrophobicContact CG-CD1 4.44Å; P623-L643 HydrophobicContact CG-CD1 4.06Å; D624-L643 HydrophobicContact CB-CD1 4.26Å; D624-L643 WeakPolarHBondContact OD1-CD1 3.27Å; E639-L643 WeakPolarHBondContact O-CB 3.48Å; E639-L643 VanDerWaalsContact O-CG 3.29Å; E639-L643 WeakPolarHBondContact O-CG 3.35Å; E639-L643 PolarHBondContact O-N 2.91Å; K640-L643 PolarHBondContact O-N 3.11Å; V641-L643 VanDerWaalsContact C-N 3.32Å; V641-L643 PolarHBondContact O-N 2.8Å; L643-E645 VanDerWaalsContact C-N 3.34Å; L643-K646 PolarHBondContact O-N 3.22Å; L643-Q647 WeakPolarHBondContact O-CG 3.34Å; L643-Q647 PolarHBondContact O-N 3.48Å; L643-Y711 HydrophobicContact CD2-CD1 4.22Å; L643-Y711 WeakPolarHBondContact CD2-OXT 3.41Å
644	E	87.6	Confident	90.6	Very high	51 Å²	51	73.3 Å²	73.3	24%	0.238	34%	0.341	C	S	.	.	H	α-helix	trans	-63.7	-40	177.3	-75.4	-174.1	-171.6	0	0	111.7	K640 V641 Q647 R648	K640-E644 WeakPolarHBondContact CE-OE1 3.28Å; K640-E644 HydrophobicContact CG-CG 4.47Å; K640-E644 IonicContact NZ-OE1 3.99Å; K640-E644 WeakPolarHBondContact O-CB 3.42Å; K640-E644 WeakPolarHBondContact O-CG 3.03Å; K640-E644 PolarHBondContact O-N 3.23Å; V641-E644 PolarHBondContact O-N 3.09Å; E644-Q647 PolarHBondContact O-N 3.36Å; E644-R648 VanDerWaalsContact O-CG 3.26Å; E644-R648 WeakPolarHBondContact O-CG 3.24Å; E644-R648 PolarHBondContact O-N 3.24Å; E644-R648 IonicContact OE2-NH2 2.77Å; E644-R648 PolarHBondContact OE2-NH2 3.16Å
645	E	90.5	Very high	90.4	Very high	113 Å²	113	72.7 Å²	72.7	53%	0.528	33%	0.334	S	S	.	.	H	α-helix	trans	-64.5	-43.9	174.3	-73.2	178.8	168.9	0	0	112	V641 R642 L643 Q647 R648 A649	V641-E645 HydrophobicContact CG1-CG 4.29Å; V641-E645 WeakPolarHBondContact O-CB 3.45Å; V641-E645 WeakPolarHBondContact O-CG 3.32Å; V641-E645 PolarHBondContact O-N 3.08Å; R642-E645 PolarHBondContact O-N 2.98Å; L643-E645 VanDerWaalsContact C-N 3.34Å; E645-Q647 VanDerWaalsContact C-N 3.26Å; E645-Q647 PolarHBondContact O-N 3.08Å; E645-R648 PolarHBondContact O-N 3.24Å; E645-R648 VanDerWaalsContact O-N 3.13Å; E645-A649 PolarHBondContact O-N 3.37Å
646	K	94	Very high	90.1	Very high	66 Å²	66	73.3 Å²	73.3	29%	0.287	34%	0.337	S	S	.	.	H	α-helix	trans	-54.6	-44.1	173.3	-169.1	-177.7	-170.1	-174	0	111	R642 L643 A649 E650 D709 Y711	R642-K646 WeakPolarHBondContact O-CB 3.48Å; R642-K646 PolarHBondContact O-N 3.5Å; L643-K646 PolarHBondContact O-N 3.22Å; K646-A649 PolarHBondContact O-N 3.06Å; K646-E650 WeakPolarHBondContact O-CB 3.33Å; K646-E650 PolarHBondContact O-N 2.99Å; K646-D709 PolarHBondContact NZ-O 3.48Å; K646-D709 IonicContact NZ-OD1 3.61Å; K646-D709 PolarHBondContact NZ-OD1 2.9Å; K646-D709 IonicContact NZ-OD2 2.69Å; K646-D709 PolarHBondContact NZ-OD2 3.34Å; K646-Y711 PolarHBondContact NZ-O 2.93Å
647	Q	89.3	Confident	89.8	Confident	36 Å²	36	77.3 Å²	77.3	17%	0.168	36%	0.356	C	S	.	.	H	α-helix	trans	-68.6	-37.8	176.7	-72.3	-158.5	-23.9	0	0	114.4	L424 L425 L643 E644 E645 A649 R651	L424-Q647 HydrophobicContact CD2-CG 4.35Å; L425-Q647 VanDerWaalsContact N-NE2 3.17Å; L643-Q647 WeakPolarHBondContact O-CG 3.34Å; L643-Q647 PolarHBondContact O-N 3.48Å; E644-Q647 PolarHBondContact O-N 3.36Å; E645-Q647 VanDerWaalsContact C-N 3.26Å; E645-Q647 PolarHBondContact O-N 3.08Å; Q647-A649 VanDerWaalsContact C-N 3.34Å; Q647-R651 WeakPolarHBondContact O-CB 3.45Å; Q647-R651 PolarHBondContact O-N 3.39Å
648	R	87	Confident	89.5	Confident	142 Å²	142	76.7 Å²	76.7	54%	0.536	36%	0.356	S	S	.	.	H	α-helix	trans	-64.1	-42.7	176.2	-72.1	171.4	-164.6	-172.7	7.5	110.4	E644 E645 R651 K652	E644-R648 VanDerWaalsContact O-CG 3.26Å; E644-R648 WeakPolarHBondContact O-CG 3.24Å; E644-R648 PolarHBondContact O-N 3.24Å; E644-R648 IonicContact OE2-NH2 2.77Å; E644-R648 PolarHBondContact OE2-NH2 3.16Å; E645-R648 PolarHBondContact O-N 3.24Å; E645-R648 VanDerWaalsContact O-N 3.13Å; R648-R651 PolarHBondContact O-N 3.26Å; R648-K652 WeakPolarHBondContact O-CB 3.4Å; R648-K652 PolarHBondContact O-N 3.32Å
649	A	90.7	Very high	89	Confident	62 Å²	62	76 Å²	76	51%	0.512	35%	0.353	S	S	.	.	H	α-helix	trans	-62.8	-47.4	175.9	0	0	0	0	0	112	E645 K646 Q647 R651 K652 R653	E645-A649 PolarHBondContact O-N 3.37Å; K646-A649 PolarHBondContact O-N 3.06Å; Q647-A649 VanDerWaalsContact C-N 3.34Å; A649-R651 VanDerWaalsContact C-N 3.32Å; A649-R651 PolarHBondContact O-N 3.37Å; A649-K652 PolarHBondContact O-N 3.33Å; A649-R653 PolarHBondContact O-N 3.26Å
650	E	88.6	Confident	88.5	Confident	62 Å²	62	78.9 Å²	78.9	29%	0.29	37%	0.367	S	S	.	.	H	α-helix	trans	-60.4	-41.4	177.3	177.6	55.1	-152.3	0	0	112.1	K646 R653 Q654	K646-E650 WeakPolarHBondContact O-CB 3.33Å; K646-E650 PolarHBondContact O-N 2.99Å; E650-R653 WeakPolarHBondContact O-CB 3.43Å; E650-R653 PolarHBondContact O-N 2.83Å; E650-R653 IonicContact OE1-CZ 3.62Å; E650-R653 IonicContact OE1-NE 2.71Å; E650-R653 IonicContact OE1-NH2 3.45Å; E650-R653 PolarHBondContact OE1-NH2 3.07Å; E650-R653 IonicContact OE2-CZ 3.41Å; E650-R653 IonicContact OE2-NE 2.79Å; E650-R653 PolarHBondContact OE2-NE 2.67Å; E650-R653 IonicContact OE2-NH1 2.65Å; E650-R653 PolarHBondContact OE2-NH1 3.4Å; E650-R653 IonicContact OE2-NH2 2.94Å; E650-R653 PolarHBondContact OE2-NH2 3.04Å; E650-Q654 WeakPolarHBondContact O-CG 3.41Å; E650-Q654 PolarHBondContact O-N 2.84Å; E650-Q654 PolarHBondContact OE1-NE2 3.27Å
651	R	85.4	Confident	88.2	Confident	77 Å²	77	79 Å²	79	29%	0.291	37%	0.37	S	S	.	.	H	α-helix	trans	-63.9	-44.9	176.3	-170.3	-168.3	-48.6	-177	8.8	112	H448 H449 Q647 R648 A649 R653 Q654 E655	H448-R651 PolarHBondContact CD2-NH2 3.49Å; H448-R651 PolarHBondContact NE2-NH2 3.47Å; H449-R651 VanDerWaalsContact CD2-CZ 3.47Å; H449-R651 PolarHBondContact CD2-NH1 3.34Å; H449-R651 PolarHBondContact NE2-NH1 3.16Å; H449-R651 PolarHBondContact NE2-NH2 2.83Å; H449-R651 VanDerWaalsContact NE2-NH2 3.18Å; Q647-R651 WeakPolarHBondContact O-CB 3.45Å; Q647-R651 PolarHBondContact O-N 3.39Å; R648-R651 PolarHBondContact O-N 3.26Å; A649-R651 VanDerWaalsContact C-N 3.32Å; A649-R651 PolarHBondContact O-N 3.37Å; R651-R653 PolarHBondContact O-N 3.16Å; R651-Q654 WeakPolarHBondContact O-CB 3.23Å; R651-Q654 PolarHBondContact O-N 3.1Å; R651-Q654 VanDerWaalsContact O-N 3.09Å; R651-E655 VanDerWaalsContact CD-OE1 3.3Å; R651-E655 WeakPolarHBondContact CD-OE1 3.49Å; R651-E655 HydrophobicContact CG-CG 4.4Å; R651-E655 WeakPolarHBondContact CG-OE1 3.3Å; R651-E655 WeakPolarHBondContact O-CG 3.44Å; R651-E655 PolarHBondContact O-N 3.32Å
652	K	88.1	Confident	87.7	Confident	131 Å²	131	82.5 Å²	82.5	57%	0.57	38%	0.384	S	S	*	.	H	α-helix	trans	-58.7	-39.5	177.2	-172.6	176.1	-178.6	177.9	0	110.9	R648 A649 E655 Q656	R648-K652 WeakPolarHBondContact O-CB 3.4Å; R648-K652 PolarHBondContact O-N 3.32Å; A649-K652 PolarHBondContact O-N 3.33Å; K652-E655 PolarHBondContact O-N 3.43Å; K652-Q656 WeakPolarHBondContact O-CB 3.42Å; K652-Q656 VanDerWaalsContact O-CG 3.25Å; K652-Q656 WeakPolarHBondContact O-CG 3.4Å; K652-Q656 PolarHBondContact O-N 3.05Å
653	R	88	Confident	87.1	Confident	127 Å²	127	83.9 Å²	83.9	48%	0.479	40%	0.402	S	S	.	.	H	α-helix	trans	-61.1	-48.6	172.8	-169.7	-175.8	73.2	-171.4	1.5	111.6	A649 E650 R651 E655 Q656 E657	A649-R653 PolarHBondContact O-N 3.26Å; E650-R653 WeakPolarHBondContact O-CB 3.43Å; E650-R653 PolarHBondContact O-N 2.83Å; E650-R653 IonicContact OE1-CZ 3.62Å; E650-R653 IonicContact OE1-NE 2.71Å; E650-R653 IonicContact OE1-NH2 3.45Å; E650-R653 PolarHBondContact OE1-NH2 3.07Å; E650-R653 IonicContact OE2-CZ 3.41Å; E650-R653 IonicContact OE2-NE 2.79Å; E650-R653 PolarHBondContact OE2-NE 2.67Å; E650-R653 IonicContact OE2-NH1 2.65Å; E650-R653 PolarHBondContact OE2-NH1 3.4Å; E650-R653 IonicContact OE2-NH2 2.94Å; E650-R653 PolarHBondContact OE2-NH2 3.04Å; R651-R653 PolarHBondContact O-N 3.16Å; R653-E655 VanDerWaalsContact C-N 3.34Å; R653-E655 PolarHBondContact O-N 3.47Å; R653-Q656 PolarHBondContact O-N 3.28Å; R653-E657 IonicContact NE-OE1 2.67Å; R653-E657 WeakPolarHBondContact O-CG 3.29Å; R653-E657 PolarHBondContact O-N 3.13Å
654	Q	86.2	Confident	86.7	Confident	38 Å²	38	88.1 Å²	88.1	18%	0.178	42%	0.422	C	S	.	.	H	α-helix	trans	-62.7	-37.7	178.5	-73.5	177.9	22.4	0	0	113.2	E650 R651 A658 Y668	E650-Q654 WeakPolarHBondContact O-CG 3.41Å; E650-Q654 PolarHBondContact O-N 2.84Å; E650-Q654 PolarHBondContact OE1-NE2 3.27Å; R651-Q654 WeakPolarHBondContact O-CB 3.23Å; R651-Q654 PolarHBondContact O-N 3.1Å; R651-Q654 VanDerWaalsContact O-N 3.09Å; Q654-A658 VanDerWaalsContact O-CB 3.3Å; Q654-A658 WeakPolarHBondContact O-CB 3.41Å; Q654-A658 PolarHBondContact O-N 3Å; Q654-Y668 WeakPolarHBondContact CB-OH 3.43Å; Q654-Y668 PolarHBondContact O-OH 3.49Å; Q654-Y668 VanDerWaalsContact O-OH 3.12Å
655	E	85.2	Confident	86.2	Confident	114 Å²	114	89 Å²	89	53%	0.533	45%	0.445	S	S	.	.	H	α-helix	trans	-65.8	-43.6	175.4	-73.5	168.6	-175.2	0	0	111.2	R651 K652 R653 A658 E659	R651-E655 VanDerWaalsContact CD-OE1 3.3Å; R651-E655 WeakPolarHBondContact CD-OE1 3.49Å; R651-E655 HydrophobicContact CG-CG 4.4Å; R651-E655 WeakPolarHBondContact CG-OE1 3.3Å; R651-E655 WeakPolarHBondContact O-CG 3.44Å; R651-E655 PolarHBondContact O-N 3.32Å; K652-E655 PolarHBondContact O-N 3.43Å; R653-E655 VanDerWaalsContact C-N 3.34Å; R653-E655 PolarHBondContact O-N 3.47Å; E655-A658 WeakPolarHBondContact O-CB 3.47Å; E655-A658 PolarHBondContact O-N 3.39Å; E655-E659 WeakPolarHBondContact O-CB 3.24Å; E655-E659 PolarHBondContact O-N 3.48Å
656	Q	88.1	Confident	85.9	Confident	107 Å²	107	89.5 Å²	89.5	50%	0.5	45%	0.445	S	S	.	.	H	α-helix	trans	-63.1	-43.1	174.7	-72.2	173	-12.8	0	0	112.3	K652 R653 A658 E659 Q660	K652-Q656 WeakPolarHBondContact O-CB 3.42Å; K652-Q656 VanDerWaalsContact O-CG 3.25Å; K652-Q656 WeakPolarHBondContact O-CG 3.4Å; K652-Q656 PolarHBondContact O-N 3.05Å; R653-Q656 PolarHBondContact O-N 3.28Å; Q656-A658 VanDerWaalsContact C-N 3.32Å; Q656-A658 PolarHBondContact O-N 3.48Å; Q656-E659 PolarHBondContact O-N 2.94Å; Q656-Q660 WeakPolarHBondContact O-CB 3.48Å; Q656-Q660 PolarHBondContact O-N 2.86Å
657	E	88.2	Confident	85.1	Confident	85 Å²	85	92 Å²	92	40%	0.397	47%	0.468	S	S	.	.	H	α-helix	trans	-64.3	-36.7	175.7	-74.3	174.7	-168.6	0	0	112.2	R653 S661 Y668	R653-E657 IonicContact NE-OE1 2.67Å; R653-E657 WeakPolarHBondContact O-CG 3.29Å; R653-E657 PolarHBondContact O-N 3.13Å; E657-S661 VanDerWaalsContact O-CB 3.27Å; E657-S661 WeakPolarHBondContact O-CB 3.43Å; E657-S661 PolarHBondContact O-N 3.42Å; E657-S661 PolarHBondContact O-OG 2.94Å; E657-Y668 HydrophobicContact CB-CE2 4.14Å
658	A	83.3	Confident	84.6	Confident	29 Å²	29	94.6 Å²	94.6	24%	0.24	48%	0.477	C	S	.	.	H	α-helix	trans	-66.7	-45.2	175.1	0	0	0	0	0	111.6	Q654 E655 Q656 S661 M662 Y668	Q654-A658 VanDerWaalsContact O-CB 3.3Å; Q654-A658 WeakPolarHBondContact O-CB 3.41Å; Q654-A658 PolarHBondContact O-N 3Å; E655-A658 WeakPolarHBondContact O-CB 3.47Å; E655-A658 PolarHBondContact O-N 3.39Å; Q656-A658 VanDerWaalsContact C-N 3.32Å; Q656-A658 PolarHBondContact O-N 3.48Å; A658-S661 PolarHBondContact O-N 3.27Å; A658-M662 WeakPolarHBondContact O-CB 3.49Å; A658-M662 PolarHBondContact O-N 3.07Å; A658-Y668 HydrophobicContact CB-CD1 3.63Å; A658-Y668 HydrophobicContact CB-CD2 4.1Å; A658-Y668 HydrophobicContact CB-CE1 3.53Å; A658-Y668 HydrophobicContact CB-CE2 4.05Å; A658-Y668 HydrophobicContact CB-CG 3.91Å
659	E	82.6	Confident	84	Confident	124 Å²	124	96 Å²	96	58%	0.579	49%	0.487	S	S	*	.	H	α-helix	trans	-62.5	-46.3	176.7	-174.8	174.2	-161.9	0	0	111.1	E655 Q656 S661 M662 V663	E655-E659 WeakPolarHBondContact O-CB 3.24Å; E655-E659 PolarHBondContact O-N 3.48Å; Q656-E659 PolarHBondContact O-N 2.94Å; E659-S661 PolarHBondContact O-N 2.93Å; E659-M662 WeakPolarHBondContact O-CB 3.38Å; E659-M662 PolarHBondContact O-N 3.24Å; E659-V663 WeakPolarHBondContact O-CG2 3.38Å; E659-V663 PolarHBondContact O-N 2.93Å
660	Q	83.4	Confident	83.6	Confident	112 Å²	112	94.5 Å²	94.5	52%	0.523	48%	0.478	S	S	.	.	H	α-helix	trans	-62.5	-43.7	176.4	-175.4	175.2	-0.1	0	0	111.9	Q656 M662 V663 E664	Q656-Q660 WeakPolarHBondContact O-CB 3.48Å; Q656-Q660 PolarHBondContact O-N 2.86Å; Q660-M662 VanDerWaalsContact C-N 3.26Å; Q660-M662 PolarHBondContact O-N 3.34Å; Q660-V663 PolarHBondContact O-N 2.94Å; Q660-E664 HydrophobicContact CG-CG 4.43Å; Q660-E664 WeakPolarHBondContact CG-OE1 3.43Å; Q660-E664 PolarHBondContact NE2-OE1 2.94Å; Q660-E664 WeakPolarHBondContact O-CB 3.3Å; Q660-E664 WeakPolarHBondContact O-CG 3.38Å; Q660-E664 PolarHBondContact O-N 3.17Å
661	S	85.3	Confident	83.5	Confident	24 Å²	24	94.4 Å²	94.4	17%	0.168	48%	0.475	C	S	.	.	H	α-helix	trans	-60.6	-38	175.9	-63.1	0	0	0	0	111.8	E657 A658 E659 E664 G665 K666	E657-S661 VanDerWaalsContact O-CB 3.27Å; E657-S661 WeakPolarHBondContact O-CB 3.43Å; E657-S661 PolarHBondContact O-N 3.42Å; E657-S661 PolarHBondContact O-OG 2.94Å; A658-S661 PolarHBondContact O-N 3.27Å; E659-S661 PolarHBondContact O-N 2.93Å; S661-E664 PolarHBondContact O-N 3.44Å; S661-G665 PolarHBondContact O-N 3.35Å; S661-K666 PolarHBondContact O-N 3.44Å
662	M	81.1	Confident	83.7	Confident	142 Å²	142	96 Å²	96	70%	0.7	49%	0.486	S	S	*	.	H	α-helix	trans	-65.4	-43.9	175.6	-175.5	179.7	66.8	0	0	111.8	A658 E659 Q660 E664 G665	A658-M662 WeakPolarHBondContact O-CB 3.49Å; A658-M662 PolarHBondContact O-N 3.07Å; E659-M662 WeakPolarHBondContact O-CB 3.38Å; E659-M662 PolarHBondContact O-N 3.24Å; Q660-M662 VanDerWaalsContact C-N 3.26Å; Q660-M662 PolarHBondContact O-N 3.34Å; M662-E664 VanDerWaalsContact C-N 3.32Å; M662-E664 PolarHBondContact O-N 3.36Å; M662-G665 PolarHBondContact O-N 3.28Å
663	V	82.2	Confident	84	Confident	120 Å²	120	90.3 Å²	90.3	73%	0.727	46%	0.462	S	S	*	.	H	α-helix	trans	-62.2	-40.2	175.1	172.5	0	0	0	0	111.3	E659 Q660 G665	E659-V663 WeakPolarHBondContact O-CG2 3.38Å; E659-V663 PolarHBondContact O-N 2.93Å; Q660-V663 PolarHBondContact O-N 2.94Å; V663-G665 VanDerWaalsContact C-N 3.27Å; V663-G665 PolarHBondContact O-N 3.46Å
664	E	85.6	Confident	84.4	Confident	88 Å²	88	85.6 Å²	85.6	41%	0.411	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-4.8	179.1	-67.3	178.4	-169.5	0	0	113.7	Q660 S661 M662 K666	Q660-E664 HydrophobicContact CG-CG 4.43Å; Q660-E664 WeakPolarHBondContact CG-OE1 3.43Å; Q660-E664 PolarHBondContact NE2-OE1 2.94Å; Q660-E664 WeakPolarHBondContact O-CB 3.3Å; Q660-E664 WeakPolarHBondContact O-CG 3.38Å; Q660-E664 PolarHBondContact O-N 3.17Å; S661-E664 PolarHBondContact O-N 3.44Å; M662-E664 VanDerWaalsContact C-N 3.32Å; M662-E664 PolarHBondContact O-N 3.36Å; E664-K666 HydrophobicContact CB-CD 4.21Å; E664-K666 HydrophobicContact CB-CG 4.12Å; E664-K666 PolarHBondContact O-N 3.32Å; E664-K666 WeakPolarHBondContact OE2-CD 3.37Å; E664-K666 WeakPolarHBondContact OE2-CE 3.43Å; E664-K666 IonicContact OE2-NZ 3.71Å; E664-K666 PolarHBondContact OE2-NZ 3.22Å
665	G	78.2	Confident	84.9	Confident	70 Å²	70	84 Å²	84	72%	0.722	44%	0.439	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	19.4	-175.5	0	0	0	0	0	114.2	S661 M662 V663	S661-G665 PolarHBondContact O-N 3.35Å; M662-G665 PolarHBondContact O-N 3.28Å; V663-G665 VanDerWaalsContact C-N 3.27Å; V663-G665 PolarHBondContact O-N 3.46Å
666	K	82.3	Confident	85.4	Confident	123 Å²	123	78.7 Å²	78.7	54%	0.535	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-88.4	144.9	178.8	-69.1	178.5	-175.6	163.1	0	111	S661 E664 Y668	S661-K666 PolarHBondContact O-N 3.44Å; E664-K666 HydrophobicContact CB-CD 4.21Å; E664-K666 HydrophobicContact CB-CG 4.12Å; E664-K666 PolarHBondContact O-N 3.32Å; E664-K666 WeakPolarHBondContact OE2-CD 3.37Å; E664-K666 WeakPolarHBondContact OE2-CE 3.43Å; E664-K666 IonicContact OE2-NZ 3.71Å; E664-K666 PolarHBondContact OE2-NZ 3.22Å; K666-Y668 PolarHBondContact O-N 2.85Å
667	P	77.8	Confident	85.7	Confident	118 Å²	118	77.3 Å²	77.3	77%	0.766	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-69.8	117.3	175.1	28.1	-33	0	0	0	110.8
668	Y	79.6	Confident	85.7	Confident	91 Å²	91	77.9 Å²	77.9	36%	0.357	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-84.7	120.3	171.6	-178.6	-110.7	0	0	0	110.5	Q654 E657 A658 K666 G670	Q654-Y668 WeakPolarHBondContact CB-OH 3.43Å; Q654-Y668 PolarHBondContact O-OH 3.49Å; Q654-Y668 VanDerWaalsContact O-OH 3.12Å; E657-Y668 HydrophobicContact CB-CE2 4.14Å; A658-Y668 HydrophobicContact CB-CD1 3.63Å; A658-Y668 HydrophobicContact CB-CD2 4.1Å; A658-Y668 HydrophobicContact CB-CE1 3.53Å; A658-Y668 HydrophobicContact CB-CE2 4.05Å; A658-Y668 HydrophobicContact CB-CG 3.91Å; K666-Y668 PolarHBondContact O-N 2.85Å; Y668-G670 VanDerWaalsContact CE1-CA 3.44Å
669	K	73.9	Confident	85.9	Confident	172 Å²	172	80 Å²	80	75%	0.748	42%	0.419	S	S	*	.			trans	-85.4	-14.7	-176.1	-72.5	-177.2	179.5	176.3	0	113.9	Q672	K669-Q672 PolarHBondContact O-NE2 2.67Å
670	G	81.8	Confident	85.9	Confident	31 Å²	31	81.6 Å²	81.6	32%	0.32	42%	0.424	S	S	.	.			trans	56	-175.3	-174.4	0	0	0	0	0	113.8	Y668 Q672	Y668-G670 VanDerWaalsContact CE1-CA 3.44Å; G670-Q672 PolarHBondContact O-N 3.27Å
671	Y	87	Confident	85.7	Confident	59 Å²	59	76.4 Å²	76.4	23%	0.231	40%	0.4	C	S	.	.			trans	-60.6	128.9	174.8	-179.4	-93.9	0	0	0	111.4	L425 G426 E444 P673	L425-Y671 HydrophobicContact CD1-CD1 3.69Å; L425-Y671 HydrophobicContact CD1-CE1 3.73Å; L425-Y671 HydrophobicContact CD1-CG 4.15Å; L425-Y671 HydrophobicContact CD2-CD1 4.18Å; L425-Y671 HydrophobicContact CD2-CD2 3.84Å; L425-Y671 HydrophobicContact CD2-CE2 4.34Å; L425-Y671 HydrophobicContact CD2-CG 3.76Å; L425-Y671 HydrophobicContact CG-CD1 4.05Å; L425-Y671 HydrophobicContact CG-CD2 4.03Å; L425-Y671 HydrophobicContact CG-CE1 4.07Å; L425-Y671 HydrophobicContact CG-CE2 4.04Å; L425-Y671 HydrophobicContact CG-CG 4.05Å; G426-Y671 WeakPolarHBondContact CA-OH 3.38Å; E444-Y671 PolarHBondContact OE1-OH 2.97Å; Y671-P673 HydrophobicContact CE1-CB 4.37Å; Y671-P673 HydrophobicContact CE1-CG 4.1Å
672	Q	90.7	Very high	85.4	Confident	110 Å²	110	80.6 Å²	80.6	51%	0.514	43%	0.427	S	S	.	.			trans	-116	121.3	174.5	-64.6	-61.9	-38	0	0	109	K669 G670	K669-Q672 PolarHBondContact O-NE2 2.67Å; G670-Q672 PolarHBondContact O-N 3.27Å
673	P	93.6	Very high	85.3	Confident	12 Å²	12	80.1 Å²	80.1	8%	0.078	42%	0.417	C	S	.	.			trans	-58.7	142.3	175.7	-21.8	32.5	0	0	0	111.8	E444 V446 Y671 F676	E444-P673 WeakPolarHBondContact OE1-CA 3.33Å; E444-P673 VanDerWaalsContact OE1-CB 3.31Å; E444-P673 WeakPolarHBondContact OE1-CB 3.39Å; V446-P673 HydrophobicContact CB-CB 4.11Å; V446-P673 HydrophobicContact CB-CG 3.51Å; V446-P673 HydrophobicContact CG1-CB 3.76Å; V446-P673 HydrophobicContact CG1-CG 3.73Å; Y671-P673 HydrophobicContact CE1-CB 4.37Å; Y671-P673 HydrophobicContact CE1-CG 4.1Å; P673-F676 HydrophobicContact CB-CB 4.44Å
674	L	96.3	Very high	85	Confident	29 Å²	29	76.1 Å²	76.1	15%	0.152	39%	0.393	C	S	.	.	S	Bend	trans	-81.2	-38.2	-173.5	-175.8	59.1	0	0	0	111.9	E444 N692 L706	E444-L674 PolarHBondContact OE1-N 2.96Å; E444-L674 PolarHBondContact OE2-N 2.91Å; L674-N692 PolarHBondContact O-ND2 2.84Å; L674-L706 HydrophobicContact CD1-CB 4.15Å; L674-L706 HydrophobicContact CD1-CD1 4.42Å; L674-L706 HydrophobicContact CD2-CB 3.77Å; L674-L706 WeakPolarHBondContact CD2-O 3.45Å
675	W	97.2	Very high	84.5	Confident	3 Å²	3	73.9 Å²	73.9	1%	0.011	39%	0.393	C	S	.	.	S	Bend	trans	-103.8	-8.7	-170.3	-48.4	116.3	0	0	0	113.2	E444 F691 N692 R694 Y695 N698 W704	E444-W675 WeakPolarHBondContact OE2-CB 3.28Å; E444-W675 PolarHBondContact OE2-N 3.42Å; W675-F691 HydrophobicContact CB-CE2 4.41Å; W675-F691 VanDerWaalsContact O-CD2 3.28Å; W675-F691 WeakPolarHBondContact O-CD2 3.45Å; W675-N692 PolarHBondContact O-N 2.9Å; W675-N692 PolarHBondContact O-OD1 2.81Å; W675-N692 VanDerWaalsContact O-OD1 3.13Å; W675-R694 HydrophobicContact CE3-CB 3.89Å; W675-R694 VanDerWaalsContact CZ3-C 3.49Å; W675-R694 HydrophobicContact CZ3-CB 3.83Å; W675-Y695 AromaticContact CD1-CD2 3.89Å; W675-Y695 AromaticContact CD2-CD2 3.69Å; W675-Y695 HydrophobicContact CD2-CD2 3.69Å; W675-Y695 HydrophobicContact CD2-CG 4.26Å; W675-Y695 AromaticContact CE2-CD2 3.57Å; W675-Y695 HydrophobicContact CE3-CD2 4.31Å; W675-Y695 HydrophobicContact CE3-CG 4.49Å; W675-Y695 AromaticContact CG-CD2 3.85Å; W675-Y695 HydrophobicContact CG-CD2 3.85Å; W675-Y695 HydrophobicContact CZ2-CD2 4.04Å; W675-Y695 VanDerWaalsContact CZ3-CA 3.47Å; W675-Y695 AromaticContact NE1-CD2 3.72Å; W675-N698 HydrophobicContact CH2-CB 3.86Å; W675-N698 HydrophobicContact CZ3-CB 4.15Å; W675-W704 HydrophobicContact CH2-CE3 4.32Å; W675-W704 HydrophobicContact CH2-CZ3 4.06Å; W675-W704 HydrophobicContact CZ2-CE3 4.24Å; W675-W704 HydrophobicContact CZ2-CZ3 4.02Å
676	F	95.9	Very high	84.5	Confident	3 Å²	3	71.9 Å²	71.9	1%	0.013	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	146	178.3	-62.9	-98.4	0	0	0	112.1	V442 E444 V446 A454 P673 H689 K690 F691	V442-F676 HydrophobicContact CG1-CE2 4.36Å; E444-F676 HydrophobicContact CB-CD2 3.7Å; E444-F676 HydrophobicContact CB-CE2 3.68Å; V446-F676 HydrophobicContact CG1-CB 4.4Å; V446-F676 HydrophobicContact CG1-CD2 4.47Å; A454-F676 HydrophobicContact CB-CB 4.34Å; A454-F676 HydrophobicContact CB-CD1 3.56Å; A454-F676 HydrophobicContact CB-CD2 3.97Å; A454-F676 HydrophobicContact CB-CE1 3.73Å; A454-F676 HydrophobicContact CB-CE2 4.14Å; A454-F676 HydrophobicContact CB-CG 3.7Å; A454-F676 HydrophobicContact CB-CZ 4.03Å; P673-F676 HydrophobicContact CB-CB 4.44Å; F676-H689 HydrophobicContact CB-CB 3.92Å; F676-H689 HydrophobicContact CD1-CB 4.35Å; F676-H689 HydrophobicContact CG-CB 4.44Å; F676-K690 CarbonylContact C-O 3.28Å; F676-K690 VanDerWaalsContact CA-O 3.3Å; F676-K690 WeakPolarHBondContact CA-O 3.37Å; F676-F691 HydrophobicContact CD1-CB 4.03Å; F676-F691 HydrophobicContact CD1-CD2 4.48Å; F676-F691 HydrophobicContact CE1-CB 3.81Å; F676-F691 HydrophobicContact CE1-CD2 4.09Å; F676-F691 HydrophobicContact CE1-CG 4.4Å; F676-F691 HydrophobicContact CE2-CD2 4.34Å; F676-F691 HydrophobicContact CZ-CD2 4Å
677	V	93.3	Very high	84.3	Confident	79 Å²	79	70.3 Å²	70.3	48%	0.479	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129	178.7	179.9	0	0	0	0	109.7	Q679 H689 K690 N692	V677-Q679 PolarHBondContact O-N 2.98Å; V677-H689 WeakPolarHBondContact O-CA 3.35Å; V677-K690 PolarHBondContact N-O 2.92Å; V677-K690 PolarHBondContact O-N 2.7Å; V677-N692 HydrophobicContact CG2-CB 4.07Å
678	K	89.3	Confident	84.6	Confident	97 Å²	97	65.7 Å²	65.7	42%	0.422	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	126.1	172.6	-75.3	174	-177.1	169.2	0	109.9	H689	K678-H689 WeakPolarHBondContact CE-NE2 3.28Å; K678-H689 WeakPolarHBondContact CG-NE2 3.46Å
679	Q	86.3	Confident	85	Confident	72 Å²	72	62.1 Å²	62.1	34%	0.336	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	164.7	174	65.7	173.7	22.5	0	0	110.8	V677 I688 K690	V677-Q679 PolarHBondContact O-N 2.98Å; Q679-I688 HydrophobicContact CG-CD1 4.1Å; Q679-I688 HydrophobicContact CG-CG1 3.68Å; Q679-I688 PolarHBondContact N-O 2.79Å; Q679-I688 PolarHBondContact O-N 2.83Å; Q679-I688 VanDerWaalsContact O-O 3.09Å; Q679-K690 HydrophobicContact CG-CB 4.1Å
680	K	83.3	Confident	85.8	Confident	159 Å²	159	59.7 Å²	59.7	69%	0.691	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.3	130.2	171.7	-166.6	174.5	-176.6	177.5	0	109.3	P682 G685	K680-P682 WeakPolarHBondContact O-CD 3.48Å; K680-G685 WeakPolarHBondContact CE-O 3.12Å; K680-G685 WeakPolarHBondContact CG-O 3.48Å
681	D	78.8	Confident	86.5	Confident	2 Å²	2	58.7 Å²	58.7	1%	0.011	31%	0.305	C	S	.	.			trans	-67.9	122.9	174	179.2	5.3	0	0	0	110.2	H481 W683 T684 G685 G686 I688	H481-D681 IonicContact CE1-OD2 3.92Å; H481-D681 PolarHBondContact CE1-OD2 3.19Å; H481-D681 IonicContact NE2-OD2 3.19Å; D681-W683 PolarHBondContact O-N 2.8Å; D681-W683 PolarHBondContact OD1-N 3.05Å; D681-T684 WeakPolarHBondContact CB-OG1 3.43Å; D681-T684 WeakPolarHBondContact OD2-CB 3.37Å; D681-T684 WeakPolarHBondContact OD2-CG2 3.4Å; D681-T684 PolarHBondContact OD2-N 3.17Å; D681-T684 PolarHBondContact OD2-OG1 2.8Å; D681-G685 VanDerWaalsContact O-CA 3.3Å; D681-G685 WeakPolarHBondContact O-CA 3.4Å; D681-G685 PolarHBondContact O-N 3.25Å; D681-G686 WeakPolarHBondContact CB-O 3.18Å; D681-G686 PolarHBondContact N-O 3.06Å; D681-I688 HydrophobicContact CB-CB 4.48Å; D681-I688 HydrophobicContact CB-CD1 3.83Å; D681-I688 HydrophobicContact CB-CG1 3.96Å; D681-I688 HydrophobicContact CB-CG2 3.78Å
682	P	79	Confident	86.9	Confident	113 Å²	113	57.8 Å²	57.8	73%	0.734	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-29.5	175.8	-24	34.5	0	0	0	114	K680	K680-P682 WeakPolarHBondContact O-CD 3.48Å
683	W	78.7	Confident	87	Confident	132 Å²	132	56.4 Å²	56.4	50%	0.5	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-42.8	-172.2	-63.1	109.3	0	0	0	113.7	Y490 K521 D681	Y490-W683 AromaticContact CD1-CD1 3.91Å; Y490-W683 AromaticContact CD1-NE1 3.62Å; Y490-W683 AromaticContact CE1-CD1 3.26Å; Y490-W683 HydrophobicContact CE1-CG 4.07Å; Y490-W683 AromaticContact CE1-NE1 3.36Å; Y490-W683 AromaticContact CZ-CD1 3.79Å; Y490-W683 AromaticContact CZ-NE1 3.81Å; K521-W683 HydrophobicContact CB-CD2 4.32Å; K521-W683 HydrophobicContact CB-CE3 4.06Å; K521-W683 HydrophobicContact CB-CH2 3.92Å; K521-W683 HydrophobicContact CB-CZ2 4.18Å; K521-W683 HydrophobicContact CB-CZ3 3.86Å; K521-W683 HydrophobicContact CD-CD2 4.37Å; K521-W683 HydrophobicContact CD-CE3 4.01Å; K521-W683 HydrophobicContact CD-CZ3 4.5Å; K521-W683 HydrophobicContact CG-CD2 3.98Å; K521-W683 HydrophobicContact CG-CE3 3.95Å; K521-W683 HydrophobicContact CG-CG 4.43Å; K521-W683 HydrophobicContact CG-CZ3 4.28Å; D681-W683 PolarHBondContact O-N 2.8Å; D681-W683 PolarHBondContact OD1-N 3.05Å
684	T	76.9	Confident	87.2	Confident	36 Å²	36	60.6 Å²	60.6	22%	0.221	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-13.5	-175.8	70.5	0	0	0	0	113.1	Y479 V492 D681 G686	Y479-T684 HydrophobicContact CD1-CG2 3.85Å; Y479-T684 HydrophobicContact CD2-CG2 3.8Å; Y479-T684 HydrophobicContact CE1-CG2 3.59Å; Y479-T684 VanDerWaalsContact CE2-CB 3.49Å; Y479-T684 HydrophobicContact CE2-CG2 3.56Å; Y479-T684 HydrophobicContact CG-CG2 3.91Å; V492-T684 HydrophobicContact CG1-CG2 4.02Å; D681-T684 WeakPolarHBondContact CB-OG1 3.43Å; D681-T684 WeakPolarHBondContact OD2-CB 3.37Å; D681-T684 WeakPolarHBondContact OD2-CG2 3.4Å; D681-T684 PolarHBondContact OD2-N 3.17Å; D681-T684 PolarHBondContact OD2-OG1 2.8Å; T684-G686 PolarHBondContact O-N 3.11Å; T684-G686 VanDerWaalsContact O-N 3.14Å; T684-G686 PolarHBondContact OG1-N 2.86Å
685	G	75.3	Confident	87.3	Confident	40 Å²	40	59.2 Å²	59.2	41%	0.412	31%	0.307	S	S	.	.			trans	70.3	-4	-173.1	0	0	0	0	0	114.5	K680 D681	K680-G685 WeakPolarHBondContact CE-O 3.12Å; K680-G685 WeakPolarHBondContact CG-O 3.48Å; D681-G685 VanDerWaalsContact O-CA 3.3Å; D681-G685 WeakPolarHBondContact O-CA 3.4Å; D681-G685 PolarHBondContact O-N 3.25Å
686	G	76.7	Confident	87.3	Confident	28 Å²	28	60.2 Å²	60.2	29%	0.289	31%	0.311	S	S	.	.	S	Bend	trans	-74.7	169.8	177.4	0	0	0	0	0	113.1	D681 T684	D681-G686 WeakPolarHBondContact CB-O 3.18Å; D681-G686 PolarHBondContact N-O 3.06Å; T684-G686 PolarHBondContact O-N 3.11Å; T684-G686 VanDerWaalsContact O-N 3.14Å; T684-G686 PolarHBondContact OG1-N 2.86Å
687	V	79	Confident	87.3	Confident	91 Å²	91	63.9 Å²	63.9	55%	0.552	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	127.6	171.7	-179.8	0	0	0	0	109	F467	F467-V687 VanDerWaalsContact CD1-O 3.27Å; F467-V687 WeakPolarHBondContact CD1-O 3.38Å; F467-V687 VanDerWaalsContact CE1-O 3.27Å; F467-V687 WeakPolarHBondContact CE1-O 3.34Å
688	I	84	Confident	87.5	Confident	21 Å²	21	60.7 Å²	60.7	11%	0.108	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	161.4	172.4	58.8	170.2	0	0	0	110.4	Q679 D681	Q679-I688 HydrophobicContact CG-CD1 4.1Å; Q679-I688 HydrophobicContact CG-CG1 3.68Å; Q679-I688 PolarHBondContact N-O 2.79Å; Q679-I688 PolarHBondContact O-N 2.83Å; Q679-I688 VanDerWaalsContact O-O 3.09Å; D681-I688 HydrophobicContact CB-CB 4.48Å; D681-I688 HydrophobicContact CB-CD1 3.83Å; D681-I688 HydrophobicContact CB-CG1 3.96Å; D681-I688 HydrophobicContact CB-CG2 3.78Å
689	H	88.6	Confident	87.9	Confident	15 Å²	15	57.8 Å²	57.8	7%	0.069	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	107	175.7	-76.3	80.6	0	0	0	108	A454 F467 F676 V677 K678	A454-H689 HydrophobicContact CB-CB 3.63Å; F467-H689 HydrophobicContact CD2-CB 4.26Å; F467-H689 AromaticContact CD2-ND1 3.36Å; F467-H689 WeakPolarHBondContact CD2-ND1 3.32Å; F467-H689 AromaticContact CE2-CE1 3.41Å; F467-H689 VanDerWaalsContact CE2-CE1 3.41Å; F467-H689 WeakPolarHBondContact CE2-CE1 3.42Å; F467-H689 AromaticContact CE2-ND1 2.99Å; F467-H689 WeakPolarHBondContact CE2-ND1 3.47Å; F467-H689 AromaticContact CZ-CE1 3.76Å; F467-H689 AromaticContact CZ-ND1 3.58Å; F676-H689 HydrophobicContact CB-CB 3.92Å; F676-H689 HydrophobicContact CD1-CB 4.35Å; F676-H689 HydrophobicContact CG-CB 4.44Å; V677-H689 WeakPolarHBondContact O-CA 3.35Å; K678-H689 WeakPolarHBondContact CE-NE2 3.28Å; K678-H689 WeakPolarHBondContact CG-NE2 3.46Å
690	K	90.9	Very high	88.4	Confident	121 Å²	121	58.6 Å²	58.6	53%	0.526	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	129.9	-178.9	-175.9	178.7	178.3	178.3	0	110.1	F676 V677 Q679 N692	F676-K690 CarbonylContact C-O 3.28Å; F676-K690 VanDerWaalsContact CA-O 3.3Å; F676-K690 WeakPolarHBondContact CA-O 3.37Å; V677-K690 PolarHBondContact N-O 2.92Å; V677-K690 PolarHBondContact O-N 2.7Å; Q679-K690 HydrophobicContact CG-CB 4.1Å; K690-N692 PolarHBondContact O-N 3.11Å
691	F	95.3	Very high	89	Confident	11 Å²	11	59.5 Å²	59.5	5%	0.048	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.6	134.7	174.6	-176.7	-120.9	0	0	0	111.1	V442 Y456 W675 F676 N693 W696	V442-F691 HydrophobicContact CB-CE2 4.21Å; V442-F691 HydrophobicContact CG1-CE2 4.13Å; Y456-F691 HydrophobicContact CD1-CB 4.11Å; Y456-F691 AromaticContact CD1-CD1 3.25Å; Y456-F691 HydrophobicContact CD1-CD1 3.25Å; Y456-F691 AromaticContact CD1-CE1 3.68Å; Y456-F691 HydrophobicContact CD1-CE1 3.68Å; Y456-F691 AromaticContact CD1-CG 3.75Å; Y456-F691 HydrophobicContact CD1-CG 3.75Å; Y456-F691 HydrophobicContact CD2-CB 3.85Å; Y456-F691 HydrophobicContact CD2-CD1 4.28Å; Y456-F691 HydrophobicContact CD2-CG 4.39Å; Y456-F691 AromaticContact CE1-CD1 3.51Å; Y456-F691 HydrophobicContact CE1-CD1 3.51Å; Y456-F691 AromaticContact CE1-CE1 3.85Å; Y456-F691 HydrophobicContact CE1-CE1 3.85Å; Y456-F691 HydrophobicContact CE1-CG 4.4Å; Y456-F691 HydrophobicContact CE2-CD1 4.5Å; Y456-F691 HydrophobicContact CG-CB 3.58Å; Y456-F691 AromaticContact CG-CD1 3.67Å; Y456-F691 HydrophobicContact CG-CD1 3.67Å; Y456-F691 HydrophobicContact CG-CE1 4.49Å; Y456-F691 AromaticContact CG-CG 3.73Å; Y456-F691 HydrophobicContact CG-CG 3.73Å; W675-F691 HydrophobicContact CB-CE2 4.41Å; W675-F691 VanDerWaalsContact O-CD2 3.28Å; W675-F691 WeakPolarHBondContact O-CD2 3.45Å; F676-F691 HydrophobicContact CD1-CB 4.03Å; F676-F691 HydrophobicContact CD1-CD2 4.48Å; F676-F691 HydrophobicContact CE1-CB 3.81Å; F676-F691 HydrophobicContact CE1-CD2 4.09Å; F676-F691 HydrophobicContact CE1-CG 4.4Å; F676-F691 HydrophobicContact CE2-CD2 4.34Å; F676-F691 HydrophobicContact CZ-CD2 4Å; F691-N693 WeakPolarHBondContact CD1-OD1 3.29Å; F691-N693 VanDerWaalsContact CE1-CA 3.47Å; F691-N693 HydrophobicContact CE1-CB 4.34Å; F691-N693 VanDerWaalsContact CE1-OD1 3.29Å; F691-N693 WeakPolarHBondContact CE1-OD1 3.14Å; F691-W696 AromaticContact CE1-CD1 3.61Å; F691-W696 AromaticContact CE1-NE1 3.62Å; F691-W696 AromaticContact CZ-CD1 3.57Å; F691-W696 HydrophobicContact CZ-CG 4.41Å; F691-W696 AromaticContact CZ-NE1 3.59Å
692	N	95.7	Very high	89.9	Confident	39 Å²	39	64.3 Å²	64.3	21%	0.209	34%	0.339	C	S	.	.			trans	-102.3	8.3	-173.8	68	21.8	0	0	0	114	L674 W675 V677 K690 R694	L674-N692 PolarHBondContact O-ND2 2.84Å; W675-N692 PolarHBondContact O-N 2.9Å; W675-N692 PolarHBondContact O-OD1 2.81Å; W675-N692 VanDerWaalsContact O-OD1 3.13Å; V677-N692 HydrophobicContact CG2-CB 4.07Å; K690-N692 PolarHBondContact O-N 3.11Å; N692-R694 PolarHBondContact O-N 3.02Å; N692-R694 VanDerWaalsContact OD1-CB 3.25Å; N692-R694 WeakPolarHBondContact OD1-CB 3.25Å; N692-R694 WeakPolarHBondContact OD1-CG 3.48Å; N692-R694 PolarHBondContact OD1-N 2.97Å
693	N	93.9	Very high	90.8	Very high	82 Å²	82	62.1 Å²	62.1	44%	0.439	32%	0.321	S	S	.	.	S	Bend	trans	64.1	-10.3	-177.6	-61.5	-44.3	0	0	0	116.7	F691 Y695 W696	F691-N693 WeakPolarHBondContact CD1-OD1 3.29Å; F691-N693 VanDerWaalsContact CE1-CA 3.47Å; F691-N693 HydrophobicContact CE1-CB 4.34Å; F691-N693 VanDerWaalsContact CE1-OD1 3.29Å; F691-N693 WeakPolarHBondContact CE1-OD1 3.14Å; N693-Y695 PolarHBondContact O-N 3.43Å; N693-Y695 VanDerWaalsContact O-N 3.15Å; N693-W696 PolarHBondContact O-N 2.8Å
694	R	96.9	Very high	91.7	Very high	100 Å²	100	57.8 Å²	57.8	38%	0.377	30%	0.304	S	S	.	.	H	α-helix	trans	-62.5	-29.3	-174.3	-63.6	171.2	63.1	-165.4	2.4	112.6	W675 N692 W696 D697 N698	W675-R694 HydrophobicContact CE3-CB 3.89Å; W675-R694 VanDerWaalsContact CZ3-C 3.49Å; W675-R694 HydrophobicContact CZ3-CB 3.83Å; N692-R694 PolarHBondContact O-N 3.02Å; N692-R694 VanDerWaalsContact OD1-CB 3.25Å; N692-R694 WeakPolarHBondContact OD1-CB 3.25Å; N692-R694 WeakPolarHBondContact OD1-CG 3.48Å; N692-R694 PolarHBondContact OD1-N 2.97Å; R694-W696 VanDerWaalsContact C-N 3.34Å; R694-W696 PolarHBondContact O-N 3.09Å; R694-D697 PolarHBondContact O-N 3.03Å; R694-N698 WeakPolarHBondContact O-CB 3.16Å; R694-N698 PolarHBondContact O-N 3.07Å; R694-N698 PolarHBondContact O-ND2 2.84Å
695	Y	98	Very high	92.7	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-56.5	-49.7	-179.5	-173.6	-80.5	0	0	0	111.3	E430 V442 A615 W675 N693 D697 N698 K699 W704	E430-Y695 HydrophobicContact CB-CE1 3.94Å; E430-Y695 WeakPolarHBondContact CB-OH 3.44Å; E430-Y695 HydrophobicContact CG-CE1 3.69Å; E430-Y695 WeakPolarHBondContact OE2-CE1 3.42Å; E430-Y695 PolarHBondContact OE2-OH 3.47Å; V442-Y695 HydrophobicContact CG1-CD1 4.39Å; V442-Y695 HydrophobicContact CG1-CD2 3.9Å; V442-Y695 HydrophobicContact CG1-CE2 4.37Å; V442-Y695 HydrophobicContact CG1-CG 3.92Å; V442-Y695 HydrophobicContact CG2-CD1 3.46Å; V442-Y695 VanDerWaalsContact CG2-CD1 3.46Å; V442-Y695 HydrophobicContact CG2-CD2 4.42Å; V442-Y695 HydrophobicContact CG2-CE1 3.86Å; V442-Y695 HydrophobicContact CG2-CG 3.81Å; A615-Y695 HydrophobicContact CB-CE2 3.92Å; A615-Y695 PolarHBondContact N-OH 3.31Å; W675-Y695 AromaticContact CD1-CD2 3.89Å; W675-Y695 AromaticContact CD2-CD2 3.69Å; W675-Y695 HydrophobicContact CD2-CD2 3.69Å; W675-Y695 HydrophobicContact CD2-CG 4.26Å; W675-Y695 AromaticContact CE2-CD2 3.57Å; W675-Y695 HydrophobicContact CE3-CD2 4.31Å; W675-Y695 HydrophobicContact CE3-CG 4.49Å; W675-Y695 AromaticContact CG-CD2 3.85Å; W675-Y695 HydrophobicContact CG-CD2 3.85Å; W675-Y695 HydrophobicContact CZ2-CD2 4.04Å; W675-Y695 VanDerWaalsContact CZ3-CA 3.47Å; W675-Y695 AromaticContact NE1-CD2 3.72Å; N693-Y695 PolarHBondContact O-N 3.43Å; N693-Y695 VanDerWaalsContact O-N 3.15Å; Y695-D697 PolarHBondContact O-N 2.92Å; Y695-N698 PolarHBondContact O-N 3.48Å; Y695-K699 WeakPolarHBondContact O-CB 3.24Å; Y695-K699 PolarHBondContact O-N 3.29Å; Y695-W704 HydrophobicContact CD2-CZ3 4.42Å; Y695-W704 HydrophobicContact CE1-CH2 4.04Å; Y695-W704 HydrophobicContact CE2-CH2 4.23Å; Y695-W704 HydrophobicContact CE2-CZ3 4.2Å; Y695-W704 AromaticContact CZ-CH2 3.88Å
696	W	96.9	Very high	93.6	Very high	23 Å²	23	62.7 Å²	62.7	9%	0.087	33%	0.326	C	S	.	.	H	α-helix	trans	-68.1	-37	-178.8	-59.1	127.7	0	0	0	112.4	E430 R440 V442 F691 N693 R694 N698 K699 A700	E430-W696 VanDerWaalsContact CD-CZ3 3.47Å; E430-W696 HydrophobicContact CG-CH2 3.44Å; E430-W696 VanDerWaalsContact CG-CH2 3.44Å; E430-W696 HydrophobicContact CG-CZ3 3.53Å; R440-W696 HydrophobicContact CB-CH2 3.97Å; R440-W696 HydrophobicContact CB-CZ2 3.99Å; R440-W696 HydrophobicContact CG-CH2 4.05Å; R440-W696 HydrophobicContact CG-CZ2 3.63Å; V442-W696 HydrophobicContact CG2-CD2 4.37Å; V442-W696 HydrophobicContact CG2-CH2 3.66Å; V442-W696 HydrophobicContact CG2-CZ2 3.37Å; V442-W696 HydrophobicContact CG2-CZ3 4.28Å; F691-W696 AromaticContact CE1-CD1 3.61Å; F691-W696 AromaticContact CE1-NE1 3.62Å; F691-W696 AromaticContact CZ-CD1 3.57Å; F691-W696 HydrophobicContact CZ-CG 4.41Å; F691-W696 AromaticContact CZ-NE1 3.59Å; N693-W696 PolarHBondContact O-N 2.8Å; R694-W696 VanDerWaalsContact C-N 3.34Å; R694-W696 PolarHBondContact O-N 3.09Å; W696-N698 VanDerWaalsContact C-N 3.32Å; W696-N698 PolarHBondContact O-N 2.67Å; W696-K699 HydrophobicContact CE3-CD 4.14Å; W696-K699 HydrophobicContact CZ3-CD 4.13Å; W696-K699 PolarHBondContact O-N 2.97Å; W696-A700 WeakPolarHBondContact O-CB 2.99Å; W696-A700 PolarHBondContact O-N 2.88Å
697	D	96.7	Very high	94.6	Very high	80 Å²	80	62.2 Å²	62.2	43%	0.428	32%	0.319	S	S	.	.	H	α-helix	trans	-62.3	-40.5	174.5	-65	-27.7	0	0	0	111.8	R694 Y695 R701	R694-D697 PolarHBondContact O-N 3.03Å; Y695-D697 PolarHBondContact O-N 2.92Å; D697-R701 WeakPolarHBondContact O-CG 3.46Å; D697-R701 PolarHBondContact O-N 2.95Å
698	N	97.9	Very high	95.3	Very high	12 Å²	12	60.8 Å²	60.8	6%	0.064	31%	0.311	C	S	.	.	H	α-helix	trans	-71.3	-41.4	178.6	-79.2	-108.8	0	0	0	110.4	W675 R694 Y695 W696 A700 R701 Q702 D703 W704	W675-N698 HydrophobicContact CH2-CB 3.86Å; W675-N698 HydrophobicContact CZ3-CB 4.15Å; R694-N698 WeakPolarHBondContact O-CB 3.16Å; R694-N698 PolarHBondContact O-N 3.07Å; R694-N698 PolarHBondContact O-ND2 2.84Å; Y695-N698 PolarHBondContact O-N 3.48Å; W696-N698 VanDerWaalsContact C-N 3.32Å; W696-N698 PolarHBondContact O-N 2.67Å; N698-A700 PolarHBondContact O-N 2.79Å; N698-R701 CarbonylContact O-C 3.59Å; N698-R701 PolarHBondContact O-N 3.07Å; N698-Q702 WeakPolarHBondContact O-CA 3.47Å; N698-Q702 PolarHBondContact O-N 2.77Å; N698-D703 WeakPolarHBondContact CB-O 3.24Å; N698-D703 PolarHBondContact O-N 2.88Å; N698-D703 PolarHBondContact OD1-O 2.95Å; N698-W704 HydrophobicContact CB-CE3 4.15Å; N698-W704 HydrophobicContact CB-CZ3 3.83Å
699	K	97.1	Very high	95.8	Very high	37 Å²	37	66 Å²	66	16%	0.161	34%	0.339	C	S	.	.	H	α-helix	trans	-57.8	-47.4	172.2	-172.9	174.3	-173.3	175	0	112.3	E430 Y695 W696 R701 Q702 W704	E430-K699 IonicContact OE1-NZ 3.24Å; E430-K699 PolarHBondContact OE1-NZ 2.92Å; E430-K699 WeakPolarHBondContact OE2-CD 3.46Å; E430-K699 VanDerWaalsContact OE2-CE 3.28Å; E430-K699 WeakPolarHBondContact OE2-CE 3.5Å; E430-K699 IonicContact OE2-NZ 3.7Å; E430-K699 PolarHBondContact OE2-NZ 2.89Å; Y695-K699 WeakPolarHBondContact O-CB 3.24Å; Y695-K699 PolarHBondContact O-N 3.29Å; W696-K699 HydrophobicContact CE3-CD 4.14Å; W696-K699 HydrophobicContact CZ3-CD 4.13Å; W696-K699 PolarHBondContact O-N 2.97Å; K699-R701 PolarHBondContact O-N 3.33Å; K699-Q702 PolarHBondContact O-N 2.93Å; K699-Q702 PolarHBondContact O-NE2 3.25Å; K699-W704 HydrophobicContact CB-CH2 3.65Å; K699-W704 HydrophobicContact CB-CZ2 3.86Å; K699-W704 HydrophobicContact CG-CH2 4.3Å; K699-W704 HydrophobicContact CG-CZ2 4.08Å
700	A	96.2	Very high	96.1	Very high	89 Å²	89	66.2 Å²	66.2	74%	0.736	34%	0.341	S	S	*	.	H	α-helix	trans	-60.6	-32.7	-179.6	0	0	0	0	0	112.2	W696 N698	W696-A700 WeakPolarHBondContact O-CB 2.99Å; W696-A700 PolarHBondContact O-N 2.88Å; N698-A700 PolarHBondContact O-N 2.79Å
701	R	97.4	Very high	96.3	Very high	178 Å²	178	62.1 Å²	62.1	67%	0.672	32%	0.322	S	S	*	.	H	α-helix	trans	-88.1	-9.1	175.6	-63.8	177	-167.3	137.1	7.7	113.9	D697 N698 K699 D703	D697-R701 WeakPolarHBondContact O-CG 3.46Å; D697-R701 PolarHBondContact O-N 2.95Å; N698-R701 CarbonylContact O-C 3.59Å; N698-R701 PolarHBondContact O-N 3.07Å; K699-R701 PolarHBondContact O-N 3.33Å; R701-D703 HydrophobicContact CB-CB 4.25Å; R701-D703 PolarHBondContact O-N 3.25Å
702	Q	97.5	Very high	96.4	Very high	103 Å²	103	64.7 Å²	64.7	48%	0.481	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	36.7	-168.8	-65.5	-70.4	-68.4	0	0	112.7	G613 N698 K699	G613-Q702 PolarHBondContact O-NE2 3.25Å; N698-Q702 WeakPolarHBondContact O-CA 3.47Å; N698-Q702 PolarHBondContact O-N 2.77Å; K699-Q702 PolarHBondContact O-N 2.93Å; K699-Q702 PolarHBondContact O-NE2 3.25Å
703	D	97.9	Very high	96.4	Very high	67 Å²	67	66 Å²	66	36%	0.358	34%	0.343	S	S	.	.			trans	-104.7	107.9	178.3	-179.7	5.6	0	0	0	110	N698 R701 S705	N698-D703 WeakPolarHBondContact CB-O 3.24Å; N698-D703 PolarHBondContact O-N 2.88Å; N698-D703 PolarHBondContact OD1-O 2.95Å; R701-D703 HydrophobicContact CB-CB 4.25Å; R701-D703 PolarHBondContact O-N 3.25Å; D703-S705 VanDerWaalsContact OD1-CB 3.22Å; D703-S705 WeakPolarHBondContact OD1-CB 3.46Å; D703-S705 PolarHBondContact OD1-N 2.93Å; D703-S705 PolarHBondContact OD1-OG 3.35Å
704	W	97.7	Very high	96.5	Very high	41 Å²	41	65.1 Å²	65.1	16%	0.155	34%	0.337	C	S	.	.			trans	-112.9	18.9	178.1	-55.2	121.4	0	0	0	112.6	G613 V614 A615 P616 W675 Y695 N698 K699 L706 C707	G613-W704 WeakPolarHBondContact O-CZ2 3.41Å; V614-W704 PolarHBondContact O-NE1 3.14Å; A615-W704 HydrophobicContact CB-CD2 4.11Å; A615-W704 HydrophobicContact CB-CE3 3.88Å; A615-W704 HydrophobicContact CB-CH2 4.13Å; A615-W704 HydrophobicContact CB-CZ2 4.36Å; A615-W704 HydrophobicContact CB-CZ3 3.9Å; P616-W704 HydrophobicContact CG-CB 4.1Å; W675-W704 HydrophobicContact CH2-CE3 4.32Å; W675-W704 HydrophobicContact CH2-CZ3 4.06Å; W675-W704 HydrophobicContact CZ2-CE3 4.24Å; W675-W704 HydrophobicContact CZ2-CZ3 4.02Å; Y695-W704 HydrophobicContact CD2-CZ3 4.42Å; Y695-W704 HydrophobicContact CE1-CH2 4.04Å; Y695-W704 HydrophobicContact CE2-CH2 4.23Å; Y695-W704 HydrophobicContact CE2-CZ3 4.2Å; Y695-W704 AromaticContact CZ-CH2 3.88Å; N698-W704 HydrophobicContact CB-CE3 4.15Å; N698-W704 HydrophobicContact CB-CZ3 3.83Å; K699-W704 HydrophobicContact CB-CH2 3.65Å; K699-W704 HydrophobicContact CB-CZ2 3.86Å; K699-W704 HydrophobicContact CG-CH2 4.3Å; K699-W704 HydrophobicContact CG-CZ2 4.08Å; W704-L706 PolarHBondContact O-N 3.16Å; W704-L706 VanDerWaalsContact O-N 3.08Å; W704-C707 HydrophobicContact CB-CB 4.49Å; W704-C707 WeakPolarHBondContact O-CB 3.23Å; W704-C707 PolarHBondContact O-N 3.2Å
705	S	96.8	Very high	96.5	Very high	94 Å²	94	63.1 Å²	63.1	66%	0.657	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-22.5	-178.4	58.2	0	0	0	0	114.1	D703	D703-S705 VanDerWaalsContact OD1-CB 3.22Å; D703-S705 WeakPolarHBondContact OD1-CB 3.46Å; D703-S705 PolarHBondContact OD1-N 2.93Å; D703-S705 PolarHBondContact OD1-OG 3.35Å
706	L	94.9	Very high	96.4	Very high	84 Å²	84	67 Å²	67	44%	0.44	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83	-16	176.9	-63.3	173.6	0	0	0	113.8	L674 W704	L674-L706 HydrophobicContact CD1-CB 4.15Å; L674-L706 HydrophobicContact CD1-CD1 4.42Å; L674-L706 HydrophobicContact CD2-CB 3.77Å; L674-L706 WeakPolarHBondContact CD2-O 3.45Å; W704-L706 PolarHBondContact O-N 3.16Å; W704-L706 VanDerWaalsContact O-N 3.08Å
707	C	96.5	Very high	96.4	Very high	19 Å²	19	69.9 Å²	69.9	13%	0.128	37%	0.374	C	S	.	.	S	Bend	trans	-72	131.2	-178.1	-77.2	0	0	0	0	110.6	P616 T617 W704	P616-C707 HydrophobicContact CG-CB 3.62Å; T617-C707 HydrophobicContact CG2-CB 4.07Å; W704-C707 HydrophobicContact CB-CB 4.49Å; W704-C707 WeakPolarHBondContact O-CB 3.23Å; W704-C707 PolarHBondContact O-N 3.2Å
708	P	93.7	Very high	96.4	Very high	61 Å²	61	69.2 Å²	69.2	40%	0.396	37%	0.37	S	S	.	.			trans	-70.3	153.6	171.6	29.1	-33.1	0	0	0	111.3	T617 I710	T617-P708 HydrophobicContact CG2-CG 4.32Å; T617-P708 VanDerWaalsContact CG2-O 3.26Å; T617-P708 WeakPolarHBondContact CG2-O 3.36Å; P708-I710 HydrophobicContact CB-CG2 4.09Å; P708-I710 HydrophobicContact CG-CG2 3.83Å; P708-I710 PolarHBondContact O-N 2.57Å
709	D	95.1	Very high	96.2	Very high	130 Å²	130	73.6 Å²	73.6	70%	0.695	39%	0.394	S	S	*	.			trans	-81.9	96.2	170.3	173.6	33.1	0	0	0	110.8	K646	K646-D709 PolarHBondContact NZ-O 3.48Å; K646-D709 IonicContact NZ-OD1 3.61Å; K646-D709 PolarHBondContact NZ-OD1 2.9Å; K646-D709 IonicContact NZ-OD2 2.69Å; K646-D709 PolarHBondContact NZ-OD2 3.34Å
710	I	95.3	Very high	96.2	Very high	20 Å²	20	76.7 Å²	76.7	10%	0.103	41%	0.413	C	S	.	.			trans	-102	-12	-175.3	67.9	176.5	0	0	0	114.4	L424 E427 T617 P708	L424-I710 HydrophobicContact CB-CD1 4.46Å; L424-I710 WeakPolarHBondContact CD1-O 3.28Å; E427-I710 VanDerWaalsContact CA-CD1 3.42Å; E427-I710 HydrophobicContact CB-CD1 3.98Å; E427-I710 HydrophobicContact CG-CD1 4.47Å; T617-I710 HydrophobicContact CG2-CD1 3.77Å; T617-I710 HydrophobicContact CG2-CG1 3.98Å; T617-I710 HydrophobicContact CG2-CG2 4.39Å; P708-I710 HydrophobicContact CB-CG2 4.09Å; P708-I710 HydrophobicContact CG-CG2 3.83Å; P708-I710 PolarHBondContact O-N 2.57Å
711	Y	95.2	Very high	96.2	Very high	34 Å²	34	75.5 Å²	75.5	13%	0.133	38%	0.384	C	S	.	.			trans	-102.4	0	-177.2	-64.2	-42.2	0	0	0	113.5	L424 E427 P616 T617 D618 S619 N621 R622 R642 L643 K646	L424-Y711 HydrophobicContact CD1-CD1 3.7Å; L424-Y711 HydrophobicContact CD1-CE1 3.71Å; L424-Y711 HydrophobicContact CG-CE1 4.46Å; E427-Y711 WeakPolarHBondContact CG-OH 3.44Å; P616-Y711 WeakPolarHBondContact O-CD2 3.37Å; P616-Y711 VanDerWaalsContact O-CE2 3.3Å; P616-Y711 WeakPolarHBondContact O-CE2 2.71Å; T617-Y711 PolarHBondContact O-OH 3.04Å; D618-Y711 WeakPolarHBondContact O-CE2 3.39Å; D618-Y711 PolarHBondContact O-OH 3.33Å; D618-Y711 VanDerWaalsContact O-OH 3.1Å; S619-Y711 WeakPolarHBondContact CA-OH 3.05Å; N621-Y711 HydrophobicContact CB-CD2 4.19Å; N621-Y711 HydrophobicContact CB-CE2 3.89Å; R622-Y711 HydrophobicContact CB-CD1 4.32Å; R622-Y711 HydrophobicContact CB-CE1 3.62Å; R622-Y711 HydrophobicContact CB-CE2 4.41Å; R622-Y711 HydrophobicContact CG-CD1 4.34Å; R622-Y711 HydrophobicContact CG-CE1 3.81Å; R642-Y711 PolarHBondContact NH1-OXT 3.1Å; R642-Y711 PolarHBondContact NH2-OXT 3.02Å; L643-Y711 HydrophobicContact CD2-CD1 4.22Å; L643-Y711 WeakPolarHBondContact CD2-OXT 3.41Å; K646-Y711 PolarHBondContact NZ-O 2.93Å

Retrieved 711 of 711 residues in 144.5 ms (Link to these results)

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