A0A087XRC4_POEFO Loading...

Serine/threonine-protein kinase haspin

Serine/threonine-protein kinase that phosphorylates histone H3 at 'Thr-3' (H3T3ph) during mitosis. May act through H3T3ph to both position and modulate activation of AURKB and other components of the chromosomal passenger complex (CPC) at centromeres to ensure proper chromatid cohesion, metaphase alignment and normal progression through the cell cycle.

AlphaFold DB , UniProt , Accession A0A087XRC4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 383 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	29.9	Very low	27.2	Very low	234 Å²	234	165.6 Å²	165.6	100%	1.153	85%	0.849	S	S	*	*				0	120.5	0	-86.9	-171.3	-145.1	0	0	107.3
2	R	28.8	Very low	27	Very low	229 Å²	229	161.8 Å²	161.8	86%	0.864	84%	0.84	S	S	*	*			cis	-146.6	142.8	-5.3	-81.4	-179.6	179.8	172.8	-1.8	105.4
3	L	24.2	Very low	27	Very low	169 Å²	169	159 Å²	159	89%	0.885	83%	0.834	S	S	*	*			trans	-62.5	146.9	164.4	-73.7	144.6	0	0	0	109.5
4	P	28.6	Very low	27.2	Very low	124 Å²	124	155.9 Å²	155.9	81%	0.805	83%	0.828	S	S	*	*			trans	-85.5	117.9	160.2	13.5	3.9	0	0	0	110.2
5	D	24.5	Very low	27.5	Very low	154 Å²	154	156.9 Å²	156.9	82%	0.824	83%	0.833	S	S	*	*			trans	-2.9	122.4	158.3	-111.2	-31.9	0	0	0	119.4
6	V	28.8	Very low	28.3	Very low	141 Å²	141	161.6 Å²	161.6	86%	0.855	84%	0.836	S	S	*	*			trans	-85.5	106.8	156.2	174.5	0	0	0	0	106.3
7	S	26	Very low	28.7	Very low	96 Å²	96	158.8 Å²	158.8	67%	0.671	83%	0.828	S	S	*	*			trans	-114.4	100.1	172.5	176.6	0	0	0	0	109.8
8	Q	29.4	Very low	28.9	Very low	170 Å²	170	155.3 Å²	155.3	79%	0.794	82%	0.816	S	S	*	*			trans	29.7	90.6	137.5	-64.7	179.7	-18.7	0	0	117.5
9	D	25.8	Very low	29.6	Very low	151 Å²	151	150.7 Å²	150.7	81%	0.807	79%	0.792	S	S	*	*			trans	-141.3	37.9	152.9	-90.3	-30.4	0	0	0	110
10	L	25.3	Very low	30.2	Very low	154 Å²	154	144.4 Å²	144.4	81%	0.806	76%	0.76	S	S	*	*			trans	-94.1	15.7	-176.6	-94.8	163.8	0	0	0	114.5
11	F	28	Very low	30.7	Very low	200 Å²	200	145.3 Å²	145.3	88%	0.877	76%	0.758	S	S	*	*			trans	-141.1	62.6	175.4	-62.3	-75.8	0	0	0	110.9	T13	F11-T13 PolarHBondContact O-N 3.11Å
12	T	24.4	Very low	31.4	Very low	120 Å²	120	140.6 Å²	140.6	74%	0.736	73%	0.727	S	S	*	*			trans	-84.1	104.5	158.3	49.1	0	0	0	0	108.3
13	T	27.6	Very low	32	Very low	125 Å²	125	131.5 Å²	131.5	77%	0.767	70%	0.696	S	S	*	*			trans	-25.1	133.6	161.1	-6	0	0	0	0	112.8	F11 L15	F11-T13 PolarHBondContact O-N 3.11Å; T13-L15 PolarHBondContact O-N 2.89Å
14	P	30	Very low	32.8	Very low	116 Å²	116	128.1 Å²	128.1	75%	0.753	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-59.8	135.6	171.5	23.7	-30	0	0	0	109.6	R16	P14-R16 PolarHBondContact O-N 2.83Å
15	L	30.9	Very low	33.2	Very low	171 Å²	171	124.9 Å²	124.9	90%	0.895	66%	0.659	S	S	*	*	P	Polyproline II helix	trans	-59.1	129.4	174.8	-99.9	108.6	0	0	0	109.7	T13	T13-L15 PolarHBondContact O-N 2.89Å
16	R	39.8	Very low	34	Very low	232 Å²	232	123.5 Å²	123.5	88%	0.875	65%	0.647	S	S	*	*	P	Polyproline II helix	trans	-56.8	127.2	-177.6	-61.6	172	178.5	179.4	-4.5	111.5	P14	P14-R16 PolarHBondContact O-N 2.83Å
17	T	36.7	Very low	34.5	Very low	114 Å²	114	122 Å²	122	70%	0.699	63%	0.634	S	S	*	*			trans	-105.3	114.8	169.1	-0.8	0	0	0	0	108.4	L285	T17-L285 HydrophobicContact CG2-CD2 3.99Å
18	P	32.3	Very low	35.2	Very low	96 Å²	96	124 Å²	124	62%	0.623	64%	0.636	S	S	*	*	P	Polyproline II helix	trans	-67.1	148	176.1	14.4	-13.2	0	0	0	111.4	L285	P18-L285 VanDerWaalsContact O-CD1 3.29Å; P18-L285 WeakPolarHBondContact O-CD1 3.12Å
19	L	40.5	Very low	35.6	Very low	67 Å²	67	124.2 Å²	124.2	35%	0.351	64%	0.637	S	S	.	*	P	Polyproline II helix	trans	-60.5	140.7	174.6	-87.1	98.4	0	0	0	111.4	K21 L23	L19-K21 PolarHBondContact O-N 3.49Å; L19-L23 HydrophobicContact CD2-CB 4.03Å; L19-L23 HydrophobicContact CD2-CD1 4.33Å
20	P	42.1	Very low	36.3	Very low	25 Å²	25	124.8 Å²	124.8	16%	0.162	64%	0.635	C	S	.	*	P	Polyproline II helix	trans	-52.1	136.9	166.6	-22.6	27.9	0	0	0	111.8	R22 L23 Q24 L285	P20-R22 PolarHBondContact O-N 3.07Å; P20-R22 VanDerWaalsContact O-N 3.07Å; P20-L23 HydrophobicContact CB-CD1 4.31Å; P20-L23 HydrophobicContact CG-CD1 3.9Å; P20-L23 WeakPolarHBondContact O-CB 3.34Å; P20-L23 PolarHBondContact O-N 3.42Å; P20-Q24 PolarHBondContact O-N 2.57Å; P20-L285 HydrophobicContact CB-CD1 4.18Å; P20-L285 HydrophobicContact CG-CD1 3.63Å
21	K	40.8	Very low	36.7	Very low	164 Å²	164	125.2 Å²	125.2	71%	0.713	63%	0.633	S	S	*	*	H	α-helix	trans	-60.7	-23.5	-178.4	-72.1	177	-179.1	168.4	0	112.9	L19 Q24 A25	L19-K21 PolarHBondContact O-N 3.49Å; K21-Q24 WeakPolarHBondContact O-CB 3.47Å; K21-Q24 PolarHBondContact O-N 2.95Å; K21-A25 PolarHBondContact O-N 2.97Å
22	R	44.5	Very low	36.8	Very low	135 Å²	135	121.4 Å²	121.4	51%	0.509	63%	0.631	S	S	.	*	H	α-helix	trans	-71.2	-32.5	176.9	-155.2	174.5	-179.7	-160.2	-2.8	112.9	P20 A25 Q26	P20-R22 PolarHBondContact O-N 3.07Å; P20-R22 VanDerWaalsContact O-N 3.07Å; R22-A25 PolarHBondContact O-N 2.58Å; R22-Q26 PolarHBondContact O-N 3.31Å; R22-Q26 VanDerWaalsContact O-N 3.12Å
23	L	42.7	Very low	37.4	Very low	38 Å²	38	123.8 Å²	123.8	20%	0.199	64%	0.638	C	S	.	*	H	α-helix	trans	-67.6	-38.5	170.7	-83.8	158.2	0	0	0	111.2	L19 P20 A25 Q26 L27	L19-L23 HydrophobicContact CD2-CB 4.03Å; L19-L23 HydrophobicContact CD2-CD1 4.33Å; P20-L23 HydrophobicContact CB-CD1 4.31Å; P20-L23 HydrophobicContact CG-CD1 3.9Å; P20-L23 WeakPolarHBondContact O-CB 3.34Å; P20-L23 PolarHBondContact O-N 3.42Å; L23-A25 VanDerWaalsContact C-N 3.3Å; L23-A25 PolarHBondContact O-N 2.88Å; L23-Q26 PolarHBondContact O-N 3.22Å; L23-L27 WeakPolarHBondContact O-CD1 3.3Å; L23-L27 WeakPolarHBondContact O-CG 3.19Å; L23-L27 PolarHBondContact O-N 3.38Å
24	Q	39.7	Very low	37.5	Very low	97 Å²	97	123.2 Å²	123.2	45%	0.453	63%	0.634	S	S	.	*	H	α-helix	trans	-61.5	-38.3	171.2	-67.4	178.3	-19.1	0	0	112	P20 K21 L27 L28	P20-Q24 PolarHBondContact O-N 2.57Å; K21-Q24 WeakPolarHBondContact O-CB 3.47Å; K21-Q24 PolarHBondContact O-N 2.95Å; Q24-L27 PolarHBondContact O-N 3.34Å; Q24-L28 WeakPolarHBondContact O-CD1 3.38Å; Q24-L28 WeakPolarHBondContact O-CG 3.43Å; Q24-L28 PolarHBondContact O-N 3.14Å; Q24-L28 VanDerWaalsContact O-N 3.14Å
25	A	37	Very low	37.8	Very low	56 Å²	56	124.2 Å²	124.2	46%	0.463	64%	0.638	S	S	.	*	H	α-helix	trans	-71.7	-32.6	-179.2	0	0	0	0	0	113.9	K21 R22 L23	K21-A25 PolarHBondContact O-N 2.97Å; R22-A25 PolarHBondContact O-N 2.58Å; L23-A25 VanDerWaalsContact C-N 3.3Å; L23-A25 PolarHBondContact O-N 2.88Å
26	Q	40.6	Very low	38	Very low	125 Å²	125	121 Å²	121	58%	0.584	63%	0.629	S	S	*	*	H	α-helix	trans	-70.6	-35.8	174.1	-76.4	177.9	-29.4	0	0	112	R22 L23 H29	R22-Q26 PolarHBondContact O-N 3.31Å; R22-Q26 VanDerWaalsContact O-N 3.12Å; L23-Q26 PolarHBondContact O-N 3.22Å; Q26-H29 PolarHBondContact O-N 2.91Å
27	L	41	Very low	37.9	Very low	109 Å²	109	118.5 Å²	118.5	57%	0.571	63%	0.627	S	S	*	*	H	α-helix	trans	-68.3	-34.4	174.9	-72.6	162.4	0	0	0	112.9	L23 Q24 H29	L23-L27 WeakPolarHBondContact O-CD1 3.3Å; L23-L27 WeakPolarHBondContact O-CG 3.19Å; L23-L27 PolarHBondContact O-N 3.38Å; Q24-L27 PolarHBondContact O-N 3.34Å; L27-H29 PolarHBondContact O-N 2.88Å
28	L	39	Very low	38.2	Very low	138 Å²	138	120.6 Å²	120.6	72%	0.723	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.4	-17.1	179.3	-79.2	162.9	0	0	0	113.9	Q24	Q24-L28 WeakPolarHBondContact O-CD1 3.38Å; Q24-L28 WeakPolarHBondContact O-CG 3.43Å; Q24-L28 PolarHBondContact O-N 3.14Å; Q24-L28 VanDerWaalsContact O-N 3.14Å
29	H	38.8	Very low	39.3	Very low	175 Å²	175	120.1 Å²	120.1	81%	0.81	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.5	-9.4	-175.2	-133.1	-28.7	0	0	0	114.4	Q26 L27	Q26-H29 PolarHBondContact O-N 2.91Å; L27-H29 PolarHBondContact O-N 2.88Å
30	Q	40.2	Very low	41.3	Very low	163 Å²	163	123.6 Å²	123.6	76%	0.762	66%	0.657	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.6	-8.2	-175	-78.1	-172.3	-13.7	0	0	116.7
31	H	33.7	Very low	43.5	Very low	164 Å²	164	125.2 Å²	125.2	76%	0.759	66%	0.664	S	S	*	*			trans	-136.5	129.1	-179.6	-83.2	-96.4	0	0	0	113.9	L33	H31-L33 PolarHBondContact O-N 3.11Å
32	S	30.3	Very low	46	Very low	120 Å²	120	121 Å²	121	84%	0.839	65%	0.652	S	S	*	*			trans	-53.4	132.3	164.3	-80.7	0	0	0	0	110.8	V34	S32-V34 PolarHBondContact O-N 2.74Å
33	L	37.3	Very low	48.5	Very low	170 Å²	170	118 Å²	118	89%	0.89	65%	0.646	S	S	*	*			trans	-11.8	92.2	164.9	-72.6	154.8	0	0	0	115.3	H31	H31-L33 PolarHBondContact O-N 3.11Å
34	V	29.7	Very low	51	Low	113 Å²	113	117.2 Å²	117.2	69%	0.685	65%	0.645	S	S	*	*			trans	-123.7	114.6	140.5	-176.8	0	0	0	0	104.7	S32 C36	S32-V34 PolarHBondContact O-N 2.74Å; V34-C36 PolarHBondContact O-N 2.99Å
35	V	36.1	Very low	53.8	Low	137 Å²	137	116.8 Å²	116.8	83%	0.83	64%	0.643	S	S	*	*			trans	-66.3	88.6	165.2	177.4	0	0	0	0	105.2
36	C	34.9	Very low	56.6	Low	104 Å²	104	117.6 Å²	117.6	70%	0.703	64%	0.636	S	S	*	*			trans	-81.1	119.9	165.7	-75.8	0	0	0	0	106.6	V34	V34-C36 PolarHBondContact O-N 2.99Å
37	E	38.5	Very low	59.3	Low	178 Å²	178	111.7 Å²	111.7	83%	0.832	61%	0.608	S	S	*	*			trans	-46.9	143	166.5	-65.2	169.6	141.9	0	0	110	A39	E37-A39 PolarHBondContact O-N 3.2Å
38	D	42.4	Very low	62	Low	159 Å²	159	108.2 Å²	108.2	85%	0.85	59%	0.588	S	S	*	*			trans	-44.6	91.6	176.2	-78.9	-44.6	0	0	0	111.9
39	A	56.4	Low	64.7	Low	85 Å²	85	104.1 Å²	104.1	70%	0.702	57%	0.574	S	S	*	*			trans	-90.8	109.9	161	0	0	0	0	0	106.4	E37 L41	E37-A39 PolarHBondContact O-N 3.2Å; A39-L41 PolarHBondContact O-N 2.88Å; A39-L41 VanDerWaalsContact O-N 3.07Å
40	D	80.7	Confident	67.5	Low	141 Å²	141	97 Å²	97	75%	0.754	54%	0.541	S	S	*	.			trans	-55.5	114.3	174.5	-73.8	-35.2	0	0	0	108.8	T42	D40-T42 PolarHBondContact O-N 3.03Å
41	L	88.3	Confident	70.2	Confident	58 Å²	58	89.9 Å²	89.9	30%	0.304	51%	0.509	S	S	.	.			trans	-60.1	136.9	174.1	-64.2	175.8	0	0	0	109.3	A39 E45 K46	A39-L41 PolarHBondContact O-N 2.88Å; A39-L41 VanDerWaalsContact O-N 3.07Å; L41-E45 HydrophobicContact CB-CB 4.1Å; L41-E45 HydrophobicContact CD2-CB 4.14Å; L41-K46 HydrophobicContact CB-CG 4.01Å; L41-K46 WeakPolarHBondContact O-CE 3.29Å
42	T	94.8	Very high	73.2	Confident	77 Å²	77	85.5 Å²	85.5	47%	0.472	51%	0.508	S	S	.	.			trans	-63.4	159.5	167.3	62.4	0	0	0	0	110.6	D40 A44 E45 K46	D40-T42 PolarHBondContact O-N 3.03Å; T42-A44 PolarHBondContact O-N 3.13Å; T42-E45 WeakPolarHBondContact CB-OE2 3.39Å; T42-E45 WeakPolarHBondContact CG2-OE2 3.39Å; T42-E45 PolarHBondContact N-OE2 3.42Å; T42-E45 PolarHBondContact O-N 3.17Å; T42-E45 VanDerWaalsContact O-N 3.11Å; T42-E45 WeakPolarHBondContact OG1-CB 3.06Å; T42-E45 VanDerWaalsContact OG1-CD 3.28Å; T42-E45 VanDerWaalsContact OG1-CG 3.23Å; T42-E45 WeakPolarHBondContact OG1-CG 3.41Å; T42-E45 PolarHBondContact OG1-N 3.34Å; T42-E45 PolarHBondContact OG1-OE2 3.13Å; T42-K46 WeakPolarHBondContact O-CG 3.25Å; T42-K46 PolarHBondContact O-N 3.12Å
43	D	96.1	Very high	76.4	Confident	70 Å²	70	80.6 Å²	80.6	37%	0.374	47%	0.472	S	S	.	.	H	α-helix	trans	-63.6	-32.8	179.8	-65.5	-26.5	0	0	0	112.4	K46 V47 F114 L118	D43-K46 PolarHBondContact O-N 2.87Å; D43-K46 IonicContact OD1-NZ 3.31Å; D43-K46 PolarHBondContact OD1-NZ 2.83Å; D43-V47 WeakPolarHBondContact O-CG2 3.22Å; D43-V47 PolarHBondContact O-N 2.96Å; D43-F114 HydrophobicContact CB-CB 3.86Å; D43-L118 HydrophobicContact CB-CD1 4.29Å
44	A	96.5	Very high	79.1	Confident	22 Å²	22	81.2 Å²	81.2	18%	0.182	47%	0.471	C	S	.	.	H	α-helix	trans	-60.8	-47.9	171.1	0	0	0	0	0	111.8	T42 K46 V47 Y48 F114	T42-A44 PolarHBondContact O-N 3.13Å; A44-K46 VanDerWaalsContact C-N 3.3Å; A44-K46 PolarHBondContact O-N 2.67Å; A44-V47 PolarHBondContact O-N 2.93Å; A44-Y48 HydrophobicContact CB-CE2 4.07Å; A44-Y48 WeakPolarHBondContact O-CD1 3.41Å; A44-Y48 WeakPolarHBondContact O-CD2 3.42Å; A44-Y48 PolarHBondContact O-N 3.48Å; A44-F114 HydrophobicContact CB-CD2 3.61Å; A44-F114 HydrophobicContact CB-CE2 3.62Å; A44-F114 HydrophobicContact CB-CG 4.15Å; A44-F114 HydrophobicContact CB-CZ 4.18Å
45	E	96.6	Very high	82.3	Confident	89 Å²	89	79.4 Å²	79.4	42%	0.416	46%	0.462	S	S	.	.	H	α-helix	trans	-63.1	-35.9	177.7	-73.3	165.3	140.7	0	0	112.2	L41 T42 A49	L41-E45 HydrophobicContact CB-CB 4.1Å; L41-E45 HydrophobicContact CD2-CB 4.14Å; T42-E45 WeakPolarHBondContact CB-OE2 3.39Å; T42-E45 WeakPolarHBondContact CG2-OE2 3.39Å; T42-E45 PolarHBondContact N-OE2 3.42Å; T42-E45 PolarHBondContact O-N 3.17Å; T42-E45 VanDerWaalsContact O-N 3.11Å; T42-E45 WeakPolarHBondContact OG1-CB 3.06Å; T42-E45 VanDerWaalsContact OG1-CD 3.28Å; T42-E45 VanDerWaalsContact OG1-CG 3.23Å; T42-E45 WeakPolarHBondContact OG1-CG 3.41Å; T42-E45 PolarHBondContact OG1-N 3.34Å; T42-E45 PolarHBondContact OG1-OE2 3.13Å; E45-A49 VanDerWaalsContact O-CB 3.28Å; E45-A49 WeakPolarHBondContact O-CB 3.37Å; E45-A49 PolarHBondContact O-N 2.67Å
46	K	96.4	Very high	85.2	Confident	73 Å²	73	74.1 Å²	74.1	32%	0.317	43%	0.43	S	S	.	.	H	α-helix	trans	-62.9	-47.5	172.6	-66.1	172.4	-163.8	156.2	0	111.1	L41 T42 D43 A44 Y48 A49 E50 L118	L41-K46 HydrophobicContact CB-CG 4.01Å; L41-K46 WeakPolarHBondContact O-CE 3.29Å; T42-K46 WeakPolarHBondContact O-CG 3.25Å; T42-K46 PolarHBondContact O-N 3.12Å; D43-K46 PolarHBondContact O-N 2.87Å; D43-K46 IonicContact OD1-NZ 3.31Å; D43-K46 PolarHBondContact OD1-NZ 2.83Å; A44-K46 VanDerWaalsContact C-N 3.3Å; A44-K46 PolarHBondContact O-N 2.67Å; K46-Y48 PolarHBondContact O-N 3Å; K46-A49 WeakPolarHBondContact O-CB 3.41Å; K46-A49 PolarHBondContact O-N 3.23Å; K46-E50 WeakPolarHBondContact O-CG 2.99Å; K46-E50 PolarHBondContact O-N 2.97Å; K46-L118 HydrophobicContact CB-CD1 3.93Å; K46-L118 HydrophobicContact CB-CD2 3.99Å; K46-L118 HydrophobicContact CD-CD1 3.95Å
47	V	97.8	Very high	88.2	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	41%	0.408	C	S	.	.	H	α-helix	trans	-61.6	-44.7	177.8	169.1	0	0	0	0	111	D43 A44 A49 E50 C51 F114 I117 L118 I121 I188	D43-V47 WeakPolarHBondContact O-CG2 3.22Å; D43-V47 PolarHBondContact O-N 2.96Å; A44-V47 PolarHBondContact O-N 2.93Å; V47-A49 VanDerWaalsContact C-N 3.33Å; V47-A49 PolarHBondContact O-N 3.48Å; V47-E50 PolarHBondContact O-N 2.9Å; V47-C51 PolarHBondContact O-N 3.13Å; V47-C51 PolarHBondContact O-SG 2.91Å; V47-F114 HydrophobicContact CB-CD1 3.84Å; V47-F114 HydrophobicContact CB-CE1 4.34Å; V47-F114 HydrophobicContact CG1-CD1 3.93Å; V47-F114 HydrophobicContact CG1-CE1 4.1Å; V47-F114 HydrophobicContact CG2-CB 4.14Å; V47-F114 HydrophobicContact CG2-CD1 3.81Å; V47-F114 HydrophobicContact CG2-CG 4.41Å; V47-I117 HydrophobicContact CG2-CG2 4.12Å; V47-L118 HydrophobicContact CB-CD2 4.49Å; V47-L118 HydrophobicContact CG2-CD1 4.3Å; V47-L118 HydrophobicContact CG2-CD2 3.53Å; V47-L118 HydrophobicContact CG2-CG 3.56Å; V47-I121 HydrophobicContact CG1-CD1 4.13Å; V47-I121 HydrophobicContact CG2-CD1 4.3Å; V47-I188 HydrophobicContact CG1-CD1 3.62Å; V47-I188 HydrophobicContact CG1-CG1 4.43Å
48	Y	97.4	Very high	91	Very high	37 Å²	37	64.5 Å²	64.5	15%	0.145	38%	0.38	C	S	.	.	H	α-helix	trans	-62.7	-41	177	-56.1	-23.1	0	0	0	111.4	A44 K46 E50 C51 G52 Q53 P56 F114 C149	A44-Y48 HydrophobicContact CB-CE2 4.07Å; A44-Y48 WeakPolarHBondContact O-CD1 3.41Å; A44-Y48 WeakPolarHBondContact O-CD2 3.42Å; A44-Y48 PolarHBondContact O-N 3.48Å; K46-Y48 PolarHBondContact O-N 3Å; Y48-E50 PolarHBondContact O-N 2.98Å; Y48-C51 CarbonylContact O-C 3.58Å; Y48-C51 WeakPolarHBondContact O-CB 3.2Å; Y48-C51 PolarHBondContact O-N 3.35Å; Y48-C51 VanDerWaalsContact O-N 3.15Å; Y48-G52 PolarHBondContact O-N 3.17Å; Y48-Q53 CarbonylContact C-O 3.51Å; Y48-Q53 WeakPolarHBondContact CB-O 3.37Å; Y48-Q53 PolarHBondContact O-N 3.13Å; Y48-P56 HydrophobicContact CE1-CG 3.86Å; Y48-P56 WeakPolarHBondContact OH-CG 3.27Å; Y48-F114 HydrophobicContact CE1-CE1 4.01Å; Y48-F114 AromaticContact CE1-CZ 3.96Å; Y48-F114 HydrophobicContact CE1-CZ 3.96Å; Y48-F114 WeakPolarHBondContact OH-CZ 3.36Å; Y48-C149 HydrophobicContact CD1-CB 3.98Å; Y48-C149 HydrophobicContact CE1-CB 3.99Å
49	A	96.6	Very high	93.6	Very high	51 Å²	51	57.3 Å²	57.3	42%	0.421	34%	0.341	S	S	.	.	H	α-helix	trans	-60.4	-42.9	174.3	0	0	0	0	0	112	E45 K46 V47 C51 G52	E45-A49 VanDerWaalsContact O-CB 3.28Å; E45-A49 WeakPolarHBondContact O-CB 3.37Å; E45-A49 PolarHBondContact O-N 2.67Å; K46-A49 WeakPolarHBondContact O-CB 3.41Å; K46-A49 PolarHBondContact O-N 3.23Å; V47-A49 VanDerWaalsContact C-N 3.33Å; V47-A49 PolarHBondContact O-N 3.48Å; A49-C51 VanDerWaalsContact C-N 3.26Å; A49-C51 PolarHBondContact O-N 3.32Å; A49-G52 PolarHBondContact O-N 3.06Å
50	E	97	Very high	95.5	Very high	25 Å²	25	58.2 Å²	58.2	12%	0.117	33%	0.331	C	S	.	.	H	α-helix	trans	-62.3	-33.3	175.5	-70.8	-59.2	152.7	0	0	112.9	K46 V47 Y48 G52 L118 I121 K125 L147	K46-E50 WeakPolarHBondContact O-CG 2.99Å; K46-E50 PolarHBondContact O-N 2.97Å; V47-E50 PolarHBondContact O-N 2.9Å; Y48-E50 PolarHBondContact O-N 2.98Å; E50-G52 VanDerWaalsContact C-N 3.33Å; E50-L118 HydrophobicContact CG-CD2 4.3Å; E50-I121 HydrophobicContact CB-CG2 3.78Å; E50-I121 HydrophobicContact CG-CG2 4.06Å; E50-K125 PolarHBondContact O-NZ 3.28Å; E50-K125 WeakPolarHBondContact OE2-CD 3.36Å; E50-K125 WeakPolarHBondContact OE2-CE 3.42Å; E50-K125 IonicContact OE2-NZ 3.54Å; E50-K125 PolarHBondContact OE2-NZ 2.81Å; E50-L147 HydrophobicContact CB-CD2 4.29Å
51	C	97.3	Very high	96.2	Very high	14 Å²	14	57.7 Å²	57.7	10%	0.095	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-8	174.5	-58.1	0	0	0	0	113.7	V47 Y48 A49 Q53 C149	V47-C51 PolarHBondContact O-N 3.13Å; V47-C51 PolarHBondContact O-SG 2.91Å; Y48-C51 CarbonylContact O-C 3.58Å; Y48-C51 WeakPolarHBondContact O-CB 3.2Å; Y48-C51 PolarHBondContact O-N 3.35Å; Y48-C51 VanDerWaalsContact O-N 3.15Å; A49-C51 VanDerWaalsContact C-N 3.26Å; A49-C51 PolarHBondContact O-N 3.32Å; C51-Q53 VanDerWaalsContact C-N 3.26Å; C51-Q53 HydrophobicContact CB-CB 4.13Å; C51-Q53 HydrophobicContact CB-CG 3.78Å; C51-Q53 PolarHBondContact O-N 3.22Å; C51-C149 PolarHBondContact SG-N 3.26Å
52	G	97	Very high	96.5	Very high	72 Å²	72	55.5 Å²	55.5	74%	0.742	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.8	27.2	-170.2	0	0	0	0	0	113.8	Y48 A49 E50	Y48-G52 PolarHBondContact O-N 3.17Å; A49-G52 PolarHBondContact O-N 3.06Å; E50-G52 VanDerWaalsContact C-N 3.33Å
53	Q	96.9	Very high	96.5	Very high	17 Å²	17	52 Å²	52	8%	0.079	29%	0.292	C	S	.	.			trans	-111.8	158.3	-176.2	-67.5	171.1	-30.9	0	0	111.2	Y48 C51 L57 C149	Y48-Q53 CarbonylContact C-O 3.51Å; Y48-Q53 WeakPolarHBondContact CB-O 3.37Å; Y48-Q53 PolarHBondContact O-N 3.13Å; C51-Q53 VanDerWaalsContact C-N 3.26Å; C51-Q53 HydrophobicContact CB-CB 4.13Å; C51-Q53 HydrophobicContact CB-CG 3.78Å; C51-Q53 PolarHBondContact O-N 3.22Å; Q53-L57 HydrophobicContact CG-CG 4.48Å; Q53-C149 PolarHBondContact NE2-O 3.02Å; Q53-C149 VanDerWaalsContact NE2-O 3.14Å; Q53-C149 PolarHBondContact OE1-O 3.4Å
54	Q	94.3	Very high	96.4	Very high	184 Å²	184	52.8 Å²	52.8	86%	0.86	30%	0.296	S	S	*	.	S	Bend	trans	-102.7	-22.1	169.9	-64.3	-63.8	-49.3	0	0	112.1
55	C	95.9	Very high	96.3	Very high	75 Å²	75	54.5 Å²	54.5	51%	0.507	31%	0.305	S	S	.	.	S	Bend	trans	-155.7	165	177	62	0	0	0	0	108.9
56	P	97.9	Very high	96.1	Very high	25 Å²	25	55.7 Å²	55.7	16%	0.162	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-56.6	144.3	173.8	-22.5	33.6	0	0	0	111.7	Y48 Q151 L186	Y48-P56 HydrophobicContact CE1-CG 3.86Å; Y48-P56 WeakPolarHBondContact OH-CG 3.27Å; P56-Q151 HydrophobicContact CB-CB 3.77Å; P56-L186 HydrophobicContact CB-CD2 3.9Å; P56-L186 HydrophobicContact CG-CD2 3.53Å
57	L	98.1	Very high	96	Very high	45 Å²	45	53.6 Å²	53.6	24%	0.236	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	159.9	173.9	-65.1	179.3	0	0	0	111.2	Q53 E61 C149 V150 Q151	Q53-L57 HydrophobicContact CG-CG 4.48Å; L57-E61 HydrophobicContact CB-CB 4.09Å; L57-E61 HydrophobicContact CD2-CB 4.45Å; L57-C149 PolarHBondContact N-O 3.03Å; L57-V150 CarbonylContact O-C 3.51Å; L57-V150 VanDerWaalsContact O-CA 3.25Å; L57-V150 WeakPolarHBondContact O-CA 3.3Å; L57-Q151 PolarHBondContact O-N 2.87Å
58	S	97.5	Very high	95.9	Very high	36 Å²	36	54 Å²	54	25%	0.252	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	159.6	162.6	103.1	0	0	0	0	111	E60 E61 C62	S58-E60 VanDerWaalsContact C-N 3.26Å; S58-E60 PolarHBondContact O-N 3.48Å; S58-E60 PolarHBondContact OG-N 3.39Å; S58-E60 PolarHBondContact OG-OE2 2.88Å; S58-E61 PolarHBondContact N-OE2 3.07Å; S58-E61 PolarHBondContact O-N 3.4Å; S58-E61 PolarHBondContact OG-N 3.03Å; S58-C62 PolarHBondContact O-N 3.46Å; S58-C62 VanDerWaalsContact O-N 3.09Å
59	W	96.4	Very high	95.8	Very high	7 Å²	7	59.2 Å²	59.2	3%	0.027	33%	0.326	C	S	.	.	H	α-helix	trans	-56.1	-39.5	174.4	-83	96.9	0	0	0	112.9	C62 I63 V97 V150 G152 C153 P155 F158 F187 I189	W59-C62 PolarHBondContact O-N 3.17Å; W59-I63 HydrophobicContact CE3-CD1 4.38Å; W59-I63 HydrophobicContact CZ3-CD1 4.17Å; W59-I63 PolarHBondContact O-N 2.96Å; W59-V97 HydrophobicContact CH2-CG1 3.73Å; W59-V97 HydrophobicContact CH2-CG2 4.33Å; W59-V97 HydrophobicContact CZ2-CG1 4.35Å; W59-V150 HydrophobicContact CB-CG1 4.32Å; W59-V150 HydrophobicContact CD2-CG1 3.7Å; W59-V150 HydrophobicContact CE3-CG1 4.37Å; W59-V150 HydrophobicContact CG-CG1 3.66Å; W59-G152 PolarHBondContact NE1-O 3.43Å; W59-C153 PolarHBondContact NE1-O 2.91Å; W59-P155 HydrophobicContact CB-CG 4.14Å; W59-P155 HydrophobicContact CD2-CG 3.4Å; W59-P155 HydrophobicContact CE3-CG 3.47Å; W59-P155 VanDerWaalsContact CE3-CG 3.47Å; W59-P155 HydrophobicContact CG-CG 3.71Å; W59-P155 HydrophobicContact CH2-CG 4.44Å; W59-P155 HydrophobicContact CZ2-CG 4.41Å; W59-P155 HydrophobicContact CZ3-CG 4Å; W59-F158 HydrophobicContact CZ3-CE1 4.21Å; W59-F158 HydrophobicContact CZ3-CE2 4.49Å; W59-F158 HydrophobicContact CZ3-CZ 4.15Å; W59-F187 HydrophobicContact CZ2-CB 4.36Å; W59-F187 HydrophobicContact CZ2-CD1 4.29Å; W59-F187 AromaticContact CZ2-CD2 3.79Å; W59-F187 HydrophobicContact CZ2-CD2 3.79Å; W59-F187 HydrophobicContact CZ2-CE2 4.13Å; W59-F187 AromaticContact CZ2-CG 3.88Å; W59-F187 HydrophobicContact CZ2-CG 3.88Å; W59-I189 HydrophobicContact CE3-CD1 3.85Å; W59-I189 HydrophobicContact CH2-CD1 3.65Å; W59-I189 HydrophobicContact CH2-CG1 4.42Å; W59-I189 HydrophobicContact CZ2-CD1 4.45Å; W59-I189 HydrophobicContact CZ3-CD1 3.3Å; W59-I189 HydrophobicContact CZ3-CG1 4.46Å
60	E	95.8	Very high	95.7	Very high	104 Å²	104	63.8 Å²	63.8	49%	0.486	33%	0.332	S	S	.	.	H	α-helix	trans	-74.1	-27.6	-179.4	-58.9	77.8	-173.3	0	0	113.5	S58 P65 M68	S58-E60 VanDerWaalsContact C-N 3.26Å; S58-E60 PolarHBondContact O-N 3.48Å; S58-E60 PolarHBondContact OG-N 3.39Å; S58-E60 PolarHBondContact OG-OE2 2.88Å; E60-P65 HydrophobicContact CG-CG 4.32Å; E60-M68 HydrophobicContact CG-CE 4.05Å
61	E	95.1	Very high	95.6	Very high	130 Å²	130	63.1 Å²	63.1	61%	0.607	33%	0.33	S	S	*	.	H	α-helix	trans	-71.6	-39.1	172.8	-69.4	178.6	127.3	0	0	111	L57 S58	L57-E61 HydrophobicContact CB-CB 4.09Å; L57-E61 HydrophobicContact CD2-CB 4.45Å; S58-E61 PolarHBondContact N-OE2 3.07Å; S58-E61 PolarHBondContact O-N 3.4Å; S58-E61 PolarHBondContact OG-N 3.03Å
62	C	95.1	Very high	95.6	Very high	13 Å²	13	65.7 Å²	65.7	9%	0.088	35%	0.345	C	S	.	.	H	α-helix	trans	-76.3	-52.8	177.3	178.2	0	0	0	0	112.4	S58 W59 H148 V150	S58-C62 PolarHBondContact O-N 3.46Å; S58-C62 VanDerWaalsContact O-N 3.09Å; W59-C62 PolarHBondContact O-N 3.17Å; C62-H148 PolarHBondContact SG-CD2 2.94Å; C62-V150 HydrophobicContact CB-CG2 3.63Å
63	I	95.1	Very high	95.6	Very high	2 Å²	2	62.4 Å²	62.4	1%	0.01	31%	0.31	C	S	.	.	S	Bend	trans	-123.8	106.2	-175.7	-50.5	179.2	0	0	0	109.3	W59 R67 M68 L95 F158 I189	W59-I63 HydrophobicContact CE3-CD1 4.38Å; W59-I63 HydrophobicContact CZ3-CD1 4.17Å; W59-I63 PolarHBondContact O-N 2.96Å; I63-R67 HydrophobicContact CG2-CB 3.82Å; I63-M68 HydrophobicContact CB-CG 3.95Å; I63-M68 HydrophobicContact CB-SD 4.48Å; I63-M68 HydrophobicContact CG2-CG 3.52Å; I63-M68 WeakPolarHBondContact O-CE 3.45Å; I63-M68 WeakPolarHBondContact O-CG 3.41Å; I63-L95 HydrophobicContact CD1-CD1 3.73Å; I63-F158 HydrophobicContact CD1-CE2 4.48Å; I63-F158 HydrophobicContact CD1-CZ 3.72Å; I63-I189 HydrophobicContact CD1-CD1 3.9Å; I63-I189 HydrophobicContact CD1-CG2 4.4Å
64	L	94	Very high	95.5	Very high	88 Å²	88	64.5 Å²	64.5	46%	0.461	32%	0.321	S	S	.	.			trans	-54	139.9	179.9	-62	176.5	0	0	0	111.7	H66 R67 M68	L64-H66 VanDerWaalsContact CB-CE1 3.47Å; L64-H66 WeakPolarHBondContact CB-CE1 3.38Å; L64-H66 PolarHBondContact O-N 3.08Å; L64-R67 HydrophobicContact CB-CG 4.49Å; L64-R67 WeakPolarHBondContact O-CA 3.48Å; L64-R67 WeakPolarHBondContact O-CB 3.04Å; L64-R67 PolarHBondContact O-N 2.89Å; L64-M68 PolarHBondContact O-N 3.02Å
65	P	93.9	Very high	95.4	Very high	57 Å²	57	56.8 Å²	56.8	37%	0.37	29%	0.291	S	S	.	.	H	α-helix	trans	-54.5	-31.3	-172.6	-31.1	35	0	0	0	115.9	E60 R67 M68 K69	E60-P65 HydrophobicContact CG-CG 4.32Å; P65-R67 VanDerWaalsContact C-N 3.34Å; P65-M68 HydrophobicContact CB-CE 4.2Å; P65-M68 HydrophobicContact CG-CE 4.12Å; P65-M68 PolarHBondContact O-N 3.4Å; P65-K69 WeakPolarHBondContact O-CG 3.44Å; P65-K69 PolarHBondContact O-N 3.31Å; P65-K69 VanDerWaalsContact O-N 3.13Å
66	H	93	Very high	95.1	Very high	115 Å²	115	55.9 Å²	55.9	53%	0.532	28%	0.279	S	S	.	.	H	α-helix	trans	-71.9	-27.1	177	68.1	-89.6	0	0	0	113.1	L64 R70	L64-H66 VanDerWaalsContact CB-CE1 3.47Å; L64-H66 WeakPolarHBondContact CB-CE1 3.38Å; L64-H66 PolarHBondContact O-N 3.08Å; H66-R70 WeakPolarHBondContact O-CG 3.41Å
67	R	94.6	Very high	94.4	Very high	29 Å²	29	56.2 Å²	56.2	11%	0.109	29%	0.288	C	S	.	.	H	α-helix	trans	-74.5	-42.2	171.8	-62.8	178.7	66.8	-160.4	-2.5	110.4	I63 L64 P65 K69 R70 C71 T85 T86 E191	I63-R67 HydrophobicContact CG2-CB 3.82Å; L64-R67 HydrophobicContact CB-CG 4.49Å; L64-R67 WeakPolarHBondContact O-CA 3.48Å; L64-R67 WeakPolarHBondContact O-CB 3.04Å; L64-R67 PolarHBondContact O-N 2.89Å; P65-R67 VanDerWaalsContact C-N 3.34Å; R67-K69 VanDerWaalsContact C-N 3.3Å; R67-K69 PolarHBondContact O-N 3.22Å; R67-R70 PolarHBondContact O-N 3.08Å; R67-C71 PolarHBondContact O-N 3.2Å; R67-T85 PolarHBondContact O-OG1 3.1Å; R67-T86 PolarHBondContact NE-O 3.01Å; R67-E191 IonicContact CZ-OE2 3.33Å; R67-E191 IonicContact NH1-OE2 3.92Å; R67-E191 PolarHBondContact NH1-OE2 3.22Å; R67-E191 IonicContact NH2-OE1 3.82Å; R67-E191 IonicContact NH2-OE2 2.89Å; R67-E191 PolarHBondContact NH2-OE2 3.31Å
68	M	94.9	Very high	93.6	Very high	7 Å²	7	57.5 Å²	57.5	3%	0.034	30%	0.297	C	S	.	.	H	α-helix	trans	-56.4	-44.3	175.7	-59.3	-158.5	-89.6	0	0	111.7	E60 I63 L64 P65 R70 C71 P155 E157 F158	E60-M68 HydrophobicContact CG-CE 4.05Å; I63-M68 HydrophobicContact CB-CG 3.95Å; I63-M68 HydrophobicContact CB-SD 4.48Å; I63-M68 HydrophobicContact CG2-CG 3.52Å; I63-M68 WeakPolarHBondContact O-CE 3.45Å; I63-M68 WeakPolarHBondContact O-CG 3.41Å; L64-M68 PolarHBondContact O-N 3.02Å; P65-M68 HydrophobicContact CB-CE 4.2Å; P65-M68 HydrophobicContact CG-CE 4.12Å; P65-M68 PolarHBondContact O-N 3.4Å; M68-R70 PolarHBondContact O-N 3.01Å; M68-R70 VanDerWaalsContact O-N 3.08Å; M68-C71 VanDerWaalsContact O-CB 3.27Å; M68-C71 WeakPolarHBondContact O-CB 3.4Å; M68-C71 PolarHBondContact O-N 3.35Å; M68-P155 HydrophobicContact SD-CB 4.02Å; M68-P155 HydrophobicContact SD-CG 4.04Å; M68-E157 HydrophobicContact CB-CB 4.08Å; M68-E157 HydrophobicContact CB-CG 4.23Å; M68-F158 HydrophobicContact CB-CD2 4.44Å; M68-F158 HydrophobicContact CB-CE2 3.94Å; M68-F158 HydrophobicContact CG-CE2 3.82Å; M68-F158 HydrophobicContact SD-CE2 4.13Å
69	K	94.9	Very high	92.9	Very high	148 Å²	148	59 Å²	59	64%	0.643	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-18.1	177.3	-73.1	173.5	-175	179	0	114.8	P65 R67 E157	P65-K69 WeakPolarHBondContact O-CG 3.44Å; P65-K69 PolarHBondContact O-N 3.31Å; P65-K69 VanDerWaalsContact O-N 3.13Å; R67-K69 VanDerWaalsContact C-N 3.3Å; R67-K69 PolarHBondContact O-N 3.22Å; K69-E157 HydrophobicContact CB-CG 4.47Å; K69-E157 HydrophobicContact CG-CG 3.77Å
70	R	94.9	Very high	92.6	Very high	147 Å²	147	58.9 Å²	58.9	56%	0.555	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	-1.4	178.5	-66.2	-180	65.7	177.4	-1.4	112.7	H66 R67 M68 T86	H66-R70 WeakPolarHBondContact O-CG 3.41Å; R67-R70 PolarHBondContact O-N 3.08Å; M68-R70 PolarHBondContact O-N 3.01Å; M68-R70 VanDerWaalsContact O-N 3.08Å; R70-T86 PolarHBondContact NH1-OG1 3.02Å; R70-T86 VanDerWaalsContact NH2-CG2 3.25Å
71	C	95.9	Very high	92.6	Very high	11 Å²	11	54.2 Å²	54.2	7%	0.074	28%	0.279	C	S	.	.			trans	-61.8	136.7	-180	-73	0	0	0	0	111.4	R67 M68 F83 S84 F158	R67-C71 PolarHBondContact O-N 3.2Å; M68-C71 VanDerWaalsContact O-CB 3.27Å; M68-C71 WeakPolarHBondContact O-CB 3.4Å; M68-C71 PolarHBondContact O-N 3.35Å; C71-F83 HydrophobicContact CB-CB 4.41Å; C71-F83 HydrophobicContact CB-CD1 4.45Å; C71-S84 CarbonylContact C-O 3.54Å; C71-S84 VanDerWaalsContact CA-O 3.26Å; C71-S84 WeakPolarHBondContact CA-O 3.34Å; C71-F158 HydrophobicContact CB-CE2 4.38Å; C71-F158 HydrophobicContact CB-CZ 4.48Å; C71-F158 VanDerWaalsContact SG-CE2 3.59Å; C71-F158 WeakPolarHBondContact SG-CZ 3.38Å
72	V	96.7	Very high	92.7	Very high	67 Å²	67	49.8 Å²	49.8	41%	0.406	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	121.1	171.8	179.2	0	0	0	0	107.3	I74 F83 S84	V72-I74 PolarHBondContact O-N 2.99Å; V72-F83 CarbonylContact O-C 3.5Å; V72-F83 WeakPolarHBondContact O-CA 3.39Å; V72-S84 PolarHBondContact N-O 3.43Å; V72-S84 PolarHBondContact O-N 2.98Å; V72-S84 PolarHBondContact O-OG 2.92Å
73	K	97	Very high	92.8	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.017	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.1	128.5	172.3	179.2	172.2	165.6	171.4	0	109	E76 E81 V82 F83 W162 F165 S171	K73-E76 WeakPolarHBondContact CE-OE2 3.37Å; K73-E76 IonicContact NZ-OE2 2.82Å; K73-E76 PolarHBondContact NZ-OE2 2.92Å; K73-E81 WeakPolarHBondContact CD-OE2 3.26Å; K73-E81 WeakPolarHBondContact CE-OE2 3.37Å; K73-E81 IonicContact NZ-OE1 2.69Å; K73-E81 PolarHBondContact NZ-OE1 2.88Å; K73-E81 IonicContact NZ-OE2 3.22Å; K73-E81 PolarHBondContact NZ-OE2 3.37Å; K73-V82 WeakPolarHBondContact CA-O 3.46Å; K73-F83 HydrophobicContact CB-CD1 3.82Å; K73-F83 HydrophobicContact CB-CE1 3.77Å; K73-F83 HydrophobicContact CG-CE1 4.37Å; K73-W162 HydrophobicContact CD-CB 4.33Å; K73-W162 HydrophobicContact CD-CG 4.13Å; K73-F165 HydrophobicContact CB-CB 3.86Å; K73-F165 HydrophobicContact CB-CD2 4.2Å; K73-F165 HydrophobicContact CB-CG 4.21Å; K73-F165 HydrophobicContact CD-CB 3.85Å; K73-F165 HydrophobicContact CD-CD1 4Å; K73-F165 HydrophobicContact CD-CD2 4.34Å; K73-F165 HydrophobicContact CD-CG 3.83Å; K73-F165 HydrophobicContact CG-CB 3.95Å; K73-F165 HydrophobicContact CG-CD1 4.39Å; K73-F165 HydrophobicContact CG-CD2 3.84Å; K73-F165 HydrophobicContact CG-CE2 4.39Å; K73-F165 HydrophobicContact CG-CG 3.82Å; K73-F165 WeakPolarHBondContact O-CD2 3.11Å; K73-S171 PolarHBondContact NZ-OG 3.47Å; K73-S171 VanDerWaalsContact NZ-OG 3.15Å
74	I	94.4	Very high	92.9	Very high	61 Å²	61	50 Å²	50	31%	0.313	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	-20.5	-175.5	52.6	163.3	0	0	0	113	V72 V82 S84 A94 F194	V72-I74 PolarHBondContact O-N 2.99Å; I74-V82 HydrophobicContact CD1-CG1 3.91Å; I74-V82 HydrophobicContact CG1-CB 4.33Å; I74-V82 HydrophobicContact CG1-CG1 3.86Å; I74-V82 WeakPolarHBondContact CG1-O 3.33Å; I74-V82 PolarHBondContact N-O 3.43Å; I74-S84 WeakPolarHBondContact CG2-OG 3.49Å; I74-A94 HydrophobicContact CD1-CB 4.13Å; I74-F194 HydrophobicContact CD1-CE2 4.08Å
75	G	91.8	Very high	93	Very high	22 Å²	22	46 Å²	46	23%	0.227	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	172.2	178.1	0	0	0	0	0	111	V82	G75-V82 PolarHBondContact N-O 3.5Å; G75-V82 PolarHBondContact O-N 3.36Å
76	E	90.5	Very high	93.1	Very high	55 Å²	55	44.2 Å²	44.2	26%	0.257	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	156.8	178.2	57.9	-167.1	-144.4	0	0	108.4	K73 F165 S171 E172	K73-E76 WeakPolarHBondContact CE-OE2 3.37Å; K73-E76 IonicContact NZ-OE2 2.82Å; K73-E76 PolarHBondContact NZ-OE2 2.92Å; E76-F165 VanDerWaalsContact OE2-CE1 3.3Å; E76-F165 WeakPolarHBondContact OE2-CE1 3.43Å; E76-S171 WeakPolarHBondContact OE1-CA 3.38Å; E76-S171 PolarHBondContact OE1-OG 3.28Å; E76-S171 WeakPolarHBondContact OE2-CB 3.39Å; E76-S171 PolarHBondContact OE2-OG 3.44Å; E76-E172 PolarHBondContact OE1-N 3.42Å
77	G	83.4	Confident	93	Very high	33 Å²	33	39.9 Å²	39.9	34%	0.34	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	174.7	168.2	0	0	0	0	0	109.2	F79 G80 N173	G77-F79 PolarHBondContact O-N 2.82Å; G77-G80 PolarHBondContact N-O 2.99Å; G77-G80 PolarHBondContact O-N 3.34Å; G77-G80 VanDerWaalsContact O-N 3.16Å; G77-N173 PolarHBondContact O-ND2 3.27Å; G77-N173 VanDerWaalsContact O-ND2 3.08Å
78	T	81.1	Confident	92.6	Very high	71 Å²	71	43.8 Å²	43.8	44%	0.436	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-43.9	-175.8	-48.1	0	0	0	0	112.4	N107 E109	T78-N107 PolarHBondContact O-ND2 3.44Å; T78-E109 HydrophobicContact CG2-CB 4.38Å; T78-E109 HydrophobicContact CG2-CG 3.39Å
79	F	83	Confident	92.5	Very high	67 Å²	67	47.1 Å²	47.1	29%	0.294	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	1.9	-173.9	-56.1	-69.9	0	0	0	114.7	G77 I98 P99 E109 K112	G77-F79 PolarHBondContact O-N 2.82Å; F79-I98 WeakPolarHBondContact O-CG2 3.31Å; F79-P99 WeakPolarHBondContact O-CD 3.28Å; F79-E109 HydrophobicContact CE1-CB 4.36Å; F79-E109 HydrophobicContact CE1-CG 4.37Å; F79-K112 HydrophobicContact CD1-CG 4.45Å
80	G	88.9	Confident	92.3	Very high	5 Å²	5	42.6 Å²	42.6	5%	0.052	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.7	-169.2	-177.7	0	0	0	0	0	116.6	G77 V97 N173	G77-G80 PolarHBondContact N-O 2.99Å; G77-G80 PolarHBondContact O-N 3.34Å; G77-G80 VanDerWaalsContact O-N 3.16Å; G80-V97 VanDerWaalsContact CA-O 3.28Å; G80-V97 WeakPolarHBondContact CA-O 3.17Å; G80-N173 PolarHBondContact O-ND2 3.06Å
81	E	95.7	Very high	92.3	Very high	7 Å²	7	41.2 Å²	41.2	3%	0.033	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	139.8	-167.3	-64.2	-64.3	171.7	0	0	110.7	K73 F83 V97 Y154 W162 N173	K73-E81 WeakPolarHBondContact CD-OE2 3.26Å; K73-E81 WeakPolarHBondContact CE-OE2 3.37Å; K73-E81 IonicContact NZ-OE1 2.69Å; K73-E81 PolarHBondContact NZ-OE1 2.88Å; K73-E81 IonicContact NZ-OE2 3.22Å; K73-E81 PolarHBondContact NZ-OE2 3.37Å; E81-F83 HydrophobicContact CB-CD2 4.34Å; E81-F83 HydrophobicContact CB-CE2 3.41Å; E81-F83 VanDerWaalsContact CB-CE2 3.41Å; E81-F83 HydrophobicContact CB-CZ 3.88Å; E81-F83 HydrophobicContact CG-CE2 4.49Å; E81-V97 PolarHBondContact N-O 3.4Å; E81-V97 PolarHBondContact O-N 2.95Å; E81-Y154 WeakPolarHBondContact CB-OH 3.34Å; E81-W162 PolarHBondContact OE1-NE1 2.92Å; E81-W162 VanDerWaalsContact OE1-NE1 3.11Å; E81-N173 WeakPolarHBondContact OE1-CB 3.33Å; E81-N173 PolarHBondContact OE1-ND2 3.03Å
82	V	97	Very high	92.3	Very high	36 Å²	36	44.1 Å²	44.1	22%	0.218	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	119.4	-179	-168.7	0	0	0	0	110.9	K73 I74 G75 A94 L95 K96	K73-V82 WeakPolarHBondContact CA-O 3.46Å; I74-V82 HydrophobicContact CD1-CG1 3.91Å; I74-V82 HydrophobicContact CG1-CB 4.33Å; I74-V82 HydrophobicContact CG1-CG1 3.86Å; I74-V82 WeakPolarHBondContact CG1-O 3.33Å; I74-V82 PolarHBondContact N-O 3.43Å; G75-V82 PolarHBondContact N-O 3.5Å; G75-V82 PolarHBondContact O-N 3.36Å; V82-A94 HydrophobicContact CG1-CB 4.33Å; V82-L95 WeakPolarHBondContact CA-O 3.42Å; V82-K96 HydrophobicContact CG2-CG 4.32Å
83	F	97.7	Very high	92.4	Very high	0 Å²	0	41 Å²	41	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	149.7	178.6	-56.8	-95.6	0	0	0	111.2	C71 V72 K73 E81 A94 L95 V97 Y154 F158 A161	C71-F83 HydrophobicContact CB-CB 4.41Å; C71-F83 HydrophobicContact CB-CD1 4.45Å; V72-F83 CarbonylContact O-C 3.5Å; V72-F83 WeakPolarHBondContact O-CA 3.39Å; K73-F83 HydrophobicContact CB-CD1 3.82Å; K73-F83 HydrophobicContact CB-CE1 3.77Å; K73-F83 HydrophobicContact CG-CE1 4.37Å; E81-F83 HydrophobicContact CB-CD2 4.34Å; E81-F83 HydrophobicContact CB-CE2 3.41Å; E81-F83 VanDerWaalsContact CB-CE2 3.41Å; E81-F83 HydrophobicContact CB-CZ 3.88Å; E81-F83 HydrophobicContact CG-CE2 4.49Å; F83-A94 CarbonylContact O-C 3.56Å; F83-A94 VanDerWaalsContact O-CA 3.29Å; F83-A94 WeakPolarHBondContact O-CA 3.35Å; F83-L95 HydrophobicContact CB-CB 4.47Å; F83-L95 PolarHBondContact N-O 3.35Å; F83-L95 PolarHBondContact O-N 2.89Å; F83-V97 HydrophobicContact CD2-CG2 4.09Å; F83-V97 HydrophobicContact CE2-CG2 4.25Å; F83-Y154 WeakPolarHBondContact CE2-OH 2.99Å; F83-Y154 HydrophobicContact CZ-CE1 4.19Å; F83-Y154 VanDerWaalsContact CZ-OH 3.29Å; F83-Y154 WeakPolarHBondContact CZ-OH 3.41Å; F83-F158 HydrophobicContact CB-CE1 4.28Å; F83-F158 AromaticContact CD1-CD1 3.93Å; F83-F158 HydrophobicContact CD1-CD1 3.93Å; F83-F158 HydrophobicContact CD1-CE1 4.42Å; F83-F158 AromaticContact CD2-CD1 3.57Å; F83-F158 HydrophobicContact CD2-CD1 3.57Å; F83-F158 AromaticContact CD2-CE1 3.71Å; F83-F158 HydrophobicContact CD2-CE1 3.71Å; F83-F158 HydrophobicContact CE1-CB 4.17Å; F83-F158 AromaticContact CE1-CD1 3.91Å; F83-F158 HydrophobicContact CE1-CD1 3.91Å; F83-F158 HydrophobicContact CE1-CG 4.38Å; F83-F158 AromaticContact CE2-CD1 3.55Å; F83-F158 HydrophobicContact CE2-CD1 3.55Å; F83-F158 HydrophobicContact CE2-CE1 4.13Å; F83-F158 AromaticContact CG-CD1 3.77Å; F83-F158 HydrophobicContact CG-CD1 3.77Å; F83-F158 AromaticContact CG-CE1 3.88Å; F83-F158 HydrophobicContact CG-CE1 3.88Å; F83-F158 HydrophobicContact CZ-CB 4.18Å; F83-F158 AromaticContact CZ-CD1 3.73Å; F83-F158 HydrophobicContact CZ-CD1 3.73Å; F83-F158 HydrophobicContact CZ-CG 4.42Å; F83-A161 HydrophobicContact CD1-CB 4.05Å; F83-A161 HydrophobicContact CE1-CB 4Å
84	S	97.2	Very high	92.4	Very high	19 Å²	19	41.3 Å²	41.3	13%	0.133	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	141.5	166.5	62.9	0	0	0	0	110.7	C71 V72 I74 V93	C71-S84 CarbonylContact C-O 3.54Å; C71-S84 VanDerWaalsContact CA-O 3.26Å; C71-S84 WeakPolarHBondContact CA-O 3.34Å; V72-S84 PolarHBondContact N-O 3.43Å; V72-S84 PolarHBondContact O-N 2.98Å; V72-S84 PolarHBondContact O-OG 2.92Å; I74-S84 WeakPolarHBondContact CG2-OG 3.49Å; S84-V93 VanDerWaalsContact CA-O 3.25Å; S84-V93 WeakPolarHBondContact CA-O 3.49Å
85	T	96.7	Very high	92.6	Very high	6 Å²	6	38.5 Å²	38.5	4%	0.037	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	-170.8	169.9	-167	0	0	0	0	109.5	R67 T92 V93 L95	R67-T85 PolarHBondContact O-OG1 3.1Å; T85-T92 WeakPolarHBondContact O-CA 3.37Å; T85-V93 HydrophobicContact CG2-CG2 3.84Å; T85-V93 PolarHBondContact N-O 3.27Å; T85-V93 VanDerWaalsContact N-O 3.08Å; T85-V93 PolarHBondContact O-N 3.42Å; T85-L95 HydrophobicContact CG2-CD1 3.7Å; T85-L95 HydrophobicContact CG2-CG 4.25Å
86	T	95.1	Very high	92.9	Very high	18 Å²	18	38.3 Å²	38.3	11%	0.11	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	137.9	170.5	55.4	0	0	0	0	111.7	R67 R70 E91	R67-T86 PolarHBondContact NE-O 3.01Å; R70-T86 PolarHBondContact NH1-OG1 3.02Å; R70-T86 VanDerWaalsContact NH2-CG2 3.25Å; T86-E91 CarbonylContact C-O 3.53Å; T86-E91 WeakPolarHBondContact CA-O 3.35Å
87	N	91.2	Very high	93.2	Very high	25 Å²	25	35.8 Å²	35.8	13%	0.134	24%	0.241	C	C	.	.			trans	-77.9	-178.7	172.5	71.6	8.6	0	0	0	111.8	A89 G90 E91 V93	N87-A89 PolarHBondContact O-N 3.48Å; N87-A89 WeakPolarHBondContact OD1-CA 3.36Å; N87-A89 WeakPolarHBondContact OD1-CB 3.43Å; N87-A89 PolarHBondContact OD1-N 2.95Å; N87-G90 PolarHBondContact O-N 3.49Å; N87-G90 PolarHBondContact OD1-N 2.96Å; N87-G90 VanDerWaalsContact OD1-N 3.1Å; N87-E91 PolarHBondContact N-O 3.01Å; N87-E91 PolarHBondContact ND2-OE2 3.32Å; N87-E91 PolarHBondContact OD1-N 3.21Å; N87-E91 PolarHBondContact OD1-O 3.42Å; N87-V93 HydrophobicContact CB-CG1 3.87Å; N87-V93 HydrophobicContact CB-CG2 4.38Å
88	A	87.5	Confident	93.8	Very high	111 Å²	111	34.2 Å²	34.2	92%	0.917	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-26.3	179.2	0	0	0	0	0	113.5	G90	A88-G90 PolarHBondContact O-N 3.02Å
89	A	90.9	Very high	94.6	Very high	76 Å²	76	31.3 Å²	31.3	63%	0.628	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.6	-4.4	174.5	0	0	0	0	0	113.2	N87 E91	N87-A89 PolarHBondContact O-N 3.48Å; N87-A89 WeakPolarHBondContact OD1-CA 3.36Å; N87-A89 WeakPolarHBondContact OD1-CB 3.43Å; N87-A89 PolarHBondContact OD1-N 2.95Å; A89-E91 VanDerWaalsContact C-N 3.31Å; A89-E91 HydrophobicContact CB-CG 4.14Å
90	G	92.1	Very high	95.1	Very high	53 Å²	53	28.2 Å²	28.2	55%	0.546	19%	0.194	S	C	.	.	S	Bend	trans	80.9	10	-177.5	0	0	0	0	0	113.9	N87 A88	N87-G90 PolarHBondContact O-N 3.49Å; N87-G90 PolarHBondContact OD1-N 2.96Å; N87-G90 VanDerWaalsContact OD1-N 3.1Å; A88-G90 PolarHBondContact O-N 3.02Å
91	E	94.6	Very high	95.5	Very high	118 Å²	118	32.3 Å²	32.3	55%	0.551	21%	0.212	S	C	*	.			trans	-85.2	144.6	178.5	-56.6	170.4	136.2	0	0	110.2	T86 N87 A89	T86-E91 CarbonylContact C-O 3.53Å; T86-E91 WeakPolarHBondContact CA-O 3.35Å; N87-E91 PolarHBondContact N-O 3.01Å; N87-E91 PolarHBondContact ND2-OE2 3.32Å; N87-E91 PolarHBondContact OD1-N 3.21Å; N87-E91 PolarHBondContact OD1-O 3.42Å; A89-E91 VanDerWaalsContact C-N 3.31Å; A89-E91 HydrophobicContact CB-CG 4.14Å
92	T	96.7	Very high	95.3	Very high	72 Å²	72	33 Å²	33	44%	0.442	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	132.3	171.7	-52.5	0	0	0	0	109.7	T85 F194	T85-T92 WeakPolarHBondContact O-CA 3.37Å; T92-F194 HydrophobicContact CG2-CB 3.91Å; T92-F194 HydrophobicContact CG2-CD1 4.36Å; T92-F194 HydrophobicContact CG2-CD2 3.71Å; T92-F194 HydrophobicContact CG2-CE2 4.33Å; T92-F194 HydrophobicContact CG2-CG 3.72Å; T92-F194 WeakPolarHBondContact O-CB 3.46Å; T92-F194 PolarHBondContact O-N 2.92Å
93	V	97.4	Very high	94.9	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	158.8	176.9	-63.6	0	0	0	0	110.2	S84 T85 N87 E191 F192	S84-V93 VanDerWaalsContact CA-O 3.25Å; S84-V93 WeakPolarHBondContact CA-O 3.49Å; T85-V93 HydrophobicContact CG2-CG2 3.84Å; T85-V93 PolarHBondContact N-O 3.27Å; T85-V93 VanDerWaalsContact N-O 3.08Å; T85-V93 PolarHBondContact O-N 3.42Å; N87-V93 HydrophobicContact CB-CG1 3.87Å; N87-V93 HydrophobicContact CB-CG2 4.38Å; V93-E191 HydrophobicContact CB-CG 3.92Å; V93-E191 HydrophobicContact CG1-CG 4.32Å; V93-E191 HydrophobicContact CG2-CG 4.01Å; V93-F192 WeakPolarHBondContact CA-O 3.44Å; V93-F192 WeakPolarHBondContact CB-O 3.45Å
94	A	98	Very high	94.5	Very high	12 Å²	12	41.8 Å²	41.8	10%	0.099	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	137.2	173	0	0	0	0	0	109.9	I74 V82 F83 E191 F192	I74-A94 HydrophobicContact CD1-CB 4.13Å; V82-A94 HydrophobicContact CG1-CB 4.33Å; F83-A94 CarbonylContact O-C 3.56Å; F83-A94 VanDerWaalsContact O-CA 3.29Å; F83-A94 WeakPolarHBondContact O-CA 3.35Å; A94-E191 CarbonylContact O-C 3.48Å; A94-E191 WeakPolarHBondContact O-CA 3.4Å; A94-F192 HydrophobicContact CB-CB 4.46Å; A94-F192 PolarHBondContact N-O 3.35Å; A94-F192 PolarHBondContact O-N 3.1Å
95	L	97.9	Very high	94.1	Very high	1 Å²	1	46 Å²	46	1%	0.005	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	108.9	179.9	-59.1	173.8	0	0	0	107.5	I63 V82 F83 T85 F158 I189 L190 E191	I63-L95 HydrophobicContact CD1-CD1 3.73Å; V82-L95 WeakPolarHBondContact CA-O 3.42Å; F83-L95 HydrophobicContact CB-CB 4.47Å; F83-L95 PolarHBondContact N-O 3.35Å; F83-L95 PolarHBondContact O-N 2.89Å; T85-L95 HydrophobicContact CG2-CD1 3.7Å; T85-L95 HydrophobicContact CG2-CG 4.25Å; L95-F158 HydrophobicContact CD1-CE1 4.44Å; L95-F158 HydrophobicContact CD1-CZ 4.15Å; L95-I189 HydrophobicContact CB-CG2 4.39Å; L95-I189 HydrophobicContact CD2-CG2 4.17Å; L95-L190 WeakPolarHBondContact CA-O 3.45Å; L95-E191 HydrophobicContact CD2-CB 3.77Å; L95-E191 HydrophobicContact CD2-CG 3.75Å
96	K	97.8	Very high	93.7	Very high	19 Å²	19	46.5 Å²	46.5	8%	0.083	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	115.5	169.5	-172	176.5	-178.2	-178.2	0	107.7	V82 I98 E120 I189 L190 F192 D274	V82-K96 HydrophobicContact CG2-CG 4.32Å; K96-I98 HydrophobicContact CD-CD1 4.08Å; K96-I98 HydrophobicContact CD-CG1 4.48Å; K96-I98 HydrophobicContact CG-CD1 4.16Å; K96-I98 HydrophobicContact CG-CG1 4.08Å; K96-E120 WeakPolarHBondContact CE-OE1 3.43Å; K96-E120 IonicContact NZ-OE1 2.79Å; K96-E120 PolarHBondContact NZ-OE1 3.3Å; K96-I189 WeakPolarHBondContact O-CA 3.33Å; K96-L190 HydrophobicContact CB-CB 4.43Å; K96-L190 HydrophobicContact CB-CD1 4.4Å; K96-L190 PolarHBondContact N-O 3.47Å; K96-L190 PolarHBondContact O-N 2.81Å; K96-F192 HydrophobicContact CB-CD2 4.45Å; K96-F192 HydrophobicContact CB-CE2 4.02Å; K96-D274 IonicContact NZ-OD1 3.59Å; K96-D274 PolarHBondContact NZ-OD1 2.87Å; K96-D274 IonicContact NZ-OD2 3.51Å; K96-D274 PolarHBondContact NZ-OD2 2.98Å
97	V	97.6	Very high	93.4	Very high	1 Å²	1	47 Å²	47	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	118.6	-177.6	179.4	0	0	0	0	108.7	W59 G80 E81 F83 Y154 F158 F187 I189	W59-V97 HydrophobicContact CH2-CG1 3.73Å; W59-V97 HydrophobicContact CH2-CG2 4.33Å; W59-V97 HydrophobicContact CZ2-CG1 4.35Å; G80-V97 VanDerWaalsContact CA-O 3.28Å; G80-V97 WeakPolarHBondContact CA-O 3.17Å; E81-V97 PolarHBondContact N-O 3.4Å; E81-V97 PolarHBondContact O-N 2.95Å; F83-V97 HydrophobicContact CD2-CG2 4.09Å; F83-V97 HydrophobicContact CE2-CG2 4.25Å; V97-Y154 HydrophobicContact CG1-CE2 3.95Å; V97-F158 HydrophobicContact CG2-CE1 4.15Å; V97-F187 HydrophobicContact CG1-CD1 3.83Å; V97-F187 HydrophobicContact CG1-CE1 4.5Å; V97-F187 HydrophobicContact CG1-CG 4.46Å; V97-I189 HydrophobicContact CG2-CG1 4.37Å
98	I	96.7	Very high	93.1	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	117.5	-174	-58.2	171.3	0	0	0	108.4	F79 K96 L100 I117 F187 I188 L190	F79-I98 WeakPolarHBondContact O-CG2 3.31Å; K96-I98 HydrophobicContact CD-CD1 4.08Å; K96-I98 HydrophobicContact CD-CG1 4.48Å; K96-I98 HydrophobicContact CG-CD1 4.16Å; K96-I98 HydrophobicContact CG-CG1 4.08Å; I98-L100 HydrophobicContact CG2-CD2 3.97Å; I98-I117 HydrophobicContact CD1-CD1 3.82Å; I98-I117 HydrophobicContact CG2-CD1 4.24Å; I98-F187 CarbonylContact O-C 3.49Å; I98-F187 WeakPolarHBondContact O-CA 3.44Å; I98-I188 PolarHBondContact N-O 3.13Å; I98-I188 PolarHBondContact O-N 3.42Å; I98-L190 HydrophobicContact CD1-CD1 3.79Å
99	P	96	Very high	93.1	Very high	10 Å²	10	46 Å²	46	7%	0.065	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	142.8	171.9	30.6	-33	0	0	0	110.9	F79 V106 Q111 F181 F187	F79-P99 WeakPolarHBondContact O-CD 3.28Å; P99-V106 HydrophobicContact CG-CB 4.35Å; P99-V106 HydrophobicContact CG-CG1 4.12Å; P99-V106 HydrophobicContact CG-CG2 4.07Å; P99-Q111 HydrophobicContact CB-CG 4.45Å; P99-F181 HydrophobicContact CB-CE1 3.64Å; P99-F181 HydrophobicContact CB-CZ 3.67Å; P99-F181 HydrophobicContact CG-CE1 4.27Å; P99-F181 HydrophobicContact CG-CZ 3.89Å; P99-F187 HydrophobicContact CB-CD1 3.99Å; P99-F187 HydrophobicContact CB-CE1 3.78Å
100	L	95.2	Very high	93.2	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	155.7	-177.8	-60.1	-178.2	0	0	0	112.2	I98 G102 Q111 K112 F114 I117 Q185 L186 I188	I98-L100 HydrophobicContact CG2-CD2 3.97Å; L100-G102 PolarHBondContact O-N 2.99Å; L100-Q111 PolarHBondContact O-OE1 2.86Å; L100-K112 VanDerWaalsContact CA-O 3.26Å; L100-K112 WeakPolarHBondContact CA-O 3.49Å; L100-K112 WeakPolarHBondContact CB-O 3.46Å; L100-K112 HydrophobicContact CD2-CB 3.73Å; L100-K112 WeakPolarHBondContact CD2-O 3.47Å; L100-F114 HydrophobicContact CD1-CD1 4.22Å; L100-F114 HydrophobicContact CD1-CE1 4.25Å; L100-I117 HydrophobicContact CD1-CB 4.39Å; L100-I117 HydrophobicContact CD1-CG1 4.46Å; L100-I117 HydrophobicContact CD1-CG2 3.84Å; L100-I117 HydrophobicContact CD2-CB 3.86Å; L100-I117 HydrophobicContact CD2-CD1 4.45Å; L100-I117 HydrophobicContact CD2-CG1 4.05Å; L100-I117 HydrophobicContact CD2-CG2 4.14Å; L100-Q185 PolarHBondContact O-NE2 3.3Å; L100-L186 HydrophobicContact CB-CB 4.42Å; L100-L186 PolarHBondContact N-O 2.92Å; L100-I188 HydrophobicContact CD1-CB 4.08Å; L100-I188 HydrophobicContact CD1-CD1 4.48Å; L100-I188 HydrophobicContact CD1-CG1 3.32Å; L100-I188 HydrophobicContact CG-CG1 4.33Å
101	E	95.6	Very high	93.3	Very high	91 Å²	91	45.7 Å²	45.7	43%	0.425	26%	0.255	S	S	.	.	S	Bend	trans	59.8	4.6	168.3	-64.6	-72.8	159.4	0	0	115.5	K112 T113 F114 L186	E101-K112 PolarHBondContact N-O 3.43Å; E101-T113 WeakPolarHBondContact OE1-CA 3.4Å; E101-T113 WeakPolarHBondContact OE1-CB 3.33Å; E101-F114 HydrophobicContact CG-CD2 3.64Å; E101-F114 HydrophobicContact CG-CE2 3.67Å; E101-F114 HydrophobicContact CG-CG 4.26Å; E101-F114 HydrophobicContact CG-CZ 4.3Å; E101-F114 VanDerWaalsContact OE1-CD2 3.24Å; E101-F114 WeakPolarHBondContact OE1-CD2 3.15Å; E101-F114 PolarHBondContact OE1-N 3.45Å; E101-L186 HydrophobicContact CB-CD1 4.12Å; E101-L186 HydrophobicContact CG-CD1 4.28Å
102	G	92.3	Very high	93.3	Very high	21 Å²	21	41 Å²	41	22%	0.216	23%	0.232	C	C	.	.			trans	-82.4	150.1	175.7	0	0	0	0	0	112.2	L100 Q111	L100-G102 PolarHBondContact O-N 2.99Å; G102-Q111 VanDerWaalsContact CA-CD 3.46Å; G102-Q111 VanDerWaalsContact CA-OE1 3.25Å
103	S	89	Confident	93.3	Very high	113 Å²	113	40.2 Å²	40.2	79%	0.79	23%	0.228	S	C	*	.	S	Bend	trans	-83.8	-16.9	179.3	55.8	0	0	0	0	114.2
104	E	88.6	Confident	93.3	Very high	108 Å²	108	40.9 Å²	40.9	51%	0.505	23%	0.231	S	C	.	.	S	Bend	trans	-82.7	137.2	179.4	-62.9	-56.5	132	0	0	110.4	Q111	E104-Q111 PolarHBondContact O-NE2 2.96Å
105	K	89.2	Confident	93.2	Very high	109 Å²	109	41.6 Å²	41.6	47%	0.474	24%	0.239	S	C	.	.			trans	-66.7	136.4	172.8	-77.1	175.1	164.8	-98.7	0	110.4	G108 E109 D110	K105-G108 PolarHBondContact NZ-O 3.46Å; K105-E109 CarbonylContact C-O 3.54Å; K105-E109 WeakPolarHBondContact CA-O 3.35Å; K105-D110 VanDerWaalsContact CE-OD1 3.31Å; K105-D110 WeakPolarHBondContact CE-OD1 3.19Å; K105-D110 WeakPolarHBondContact CG-OD1 3.37Å; K105-D110 IonicContact NZ-OD1 3.7Å
106	V	88.9	Confident	93	Very high	16 Å²	16	46.9 Å²	46.9	10%	0.097	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-119.5	120.5	176.5	-178.6	0	0	0	0	107.5	P99 G108 E109 Q111 F181	P99-V106 HydrophobicContact CG-CB 4.35Å; P99-V106 HydrophobicContact CG-CG1 4.12Å; P99-V106 HydrophobicContact CG-CG2 4.07Å; V106-G108 PolarHBondContact O-N 2.93Å; V106-E109 PolarHBondContact N-O 3.2Å; V106-E109 PolarHBondContact O-N 3.2Å; V106-E109 VanDerWaalsContact O-N 3.13Å; V106-Q111 HydrophobicContact CG2-CG 3.8Å; V106-F181 HydrophobicContact CG1-CZ 4.31Å; V106-F181 HydrophobicContact CG2-CE1 3.83Å; V106-F181 HydrophobicContact CG2-CZ 3.74Å
107	N	88	Confident	93	Very high	29 Å²	29	46 Å²	46	16%	0.155	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	32.5	-177.8	-46.2	-38.4	0	0	0	113.1	T78 E109 N173 D174	T78-N107 PolarHBondContact O-ND2 3.44Å; N107-E109 VanDerWaalsContact C-N 3.28Å; N107-E109 PolarHBondContact O-N 3.33Å; N107-N173 VanDerWaalsContact ND2-CG 3.3Å; N107-N173 PolarHBondContact ND2-ND2 3.07Å; N107-N173 VanDerWaalsContact ND2-ND2 3.19Å; N107-N173 PolarHBondContact ND2-OD1 3.09Å; N107-N173 WeakPolarHBondContact OD1-CA 3.44Å; N107-N173 WeakPolarHBondContact OD1-CB 3.5Å; N107-D174 WeakPolarHBondContact CA-OD2 3.38Å; N107-D174 PolarHBondContact N-OD2 3.08Å; N107-D174 PolarHBondContact OD1-N 3.42Å
108	G	85.4	Confident	92.9	Very high	43 Å²	43	46.7 Å²	46.7	44%	0.443	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.5	-16.8	-176.9	0	0	0	0	0	115.4	K105 V106	K105-G108 PolarHBondContact NZ-O 3.46Å; V106-G108 PolarHBondContact O-N 2.93Å
109	E	88.2	Confident	92.9	Very high	70 Å²	70	47.7 Å²	47.7	33%	0.327	27%	0.27	S	S	.	.	B	Isolated β-bridge	trans	-100.3	153.9	-175.8	-64.8	-53.6	147.8	0	0	113.4	T78 F79 K105 V106 N107	T78-E109 HydrophobicContact CG2-CB 4.38Å; T78-E109 HydrophobicContact CG2-CG 3.39Å; F79-E109 HydrophobicContact CE1-CB 4.36Å; F79-E109 HydrophobicContact CE1-CG 4.37Å; K105-E109 CarbonylContact C-O 3.54Å; K105-E109 WeakPolarHBondContact CA-O 3.35Å; V106-E109 PolarHBondContact N-O 3.2Å; V106-E109 PolarHBondContact O-N 3.2Å; V106-E109 VanDerWaalsContact O-N 3.13Å; N107-E109 VanDerWaalsContact C-N 3.28Å; N107-E109 PolarHBondContact O-N 3.33Å
110	D	91.8	Very high	92.9	Very high	106 Å²	106	47.4 Å²	47.4	57%	0.567	27%	0.267	S	S	*	.	P	Polyproline II helix	trans	-70	145.1	169	-62.9	-32.7	0	0	0	109.6	K105	K105-D110 VanDerWaalsContact CE-OD1 3.31Å; K105-D110 WeakPolarHBondContact CE-OD1 3.19Å; K105-D110 WeakPolarHBondContact CG-OD1 3.37Å; K105-D110 IonicContact NZ-OD1 3.7Å
111	Q	94.1	Very high	93	Very high	17 Å²	17	47.3 Å²	47.3	8%	0.079	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-69.7	140.1	176.9	-60.6	-178.7	33.8	0	0	110	P99 L100 G102 E104 V106	P99-Q111 HydrophobicContact CB-CG 4.45Å; L100-Q111 PolarHBondContact O-OE1 2.86Å; G102-Q111 VanDerWaalsContact CA-CD 3.46Å; G102-Q111 VanDerWaalsContact CA-OE1 3.25Å; E104-Q111 PolarHBondContact O-NE2 2.96Å; V106-Q111 HydrophobicContact CG2-CG 3.8Å
112	K	94.8	Very high	93.2	Very high	20 Å²	20	44.4 Å²	44.4	9%	0.087	25%	0.254	C	S	.	.	B	Isolated β-bridge	trans	-62	140.7	176.3	-66.7	-176.4	-176.7	-176.4	0	110.4	F79 L100 E101 E116 I117 E120	F79-K112 HydrophobicContact CD1-CG 4.45Å; L100-K112 VanDerWaalsContact CA-O 3.26Å; L100-K112 WeakPolarHBondContact CA-O 3.49Å; L100-K112 WeakPolarHBondContact CB-O 3.46Å; L100-K112 HydrophobicContact CD2-CB 3.73Å; L100-K112 WeakPolarHBondContact CD2-O 3.47Å; E101-K112 PolarHBondContact N-O 3.43Å; K112-E116 HydrophobicContact CB-CB 4.09Å; K112-E116 HydrophobicContact CG-CB 4.37Å; K112-I117 HydrophobicContact CD-CD1 4.01Å; K112-E120 IonicContact NZ-OE2 3.45Å; K112-E120 PolarHBondContact NZ-OE2 3.42Å
113	T	96.7	Very high	93.5	Very high	55 Å²	55	43.4 Å²	43.4	34%	0.337	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-74.2	167.3	164.7	61.3	0	0	0	0	111	E101 G115 E116 I117	E101-T113 WeakPolarHBondContact OE1-CA 3.4Å; E101-T113 WeakPolarHBondContact OE1-CB 3.33Å; T113-G115 PolarHBondContact O-N 3.09Å; T113-E116 WeakPolarHBondContact CB-OE2 3.35Å; T113-E116 WeakPolarHBondContact CG2-OE2 3.48Å; T113-E116 PolarHBondContact N-OE2 2.82Å; T113-E116 PolarHBondContact O-N 3.02Å; T113-E116 VanDerWaalsContact O-N 3.14Å; T113-E116 VanDerWaalsContact OG1-CD 3.29Å; T113-E116 WeakPolarHBondContact OG1-CG 3.49Å; T113-E116 PolarHBondContact OG1-N 2.9Å; T113-E116 PolarHBondContact OG1-OE2 2.94Å; T113-I117 PolarHBondContact O-N 3.41Å; T113-I117 VanDerWaalsContact O-N 3.08Å
114	F	97.4	Very high	93.9	Very high	16 Å²	16	38.1 Å²	38.1	7%	0.07	21%	0.207	C	C	.	.	H	α-helix	trans	-56.4	-37.7	170.6	-74.3	-60.6	0	0	0	112.1	D43 A44 V47 Y48 L100 E101 E116 I117 L118 L186	D43-F114 HydrophobicContact CB-CB 3.86Å; A44-F114 HydrophobicContact CB-CD2 3.61Å; A44-F114 HydrophobicContact CB-CE2 3.62Å; A44-F114 HydrophobicContact CB-CG 4.15Å; A44-F114 HydrophobicContact CB-CZ 4.18Å; V47-F114 HydrophobicContact CB-CD1 3.84Å; V47-F114 HydrophobicContact CB-CE1 4.34Å; V47-F114 HydrophobicContact CG1-CD1 3.93Å; V47-F114 HydrophobicContact CG1-CE1 4.1Å; V47-F114 HydrophobicContact CG2-CB 4.14Å; V47-F114 HydrophobicContact CG2-CD1 3.81Å; V47-F114 HydrophobicContact CG2-CG 4.41Å; Y48-F114 HydrophobicContact CE1-CE1 4.01Å; Y48-F114 AromaticContact CE1-CZ 3.96Å; Y48-F114 HydrophobicContact CE1-CZ 3.96Å; Y48-F114 WeakPolarHBondContact OH-CZ 3.36Å; L100-F114 HydrophobicContact CD1-CD1 4.22Å; L100-F114 HydrophobicContact CD1-CE1 4.25Å; E101-F114 HydrophobicContact CG-CD2 3.64Å; E101-F114 HydrophobicContact CG-CE2 3.67Å; E101-F114 HydrophobicContact CG-CG 4.26Å; E101-F114 HydrophobicContact CG-CZ 4.3Å; E101-F114 VanDerWaalsContact OE1-CD2 3.24Å; E101-F114 WeakPolarHBondContact OE1-CD2 3.15Å; E101-F114 PolarHBondContact OE1-N 3.45Å; F114-E116 VanDerWaalsContact C-N 3.34Å; F114-E116 PolarHBondContact O-N 3.23Å; F114-I117 WeakPolarHBondContact O-CG2 3.07Å; F114-L118 VanDerWaalsContact O-CG 3.28Å; F114-L118 WeakPolarHBondContact O-CG 3.39Å; F114-L118 PolarHBondContact O-N 3.2Å; F114-L186 HydrophobicContact CE2-CD1 3.94Å; F114-L186 HydrophobicContact CZ-CD1 3.63Å
115	G	95.5	Very high	94.4	Very high	26 Å²	26	35.1 Å²	35.1	27%	0.268	19%	0.192	S	C	.	.	H	α-helix	trans	-62.7	-40.1	176.1	0	0	0	0	0	112.7	T113 P119	T113-G115 PolarHBondContact O-N 3.09Å; G115-P119 WeakPolarHBondContact O-CD 3.42Å
116	E	94.9	Very high	94.8	Very high	112 Å²	112	31.1 Å²	31.1	52%	0.523	18%	0.175	S	C	.	.	H	α-helix	trans	-80.3	-25.8	-176.1	-70.5	161.6	145.5	0	0	113.9	K112 T113 F114 P119	K112-E116 HydrophobicContact CB-CB 4.09Å; K112-E116 HydrophobicContact CG-CB 4.37Å; T113-E116 WeakPolarHBondContact CB-OE2 3.35Å; T113-E116 WeakPolarHBondContact CG2-OE2 3.48Å; T113-E116 PolarHBondContact N-OE2 2.82Å; T113-E116 PolarHBondContact O-N 3.02Å; T113-E116 VanDerWaalsContact O-N 3.14Å; T113-E116 VanDerWaalsContact OG1-CD 3.29Å; T113-E116 WeakPolarHBondContact OG1-CG 3.49Å; T113-E116 PolarHBondContact OG1-N 2.9Å; T113-E116 PolarHBondContact OG1-OE2 2.94Å; F114-E116 VanDerWaalsContact C-N 3.34Å; F114-E116 PolarHBondContact O-N 3.23Å; E116-P119 WeakPolarHBondContact O-CD 3.41Å
117	I	96.2	Very high	95.3	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-83.2	-23.4	176.1	-166.7	60.8	0	0	0	113.1	V47 I98 L100 K112 T113 F114 E120 I121 I188	V47-I117 HydrophobicContact CG2-CG2 4.12Å; I98-I117 HydrophobicContact CD1-CD1 3.82Å; I98-I117 HydrophobicContact CG2-CD1 4.24Å; L100-I117 HydrophobicContact CD1-CB 4.39Å; L100-I117 HydrophobicContact CD1-CG1 4.46Å; L100-I117 HydrophobicContact CD1-CG2 3.84Å; L100-I117 HydrophobicContact CD2-CB 3.86Å; L100-I117 HydrophobicContact CD2-CD1 4.45Å; L100-I117 HydrophobicContact CD2-CG1 4.05Å; L100-I117 HydrophobicContact CD2-CG2 4.14Å; K112-I117 HydrophobicContact CD-CD1 4.01Å; T113-I117 PolarHBondContact O-N 3.41Å; T113-I117 VanDerWaalsContact O-N 3.08Å; F114-I117 WeakPolarHBondContact O-CG2 3.07Å; I117-E120 HydrophobicContact CD1-CB 4.19Å; I117-E120 WeakPolarHBondContact CD1-OE2 3.3Å; I117-E120 PolarHBondContact O-N 2.73Å; I117-E120 VanDerWaalsContact O-N 3.13Å; I117-I121 HydrophobicContact CG1-CD1 4.05Å; I117-I121 HydrophobicContact CG1-CG1 4.28Å; I117-I121 HydrophobicContact CG2-CD1 4.15Å; I117-I121 PolarHBondContact O-N 3.27Å; I117-I121 VanDerWaalsContact O-N 3.14Å; I117-I188 HydrophobicContact CG1-CB 4.44Å; I117-I188 HydrophobicContact CG1-CG1 4.3Å; I117-I188 HydrophobicContact CG1-CG2 4.49Å
118	L	96.4	Very high	95.8	Very high	17 Å²	17	29.3 Å²	29.3	9%	0.089	17%	0.165	C	C	.	.	H	α-helix	trans	-53	-45.7	-179.1	-87.3	167.6	0	0	0	113.7	D43 K46 V47 E50 F114 E120 I121 I122	D43-L118 HydrophobicContact CB-CD1 4.29Å; K46-L118 HydrophobicContact CB-CD1 3.93Å; K46-L118 HydrophobicContact CB-CD2 3.99Å; K46-L118 HydrophobicContact CD-CD1 3.95Å; V47-L118 HydrophobicContact CB-CD2 4.49Å; V47-L118 HydrophobicContact CG2-CD1 4.3Å; V47-L118 HydrophobicContact CG2-CD2 3.53Å; V47-L118 HydrophobicContact CG2-CG 3.56Å; E50-L118 HydrophobicContact CG-CD2 4.3Å; F114-L118 VanDerWaalsContact O-CG 3.28Å; F114-L118 WeakPolarHBondContact O-CG 3.39Å; F114-L118 PolarHBondContact O-N 3.2Å; L118-E120 VanDerWaalsContact C-N 3.35Å; L118-E120 PolarHBondContact O-N 3.06Å; L118-I121 PolarHBondContact O-N 3.37Å; L118-I122 WeakPolarHBondContact O-CG1 3.41Å; L118-I122 PolarHBondContact O-N 3Å
119	P	95.9	Very high	96.4	Very high	22 Å²	22	30.5 Å²	30.5	14%	0.143	16%	0.159	C	C	.	.	H	α-helix	trans	-56	-46	176.2	-27.8	35.8	0	0	0	113.2	G115 E116 I121 I122 I123 I287	G115-P119 WeakPolarHBondContact O-CD 3.42Å; E116-P119 WeakPolarHBondContact O-CD 3.41Å; P119-I121 VanDerWaalsContact C-N 3.33Å; P119-I121 PolarHBondContact O-N 3.18Å; P119-I122 PolarHBondContact O-N 3.45Å; P119-I123 VanDerWaalsContact O-CB 3.27Å; P119-I123 WeakPolarHBondContact O-CB 3.39Å; P119-I123 WeakPolarHBondContact O-CD1 3.4Å; P119-I123 WeakPolarHBondContact O-CG1 3.42Å; P119-I123 PolarHBondContact O-N 2.78Å; P119-I287 HydrophobicContact CB-CG2 3.88Å; P119-I287 HydrophobicContact CG-CG2 4.48Å
120	E	97	Very high	96.9	Very high	3 Å²	3	27.1 Å²	27.1	1%	0.014	14%	0.143	C	C	.	.	H	α-helix	trans	-63.7	-39.7	-179.5	-172.4	177.3	168.8	0	0	111.6	K96 K112 I117 L118 S124 S276	K96-E120 WeakPolarHBondContact CE-OE1 3.43Å; K96-E120 IonicContact NZ-OE1 2.79Å; K96-E120 PolarHBondContact NZ-OE1 3.3Å; K112-E120 IonicContact NZ-OE2 3.45Å; K112-E120 PolarHBondContact NZ-OE2 3.42Å; I117-E120 HydrophobicContact CD1-CB 4.19Å; I117-E120 WeakPolarHBondContact CD1-OE2 3.3Å; I117-E120 PolarHBondContact O-N 2.73Å; I117-E120 VanDerWaalsContact O-N 3.13Å; L118-E120 VanDerWaalsContact C-N 3.35Å; L118-E120 PolarHBondContact O-N 3.06Å; E120-S124 VanDerWaalsContact O-CB 3.25Å; E120-S124 WeakPolarHBondContact O-CB 3.21Å; E120-S124 PolarHBondContact O-N 3.2Å; E120-S124 PolarHBondContact O-OG 3.36Å; E120-S276 PolarHBondContact OE2-OG 3.03Å
121	I	98.1	Very high	97.2	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-61.7	-54	175.3	-73.1	168.8	0	0	0	111.1	V47 E50 I117 L118 P119 I123 S124 K125 L147 I188	V47-I121 HydrophobicContact CG1-CD1 4.13Å; V47-I121 HydrophobicContact CG2-CD1 4.3Å; E50-I121 HydrophobicContact CB-CG2 3.78Å; E50-I121 HydrophobicContact CG-CG2 4.06Å; I117-I121 HydrophobicContact CG1-CD1 4.05Å; I117-I121 HydrophobicContact CG1-CG1 4.28Å; I117-I121 HydrophobicContact CG2-CD1 4.15Å; I117-I121 PolarHBondContact O-N 3.27Å; I117-I121 VanDerWaalsContact O-N 3.14Å; L118-I121 PolarHBondContact O-N 3.37Å; P119-I121 VanDerWaalsContact C-N 3.33Å; P119-I121 PolarHBondContact O-N 3.18Å; I121-I123 PolarHBondContact O-N 3.44Å; I121-S124 PolarHBondContact O-N 3.07Å; I121-K125 HydrophobicContact CG2-CD 4.29Å; I121-K125 WeakPolarHBondContact O-CG 3.37Å; I121-K125 PolarHBondContact O-N 2.72Å; I121-K125 VanDerWaalsContact O-N 3.1Å; I121-L147 HydrophobicContact CB-CD2 4.41Å; I121-L147 HydrophobicContact CD1-CD1 4.48Å; I121-L147 HydrophobicContact CG1-CD1 4.17Å; I121-L147 HydrophobicContact CG1-CD2 4.28Å; I121-L147 HydrophobicContact CG2-CD2 3.42Å; I121-L147 VanDerWaalsContact CG2-CD2 3.42Å; I121-I188 HydrophobicContact CD1-CD1 4Å; I121-I188 HydrophobicContact CD1-CG1 4.29Å; I121-I188 HydrophobicContact CD1-CG2 4.44Å
122	I	98.1	Very high	97.3	Very high	30 Å²	30	30.6 Å²	30.6	15%	0.154	16%	0.155	C	C	.	.	H	α-helix	trans	-64.1	-44.9	-175.4	-67.7	166.2	0	0	0	110.1	L118 P119 S124 K125 E126 I282 I287	L118-I122 WeakPolarHBondContact O-CG1 3.41Å; L118-I122 PolarHBondContact O-N 3Å; P119-I122 PolarHBondContact O-N 3.45Å; I122-S124 PolarHBondContact O-N 3.03Å; I122-K125 PolarHBondContact O-N 3.33Å; I122-E126 PolarHBondContact O-N 2.76Å; I122-I282 HydrophobicContact CG2-CD1 3.62Å; I122-I287 HydrophobicContact CB-CG2 4.39Å; I122-I287 HydrophobicContact CD1-CD1 4.42Å; I122-I287 HydrophobicContact CG2-CG1 4.23Å; I122-I287 HydrophobicContact CG2-CG2 4.35Å
123	I	98.6	Very high	97.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-63.2	-43.1	179.1	-64.9	170	0	0	0	110.9	P119 I121 K125 E126 L127 F232 Y275 S278 L280 I287	P119-I123 VanDerWaalsContact O-CB 3.27Å; P119-I123 WeakPolarHBondContact O-CB 3.39Å; P119-I123 WeakPolarHBondContact O-CD1 3.4Å; P119-I123 WeakPolarHBondContact O-CG1 3.42Å; P119-I123 PolarHBondContact O-N 2.78Å; I121-I123 PolarHBondContact O-N 3.44Å; I123-K125 VanDerWaalsContact C-N 3.28Å; I123-K125 PolarHBondContact O-N 2.99Å; I123-E126 PolarHBondContact O-N 3.49Å; I123-L127 HydrophobicContact CG2-CD1 3.55Å; I123-L127 HydrophobicContact CG2-CG 4.04Å; I123-L127 WeakPolarHBondContact O-CB 3.47Å; I123-L127 WeakPolarHBondContact O-CG 3.36Å; I123-L127 PolarHBondContact O-N 3.4Å; I123-F232 HydrophobicContact CG2-CE2 4.05Å; I123-Y275 HydrophobicContact CG2-CD2 4.1Å; I123-Y275 HydrophobicContact CG2-CG 3.84Å; I123-S278 WeakPolarHBondContact CD1-O 3.46Å; I123-L280 HydrophobicContact CB-CD2 4.13Å; I123-L280 HydrophobicContact CG1-CD2 3.74Å; I123-L280 HydrophobicContact CG1-CG 3.86Å; I123-L280 HydrophobicContact CG2-CD2 3.98Å; I123-I287 HydrophobicContact CD1-CG2 4.29Å; I123-I287 HydrophobicContact CG1-CG2 4.12Å
124	S	98.5	Very high	97.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	18%	0.177	C	C	.	.	H	α-helix	trans	-57.8	-41.5	175.9	-62.1	0	0	0	0	112.2	E120 I121 I122 S128 Y275	E120-S124 VanDerWaalsContact O-CB 3.25Å; E120-S124 WeakPolarHBondContact O-CB 3.21Å; E120-S124 PolarHBondContact O-N 3.2Å; E120-S124 PolarHBondContact O-OG 3.36Å; I121-S124 PolarHBondContact O-N 3.07Å; I122-S124 PolarHBondContact O-N 3.03Å; S124-S128 WeakPolarHBondContact O-CB 3.27Å; S124-S128 PolarHBondContact O-N 3.12Å; S124-S128 VanDerWaalsContact O-N 3.12Å; S124-Y275 WeakPolarHBondContact OG-CD2 3.29Å
125	K	98.4	Very high	97.4	Very high	46 Å²	46	40.8 Å²	40.8	20%	0.2	20%	0.199	C	C	.	.	H	α-helix	trans	-66.7	-49.9	177.7	-71.1	175.3	75.9	169.2	0	111.7	E50 I121 I122 I123 S128 H129 L144 L147	E50-K125 PolarHBondContact O-NZ 3.28Å; E50-K125 WeakPolarHBondContact OE2-CD 3.36Å; E50-K125 WeakPolarHBondContact OE2-CE 3.42Å; E50-K125 IonicContact OE2-NZ 3.54Å; E50-K125 PolarHBondContact OE2-NZ 2.81Å; I121-K125 HydrophobicContact CG2-CD 4.29Å; I121-K125 WeakPolarHBondContact O-CG 3.37Å; I121-K125 PolarHBondContact O-N 2.72Å; I121-K125 VanDerWaalsContact O-N 3.1Å; I122-K125 PolarHBondContact O-N 3.33Å; I123-K125 VanDerWaalsContact C-N 3.28Å; I123-K125 PolarHBondContact O-N 2.99Å; K125-S128 PolarHBondContact O-N 3.42Å; K125-H129 VanDerWaalsContact O-CG 3.24Å; K125-H129 PolarHBondContact O-N 2.71Å; K125-H129 PolarHBondContact O-ND1 2.95Å; K125-L144 HydrophobicContact CG-CD2 3.59Å; K125-L147 HydrophobicContact CD-CD2 4.5Å
126	E	98.5	Very high	97.6	Very high	25 Å²	25	40 Å²	40	12%	0.117	19%	0.188	C	C	.	.	H	α-helix	trans	-65.7	-42.5	-177.3	-70.9	-53.3	128.6	0	0	112.8	I122 I123 H129 L130 L230 L280 I282	I122-E126 PolarHBondContact O-N 2.76Å; I123-E126 PolarHBondContact O-N 3.49Å; E126-H129 PolarHBondContact O-N 3.01Å; E126-L130 PolarHBondContact O-N 3.46Å; E126-L230 HydrophobicContact CB-CD1 4.11Å; E126-L280 HydrophobicContact CB-CD2 4.16Å; E126-I282 HydrophobicContact CG-CD1 3.48Å; E126-I282 VanDerWaalsContact CG-CD1 3.48Å; E126-I282 HydrophobicContact CG-CG1 4.16Å
127	L	98.7	Very high	97.7	Very high	2 Å²	2	36.9 Å²	36.9	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-66.4	-37.6	176.8	-66.3	177	0	0	0	112.3	I123 H129 L130 F141 A226 L230 F232 Y275	I123-L127 HydrophobicContact CG2-CD1 3.55Å; I123-L127 HydrophobicContact CG2-CG 4.04Å; I123-L127 WeakPolarHBondContact O-CB 3.47Å; I123-L127 WeakPolarHBondContact O-CG 3.36Å; I123-L127 PolarHBondContact O-N 3.4Å; L127-H129 VanDerWaalsContact C-N 3.27Å; L127-H129 PolarHBondContact O-N 3.4Å; L127-L130 HydrophobicContact CD2-CD1 3.81Å; L127-L130 WeakPolarHBondContact O-CB 3.48Å; L127-L130 PolarHBondContact O-N 3.5Å; L127-F141 HydrophobicContact CB-CB 3.98Å; L127-F141 HydrophobicContact CB-CD1 4.17Å; L127-F141 HydrophobicContact CB-CD2 4.46Å; L127-F141 HydrophobicContact CB-CG 3.95Å; L127-F141 HydrophobicContact CD1-CD1 3.8Å; L127-F141 HydrophobicContact CD1-CE1 3.99Å; L127-F141 HydrophobicContact CD1-CG 4.41Å; L127-F141 HydrophobicContact CD2-CD1 4.17Å; L127-F141 HydrophobicContact CD2-CD2 4.22Å; L127-F141 HydrophobicContact CD2-CE1 4.05Å; L127-F141 HydrophobicContact CD2-CE2 4.11Å; L127-F141 HydrophobicContact CD2-CG 4.26Å; L127-F141 HydrophobicContact CD2-CZ 4.02Å; L127-F141 HydrophobicContact CG-CD1 4.28Å; L127-F141 HydrophobicContact CG-CG 4.44Å; L127-A226 HydrophobicContact CD2-CB 4.06Å; L127-L230 HydrophobicContact CD2-CD1 4.08Å; L127-F232 HydrophobicContact CD1-CD2 4.27Å; L127-F232 HydrophobicContact CD1-CE1 4.5Å; L127-F232 HydrophobicContact CD1-CE2 3.56Å; L127-F232 HydrophobicContact CD1-CZ 3.68Å; L127-F232 HydrophobicContact CD2-CD1 4.47Å; L127-F232 HydrophobicContact CD2-CD2 3.99Å; L127-F232 HydrophobicContact CD2-CE2 4.1Å; L127-F232 HydrophobicContact CD2-CG 4.18Å; L127-F232 HydrophobicContact CD2-CZ 4.37Å; L127-F232 HydrophobicContact CG-CE2 4.31Å; L127-Y275 HydrophobicContact CB-CE2 4.38Å; L127-Y275 HydrophobicContact CD1-CD1 3.64Å; L127-Y275 HydrophobicContact CD1-CD2 3.91Å; L127-Y275 HydrophobicContact CD1-CE1 3.53Å; L127-Y275 HydrophobicContact CD1-CE2 3.79Å; L127-Y275 HydrophobicContact CD1-CG 3.84Å
128	S	98.6	Very high	97.9	Very high	5 Å²	5	37.4 Å²	37.4	4%	0.035	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-37.6	172.4	179.2	0	0	0	0	111.8	S124 K125 L130 K131 L144	S124-S128 WeakPolarHBondContact O-CB 3.27Å; S124-S128 PolarHBondContact O-N 3.12Å; S124-S128 VanDerWaalsContact O-N 3.12Å; K125-S128 PolarHBondContact O-N 3.42Å; S128-L130 VanDerWaalsContact C-N 3.3Å; S128-L130 PolarHBondContact O-N 2.86Å; S128-K131 WeakPolarHBondContact O-CD 3.5Å; S128-K131 WeakPolarHBondContact O-CG 3.3Å; S128-L144 PolarHBondContact OG-N 3.44Å; S128-L144 PolarHBondContact OG-O 3.26Å
129	H	98.3	Very high	97.9	Very high	67 Å²	67	40.6 Å²	40.6	31%	0.31	19%	0.191	S	C	.	.	H	α-helix	trans	-75.3	-12.5	-179.5	-68.5	151.6	0	0	0	114.3	K125 E126 L127 K131 E132	K125-H129 VanDerWaalsContact O-CG 3.24Å; K125-H129 PolarHBondContact O-N 2.71Å; K125-H129 PolarHBondContact O-ND1 2.95Å; E126-H129 PolarHBondContact O-N 3.01Å; L127-H129 VanDerWaalsContact C-N 3.27Å; L127-H129 PolarHBondContact O-N 3.4Å; H129-K131 PolarHBondContact O-N 2.92Å; H129-K131 VanDerWaalsContact O-N 3.08Å; H129-E132 PolarHBondContact O-N 3.26Å
130	L	98.6	Very high	98.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-57.4	-25.5	176.7	-70.8	178.6	0	0	0	112.7	E126 L127 S128 E132 K133 Q137 T138 F141 A226 E229 L230	E126-L130 PolarHBondContact O-N 3.46Å; L127-L130 HydrophobicContact CD2-CD1 3.81Å; L127-L130 WeakPolarHBondContact O-CB 3.48Å; L127-L130 PolarHBondContact O-N 3.5Å; S128-L130 VanDerWaalsContact C-N 3.3Å; S128-L130 PolarHBondContact O-N 2.86Å; L130-E132 PolarHBondContact O-N 3.04Å; L130-K133 HydrophobicContact CD2-CG 4.23Å; L130-K133 PolarHBondContact O-N 3.28Å; L130-Q137 VanDerWaalsContact O-CA 3.26Å; L130-Q137 WeakPolarHBondContact O-CA 3.32Å; L130-Q137 VanDerWaalsContact O-CG 3.25Å; L130-Q137 WeakPolarHBondContact O-CG 3.45Å; L130-T138 CarbonylContact C-O 3.57Å; L130-T138 HydrophobicContact CB-CG2 4.05Å; L130-T138 HydrophobicContact CD1-CG2 4.03Å; L130-T138 PolarHBondContact O-N 3.41Å; L130-F141 HydrophobicContact CD1-CD2 3.74Å; L130-F141 HydrophobicContact CD1-CE2 3.75Å; L130-A226 HydrophobicContact CD1-CB 3.87Å; L130-E229 HydrophobicContact CD2-CB 3.87Å; L130-E229 HydrophobicContact CD2-CG 3.63Å; L130-L230 HydrophobicContact CD1-CD1 4.31Å; L130-L230 HydrophobicContact CD2-CD1 3.91Å; L130-L230 HydrophobicContact CD2-CG 4.43Å; L130-L230 HydrophobicContact CG-CD1 4.25Å
131	K	97.2	Very high	98.1	Very high	70 Å²	70	40.1 Å²	40.1	30%	0.304	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-66.9	-11.8	175.9	75.4	-166	175.4	-171.3	0	114.1	S128 H129 Q137 T138	S128-K131 WeakPolarHBondContact O-CD 3.5Å; S128-K131 WeakPolarHBondContact O-CG 3.3Å; H129-K131 PolarHBondContact O-N 2.92Å; H129-K131 VanDerWaalsContact O-N 3.08Å; K131-Q137 PolarHBondContact O-NE2 2.82Å; K131-T138 VanDerWaalsContact CA-O 3.28Å; K131-T138 WeakPolarHBondContact CA-O 3.38Å; K131-T138 PolarHBondContact N-O 3.43Å
132	E	97.1	Very high	98.2	Very high	126 Å²	126	40.3 Å²	40.3	59%	0.589	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-114.1	-6.6	-175.8	-56.6	179.8	-175.9	0	0	113.2	H129 L130 Q134	H129-E132 PolarHBondContact O-N 3.26Å; L130-E132 PolarHBondContact O-N 3.04Å; E132-Q134 PolarHBondContact O-NE2 3.46Å
133	K	97.3	Very high	98.2	Very high	47 Å²	47	39 Å²	39	20%	0.204	18%	0.184	C	C	.	.			trans	-68.7	156.1	178.6	-66	-68.2	-171.4	134.9	0	111.4	L130 N136 Q137 E229	L130-K133 HydrophobicContact CD2-CG 4.23Å; L130-K133 PolarHBondContact O-N 3.28Å; K133-N136 WeakPolarHBondContact CB-O 3.31Å; K133-Q137 WeakPolarHBondContact O-CB 3.44Å; K133-Q137 WeakPolarHBondContact O-CG 3.36Å; K133-E229 WeakPolarHBondContact CD-OE1 3.38Å; K133-E229 WeakPolarHBondContact CE-OE1 3.44Å; K133-E229 IonicContact NZ-OE1 2.82Å; K133-E229 PolarHBondContact NZ-OE1 3.22Å
134	Q	96.1	Very high	98.2	Very high	145 Å²	145	40.1 Å²	40.1	68%	0.678	19%	0.19	S	C	*	.	S	Bend	trans	-104.7	-22.8	-173.6	-59.7	-61	-54.7	0	0	113.8	E132 L255	E132-Q134 PolarHBondContact O-NE2 3.46Å; Q134-L255 WeakPolarHBondContact O-CD1 3.46Å
135	Q	97.6	Very high	98.1	Very high	112 Å²	112	43.8 Å²	43.8	52%	0.523	21%	0.209	S	C	.	.	S	Bend	trans	-100	-53.9	179.6	-66.2	-61.3	-67.1	0	0	110.7	L255 D257 G258	Q135-L255 CarbonylContact O-C 3.51Å; Q135-L255 WeakPolarHBondContact O-CB 3.29Å; Q135-D257 PolarHBondContact O-N 3.49Å; Q135-G258 PolarHBondContact O-N 2.94Å
136	N	98.6	Very high	98	Very high	9 Å²	9	45.1 Å²	45.1	5%	0.048	22%	0.218	C	C	.	.	S	Bend	trans	-119.9	103.7	180	-63.6	-56.1	0	0	0	108.7	K133 V225 E229 L255 D257	K133-N136 WeakPolarHBondContact CB-O 3.31Å; N136-V225 HydrophobicContact CB-CG1 3.95Å; N136-E229 HydrophobicContact CB-CB 3.74Å; N136-E229 HydrophobicContact CB-CG 4.34Å; N136-E229 WeakPolarHBondContact CB-OE2 3.26Å; N136-E229 PolarHBondContact ND2-OE2 2.74Å; N136-L255 CarbonylContact C-O 3.6Å; N136-L255 WeakPolarHBondContact CA-O 3.36Å; N136-D257 PolarHBondContact OD1-N 2.9Å
137	Q	98.7	Very high	98	Very high	47 Å²	47	44.4 Å²	44.4	22%	0.22	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-127.4	128.8	-170.6	-167.7	-165.8	1.6	0	0	110.9	L130 K131 K133 F254 L255	L130-Q137 VanDerWaalsContact O-CA 3.26Å; L130-Q137 WeakPolarHBondContact O-CA 3.32Å; L130-Q137 VanDerWaalsContact O-CG 3.25Å; L130-Q137 WeakPolarHBondContact O-CG 3.45Å; K131-Q137 PolarHBondContact O-NE2 2.82Å; K133-Q137 WeakPolarHBondContact O-CB 3.44Å; K133-Q137 WeakPolarHBondContact O-CG 3.36Å; Q137-F254 CarbonylContact O-C 3.54Å; Q137-F254 WeakPolarHBondContact O-CA 3.42Å; Q137-F254 VanDerWaalsContact O-CB 3.22Å; Q137-F254 WeakPolarHBondContact O-CB 3.33Å; Q137-L255 HydrophobicContact CB-CB 3.76Å; Q137-L255 HydrophobicContact CB-CD1 3.97Å; Q137-L255 HydrophobicContact CB-CG 3.84Å; Q137-L255 PolarHBondContact N-O 3.37Å; Q137-L255 PolarHBondContact O-N 2.9Å; Q137-L255 VanDerWaalsContact OE1-CD1 3.3Å
138	T	98.7	Very high	97.9	Very high	11 Å²	11	45.8 Å²	45.8	7%	0.067	22%	0.222	C	C	.	.			trans	-145.9	152.4	174.4	-173.3	0	0	0	0	111.7	L130 K131 G140 F141 A222 V225	L130-T138 CarbonylContact C-O 3.57Å; L130-T138 HydrophobicContact CB-CG2 4.05Å; L130-T138 HydrophobicContact CD1-CG2 4.03Å; L130-T138 PolarHBondContact O-N 3.41Å; K131-T138 VanDerWaalsContact CA-O 3.28Å; K131-T138 WeakPolarHBondContact CA-O 3.38Å; K131-T138 PolarHBondContact N-O 3.43Å; T138-G140 PolarHBondContact OG1-N 3.48Å; T138-G140 VanDerWaalsContact OG1-N 3.08Å; T138-F141 HydrophobicContact CG2-CD2 3.79Å; T138-F141 HydrophobicContact CG2-CE2 3.94Å; T138-A222 HydrophobicContact CG2-CB 4.44Å; T138-V225 HydrophobicContact CG2-CB 3.97Å; T138-V225 HydrophobicContact CG2-CG1 3.64Å
139	H	98	Very high	97.9	Very high	85 Å²	85	45.6 Å²	45.6	39%	0.394	22%	0.22	S	C	.	.	S	Bend	trans	-104.5	12.4	170.8	-60.3	77.3	0	0	0	111.4	R271	H139-R271 WeakPolarHBondContact O-CD 3.38Å; H139-R271 PolarHBondContact O-NE 3.21Å; H139-R271 PolarHBondContact O-NH1 3.42Å
140	G	98.4	Very high	97.9	Very high	7 Å²	7	42.4 Å²	42.4	7%	0.072	21%	0.205	C	C	.	.			trans	-79.9	-11.3	-173	0	0	0	0	0	115.1	T138 R271 I272	T138-G140 PolarHBondContact OG1-N 3.48Å; T138-G140 VanDerWaalsContact OG1-N 3.08Å; G140-R271 CarbonylContact O-C 3.51Å; G140-R271 WeakPolarHBondContact O-CA 3.48Å; G140-I272 PolarHBondContact O-N 3.07Å
141	F	98.8	Very high	97.9	Very high	8 Å²	8	46.4 Å²	46.4	4%	0.035	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-99.5	152.1	173.1	-64.3	-82.2	0	0	0	110.6	L127 L130 T138 G143 A222 L223 A226 F232 R271 I272 Y275	L127-F141 HydrophobicContact CB-CB 3.98Å; L127-F141 HydrophobicContact CB-CD1 4.17Å; L127-F141 HydrophobicContact CB-CD2 4.46Å; L127-F141 HydrophobicContact CB-CG 3.95Å; L127-F141 HydrophobicContact CD1-CD1 3.8Å; L127-F141 HydrophobicContact CD1-CE1 3.99Å; L127-F141 HydrophobicContact CD1-CG 4.41Å; L127-F141 HydrophobicContact CD2-CD1 4.17Å; L127-F141 HydrophobicContact CD2-CD2 4.22Å; L127-F141 HydrophobicContact CD2-CE1 4.05Å; L127-F141 HydrophobicContact CD2-CE2 4.11Å; L127-F141 HydrophobicContact CD2-CG 4.26Å; L127-F141 HydrophobicContact CD2-CZ 4.02Å; L127-F141 HydrophobicContact CG-CD1 4.28Å; L127-F141 HydrophobicContact CG-CG 4.44Å; L130-F141 HydrophobicContact CD1-CD2 3.74Å; L130-F141 HydrophobicContact CD1-CE2 3.75Å; T138-F141 HydrophobicContact CG2-CD2 3.79Å; T138-F141 HydrophobicContact CG2-CE2 3.94Å; F141-G143 PolarHBondContact O-N 3.31Å; F141-A222 HydrophobicContact CE2-CB 4.04Å; F141-A222 VanDerWaalsContact CE2-O 3.29Å; F141-A222 WeakPolarHBondContact CE2-O 3.25Å; F141-A222 HydrophobicContact CZ-CB 4.41Å; F141-L223 HydrophobicContact CZ-CD2 4.43Å; F141-A226 HydrophobicContact CE2-CB 3.66Å; F141-A226 HydrophobicContact CZ-CB 3.64Å; F141-F232 HydrophobicContact CE1-CD1 4.42Å; F141-F232 AromaticContact CE1-CE1 3.72Å; F141-F232 HydrophobicContact CE1-CE1 3.72Å; F141-F232 HydrophobicContact CE1-CZ 4.11Å; F141-F232 HydrophobicContact CZ-CD1 4.16Å; F141-F232 AromaticContact CZ-CE1 3.89Å; F141-F232 HydrophobicContact CZ-CE1 3.89Å; F141-R271 WeakPolarHBondContact O-CD 3.48Å; F141-I272 HydrophobicContact CD1-CB 3.8Å; F141-I272 HydrophobicContact CD1-CD1 4.46Å; F141-I272 HydrophobicContact CD1-CG2 3.98Å; F141-I272 HydrophobicContact CE1-CB 4.05Å; F141-I272 HydrophobicContact CE1-CD1 4.01Å; F141-I272 HydrophobicContact CE1-CG2 3.93Å; F141-I272 HydrophobicContact CZ-CD1 4.3Å; F141-Y275 HydrophobicContact CD1-CE1 4.04Å
142	I	98.6	Very high	97.8	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-67.1	132.6	-179.5	-161.5	70.8	0	0	0	111.2	L144 F192 E193 L243 R271 I272 I273 Y275	I142-L144 PolarHBondContact O-N 2.87Å; I142-F192 HydrophobicContact CG1-CB 3.93Å; I142-F192 HydrophobicContact CG1-CD1 4.25Å; I142-F192 HydrophobicContact CG1-CG 4.36Å; I142-F192 HydrophobicContact CG2-CD1 3.57Å; I142-F192 HydrophobicContact CG2-CE1 3.84Å; I142-F192 HydrophobicContact CG2-CG 4.26Å; I142-E193 HydrophobicContact CD1-CG 3.46Å; I142-E193 VanDerWaalsContact CD1-CG 3.46Å; I142-E193 WeakPolarHBondContact CD1-O 3.25Å; I142-E193 HydrophobicContact CG1-CG 3.92Å; I142-L243 HydrophobicContact CD1-CD1 4.39Å; I142-R271 HydrophobicContact CB-CB 4.39Å; I142-R271 HydrophobicContact CD1-CB 3.69Å; I142-R271 HydrophobicContact CD1-CG 3.79Å; I142-I272 PolarHBondContact N-O 2.77Å; I142-I272 VanDerWaalsContact N-O 3.07Å; I142-I273 HydrophobicContact CB-CG2 3.69Å; I142-I273 HydrophobicContact CD1-CG2 4.36Å; I142-I273 HydrophobicContact CG1-CG2 4.07Å; I142-I273 HydrophobicContact CG2-CB 4.45Å; I142-I273 HydrophobicContact CG2-CG2 3.78Å; I142-Y275 HydrophobicContact CG2-CE2 4.44Å; I142-Y275 PolarHBondContact N-OH 2.95Å
143	G	98.4	Very high	97.6	Very high	2 Å²	2	40.1 Å²	40.1	2%	0.021	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-68	123.1	172.2	0	0	0	0	0	111.4	F141 F192 E193	F141-G143 PolarHBondContact O-N 3.31Å; G143-F192 CarbonylContact O-C 3.54Å; G143-F192 VanDerWaalsContact O-CA 3.27Å; G143-F192 WeakPolarHBondContact O-CA 3.39Å; G143-E193 PolarHBondContact N-OE1 2.96Å; G143-E193 PolarHBondContact O-N 2.98Å
144	L	98.4	Very high	97.5	Very high	24 Å²	24	38.5 Å²	38.5	13%	0.126	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	121.9	163.2	-176.3	71.2	0	0	0	108.7	K125 S128 I142 D146 L190 F192	K125-L144 HydrophobicContact CG-CD2 3.59Å; S128-L144 PolarHBondContact OG-N 3.44Å; S128-L144 PolarHBondContact OG-O 3.26Å; I142-L144 PolarHBondContact O-N 2.87Å; L144-D146 WeakPolarHBondContact CD1-O 3.48Å; L144-L190 HydrophobicContact CD1-CB 3.87Å; L144-L190 HydrophobicContact CD1-CD2 4.1Å; L144-F192 HydrophobicContact CB-CD1 4.09Å; L144-F192 HydrophobicContact CB-CE1 4.06Å; L144-F192 HydrophobicContact CD1-CD1 3.78Å; L144-F192 HydrophobicContact CD1-CE1 3.55Å; L144-F192 HydrophobicContact CD1-CG 4.41Å; L144-F192 HydrophobicContact CD1-CZ 3.99Å; L144-F192 HydrophobicContact CG-CE1 4.38Å
145	N	97	Very high	97.5	Very high	78 Å²	78	31.9 Å²	31.9	42%	0.417	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	-44.2	179.5	-64.8	-25.7	0	0	0	111.8	E191 E193	N145-E191 WeakPolarHBondContact CA-O 3.26Å; N145-E191 HydrophobicContact CB-CG 4.27Å; N145-E191 WeakPolarHBondContact CB-O 3.4Å; N145-E191 PolarHBondContact N-O 2.68Å; N145-E193 PolarHBondContact ND2-N 3.45Å
146	D	96.3	Very high	97.3	Very high	74 Å²	74	31.1 Å²	31.1	40%	0.396	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	161.3	-176.9	-142.9	-23.6	0	0	0	111.5	L144 H148 E191	L144-D146 WeakPolarHBondContact CD1-O 3.48Å; D146-H148 IonicContact OD1-CE1 2.68Å; D146-H148 PolarHBondContact OD1-CE1 3.44Å; D146-H148 VanDerWaalsContact OD1-CE1 3.22Å; D146-H148 IonicContact OD1-NE2 3.48Å; D146-H148 PolarHBondContact OD1-NE2 2.92Å; D146-H148 IonicContact OD2-CE1 3.45Å; D146-H148 IonicContact OD2-NE2 2.69Å; D146-H148 PolarHBondContact OD2-NE2 2.89Å; D146-E191 HydrophobicContact CB-CB 4.02Å; D146-E191 PolarHBondContact N-O 2.93Å; D146-E191 PolarHBondContact O-N 3.23Å
147	L	97.8	Very high	97.2	Very high	9 Å²	9	33.5 Å²	33.5	5%	0.047	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	127.9	-176.2	171.8	70.1	0	0	0	110.3	E50 I121 K125 I188 I189 L190	E50-L147 HydrophobicContact CB-CD2 4.29Å; I121-L147 HydrophobicContact CB-CD2 4.41Å; I121-L147 HydrophobicContact CD1-CD1 4.48Å; I121-L147 HydrophobicContact CG1-CD1 4.17Å; I121-L147 HydrophobicContact CG1-CD2 4.28Å; I121-L147 HydrophobicContact CG2-CD2 3.42Å; I121-L147 VanDerWaalsContact CG2-CD2 3.42Å; K125-L147 HydrophobicContact CD-CD2 4.5Å; L147-I188 HydrophobicContact CD1-CD1 4.46Å; L147-I188 HydrophobicContact CD1-CG2 3.82Å; L147-I189 WeakPolarHBondContact CA-O 3.36Å; L147-L190 HydrophobicContact CD1-CD2 3.97Å; L147-L190 HydrophobicContact CD1-CG 3.76Å
148	H	98.3	Very high	97.1	Very high	32 Å²	32	31.3 Å²	31.3	15%	0.148	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	139.1	-179.7	-59.5	-58.4	0	0	0	112.7	C62 D146 V150 I188 I189	C62-H148 PolarHBondContact SG-CD2 2.94Å; D146-H148 IonicContact OD1-CE1 2.68Å; D146-H148 PolarHBondContact OD1-CE1 3.44Å; D146-H148 VanDerWaalsContact OD1-CE1 3.22Å; D146-H148 IonicContact OD1-NE2 3.48Å; D146-H148 PolarHBondContact OD1-NE2 2.92Å; D146-H148 IonicContact OD2-CE1 3.45Å; D146-H148 IonicContact OD2-NE2 2.69Å; D146-H148 PolarHBondContact OD2-NE2 2.89Å; H148-V150 HydrophobicContact CB-CG2 4.1Å; H148-I188 WeakPolarHBondContact O-CA 3.3Å; H148-I189 PolarHBondContact N-O 3.16Å; H148-I189 PolarHBondContact O-N 2.83Å
149	C	98.5	Very high	96.9	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	131.7	156.5	-170.9	0	0	0	0	109.3	Y48 C51 Q53 L57 F187 I188	Y48-C149 HydrophobicContact CD1-CB 3.98Å; Y48-C149 HydrophobicContact CE1-CB 3.99Å; C51-C149 PolarHBondContact SG-N 3.26Å; Q53-C149 PolarHBondContact NE2-O 3.02Å; Q53-C149 VanDerWaalsContact NE2-O 3.14Å; Q53-C149 PolarHBondContact OE1-O 3.4Å; L57-C149 PolarHBondContact N-O 3.03Å; C149-F187 CarbonylContact C-O 3.5Å; C149-F187 WeakPolarHBondContact CA-O 3.46Å; C149-I188 HydrophobicContact CB-CD1 3.89Å
150	V	98.2	Very high	96.9	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	142.8	-174.3	177.9	0	0	0	0	109.6	L57 W59 C62 H148 L186 F187 I189	L57-V150 CarbonylContact O-C 3.51Å; L57-V150 VanDerWaalsContact O-CA 3.25Å; L57-V150 WeakPolarHBondContact O-CA 3.3Å; W59-V150 HydrophobicContact CB-CG1 4.32Å; W59-V150 HydrophobicContact CD2-CG1 3.7Å; W59-V150 HydrophobicContact CE3-CG1 4.37Å; W59-V150 HydrophobicContact CG-CG1 3.66Å; C62-V150 HydrophobicContact CB-CG2 3.63Å; H148-V150 HydrophobicContact CB-CG2 4.1Å; V150-L186 CarbonylContact O-C 3.6Å; V150-L186 WeakPolarHBondContact O-CA 3.31Å; V150-F187 HydrophobicContact CB-CB 4.49Å; V150-F187 PolarHBondContact N-O 2.97Å; V150-F187 PolarHBondContact O-N 3.24Å; V150-I189 HydrophobicContact CB-CD1 4.26Å; V150-I189 HydrophobicContact CG2-CD1 3.71Å; V150-I189 HydrophobicContact CG2-CG1 4.08Å
151	Q	97.6	Very high	96.8	Very high	85 Å²	85	35.4 Å²	35.4	40%	0.397	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136.7	174.7	-171.5	174.2	43.3	0	0	110.9	P56 L57 D184 Q185 L186	P56-Q151 HydrophobicContact CB-CB 3.77Å; L57-Q151 PolarHBondContact O-N 2.87Å; Q151-D184 PolarHBondContact NE2-O 3.47Å; Q151-Q185 WeakPolarHBondContact CA-O 3.41Å; Q151-L186 HydrophobicContact CB-CD2 3.94Å; Q151-L186 HydrophobicContact CG-CD2 4.12Å
152	G	95.6	Very high	96.7	Very high	13 Å²	13	35.6 Å²	35.6	13%	0.134	19%	0.189	C	C	.	.	S	Bend	trans	137.9	171.3	173.6	0	0	0	0	0	113.8	W59 K183 Q185 F187	W59-G152 PolarHBondContact NE1-O 3.43Å; G152-K183 WeakPolarHBondContact CA-O 3.45Å; G152-Q185 PolarHBondContact N-O 3.17Å; G152-F187 WeakPolarHBondContact O-CE2 3.45Å
153	C	93.8	Very high	96.6	Very high	50 Å²	50	37.5 Å²	37.5	34%	0.338	20%	0.199	S	C	.	.	S	Bend	trans	-61.1	150.6	178.1	-59.5	0	0	0	0	112.3	W59	W59-C153 PolarHBondContact NE1-O 2.91Å
154	Y	94.2	Very high	96.5	Very high	13 Å²	13	38.9 Å²	38.9	5%	0.051	21%	0.21	C	C	.	.	P	Polyproline II helix	trans	-59	126.1	176	-144.7	-93.3	0	0	0	111.5	E81 F83 V97 F158 L159 P176 F181 F187	E81-Y154 WeakPolarHBondContact CB-OH 3.34Å; F83-Y154 WeakPolarHBondContact CE2-OH 2.99Å; F83-Y154 HydrophobicContact CZ-CE1 4.19Å; F83-Y154 VanDerWaalsContact CZ-OH 3.29Å; F83-Y154 WeakPolarHBondContact CZ-OH 3.41Å; V97-Y154 HydrophobicContact CG1-CE2 3.95Å; Y154-F158 HydrophobicContact CD1-CB 3.86Å; Y154-F158 HydrophobicContact CE1-CB 3.49Å; Y154-F158 VanDerWaalsContact CE1-CB 3.49Å; Y154-F158 HydrophobicContact CE1-CD1 4.43Å; Y154-F158 HydrophobicContact CE1-CG 4.38Å; Y154-L159 HydrophobicContact CD1-CD2 3.76Å; Y154-L159 HydrophobicContact CD1-CG 4.04Å; Y154-L159 HydrophobicContact CE1-CD2 4.45Å; Y154-L159 HydrophobicContact CG-CD2 4.43Å; Y154-P176 WeakPolarHBondContact CB-O 3.38Å; Y154-P176 HydrophobicContact CD1-CB 4.28Å; Y154-P176 HydrophobicContact CD1-CG 4Å; Y154-P176 HydrophobicContact CD2-CB 3.95Å; Y154-P176 HydrophobicContact CD2-CG 4.47Å; Y154-P176 HydrophobicContact CE1-CB 4.13Å; Y154-P176 HydrophobicContact CE1-CG 3.6Å; Y154-P176 HydrophobicContact CE2-CB 3.84Å; Y154-P176 HydrophobicContact CE2-CG 4.15Å; Y154-P176 HydrophobicContact CG-CB 4.16Å; Y154-P176 HydrophobicContact CG-CG 4.39Å; Y154-P176 VanDerWaalsContact CG-O 3.25Å; Y154-F181 AromaticContact CD2-CD2 3.92Å; Y154-F181 HydrophobicContact CD2-CD2 3.92Å; Y154-F181 HydrophobicContact CD2-CE2 4.1Å; Y154-F181 HydrophobicContact CG-CD2 4.45Å; Y154-F187 AromaticContact CD2-CE1 3.71Å; Y154-F187 HydrophobicContact CD2-CE1 3.71Å; Y154-F187 AromaticContact CD2-CZ 3.78Å; Y154-F187 HydrophobicContact CD2-CZ 3.78Å; Y154-F187 AromaticContact CE2-CE1 3.9Å; Y154-F187 HydrophobicContact CE2-CE1 3.9Å; Y154-F187 HydrophobicContact CE2-CZ 4.44Å
155	P	95.1	Very high	96.4	Very high	7 Å²	7	38.4 Å²	38.4	5%	0.045	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-64.7	140.6	-171.7	-25.8	34.1	0	0	0	113.3	W59 M68 E157 F158 L159	W59-P155 HydrophobicContact CB-CG 4.14Å; W59-P155 HydrophobicContact CD2-CG 3.4Å; W59-P155 HydrophobicContact CE3-CG 3.47Å; W59-P155 VanDerWaalsContact CE3-CG 3.47Å; W59-P155 HydrophobicContact CG-CG 3.71Å; W59-P155 HydrophobicContact CH2-CG 4.44Å; W59-P155 HydrophobicContact CZ2-CG 4.41Å; W59-P155 HydrophobicContact CZ3-CG 4Å; M68-P155 HydrophobicContact SD-CB 4.02Å; M68-P155 HydrophobicContact SD-CG 4.04Å; P155-E157 PolarHBondContact O-N 3.01Å; P155-E157 VanDerWaalsContact O-N 3.17Å; P155-F158 HydrophobicContact CB-CB 4.5Å; P155-F158 HydrophobicContact CB-CD2 3.88Å; P155-F158 HydrophobicContact CB-CG 4.49Å; P155-F158 HydrophobicContact CG-CD2 4.08Å; P155-F158 PolarHBondContact O-N 2.97Å; P155-L159 PolarHBondContact O-N 3.25Å
156	P	94.8	Very high	96.3	Very high	96 Å²	96	37.6 Å²	37.6	62%	0.623	20%	0.202	S	C	*	.	H	α-helix	trans	-55.8	-33.9	177.5	-26.6	35	0	0	0	114.2	L159 K160	P156-L159 PolarHBondContact O-N 3.42Å; P156-K160 WeakPolarHBondContact O-CB 3.27Å; P156-K160 PolarHBondContact O-N 3.35Å
157	E	95.9	Very high	96.3	Very high	59 Å²	59	41.8 Å²	41.8	28%	0.276	22%	0.22	S	C	.	.	H	α-helix	trans	-63.1	-40	175.4	-72.1	78	-177.7	0	0	112.5	M68 K69 P155 K160 A161	M68-E157 HydrophobicContact CB-CB 4.08Å; M68-E157 HydrophobicContact CB-CG 4.23Å; K69-E157 HydrophobicContact CB-CG 4.47Å; K69-E157 HydrophobicContact CG-CG 3.77Å; P155-E157 PolarHBondContact O-N 3.01Å; P155-E157 VanDerWaalsContact O-N 3.17Å; E157-K160 PolarHBondContact O-N 3.23Å; E157-A161 PolarHBondContact O-N 2.81Å; E157-A161 VanDerWaalsContact O-N 3.09Å
158	F	96.3	Very high	96.1	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-72.8	-40.1	178	-78	-119.2	0	0	0	110.8	W59 I63 M68 C71 F83 L95 V97 Y154 P155 K160 A161 W162	W59-F158 HydrophobicContact CZ3-CE1 4.21Å; W59-F158 HydrophobicContact CZ3-CE2 4.49Å; W59-F158 HydrophobicContact CZ3-CZ 4.15Å; I63-F158 HydrophobicContact CD1-CE2 4.48Å; I63-F158 HydrophobicContact CD1-CZ 3.72Å; M68-F158 HydrophobicContact CB-CD2 4.44Å; M68-F158 HydrophobicContact CB-CE2 3.94Å; M68-F158 HydrophobicContact CG-CE2 3.82Å; M68-F158 HydrophobicContact SD-CE2 4.13Å; C71-F158 HydrophobicContact CB-CE2 4.38Å; C71-F158 HydrophobicContact CB-CZ 4.48Å; C71-F158 VanDerWaalsContact SG-CE2 3.59Å; C71-F158 WeakPolarHBondContact SG-CZ 3.38Å; F83-F158 HydrophobicContact CB-CE1 4.28Å; F83-F158 AromaticContact CD1-CD1 3.93Å; F83-F158 HydrophobicContact CD1-CD1 3.93Å; F83-F158 HydrophobicContact CD1-CE1 4.42Å; F83-F158 AromaticContact CD2-CD1 3.57Å; F83-F158 HydrophobicContact CD2-CD1 3.57Å; F83-F158 AromaticContact CD2-CE1 3.71Å; F83-F158 HydrophobicContact CD2-CE1 3.71Å; F83-F158 HydrophobicContact CE1-CB 4.17Å; F83-F158 AromaticContact CE1-CD1 3.91Å; F83-F158 HydrophobicContact CE1-CD1 3.91Å; F83-F158 HydrophobicContact CE1-CG 4.38Å; F83-F158 AromaticContact CE2-CD1 3.55Å; F83-F158 HydrophobicContact CE2-CD1 3.55Å; F83-F158 HydrophobicContact CE2-CE1 4.13Å; F83-F158 AromaticContact CG-CD1 3.77Å; F83-F158 HydrophobicContact CG-CD1 3.77Å; F83-F158 AromaticContact CG-CE1 3.88Å; F83-F158 HydrophobicContact CG-CE1 3.88Å; F83-F158 HydrophobicContact CZ-CB 4.18Å; F83-F158 AromaticContact CZ-CD1 3.73Å; F83-F158 HydrophobicContact CZ-CD1 3.73Å; F83-F158 HydrophobicContact CZ-CG 4.42Å; L95-F158 HydrophobicContact CD1-CE1 4.44Å; L95-F158 HydrophobicContact CD1-CZ 4.15Å; V97-F158 HydrophobicContact CG2-CE1 4.15Å; Y154-F158 HydrophobicContact CD1-CB 3.86Å; Y154-F158 HydrophobicContact CE1-CB 3.49Å; Y154-F158 VanDerWaalsContact CE1-CB 3.49Å; Y154-F158 HydrophobicContact CE1-CD1 4.43Å; Y154-F158 HydrophobicContact CE1-CG 4.38Å; P155-F158 HydrophobicContact CB-CB 4.5Å; P155-F158 HydrophobicContact CB-CD2 3.88Å; P155-F158 HydrophobicContact CB-CG 4.49Å; P155-F158 HydrophobicContact CG-CD2 4.08Å; P155-F158 PolarHBondContact O-N 2.97Å; F158-K160 VanDerWaalsContact C-N 3.31Å; F158-K160 PolarHBondContact O-N 2.85Å; F158-A161 WeakPolarHBondContact O-CB 3.16Å; F158-A161 PolarHBondContact O-N 3.08Å; F158-A161 VanDerWaalsContact O-N 3.09Å; F158-W162 PolarHBondContact O-N 2.92Å
159	L	95.7	Very high	95.6	Very high	21 Å²	21	53.8 Å²	53.8	11%	0.11	27%	0.267	C	S	.	.	H	α-helix	trans	-57.6	-44.6	172.3	-68	178.9	0	0	0	111.9	Y154 P155 P156 A161 W162 D163 P176	Y154-L159 HydrophobicContact CD1-CD2 3.76Å; Y154-L159 HydrophobicContact CD1-CG 4.04Å; Y154-L159 HydrophobicContact CE1-CD2 4.45Å; Y154-L159 HydrophobicContact CG-CD2 4.43Å; P155-L159 PolarHBondContact O-N 3.25Å; P156-L159 PolarHBondContact O-N 3.42Å; L159-A161 VanDerWaalsContact C-N 3.29Å; L159-A161 PolarHBondContact O-N 3.23Å; L159-W162 WeakPolarHBondContact O-CB 3.43Å; L159-W162 PolarHBondContact O-N 3.28Å; L159-D163 VanDerWaalsContact O-CG 3.24Å; L159-D163 PolarHBondContact O-N 2.79Å; L159-P176 HydrophobicContact CD2-CG 4.15Å; L159-P176 WeakPolarHBondContact CD2-O 3.42Å
160	K	96.3	Very high	95.3	Very high	159 Å²	159	55.6 Å²	55.6	69%	0.691	29%	0.286	S	S	*	.	H	α-helix	trans	-62.2	-38.4	175.6	-177.2	-178.2	177.9	-176.7	0	112	P156 E157 F158 W162 A164	P156-K160 WeakPolarHBondContact O-CB 3.27Å; P156-K160 PolarHBondContact O-N 3.35Å; E157-K160 PolarHBondContact O-N 3.23Å; F158-K160 VanDerWaalsContact C-N 3.31Å; F158-K160 PolarHBondContact O-N 2.85Å; K160-W162 VanDerWaalsContact C-N 3.35Å; K160-A164 WeakPolarHBondContact O-CB 3.29Å; K160-A164 PolarHBondContact O-N 3Å; K160-A164 VanDerWaalsContact O-N 3.09Å
161	A	96.9	Very high	94.9	Very high	9 Å²	9	56.8 Å²	56.8	7%	0.074	29%	0.294	C	S	.	.	H	α-helix	trans	-67.7	-37.5	176.6	0	0	0	0	0	111.7	F83 E157 F158 L159 F165	F83-A161 HydrophobicContact CD1-CB 4.05Å; F83-A161 HydrophobicContact CE1-CB 4Å; E157-A161 PolarHBondContact O-N 2.81Å; E157-A161 VanDerWaalsContact O-N 3.09Å; F158-A161 WeakPolarHBondContact O-CB 3.16Å; F158-A161 PolarHBondContact O-N 3.08Å; F158-A161 VanDerWaalsContact O-N 3.09Å; L159-A161 VanDerWaalsContact C-N 3.29Å; L159-A161 PolarHBondContact O-N 3.23Å; A161-F165 PolarHBondContact O-N 3.35Å; A161-F165 VanDerWaalsContact O-N 3.15Å
162	W	96.8	Very high	94.5	Very high	13 Å²	13	61.6 Å²	61.6	5%	0.049	32%	0.316	C	S	.	.	H	α-helix	trans	-62.9	-51.4	173.3	-169.7	104.5	0	0	0	111	K73 E81 F158 L159 K160 A164 F165 D166 S171 N173 R175 P176	K73-W162 HydrophobicContact CD-CB 4.33Å; K73-W162 HydrophobicContact CD-CG 4.13Å; E81-W162 PolarHBondContact OE1-NE1 2.92Å; E81-W162 VanDerWaalsContact OE1-NE1 3.11Å; F158-W162 PolarHBondContact O-N 2.92Å; L159-W162 WeakPolarHBondContact O-CB 3.43Å; L159-W162 PolarHBondContact O-N 3.28Å; K160-W162 VanDerWaalsContact C-N 3.35Å; W162-A164 VanDerWaalsContact C-N 3.26Å; W162-A164 PolarHBondContact O-N 2.57Å; W162-F165 WeakPolarHBondContact O-CA 3.45Å; W162-F165 WeakPolarHBondContact O-CB 3.44Å; W162-F165 PolarHBondContact O-N 3.25Å; W162-D166 HydrophobicContact CE3-CB 4.15Å; W162-D166 HydrophobicContact CH2-CB 4.06Å; W162-D166 HydrophobicContact CZ3-CB 3.73Å; W162-D166 PolarHBondContact O-N 2.7Å; W162-S171 WeakPolarHBondContact CZ2-OG 3.43Å; W162-N173 WeakPolarHBondContact CZ2-O 3.27Å; W162-R175 HydrophobicContact CD2-CB 4.47Å; W162-R175 HydrophobicContact CD2-CG 4.18Å; W162-R175 HydrophobicContact CE3-CB 4.06Å; W162-R175 HydrophobicContact CE3-CG 3.67Å; W162-R175 HydrophobicContact CH2-CB 3.7Å; W162-R175 HydrophobicContact CH2-CG 4.24Å; W162-R175 HydrophobicContact CZ2-CB 4.07Å; W162-R175 HydrophobicContact CZ3-CB 3.68Å; W162-R175 HydrophobicContact CZ3-CG 3.72Å; W162-P176 HydrophobicContact CG-CG 4.34Å
163	D	96.6	Very high	94.3	Very high	44 Å²	44	61.9 Å²	61.9	24%	0.235	32%	0.315	C	S	.	.	H	α-helix	trans	-56.9	-40.5	178.3	-68.5	-30.2	0	0	0	112	L159 F165 Q167 R175	L159-D163 VanDerWaalsContact O-CG 3.24Å; L159-D163 PolarHBondContact O-N 2.79Å; D163-F165 VanDerWaalsContact C-N 3.31Å; D163-F165 PolarHBondContact O-N 2.95Å; D163-Q167 WeakPolarHBondContact O-CB 3.23Å; D163-Q167 WeakPolarHBondContact O-CG 3.32Å; D163-Q167 PolarHBondContact O-N 3.04Å; D163-R175 IonicContact OD1-CZ 3.79Å; D163-R175 IonicContact OD1-NE 2.87Å; D163-R175 PolarHBondContact OD1-NE 3.24Å; D163-R175 IonicContact OD1-NH2 3.48Å; D163-R175 PolarHBondContact OD1-NH2 3.14Å; D163-R175 IonicContact OD2-CZ 2.75Å; D163-R175 IonicContact OD2-NE 2.76Å; D163-R175 IonicContact OD2-NH2 3.79Å; D163-R175 PolarHBondContact OD2-NH2 3.43Å
164	A	96.8	Very high	94.1	Very high	30 Å²	30	62.9 Å²	62.9	25%	0.248	32%	0.317	C	S	.	.	H	α-helix	trans	-69.8	-27.9	178	0	0	0	0	0	113	K160 W162 R168	K160-A164 WeakPolarHBondContact O-CB 3.29Å; K160-A164 PolarHBondContact O-N 3Å; K160-A164 VanDerWaalsContact O-N 3.09Å; W162-A164 VanDerWaalsContact C-N 3.26Å; W162-A164 PolarHBondContact O-N 2.57Å; A164-R168 VanDerWaalsContact O-CG 3.27Å; A164-R168 WeakPolarHBondContact O-CG 3.46Å; A164-R168 PolarHBondContact O-NE 3.14Å; A164-R168 VanDerWaalsContact O-NE 3.11Å; A164-R168 PolarHBondContact O-NH2 3.47Å
165	F	95.4	Very high	94.1	Very high	14 Å²	14	67 Å²	67	6%	0.061	33%	0.332	C	S	.	.	H	α-helix	trans	-74.9	-49.7	174.4	179.2	-82.4	0	0	0	110.7	K73 E76 A161 W162 D163 Q167 R168 K169	K73-F165 HydrophobicContact CB-CB 3.86Å; K73-F165 HydrophobicContact CB-CD2 4.2Å; K73-F165 HydrophobicContact CB-CG 4.21Å; K73-F165 HydrophobicContact CD-CB 3.85Å; K73-F165 HydrophobicContact CD-CD1 4Å; K73-F165 HydrophobicContact CD-CD2 4.34Å; K73-F165 HydrophobicContact CD-CG 3.83Å; K73-F165 HydrophobicContact CG-CB 3.95Å; K73-F165 HydrophobicContact CG-CD1 4.39Å; K73-F165 HydrophobicContact CG-CD2 3.84Å; K73-F165 HydrophobicContact CG-CE2 4.39Å; K73-F165 HydrophobicContact CG-CG 3.82Å; K73-F165 WeakPolarHBondContact O-CD2 3.11Å; E76-F165 VanDerWaalsContact OE2-CE1 3.3Å; E76-F165 WeakPolarHBondContact OE2-CE1 3.43Å; A161-F165 PolarHBondContact O-N 3.35Å; A161-F165 VanDerWaalsContact O-N 3.15Å; W162-F165 WeakPolarHBondContact O-CA 3.45Å; W162-F165 WeakPolarHBondContact O-CB 3.44Å; W162-F165 PolarHBondContact O-N 3.25Å; D163-F165 VanDerWaalsContact C-N 3.31Å; D163-F165 PolarHBondContact O-N 2.95Å; F165-Q167 VanDerWaalsContact C-N 3.33Å; F165-Q167 PolarHBondContact O-N 2.93Å; F165-R168 PolarHBondContact O-N 3.19Å; F165-K169 HydrophobicContact CD2-CD 4.43Å; F165-K169 HydrophobicContact CE1-CB 4.19Å; F165-K169 HydrophobicContact CE2-CD 3.77Å; F165-K169 HydrophobicContact CZ-CB 4.31Å; F165-K169 HydrophobicContact CZ-CD 3.81Å; F165-K169 PolarHBondContact O-N 2.88Å
166	D	95.8	Very high	93.7	Very high	61 Å²	61	67 Å²	67	33%	0.326	33%	0.332	S	S	.	.	H	α-helix	trans	-56.1	-46.5	178.3	178.5	52	0	0	0	111.4	W162 R168 G170 S171	W162-D166 HydrophobicContact CE3-CB 4.15Å; W162-D166 HydrophobicContact CH2-CB 4.06Å; W162-D166 HydrophobicContact CZ3-CB 3.73Å; W162-D166 PolarHBondContact O-N 2.7Å; D166-R168 PolarHBondContact O-N 3.46Å; D166-R168 VanDerWaalsContact O-N 3.1Å; D166-G170 VanDerWaalsContact O-CA 3.23Å; D166-G170 WeakPolarHBondContact O-CA 3.45Å; D166-G170 PolarHBondContact O-N 2.82Å; D166-S171 PolarHBondContact OD1-N 3.24Å
167	Q	96.1	Very high	92.9	Very high	163 Å²	163	62.5 Å²	62.5	76%	0.762	30%	0.304	S	S	*	.	H	α-helix	trans	-60	-26.9	175.6	-73.3	170.8	24.4	0	0	114.5	D163 F165	D163-Q167 WeakPolarHBondContact O-CB 3.23Å; D163-Q167 WeakPolarHBondContact O-CG 3.32Å; D163-Q167 PolarHBondContact O-N 3.04Å; F165-Q167 VanDerWaalsContact C-N 3.33Å; F165-Q167 PolarHBondContact O-N 2.93Å
168	R	93	Very high	91.6	Very high	162 Å²	162	64.8 Å²	64.8	61%	0.611	32%	0.322	S	S	*	.	H	α-helix	trans	-94.5	-39.1	-176.4	-73.9	-173	-56.9	-116	-1.6	113.4	A164 F165 D166	A164-R168 VanDerWaalsContact O-CG 3.27Å; A164-R168 WeakPolarHBondContact O-CG 3.46Å; A164-R168 PolarHBondContact O-NE 3.14Å; A164-R168 VanDerWaalsContact O-NE 3.11Å; A164-R168 PolarHBondContact O-NH2 3.47Å; F165-R168 PolarHBondContact O-N 3.19Å; D166-R168 PolarHBondContact O-N 3.46Å; D166-R168 VanDerWaalsContact O-N 3.1Å
169	K	88.7	Confident	90.3	Very high	130 Å²	130	71.7 Å²	71.7	57%	0.565	36%	0.359	S	S	*	.	H	α-helix	trans	-119.6	-18.5	-171.5	-73	-166.4	172.3	-166.6	0	113.7	F165	F165-K169 HydrophobicContact CD2-CD 4.43Å; F165-K169 HydrophobicContact CE1-CB 4.19Å; F165-K169 HydrophobicContact CE2-CD 3.77Å; F165-K169 HydrophobicContact CZ-CB 4.31Å; F165-K169 HydrophobicContact CZ-CD 3.81Å; F165-K169 PolarHBondContact O-N 2.88Å
170	G	90.9	Very high	89.1	Confident	39 Å²	39	73.6 Å²	73.6	40%	0.402	37%	0.366	S	S	.	.			trans	74.9	141.1	-157.3	0	0	0	0	0	110.4	D166	D166-G170 VanDerWaalsContact O-CA 3.23Å; D166-G170 WeakPolarHBondContact O-CA 3.45Å; D166-G170 PolarHBondContact O-N 2.82Å
171	S	90.6	Very high	88.6	Confident	24 Å²	24	66.2 Å²	66.2	17%	0.168	33%	0.334	C	S	.	.			trans	-109.3	138.5	167.1	-164.3	0	0	0	0	109.4	K73 E76 W162 D166 N173	K73-S171 PolarHBondContact NZ-OG 3.47Å; K73-S171 VanDerWaalsContact NZ-OG 3.15Å; E76-S171 WeakPolarHBondContact OE1-CA 3.38Å; E76-S171 PolarHBondContact OE1-OG 3.28Å; E76-S171 WeakPolarHBondContact OE2-CB 3.39Å; E76-S171 PolarHBondContact OE2-OG 3.44Å; W162-S171 WeakPolarHBondContact CZ2-OG 3.43Å; D166-S171 PolarHBondContact OD1-N 3.24Å; S171-N173 VanDerWaalsContact C-N 3.33Å; S171-N173 PolarHBondContact OG-N 3.12Å
172	E	89	Confident	88.2	Confident	187 Å²	187	72.6 Å²	72.6	87%	0.874	36%	0.362	S	S	*	.	S	Bend	trans	-85.3	-14.7	169.9	-60.6	-171.7	159	0	0	111.7	E76	E76-E172 PolarHBondContact OE1-N 3.42Å
173	N	91.4	Very high	87.8	Confident	19 Å²	19	80.2 Å²	80.2	10%	0.102	40%	0.396	C	S	.	.	S	Bend	trans	-84.7	159	179.9	-79.6	7.3	0	0	0	112.9	G77 G80 E81 N107 W162 S171	G77-N173 PolarHBondContact O-ND2 3.27Å; G77-N173 VanDerWaalsContact O-ND2 3.08Å; G80-N173 PolarHBondContact O-ND2 3.06Å; E81-N173 WeakPolarHBondContact OE1-CB 3.33Å; E81-N173 PolarHBondContact OE1-ND2 3.03Å; N107-N173 VanDerWaalsContact ND2-CG 3.3Å; N107-N173 PolarHBondContact ND2-ND2 3.07Å; N107-N173 VanDerWaalsContact ND2-ND2 3.19Å; N107-N173 PolarHBondContact ND2-OD1 3.09Å; N107-N173 WeakPolarHBondContact OD1-CA 3.44Å; N107-N173 WeakPolarHBondContact OD1-CB 3.5Å; W162-N173 WeakPolarHBondContact CZ2-O 3.27Å; S171-N173 VanDerWaalsContact C-N 3.33Å; S171-N173 PolarHBondContact OG-N 3.12Å
174	D	90.4	Very high	87.7	Confident	71 Å²	71	83.2 Å²	83.2	38%	0.38	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-70.6	145.2	167.4	-65.6	-50.4	0	0	0	110.3	N107 P176 F180	N107-D174 WeakPolarHBondContact CA-OD2 3.38Å; N107-D174 PolarHBondContact N-OD2 3.08Å; N107-D174 PolarHBondContact OD1-N 3.42Å; D174-P176 WeakPolarHBondContact O-CD 3.31Å; D174-F180 HydrophobicContact CB-CE1 4.46Å; D174-F180 HydrophobicContact CB-CE2 4.36Å; D174-F180 HydrophobicContact CB-CZ 3.95Å
175	R	92.6	Very high	87.7	Confident	98 Å²	98	82.5 Å²	82.5	37%	0.37	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-67.7	120.4	176.3	-175	178.1	-173.5	-82.4	0.2	109.8	W162 D163 G177 F180	W162-R175 HydrophobicContact CD2-CB 4.47Å; W162-R175 HydrophobicContact CD2-CG 4.18Å; W162-R175 HydrophobicContact CE3-CB 4.06Å; W162-R175 HydrophobicContact CE3-CG 3.67Å; W162-R175 HydrophobicContact CH2-CB 3.7Å; W162-R175 HydrophobicContact CH2-CG 4.24Å; W162-R175 HydrophobicContact CZ2-CB 4.07Å; W162-R175 HydrophobicContact CZ3-CB 3.68Å; W162-R175 HydrophobicContact CZ3-CG 3.72Å; D163-R175 IonicContact OD1-CZ 3.79Å; D163-R175 IonicContact OD1-NE 2.87Å; D163-R175 PolarHBondContact OD1-NE 3.24Å; D163-R175 IonicContact OD1-NH2 3.48Å; D163-R175 PolarHBondContact OD1-NH2 3.14Å; D163-R175 IonicContact OD2-CZ 2.75Å; D163-R175 IonicContact OD2-NE 2.76Å; D163-R175 IonicContact OD2-NH2 3.79Å; D163-R175 PolarHBondContact OD2-NH2 3.43Å; R175-G177 PolarHBondContact O-N 3.38Å; R175-F180 WeakPolarHBondContact O-CD2 3.42Å; R175-F180 WeakPolarHBondContact O-CE2 3.32Å
176	P	87.3	Confident	87.8	Confident	7 Å²	7	82.9 Å²	82.9	5%	0.045	41%	0.406	C	S	.	.			trans	-78.6	49.3	-170	32.2	-37.4	0	0	0	113.6	Y154 L159 W162 D174 F181	Y154-P176 WeakPolarHBondContact CB-O 3.38Å; Y154-P176 HydrophobicContact CD1-CB 4.28Å; Y154-P176 HydrophobicContact CD1-CG 4Å; Y154-P176 HydrophobicContact CD2-CB 3.95Å; Y154-P176 HydrophobicContact CD2-CG 4.47Å; Y154-P176 HydrophobicContact CE1-CB 4.13Å; Y154-P176 HydrophobicContact CE1-CG 3.6Å; Y154-P176 HydrophobicContact CE2-CB 3.84Å; Y154-P176 HydrophobicContact CE2-CG 4.15Å; Y154-P176 HydrophobicContact CG-CB 4.16Å; Y154-P176 HydrophobicContact CG-CG 4.39Å; Y154-P176 VanDerWaalsContact CG-O 3.25Å; L159-P176 HydrophobicContact CD2-CG 4.15Å; L159-P176 WeakPolarHBondContact CD2-O 3.42Å; W162-P176 HydrophobicContact CG-CG 4.34Å; D174-P176 WeakPolarHBondContact O-CD 3.31Å; P176-F181 HydrophobicContact CB-CD2 4.15Å; P176-F181 HydrophobicContact CB-CE2 3.57Å; P176-F181 WeakPolarHBondContact O-CD2 3.34Å
177	G	78.6	Confident	87.9	Confident	3 Å²	3	80 Å²	80	3%	0.031	39%	0.391	C	S	.	.	S	Bend	trans	-87.5	-170.9	-172.3	0	0	0	0	0	115.4	R175 D179 F180 F181	R175-G177 PolarHBondContact O-N 3.38Å; G177-D179 PolarHBondContact O-N 2.94Å; G177-D179 VanDerWaalsContact O-N 3.12Å; G177-F180 PolarHBondContact O-N 2.65Å; G177-F181 PolarHBondContact O-N 2.99Å; G177-F181 VanDerWaalsContact O-N 3.12Å
178	T	68.2	Low	88	Confident	107 Å²	107	72.2 Å²	72.2	66%	0.656	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-13.6	178.2	49.2	0	0	0	0	114.3	F180	T178-F180 PolarHBondContact O-N 2.73Å
179	D	68.9	Low	88.2	Confident	145 Å²	145	64.7 Å²	64.7	78%	0.775	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-12.5	174.2	-55	-29.7	0	0	0	111.6	G177	G177-D179 PolarHBondContact O-N 2.94Å; G177-D179 VanDerWaalsContact O-N 3.12Å
180	F	71.5	Confident	88.7	Confident	60 Å²	60	58.5 Å²	58.5	26%	0.263	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.4	-34.7	-179.1	-67.3	-88.1	0	0	0	113.5	D174 R175 G177 T178	D174-F180 HydrophobicContact CB-CE1 4.46Å; D174-F180 HydrophobicContact CB-CE2 4.36Å; D174-F180 HydrophobicContact CB-CZ 3.95Å; R175-F180 WeakPolarHBondContact O-CD2 3.42Å; R175-F180 WeakPolarHBondContact O-CE2 3.32Å; G177-F180 PolarHBondContact O-N 2.65Å; T178-F180 PolarHBondContact O-N 2.73Å
181	F	85.4	Confident	89	Confident	5 Å²	5	57.5 Å²	57.5	2%	0.022	28%	0.284	C	S	.	.			trans	-124.5	108.7	-168.2	-58.3	-46.3	0	0	0	113	P99 V106 Y154 P176 G177 Q185 F187	P99-F181 HydrophobicContact CB-CE1 3.64Å; P99-F181 HydrophobicContact CB-CZ 3.67Å; P99-F181 HydrophobicContact CG-CE1 4.27Å; P99-F181 HydrophobicContact CG-CZ 3.89Å; V106-F181 HydrophobicContact CG1-CZ 4.31Å; V106-F181 HydrophobicContact CG2-CE1 3.83Å; V106-F181 HydrophobicContact CG2-CZ 3.74Å; Y154-F181 AromaticContact CD2-CD2 3.92Å; Y154-F181 HydrophobicContact CD2-CD2 3.92Å; Y154-F181 HydrophobicContact CD2-CE2 4.1Å; Y154-F181 HydrophobicContact CG-CD2 4.45Å; P176-F181 HydrophobicContact CB-CD2 4.15Å; P176-F181 HydrophobicContact CB-CE2 3.57Å; P176-F181 WeakPolarHBondContact O-CD2 3.34Å; G177-F181 PolarHBondContact O-N 2.99Å; G177-F181 VanDerWaalsContact O-N 3.12Å; F181-Q185 HydrophobicContact CB-CB 4.17Å; F181-Q185 HydrophobicContact CB-CG 4Å; F181-Q185 HydrophobicContact CD1-CB 4.34Å; F181-Q185 VanDerWaalsContact CD1-CD 3.45Å; F181-Q185 HydrophobicContact CD1-CG 3.44Å; F181-Q185 VanDerWaalsContact CD1-CG 3.44Å; F181-Q185 VanDerWaalsContact CD1-OE1 3.31Å; F181-Q185 HydrophobicContact CE1-CG 4.15Å; F181-Q185 HydrophobicContact CG-CG 3.94Å; F181-F187 HydrophobicContact CB-CZ 4.18Å; F181-F187 HydrophobicContact CD1-CZ 4.09Å; F181-F187 HydrophobicContact CD2-CE1 4.2Å; F181-F187 AromaticContact CD2-CZ 3.82Å; F181-F187 HydrophobicContact CD2-CZ 3.82Å; F181-F187 HydrophobicContact CE1-CE1 4.46Å; F181-F187 HydrophobicContact CE1-CZ 4.42Å; F181-F187 HydrophobicContact CE2-CE1 4.09Å; F181-F187 HydrophobicContact CE2-CZ 4.18Å; F181-F187 HydrophobicContact CG-CE1 4.43Å; F181-F187 AromaticContact CG-CZ 3.77Å; F181-F187 HydrophobicContact CG-CZ 3.77Å; F181-F187 HydrophobicContact CZ-CE1 4.23Å; F181-F187 HydrophobicContact CZ-CZ 4.47Å
182	E	87.4	Confident	89.4	Confident	142 Å²	142	57.4 Å²	57.4	66%	0.664	28%	0.281	S	S	*	.			trans	-82.5	-173.3	172.7	-64	-158.2	177.5	0	0	112.2	D184 Q185	E182-D184 VanDerWaalsContact C-N 3.3Å; E182-D184 WeakPolarHBondContact CB-OD1 3.37Å; E182-D184 PolarHBondContact O-N 2.98Å; E182-Q185 WeakPolarHBondContact O-CB 3.24Å; E182-Q185 PolarHBondContact O-N 3.34Å
183	K	90.3	Very high	89.8	Confident	173 Å²	173	50.9 Å²	50.9	75%	0.752	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-19.8	-173.1	-68.5	-178.4	-179.5	178.9	0	113.9	G152	G152-K183 WeakPolarHBondContact CA-O 3.45Å
184	D	93	Very high	90	Very high	107 Å²	107	52.8 Å²	52.8	57%	0.572	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.3	-9.3	-180	59.2	-28	0	0	0	113	Q151 E182 L186	Q151-D184 PolarHBondContact NE2-O 3.47Å; E182-D184 VanDerWaalsContact C-N 3.3Å; E182-D184 WeakPolarHBondContact CB-OD1 3.37Å; E182-D184 PolarHBondContact O-N 2.98Å; D184-L186 PolarHBondContact O-N 3.22Å
185	Q	96.3	Very high	90.3	Very high	16 Å²	16	49.5 Å²	49.5	8%	0.075	24%	0.24	C	C	.	.			trans	-53.4	133.4	175.4	178.3	65.8	52.8	0	0	111.4	L100 Q151 G152 F181 E182 F187	L100-Q185 PolarHBondContact O-NE2 3.3Å; Q151-Q185 WeakPolarHBondContact CA-O 3.41Å; G152-Q185 PolarHBondContact N-O 3.17Å; F181-Q185 HydrophobicContact CB-CB 4.17Å; F181-Q185 HydrophobicContact CB-CG 4Å; F181-Q185 HydrophobicContact CD1-CB 4.34Å; F181-Q185 VanDerWaalsContact CD1-CD 3.45Å; F181-Q185 HydrophobicContact CD1-CG 3.44Å; F181-Q185 VanDerWaalsContact CD1-CG 3.44Å; F181-Q185 VanDerWaalsContact CD1-OE1 3.31Å; F181-Q185 HydrophobicContact CE1-CG 4.15Å; F181-Q185 HydrophobicContact CG-CG 3.94Å; E182-Q185 WeakPolarHBondContact O-CB 3.24Å; E182-Q185 PolarHBondContact O-N 3.34Å; Q185-F187 HydrophobicContact CB-CE2 3.99Å; Q185-F187 HydrophobicContact CB-CZ 4.4Å; Q185-F187 HydrophobicContact CG-CD2 4.1Å; Q185-F187 HydrophobicContact CG-CE1 4.25Å; Q185-F187 HydrophobicContact CG-CE2 3.3Å; Q185-F187 HydrophobicContact CG-CZ 3.39Å
186	L	97.6	Very high	90.5	Very high	22 Å²	22	45.5 Å²	45.5	12%	0.115	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	146.7	178.1	-67.2	163	0	0	0	111.2	P56 L100 E101 F114 V150 Q151 D184	P56-L186 HydrophobicContact CB-CD2 3.9Å; P56-L186 HydrophobicContact CG-CD2 3.53Å; L100-L186 HydrophobicContact CB-CB 4.42Å; L100-L186 PolarHBondContact N-O 2.92Å; E101-L186 HydrophobicContact CB-CD1 4.12Å; E101-L186 HydrophobicContact CG-CD1 4.28Å; F114-L186 HydrophobicContact CE2-CD1 3.94Å; F114-L186 HydrophobicContact CZ-CD1 3.63Å; V150-L186 CarbonylContact O-C 3.6Å; V150-L186 WeakPolarHBondContact O-CA 3.31Å; Q151-L186 HydrophobicContact CB-CD2 3.94Å; Q151-L186 HydrophobicContact CG-CD2 4.12Å; D184-L186 PolarHBondContact O-N 3.22Å
187	F	97.8	Very high	90.8	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149.3	175.3	-61.5	-91.9	0	0	0	110.1	W59 V97 I98 P99 C149 V150 G152 Y154 F181 Q185	W59-F187 HydrophobicContact CZ2-CB 4.36Å; W59-F187 HydrophobicContact CZ2-CD1 4.29Å; W59-F187 AromaticContact CZ2-CD2 3.79Å; W59-F187 HydrophobicContact CZ2-CD2 3.79Å; W59-F187 HydrophobicContact CZ2-CE2 4.13Å; W59-F187 AromaticContact CZ2-CG 3.88Å; W59-F187 HydrophobicContact CZ2-CG 3.88Å; V97-F187 HydrophobicContact CG1-CD1 3.83Å; V97-F187 HydrophobicContact CG1-CE1 4.5Å; V97-F187 HydrophobicContact CG1-CG 4.46Å; I98-F187 CarbonylContact O-C 3.49Å; I98-F187 WeakPolarHBondContact O-CA 3.44Å; P99-F187 HydrophobicContact CB-CD1 3.99Å; P99-F187 HydrophobicContact CB-CE1 3.78Å; C149-F187 CarbonylContact C-O 3.5Å; C149-F187 WeakPolarHBondContact CA-O 3.46Å; V150-F187 HydrophobicContact CB-CB 4.49Å; V150-F187 PolarHBondContact N-O 2.97Å; V150-F187 PolarHBondContact O-N 3.24Å; G152-F187 WeakPolarHBondContact O-CE2 3.45Å; Y154-F187 AromaticContact CD2-CE1 3.71Å; Y154-F187 HydrophobicContact CD2-CE1 3.71Å; Y154-F187 AromaticContact CD2-CZ 3.78Å; Y154-F187 HydrophobicContact CD2-CZ 3.78Å; Y154-F187 AromaticContact CE2-CE1 3.9Å; Y154-F187 HydrophobicContact CE2-CE1 3.9Å; Y154-F187 HydrophobicContact CE2-CZ 4.44Å; F181-F187 HydrophobicContact CB-CZ 4.18Å; F181-F187 HydrophobicContact CD1-CZ 4.09Å; F181-F187 HydrophobicContact CD2-CE1 4.2Å; F181-F187 AromaticContact CD2-CZ 3.82Å; F181-F187 HydrophobicContact CD2-CZ 3.82Å; F181-F187 HydrophobicContact CE1-CE1 4.46Å; F181-F187 HydrophobicContact CE1-CZ 4.42Å; F181-F187 HydrophobicContact CE2-CE1 4.09Å; F181-F187 HydrophobicContact CE2-CZ 4.18Å; F181-F187 HydrophobicContact CG-CE1 4.43Å; F181-F187 AromaticContact CG-CZ 3.77Å; F181-F187 HydrophobicContact CG-CZ 3.77Å; F181-F187 HydrophobicContact CZ-CE1 4.23Å; F181-F187 HydrophobicContact CZ-CZ 4.47Å; Q185-F187 HydrophobicContact CB-CE2 3.99Å; Q185-F187 HydrophobicContact CB-CZ 4.4Å; Q185-F187 HydrophobicContact CG-CD2 4.1Å; Q185-F187 HydrophobicContact CG-CE1 4.25Å; Q185-F187 HydrophobicContact CG-CE2 3.3Å; Q185-F187 HydrophobicContact CG-CZ 3.39Å
188	I	98.3	Very high	91.7	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	133.3	157.8	-78	-73.1	0	0	0	108.9	V47 I98 L100 I117 I121 L147 H148 C149 L190	V47-I188 HydrophobicContact CG1-CD1 3.62Å; V47-I188 HydrophobicContact CG1-CG1 4.43Å; I98-I188 PolarHBondContact N-O 3.13Å; I98-I188 PolarHBondContact O-N 3.42Å; L100-I188 HydrophobicContact CD1-CB 4.08Å; L100-I188 HydrophobicContact CD1-CD1 4.48Å; L100-I188 HydrophobicContact CD1-CG1 3.32Å; L100-I188 HydrophobicContact CG-CG1 4.33Å; I117-I188 HydrophobicContact CG1-CB 4.44Å; I117-I188 HydrophobicContact CG1-CG1 4.3Å; I117-I188 HydrophobicContact CG1-CG2 4.49Å; I121-I188 HydrophobicContact CD1-CD1 4Å; I121-I188 HydrophobicContact CD1-CG1 4.29Å; I121-I188 HydrophobicContact CD1-CG2 4.44Å; L147-I188 HydrophobicContact CD1-CD1 4.46Å; L147-I188 HydrophobicContact CD1-CG2 3.82Å; H148-I188 WeakPolarHBondContact O-CA 3.3Å; C149-I188 HydrophobicContact CB-CD1 3.89Å; I188-L190 HydrophobicContact CG2-CD1 3.6Å; I188-L190 HydrophobicContact CG2-CG 3.97Å
189	I	98.3	Very high	93.1	Very high	3 Å²	3	44.6 Å²	44.6	2%	0.015	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	112.4	173.8	-53.2	-174.2	0	0	0	107.9	W59 I63 L95 K96 V97 L147 H148 V150	W59-I189 HydrophobicContact CE3-CD1 3.85Å; W59-I189 HydrophobicContact CH2-CD1 3.65Å; W59-I189 HydrophobicContact CH2-CG1 4.42Å; W59-I189 HydrophobicContact CZ2-CD1 4.45Å; W59-I189 HydrophobicContact CZ3-CD1 3.3Å; W59-I189 HydrophobicContact CZ3-CG1 4.46Å; I63-I189 HydrophobicContact CD1-CD1 3.9Å; I63-I189 HydrophobicContact CD1-CG2 4.4Å; L95-I189 HydrophobicContact CB-CG2 4.39Å; L95-I189 HydrophobicContact CD2-CG2 4.17Å; K96-I189 WeakPolarHBondContact O-CA 3.33Å; V97-I189 HydrophobicContact CG2-CG1 4.37Å; L147-I189 WeakPolarHBondContact CA-O 3.36Å; H148-I189 PolarHBondContact N-O 3.16Å; H148-I189 PolarHBondContact O-N 2.83Å; V150-I189 HydrophobicContact CB-CD1 4.26Å; V150-I189 HydrophobicContact CG2-CD1 3.71Å; V150-I189 HydrophobicContact CG2-CG1 4.08Å
190	L	98.2	Very high	94.3	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	117	170	-57.8	107.3	0	0	0	108.7	L95 K96 I98 L144 L147 I188 F192	L95-L190 WeakPolarHBondContact CA-O 3.45Å; K96-L190 HydrophobicContact CB-CB 4.43Å; K96-L190 HydrophobicContact CB-CD1 4.4Å; K96-L190 PolarHBondContact N-O 3.47Å; K96-L190 PolarHBondContact O-N 2.81Å; I98-L190 HydrophobicContact CD1-CD1 3.79Å; L144-L190 HydrophobicContact CD1-CB 3.87Å; L144-L190 HydrophobicContact CD1-CD2 4.1Å; L147-L190 HydrophobicContact CD1-CD2 3.97Å; L147-L190 HydrophobicContact CD1-CG 3.76Å; I188-L190 HydrophobicContact CG2-CD1 3.6Å; I188-L190 HydrophobicContact CG2-CG 3.97Å; L190-F192 HydrophobicContact CB-CD2 4.1Å; L190-F192 HydrophobicContact CB-CE2 3.39Å; L190-F192 HydrophobicContact CB-CZ 3.67Å; L190-F192 HydrophobicContact CD2-CE2 4.42Å; L190-F192 HydrophobicContact CD2-CZ 3.89Å; L190-F192 HydrophobicContact CG-CE2 4.36Å; L190-F192 HydrophobicContact CG-CZ 4.32Å
191	E	98.1	Very high	95.3	Very high	19 Å²	19	43.2 Å²	43.2	9%	0.089	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	110.4	173.1	-176.2	175	132.3	0	0	109.8	R67 V93 A94 L95 N145 D146	R67-E191 IonicContact CZ-OE2 3.33Å; R67-E191 IonicContact NH1-OE2 3.92Å; R67-E191 PolarHBondContact NH1-OE2 3.22Å; R67-E191 IonicContact NH2-OE1 3.82Å; R67-E191 IonicContact NH2-OE2 2.89Å; R67-E191 PolarHBondContact NH2-OE2 3.31Å; V93-E191 HydrophobicContact CB-CG 3.92Å; V93-E191 HydrophobicContact CG1-CG 4.32Å; V93-E191 HydrophobicContact CG2-CG 4.01Å; A94-E191 CarbonylContact O-C 3.48Å; A94-E191 WeakPolarHBondContact O-CA 3.4Å; L95-E191 HydrophobicContact CD2-CB 3.77Å; L95-E191 HydrophobicContact CD2-CG 3.75Å; N145-E191 WeakPolarHBondContact CA-O 3.26Å; N145-E191 HydrophobicContact CB-CG 4.27Å; N145-E191 WeakPolarHBondContact CB-O 3.4Å; N145-E191 PolarHBondContact N-O 2.68Å; D146-E191 HydrophobicContact CB-CB 4.02Å; D146-E191 PolarHBondContact N-O 2.93Å; D146-E191 PolarHBondContact O-N 3.23Å
192	F	98.3	Very high	95.7	Very high	22 Å²	22	43.1 Å²	43.1	10%	0.096	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	155.8	177.1	-62.8	-75.7	0	0	0	112	V93 A94 K96 I142 G143 L144 L190	V93-F192 WeakPolarHBondContact CA-O 3.44Å; V93-F192 WeakPolarHBondContact CB-O 3.45Å; A94-F192 HydrophobicContact CB-CB 4.46Å; A94-F192 PolarHBondContact N-O 3.35Å; A94-F192 PolarHBondContact O-N 3.1Å; K96-F192 HydrophobicContact CB-CD2 4.45Å; K96-F192 HydrophobicContact CB-CE2 4.02Å; I142-F192 HydrophobicContact CG1-CB 3.93Å; I142-F192 HydrophobicContact CG1-CD1 4.25Å; I142-F192 HydrophobicContact CG1-CG 4.36Å; I142-F192 HydrophobicContact CG2-CD1 3.57Å; I142-F192 HydrophobicContact CG2-CE1 3.84Å; I142-F192 HydrophobicContact CG2-CG 4.26Å; G143-F192 CarbonylContact O-C 3.54Å; G143-F192 VanDerWaalsContact O-CA 3.27Å; G143-F192 WeakPolarHBondContact O-CA 3.39Å; L144-F192 HydrophobicContact CB-CD1 4.09Å; L144-F192 HydrophobicContact CB-CE1 4.06Å; L144-F192 HydrophobicContact CD1-CD1 3.78Å; L144-F192 HydrophobicContact CD1-CE1 3.55Å; L144-F192 HydrophobicContact CD1-CG 4.41Å; L144-F192 HydrophobicContact CD1-CZ 3.99Å; L144-F192 HydrophobicContact CG-CE1 4.38Å; L190-F192 HydrophobicContact CB-CD2 4.1Å; L190-F192 HydrophobicContact CB-CE2 3.39Å; L190-F192 HydrophobicContact CB-CZ 3.67Å; L190-F192 HydrophobicContact CD2-CE2 4.42Å; L190-F192 HydrophobicContact CD2-CZ 3.89Å; L190-F192 HydrophobicContact CG-CE2 4.36Å; L190-F192 HydrophobicContact CG-CZ 4.32Å
193	E	97.4	Very high	96	Very high	49 Å²	49	39.6 Å²	39.6	23%	0.229	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.1	155.3	162.9	74.4	173.1	150.4	0	0	110.7	I142 G143 N145 G195 R271	I142-E193 HydrophobicContact CD1-CG 3.46Å; I142-E193 VanDerWaalsContact CD1-CG 3.46Å; I142-E193 WeakPolarHBondContact CD1-O 3.25Å; I142-E193 HydrophobicContact CG1-CG 3.92Å; G143-E193 PolarHBondContact N-OE1 2.96Å; G143-E193 PolarHBondContact O-N 2.98Å; N145-E193 PolarHBondContact ND2-N 3.45Å; E193-G195 PolarHBondContact O-N 3.01Å; E193-G195 VanDerWaalsContact O-N 3.16Å; E193-R271 WeakPolarHBondContact OE1-CD 3.37Å; E193-R271 IonicContact OE1-CZ 2.88Å; E193-R271 IonicContact OE1-NE 3.79Å; E193-R271 PolarHBondContact OE1-NE 3.09Å; E193-R271 IonicContact OE1-NH2 2.67Å; E193-R271 IonicContact OE2-NE 3.86Å
194	F	96.9	Very high	96.1	Very high	59 Å²	59	32.9 Å²	32.9	26%	0.259	18%	0.18	S	C	.	.			trans	-80.7	102.5	174.9	-170.5	-98.5	0	0	0	111.7	I74 T92 G196 K245	I74-F194 HydrophobicContact CD1-CE2 4.08Å; T92-F194 HydrophobicContact CG2-CB 3.91Å; T92-F194 HydrophobicContact CG2-CD1 4.36Å; T92-F194 HydrophobicContact CG2-CD2 3.71Å; T92-F194 HydrophobicContact CG2-CE2 4.33Å; T92-F194 HydrophobicContact CG2-CG 3.72Å; T92-F194 WeakPolarHBondContact O-CB 3.46Å; T92-F194 PolarHBondContact O-N 2.92Å; F194-G196 PolarHBondContact O-N 3.33Å; F194-K245 PolarHBondContact O-NZ 3Å
195	G	96.3	Very high	96.2	Very high	2 Å²	2	31 Å²	31	2%	0.021	17%	0.173	C	C	.	.			trans	-80	-4.7	-176.2	0	0	0	0	0	116.4	E193 L243	E193-G195 PolarHBondContact O-N 3.01Å; E193-G195 VanDerWaalsContact O-N 3.16Å; G195-L243 WeakPolarHBondContact O-CB 3.48Å
196	G	95.8	Very high	96.1	Very high	15 Å²	15	30.7 Å²	30.7	16%	0.155	17%	0.171	C	C	.	.			trans	105.4	-139.9	179.6	0	0	0	0	0	113	F194 V244	F194-G196 PolarHBondContact O-N 3.33Å; G196-V244 WeakPolarHBondContact CA-O 3.28Å
197	V	95.4	Very high	95.9	Very high	70 Å²	70	32 Å²	32	42%	0.424	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	140.9	-178.9	-176.6	0	0	0	0	108.2	N201 L243 V244	V197-N201 HydrophobicContact CG1-CB 3.52Å; V197-L243 CarbonylContact O-C 3.44Å; V197-L243 WeakPolarHBondContact O-CA 3.27Å; V197-V244 PolarHBondContact N-O 3.46Å; V197-V244 VanDerWaalsContact N-O 3.08Å; V197-V244 VanDerWaalsContact O-CG2 3.26Å; V197-V244 WeakPolarHBondContact O-CG2 3.48Å; V197-V244 PolarHBondContact O-N 3.44Å
198	D	96.6	Very high	95.8	Very high	25 Å²	25	33.1 Å²	33.1	13%	0.134	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	162.8	176.6	60.4	85.3	0	0	0	112.9	E200 N201 S202 G240 V242 L243	D198-E200 VanDerWaalsContact C-N 3.3Å; D198-E200 PolarHBondContact O-N 2.94Å; D198-E200 WeakPolarHBondContact OD1-CA 3.42Å; D198-E200 VanDerWaalsContact OD1-CB 3.3Å; D198-E200 WeakPolarHBondContact OD1-CB 3.35Å; D198-E200 PolarHBondContact OD1-N 2.83Å; D198-E200 VanDerWaalsContact OD1-N 3.15Å; D198-N201 VanDerWaalsContact CG-ND2 3.29Å; D198-N201 WeakPolarHBondContact OD1-CB 3.35Å; D198-N201 PolarHBondContact OD1-N 3.26Å; D198-N201 PolarHBondContact OD1-ND2 2.86Å; D198-N201 VanDerWaalsContact OD1-ND2 3.08Å; D198-N201 PolarHBondContact OD2-ND2 3Å; D198-S202 VanDerWaalsContact O-CB 3.27Å; D198-S202 WeakPolarHBondContact O-CB 3.32Å; D198-S202 PolarHBondContact O-N 2.69Å; D198-S202 PolarHBondContact O-OG 2.87Å; D198-G240 VanDerWaalsContact CB-O 3.22Å; D198-G240 WeakPolarHBondContact CB-O 3.44Å; D198-V242 CarbonylContact C-O 3.54Å; D198-V242 WeakPolarHBondContact CA-O 3.29Å; D198-L243 HydrophobicContact CB-CD2 3.77Å
199	L	97.3	Very high	95.8	Very high	2 Å²	2	33.9 Å²	33.9	1%	0.01	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-31.5	-178.2	-72.4	178.5	0	0	0	112.7	S202 N203 L206 V215 W239 V242 V244 L339 M342	L199-S202 CarbonylContact O-C 3.55Å; L199-S202 PolarHBondContact O-N 3.35Å; L199-S202 VanDerWaalsContact O-N 3.14Å; L199-N203 PolarHBondContact O-N 2.91Å; L199-L206 HydrophobicContact CD2-CD1 3.99Å; L199-V215 HydrophobicContact CD1-CG1 4.07Å; L199-V215 HydrophobicContact CD2-CG1 4.2Å; L199-W239 HydrophobicContact CB-CB 4.03Å; L199-W239 WeakPolarHBondContact CB-O 3.44Å; L199-W239 PolarHBondContact N-O 3.16Å; L199-W239 VanDerWaalsContact N-O 3.11Å; L199-V242 HydrophobicContact CD1-CB 3.74Å; L199-V242 HydrophobicContact CD1-CG1 3.68Å; L199-V242 HydrophobicContact CD1-CG2 4.43Å; L199-V242 HydrophobicContact CG-CB 3.98Å; L199-V242 HydrophobicContact CG-CG1 3.95Å; L199-V242 PolarHBondContact N-O 3.25Å; L199-V244 HydrophobicContact CD2-CG1 3.68Å; L199-V244 HydrophobicContact CD2-CG2 4.33Å; L199-L339 HydrophobicContact CD1-CD2 4.12Å; L199-M342 HydrophobicContact CB-CE 4.48Å; L199-M342 WeakPolarHBondContact O-CE 3.22Å
200	E	94.4	Very high	95.7	Very high	95 Å²	95	35.8 Å²	35.8	44%	0.444	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-52.1	178.5	175	169.6	-124.6	0	0	111.1	D198 S202 N203 W239	D198-E200 VanDerWaalsContact C-N 3.3Å; D198-E200 PolarHBondContact O-N 2.94Å; D198-E200 WeakPolarHBondContact OD1-CA 3.42Å; D198-E200 VanDerWaalsContact OD1-CB 3.3Å; D198-E200 WeakPolarHBondContact OD1-CB 3.35Å; D198-E200 PolarHBondContact OD1-N 2.83Å; D198-E200 VanDerWaalsContact OD1-N 3.15Å; E200-S202 PolarHBondContact O-N 2.99Å; E200-N203 WeakPolarHBondContact O-CB 3.41Å; E200-N203 PolarHBondContact O-N 3.11Å; E200-W239 HydrophobicContact CB-CD2 4.05Å; E200-W239 HydrophobicContact CB-CG 4.13Å; E200-W239 HydrophobicContact CB-CZ2 4.44Å; E200-W239 HydrophobicContact CG-CZ2 4.15Å; E200-W239 PolarHBondContact OE1-NE1 3.04Å
201	N	93.1	Very high	95.6	Very high	81 Å²	81	36.2 Å²	36.2	43%	0.433	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-11.5	173.7	-74.1	-70.7	0	0	0	113	V197 D198	V197-N201 HydrophobicContact CG1-CB 3.52Å; D198-N201 VanDerWaalsContact CG-ND2 3.29Å; D198-N201 WeakPolarHBondContact OD1-CB 3.35Å; D198-N201 PolarHBondContact OD1-N 3.26Å; D198-N201 PolarHBondContact OD1-ND2 2.86Å; D198-N201 VanDerWaalsContact OD1-ND2 3.08Å; D198-N201 PolarHBondContact OD2-ND2 3Å
202	S	94.1	Very high	95.6	Very high	4 Å²	4	35.3 Å²	35.3	3%	0.028	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.6	2.4	174.6	-60.9	0	0	0	0	114.2	D198 L199 E200 G204 T205 L206 V244	D198-S202 VanDerWaalsContact O-CB 3.27Å; D198-S202 WeakPolarHBondContact O-CB 3.32Å; D198-S202 PolarHBondContact O-N 2.69Å; D198-S202 PolarHBondContact O-OG 2.87Å; L199-S202 CarbonylContact O-C 3.55Å; L199-S202 PolarHBondContact O-N 3.35Å; L199-S202 VanDerWaalsContact O-N 3.14Å; E200-S202 PolarHBondContact O-N 2.99Å; S202-G204 PolarHBondContact O-N 3.23Å; S202-T205 VanDerWaalsContact CA-OG1 3.29Å; S202-T205 WeakPolarHBondContact CA-OG1 3.48Å; S202-T205 PolarHBondContact O-N 3.27Å; S202-T205 PolarHBondContact O-OG1 2.93Å; S202-L206 PolarHBondContact O-N 3.4Å; S202-V244 WeakPolarHBondContact OG-CG2 3.29Å
203	N	93.3	Very high	95.6	Very high	68 Å²	68	36.5 Å²	36.5	36%	0.364	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	118.6	176.8	-170.4	5.8	0	0	0	111.4	L199 E200 T205 M342 K343	L199-N203 PolarHBondContact O-N 2.91Å; E200-N203 WeakPolarHBondContact O-CB 3.41Å; E200-N203 PolarHBondContact O-N 3.11Å; N203-T205 VanDerWaalsContact C-N 3.33Å; N203-M342 HydrophobicContact CB-CE 4.38Å; N203-K343 PolarHBondContact OD1-N 3.08Å
204	G	92.9	Very high	95.6	Very high	31 Å²	31	34.5 Å²	34.5	32%	0.32	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	86.4	-6.4	-173.9	0	0	0	0	0	114.9	S202 K343	S202-G204 PolarHBondContact O-N 3.23Å; G204-K343 VanDerWaalsContact CA-O 3.23Å; G204-K343 WeakPolarHBondContact CA-O 3.22Å; G204-K343 PolarHBondContact N-O 3.46Å
205	T	93.5	Very high	95.7	Very high	68 Å²	68	31.7 Å²	31.7	42%	0.417	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-26.7	179.9	77.2	0	0	0	0	113	S202 N203 K345	S202-T205 VanDerWaalsContact CA-OG1 3.29Å; S202-T205 WeakPolarHBondContact CA-OG1 3.48Å; S202-T205 PolarHBondContact O-N 3.27Å; S202-T205 PolarHBondContact O-OG1 2.93Å; N203-T205 VanDerWaalsContact C-N 3.33Å; T205-K345 VanDerWaalsContact O-CD 3.3Å; T205-K345 WeakPolarHBondContact O-CD 3.5Å; T205-K345 WeakPolarHBondContact O-CE 3.24Å; T205-K345 PolarHBondContact O-NZ 3.08Å
206	L	94.3	Very high	95.8	Very high	9 Å²	9	31.7 Å²	31.7	5%	0.047	19%	0.191	C	C	.	.	S	Bend	trans	-62.9	144.2	174	-68.9	-175.7	0	0	0	111.9	L199 S202 V211 V244 M342 Y344 K345	L199-L206 HydrophobicContact CD2-CD1 3.99Å; S202-L206 PolarHBondContact O-N 3.4Å; L206-V211 HydrophobicContact CD2-CG1 4.17Å; L206-V244 HydrophobicContact CD2-CG2 4.27Å; L206-M342 HydrophobicContact CD1-CE 3.83Å; L206-M342 HydrophobicContact CG-CE 4.44Å; L206-Y344 HydrophobicContact CB-CD1 3.77Å; L206-Y344 HydrophobicContact CB-CE1 3.86Å; L206-Y344 HydrophobicContact CD1-CE1 4.11Å; L206-K345 PolarHBondContact O-N 3.12Å
207	A	94.5	Very high	96	Very high	51 Å²	51	32.4 Å²	32.4	42%	0.421	19%	0.19	S	C	.	.			trans	-71	-44.7	-168.9	0	0	0	0	0	113.4	V211 S346	A207-V211 HydrophobicContact CB-CG2 3.94Å; A207-S346 PolarHBondContact O-N 3.49Å
208	S	96	Very high	96.1	Very high	23 Å²	23	29.9 Å²	29.9	16%	0.161	17%	0.173	C	C	.	.			trans	-168.1	172.6	-175.6	65.8	0	0	0	0	112.3	V210 V211 A212 Y344 S346	S208-V210 PolarHBondContact O-N 2.93Å; S208-V210 VanDerWaalsContact O-N 3.17Å; S208-V210 PolarHBondContact OG-N 3.1Å; S208-V211 WeakPolarHBondContact O-CB 3.41Å; S208-V211 PolarHBondContact O-N 2.78Å; S208-A212 PolarHBondContact O-N 2.76Å; S208-Y344 VanDerWaalsContact C-CD1 3.48Å; S208-S346 WeakPolarHBondContact CB-O 3.4Å
209	F	96.4	Very high	96.3	Very high	15 Å²	15	28.7 Å²	28.7	7%	0.066	17%	0.167	C	C	.	.	H	α-helix	trans	-58	-23.1	170.3	-75.4	-73.2	0	0	0	114.2	V211 A212 K213 L340 Y344 A355 R356 L359	F209-V211 VanDerWaalsContact C-N 3.3Å; F209-A212 WeakPolarHBondContact O-CB 3.24Å; F209-A212 PolarHBondContact O-N 2.93Å; F209-K213 PolarHBondContact O-N 2.71Å; F209-L340 HydrophobicContact CE1-CD2 4.5Å; F209-Y344 HydrophobicContact CD1-CD2 4.33Å; F209-Y344 AromaticContact CD1-CE2 3.74Å; F209-Y344 HydrophobicContact CD1-CE2 3.74Å; F209-Y344 HydrophobicContact CD2-CD2 4.22Å; F209-Y344 HydrophobicContact CD2-CE2 4.44Å; F209-Y344 HydrophobicContact CE1-CD2 4.02Å; F209-Y344 AromaticContact CE1-CE2 3.39Å; F209-Y344 HydrophobicContact CE1-CE2 3.39Å; F209-Y344 AromaticContact CE2-CD2 3.89Å; F209-Y344 HydrophobicContact CE2-CD2 3.89Å; F209-Y344 HydrophobicContact CE2-CE2 4.13Å; F209-Y344 HydrophobicContact CG-CD2 4.42Å; F209-Y344 HydrophobicContact CG-CE2 4.26Å; F209-Y344 AromaticContact CZ-CD2 3.79Å; F209-Y344 HydrophobicContact CZ-CD2 3.79Å; F209-Y344 AromaticContact CZ-CE2 3.6Å; F209-Y344 HydrophobicContact CZ-CE2 3.6Å; F209-A355 HydrophobicContact CB-CB 4.01Å; F209-R356 HydrophobicContact CB-CB 4.36Å; F209-R356 HydrophobicContact CD1-CB 4.11Å; F209-R356 HydrophobicContact CD1-CG 4.2Å; F209-R356 HydrophobicContact CD2-CB 4.02Å; F209-R356 HydrophobicContact CD2-CG 4.37Å; F209-R356 HydrophobicContact CE1-CB 4.44Å; F209-R356 HydrophobicContact CE1-CG 4.04Å; F209-R356 HydrophobicContact CE2-CB 4.35Å; F209-R356 HydrophobicContact CE2-CG 4.22Å; F209-R356 HydrophobicContact CG-CB 3.89Å; F209-R356 HydrophobicContact CG-CG 4.37Å; F209-R356 HydrophobicContact CZ-CG 4.05Å; F209-L359 HydrophobicContact CD1-CD1 3.95Å
210	V	96.7	Very high	96.3	Very high	43 Å²	43	28.6 Å²	28.6	26%	0.261	17%	0.167	S	C	.	.	H	α-helix	trans	-66.4	-37.1	173.9	178.2	0	0	0	0	110.8	S208 S214 K266 A355	S208-V210 PolarHBondContact O-N 2.93Å; S208-V210 VanDerWaalsContact O-N 3.17Å; S208-V210 PolarHBondContact OG-N 3.1Å; V210-S214 PolarHBondContact O-N 2.78Å; V210-K266 HydrophobicContact CG1-CD 3.78Å; V210-K266 HydrophobicContact CG1-CG 3.92Å; V210-A355 HydrophobicContact CG2-CB 3.96Å
211	V	97.1	Very high	96.5	Very high	9 Å²	9	24.1 Å²	24.1	6%	0.055	15%	0.146	C	C	.	.	H	α-helix	trans	-70.3	-41.6	173.9	179.3	0	0	0	0	110.2	L206 A207 S208 F209 K213 S214 V215 K266 V268	L206-V211 HydrophobicContact CD2-CG1 4.17Å; A207-V211 HydrophobicContact CB-CG2 3.94Å; S208-V211 WeakPolarHBondContact O-CB 3.41Å; S208-V211 PolarHBondContact O-N 2.78Å; F209-V211 VanDerWaalsContact C-N 3.3Å; V211-K213 VanDerWaalsContact C-N 3.35Å; V211-K213 PolarHBondContact O-N 3.03Å; V211-S214 WeakPolarHBondContact O-CB 3.06Å; V211-S214 PolarHBondContact O-N 3.08Å; V211-S214 VanDerWaalsContact O-N 3.09Å; V211-V215 HydrophobicContact CG1-CG2 4.49Å; V211-V215 WeakPolarHBondContact O-CG2 3.32Å; V211-V215 PolarHBondContact O-N 2.82Å; V211-K266 HydrophobicContact CG2-CB 4.18Å; V211-V268 HydrophobicContact CG1-CB 4.41Å; V211-V268 HydrophobicContact CG1-CG1 3.88Å; V211-V268 HydrophobicContact CG1-CG2 3.59Å
212	A	97.9	Very high	96.8	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-57.9	-44.7	176.2	0	0	0	0	0	112.8	S208 F209 S214 V215 L216 L339 Y344 L359	S208-A212 PolarHBondContact O-N 2.76Å; F209-A212 WeakPolarHBondContact O-CB 3.24Å; F209-A212 PolarHBondContact O-N 2.93Å; A212-S214 VanDerWaalsContact C-N 3.32Å; A212-S214 PolarHBondContact O-N 3.38Å; A212-V215 PolarHBondContact O-N 3.46Å; A212-L216 PolarHBondContact O-N 3.44Å; A212-L339 HydrophobicContact CB-CB 4.34Å; A212-L339 HydrophobicContact CB-CD2 4.07Å; A212-Y344 HydrophobicContact CB-CE1 3.85Å; A212-Y344 WeakPolarHBondContact CB-OH 3.31Å; A212-L359 HydrophobicContact CB-CD1 3.99Å
213	K	97.9	Very high	97.1	Very high	47 Å²	47	20.1 Å²	20.1	20%	0.204	12%	0.124	C	C	.	.	H	α-helix	trans	-59	-43.2	173.3	-179.9	-178	171.4	177.6	0	111.8	F209 V211 L216 H217 E358 L359 M381	F209-K213 PolarHBondContact O-N 2.71Å; V211-K213 VanDerWaalsContact C-N 3.35Å; V211-K213 PolarHBondContact O-N 3.03Å; K213-L216 PolarHBondContact O-N 3.02Å; K213-H217 WeakPolarHBondContact O-CB 3.47Å; K213-H217 PolarHBondContact O-N 3.38Å; K213-E358 VanDerWaalsContact CD-OE2 3.27Å; K213-E358 WeakPolarHBondContact CD-OE2 3.37Å; K213-E358 WeakPolarHBondContact CE-OE2 3.14Å; K213-E358 IonicContact NZ-OE2 2.58Å; K213-E358 PolarHBondContact NZ-OE2 2.87Å; K213-L359 HydrophobicContact CB-CD1 4.49Å; K213-L359 HydrophobicContact CB-CD2 4.48Å; K213-L359 HydrophobicContact CB-CG 4.41Å; K213-M381 HydrophobicContact CD-CG 4.2Å; K213-M381 VanDerWaalsContact CE-CG 3.5Å; K213-M381 WeakPolarHBondContact CE-O 3.42Å; K213-M381 HydrophobicContact CG-CG 4.3Å; K213-M381 HydrophobicContact CG-SD 4.3Å; K213-M381 PolarHBondContact NZ-O 3.05Å
214	S	98.2	Very high	97.3	Very high	7 Å²	7	16.9 Å²	16.9	5%	0.049	11%	0.107	C	C	.	.	H	α-helix	trans	-63.7	-42	176.8	177.4	0	0	0	0	112.3	V210 V211 A212 H217 Q218 E264 T265	V210-S214 PolarHBondContact O-N 2.78Å; V211-S214 WeakPolarHBondContact O-CB 3.06Å; V211-S214 PolarHBondContact O-N 3.08Å; V211-S214 VanDerWaalsContact O-N 3.09Å; A212-S214 VanDerWaalsContact C-N 3.32Å; A212-S214 PolarHBondContact O-N 3.38Å; S214-H217 PolarHBondContact O-N 3.38Å; S214-Q218 WeakPolarHBondContact O-CG 3.43Å; S214-Q218 PolarHBondContact O-N 3.23Å; S214-Q218 PolarHBondContact OG-NE2 2.98Å; S214-Q218 VanDerWaalsContact OG-NE2 3.13Å; S214-E264 PolarHBondContact OG-O 2.75Å; S214-T265 PolarHBondContact OG-O 2.9Å; S214-T265 VanDerWaalsContact OG-O 3.12Å
215	V	98.7	Very high	97.6	Very high	1 Å²	1	15.4 Å²	15.4	1%	0.006	9%	0.092	C	C	.	.	H	α-helix	trans	-58.2	-50.4	174.6	167.8	0	0	0	0	110.5	L199 V211 A212 H217 Q218 V219 V242 V244 V268 V270	L199-V215 HydrophobicContact CD1-CG1 4.07Å; L199-V215 HydrophobicContact CD2-CG1 4.2Å; V211-V215 HydrophobicContact CG1-CG2 4.49Å; V211-V215 WeakPolarHBondContact O-CG2 3.32Å; V211-V215 PolarHBondContact O-N 2.82Å; A212-V215 PolarHBondContact O-N 3.46Å; V215-H217 VanDerWaalsContact C-N 3.34Å; V215-H217 PolarHBondContact O-N 3.28Å; V215-Q218 PolarHBondContact O-N 3.45Å; V215-V219 WeakPolarHBondContact O-CG2 3.46Å; V215-V219 PolarHBondContact O-N 3.46Å; V215-V242 HydrophobicContact CG1-CG1 4.21Å; V215-V244 HydrophobicContact CG2-CG1 3.89Å; V215-V268 HydrophobicContact CG2-CG2 3.81Å; V215-V270 HydrophobicContact CB-CG2 4.16Å; V215-V270 HydrophobicContact CG1-CG2 3.87Å; V215-V270 HydrophobicContact CG2-CG2 4.14Å
216	L	98.8	Very high	97.9	Very high	1 Å²	1	12.1 Å²	12.1	1%	0.005	7%	0.072	C	C	.	.	H	α-helix	trans	-61.9	-41.5	-180	-169.4	61.8	0	0	0	111.8	A212 K213 V219 T220 L332 L335 C336 L339 L359 F362 M381	A212-L216 PolarHBondContact O-N 3.44Å; K213-L216 PolarHBondContact O-N 3.02Å; L216-V219 PolarHBondContact O-N 3.2Å; L216-T220 WeakPolarHBondContact O-CB 3.41Å; L216-T220 PolarHBondContact O-N 3.13Å; L216-T220 PolarHBondContact O-OG1 3.37Å; L216-L332 HydrophobicContact CD1-CD2 3.99Å; L216-L335 HydrophobicContact CD1-CB 4.3Å; L216-C336 HydrophobicContact CD2-CB 3.95Å; L216-L339 HydrophobicContact CB-CD1 3.84Å; L216-L339 HydrophobicContact CD1-CD1 4.24Å; L216-L339 HydrophobicContact CG-CD1 4.44Å; L216-L359 HydrophobicContact CB-CD2 4.46Å; L216-L359 HydrophobicContact CD2-CD2 3.53Å; L216-F362 HydrophobicContact CD1-CE1 4.49Å; L216-F362 HydrophobicContact CD2-CD1 3.69Å; L216-F362 HydrophobicContact CD2-CE1 3.7Å; L216-F362 HydrophobicContact CD2-CG 4.41Å; L216-F362 HydrophobicContact CD2-CZ 4.44Å; L216-F362 HydrophobicContact CG-CE1 4.34Å; L216-M381 HydrophobicContact CD2-CE 3.81Å; L216-M381 HydrophobicContact CG-CE 4.4Å
217	H	98.8	Very high	98.1	Very high	30 Å²	30	11.8 Å²	11.8	14%	0.139	7%	0.07	C	C	.	.	H	α-helix	trans	-60.6	-45.7	174.7	-168.3	172	0	0	0	111.8	K213 S214 V215 V219 T220 A221 M263 F382	K213-H217 WeakPolarHBondContact O-CB 3.47Å; K213-H217 PolarHBondContact O-N 3.38Å; S214-H217 PolarHBondContact O-N 3.38Å; V215-H217 VanDerWaalsContact C-N 3.34Å; V215-H217 PolarHBondContact O-N 3.28Å; H217-V219 VanDerWaalsContact C-N 3.34Å; H217-V219 PolarHBondContact O-N 3.44Å; H217-T220 PolarHBondContact O-N 3.04Å; H217-A221 WeakPolarHBondContact O-CB 3.5Å; H217-A221 PolarHBondContact O-N 3.01Å; H217-M263 HydrophobicContact CB-SD 4.26Å; H217-F382 HydrophobicContact CB-CD1 3.85Å; H217-F382 HydrophobicContact CB-CE1 3.84Å; H217-F382 AromaticContact CD2-CD1 3.46Å; H217-F382 VanDerWaalsContact CD2-CD1 3.46Å; H217-F382 WeakPolarHBondContact CD2-CD1 3.41Å; H217-F382 AromaticContact CG-CD1 3.48Å; H217-F382 VanDerWaalsContact CG-CD1 3.48Å; H217-F382 AromaticContact CG-CE1 3.96Å; H217-F382 AromaticContact ND1-CD1 3.86Å; H217-F382 AromaticContact NE2-CD1 3.88Å
218	Q	98.8	Very high	98.3	Very high	17 Å²	17	12.9 Å²	12.9	8%	0.079	7%	0.066	C	C	.	.	H	α-helix	trans	-61.3	-41.6	176.8	-72.3	177.8	66.1	0	0	112.1	S214 V215 A222 M263 V268 V270	S214-Q218 WeakPolarHBondContact O-CG 3.43Å; S214-Q218 PolarHBondContact O-N 3.23Å; S214-Q218 PolarHBondContact OG-NE2 2.98Å; S214-Q218 VanDerWaalsContact OG-NE2 3.13Å; V215-Q218 PolarHBondContact O-N 3.45Å; Q218-A222 WeakPolarHBondContact O-CB 3.44Å; Q218-A222 PolarHBondContact O-N 3.26Å; Q218-M263 VanDerWaalsContact CA-SD 3.58Å; Q218-M263 HydrophobicContact CB-SD 4.09Å; Q218-M263 HydrophobicContact CG-CE 4.35Å; Q218-M263 HydrophobicContact CG-CG 4.35Å; Q218-M263 HydrophobicContact CG-SD 3.41Å; Q218-M263 WeakPolarHBondContact CG-SD 3.42Å; Q218-V268 PolarHBondContact NE2-O 2.88Å; Q218-V270 HydrophobicContact CB-CB 3.94Å; Q218-V270 HydrophobicContact CB-CG2 3.83Å
219	V	98.9	Very high	98.4	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.006	7%	0.071	C	C	.	.	H	α-helix	trans	-63.7	-51	175.4	174.3	0	0	0	0	110.9	V215 L216 H217 A221 A222 L223 L237 V242 V270 I272 L332 L335	V215-V219 WeakPolarHBondContact O-CG2 3.46Å; V215-V219 PolarHBondContact O-N 3.46Å; L216-V219 PolarHBondContact O-N 3.2Å; H217-V219 VanDerWaalsContact C-N 3.34Å; H217-V219 PolarHBondContact O-N 3.44Å; V219-A221 VanDerWaalsContact C-N 3.31Å; V219-A221 PolarHBondContact O-N 3.36Å; V219-A222 PolarHBondContact O-N 3.11Å; V219-L223 HydrophobicContact CG1-CD1 3.89Å; V219-L223 HydrophobicContact CG1-CG 4.35Å; V219-L223 WeakPolarHBondContact O-CG 3.29Å; V219-L223 PolarHBondContact O-N 2.84Å; V219-L237 HydrophobicContact CG1-CD2 3.75Å; V219-V242 HydrophobicContact CG2-CG1 3.9Å; V219-V242 HydrophobicContact CG2-CG2 4.39Å; V219-V270 HydrophobicContact CG2-CG1 3.79Å; V219-I272 HydrophobicContact CG1-CD1 4.08Å; V219-L332 HydrophobicContact CG1-CD2 3.82Å; V219-L335 HydrophobicContact CG1-CD1 3.85Å
220	T	98.9	Very high	98.5	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.07	C	C	.	.	H	α-helix	trans	-59	-43.1	-179.6	-56.3	0	0	0	0	111.6	L216 H217 L223 A224 L332 A372 A375 L376 F382	L216-T220 WeakPolarHBondContact O-CB 3.41Å; L216-T220 PolarHBondContact O-N 3.13Å; L216-T220 PolarHBondContact O-OG1 3.37Å; H217-T220 PolarHBondContact O-N 3.04Å; T220-L223 PolarHBondContact O-N 3.36Å; T220-A224 WeakPolarHBondContact O-CB 3.41Å; T220-A224 PolarHBondContact O-N 3.22Å; T220-L332 HydrophobicContact CG2-CD1 3.94Å; T220-L332 VanDerWaalsContact OG1-CD2 3.3Å; T220-L332 WeakPolarHBondContact OG1-CD2 3.36Å; T220-A372 HydrophobicContact CG2-CB 4.45Å; T220-A375 HydrophobicContact CG2-CB 4.45Å; T220-L376 HydrophobicContact CG2-CB 4.06Å; T220-L376 HydrophobicContact CG2-CD1 4.3Å; T220-F382 HydrophobicContact CG2-CE2 3.9Å; T220-F382 HydrophobicContact CG2-CZ 3.88Å
221	A	98.8	Very high	98.6	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.008	8%	0.075	C	C	.	.	H	α-helix	trans	-65.5	-41.6	177	0	0	0	0	0	112.7	H217 V219 A224 V225 F254 M263 L376	H217-A221 WeakPolarHBondContact O-CB 3.5Å; H217-A221 PolarHBondContact O-N 3.01Å; V219-A221 VanDerWaalsContact C-N 3.31Å; V219-A221 PolarHBondContact O-N 3.36Å; A221-A224 PolarHBondContact O-N 2.92Å; A221-V225 WeakPolarHBondContact O-CG2 3.47Å; A221-V225 PolarHBondContact O-N 2.74Å; A221-F254 HydrophobicContact CB-CD1 4.08Å; A221-F254 HydrophobicContact CB-CE1 3.84Å; A221-F254 HydrophobicContact CB-CE2 4.3Å; A221-F254 HydrophobicContact CB-CG 4.41Å; A221-F254 HydrophobicContact CB-CZ 3.95Å; A221-M263 HydrophobicContact CB-CE 3.4Å; A221-M263 VanDerWaalsContact CB-CE 3.4Å; A221-L376 HydrophobicContact CB-CD1 4.22Å; A221-L376 HydrophobicContact CB-CD2 4.28Å
222	A	98.9	Very high	98.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-62.8	-44.8	176.6	0	0	0	0	0	112	T138 F141 Q218 V219 V225 A226 I272	T138-A222 HydrophobicContact CG2-CB 4.44Å; F141-A222 HydrophobicContact CE2-CB 4.04Å; F141-A222 VanDerWaalsContact CE2-O 3.29Å; F141-A222 WeakPolarHBondContact CE2-O 3.25Å; F141-A222 HydrophobicContact CZ-CB 4.41Å; Q218-A222 WeakPolarHBondContact O-CB 3.44Å; Q218-A222 PolarHBondContact O-N 3.26Å; V219-A222 PolarHBondContact O-N 3.11Å; A222-V225 PolarHBondContact O-N 3.46Å; A222-A226 PolarHBondContact O-N 3.1Å; A222-A226 VanDerWaalsContact O-N 3.07Å; A222-I272 HydrophobicContact CB-CD1 3.9Å
223	L	98.9	Very high	98.7	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	7%	0.072	C	C	.	.	H	α-helix	trans	-63	-43.7	175.8	-66.9	173.5	0	0	0	111.7	F141 V219 T220 V225 A226 E227 F232 H234 L237 I272 N328 L332 A372	F141-L223 HydrophobicContact CZ-CD2 4.43Å; V219-L223 HydrophobicContact CG1-CD1 3.89Å; V219-L223 HydrophobicContact CG1-CG 4.35Å; V219-L223 WeakPolarHBondContact O-CG 3.29Å; V219-L223 PolarHBondContact O-N 2.84Å; T220-L223 PolarHBondContact O-N 3.36Å; L223-V225 VanDerWaalsContact C-N 3.35Å; L223-V225 PolarHBondContact O-N 3.46Å; L223-A226 PolarHBondContact O-N 2.89Å; L223-E227 WeakPolarHBondContact O-CB 3.47Å; L223-E227 WeakPolarHBondContact O-CG 3.32Å; L223-E227 PolarHBondContact O-N 3Å; L223-F232 HydrophobicContact CD2-CD1 4.25Å; L223-F232 HydrophobicContact CD2-CE1 3.9Å; L223-H234 HydrophobicContact CD2-CB 4.32Å; L223-L237 HydrophobicContact CD1-CD2 3.81Å; L223-L237 HydrophobicContact CD2-CD2 4.39Å; L223-I272 HydrophobicContact CD2-CD1 4.24Å; L223-I272 HydrophobicContact CG-CD1 4.28Å; L223-N328 HydrophobicContact CD1-CB 4.23Å; L223-L332 HydrophobicContact CD1-CD1 4.43Å; L223-L332 HydrophobicContact CD1-CD2 3.99Å; L223-L332 HydrophobicContact CD1-CG 4.07Å; L223-A372 HydrophobicContact CB-CB 3.62Å; L223-A372 HydrophobicContact CD1-CB 4.48Å
224	A	98.9	Very high	98.7	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-59.4	-44.3	177.1	0	0	0	0	0	112.3	T220 A221 A226 E227 Q228 T373 L376	T220-A224 WeakPolarHBondContact O-CB 3.41Å; T220-A224 PolarHBondContact O-N 3.22Å; A221-A224 PolarHBondContact O-N 2.92Å; A224-A226 VanDerWaalsContact C-N 3.34Å; A224-A226 PolarHBondContact O-N 3.08Å; A224-E227 PolarHBondContact O-N 3.35Å; A224-Q228 WeakPolarHBondContact O-CG 3.46Å; A224-Q228 PolarHBondContact O-N 2.77Å; A224-T373 WeakPolarHBondContact CA-OG1 3.43Å; A224-T373 PolarHBondContact O-OG1 2.99Å; A224-L376 HydrophobicContact CB-CB 4.4Å; A224-L376 HydrophobicContact CB-CD2 3.77Å
225	V	98.9	Very high	98.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.06	C	C	.	.	H	α-helix	trans	-60.5	-43.5	175.6	169	0	0	0	0	111.6	N136 T138 A221 A222 L223 Q228 E229 F254 L255 L256	N136-V225 HydrophobicContact CB-CG1 3.95Å; T138-V225 HydrophobicContact CG2-CB 3.97Å; T138-V225 HydrophobicContact CG2-CG1 3.64Å; A221-V225 WeakPolarHBondContact O-CG2 3.47Å; A221-V225 PolarHBondContact O-N 2.74Å; A222-V225 PolarHBondContact O-N 3.46Å; L223-V225 VanDerWaalsContact C-N 3.35Å; L223-V225 PolarHBondContact O-N 3.46Å; V225-Q228 PolarHBondContact O-N 3.15Å; V225-E229 WeakPolarHBondContact O-CB 3.48Å; V225-E229 PolarHBondContact O-N 3.22Å; V225-F254 HydrophobicContact CG2-CB 4.33Å; V225-F254 HydrophobicContact CG2-CD2 3.79Å; V225-F254 HydrophobicContact CG2-CG 4.46Å; V225-L255 WeakPolarHBondContact CG2-O 3.33Å; V225-L256 HydrophobicContact CG2-CD1 4.04Å
226	A	98.9	Very high	98.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-72.6	-32.5	178.9	0	0	0	0	0	113	L127 L130 F141 A222 L223 A224 L230 H231 F232	L127-A226 HydrophobicContact CD2-CB 4.06Å; L130-A226 HydrophobicContact CD1-CB 3.87Å; F141-A226 HydrophobicContact CE2-CB 3.66Å; F141-A226 HydrophobicContact CZ-CB 3.64Å; A222-A226 PolarHBondContact O-N 3.1Å; A222-A226 VanDerWaalsContact O-N 3.07Å; L223-A226 PolarHBondContact O-N 2.89Å; A224-A226 VanDerWaalsContact C-N 3.34Å; A224-A226 PolarHBondContact O-N 3.08Å; A226-L230 CarbonylContact O-C 3.37Å; A226-L230 WeakPolarHBondContact O-CA 3.39Å; A226-L230 WeakPolarHBondContact O-CB 3.37Å; A226-L230 PolarHBondContact O-N 3.29Å; A226-H231 PolarHBondContact O-N 2.94Å; A226-F232 HydrophobicContact CB-CB 3.59Å; A226-F232 HydrophobicContact CB-CD1 3.64Å; A226-F232 HydrophobicContact CB-CG 3.83Å; A226-F232 VanDerWaalsContact O-CB 3.31Å; A226-F232 WeakPolarHBondContact O-CB 3.4Å; A226-F232 PolarHBondContact O-N 3.13Å
227	E	98.8	Very high	98.7	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	7%	0.065	C	C	.	.	H	α-helix	trans	-58.8	-48.7	170.4	-78.9	174.2	173.9	0	0	110.5	L223 A224 H231 P325 N328 S371 A372 T373	L223-E227 WeakPolarHBondContact O-CB 3.47Å; L223-E227 WeakPolarHBondContact O-CG 3.32Å; L223-E227 PolarHBondContact O-N 3Å; A224-E227 PolarHBondContact O-N 3.35Å; E227-H231 VanDerWaalsContact O-CA 3.24Å; E227-H231 WeakPolarHBondContact O-CA 3.5Å; E227-H231 PolarHBondContact O-N 3.07Å; E227-P325 HydrophobicContact CG-CB 4.31Å; E227-N328 WeakPolarHBondContact CG-ND2 3.44Å; E227-N328 PolarHBondContact OE1-ND2 3.02Å; E227-S371 WeakPolarHBondContact OE2-CB 3.34Å; E227-A372 WeakPolarHBondContact OE1-CB 3.42Å; E227-A372 PolarHBondContact OE1-N 3.21Å; E227-A372 PolarHBondContact OE2-N 2.77Å; E227-A372 VanDerWaalsContact OE2-N 3.13Å; E227-T373 WeakPolarHBondContact OE2-CB 3.22Å; E227-T373 PolarHBondContact OE2-N 3.08Å; E227-T373 PolarHBondContact OE2-OG1 3.34Å
228	Q	98.4	Very high	98.7	Very high	75 Å²	75	13.9 Å²	13.9	35%	0.35	7%	0.066	S	C	.	.	H	α-helix	trans	-70.9	-36.5	-178.3	-65.6	-63	61.1	0	0	113.8	A224 V225 L256 D257 T373	A224-Q228 WeakPolarHBondContact O-CG 3.46Å; A224-Q228 PolarHBondContact O-N 2.77Å; V225-Q228 PolarHBondContact O-N 3.15Å; Q228-L256 HydrophobicContact CB-CD1 4.15Å; Q228-L256 HydrophobicContact CG-CD1 3.61Å; Q228-D257 PolarHBondContact NE2-OD2 2.87Å; Q228-T373 HydrophobicContact CG-CG2 4.18Å
229	E	98.3	Very high	98.6	Very high	55 Å²	55	14.8 Å²	14.8	26%	0.257	7%	0.068	S	C	.	.	H	α-helix	trans	-82.9	-35.5	-178.3	-171.7	63.7	-170.5	0	0	113.2	L130 K133 N136 V225	L130-E229 HydrophobicContact CD2-CB 3.87Å; L130-E229 HydrophobicContact CD2-CG 3.63Å; K133-E229 WeakPolarHBondContact CD-OE1 3.38Å; K133-E229 WeakPolarHBondContact CE-OE1 3.44Å; K133-E229 IonicContact NZ-OE1 2.82Å; K133-E229 PolarHBondContact NZ-OE1 3.22Å; N136-E229 HydrophobicContact CB-CB 3.74Å; N136-E229 HydrophobicContact CB-CG 4.34Å; N136-E229 WeakPolarHBondContact CB-OE2 3.26Å; N136-E229 PolarHBondContact ND2-OE2 2.74Å; V225-E229 WeakPolarHBondContact O-CB 3.48Å; V225-E229 PolarHBondContact O-N 3.22Å
230	L	98.6	Very high	98.5	Very high	8 Å²	8	15.3 Å²	15.3	4%	0.042	7%	0.074	C	C	.	.	H	α-helix	trans	-134.7	5	-161.9	-62.7	170.6	0	0	0	113.4	E126 L127 L130 A226 F232 L280 E281	E126-L230 HydrophobicContact CB-CD1 4.11Å; L127-L230 HydrophobicContact CD2-CD1 4.08Å; L130-L230 HydrophobicContact CD1-CD1 4.31Å; L130-L230 HydrophobicContact CD2-CD1 3.91Å; L130-L230 HydrophobicContact CD2-CG 4.43Å; L130-L230 HydrophobicContact CG-CD1 4.25Å; A226-L230 CarbonylContact O-C 3.37Å; A226-L230 WeakPolarHBondContact O-CA 3.39Å; A226-L230 WeakPolarHBondContact O-CB 3.37Å; A226-L230 PolarHBondContact O-N 3.29Å; L230-F232 HydrophobicContact CB-CB 4.36Å; L230-F232 PolarHBondContact O-N 2.93Å; L230-L280 HydrophobicContact CB-CB 4.1Å; L230-L280 HydrophobicContact CD1-CD2 4.24Å; L230-L280 CarbonylContact O-C 3.59Å; L230-L280 WeakPolarHBondContact O-CA 3.22Å; L230-L280 WeakPolarHBondContact O-CB 3.35Å; L230-E281 PolarHBondContact O-N 3.44Å
231	H	98.7	Very high	98.5	Very high	78 Å²	78	15.7 Å²	15.7	36%	0.361	8%	0.076	S	C	.	.			trans	47.8	44.3	-169.7	-61.6	139.6	0	0	0	111.5	A226 E227 R279 E281 Y323	A226-H231 PolarHBondContact O-N 2.94Å; E227-H231 VanDerWaalsContact O-CA 3.24Å; E227-H231 WeakPolarHBondContact O-CA 3.5Å; E227-H231 PolarHBondContact O-N 3.07Å; H231-R279 VanDerWaalsContact CB-NH1 3.3Å; H231-R279 PolarHBondContact O-NH1 3.33Å; H231-E281 HydrophobicContact CB-CB 4.39Å; H231-E281 IonicContact CE1-OE2 3.97Å; H231-E281 IonicContact CG-OE2 3.28Å; H231-E281 IonicContact ND1-OE2 2.73Å; H231-E281 PolarHBondContact ND1-OE2 3.02Å; H231-Y323 HydrophobicContact CB-CD1 4.04Å; H231-Y323 HydrophobicContact CB-CD2 3.85Å; H231-Y323 HydrophobicContact CB-CE1 3.98Å; H231-Y323 HydrophobicContact CB-CE2 3.8Å; H231-Y323 HydrophobicContact CB-CG 3.97Å; H231-Y323 AromaticContact CD2-CE1 3.6Å; H231-Y323 AromaticContact CD2-CZ 3.99Å; H231-Y323 WeakPolarHBondContact O-CD2 3.32Å; H231-Y323 WeakPolarHBondContact O-CE2 3.22Å
232	F	98.8	Very high	98.4	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.076	C	C	.	.			trans	-77.1	141.4	-170.7	176.5	-107.3	0	0	0	113.2	I123 L127 F141 L223 A226 L230 H234 R279 L280 N328	I123-F232 HydrophobicContact CG2-CE2 4.05Å; L127-F232 HydrophobicContact CD1-CD2 4.27Å; L127-F232 HydrophobicContact CD1-CE1 4.5Å; L127-F232 HydrophobicContact CD1-CE2 3.56Å; L127-F232 HydrophobicContact CD1-CZ 3.68Å; L127-F232 HydrophobicContact CD2-CD1 4.47Å; L127-F232 HydrophobicContact CD2-CD2 3.99Å; L127-F232 HydrophobicContact CD2-CE2 4.1Å; L127-F232 HydrophobicContact CD2-CG 4.18Å; L127-F232 HydrophobicContact CD2-CZ 4.37Å; L127-F232 HydrophobicContact CG-CE2 4.31Å; F141-F232 HydrophobicContact CE1-CD1 4.42Å; F141-F232 AromaticContact CE1-CE1 3.72Å; F141-F232 HydrophobicContact CE1-CE1 3.72Å; F141-F232 HydrophobicContact CE1-CZ 4.11Å; F141-F232 HydrophobicContact CZ-CD1 4.16Å; F141-F232 AromaticContact CZ-CE1 3.89Å; F141-F232 HydrophobicContact CZ-CE1 3.89Å; L223-F232 HydrophobicContact CD2-CD1 4.25Å; L223-F232 HydrophobicContact CD2-CE1 3.9Å; A226-F232 HydrophobicContact CB-CB 3.59Å; A226-F232 HydrophobicContact CB-CD1 3.64Å; A226-F232 HydrophobicContact CB-CG 3.83Å; A226-F232 VanDerWaalsContact O-CB 3.31Å; A226-F232 WeakPolarHBondContact O-CB 3.4Å; A226-F232 PolarHBondContact O-N 3.13Å; L230-F232 HydrophobicContact CB-CB 4.36Å; L230-F232 PolarHBondContact O-N 2.93Å; F232-H234 HydrophobicContact CE1-CB 3.81Å; F232-H234 VanDerWaalsContact CZ-CA 3.46Å; F232-H234 HydrophobicContact CZ-CB 3.89Å; F232-H234 AromaticContact CZ-CD2 3.85Å; F232-R279 CarbonylContact C-O 3.5Å; F232-R279 WeakPolarHBondContact CA-O 3.49Å; F232-R279 WeakPolarHBondContact CD2-O 3.46Å; F232-L280 HydrophobicContact CD2-CB 4.26Å; F232-N328 PolarHBondContact O-ND2 3.45Å
233	E	98.9	Very high	98.4	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	8%	0.081	C	C	.	.	B	Isolated β-bridge	trans	-130	127.4	164.5	-62.9	173	-116.2	0	0	109.4	R235 S278 R279 Y323 H324 T327 N328	E233-R235 HydrophobicContact CB-CG 3.78Å; E233-R235 IonicContact OE1-CZ 2.94Å; E233-R235 IonicContact OE1-NE 2.64Å; E233-R235 IonicContact OE1-NH2 3.38Å; E233-R235 PolarHBondContact OE1-NH2 3.11Å; E233-R235 IonicContact OE2-CZ 2.69Å; E233-R235 IonicContact OE2-NE 3.63Å; E233-R235 PolarHBondContact OE2-NE 3Å; E233-R235 IonicContact OE2-NH2 3.69Å; E233-R235 PolarHBondContact OE2-NH2 2.64Å; E233-S278 WeakPolarHBondContact O-CA 3.33Å; E233-S278 WeakPolarHBondContact O-CB 3.37Å; E233-R279 PolarHBondContact N-O 3.17Å; E233-R279 PolarHBondContact O-N 3.48Å; E233-R279 IonicContact OE1-NE 3.72Å; E233-Y323 HydrophobicContact CG-CD2 4.11Å; E233-Y323 HydrophobicContact CG-CE2 4.14Å; E233-Y323 WeakPolarHBondContact OE1-CA 3.39Å; E233-H324 VanDerWaalsContact CD-O 3.26Å; E233-H324 PolarHBondContact OE1-N 2.87Å; E233-H324 VanDerWaalsContact OE2-O 3.14Å; E233-T327 WeakPolarHBondContact CG-OG1 3.27Å; E233-T327 WeakPolarHBondContact OE2-CB 3.46Å; E233-T327 VanDerWaalsContact OE2-CG2 3.26Å; E233-T327 WeakPolarHBondContact OE2-CG2 3.43Å; E233-T327 PolarHBondContact OE2-OG1 3.11Å; E233-N328 WeakPolarHBondContact CA-OD1 3.09Å
234	H	98.8	Very high	98.4	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.085	C	C	.	.			trans	-71.4	-44.2	179.9	-166.5	-78.5	0	0	0	112.3	L223 F232 D236 L237 I272 I273 D274 Y275 S278 N328	L223-H234 HydrophobicContact CD2-CB 4.32Å; F232-H234 HydrophobicContact CE1-CB 3.81Å; F232-H234 VanDerWaalsContact CZ-CA 3.46Å; F232-H234 HydrophobicContact CZ-CB 3.89Å; F232-H234 AromaticContact CZ-CD2 3.85Å; H234-D236 PolarHBondContact CE1-O 3.21Å; H234-D236 PolarHBondContact ND1-N 3.48Å; H234-D236 PolarHBondContact O-N 3.45Å; H234-L237 HydrophobicContact CB-CB 4.07Å; H234-L237 WeakPolarHBondContact ND1-CA 3.3Å; H234-L237 PolarHBondContact ND1-N 2.87Å; H234-L237 VanDerWaalsContact ND1-N 3.17Å; H234-I272 WeakPolarHBondContact CD2-CG2 3.41Å; H234-I272 WeakPolarHBondContact NE2-CG2 3.45Å; H234-I273 PolarHBondContact CE1-O 3.2Å; H234-I273 VanDerWaalsContact CE1-O 3.32Å; H234-I273 PolarHBondContact NE2-O 2.96Å; H234-D274 PolarHBondContact CE1-O 3.31Å; H234-D274 PolarHBondContact NE2-O 2.79Å; H234-Y275 AromaticContact NE2-CD1 3.78Å; H234-Y275 AromaticContact NE2-CE1 3.88Å; H234-S278 WeakPolarHBondContact O-CA 3.43Å; H234-S278 PolarHBondContact O-OG 3.32Å; H234-N328 PolarHBondContact N-OD1 3.28Å
235	R	98.5	Very high	98.3	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	61.4	-9.3	178.8	-58.6	-178.2	173.9	173.1	1.2	117.4	E233 L277 R279 M312 W320 S322 W331	E233-R235 HydrophobicContact CB-CG 3.78Å; E233-R235 IonicContact OE1-CZ 2.94Å; E233-R235 IonicContact OE1-NE 2.64Å; E233-R235 IonicContact OE1-NH2 3.38Å; E233-R235 PolarHBondContact OE1-NH2 3.11Å; E233-R235 IonicContact OE2-CZ 2.69Å; E233-R235 IonicContact OE2-NE 3.63Å; E233-R235 PolarHBondContact OE2-NE 3Å; E233-R235 IonicContact OE2-NH2 3.69Å; E233-R235 PolarHBondContact OE2-NH2 2.64Å; R235-L277 HydrophobicContact CB-CB 4.27Å; R235-L277 WeakPolarHBondContact CB-O 3.47Å; R235-L277 WeakPolarHBondContact CD-O 3.46Å; R235-R279 VanDerWaalsContact CZ-CB 3.41Å; R235-M312 HydrophobicContact CB-CE 4.31Å; R235-M312 HydrophobicContact CB-SD 3.99Å; R235-M312 HydrophobicContact CG-SD 4.1Å; R235-M312 WeakPolarHBondContact O-CE 3.48Å; R235-W320 PolarHBondContact NH1-O 3.22Å; R235-W320 PolarHBondContact NH2-O 3.25Å; R235-S322 PolarHBondContact NH2-O 2.88Å; R235-W331 VanDerWaalsContact O-CZ2 3.22Å; R235-W331 WeakPolarHBondContact O-CZ2 3.32Å; R235-W331 PolarHBondContact O-NE1 3.41Å
236	D	97.7	Very high	98.2	Very high	20 Å²	20	26.2 Å²	26.2	11%	0.107	14%	0.141	C	C	.	.			trans	-137.1	43.1	171.2	-160.7	24.6	0	0	0	114.4	H234 H238 N241 L277 Y309 W331	H234-D236 PolarHBondContact CE1-O 3.21Å; H234-D236 PolarHBondContact ND1-N 3.48Å; H234-D236 PolarHBondContact O-N 3.45Å; D236-H238 PolarHBondContact O-CD2 2.81Å; D236-H238 PolarHBondContact O-N 3.39Å; D236-H238 IonicContact OD1-CD2 2.65Å; D236-H238 PolarHBondContact OD1-CD2 3.43Å; D236-H238 IonicContact OD2-CD2 3.74Å; D236-H238 IonicContact OD2-NE2 2.73Å; D236-N241 PolarHBondContact O-ND2 3.36Å; D236-L277 HydrophobicContact CB-CB 4.15Å; D236-L277 HydrophobicContact CB-CD1 4.02Å; D236-L277 HydrophobicContact CB-CG 4.18Å; D236-Y309 WeakPolarHBondContact OD1-CE1 3.34Å; D236-Y309 VanDerWaalsContact OD1-CZ 3.32Å; D236-Y309 PolarHBondContact OD1-OH 2.95Å; D236-W331 VanDerWaalsContact CA-CZ2 3.47Å
237	L	98.6	Very high	98.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.149	C	C	.	.			trans	-85.7	54.9	-171.6	-166.9	67.3	0	0	0	112.5	V219 L223 H234 N241 V242 I272 W331 L335	V219-L237 HydrophobicContact CG1-CD2 3.75Å; L223-L237 HydrophobicContact CD1-CD2 3.81Å; L223-L237 HydrophobicContact CD2-CD2 4.39Å; H234-L237 HydrophobicContact CB-CB 4.07Å; H234-L237 WeakPolarHBondContact ND1-CA 3.3Å; H234-L237 PolarHBondContact ND1-N 2.87Å; H234-L237 VanDerWaalsContact ND1-N 3.17Å; L237-N241 HydrophobicContact CD1-CB 4.46Å; L237-V242 HydrophobicContact CD1-CG2 3.91Å; L237-V242 HydrophobicContact CG-CG2 4.23Å; L237-I272 HydrophobicContact CD1-CB 4.44Å; L237-I272 HydrophobicContact CD1-CG1 4.31Å; L237-I272 HydrophobicContact CD1-CG2 3.46Å; L237-I272 VanDerWaalsContact CD1-CG2 3.46Å; L237-W331 VanDerWaalsContact C-CZ3 3.46Å; L237-W331 HydrophobicContact CB-CB 3.88Å; L237-W331 HydrophobicContact CB-CD2 3.98Å; L237-W331 HydrophobicContact CB-CE3 4.22Å; L237-W331 HydrophobicContact CB-CG 3.83Å; L237-W331 HydrophobicContact CD2-CB 4.45Å; L237-W331 VanDerWaalsContact N-CD2 3.33Å; L237-L335 HydrophobicContact CD2-CD1 3.66Å; L237-L335 HydrophobicContact CG-CD1 3.89Å
238	H	97.7	Very high	98	Very high	36 Å²	36	39.4 Å²	39.4	17%	0.167	19%	0.194	C	C	.	.			trans	-69.4	166	170.9	65.2	93.9	0	0	0	110.8	D236 G240 N241 Q305 W331 Y334	D236-H238 PolarHBondContact O-CD2 2.81Å; D236-H238 PolarHBondContact O-N 3.39Å; D236-H238 IonicContact OD1-CD2 2.65Å; D236-H238 PolarHBondContact OD1-CD2 3.43Å; D236-H238 IonicContact OD2-CD2 3.74Å; D236-H238 IonicContact OD2-NE2 2.73Å; H238-G240 PolarHBondContact ND1-N 3.02Å; H238-G240 PolarHBondContact O-N 3.15Å; H238-G240 VanDerWaalsContact O-N 3.08Å; H238-N241 PolarHBondContact CD2-ND2 3.15Å; H238-N241 VanDerWaalsContact CD2-ND2 3.31Å; H238-N241 PolarHBondContact NE2-ND2 3.02Å; H238-N241 WeakPolarHBondContact O-CB 3.29Å; H238-N241 PolarHBondContact O-N 2.8Å; H238-Q305 HydrophobicContact CB-CG 4.13Å; H238-Q305 VanDerWaalsContact CB-OE1 3.29Å; H238-W331 HydrophobicContact CB-CH2 4.28Å; H238-W331 HydrophobicContact CB-CZ3 3.86Å; H238-W331 VanDerWaalsContact N-CZ3 3.3Å; H238-Y334 HydrophobicContact CB-CE1 4.07Å
239	W	97.9	Very high	97.9	Very high	35 Å²	35	41.3 Å²	41.3	13%	0.133	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-65.8	-14.8	-174.1	63.1	-8.5	0	0	0	114.3	L199 E200 N241 L335 K338 M342	L199-W239 HydrophobicContact CB-CB 4.03Å; L199-W239 WeakPolarHBondContact CB-O 3.44Å; L199-W239 PolarHBondContact N-O 3.16Å; L199-W239 VanDerWaalsContact N-O 3.11Å; E200-W239 HydrophobicContact CB-CD2 4.05Å; E200-W239 HydrophobicContact CB-CG 4.13Å; E200-W239 HydrophobicContact CB-CZ2 4.44Å; E200-W239 HydrophobicContact CG-CZ2 4.15Å; E200-W239 PolarHBondContact OE1-NE1 3.04Å; W239-N241 VanDerWaalsContact C-N 3.27Å; W239-L335 HydrophobicContact CB-CD2 4.27Å; W239-K338 HydrophobicContact CB-CB 4.47Å; W239-K338 HydrophobicContact CB-CG 4.37Å; W239-K338 HydrophobicContact CD2-CB 4.23Å; W239-K338 HydrophobicContact CD2-CD 3.95Å; W239-K338 HydrophobicContact CD2-CG 3.95Å; W239-K338 HydrophobicContact CE3-CB 3.64Å; W239-K338 HydrophobicContact CE3-CD 3.76Å; W239-K338 HydrophobicContact CE3-CG 3.81Å; W239-K338 HydrophobicContact CG-CG 4.24Å; W239-K338 HydrophobicContact CH2-CD 4.13Å; W239-K338 HydrophobicContact CZ2-CD 4.34Å; W239-K338 HydrophobicContact CZ3-CB 4.2Å; W239-K338 HydrophobicContact CZ3-CD 3.84Å; W239-K338 HydrophobicContact CZ3-CG 4.35Å; W239-M342 HydrophobicContact CE3-CG 4.31Å; W239-M342 HydrophobicContact CE3-SD 4.36Å; W239-M342 HydrophobicContact CZ3-CG 3.94Å
240	G	96.3	Very high	97.9	Very high	12 Å²	12	47.1 Å²	47.1	12%	0.124	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-70.4	-25.4	169.5	0	0	0	0	0	112.5	D198 H238	D198-G240 VanDerWaalsContact CB-O 3.22Å; D198-G240 WeakPolarHBondContact CB-O 3.44Å; H238-G240 PolarHBondContact ND1-N 3.02Å; H238-G240 PolarHBondContact O-N 3.15Å; H238-G240 VanDerWaalsContact O-N 3.08Å
241	N	98.3	Very high	97.8	Very high	9 Å²	9	50.4 Å²	50.4	5%	0.048	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-94.8	11.9	-177.9	-71.5	-15	0	0	0	113.9	D236 L237 H238 W239 I272 I273 D274	D236-N241 PolarHBondContact O-ND2 3.36Å; L237-N241 HydrophobicContact CD1-CB 4.46Å; H238-N241 PolarHBondContact CD2-ND2 3.15Å; H238-N241 VanDerWaalsContact CD2-ND2 3.31Å; H238-N241 PolarHBondContact NE2-ND2 3.02Å; H238-N241 WeakPolarHBondContact O-CB 3.29Å; H238-N241 PolarHBondContact O-N 2.8Å; W239-N241 VanDerWaalsContact C-N 3.27Å; N241-I272 WeakPolarHBondContact O-CA 3.26Å; N241-I273 HydrophobicContact CB-CG1 4.14Å; N241-I273 WeakPolarHBondContact CB-O 3.49Å; N241-I273 PolarHBondContact O-N 3.44Å; N241-D274 WeakPolarHBondContact OD1-CB 3.37Å
242	V	98.7	Very high	97.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	101.3	173.3	-177	0	0	0	0	108.8	D198 L199 V215 V219 L237 V270 L335	D198-V242 CarbonylContact C-O 3.54Å; D198-V242 WeakPolarHBondContact CA-O 3.29Å; L199-V242 HydrophobicContact CD1-CB 3.74Å; L199-V242 HydrophobicContact CD1-CG1 3.68Å; L199-V242 HydrophobicContact CD1-CG2 4.43Å; L199-V242 HydrophobicContact CG-CB 3.98Å; L199-V242 HydrophobicContact CG-CG1 3.95Å; L199-V242 PolarHBondContact N-O 3.25Å; V215-V242 HydrophobicContact CG1-CG1 4.21Å; V219-V242 HydrophobicContact CG2-CG1 3.9Å; V219-V242 HydrophobicContact CG2-CG2 4.39Å; L237-V242 HydrophobicContact CD1-CG2 3.91Å; L237-V242 HydrophobicContact CG-CG2 4.23Å; V242-V270 HydrophobicContact CG1-CG1 3.85Å; V242-L335 HydrophobicContact CG2-CD1 4.01Å; V242-L335 HydrophobicContact CG2-CD2 3.92Å
243	L	98.6	Very high	97.6	Very high	22 Å²	22	51.6 Å²	51.6	12%	0.115	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	143.1	175.9	-53.3	-176.3	0	0	0	111	I142 G195 V197 D198 V270 R271 I273	I142-L243 HydrophobicContact CD1-CD1 4.39Å; G195-L243 WeakPolarHBondContact O-CB 3.48Å; V197-L243 CarbonylContact O-C 3.44Å; V197-L243 WeakPolarHBondContact O-CA 3.27Å; D198-L243 HydrophobicContact CB-CD2 3.77Å; L243-V270 CarbonylContact O-C 3.53Å; L243-V270 VanDerWaalsContact O-CA 3.31Å; L243-V270 WeakPolarHBondContact O-CA 3.36Å; L243-R271 HydrophobicContact CB-CB 4.23Å; L243-R271 WeakPolarHBondContact CB-O 3.36Å; L243-R271 PolarHBondContact N-O 3.32Å; L243-R271 PolarHBondContact O-N 2.84Å; L243-I273 HydrophobicContact CD1-CD1 4.15Å; L243-I273 HydrophobicContact CD1-CG2 3.6Å; L243-I273 HydrophobicContact CD2-CD1 3.86Å; L243-I273 HydrophobicContact CG-CD1 3.95Å; L243-I273 HydrophobicContact CG-CG1 4.25Å; L243-I273 HydrophobicContact CG-CG2 3.89Å
244	V	97.9	Very high	97.5	Very high	14 Å²	14	52 Å²	52	9%	0.085	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	133.9	173	-68.7	0	0	0	0	111.4	G196 V197 L199 S202 L206 V215 L269 V270	G196-V244 WeakPolarHBondContact CA-O 3.28Å; V197-V244 PolarHBondContact N-O 3.46Å; V197-V244 VanDerWaalsContact N-O 3.08Å; V197-V244 VanDerWaalsContact O-CG2 3.26Å; V197-V244 WeakPolarHBondContact O-CG2 3.48Å; V197-V244 PolarHBondContact O-N 3.44Å; L199-V244 HydrophobicContact CD2-CG1 3.68Å; L199-V244 HydrophobicContact CD2-CG2 4.33Å; S202-V244 WeakPolarHBondContact OG-CG2 3.29Å; L206-V244 HydrophobicContact CD2-CG2 4.27Å; V215-V244 HydrophobicContact CG2-CG1 3.89Å; V244-L269 WeakPolarHBondContact CA-O 3.46Å; V244-V270 HydrophobicContact CG1-CG2 4.42Å
245	K	96.3	Very high	97.5	Very high	94 Å²	94	53.6 Å²	53.6	41%	0.409	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	134.3	178.2	-173.7	174.8	-177.9	173.3	0	110.6	F194 T247 V268 L269	F194-K245 PolarHBondContact O-NZ 3Å; K245-T247 PolarHBondContact O-N 3.21Å; K245-V268 CarbonylContact O-C 3.54Å; K245-V268 VanDerWaalsContact O-CA 3.3Å; K245-V268 WeakPolarHBondContact O-CA 3.27Å; K245-L269 PolarHBondContact N-O 3.43Å; K245-L269 PolarHBondContact O-N 2.97Å
246	A	97.1	Very high	97.5	Very high	91 Å²	91	54 Å²	54	75%	0.752	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.2	137	176	0	0	0	0	0	111	G267	A246-G267 WeakPolarHBondContact CA-O 3.09Å
247	T	97.1	Very high	97.5	Very high	30 Å²	30	57.2 Å²	57.2	18%	0.184	29%	0.293	C	S	.	.			trans	-134.3	155.2	177.5	-173.3	0	0	0	0	112.1	K245 E249 T265 G267 L269	K245-T247 PolarHBondContact O-N 3.21Å; T247-E249 HydrophobicContact CG2-CB 4.48Å; T247-E249 WeakPolarHBondContact OG1-CB 3.41Å; T247-E249 PolarHBondContact OG1-N 2.92Å; T247-T265 HydrophobicContact CG2-CG2 4.21Å; T247-G267 PolarHBondContact N-O 3.04Å; T247-L269 HydrophobicContact CG2-CD1 4.39Å; T247-L269 HydrophobicContact CG2-CD2 4.26Å; T247-L269 HydrophobicContact CG2-CG 3.73Å
248	R	97.1	Very high	97.4	Very high	248 Å²	248	59 Å²	59	94%	0.936	31%	0.311	S	S	*	.	S	Bend	trans	-95.2	-13.6	169.4	-63.9	-177.7	-178.8	179.8	1.3	112.5	K250	R248-K250 PolarHBondContact O-N 2.94Å
249	E	96.6	Very high	97.4	Very high	116 Å²	116	63.5 Å²	63.5	54%	0.542	33%	0.333	S	S	.	.			trans	-65.9	127.8	175.2	-66.3	172.8	-179.3	0	0	108.8	T247 T265	T247-E249 HydrophobicContact CG2-CB 4.48Å; T247-E249 WeakPolarHBondContact OG1-CB 3.41Å; T247-E249 PolarHBondContact OG1-N 2.92Å; E249-T265 WeakPolarHBondContact O-CG2 3.48Å; E249-T265 PolarHBondContact O-OG1 3.11Å
250	K	97.2	Very high	97.4	Very high	176 Å²	176	65.8 Å²	65.8	77%	0.765	36%	0.359	S	S	*	.	S	Bend	trans	-79.9	-29	-177.6	-64.7	-177.2	179.9	178.2	0	112.1	R248 E264 T265	R248-K250 PolarHBondContact O-N 2.94Å; K250-E264 WeakPolarHBondContact O-CA 3.38Å; K250-T265 PolarHBondContact O-N 3.37Å; K250-T265 PolarHBondContact O-OG1 2.92Å
251	T	97.3	Very high	97.5	Very high	77 Å²	77	67.3 Å²	67.3	47%	0.472	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	135.1	-174.8	51.5	0	0	0	0	109.9	M263	T251-M263 CarbonylContact C-O 3.48Å; T251-M263 WeakPolarHBondContact CA-O 3.13Å
252	G	95.4	Very high	97.3	Very high	14 Å²	14	70.9 Å²	70.9	14%	0.144	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	153.8	164.3	0	0	0	0	0	110.1	S262 M263	G252-S262 VanDerWaalsContact O-CA 3.3Å; G252-S262 WeakPolarHBondContact O-CA 3.42Å; G252-M263 PolarHBondContact N-O 3.2Å; G252-M263 PolarHBondContact O-N 3.06Å
253	T	97	Very high	97.2	Very high	89 Å²	89	71.8 Å²	71.8	55%	0.546	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	148.1	-178.2	54.6	0	0	0	0	111	H261	T253-H261 WeakPolarHBondContact CA-O 3.18Å
254	F	98.3	Very high	97.1	Very high	10 Å²	10	76.1 Å²	76.1	4%	0.044	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157.5	171.7	66.4	-82.8	0	0	0	109.9	Q137 A221 V225 L256 H261 M263 L376	Q137-F254 CarbonylContact O-C 3.54Å; Q137-F254 WeakPolarHBondContact O-CA 3.42Å; Q137-F254 VanDerWaalsContact O-CB 3.22Å; Q137-F254 WeakPolarHBondContact O-CB 3.33Å; A221-F254 HydrophobicContact CB-CD1 4.08Å; A221-F254 HydrophobicContact CB-CE1 3.84Å; A221-F254 HydrophobicContact CB-CE2 4.3Å; A221-F254 HydrophobicContact CB-CG 4.41Å; A221-F254 HydrophobicContact CB-CZ 3.95Å; V225-F254 HydrophobicContact CG2-CB 4.33Å; V225-F254 HydrophobicContact CG2-CD2 3.79Å; V225-F254 HydrophobicContact CG2-CG 4.46Å; F254-L256 HydrophobicContact CD2-CB 4.24Å; F254-L256 HydrophobicContact CE2-CB 4.08Å; F254-H261 HydrophobicContact CD1-CB 3.9Å; F254-H261 HydrophobicContact CD2-CB 4.11Å; F254-H261 HydrophobicContact CE1-CB 3.38Å; F254-H261 HydrophobicContact CE2-CB 3.62Å; F254-H261 AromaticContact CE2-CD2 3.68Å; F254-H261 AromaticContact CE2-CG 3.8Å; F254-H261 HydrophobicContact CG-CB 4.25Å; F254-H261 HydrophobicContact CZ-CB 3.23Å; F254-H261 AromaticContact CZ-CG 3.73Å; F254-H261 PolarHBondContact N-O 3.42Å; F254-H261 VanDerWaalsContact N-O 3.11Å; F254-H261 PolarHBondContact O-N 3.14Å; F254-M263 HydrophobicContact CD1-CE 3.42Å; F254-M263 VanDerWaalsContact CD1-CE 3.42Å; F254-M263 HydrophobicContact CE1-CE 3.53Å; F254-L376 HydrophobicContact CE2-CD2 3.96Å; F254-L376 HydrophobicContact CZ-CD2 3.95Å
255	L	98.6	Very high	97.1	Very high	33 Å²	33	75.6 Å²	75.6	17%	0.173	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	135	169.4	-56.5	-178.5	0	0	0	108.6	Q134 Q135 N136 Q137 V225 E259 A260	Q134-L255 WeakPolarHBondContact O-CD1 3.46Å; Q135-L255 CarbonylContact O-C 3.51Å; Q135-L255 WeakPolarHBondContact O-CB 3.29Å; N136-L255 CarbonylContact C-O 3.6Å; N136-L255 WeakPolarHBondContact CA-O 3.36Å; Q137-L255 HydrophobicContact CB-CB 3.76Å; Q137-L255 HydrophobicContact CB-CD1 3.97Å; Q137-L255 HydrophobicContact CB-CG 3.84Å; Q137-L255 PolarHBondContact N-O 3.37Å; Q137-L255 PolarHBondContact O-N 2.9Å; Q137-L255 VanDerWaalsContact OE1-CD1 3.3Å; V225-L255 WeakPolarHBondContact CG2-O 3.33Å; L255-E259 VanDerWaalsContact CA-O 3.29Å; L255-E259 WeakPolarHBondContact CA-O 3.28Å; L255-A260 HydrophobicContact CD2-CB 3.64Å
256	L	98.2	Very high	97.2	Very high	7 Å²	7	75.1 Å²	75.1	4%	0.037	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	121.4	172.8	-170.7	69.4	0	0	0	107.6	V225 Q228 F254 G258 E259 L376	V225-L256 HydrophobicContact CG2-CD1 4.04Å; Q228-L256 HydrophobicContact CB-CD1 4.15Å; Q228-L256 HydrophobicContact CG-CD1 3.61Å; F254-L256 HydrophobicContact CD2-CB 4.24Å; F254-L256 HydrophobicContact CE2-CB 4.08Å; L256-G258 PolarHBondContact O-N 2.79Å; L256-G258 VanDerWaalsContact O-N 3.11Å; L256-E259 PolarHBondContact N-O 3.36Å; L256-E259 PolarHBondContact O-N 3.14Å; L256-L376 HydrophobicContact CD2-CD2 4.18Å
257	D	97.3	Very high	97.2	Very high	88 Å²	88	72.2 Å²	72.2	47%	0.471	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	34.7	-175.9	-61.8	-46.1	0	0	0	113.3	Q135 N136 Q228 E259	Q135-D257 PolarHBondContact O-N 3.49Å; N136-D257 PolarHBondContact OD1-N 2.9Å; Q228-D257 PolarHBondContact NE2-OD2 2.87Å; D257-E259 VanDerWaalsContact C-N 3.26Å; D257-E259 PolarHBondContact O-N 3.45Å
258	G	97.1	Very high	97.2	Very high	38 Å²	38	71.7 Å²	71.7	39%	0.392	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	80	-4.1	-178.5	0	0	0	0	0	115.1	Q135 L256	Q135-G258 PolarHBondContact O-N 2.94Å; L256-G258 PolarHBondContact O-N 2.79Å; L256-G258 VanDerWaalsContact O-N 3.11Å
259	E	97.3	Very high	97.3	Very high	131 Å²	131	61.3 Å²	61.3	61%	0.612	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.9	176	-63.7	-163	163.8	0	0	111.5	L255 L256 D257 H261	L255-E259 VanDerWaalsContact CA-O 3.29Å; L255-E259 WeakPolarHBondContact CA-O 3.28Å; L256-E259 PolarHBondContact N-O 3.36Å; L256-E259 PolarHBondContact O-N 3.14Å; D257-E259 VanDerWaalsContact C-N 3.26Å; D257-E259 PolarHBondContact O-N 3.45Å; E259-H261 PolarHBondContact O-CD2 2.67Å
260	A	97.6	Very high	97.4	Very high	83 Å²	83	55.8 Å²	55.8	69%	0.686	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-85.5	121.1	179.3	0	0	0	0	0	111.5	L255	L255-A260 HydrophobicContact CD2-CB 3.64Å
261	H	97.6	Very high	97.4	Very high	43 Å²	43	49.2 Å²	49.2	20%	0.199	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	155	176.7	-59.8	-84.5	0	0	0	110.9	T253 F254 E259	T253-H261 WeakPolarHBondContact CA-O 3.18Å; F254-H261 HydrophobicContact CD1-CB 3.9Å; F254-H261 HydrophobicContact CD2-CB 4.11Å; F254-H261 HydrophobicContact CE1-CB 3.38Å; F254-H261 HydrophobicContact CE2-CB 3.62Å; F254-H261 AromaticContact CE2-CD2 3.68Å; F254-H261 AromaticContact CE2-CG 3.8Å; F254-H261 HydrophobicContact CG-CB 4.25Å; F254-H261 HydrophobicContact CZ-CB 3.23Å; F254-H261 AromaticContact CZ-CG 3.73Å; F254-H261 PolarHBondContact N-O 3.42Å; F254-H261 VanDerWaalsContact N-O 3.11Å; F254-H261 PolarHBondContact O-N 3.14Å; E259-H261 PolarHBondContact O-CD2 2.67Å
262	S	95.9	Very high	97.5	Very high	84 Å²	84	45.6 Å²	45.6	59%	0.587	27%	0.268	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138.8	147	177.1	73.7	0	0	0	0	111.3	G252	G252-S262 VanDerWaalsContact O-CA 3.3Å; G252-S262 WeakPolarHBondContact O-CA 3.42Å
263	M	95.9	Very high	97.6	Very high	19 Å²	19	46.7 Å²	46.7	9%	0.094	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	150.5	177.7	69.5	-176	104.8	0	0	110.4	H217 Q218 A221 T251 G252 F254 T265	H217-M263 HydrophobicContact CB-SD 4.26Å; Q218-M263 VanDerWaalsContact CA-SD 3.58Å; Q218-M263 HydrophobicContact CB-SD 4.09Å; Q218-M263 HydrophobicContact CG-CE 4.35Å; Q218-M263 HydrophobicContact CG-CG 4.35Å; Q218-M263 HydrophobicContact CG-SD 3.41Å; Q218-M263 WeakPolarHBondContact CG-SD 3.42Å; A221-M263 HydrophobicContact CB-CE 3.4Å; A221-M263 VanDerWaalsContact CB-CE 3.4Å; T251-M263 CarbonylContact C-O 3.48Å; T251-M263 WeakPolarHBondContact CA-O 3.13Å; G252-M263 PolarHBondContact N-O 3.2Å; G252-M263 PolarHBondContact O-N 3.06Å; F254-M263 HydrophobicContact CD1-CE 3.42Å; F254-M263 VanDerWaalsContact CD1-CE 3.42Å; F254-M263 HydrophobicContact CE1-CE 3.53Å; M263-T265 PolarHBondContact O-N 2.98Å
264	E	97.3	Very high	97.6	Very high	114 Å²	114	44.4 Å²	44.4	53%	0.533	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	128.7	177.1	-64.3	-177.4	101.7	0	0	111.4	S214 K250 K266	S214-E264 PolarHBondContact OG-O 2.75Å; K250-E264 WeakPolarHBondContact O-CA 3.38Å; E264-K266 VanDerWaalsContact C-N 3.27Å; E264-K266 HydrophobicContact CB-CD 4.2Å; E264-K266 HydrophobicContact CB-CG 4.38Å; E264-K266 PolarHBondContact O-N 3.44Å; E264-K266 IonicContact OE1-NZ 3.43Å; E264-K266 PolarHBondContact OE1-NZ 3Å; E264-K266 WeakPolarHBondContact OE2-CE 3.43Å; E264-K266 IonicContact OE2-NZ 2.91Å; E264-K266 PolarHBondContact OE2-NZ 2.63Å
265	T	97.8	Very high	97.6	Very high	2 Å²	2	44 Å²	44	1%	0.012	25%	0.253	C	S	.	.			trans	-72.9	-22.7	178.8	64.6	0	0	0	0	112.6	S214 T247 E249 K250 M263 G267 V268 L269	S214-T265 PolarHBondContact OG-O 2.9Å; S214-T265 VanDerWaalsContact OG-O 3.12Å; T247-T265 HydrophobicContact CG2-CG2 4.21Å; E249-T265 WeakPolarHBondContact O-CG2 3.48Å; E249-T265 PolarHBondContact O-OG1 3.11Å; K250-T265 PolarHBondContact O-N 3.37Å; K250-T265 PolarHBondContact O-OG1 2.92Å; M263-T265 PolarHBondContact O-N 2.98Å; T265-G267 PolarHBondContact O-N 2.91Å; T265-G267 PolarHBondContact OG1-N 2.93Å; T265-G267 VanDerWaalsContact OG1-N 3.14Å; T265-V268 WeakPolarHBondContact CB-O 3.28Å; T265-V268 WeakPolarHBondContact O-CG2 3.47Å; T265-V268 PolarHBondContact O-N 3.13Å; T265-L269 HydrophobicContact CG2-CD2 3.98Å
266	K	97.1	Very high	97.3	Very high	84 Å²	84	42.9 Å²	42.9	37%	0.365	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.4	32.1	-169.9	-57.8	-61.9	-176.9	-169.9	0	113	V210 V211 E264	V210-K266 HydrophobicContact CG1-CD 3.78Å; V210-K266 HydrophobicContact CG1-CG 3.92Å; V211-K266 HydrophobicContact CG2-CB 4.18Å; E264-K266 VanDerWaalsContact C-N 3.27Å; E264-K266 HydrophobicContact CB-CD 4.2Å; E264-K266 HydrophobicContact CB-CG 4.38Å; E264-K266 PolarHBondContact O-N 3.44Å; E264-K266 IonicContact OE1-NZ 3.43Å; E264-K266 PolarHBondContact OE1-NZ 3Å; E264-K266 WeakPolarHBondContact OE2-CE 3.43Å; E264-K266 IonicContact OE2-NZ 2.91Å; E264-K266 PolarHBondContact OE2-NZ 2.63Å
267	G	97.3	Very high	97.2	Very high	31 Å²	31	43.3 Å²	43.3	32%	0.32	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.9	8.6	177.5	0	0	0	0	0	115.1	A246 T247 T265	A246-G267 WeakPolarHBondContact CA-O 3.09Å; T247-G267 PolarHBondContact N-O 3.04Å; T265-G267 PolarHBondContact O-N 2.91Å; T265-G267 PolarHBondContact OG1-N 2.93Å; T265-G267 VanDerWaalsContact OG1-N 3.14Å
268	V	97.8	Very high	97.3	Very high	18 Å²	18	39.2 Å²	39.2	11%	0.109	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	141.4	174.4	-57.5	0	0	0	0	112.3	V211 V215 Q218 K245 T265	V211-V268 HydrophobicContact CG1-CB 4.41Å; V211-V268 HydrophobicContact CG1-CG1 3.88Å; V211-V268 HydrophobicContact CG1-CG2 3.59Å; V215-V268 HydrophobicContact CG2-CG2 3.81Å; Q218-V268 PolarHBondContact NE2-O 2.88Å; K245-V268 CarbonylContact O-C 3.54Å; K245-V268 VanDerWaalsContact O-CA 3.3Å; K245-V268 WeakPolarHBondContact O-CA 3.27Å; T265-V268 WeakPolarHBondContact CB-O 3.28Å; T265-V268 WeakPolarHBondContact O-CG2 3.47Å; T265-V268 PolarHBondContact O-N 3.13Å
269	L	98.1	Very high	97.3	Very high	30 Å²	30	37.4 Å²	37.4	16%	0.157	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	142.2	166.5	-69	173.5	0	0	0	109.6	V244 K245 T247 T265	V244-L269 WeakPolarHBondContact CA-O 3.46Å; K245-L269 PolarHBondContact N-O 3.43Å; K245-L269 PolarHBondContact O-N 2.97Å; T247-L269 HydrophobicContact CG2-CD1 4.39Å; T247-L269 HydrophobicContact CG2-CD2 4.26Å; T247-L269 HydrophobicContact CG2-CG 3.73Å; T265-L269 HydrophobicContact CG2-CD2 3.98Å
270	V	98.5	Very high	97.4	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	143.8	173.8	171.4	0	0	0	0	111.2	V215 Q218 V219 V242 L243 V244 I272	V215-V270 HydrophobicContact CB-CG2 4.16Å; V215-V270 HydrophobicContact CG1-CG2 3.87Å; V215-V270 HydrophobicContact CG2-CG2 4.14Å; Q218-V270 HydrophobicContact CB-CB 3.94Å; Q218-V270 HydrophobicContact CB-CG2 3.83Å; V219-V270 HydrophobicContact CG2-CG1 3.79Å; V242-V270 HydrophobicContact CG1-CG1 3.85Å; L243-V270 CarbonylContact O-C 3.53Å; L243-V270 VanDerWaalsContact O-CA 3.31Å; L243-V270 WeakPolarHBondContact O-CA 3.36Å; V244-V270 HydrophobicContact CG1-CG2 4.42Å; V270-I272 HydrophobicContact CG1-CG1 4.3Å
271	R	98.7	Very high	97.4	Very high	38 Å²	38	29.3 Å²	29.3	14%	0.143	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	119.9	161.5	-63.8	-66.2	-172.8	-91.9	5.1	109.9	H139 G140 F141 I142 E193 L243	H139-R271 WeakPolarHBondContact O-CD 3.38Å; H139-R271 PolarHBondContact O-NE 3.21Å; H139-R271 PolarHBondContact O-NH1 3.42Å; G140-R271 CarbonylContact O-C 3.51Å; G140-R271 WeakPolarHBondContact O-CA 3.48Å; F141-R271 WeakPolarHBondContact O-CD 3.48Å; I142-R271 HydrophobicContact CB-CB 4.39Å; I142-R271 HydrophobicContact CD1-CB 3.69Å; I142-R271 HydrophobicContact CD1-CG 3.79Å; E193-R271 WeakPolarHBondContact OE1-CD 3.37Å; E193-R271 IonicContact OE1-CZ 2.88Å; E193-R271 IonicContact OE1-NE 3.79Å; E193-R271 PolarHBondContact OE1-NE 3.09Å; E193-R271 IonicContact OE1-NH2 2.67Å; E193-R271 IonicContact OE2-NE 3.86Å; L243-R271 HydrophobicContact CB-CB 4.23Å; L243-R271 WeakPolarHBondContact CB-O 3.36Å; L243-R271 PolarHBondContact N-O 3.32Å; L243-R271 PolarHBondContact O-N 2.84Å
272	I	98.9	Very high	97.3	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	133.2	172.2	-62	172.9	0	0	0	108.4	G140 F141 I142 V219 A222 L223 H234 L237 N241 V270 Y275	G140-I272 PolarHBondContact O-N 3.07Å; F141-I272 HydrophobicContact CD1-CB 3.8Å; F141-I272 HydrophobicContact CD1-CD1 4.46Å; F141-I272 HydrophobicContact CD1-CG2 3.98Å; F141-I272 HydrophobicContact CE1-CB 4.05Å; F141-I272 HydrophobicContact CE1-CD1 4.01Å; F141-I272 HydrophobicContact CE1-CG2 3.93Å; F141-I272 HydrophobicContact CZ-CD1 4.3Å; I142-I272 PolarHBondContact N-O 2.77Å; I142-I272 VanDerWaalsContact N-O 3.07Å; V219-I272 HydrophobicContact CG1-CD1 4.08Å; A222-I272 HydrophobicContact CB-CD1 3.9Å; L223-I272 HydrophobicContact CD2-CD1 4.24Å; L223-I272 HydrophobicContact CG-CD1 4.28Å; H234-I272 WeakPolarHBondContact CD2-CG2 3.41Å; H234-I272 WeakPolarHBondContact NE2-CG2 3.45Å; L237-I272 HydrophobicContact CD1-CB 4.44Å; L237-I272 HydrophobicContact CD1-CG1 4.31Å; L237-I272 HydrophobicContact CD1-CG2 3.46Å; L237-I272 VanDerWaalsContact CD1-CG2 3.46Å; N241-I272 WeakPolarHBondContact O-CA 3.26Å; V270-I272 HydrophobicContact CG1-CG1 4.3Å; I272-Y275 HydrophobicContact CG2-CE1 4.25Å; I272-Y275 PolarHBondContact O-OH 2.59Å
273	I	98.4	Very high	97	Very high	38 Å²	38	29 Å²	29	20%	0.195	15%	0.15	C	C	.	.			trans	-131.2	173.1	-176.5	63.4	165.3	0	0	0	111.7	I142 H234 N241 L243	I142-I273 HydrophobicContact CB-CG2 3.69Å; I142-I273 HydrophobicContact CD1-CG2 4.36Å; I142-I273 HydrophobicContact CG1-CG2 4.07Å; I142-I273 HydrophobicContact CG2-CB 4.45Å; I142-I273 HydrophobicContact CG2-CG2 3.78Å; H234-I273 PolarHBondContact CE1-O 3.2Å; H234-I273 VanDerWaalsContact CE1-O 3.32Å; H234-I273 PolarHBondContact NE2-O 2.96Å; N241-I273 HydrophobicContact CB-CG1 4.14Å; N241-I273 WeakPolarHBondContact CB-O 3.49Å; N241-I273 PolarHBondContact O-N 3.44Å; L243-I273 HydrophobicContact CD1-CD1 4.15Å; L243-I273 HydrophobicContact CD1-CG2 3.6Å; L243-I273 HydrophobicContact CD2-CD1 3.86Å; L243-I273 HydrophobicContact CG-CD1 3.95Å; L243-I273 HydrophobicContact CG-CG1 4.25Å; L243-I273 HydrophobicContact CG-CG2 3.89Å
274	D	96.4	Very high	96.7	Very high	40 Å²	40	35.4 Å²	35.4	21%	0.214	19%	0.185	C	C	.	.			trans	60.1	98.6	175.2	-152.4	-37.1	0	0	0	114.9	K96 H234 N241 S276	K96-D274 IonicContact NZ-OD1 3.59Å; K96-D274 PolarHBondContact NZ-OD1 2.87Å; K96-D274 IonicContact NZ-OD2 3.51Å; K96-D274 PolarHBondContact NZ-OD2 2.98Å; H234-D274 PolarHBondContact CE1-O 3.31Å; H234-D274 PolarHBondContact NE2-O 2.79Å; N241-D274 WeakPolarHBondContact OD1-CB 3.37Å; D274-S276 VanDerWaalsContact OD1-CB 3.28Å; D274-S276 WeakPolarHBondContact OD1-CB 3.43Å; D274-S276 PolarHBondContact OD1-N 3.33Å; D274-S276 VanDerWaalsContact OD1-N 3.12Å; D274-S276 PolarHBondContact OD1-OG 3Å
275	Y	97	Very high	96.6	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.008	17%	0.167	C	C	.	.			trans	-107.7	21.2	-174.9	-44.9	-48.5	0	0	0	112.5	I123 S124 L127 F141 I142 H234 I272 L277 S278	I123-Y275 HydrophobicContact CG2-CD2 4.1Å; I123-Y275 HydrophobicContact CG2-CG 3.84Å; S124-Y275 WeakPolarHBondContact OG-CD2 3.29Å; L127-Y275 HydrophobicContact CB-CE2 4.38Å; L127-Y275 HydrophobicContact CD1-CD1 3.64Å; L127-Y275 HydrophobicContact CD1-CD2 3.91Å; L127-Y275 HydrophobicContact CD1-CE1 3.53Å; L127-Y275 HydrophobicContact CD1-CE2 3.79Å; L127-Y275 HydrophobicContact CD1-CG 3.84Å; F141-Y275 HydrophobicContact CD1-CE1 4.04Å; I142-Y275 HydrophobicContact CG2-CE2 4.44Å; I142-Y275 PolarHBondContact N-OH 2.95Å; H234-Y275 AromaticContact NE2-CD1 3.78Å; H234-Y275 AromaticContact NE2-CE1 3.88Å; I272-Y275 HydrophobicContact CG2-CE1 4.25Å; I272-Y275 PolarHBondContact O-OH 2.59Å; Y275-L277 PolarHBondContact O-N 2.69Å; Y275-S278 VanDerWaalsContact CA-OG 3.28Å; Y275-S278 WeakPolarHBondContact CA-OG 3.47Å; Y275-S278 WeakPolarHBondContact O-CB 3.28Å; Y275-S278 PolarHBondContact O-N 3.12Å
276	S	93.6	Very high	96.5	Very high	9 Å²	9	33.9 Å²	33.9	6%	0.063	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-36.4	-173.9	-60.5	0	0	0	0	113	E120 D274 C289	E120-S276 PolarHBondContact OE2-OG 3.03Å; D274-S276 VanDerWaalsContact OD1-CB 3.28Å; D274-S276 WeakPolarHBondContact OD1-CB 3.43Å; D274-S276 PolarHBondContact OD1-N 3.33Å; D274-S276 VanDerWaalsContact OD1-N 3.12Å; D274-S276 PolarHBondContact OD1-OG 3Å; S276-C289 VanDerWaalsContact O-CB 3.27Å; S276-C289 WeakPolarHBondContact O-CB 3.43Å
277	L	96.6	Very high	96.5	Very high	17 Å²	17	31.3 Å²	31.3	9%	0.089	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.8	2.1	179.4	-55.4	-168.9	0	0	0	113.6	R235 D236 Y275 I291 L297 Y309	R235-L277 HydrophobicContact CB-CB 4.27Å; R235-L277 WeakPolarHBondContact CB-O 3.47Å; R235-L277 WeakPolarHBondContact CD-O 3.46Å; D236-L277 HydrophobicContact CB-CB 4.15Å; D236-L277 HydrophobicContact CB-CD1 4.02Å; D236-L277 HydrophobicContact CB-CG 4.18Å; Y275-L277 PolarHBondContact O-N 2.69Å; L277-I291 HydrophobicContact CD1-CD1 4.33Å; L277-I291 HydrophobicContact CD2-CG2 3.79Å; L277-L297 HydrophobicContact CD1-CD2 3.99Å; L277-Y309 HydrophobicContact CD1-CE1 4.22Å
278	S	98.1	Very high	96.4	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.007	17%	0.167	C	C	.	.			trans	-71.1	167.9	-170.4	-65.1	0	0	0	0	113	I123 E233 H234 Y275 C289	I123-S278 WeakPolarHBondContact CD1-O 3.46Å; E233-S278 WeakPolarHBondContact O-CA 3.33Å; E233-S278 WeakPolarHBondContact O-CB 3.37Å; H234-S278 WeakPolarHBondContact O-CA 3.43Å; H234-S278 PolarHBondContact O-OG 3.32Å; Y275-S278 VanDerWaalsContact CA-OG 3.28Å; Y275-S278 WeakPolarHBondContact CA-OG 3.47Å; Y275-S278 WeakPolarHBondContact O-CB 3.28Å; Y275-S278 PolarHBondContact O-N 3.12Å; S278-C289 PolarHBondContact O-N 3.03Å
279	R	98.3	Very high	96	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	143.4	178.3	170.6	-87.6	-168.1	-120.9	-18.8	110.9	H231 F232 E233 R235 E281 T286 I287 S321	H231-R279 VanDerWaalsContact CB-NH1 3.3Å; H231-R279 PolarHBondContact O-NH1 3.33Å; F232-R279 CarbonylContact C-O 3.5Å; F232-R279 WeakPolarHBondContact CA-O 3.49Å; F232-R279 WeakPolarHBondContact CD2-O 3.46Å; E233-R279 PolarHBondContact N-O 3.17Å; E233-R279 PolarHBondContact O-N 3.48Å; E233-R279 IonicContact OE1-NE 3.72Å; R235-R279 VanDerWaalsContact CZ-CB 3.41Å; R279-E281 IonicContact CZ-OE1 2.82Å; R279-E281 IonicContact NH1-OE1 3.27Å; R279-E281 PolarHBondContact NH1-OE1 3.14Å; R279-E281 IonicContact NH2-OE1 2.61Å; R279-E281 PolarHBondContact NH2-OE1 3.3Å; R279-T286 HydrophobicContact CG-CG2 4.33Å; R279-I287 CarbonylContact C-O 3.5Å; R279-I287 VanDerWaalsContact CA-O 3.28Å; R279-I287 WeakPolarHBondContact CA-O 3.12Å; R279-S321 PolarHBondContact NE-O 3.16Å; R279-S321 PolarHBondContact NH2-O 2.89Å; R279-S321 VanDerWaalsContact NH2-O 3.15Å
280	L	98.4	Very high	95.7	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	178.8	169.3	59.1	75.7	0	0	0	112.1	I123 E126 L230 F232 I282 T286 I287	I123-L280 HydrophobicContact CB-CD2 4.13Å; I123-L280 HydrophobicContact CG1-CD2 3.74Å; I123-L280 HydrophobicContact CG1-CG 3.86Å; I123-L280 HydrophobicContact CG2-CD2 3.98Å; E126-L280 HydrophobicContact CB-CD2 4.16Å; L230-L280 HydrophobicContact CB-CB 4.1Å; L230-L280 HydrophobicContact CD1-CD2 4.24Å; L230-L280 CarbonylContact O-C 3.59Å; L230-L280 WeakPolarHBondContact O-CA 3.22Å; L230-L280 WeakPolarHBondContact O-CB 3.35Å; F232-L280 HydrophobicContact CD2-CB 4.26Å; L280-I282 HydrophobicContact CD1-CD1 3.85Å; L280-I282 HydrophobicContact CD1-CG1 3.42Å; L280-I282 VanDerWaalsContact CD1-CG1 3.42Å; L280-T286 WeakPolarHBondContact O-CA 3.38Å; L280-I287 HydrophobicContact CD1-CB 3.96Å; L280-I287 HydrophobicContact CD1-CG1 4.07Å; L280-I287 PolarHBondContact N-O 3.05Å; L280-I287 PolarHBondContact O-N 2.89Å
281	E	98.1	Very high	95.4	Very high	43 Å²	43	36 Å²	36	20%	0.201	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	139.9	170.1	-82.1	167.5	-156.6	0	0	111.7	L230 H231 R279 L285	L230-E281 PolarHBondContact O-N 3.44Å; H231-E281 HydrophobicContact CB-CB 4.39Å; H231-E281 IonicContact CE1-OE2 3.97Å; H231-E281 IonicContact CG-OE2 3.28Å; H231-E281 IonicContact ND1-OE2 2.73Å; H231-E281 PolarHBondContact ND1-OE2 3.02Å; R279-E281 IonicContact CZ-OE1 2.82Å; R279-E281 IonicContact NH1-OE1 3.27Å; R279-E281 PolarHBondContact NH1-OE1 3.14Å; R279-E281 IonicContact NH2-OE1 2.61Å; R279-E281 PolarHBondContact NH2-OE1 3.3Å; E281-L285 VanDerWaalsContact CA-O 3.29Å; E281-L285 WeakPolarHBondContact CA-O 3.48Å
282	I	94.3	Very high	95.1	Very high	23 Å²	23	35.2 Å²	35.2	12%	0.118	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	124.2	171.4	-48.7	171.7	0	0	0	107.3	I122 E126 L280 D284 L285 I287	I122-I282 HydrophobicContact CG2-CD1 3.62Å; E126-I282 HydrophobicContact CG-CD1 3.48Å; E126-I282 VanDerWaalsContact CG-CD1 3.48Å; E126-I282 HydrophobicContact CG-CG1 4.16Å; L280-I282 HydrophobicContact CD1-CD1 3.85Å; L280-I282 HydrophobicContact CD1-CG1 3.42Å; L280-I282 VanDerWaalsContact CD1-CG1 3.42Å; I282-D284 PolarHBondContact O-N 2.81Å; I282-L285 PolarHBondContact N-O 2.9Å; I282-L285 WeakPolarHBondContact O-CA 3.29Å; I282-L285 VanDerWaalsContact O-CB 3.27Å; I282-L285 WeakPolarHBondContact O-CB 3.15Å; I282-L285 PolarHBondContact O-N 3.23Å; I282-I287 HydrophobicContact CD1-CG1 4.39Å
283	D	91.6	Very high	94.7	Very high	97 Å²	97	42 Å²	42	52%	0.519	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	44.9	179.1	-61.3	-27.9	0	0	0	112.8	L285	D283-L285 PolarHBondContact O-N 2.83Å
284	D	89	Confident	94.3	Very high	154 Å²	154	43.1 Å²	43.1	82%	0.824	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.1	10	-175.4	-53	-48.7	0	0	0	115.6	I282	I282-D284 PolarHBondContact O-N 2.81Å
285	L	93.9	Very high	94	Very high	31 Å²	31	45.2 Å²	45.2	16%	0.162	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	119.7	175.2	-61.7	165.4	0	0	0	110.1	T17 P18 P20 E281 I282 D283	T17-L285 HydrophobicContact CG2-CD2 3.99Å; P18-L285 VanDerWaalsContact O-CD1 3.29Å; P18-L285 WeakPolarHBondContact O-CD1 3.12Å; P20-L285 HydrophobicContact CB-CD1 4.18Å; P20-L285 HydrophobicContact CG-CD1 3.63Å; E281-L285 VanDerWaalsContact CA-O 3.29Å; E281-L285 WeakPolarHBondContact CA-O 3.48Å; I282-L285 PolarHBondContact N-O 2.9Å; I282-L285 WeakPolarHBondContact O-CA 3.29Å; I282-L285 VanDerWaalsContact O-CB 3.27Å; I282-L285 WeakPolarHBondContact O-CB 3.15Å; I282-L285 PolarHBondContact O-N 3.23Å; D283-L285 PolarHBondContact O-N 2.83Å
286	T	96.6	Very high	93.7	Very high	53 Å²	53	52 Å²	52	33%	0.325	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	126.9	174	-55	0	0	0	0	110.8	R279 L280 S321	R279-T286 HydrophobicContact CG-CG2 4.33Å; L280-T286 WeakPolarHBondContact O-CA 3.38Å; T286-S321 VanDerWaalsContact CG2-O 3.29Å; T286-S321 WeakPolarHBondContact CG2-O 3.36Å
287	I	96.9	Very high	93.5	Very high	31 Å²	31	53.1 Å²	53.1	16%	0.159	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	120.3	167.1	-52.2	-60.3	0	0	0	107.2	P119 I122 I123 R279 L280 I282	P119-I287 HydrophobicContact CB-CG2 3.88Å; P119-I287 HydrophobicContact CG-CG2 4.48Å; I122-I287 HydrophobicContact CB-CG2 4.39Å; I122-I287 HydrophobicContact CD1-CD1 4.42Å; I122-I287 HydrophobicContact CG2-CG1 4.23Å; I122-I287 HydrophobicContact CG2-CG2 4.35Å; I123-I287 HydrophobicContact CD1-CG2 4.29Å; I123-I287 HydrophobicContact CG1-CG2 4.12Å; R279-I287 CarbonylContact C-O 3.5Å; R279-I287 VanDerWaalsContact CA-O 3.28Å; R279-I287 WeakPolarHBondContact CA-O 3.12Å; L280-I287 HydrophobicContact CD1-CB 3.96Å; L280-I287 HydrophobicContact CD1-CG1 4.07Å; L280-I287 PolarHBondContact N-O 3.05Å; L280-I287 PolarHBondContact O-N 2.89Å; I282-I287 HydrophobicContact CD1-CG1 4.39Å
288	S	94.6	Very high	93.3	Very high	28 Å²	28	52.9 Å²	52.9	20%	0.196	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	149.3	-177.5	59.5	0	0	0	0	111.6
289	C	91.1	Very high	93.1	Very high	32 Å²	32	59 Å²	59	22%	0.216	31%	0.311	C	S	.	.			trans	-78.2	128.8	161.6	-174.5	0	0	0	0	109.9	S276 S278	S276-C289 VanDerWaalsContact O-CB 3.27Å; S276-C289 WeakPolarHBondContact O-CB 3.43Å; S278-C289 PolarHBondContact O-N 3.03Å
290	D	90.3	Very high	92.8	Very high	111 Å²	111	59.9 Å²	59.9	59%	0.594	32%	0.319	S	S	*	.			trans	-93.6	106	174.4	-174	6.7	0	0	0	110.6	S292	D290-S292 WeakPolarHBondContact OD1-CB 3.46Å; D290-S292 PolarHBondContact OD1-N 3.31Å; D290-S292 PolarHBondContact OD1-OG 2.78Å; D290-S292 PolarHBondContact OD2-OG 3.48Å
291	I	92.3	Very high	92.5	Very high	8 Å²	8	67.9 Å²	67.9	4%	0.041	36%	0.357	C	S	.	.			trans	-106.3	21.7	177.4	61.8	-175.7	0	0	0	112.1	L277 N293 D294 L297 F298 W320	L277-I291 HydrophobicContact CD1-CD1 4.33Å; L277-I291 HydrophobicContact CD2-CG2 3.79Å; I291-N293 PolarHBondContact O-N 3.03Å; I291-N293 VanDerWaalsContact O-N 3.15Å; I291-D294 HydrophobicContact CB-CB 4.2Å; I291-D294 PolarHBondContact O-N 3.41Å; I291-L297 HydrophobicContact CD1-CD2 3.69Å; I291-F298 HydrophobicContact CD1-CZ 4.49Å; I291-F298 HydrophobicContact CG1-CZ 4.42Å; I291-W320 HydrophobicContact CD1-CD2 3.86Å; I291-W320 HydrophobicContact CD1-CE3 3.7Å; I291-W320 HydrophobicContact CD1-CH2 3.68Å; I291-W320 HydrophobicContact CD1-CZ2 3.85Å; I291-W320 HydrophobicContact CD1-CZ3 3.61Å; I291-W320 HydrophobicContact CG1-CD2 3.39Å; I291-W320 HydrophobicContact CG1-CE3 3.77Å; I291-W320 HydrophobicContact CG1-CG 3.81Å; I291-W320 HydrophobicContact CG1-CH2 4.13Å; I291-W320 HydrophobicContact CG1-CZ2 3.79Å; I291-W320 HydrophobicContact CG1-CZ3 4.13Å
292	S	92.8	Very high	92.3	Very high	20 Å²	20	69.9 Å²	69.9	14%	0.14	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.7	-177.1	56	0	0	0	0	114.5	D290 N318	D290-S292 WeakPolarHBondContact OD1-CB 3.46Å; D290-S292 PolarHBondContact OD1-N 3.31Å; D290-S292 PolarHBondContact OD1-OG 2.78Å; D290-S292 PolarHBondContact OD2-OG 3.48Å; S292-N318 PolarHBondContact O-ND2 2.95Å
293	N	90.3	Very high	92.4	Very high	144 Å²	144	71.1 Å²	71.1	77%	0.77	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.7	1	-178.9	-61	-48.3	0	0	0	113.8	I291 E295	I291-N293 PolarHBondContact O-N 3.03Å; I291-N293 VanDerWaalsContact O-N 3.15Å; N293-E295 PolarHBondContact O-N 2.82Å; N293-E295 VanDerWaalsContact O-N 3.11Å
294	D	89.8	Confident	92.7	Very high	61 Å²	61	69.4 Å²	69.4	33%	0.326	38%	0.383	S	S	.	.			trans	-84	82.4	-179.5	-174.3	-15	0	0	0	110.3	I291 E296 L297 F298	I291-D294 HydrophobicContact CB-CB 4.2Å; I291-D294 PolarHBondContact O-N 3.41Å; D294-E296 VanDerWaalsContact C-N 3.31Å; D294-E296 PolarHBondContact O-N 2.77Å; D294-E296 PolarHBondContact OD1-N 3.24Å; D294-L297 HydrophobicContact CB-CB 4.39Å; D294-L297 WeakPolarHBondContact OD1-CB 3.39Å; D294-L297 PolarHBondContact OD1-N 3.25Å; D294-F298 WeakPolarHBondContact O-CD2 3.47Å; D294-F298 WeakPolarHBondContact O-CE2 3.27Å
295	E	91.2	Very high	93.1	Very high	83 Å²	83	63.5 Å²	63.5	39%	0.388	35%	0.35	S	S	.	.	H	α-helix	trans	-71.3	-26	-179.3	-68	-62.3	161.2	0	0	113	N293 F298 M299 R313	N293-E295 PolarHBondContact O-N 2.82Å; N293-E295 VanDerWaalsContact O-N 3.11Å; E295-F298 PolarHBondContact O-N 3.41Å; E295-M299 HydrophobicContact CB-CE 4.11Å; E295-M299 WeakPolarHBondContact O-CG 3.39Å; E295-M299 PolarHBondContact O-N 2.96Å; E295-R313 IonicContact OE1-CZ 3.79Å; E295-R313 IonicContact OE1-NH1 3.51Å; E295-R313 PolarHBondContact OE1-NH1 2.93Å; E295-R313 IonicContact OE1-NH2 3.78Å; E295-R313 PolarHBondContact OE1-NH2 3.27Å; E295-R313 IonicContact OE2-CZ 2.94Å; E295-R313 IonicContact OE2-NH1 3.84Å; E295-R313 PolarHBondContact OE2-NH1 2.64Å; E295-R313 IonicContact OE2-NH2 3.43Å
296	E	89.3	Confident	93.2	Very high	144 Å²	144	64.7 Å²	64.7	67%	0.673	35%	0.354	S	S	*	.	H	α-helix	trans	-66.7	-41.6	-178.3	-63.1	-163.9	177.6	0	0	111.3	D294 F298 M299	D294-E296 VanDerWaalsContact C-N 3.31Å; D294-E296 PolarHBondContact O-N 2.77Å; D294-E296 PolarHBondContact OD1-N 3.24Å; E296-F298 PolarHBondContact O-N 3.09Å; E296-M299 PolarHBondContact O-N 3.17Å; E296-M299 VanDerWaalsContact O-N 3.07Å
297	L	89.8	Confident	93.3	Very high	34 Å²	34	65.6 Å²	65.6	18%	0.178	36%	0.355	C	S	.	.	H	α-helix	trans	-54.5	-37.9	174.3	-176.3	67	0	0	0	112.8	L277 I291 D294 Y309	L277-L297 HydrophobicContact CD1-CD2 3.99Å; I291-L297 HydrophobicContact CD1-CD2 3.69Å; D294-L297 HydrophobicContact CB-CB 4.39Å; D294-L297 WeakPolarHBondContact OD1-CB 3.39Å; D294-L297 PolarHBondContact OD1-N 3.25Å; L297-Y309 HydrophobicContact CD1-CD1 4.28Å; L297-Y309 HydrophobicContact CD1-CD2 3.88Å; L297-Y309 HydrophobicContact CD1-CE1 4.15Å; L297-Y309 HydrophobicContact CD1-CE2 3.75Å; L297-Y309 HydrophobicContact CD1-CG 4.19Å; L297-Y309 HydrophobicContact CD2-CD1 4.37Å; L297-Y309 HydrophobicContact CG-CD1 4.34Å; L297-Y309 HydrophobicContact CG-CD2 4.12Å; L297-Y309 HydrophobicContact CG-CE2 4.49Å; L297-Y309 HydrophobicContact CG-CG 4.09Å
298	F	93.6	Very high	93.4	Very high	12 Å²	12	64.1 Å²	64.1	5%	0.053	35%	0.347	C	S	.	.	H	α-helix	trans	-83.7	-16	-178.7	-56	-63.4	0	0	0	114	I291 D294 E295 E296 R310 R313 W320	I291-F298 HydrophobicContact CD1-CZ 4.49Å; I291-F298 HydrophobicContact CG1-CZ 4.42Å; D294-F298 WeakPolarHBondContact O-CD2 3.47Å; D294-F298 WeakPolarHBondContact O-CE2 3.27Å; E295-F298 PolarHBondContact O-N 3.41Å; E296-F298 PolarHBondContact O-N 3.09Å; F298-R310 HydrophobicContact CB-CG 4.49Å; F298-R310 PolarHBondContact O-NH1 3.39Å; F298-R313 HydrophobicContact CD1-CB 4.28Å; F298-R313 VanDerWaalsContact CD2-NH1 3.34Å; F298-R313 HydrophobicContact CE1-CB 3.86Å; F298-R313 HydrophobicContact CE1-CG 4.27Å; F298-R313 HydrophobicContact CZ-CB 4.35Å; F298-R313 HydrophobicContact CZ-CG 4.33Å; F298-W320 HydrophobicContact CE1-CH2 4.1Å; F298-W320 AromaticContact CE1-CZ2 3.73Å; F298-W320 HydrophobicContact CE1-CZ2 3.73Å; F298-W320 HydrophobicContact CZ-CH2 4.2Å; F298-W320 AromaticContact CZ-CZ2 3.46Å; F298-W320 HydrophobicContact CZ-CZ2 3.46Å; F298-W320 VanDerWaalsContact CZ-CZ2 3.46Å
299	M	93.1	Very high	93.5	Very high	130 Å²	130	63.1 Å²	63.1	64%	0.64	34%	0.339	S	S	*	.	H	α-helix	trans	-84.5	-9.7	178.7	-72.6	-174.7	-165.6	0	0	113.8	E295 E296 Q301	E295-M299 HydrophobicContact CB-CE 4.11Å; E295-M299 WeakPolarHBondContact O-CG 3.39Å; E295-M299 PolarHBondContact O-N 2.96Å; E296-M299 PolarHBondContact O-N 3.17Å; E296-M299 VanDerWaalsContact O-N 3.07Å; M299-Q301 WeakPolarHBondContact O-CG 3.49Å
300	G	91.6	Very high	93.9	Very high	18 Å²	18	65.2 Å²	65.2	19%	0.186	34%	0.343	C	S	.	.			trans	-54.7	145.7	179.4	0	0	0	0	0	114.1	F306 R310	G300-F306 VanDerWaalsContact C-CB 3.45Å; G300-F306 WeakPolarHBondContact O-CB 3.44Å; G300-R310 PolarHBondContact O-NH1 2.86Å
301	Q	93.2	Very high	94.3	Very high	168 Å²	168	62.1 Å²	62.1	79%	0.785	33%	0.326	S	S	*	.			trans	-141.4	165	-177.1	-60.5	-172.5	5.2	0	0	111.8	M299 F306	M299-Q301 WeakPolarHBondContact O-CG 3.49Å; Q301-F306 VanDerWaalsContact C-CD2 3.5Å; Q301-F306 WeakPolarHBondContact O-CD2 3.29Å; Q301-F306 WeakPolarHBondContact O-CE2 3.49Å
302	G	92.9	Very high	94.6	Very high	86 Å²	86	61.7 Å²	61.7	89%	0.887	32%	0.324	S	S	*	.	S	Bend	trans	96.8	-14.6	173.1	0	0	0	0	0	114.7
303	D	96.3	Very high	94.8	Very high	49 Å²	49	63.8 Å²	63.8	26%	0.262	33%	0.329	S	S	.	.	S	Bend	trans	-134.9	153.6	173.9	-155.7	-73.9	0	0	0	111.9	Q305 F306 Y334 K338	D303-Q305 HydrophobicContact CB-CB 4.24Å; D303-Q305 PolarHBondContact O-N 3.5Å; D303-Q305 PolarHBondContact OD1-N 3.09Å; D303-F306 HydrophobicContact CB-CD2 3.94Å; D303-F306 HydrophobicContact CB-CE2 3.83Å; D303-F306 PolarHBondContact O-N 3.21Å; D303-Y334 WeakPolarHBondContact OD1-CE2 3.42Å; D303-K338 WeakPolarHBondContact OD1-CE 3.42Å; D303-K338 IonicContact OD1-NZ 2.77Å; D303-K338 PolarHBondContact OD1-NZ 2.84Å; D303-K338 IonicContact OD2-NZ 3.22Å; D303-K338 PolarHBondContact OD2-NZ 2.77Å
304	Y	97.9	Very high	95.2	Very high	61 Å²	61	64.2 Å²	64.2	24%	0.239	33%	0.326	C	S	.	.	H	α-helix	trans	-63.5	-23.8	173.8	-175	-141.6	0	0	0	112	F306 E307 I308 H333 Y334	Y304-F306 VanDerWaalsContact C-N 3.26Å; Y304-F306 PolarHBondContact O-N 3.29Å; Y304-E307 HydrophobicContact CD2-CB 3.7Å; Y304-E307 HydrophobicContact CD2-CG 4.19Å; Y304-E307 HydrophobicContact CE2-CB 3.88Å; Y304-E307 HydrophobicContact CE2-CG 3.93Å; Y304-E307 WeakPolarHBondContact O-CB 3.4Å; Y304-E307 PolarHBondContact O-N 2.61Å; Y304-I308 HydrophobicContact CD1-CD1 4.46Å; Y304-I308 HydrophobicContact CE1-CD1 3.85Å; Y304-I308 HydrophobicContact CE2-CD1 3.9Å; Y304-I308 VanDerWaalsContact CZ-CD1 3.5Å; Y304-I308 PolarHBondContact O-N 3.15Å; Y304-H333 AromaticContact CE1-CE1 3.82Å; Y304-H333 AromaticContact CE1-ND1 3.37Å; Y304-H333 WeakPolarHBondContact CE1-ND1 3.34Å; Y304-H333 AromaticContact CZ-CE1 3.81Å; Y304-H333 AromaticContact CZ-ND1 3.45Å; Y304-H333 PolarHBondContact OH-CE1 2.99Å; Y304-H333 VanDerWaalsContact OH-CE1 3.24Å; Y304-H333 PolarHBondContact OH-ND1 3.45Å; Y304-Y334 AromaticContact CD1-CD2 3.8Å; Y304-Y334 HydrophobicContact CD1-CD2 3.8Å; Y304-Y334 HydrophobicContact CD1-CG 4.4Å; Y304-Y334 HydrophobicContact CG-CD2 4.2Å
305	Q	97.3	Very high	95.5	Very high	30 Å²	30	64.8 Å²	64.8	14%	0.14	33%	0.327	C	S	.	.	H	α-helix	trans	-49.2	-47.4	174	-179.8	174.6	-27.4	0	0	112.1	H238 D303 E307 I308 Y309 W331 Y334	H238-Q305 HydrophobicContact CB-CG 4.13Å; H238-Q305 VanDerWaalsContact CB-OE1 3.29Å; D303-Q305 HydrophobicContact CB-CB 4.24Å; D303-Q305 PolarHBondContact O-N 3.5Å; D303-Q305 PolarHBondContact OD1-N 3.09Å; Q305-E307 PolarHBondContact O-N 3.4Å; Q305-I308 VanDerWaalsContact O-CB 3.31Å; Q305-I308 WeakPolarHBondContact O-CB 3.37Å; Q305-I308 PolarHBondContact O-N 3.48Å; Q305-Y309 HydrophobicContact CG-CE2 3.95Å; Q305-Y309 PolarHBondContact NE2-OH 3.1Å; Q305-Y309 PolarHBondContact O-N 3.38Å; Q305-W331 HydrophobicContact CG-CH2 3.82Å; Q305-W331 HydrophobicContact CG-CZ3 4.13Å; Q305-Y334 HydrophobicContact CB-CD2 4.36Å; Q305-Y334 HydrophobicContact CB-CE2 3.61Å; Q305-Y334 VanDerWaalsContact N-CE2 3.29Å
306	F	97.1	Very high	95.8	Very high	55 Å²	55	61.1 Å²	61.1	24%	0.241	31%	0.31	C	S	.	.	H	α-helix	trans	-69.1	-25.9	-177.5	-52.7	-68	0	0	0	113.1	G300 Q301 D303 Y304 I308 Y309 R310	G300-F306 VanDerWaalsContact C-CB 3.45Å; G300-F306 WeakPolarHBondContact O-CB 3.44Å; Q301-F306 VanDerWaalsContact C-CD2 3.5Å; Q301-F306 WeakPolarHBondContact O-CD2 3.29Å; Q301-F306 WeakPolarHBondContact O-CE2 3.49Å; D303-F306 HydrophobicContact CB-CD2 3.94Å; D303-F306 HydrophobicContact CB-CE2 3.83Å; D303-F306 PolarHBondContact O-N 3.21Å; Y304-F306 VanDerWaalsContact C-N 3.26Å; Y304-F306 PolarHBondContact O-N 3.29Å; F306-I308 VanDerWaalsContact C-N 3.32Å; F306-Y309 HydrophobicContact CD1-CD2 4.19Å; F306-Y309 AromaticContact CD1-CE2 3.99Å; F306-Y309 HydrophobicContact CD1-CE2 3.99Å; F306-R310 VanDerWaalsContact O-CZ 3.24Å; F306-R310 PolarHBondContact O-N 2.89Å; F306-R310 PolarHBondContact O-NH1 3.45Å
307	E	98.3	Very high	96.2	Very high	72 Å²	72	56.8 Å²	56.8	34%	0.336	30%	0.303	S	S	.	.	H	α-helix	trans	-69.8	-33.2	171.9	-170.1	59.1	-158.4	0	0	111.3	Y304 Q305 Y309 R310 L311	Y304-E307 HydrophobicContact CD2-CB 3.7Å; Y304-E307 HydrophobicContact CD2-CG 4.19Å; Y304-E307 HydrophobicContact CE2-CB 3.88Å; Y304-E307 HydrophobicContact CE2-CG 3.93Å; Y304-E307 WeakPolarHBondContact O-CB 3.4Å; Y304-E307 PolarHBondContact O-N 2.61Å; Q305-E307 PolarHBondContact O-N 3.4Å; E307-Y309 VanDerWaalsContact C-N 3.34Å; E307-Y309 PolarHBondContact O-N 2.86Å; E307-R310 PolarHBondContact O-N 2.98Å; E307-R310 IonicContact OE2-CZ 2.64Å; E307-R310 IonicContact OE2-NE 3.39Å; E307-R310 PolarHBondContact OE2-NE 3.36Å; E307-R310 IonicContact OE2-NH2 3.31Å; E307-R310 PolarHBondContact OE2-NH2 3.09Å; E307-L311 HydrophobicContact CG-CD1 4.06Å; E307-L311 HydrophobicContact CG-CG 4.27Å; E307-L311 WeakPolarHBondContact O-CB 3.43Å; E307-L311 VanDerWaalsContact O-CG 3.3Å; E307-L311 WeakPolarHBondContact O-CG 3.46Å; E307-L311 PolarHBondContact O-N 2.88Å
308	I	98.5	Very high	96.5	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-61.2	-42.9	175.7	-55.3	-53.4	0	0	0	111	Y304 Q305 F306 R310 L311 M312 L330 W331 Y334	Y304-I308 HydrophobicContact CD1-CD1 4.46Å; Y304-I308 HydrophobicContact CE1-CD1 3.85Å; Y304-I308 HydrophobicContact CE2-CD1 3.9Å; Y304-I308 VanDerWaalsContact CZ-CD1 3.5Å; Y304-I308 PolarHBondContact O-N 3.15Å; Q305-I308 VanDerWaalsContact O-CB 3.31Å; Q305-I308 WeakPolarHBondContact O-CB 3.37Å; Q305-I308 PolarHBondContact O-N 3.48Å; F306-I308 VanDerWaalsContact C-N 3.32Å; I308-R310 VanDerWaalsContact C-N 3.31Å; I308-R310 PolarHBondContact O-N 2.94Å; I308-L311 HydrophobicContact CD1-CD1 4.34Å; I308-L311 PolarHBondContact O-N 3.23Å; I308-M312 HydrophobicContact CG2-CE 4.45Å; I308-M312 HydrophobicContact CG2-CG 4.21Å; I308-M312 HydrophobicContact CG2-SD 4.43Å; I308-M312 VanDerWaalsContact O-CG 3.31Å; I308-M312 WeakPolarHBondContact O-CG 3.28Å; I308-M312 PolarHBondContact O-N 3.48Å; I308-L330 HydrophobicContact CD1-CB 4.3Å; I308-L330 WeakPolarHBondContact CD1-O 3.49Å; I308-L330 HydrophobicContact CG2-CB 3.99Å; I308-W331 HydrophobicContact CB-CH2 4.35Å; I308-W331 HydrophobicContact CB-CZ2 4.2Å; I308-W331 HydrophobicContact CG1-CE3 4.49Å; I308-W331 HydrophobicContact CG2-CD2 3.73Å; I308-W331 VanDerWaalsContact CG2-CE2 3.45Å; I308-W331 HydrophobicContact CG2-CE3 4.23Å; I308-W331 HydrophobicContact CG2-CG 4.11Å; I308-W331 HydrophobicContact CG2-CH2 4.35Å; I308-W331 HydrophobicContact CG2-CZ2 3.79Å; I308-Y334 HydrophobicContact CG1-CD2 4.25Å; I308-Y334 HydrophobicContact CG1-CG 4.29Å
309	Y	98.2	Very high	96.7	Very high	7 Å²	7	63.4 Å²	63.4	3%	0.027	33%	0.333	C	S	.	.	H	α-helix	trans	-58.1	-43.2	175.7	-56.5	-53.9	0	0	0	112.2	D236 L277 L297 Q305 F306 E307 M312 R313 W331	D236-Y309 WeakPolarHBondContact OD1-CE1 3.34Å; D236-Y309 VanDerWaalsContact OD1-CZ 3.32Å; D236-Y309 PolarHBondContact OD1-OH 2.95Å; L277-Y309 HydrophobicContact CD1-CE1 4.22Å; L297-Y309 HydrophobicContact CD1-CD1 4.28Å; L297-Y309 HydrophobicContact CD1-CD2 3.88Å; L297-Y309 HydrophobicContact CD1-CE1 4.15Å; L297-Y309 HydrophobicContact CD1-CE2 3.75Å; L297-Y309 HydrophobicContact CD1-CG 4.19Å; L297-Y309 HydrophobicContact CD2-CD1 4.37Å; L297-Y309 HydrophobicContact CG-CD1 4.34Å; L297-Y309 HydrophobicContact CG-CD2 4.12Å; L297-Y309 HydrophobicContact CG-CE2 4.49Å; L297-Y309 HydrophobicContact CG-CG 4.09Å; Q305-Y309 HydrophobicContact CG-CE2 3.95Å; Q305-Y309 PolarHBondContact NE2-OH 3.1Å; Q305-Y309 PolarHBondContact O-N 3.38Å; F306-Y309 HydrophobicContact CD1-CD2 4.19Å; F306-Y309 AromaticContact CD1-CE2 3.99Å; F306-Y309 HydrophobicContact CD1-CE2 3.99Å; E307-Y309 VanDerWaalsContact C-N 3.34Å; E307-Y309 PolarHBondContact O-N 2.86Å; Y309-M312 HydrophobicContact CD1-CE 3.58Å; Y309-M312 HydrophobicContact CE1-CE 4.33Å; Y309-M312 HydrophobicContact CG-CE 4.49Å; Y309-M312 PolarHBondContact O-N 3.18Å; Y309-R313 PolarHBondContact O-N 3.02Å; Y309-W331 HydrophobicContact CD1-CZ2 4.19Å; Y309-W331 HydrophobicContact CE1-CH2 4Å; Y309-W331 AromaticContact CE1-CZ2 3.67Å; Y309-W331 HydrophobicContact CE1-CZ2 3.67Å
310	R	98.4	Very high	96.9	Very high	77 Å²	77	57.4 Å²	57.4	29%	0.291	30%	0.303	S	S	.	.	H	α-helix	trans	-65.1	-43	176.9	-69.4	-176.2	-73.4	-86.8	1.1	112.3	F298 G300 F306 E307 I308 R313 Q314	F298-R310 HydrophobicContact CB-CG 4.49Å; F298-R310 PolarHBondContact O-NH1 3.39Å; G300-R310 PolarHBondContact O-NH1 2.86Å; F306-R310 VanDerWaalsContact O-CZ 3.24Å; F306-R310 PolarHBondContact O-N 2.89Å; F306-R310 PolarHBondContact O-NH1 3.45Å; E307-R310 PolarHBondContact O-N 2.98Å; E307-R310 IonicContact OE2-CZ 2.64Å; E307-R310 IonicContact OE2-NE 3.39Å; E307-R310 PolarHBondContact OE2-NE 3.36Å; E307-R310 IonicContact OE2-NH2 3.31Å; E307-R310 PolarHBondContact OE2-NH2 3.09Å; I308-R310 VanDerWaalsContact C-N 3.31Å; I308-R310 PolarHBondContact O-N 2.94Å; R310-R313 PolarHBondContact O-N 3.11Å; R310-Q314 PolarHBondContact O-N 3.46Å
311	L	98.5	Very high	97.1	Very high	45 Å²	45	59.7 Å²	59.7	24%	0.236	32%	0.316	C	S	.	.	H	α-helix	trans	-64.6	-40	177.2	-69.9	171.6	0	0	0	111.7	E307 I308 Q314 E315 L330	E307-L311 HydrophobicContact CG-CD1 4.06Å; E307-L311 HydrophobicContact CG-CG 4.27Å; E307-L311 WeakPolarHBondContact O-CB 3.43Å; E307-L311 VanDerWaalsContact O-CG 3.3Å; E307-L311 WeakPolarHBondContact O-CG 3.46Å; E307-L311 PolarHBondContact O-N 2.88Å; I308-L311 HydrophobicContact CD1-CD1 4.34Å; I308-L311 PolarHBondContact O-N 3.23Å; L311-Q314 PolarHBondContact O-N 3.49Å; L311-E315 WeakPolarHBondContact O-CB 3.5Å; L311-E315 PolarHBondContact O-N 3.02Å; L311-L330 HydrophobicContact CB-CD1 3.72Å; L311-L330 HydrophobicContact CB-CD2 4.3Å; L311-L330 HydrophobicContact CD1-CD2 4.19Å
312	M	98.4	Very high	97.2	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-63.7	-44.6	174	-68.5	-168.9	-62.3	0	0	111.9	R235 I308 Y309 Q314 E315 N316 W320 T327 L330 W331	R235-M312 HydrophobicContact CB-CE 4.31Å; R235-M312 HydrophobicContact CB-SD 3.99Å; R235-M312 HydrophobicContact CG-SD 4.1Å; R235-M312 WeakPolarHBondContact O-CE 3.48Å; I308-M312 HydrophobicContact CG2-CE 4.45Å; I308-M312 HydrophobicContact CG2-CG 4.21Å; I308-M312 HydrophobicContact CG2-SD 4.43Å; I308-M312 VanDerWaalsContact O-CG 3.31Å; I308-M312 WeakPolarHBondContact O-CG 3.28Å; I308-M312 PolarHBondContact O-N 3.48Å; Y309-M312 HydrophobicContact CD1-CE 3.58Å; Y309-M312 HydrophobicContact CE1-CE 4.33Å; Y309-M312 HydrophobicContact CG-CE 4.49Å; Y309-M312 PolarHBondContact O-N 3.18Å; M312-Q314 PolarHBondContact O-N 2.98Å; M312-E315 PolarHBondContact O-N 3.27Å; M312-E315 VanDerWaalsContact O-N 3.15Å; M312-N316 PolarHBondContact O-N 3.4Å; M312-N316 PolarHBondContact O-ND2 3.43Å; M312-N316 PolarHBondContact O-OD1 2.82Å; M312-W320 HydrophobicContact CB-CH2 3.87Å; M312-W320 HydrophobicContact CB-CZ3 4.11Å; M312-W320 HydrophobicContact CE-CH2 4.32Å; M312-W320 HydrophobicContact CE-CZ3 4.26Å; M312-T327 HydrophobicContact CB-CG2 4.07Å; M312-T327 HydrophobicContact CG-CG2 3.69Å; M312-T327 HydrophobicContact SD-CG2 4.04Å; M312-L330 HydrophobicContact CG-CD1 3.94Å; M312-W331 HydrophobicContact CE-CZ2 4.3Å; M312-W331 PolarHBondContact SD-NE1 3.44Å; M312-W331 VanDerWaalsContact SD-NE1 3.44Å
313	R	97.9	Very high	97.5	Very high	64 Å²	64	52.7 Å²	52.7	24%	0.242	26%	0.262	C	S	.	.	H	α-helix	trans	-58.8	-38.8	176	-169.9	178.3	-174	-176.2	0.3	111.5	E295 F298 Y309 R310 N316 G317 N318 W320	E295-R313 IonicContact OE1-CZ 3.79Å; E295-R313 IonicContact OE1-NH1 3.51Å; E295-R313 PolarHBondContact OE1-NH1 2.93Å; E295-R313 IonicContact OE1-NH2 3.78Å; E295-R313 PolarHBondContact OE1-NH2 3.27Å; E295-R313 IonicContact OE2-CZ 2.94Å; E295-R313 IonicContact OE2-NH1 3.84Å; E295-R313 PolarHBondContact OE2-NH1 2.64Å; E295-R313 IonicContact OE2-NH2 3.43Å; F298-R313 HydrophobicContact CD1-CB 4.28Å; F298-R313 VanDerWaalsContact CD2-NH1 3.34Å; F298-R313 HydrophobicContact CE1-CB 3.86Å; F298-R313 HydrophobicContact CE1-CG 4.27Å; F298-R313 HydrophobicContact CZ-CB 4.35Å; F298-R313 HydrophobicContact CZ-CG 4.33Å; Y309-R313 PolarHBondContact O-N 3.02Å; R310-R313 PolarHBondContact O-N 3.11Å; R313-N316 PolarHBondContact O-OD1 2.85Å; R313-G317 WeakPolarHBondContact O-CA 3.44Å; R313-G317 PolarHBondContact O-N 2.78Å; R313-G317 VanDerWaalsContact O-N 3.08Å; R313-N318 HydrophobicContact CG-CB 4.12Å; R313-N318 WeakPolarHBondContact CG-OD1 3.36Å; R313-N318 PolarHBondContact NE-OD1 2.82Å; R313-N318 PolarHBondContact O-N 2.85Å; R313-W320 HydrophobicContact CB-CH2 4.5Å; R313-W320 HydrophobicContact CB-CZ2 3.96Å; R313-W320 HydrophobicContact CG-CZ2 4.3Å
314	Q	97.9	Very high	97.6	Very high	153 Å²	153	52.6 Å²	52.6	72%	0.715	26%	0.26	S	S	*	.	H	α-helix	trans	-67.3	-46.6	174	-178.5	-178.8	-11.6	0	0	111.8	R310 L311 M312 N316 G317	R310-Q314 PolarHBondContact O-N 3.46Å; L311-Q314 PolarHBondContact O-N 3.49Å; M312-Q314 PolarHBondContact O-N 2.98Å; Q314-N316 PolarHBondContact O-N 3.32Å; Q314-G317 PolarHBondContact O-N 2.91Å
315	E	97.3	Very high	97.6	Very high	73 Å²	73	51 Å²	51	34%	0.341	26%	0.258	S	S	.	.	H	α-helix	trans	-61.1	-43.5	-177.9	-176.3	64.7	-143.8	0	0	112.2	L311 M312 H324 R326	L311-E315 WeakPolarHBondContact O-CB 3.5Å; L311-E315 PolarHBondContact O-N 3.02Å; M312-E315 PolarHBondContact O-N 3.27Å; M312-E315 VanDerWaalsContact O-N 3.15Å; E315-H324 HydrophobicContact CG-CB 4.38Å; E315-H324 PolarHBondContact O-CE1 3.21Å; E315-H324 PolarHBondContact O-ND1 3Å; E315-R326 HydrophobicContact CG-CB 4.23Å; E315-R326 HydrophobicContact CG-CG 4.43Å; E315-R326 WeakPolarHBondContact OE1-CD 3.39Å; E315-R326 WeakPolarHBondContact OE2-CD 3.38Å; E315-R326 IonicContact OE2-NE 3.57Å; E315-R326 PolarHBondContact OE2-NE 3.19Å
316	N	96.6	Very high	97.7	Very high	6 Å²	6	53.1 Å²	53.1	3%	0.032	26%	0.264	C	S	.	.	H	α-helix	trans	-92.6	-2.7	-179.1	70.3	26.3	0	0	0	114	M312 R313 Q314 N318 K319 W320	M312-N316 PolarHBondContact O-N 3.4Å; M312-N316 PolarHBondContact O-ND2 3.43Å; M312-N316 PolarHBondContact O-OD1 2.82Å; R313-N316 PolarHBondContact O-OD1 2.85Å; Q314-N316 PolarHBondContact O-N 3.32Å; N316-N318 VanDerWaalsContact C-N 3.3Å; N316-N318 PolarHBondContact O-N 3.13Å; N316-N318 VanDerWaalsContact OD1-CA 3.22Å; N316-N318 WeakPolarHBondContact OD1-CA 3.42Å; N316-N318 PolarHBondContact OD1-N 3.39Å; N316-K319 WeakPolarHBondContact O-CB 3.37Å; N316-K319 PolarHBondContact O-N 2.86Å; N316-K319 VanDerWaalsContact O-N 3.17Å; N316-K319 PolarHBondContact OD1-N 3.43Å; N316-W320 VanDerWaalsContact ND2-CE3 3.33Å; N316-W320 WeakPolarHBondContact ND2-CZ3 3.27Å
317	G	97.3	Very high	97.8	Very high	52 Å²	52	50.5 Å²	50.5	54%	0.536	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	36.6	-176.9	0	0	0	0	0	113.7	R313 Q314 K319	R313-G317 WeakPolarHBondContact O-CA 3.44Å; R313-G317 PolarHBondContact O-N 2.78Å; R313-G317 VanDerWaalsContact O-N 3.08Å; Q314-G317 PolarHBondContact O-N 2.91Å; G317-K319 VanDerWaalsContact C-N 3.28Å; G317-K319 PolarHBondContact O-N 3.36Å
318	N	97.1	Very high	97.8	Very high	47 Å²	47	47.1 Å²	47.1	25%	0.251	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	25.4	-173.1	-152.6	40.3	0	0	0	115.1	S292 R313 N316 W320	S292-N318 PolarHBondContact O-ND2 2.95Å; R313-N318 HydrophobicContact CG-CB 4.12Å; R313-N318 WeakPolarHBondContact CG-OD1 3.36Å; R313-N318 PolarHBondContact NE-OD1 2.82Å; R313-N318 PolarHBondContact O-N 2.85Å; N316-N318 VanDerWaalsContact C-N 3.3Å; N316-N318 PolarHBondContact O-N 3.13Å; N316-N318 VanDerWaalsContact OD1-CA 3.22Å; N316-N318 WeakPolarHBondContact OD1-CA 3.42Å; N316-N318 PolarHBondContact OD1-N 3.39Å; N318-W320 PolarHBondContact OD1-NE1 3.29Å
319	K	97.2	Very high	97.8	Very high	139 Å²	139	47.1 Å²	47.1	60%	0.604	24%	0.237	S	C	*	.			trans	-109	83.9	178.7	-62.9	178.2	-177.6	176.6	0	111.5	N316 G317 S321 S322	N316-K319 WeakPolarHBondContact O-CB 3.37Å; N316-K319 PolarHBondContact O-N 2.86Å; N316-K319 VanDerWaalsContact O-N 3.17Å; N316-K319 PolarHBondContact OD1-N 3.43Å; G317-K319 VanDerWaalsContact C-N 3.28Å; G317-K319 PolarHBondContact O-N 3.36Å; K319-S321 VanDerWaalsContact C-N 3.28Å; K319-S321 PolarHBondContact O-N 2.97Å; K319-S322 WeakPolarHBondContact CB-OG 3.49Å; K319-S322 WeakPolarHBondContact O-CB 3.41Å; K319-S322 PolarHBondContact O-N 2.51Å; K319-S322 VanDerWaalsContact O-N 3.11Å; K319-S322 PolarHBondContact O-OG 3.43Å
320	W	96.5	Very high	97.8	Very high	3 Å²	3	47.3 Å²	47.3	1%	0.011	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-13.9	-170.5	-61.4	94.9	0	0	0	115	R235 I291 F298 M312 R313 N316 N318	R235-W320 PolarHBondContact NH1-O 3.22Å; R235-W320 PolarHBondContact NH2-O 3.25Å; I291-W320 HydrophobicContact CD1-CD2 3.86Å; I291-W320 HydrophobicContact CD1-CE3 3.7Å; I291-W320 HydrophobicContact CD1-CH2 3.68Å; I291-W320 HydrophobicContact CD1-CZ2 3.85Å; I291-W320 HydrophobicContact CD1-CZ3 3.61Å; I291-W320 HydrophobicContact CG1-CD2 3.39Å; I291-W320 HydrophobicContact CG1-CE3 3.77Å; I291-W320 HydrophobicContact CG1-CG 3.81Å; I291-W320 HydrophobicContact CG1-CH2 4.13Å; I291-W320 HydrophobicContact CG1-CZ2 3.79Å; I291-W320 HydrophobicContact CG1-CZ3 4.13Å; F298-W320 HydrophobicContact CE1-CH2 4.1Å; F298-W320 AromaticContact CE1-CZ2 3.73Å; F298-W320 HydrophobicContact CE1-CZ2 3.73Å; F298-W320 HydrophobicContact CZ-CH2 4.2Å; F298-W320 AromaticContact CZ-CZ2 3.46Å; F298-W320 HydrophobicContact CZ-CZ2 3.46Å; F298-W320 VanDerWaalsContact CZ-CZ2 3.46Å; M312-W320 HydrophobicContact CB-CH2 3.87Å; M312-W320 HydrophobicContact CB-CZ3 4.11Å; M312-W320 HydrophobicContact CE-CH2 4.32Å; M312-W320 HydrophobicContact CE-CZ3 4.26Å; R313-W320 HydrophobicContact CB-CH2 4.5Å; R313-W320 HydrophobicContact CB-CZ2 3.96Å; R313-W320 HydrophobicContact CG-CZ2 4.3Å; N316-W320 VanDerWaalsContact ND2-CE3 3.33Å; N316-W320 WeakPolarHBondContact ND2-CZ3 3.27Å; N318-W320 PolarHBondContact OD1-NE1 3.29Å
321	S	95.8	Very high	97.9	Very high	67 Å²	67	43.7 Å²	43.7	47%	0.469	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-23.1	170.9	53.6	0	0	0	0	113.7	R279 T286 K319	R279-S321 PolarHBondContact NE-O 3.16Å; R279-S321 PolarHBondContact NH2-O 2.89Å; R279-S321 VanDerWaalsContact NH2-O 3.15Å; T286-S321 VanDerWaalsContact CG2-O 3.29Å; T286-S321 WeakPolarHBondContact CG2-O 3.36Å; K319-S321 VanDerWaalsContact C-N 3.28Å; K319-S321 PolarHBondContact O-N 2.97Å
322	S	96.4	Very high	97.9	Very high	39 Å²	39	41.5 Å²	41.5	27%	0.273	21%	0.213	S	C	.	.	S	Bend	trans	-66.6	147.8	-177.6	-47.2	0	0	0	0	111.4	R235 K319 H324	R235-S322 PolarHBondContact NH2-O 2.88Å; K319-S322 WeakPolarHBondContact CB-OG 3.49Å; K319-S322 WeakPolarHBondContact O-CB 3.41Å; K319-S322 PolarHBondContact O-N 2.51Å; K319-S322 VanDerWaalsContact O-N 3.11Å; K319-S322 PolarHBondContact O-OG 3.43Å; S322-H324 WeakPolarHBondContact CB-NE2 3.33Å
323	Y	98.3	Very high	97.9	Very high	67 Å²	67	42.1 Å²	42.1	26%	0.263	22%	0.216	S	C	.	.			trans	-85.6	117.3	174.6	-178.3	-134.7	0	0	0	111.3	H231 E233 P325	H231-Y323 HydrophobicContact CB-CD1 4.04Å; H231-Y323 HydrophobicContact CB-CD2 3.85Å; H231-Y323 HydrophobicContact CB-CE1 3.98Å; H231-Y323 HydrophobicContact CB-CE2 3.8Å; H231-Y323 HydrophobicContact CB-CG 3.97Å; H231-Y323 AromaticContact CD2-CE1 3.6Å; H231-Y323 AromaticContact CD2-CZ 3.99Å; H231-Y323 WeakPolarHBondContact O-CD2 3.32Å; H231-Y323 WeakPolarHBondContact O-CE2 3.22Å; E233-Y323 HydrophobicContact CG-CD2 4.11Å; E233-Y323 HydrophobicContact CG-CE2 4.14Å; E233-Y323 WeakPolarHBondContact OE1-CA 3.39Å; Y323-P325 HydrophobicContact CE1-CB 4.4Å; Y323-P325 HydrophobicContact CE1-CG 3.91Å; Y323-P325 HydrophobicContact CE2-CB 3.89Å; Y323-P325 HydrophobicContact CE2-CG 4.17Å; Y323-P325 WeakPolarHBondContact OH-CB 3.25Å
324	H	98.5	Very high	97.9	Very high	47 Å²	47	39 Å²	39	22%	0.218	21%	0.205	C	C	.	.			trans	-134.6	80.8	177.1	-69.9	-95.4	0	0	0	110.2	E233 E315 S322 R326 T327	E233-H324 VanDerWaalsContact CD-O 3.26Å; E233-H324 PolarHBondContact OE1-N 2.87Å; E233-H324 VanDerWaalsContact OE2-O 3.14Å; E315-H324 HydrophobicContact CG-CB 4.38Å; E315-H324 PolarHBondContact O-CE1 3.21Å; E315-H324 PolarHBondContact O-ND1 3Å; S322-H324 WeakPolarHBondContact CB-NE2 3.33Å; H324-R326 PolarHBondContact O-N 3.45Å; H324-T327 HydrophobicContact CB-CG2 4.17Å; H324-T327 WeakPolarHBondContact O-CG2 3.36Å; H324-T327 PolarHBondContact O-N 3.08Å; H324-T327 PolarHBondContact O-OG1 3.04Å
325	P	98.6	Very high	98	Very high	28 Å²	28	31.9 Å²	31.9	18%	0.182	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-15	-177	24.2	-33.2	0	0	0	113.9	E227 Y323 T327 N328	E227-P325 HydrophobicContact CG-CB 4.31Å; Y323-P325 HydrophobicContact CE1-CB 4.4Å; Y323-P325 HydrophobicContact CE1-CG 3.91Å; Y323-P325 HydrophobicContact CE2-CB 3.89Å; Y323-P325 HydrophobicContact CE2-CG 4.17Å; Y323-P325 WeakPolarHBondContact OH-CB 3.25Å; P325-T327 PolarHBondContact O-N 3.3Å; P325-T327 VanDerWaalsContact O-N 3.16Å; P325-N328 WeakPolarHBondContact O-CB 3.22Å; P325-N328 PolarHBondContact O-N 3.02Å
326	R	98.7	Very high	98.1	Very high	75 Å²	75	28.4 Å²	28.4	28%	0.283	16%	0.155	S	C	.	.	H	α-helix	trans	-57.8	-23.8	170.3	-169.9	158.9	172.8	92.5	3.9	112.8	E315 H324 N328 V329 L330 L367 Y369 S370	E315-R326 HydrophobicContact CG-CB 4.23Å; E315-R326 HydrophobicContact CG-CG 4.43Å; E315-R326 WeakPolarHBondContact OE1-CD 3.39Å; E315-R326 WeakPolarHBondContact OE2-CD 3.38Å; E315-R326 IonicContact OE2-NE 3.57Å; E315-R326 PolarHBondContact OE2-NE 3.19Å; H324-R326 PolarHBondContact O-N 3.45Å; R326-N328 VanDerWaalsContact C-N 3.31Å; R326-N328 PolarHBondContact O-N 3.27Å; R326-V329 WeakPolarHBondContact O-CB 3.31Å; R326-V329 PolarHBondContact O-N 2.91Å; R326-V329 VanDerWaalsContact O-N 3.13Å; R326-L330 WeakPolarHBondContact O-CG 3.2Å; R326-L330 PolarHBondContact O-N 3.48Å; R326-L367 PolarHBondContact NH1-O 3.39Å; R326-L367 PolarHBondContact NH2-O 3.31Å; R326-Y369 PolarHBondContact NH1-O 2.78Å; R326-S370 WeakPolarHBondContact CA-O 3.36Å; R326-S370 PolarHBondContact N-O 3.15Å
327	T	98.8	Very high	98.2	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-63.3	-35.5	172.4	63.9	0	0	0	0	112.3	E233 M312 H324 P325 V329 L330 W331	E233-T327 WeakPolarHBondContact CG-OG1 3.27Å; E233-T327 WeakPolarHBondContact OE2-CB 3.46Å; E233-T327 VanDerWaalsContact OE2-CG2 3.26Å; E233-T327 WeakPolarHBondContact OE2-CG2 3.43Å; E233-T327 PolarHBondContact OE2-OG1 3.11Å; M312-T327 HydrophobicContact CB-CG2 4.07Å; M312-T327 HydrophobicContact CG-CG2 3.69Å; M312-T327 HydrophobicContact SD-CG2 4.04Å; H324-T327 HydrophobicContact CB-CG2 4.17Å; H324-T327 WeakPolarHBondContact O-CG2 3.36Å; H324-T327 PolarHBondContact O-N 3.08Å; H324-T327 PolarHBondContact O-OG1 3.04Å; P325-T327 PolarHBondContact O-N 3.3Å; P325-T327 VanDerWaalsContact O-N 3.16Å; T327-V329 VanDerWaalsContact C-N 3.31Å; T327-V329 PolarHBondContact O-N 2.94Å; T327-L330 WeakPolarHBondContact O-CB 3.47Å; T327-L330 PolarHBondContact O-N 3.38Å; T327-W331 VanDerWaalsContact O-CD1 3.24Å; T327-W331 PolarHBondContact O-N 3.05Å; T327-W331 VanDerWaalsContact O-N 3.14Å
328	N	98.9	Very high	98.2	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.2	-37.2	172.4	-67.5	-31.7	0	0	0	111.3	L223 E227 F232 E233 H234 P325 R326 W331 L332 A372	L223-N328 HydrophobicContact CD1-CB 4.23Å; E227-N328 WeakPolarHBondContact CG-ND2 3.44Å; E227-N328 PolarHBondContact OE1-ND2 3.02Å; F232-N328 PolarHBondContact O-ND2 3.45Å; E233-N328 WeakPolarHBondContact CA-OD1 3.09Å; H234-N328 PolarHBondContact N-OD1 3.28Å; P325-N328 WeakPolarHBondContact O-CB 3.22Å; P325-N328 PolarHBondContact O-N 3.02Å; R326-N328 VanDerWaalsContact C-N 3.31Å; R326-N328 PolarHBondContact O-N 3.27Å; N328-W331 PolarHBondContact O-N 3.36Å; N328-L332 WeakPolarHBondContact O-CG 3.46Å; N328-L332 PolarHBondContact O-N 2.64Å; N328-A372 HydrophobicContact CB-CB 4.32Å
329	V	98.9	Very high	98.3	Very high	0 Å²	0	26.1 Å²	26.1	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-63.5	-42.6	175.4	-179.3	0	0	0	0	111.2	R326 T327 W331 L332 H333 V366 S371	R326-V329 WeakPolarHBondContact O-CB 3.31Å; R326-V329 PolarHBondContact O-N 2.91Å; R326-V329 VanDerWaalsContact O-N 3.13Å; T327-V329 VanDerWaalsContact C-N 3.31Å; T327-V329 PolarHBondContact O-N 2.94Å; V329-W331 VanDerWaalsContact C-N 3.29Å; V329-W331 PolarHBondContact O-N 2.96Å; V329-L332 PolarHBondContact O-N 2.69Å; V329-H333 PolarHBondContact O-N 3.47Å; V329-V366 HydrophobicContact CG1-CG2 3.86Å; V329-V366 WeakPolarHBondContact CG1-O 3.3Å; V329-S371 VanDerWaalsContact CG2-CA 3.47Å; V329-S371 WeakPolarHBondContact CG2-O 3.11Å
330	L	98.9	Very high	98.3	Very high	12 Å²	12	21.4 Å²	21.4	6%	0.063	11%	0.113	C	C	.	.	H	α-helix	trans	-58.3	-42.7	174.9	-64.1	176.1	0	0	0	111.3	I308 L311 M312 R326 T327 H333 Y334 L367	I308-L330 HydrophobicContact CD1-CB 4.3Å; I308-L330 WeakPolarHBondContact CD1-O 3.49Å; I308-L330 HydrophobicContact CG2-CB 3.99Å; L311-L330 HydrophobicContact CB-CD1 3.72Å; L311-L330 HydrophobicContact CB-CD2 4.3Å; L311-L330 HydrophobicContact CD1-CD2 4.19Å; M312-L330 HydrophobicContact CG-CD1 3.94Å; R326-L330 WeakPolarHBondContact O-CG 3.2Å; R326-L330 PolarHBondContact O-N 3.48Å; T327-L330 WeakPolarHBondContact O-CB 3.47Å; T327-L330 PolarHBondContact O-N 3.38Å; L330-H333 WeakPolarHBondContact O-CB 3.31Å; L330-H333 PolarHBondContact O-N 2.81Å; L330-Y334 PolarHBondContact O-N 2.69Å; L330-L367 HydrophobicContact CD2-CD2 3.9Å
331	W	98.9	Very high	98.3	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-69.8	-37.2	175.7	-79.2	111.8	0	0	0	113.9	R235 D236 L237 H238 Q305 I308 Y309 M312 T327 N328 V329 H333 Y334 L335	R235-W331 VanDerWaalsContact O-CZ2 3.22Å; R235-W331 WeakPolarHBondContact O-CZ2 3.32Å; R235-W331 PolarHBondContact O-NE1 3.41Å; D236-W331 VanDerWaalsContact CA-CZ2 3.47Å; L237-W331 VanDerWaalsContact C-CZ3 3.46Å; L237-W331 HydrophobicContact CB-CB 3.88Å; L237-W331 HydrophobicContact CB-CD2 3.98Å; L237-W331 HydrophobicContact CB-CE3 4.22Å; L237-W331 HydrophobicContact CB-CG 3.83Å; L237-W331 HydrophobicContact CD2-CB 4.45Å; L237-W331 VanDerWaalsContact N-CD2 3.33Å; H238-W331 HydrophobicContact CB-CH2 4.28Å; H238-W331 HydrophobicContact CB-CZ3 3.86Å; H238-W331 VanDerWaalsContact N-CZ3 3.3Å; Q305-W331 HydrophobicContact CG-CH2 3.82Å; Q305-W331 HydrophobicContact CG-CZ3 4.13Å; I308-W331 HydrophobicContact CB-CH2 4.35Å; I308-W331 HydrophobicContact CB-CZ2 4.2Å; I308-W331 HydrophobicContact CG1-CE3 4.49Å; I308-W331 HydrophobicContact CG2-CD2 3.73Å; I308-W331 VanDerWaalsContact CG2-CE2 3.45Å; I308-W331 HydrophobicContact CG2-CE3 4.23Å; I308-W331 HydrophobicContact CG2-CG 4.11Å; I308-W331 HydrophobicContact CG2-CH2 4.35Å; I308-W331 HydrophobicContact CG2-CZ2 3.79Å; Y309-W331 HydrophobicContact CD1-CZ2 4.19Å; Y309-W331 HydrophobicContact CE1-CH2 4Å; Y309-W331 AromaticContact CE1-CZ2 3.67Å; Y309-W331 HydrophobicContact CE1-CZ2 3.67Å; M312-W331 HydrophobicContact CE-CZ2 4.3Å; M312-W331 PolarHBondContact SD-NE1 3.44Å; M312-W331 VanDerWaalsContact SD-NE1 3.44Å; T327-W331 VanDerWaalsContact O-CD1 3.24Å; T327-W331 PolarHBondContact O-N 3.05Å; T327-W331 VanDerWaalsContact O-N 3.14Å; N328-W331 PolarHBondContact O-N 3.36Å; V329-W331 VanDerWaalsContact C-N 3.29Å; V329-W331 PolarHBondContact O-N 2.96Å; W331-H333 VanDerWaalsContact C-N 3.28Å; W331-H333 PolarHBondContact O-N 2.6Å; W331-Y334 AromaticContact CE3-CD1 3.79Å; W331-Y334 HydrophobicContact CE3-CD1 3.79Å; W331-Y334 HydrophobicContact CE3-CE1 4.44Å; W331-Y334 HydrophobicContact CE3-CG 4.06Å; W331-Y334 AromaticContact CZ3-CD1 3.93Å; W331-Y334 HydrophobicContact CZ3-CD1 3.93Å; W331-Y334 HydrophobicContact CZ3-CE1 4.2Å; W331-Y334 HydrophobicContact CZ3-CG 4.17Å; W331-Y334 WeakPolarHBondContact O-CB 3.28Å; W331-Y334 PolarHBondContact O-N 3.15Å; W331-L335 WeakPolarHBondContact O-CB 3.15Å; W331-L335 WeakPolarHBondContact O-CG 3.48Å; W331-L335 PolarHBondContact O-N 3.04Å
332	L	98.9	Very high	98.3	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-62.2	-38	172.5	-73.7	174.4	0	0	0	111.6	L216 V219 T220 L223 N328 V329 L335 C336 F362 V366 A372	L216-L332 HydrophobicContact CD1-CD2 3.99Å; V219-L332 HydrophobicContact CG1-CD2 3.82Å; T220-L332 HydrophobicContact CG2-CD1 3.94Å; T220-L332 VanDerWaalsContact OG1-CD2 3.3Å; T220-L332 WeakPolarHBondContact OG1-CD2 3.36Å; L223-L332 HydrophobicContact CD1-CD1 4.43Å; L223-L332 HydrophobicContact CD1-CD2 3.99Å; L223-L332 HydrophobicContact CD1-CG 4.07Å; N328-L332 WeakPolarHBondContact O-CG 3.46Å; N328-L332 PolarHBondContact O-N 2.64Å; V329-L332 PolarHBondContact O-N 2.69Å; L332-L335 PolarHBondContact O-N 2.95Å; L332-C336 WeakPolarHBondContact O-CB 3.3Å; L332-C336 PolarHBondContact O-N 2.79Å; L332-F362 HydrophobicContact CB-CE1 4.48Å; L332-F362 HydrophobicContact CB-CZ 4.42Å; L332-V366 HydrophobicContact CB-CG2 4.3Å; L332-A372 HydrophobicContact CD1-CB 3.88Å
333	H	98.8	Very high	98.2	Very high	12 Å²	12	27.8 Å²	27.8	6%	0.056	14%	0.138	C	C	.	.	H	α-helix	trans	-63.5	-46.9	173.9	-178.5	-106.6	0	0	0	111.5	Y304 V329 L330 W331 C336 S337 Y363 V366 L367	Y304-H333 AromaticContact CE1-CE1 3.82Å; Y304-H333 AromaticContact CE1-ND1 3.37Å; Y304-H333 WeakPolarHBondContact CE1-ND1 3.34Å; Y304-H333 AromaticContact CZ-CE1 3.81Å; Y304-H333 AromaticContact CZ-ND1 3.45Å; Y304-H333 PolarHBondContact OH-CE1 2.99Å; Y304-H333 VanDerWaalsContact OH-CE1 3.24Å; Y304-H333 PolarHBondContact OH-ND1 3.45Å; V329-H333 PolarHBondContact O-N 3.47Å; L330-H333 WeakPolarHBondContact O-CB 3.31Å; L330-H333 PolarHBondContact O-N 2.81Å; W331-H333 VanDerWaalsContact C-N 3.28Å; W331-H333 PolarHBondContact O-N 2.6Å; H333-C336 PolarHBondContact O-N 2.78Å; H333-S337 PolarHBondContact O-N 2.79Å; H333-Y363 AromaticContact CD2-CD2 3.65Å; H333-Y363 AromaticContact CD2-CE2 3.66Å; H333-Y363 PolarHBondContact CD2-O 2.82Å; H333-Y363 VanDerWaalsContact CD2-O 3.23Å; H333-Y363 AromaticContact CE1-CE2 3.46Å; H333-Y363 VanDerWaalsContact CE1-CE2 3.46Å; H333-Y363 WeakPolarHBondContact CE1-CE2 3.47Å; H333-Y363 AromaticContact CE1-CZ 3.65Å; H333-Y363 AromaticContact NE2-CD2 3.54Å; H333-Y363 AromaticContact NE2-CE1 3.86Å; H333-Y363 AromaticContact NE2-CE2 3.12Å; H333-Y363 WeakPolarHBondContact NE2-CE2 3.39Å; H333-Y363 AromaticContact NE2-CZ 3.31Å; H333-Y363 VanDerWaalsContact NE2-CZ 3.31Å; H333-Y363 PolarHBondContact NE2-O 2.75Å; H333-V366 HydrophobicContact CB-CG1 3.64Å; H333-V366 VanDerWaalsContact CD2-CG1 3.47Å; H333-V366 WeakPolarHBondContact CD2-CG1 3.34Å; H333-L367 HydrophobicContact CB-CD2 3.79Å; H333-L367 HydrophobicContact CB-CG 4.33Å
334	Y	98.9	Very high	98	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-56.5	-51.1	172.5	166.5	-86.4	0	0	0	112.3	H238 D303 Y304 Q305 I308 L330 W331 C336 S337 K338	H238-Y334 HydrophobicContact CB-CE1 4.07Å; D303-Y334 WeakPolarHBondContact OD1-CE2 3.42Å; Y304-Y334 AromaticContact CD1-CD2 3.8Å; Y304-Y334 HydrophobicContact CD1-CD2 3.8Å; Y304-Y334 HydrophobicContact CD1-CG 4.4Å; Y304-Y334 HydrophobicContact CG-CD2 4.2Å; Q305-Y334 HydrophobicContact CB-CD2 4.36Å; Q305-Y334 HydrophobicContact CB-CE2 3.61Å; Q305-Y334 VanDerWaalsContact N-CE2 3.29Å; I308-Y334 HydrophobicContact CG1-CD2 4.25Å; I308-Y334 HydrophobicContact CG1-CG 4.29Å; L330-Y334 PolarHBondContact O-N 2.69Å; W331-Y334 AromaticContact CE3-CD1 3.79Å; W331-Y334 HydrophobicContact CE3-CD1 3.79Å; W331-Y334 HydrophobicContact CE3-CE1 4.44Å; W331-Y334 HydrophobicContact CE3-CG 4.06Å; W331-Y334 AromaticContact CZ3-CD1 3.93Å; W331-Y334 HydrophobicContact CZ3-CD1 3.93Å; W331-Y334 HydrophobicContact CZ3-CE1 4.2Å; W331-Y334 HydrophobicContact CZ3-CG 4.17Å; W331-Y334 WeakPolarHBondContact O-CB 3.28Å; W331-Y334 PolarHBondContact O-N 3.15Å; Y334-C336 VanDerWaalsContact C-N 3.31Å; Y334-C336 PolarHBondContact O-N 3.07Å; Y334-S337 WeakPolarHBondContact O-CA 3.44Å; Y334-S337 WeakPolarHBondContact O-CB 3.42Å; Y334-S337 PolarHBondContact O-N 2.86Å; Y334-S337 VanDerWaalsContact O-N 3.1Å; Y334-K338 HydrophobicContact CD1-CG 4.34Å; Y334-K338 HydrophobicContact CE1-CG 3.73Å; Y334-K338 HydrophobicContact CE2-CD 4.41Å; Y334-K338 VanDerWaalsContact CE2-CE 3.41Å; Y334-K338 HydrophobicContact CE2-CG 4.16Å; Y334-K338 PolarHBondContact O-N 2.77Å; Y334-K338 WeakPolarHBondContact OH-CE 2.92Å
335	L	98.8	Very high	97.8	Very high	2 Å²	2	31.1 Å²	31.1	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-61.5	-40.9	-179.2	-77.2	178.1	0	0	0	111.4	L216 V219 L237 W239 V242 W331 L332 S337 K338 L339	L216-L335 HydrophobicContact CD1-CB 4.3Å; V219-L335 HydrophobicContact CG1-CD1 3.85Å; L237-L335 HydrophobicContact CD2-CD1 3.66Å; L237-L335 HydrophobicContact CG-CD1 3.89Å; W239-L335 HydrophobicContact CB-CD2 4.27Å; V242-L335 HydrophobicContact CG2-CD1 4.01Å; V242-L335 HydrophobicContact CG2-CD2 3.92Å; W331-L335 WeakPolarHBondContact O-CB 3.15Å; W331-L335 WeakPolarHBondContact O-CG 3.48Å; W331-L335 PolarHBondContact O-N 3.04Å; L332-L335 PolarHBondContact O-N 2.95Å; L335-S337 VanDerWaalsContact C-N 3.32Å; L335-S337 PolarHBondContact O-N 2.82Å; L335-K338 PolarHBondContact O-N 3.29Å; L335-L339 WeakPolarHBondContact O-CB 3.23Å; L335-L339 VanDerWaalsContact O-CG 3.3Å; L335-L339 WeakPolarHBondContact O-CG 3.43Å; L335-L339 PolarHBondContact O-N 3.18Å
336	C	98.8	Very high	97.1	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-62.2	-40.9	175.5	-168.4	0	0	0	0	111.7	L216 L332 H333 Y334 K338 L339 L340 L359 F362 Y363	L216-C336 HydrophobicContact CD2-CB 3.95Å; L332-C336 WeakPolarHBondContact O-CB 3.3Å; L332-C336 PolarHBondContact O-N 2.79Å; H333-C336 PolarHBondContact O-N 2.78Å; Y334-C336 VanDerWaalsContact C-N 3.31Å; Y334-C336 PolarHBondContact O-N 3.07Å; C336-K338 VanDerWaalsContact C-N 3.34Å; C336-K338 PolarHBondContact O-N 3.31Å; C336-L339 PolarHBondContact O-N 3.32Å; C336-L340 WeakPolarHBondContact O-CB 3.44Å; C336-L340 VanDerWaalsContact O-CG 3.31Å; C336-L340 WeakPolarHBondContact O-CG 3.46Å; C336-L340 PolarHBondContact O-N 3.48Å; C336-L359 PolarHBondContact SG-O 2.78Å; C336-F362 HydrophobicContact CB-CD1 3.97Å; C336-F362 HydrophobicContact CB-CE1 4.21Å; C336-Y363 HydrophobicContact CB-CD2 4.48Å
337	S	98.5	Very high	95.5	Very high	34 Å²	34	33.8 Å²	33.8	24%	0.238	18%	0.184	C	C	.	.	H	α-helix	trans	-57.8	-45.4	172.9	-165.3	0	0	0	0	112.1	H333 Y334 L335 L340 S341	H333-S337 PolarHBondContact O-N 2.79Å; Y334-S337 WeakPolarHBondContact O-CA 3.44Å; Y334-S337 WeakPolarHBondContact O-CB 3.42Å; Y334-S337 PolarHBondContact O-N 2.86Å; Y334-S337 VanDerWaalsContact O-N 3.1Å; L335-S337 VanDerWaalsContact C-N 3.32Å; L335-S337 PolarHBondContact O-N 2.82Å; S337-L340 PolarHBondContact O-N 3.23Å; S337-S341 PolarHBondContact O-N 3.41Å; S337-S341 VanDerWaalsContact O-N 3.13Å; S337-S341 PolarHBondContact O-OG 3.28Å; S337-S341 VanDerWaalsContact O-OG 3.07Å
338	K	98.4	Very high	93.7	Very high	22 Å²	22	36.7 Å²	36.7	10%	0.096	21%	0.214	C	C	.	.	H	α-helix	trans	-63.1	-49.8	175.9	-68.5	-53.5	-172.9	-172.5	0	111.9	W239 D303 Y334 L335 C336 L340 S341 M342	W239-K338 HydrophobicContact CB-CB 4.47Å; W239-K338 HydrophobicContact CB-CG 4.37Å; W239-K338 HydrophobicContact CD2-CB 4.23Å; W239-K338 HydrophobicContact CD2-CD 3.95Å; W239-K338 HydrophobicContact CD2-CG 3.95Å; W239-K338 HydrophobicContact CE3-CB 3.64Å; W239-K338 HydrophobicContact CE3-CD 3.76Å; W239-K338 HydrophobicContact CE3-CG 3.81Å; W239-K338 HydrophobicContact CG-CG 4.24Å; W239-K338 HydrophobicContact CH2-CD 4.13Å; W239-K338 HydrophobicContact CZ2-CD 4.34Å; W239-K338 HydrophobicContact CZ3-CB 4.2Å; W239-K338 HydrophobicContact CZ3-CD 3.84Å; W239-K338 HydrophobicContact CZ3-CG 4.35Å; D303-K338 WeakPolarHBondContact OD1-CE 3.42Å; D303-K338 IonicContact OD1-NZ 2.77Å; D303-K338 PolarHBondContact OD1-NZ 2.84Å; D303-K338 IonicContact OD2-NZ 3.22Å; D303-K338 PolarHBondContact OD2-NZ 2.77Å; Y334-K338 HydrophobicContact CD1-CG 4.34Å; Y334-K338 HydrophobicContact CE1-CG 3.73Å; Y334-K338 HydrophobicContact CE2-CD 4.41Å; Y334-K338 VanDerWaalsContact CE2-CE 3.41Å; Y334-K338 HydrophobicContact CE2-CG 4.16Å; Y334-K338 PolarHBondContact O-N 2.77Å; Y334-K338 WeakPolarHBondContact OH-CE 2.92Å; L335-K338 PolarHBondContact O-N 3.29Å; C336-K338 VanDerWaalsContact C-N 3.34Å; C336-K338 PolarHBondContact O-N 3.31Å; K338-L340 PolarHBondContact O-N 3.17Å; K338-S341 WeakPolarHBondContact CA-OG 3.21Å; K338-S341 PolarHBondContact O-N 3.11Å; K338-S341 PolarHBondContact O-OG 3.4Å; K338-M342 VanDerWaalsContact O-CG 3.29Å; K338-M342 WeakPolarHBondContact O-CG 3.23Å; K338-M342 PolarHBondContact O-N 3.36Å
339	L	98.1	Very high	92.8	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.01	24%	0.235	C	C	.	.	H	α-helix	trans	-58.6	-36.1	176.9	-70	171.1	0	0	0	112.1	L199 A212 L216 L335 C336 S341 M342 Y344	L199-L339 HydrophobicContact CD1-CD2 4.12Å; A212-L339 HydrophobicContact CB-CB 4.34Å; A212-L339 HydrophobicContact CB-CD2 4.07Å; L216-L339 HydrophobicContact CB-CD1 3.84Å; L216-L339 HydrophobicContact CD1-CD1 4.24Å; L216-L339 HydrophobicContact CG-CD1 4.44Å; L335-L339 WeakPolarHBondContact O-CB 3.23Å; L335-L339 VanDerWaalsContact O-CG 3.3Å; L335-L339 WeakPolarHBondContact O-CG 3.43Å; L335-L339 PolarHBondContact O-N 3.18Å; C336-L339 PolarHBondContact O-N 3.32Å; L339-S341 VanDerWaalsContact C-N 3.35Å; L339-M342 HydrophobicContact CD2-SD 4.01Å; L339-Y344 WeakPolarHBondContact O-CE2 3.42Å; L339-Y344 PolarHBondContact O-OH 2.73Å
340	L	97.6	Very high	92.1	Very high	39 Å²	39	49 Å²	49	20%	0.204	27%	0.273	C	S	.	.	H	α-helix	trans	-69.2	-30	175.9	-77.1	168.3	0	0	0	113.6	F209 C336 S337 K338 R356 L359 Y363	F209-L340 HydrophobicContact CE1-CD2 4.5Å; C336-L340 WeakPolarHBondContact O-CB 3.44Å; C336-L340 VanDerWaalsContact O-CG 3.31Å; C336-L340 WeakPolarHBondContact O-CG 3.46Å; C336-L340 PolarHBondContact O-N 3.48Å; S337-L340 PolarHBondContact O-N 3.23Å; K338-L340 PolarHBondContact O-N 3.17Å; L340-R356 HydrophobicContact CD2-CG 4.16Å; L340-L359 HydrophobicContact CD2-CB 3.75Å; L340-L359 HydrophobicContact CG-CB 4.23Å; L340-Y363 HydrophobicContact CD1-CG 4.18Å
341	S	96.5	Very high	91.5	Very high	79 Å²	79	50.5 Å²	50.5	55%	0.552	29%	0.292	S	S	*	.	H	α-helix	trans	-93.2	-17.8	-177.7	60.2	0	0	0	0	114.6	S337 K338 L339	S337-S341 PolarHBondContact O-N 3.41Å; S337-S341 VanDerWaalsContact O-N 3.13Å; S337-S341 PolarHBondContact O-OG 3.28Å; S337-S341 VanDerWaalsContact O-OG 3.07Å; K338-S341 WeakPolarHBondContact CA-OG 3.21Å; K338-S341 PolarHBondContact O-N 3.11Å; K338-S341 PolarHBondContact O-OG 3.4Å; L339-S341 VanDerWaalsContact C-N 3.35Å
342	M	95.3	Very high	91	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.049	30%	0.297	C	S	.	.	S	Bend	trans	-61.1	154.1	176	-77.9	172.4	78.3	0	0	113.3	L199 N203 L206 W239 K338 L339 Y344	L199-M342 HydrophobicContact CB-CE 4.48Å; L199-M342 WeakPolarHBondContact O-CE 3.22Å; N203-M342 HydrophobicContact CB-CE 4.38Å; L206-M342 HydrophobicContact CD1-CE 3.83Å; L206-M342 HydrophobicContact CG-CE 4.44Å; W239-M342 HydrophobicContact CE3-CG 4.31Å; W239-M342 HydrophobicContact CE3-SD 4.36Å; W239-M342 HydrophobicContact CZ3-CG 3.94Å; K338-M342 VanDerWaalsContact O-CG 3.29Å; K338-M342 WeakPolarHBondContact O-CG 3.23Å; K338-M342 PolarHBondContact O-N 3.36Å; L339-M342 HydrophobicContact CD2-SD 4.01Å; M342-Y344 HydrophobicContact CB-CE2 4.08Å; M342-Y344 WeakPolarHBondContact O-CD2 3.41Å; M342-Y344 VanDerWaalsContact O-CE2 3.27Å; M342-Y344 WeakPolarHBondContact O-CE2 3.43Å
343	K	95.2	Very high	90.7	Very high	154 Å²	154	57.4 Å²	57.4	67%	0.67	33%	0.325	S	S	*	.			trans	-87.1	145.1	170.7	-62.9	175.3	-175.7	170.6	0	110	N203 G204	N203-K343 PolarHBondContact OD1-N 3.08Å; G204-K343 VanDerWaalsContact CA-O 3.23Å; G204-K343 WeakPolarHBondContact CA-O 3.22Å; G204-K343 PolarHBondContact N-O 3.46Å
344	Y	94.8	Very high	90.5	Very high	27 Å²	27	60.2 Å²	60.2	11%	0.106	34%	0.34	C	S	.	.			trans	-128.3	149.1	-179.8	-63.6	-83.7	0	0	0	111.3	L206 S208 F209 A212 L339 M342 S346	L206-Y344 HydrophobicContact CB-CD1 3.77Å; L206-Y344 HydrophobicContact CB-CE1 3.86Å; L206-Y344 HydrophobicContact CD1-CE1 4.11Å; S208-Y344 VanDerWaalsContact C-CD1 3.48Å; F209-Y344 HydrophobicContact CD1-CD2 4.33Å; F209-Y344 AromaticContact CD1-CE2 3.74Å; F209-Y344 HydrophobicContact CD1-CE2 3.74Å; F209-Y344 HydrophobicContact CD2-CD2 4.22Å; F209-Y344 HydrophobicContact CD2-CE2 4.44Å; F209-Y344 HydrophobicContact CE1-CD2 4.02Å; F209-Y344 AromaticContact CE1-CE2 3.39Å; F209-Y344 HydrophobicContact CE1-CE2 3.39Å; F209-Y344 AromaticContact CE2-CD2 3.89Å; F209-Y344 HydrophobicContact CE2-CD2 3.89Å; F209-Y344 HydrophobicContact CE2-CE2 4.13Å; F209-Y344 HydrophobicContact CG-CD2 4.42Å; F209-Y344 HydrophobicContact CG-CE2 4.26Å; F209-Y344 AromaticContact CZ-CD2 3.79Å; F209-Y344 HydrophobicContact CZ-CD2 3.79Å; F209-Y344 AromaticContact CZ-CE2 3.6Å; F209-Y344 HydrophobicContact CZ-CE2 3.6Å; A212-Y344 HydrophobicContact CB-CE1 3.85Å; A212-Y344 WeakPolarHBondContact CB-OH 3.31Å; L339-Y344 WeakPolarHBondContact O-CE2 3.42Å; L339-Y344 PolarHBondContact O-OH 2.73Å; M342-Y344 HydrophobicContact CB-CE2 4.08Å; M342-Y344 WeakPolarHBondContact O-CD2 3.41Å; M342-Y344 VanDerWaalsContact O-CE2 3.27Å; M342-Y344 WeakPolarHBondContact O-CE2 3.43Å; Y344-S346 VanDerWaalsContact C-N 3.31Å; Y344-S346 PolarHBondContact O-N 3.14Å
345	K	92.8	Very high	90.3	Very high	157 Å²	157	60.4 Å²	60.4	68%	0.683	34%	0.342	S	S	*	.	S	Bend	trans	-60	-39.5	178.2	-72.7	176.3	170.8	150.5	0	112.8	T205 L206	T205-K345 VanDerWaalsContact O-CD 3.3Å; T205-K345 WeakPolarHBondContact O-CD 3.5Å; T205-K345 WeakPolarHBondContact O-CE 3.24Å; T205-K345 PolarHBondContact O-NZ 3.08Å; L206-K345 PolarHBondContact O-N 3.12Å
346	S	84.6	Confident	90.2	Very high	61 Å²	61	67 Å²	67	43%	0.427	37%	0.366	S	S	.	.			trans	-127.2	114.7	174.3	-178.7	0	0	0	0	110.3	A207 S208 Y344 G348	A207-S346 PolarHBondContact O-N 3.49Å; S208-S346 WeakPolarHBondContact CB-O 3.4Å; Y344-S346 VanDerWaalsContact C-N 3.31Å; Y344-S346 PolarHBondContact O-N 3.14Å; S346-G348 PolarHBondContact OG-N 3.28Å; S346-G348 PolarHBondContact OG-O 3.03Å
347	S	64.5	Low	90.1	Very high	99 Å²	99	71.2 Å²	71.2	69%	0.692	39%	0.387	S	S	*	.			trans	-92.2	-5.8	168	54.6	0	0	0	0	112.4
348	G	62	Low	90.1	Very high	61 Å²	61	72.1 Å²	72.1	63%	0.629	39%	0.387	S	S	*	.			trans	-104	111.2	-165.4	0	0	0	0	0	113.1	S346	S346-G348 PolarHBondContact OG-N 3.28Å; S346-G348 PolarHBondContact OG-O 3.03Å
349	G	79.9	Confident	90.1	Very high	43 Å²	43	71 Å²	71	44%	0.443	38%	0.382	S	S	.	.	S	Bend	trans	157.1	152.2	170.5	0	0	0	0	0	111.8	G351 G352 K353	G349-G351 VanDerWaalsContact C-N 3.27Å; G349-G351 PolarHBondContact O-N 2.83Å; G349-G352 PolarHBondContact O-N 3Å; G349-G352 VanDerWaalsContact O-N 3.13Å; G349-K353 PolarHBondContact O-N 3.3Å
350	R	83.9	Confident	90.1	Very high	216 Å²	216	72.7 Å²	72.7	82%	0.815	40%	0.396	S	S	*	.	H	α-helix	trans	-57.1	-41	179.9	-166	175	-170	166.4	1.6	112	K353 N354	R350-K353 PolarHBondContact O-N 3.33Å; R350-N354 VanDerWaalsContact O-CG 3.31Å; R350-N354 PolarHBondContact O-N 3.01Å; R350-N354 PolarHBondContact O-OD1 3.35Å
351	G	86.5	Confident	90.1	Very high	43 Å²	43	77.2 Å²	77.2	44%	0.443	41%	0.41	S	S	.	.	H	α-helix	trans	-63.8	-40	176.2	0	0	0	0	0	113.6	G349 A355	G349-G351 VanDerWaalsContact C-N 3.27Å; G349-G351 PolarHBondContact O-N 2.83Å; G351-A355 WeakPolarHBondContact O-CB 3.35Å; G351-A355 PolarHBondContact O-N 3.49Å
352	G	89.3	Confident	90.2	Very high	12 Å²	12	73.6 Å²	73.6	12%	0.124	39%	0.385	C	S	.	.	H	α-helix	trans	-67.5	-38.6	176.6	0	0	0	0	0	113	G349 R356	G349-G352 PolarHBondContact O-N 3Å; G349-G352 VanDerWaalsContact O-N 3.13Å; G352-R356 PolarHBondContact O-N 3.21Å
353	K	91.4	Very high	90.4	Very high	132 Å²	132	76.6 Å²	76.6	57%	0.574	40%	0.396	S	S	*	.	H	α-helix	trans	-64.3	-47.7	174.7	-175.1	177.2	172.7	-178.3	0	111.5	G349 R350 A355 R356 E357	G349-K353 PolarHBondContact O-N 3.3Å; R350-K353 PolarHBondContact O-N 3.33Å; K353-A355 PolarHBondContact O-N 2.87Å; K353-R356 PolarHBondContact O-N 2.97Å; K353-E357 WeakPolarHBondContact CE-OE1 3.22Å; K353-E357 WeakPolarHBondContact O-CG 3.33Å; K353-E357 PolarHBondContact O-N 2.9Å
354	N	94.6	Very high	90.5	Very high	71 Å²	71	74.6 Å²	74.6	38%	0.38	39%	0.393	S	S	.	.	H	α-helix	trans	-60.2	-45.8	177.2	-70.9	11.6	0	0	0	111.7	R350 R356 E357 E358	R350-N354 VanDerWaalsContact O-CG 3.31Å; R350-N354 PolarHBondContact O-N 3.01Å; R350-N354 PolarHBondContact O-OD1 3.35Å; N354-R356 VanDerWaalsContact C-N 3.28Å; N354-R356 PolarHBondContact O-N 3.34Å; N354-E357 PolarHBondContact O-N 2.94Å; N354-E357 VanDerWaalsContact O-N 3.13Å; N354-E358 WeakPolarHBondContact O-CG 3.44Å; N354-E358 PolarHBondContact O-N 3.15Å
355	A	95.9	Very high	90.6	Very high	4 Å²	4	76.5 Å²	76.5	3%	0.033	40%	0.404	C	S	.	.	H	α-helix	trans	-61.6	-36.8	178.2	0	0	0	0	0	112.3	F209 V210 G351 K353 E358 L359	F209-A355 HydrophobicContact CB-CB 4.01Å; V210-A355 HydrophobicContact CG2-CB 3.96Å; G351-A355 WeakPolarHBondContact O-CB 3.35Å; G351-A355 PolarHBondContact O-N 3.49Å; K353-A355 PolarHBondContact O-N 2.87Å; A355-E358 PolarHBondContact O-N 2.98Å; A355-L359 WeakPolarHBondContact O-CB 3.49Å; A355-L359 WeakPolarHBondContact O-CG 3.47Å; A355-L359 PolarHBondContact O-N 3.34Å
356	R	96.5	Very high	90.9	Very high	140 Å²	140	69 Å²	69	53%	0.528	37%	0.372	S	S	.	.	H	α-helix	trans	-65.6	-41.5	173.7	-172.8	-178.8	-179.3	-176.5	0.6	112.2	F209 L340 G352 K353 N354 E358 L359 A360	F209-R356 HydrophobicContact CB-CB 4.36Å; F209-R356 HydrophobicContact CD1-CB 4.11Å; F209-R356 HydrophobicContact CD1-CG 4.2Å; F209-R356 HydrophobicContact CD2-CB 4.02Å; F209-R356 HydrophobicContact CD2-CG 4.37Å; F209-R356 HydrophobicContact CE1-CB 4.44Å; F209-R356 HydrophobicContact CE1-CG 4.04Å; F209-R356 HydrophobicContact CE2-CB 4.35Å; F209-R356 HydrophobicContact CE2-CG 4.22Å; F209-R356 HydrophobicContact CG-CB 3.89Å; F209-R356 HydrophobicContact CG-CG 4.37Å; F209-R356 HydrophobicContact CZ-CG 4.05Å; L340-R356 HydrophobicContact CD2-CG 4.16Å; G352-R356 PolarHBondContact O-N 3.21Å; K353-R356 PolarHBondContact O-N 2.97Å; N354-R356 VanDerWaalsContact C-N 3.28Å; N354-R356 PolarHBondContact O-N 3.34Å; R356-E358 VanDerWaalsContact C-N 3.33Å; R356-L359 PolarHBondContact O-N 2.91Å; R356-A360 WeakPolarHBondContact O-CB 3.26Å; R356-A360 PolarHBondContact O-N 3.43Å
357	E	96.9	Very high	91.6	Very high	90 Å²	90	68.9 Å²	68.9	42%	0.421	37%	0.366	S	S	.	.	H	α-helix	trans	-66.9	-33	176.4	-71.5	170.5	-175.8	0	0	112.2	K353 N354 R361	K353-E357 WeakPolarHBondContact CE-OE1 3.22Å; K353-E357 WeakPolarHBondContact O-CG 3.33Å; K353-E357 PolarHBondContact O-N 2.9Å; N354-E357 PolarHBondContact O-N 2.94Å; N354-E357 VanDerWaalsContact O-N 3.13Å; E357-R361 WeakPolarHBondContact O-CG 3.36Å; E357-R361 PolarHBondContact O-N 3.02Å; E357-R361 VanDerWaalsContact O-N 3.09Å; E357-R361 PolarHBondContact O-NE 2.89Å
358	E	97.4	Very high	93.1	Very high	52 Å²	52	71 Å²	71	24%	0.243	37%	0.365	C	S	.	.	H	α-helix	trans	-69	-46	172.3	-73.6	168.4	-178.4	0	0	112.1	K213 N354 A355 R356 A360 R361 F362 M381	K213-E358 VanDerWaalsContact CD-OE2 3.27Å; K213-E358 WeakPolarHBondContact CD-OE2 3.37Å; K213-E358 WeakPolarHBondContact CE-OE2 3.14Å; K213-E358 IonicContact NZ-OE2 2.58Å; K213-E358 PolarHBondContact NZ-OE2 2.87Å; N354-E358 WeakPolarHBondContact O-CG 3.44Å; N354-E358 PolarHBondContact O-N 3.15Å; A355-E358 PolarHBondContact O-N 2.98Å; R356-E358 VanDerWaalsContact C-N 3.33Å; E358-A360 VanDerWaalsContact C-N 3.32Å; E358-A360 PolarHBondContact O-N 3Å; E358-R361 PolarHBondContact O-N 2.91Å; E358-F362 WeakPolarHBondContact O-CB 3.36Å; E358-F362 PolarHBondContact O-N 3.29Å; E358-M381 HydrophobicContact CB-CG 4.29Å; E358-M381 HydrophobicContact CB-SD 4.46Å
359	L	98.2	Very high	94.9	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	34%	0.341	C	S	.	.	H	α-helix	trans	-61.3	-40.5	174.3	-75.4	167.5	0	0	0	111.9	F209 A212 K213 L216 C336 L340 A355 R356 F362 Y363 M381	F209-L359 HydrophobicContact CD1-CD1 3.95Å; A212-L359 HydrophobicContact CB-CD1 3.99Å; K213-L359 HydrophobicContact CB-CD1 4.49Å; K213-L359 HydrophobicContact CB-CD2 4.48Å; K213-L359 HydrophobicContact CB-CG 4.41Å; L216-L359 HydrophobicContact CB-CD2 4.46Å; L216-L359 HydrophobicContact CD2-CD2 3.53Å; C336-L359 PolarHBondContact SG-O 2.78Å; L340-L359 HydrophobicContact CD2-CB 3.75Å; L340-L359 HydrophobicContact CG-CB 4.23Å; A355-L359 WeakPolarHBondContact O-CB 3.49Å; A355-L359 WeakPolarHBondContact O-CG 3.47Å; A355-L359 PolarHBondContact O-N 3.34Å; R356-L359 PolarHBondContact O-N 2.91Å; L359-F362 PolarHBondContact O-N 3.48Å; L359-Y363 WeakPolarHBondContact O-CB 3.22Å; L359-Y363 PolarHBondContact O-N 3.3Å; L359-M381 HydrophobicContact CD2-SD 4.14Å
360	A	98.3	Very high	95.7	Very high	36 Å²	36	70.7 Å²	70.7	30%	0.298	34%	0.342	S	S	.	.	H	α-helix	trans	-63.2	-44.3	176.3	0	0	0	0	0	111.7	R356 E358 Y363 D364	R356-A360 WeakPolarHBondContact O-CB 3.26Å; R356-A360 PolarHBondContact O-N 3.43Å; E358-A360 VanDerWaalsContact C-N 3.32Å; E358-A360 PolarHBondContact O-N 3Å; A360-Y363 WeakPolarHBondContact O-CB 3.1Å; A360-Y363 PolarHBondContact O-N 3.02Å; A360-D364 PolarHBondContact O-N 2.83Å
361	R	98.3	Very high	96.5	Very high	134 Å²	134	61.1 Å²	61.1	51%	0.506	31%	0.308	S	S	.	.	H	α-helix	trans	-63	-42.8	174.2	-76	-179.5	-73.2	153.1	-6.6	112.2	E357 E358 Y363 D364 D365	E357-R361 WeakPolarHBondContact O-CG 3.36Å; E357-R361 PolarHBondContact O-N 3.02Å; E357-R361 VanDerWaalsContact O-N 3.09Å; E357-R361 PolarHBondContact O-NE 2.89Å; E358-R361 PolarHBondContact O-N 2.91Å; R361-Y363 VanDerWaalsContact C-N 3.31Å; R361-Y363 PolarHBondContact O-N 2.86Å; R361-D364 PolarHBondContact O-N 3.48Å; R361-D365 WeakPolarHBondContact O-CB 3.34Å; R361-D365 PolarHBondContact O-N 3.21Å
362	F	98.5	Very high	97	Very high	3 Å²	3	59.1 Å²	59.1	1%	0.013	29%	0.287	C	S	.	.	H	α-helix	trans	-58.8	-44.7	174.3	179.3	-93	0	0	0	111.4	L216 L332 C336 E358 L359 D364 D365 V366 C379 M381 F382	L216-F362 HydrophobicContact CD1-CE1 4.49Å; L216-F362 HydrophobicContact CD2-CD1 3.69Å; L216-F362 HydrophobicContact CD2-CE1 3.7Å; L216-F362 HydrophobicContact CD2-CG 4.41Å; L216-F362 HydrophobicContact CD2-CZ 4.44Å; L216-F362 HydrophobicContact CG-CE1 4.34Å; L332-F362 HydrophobicContact CB-CE1 4.48Å; L332-F362 HydrophobicContact CB-CZ 4.42Å; C336-F362 HydrophobicContact CB-CD1 3.97Å; C336-F362 HydrophobicContact CB-CE1 4.21Å; E358-F362 WeakPolarHBondContact O-CB 3.36Å; E358-F362 PolarHBondContact O-N 3.29Å; L359-F362 PolarHBondContact O-N 3.48Å; F362-D364 VanDerWaalsContact C-N 3.33Å; F362-D364 PolarHBondContact O-N 3.44Å; F362-D365 PolarHBondContact O-N 3.18Å; F362-V366 HydrophobicContact CD1-CB 4.06Å; F362-V366 HydrophobicContact CD1-CG1 4.38Å; F362-V366 HydrophobicContact CD1-CG2 4.44Å; F362-V366 HydrophobicContact CD2-CB 4.42Å; F362-V366 HydrophobicContact CE1-CB 3.72Å; F362-V366 HydrophobicContact CE1-CG1 4.15Å; F362-V366 HydrophobicContact CE1-CG2 3.61Å; F362-V366 HydrophobicContact CE2-CB 4.12Å; F362-V366 HydrophobicContact CE2-CG2 3.95Å; F362-V366 HydrophobicContact CG-CB 4.42Å; F362-V366 HydrophobicContact CZ-CB 3.77Å; F362-V366 HydrophobicContact CZ-CG2 3.33Å; F362-V366 WeakPolarHBondContact O-CA 3.37Å; F362-V366 WeakPolarHBondContact O-CB 3.12Å; F362-V366 VanDerWaalsContact O-CG1 3.29Å; F362-V366 WeakPolarHBondContact O-CG1 3.19Å; F362-V366 PolarHBondContact O-N 2.76Å; F362-C379 HydrophobicContact CD2-CB 4.49Å; F362-M381 HydrophobicContact CB-CE 3.77Å; F362-M381 HydrophobicContact CB-SD 3.66Å; F362-M381 HydrophobicContact CD1-CE 4.07Å; F362-M381 HydrophobicContact CD2-CE 3.36Å; F362-M381 HydrophobicContact CD2-SD 4.32Å; F362-M381 HydrophobicContact CE2-CE 3.9Å; F362-M381 HydrophobicContact CG-CE 3.44Å; F362-M381 VanDerWaalsContact CG-CE 3.44Å; F362-M381 HydrophobicContact CG-SD 4.07Å; F362-M381 HydrophobicContact CZ-CE 4.43Å; F362-F382 HydrophobicContact CD2-CE2 4.41Å; F362-F382 HydrophobicContact CD2-CZ 4.3Å; F362-F382 AromaticContact CE2-CE2 3.8Å; F362-F382 HydrophobicContact CE2-CE2 3.8Å; F362-F382 AromaticContact CE2-CZ 3.73Å; F362-F382 HydrophobicContact CE2-CZ 3.73Å; F362-F382 HydrophobicContact CZ-CZ 4.25Å
363	Y	98.6	Very high	97.5	Very high	73 Å²	73	58.9 Å²	58.9	29%	0.286	28%	0.284	S	S	.	.	H	α-helix	trans	-57	-45.2	175.7	176.5	-92.6	0	0	0	112.1	H333 C336 L340 L359 A360 R361 D365	H333-Y363 AromaticContact CD2-CD2 3.65Å; H333-Y363 AromaticContact CD2-CE2 3.66Å; H333-Y363 PolarHBondContact CD2-O 2.82Å; H333-Y363 VanDerWaalsContact CD2-O 3.23Å; H333-Y363 AromaticContact CE1-CE2 3.46Å; H333-Y363 VanDerWaalsContact CE1-CE2 3.46Å; H333-Y363 WeakPolarHBondContact CE1-CE2 3.47Å; H333-Y363 AromaticContact CE1-CZ 3.65Å; H333-Y363 AromaticContact NE2-CD2 3.54Å; H333-Y363 AromaticContact NE2-CE1 3.86Å; H333-Y363 AromaticContact NE2-CE2 3.12Å; H333-Y363 WeakPolarHBondContact NE2-CE2 3.39Å; H333-Y363 AromaticContact NE2-CZ 3.31Å; H333-Y363 VanDerWaalsContact NE2-CZ 3.31Å; H333-Y363 PolarHBondContact NE2-O 2.75Å; C336-Y363 HydrophobicContact CB-CD2 4.48Å; L340-Y363 HydrophobicContact CD1-CG 4.18Å; L359-Y363 WeakPolarHBondContact O-CB 3.22Å; L359-Y363 PolarHBondContact O-N 3.3Å; A360-Y363 WeakPolarHBondContact O-CB 3.1Å; A360-Y363 PolarHBondContact O-N 3.02Å; R361-Y363 VanDerWaalsContact C-N 3.31Å; R361-Y363 PolarHBondContact O-N 2.86Å; Y363-D365 VanDerWaalsContact C-N 3.32Å; Y363-D365 PolarHBondContact O-N 2.87Å
364	D	98.3	Very high	97.8	Very high	113 Å²	113	54.3 Å²	54.3	60%	0.604	27%	0.265	S	S	*	.	H	α-helix	trans	-67.1	-32.7	180	-65.1	-27.6	0	0	0	112.7	A360 R361 F362	A360-D364 PolarHBondContact O-N 2.83Å; R361-D364 PolarHBondContact O-N 3.48Å; F362-D364 VanDerWaalsContact C-N 3.33Å; F362-D364 PolarHBondContact O-N 3.44Å
365	D	97.3	Very high	98	Very high	66 Å²	66	50.9 Å²	50.9	35%	0.353	25%	0.247	S	C	.	.	H	α-helix	trans	-100.6	-23.2	-171.8	-67.5	-30.5	0	0	0	114.5	R361 F362 Y363 L367 Q368	R361-D365 WeakPolarHBondContact O-CB 3.34Å; R361-D365 PolarHBondContact O-N 3.21Å; F362-D365 PolarHBondContact O-N 3.18Å; Y363-D365 VanDerWaalsContact C-N 3.32Å; Y363-D365 PolarHBondContact O-N 2.87Å; D365-L367 VanDerWaalsContact C-N 3.26Å; D365-L367 PolarHBondContact O-N 3.33Å; D365-L367 VanDerWaalsContact O-N 3.1Å; D365-Q368 VanDerWaalsContact O-CB 3.22Å; D365-Q368 WeakPolarHBondContact O-CB 3.48Å; D365-Q368 WeakPolarHBondContact O-CG 3.08Å; D365-Q368 PolarHBondContact O-N 2.73Å; D365-Q368 PolarHBondContact OD1-NE2 3.49Å
366	V	98.4	Very high	98.1	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-59.5	-33	-166	60.7	0	0	0	0	113.6	V329 L332 H333 F362 Q368 Y369	V329-V366 HydrophobicContact CG1-CG2 3.86Å; V329-V366 WeakPolarHBondContact CG1-O 3.3Å; L332-V366 HydrophobicContact CB-CG2 4.3Å; H333-V366 HydrophobicContact CB-CG1 3.64Å; H333-V366 VanDerWaalsContact CD2-CG1 3.47Å; H333-V366 WeakPolarHBondContact CD2-CG1 3.34Å; F362-V366 HydrophobicContact CD1-CB 4.06Å; F362-V366 HydrophobicContact CD1-CG1 4.38Å; F362-V366 HydrophobicContact CD1-CG2 4.44Å; F362-V366 HydrophobicContact CD2-CB 4.42Å; F362-V366 HydrophobicContact CE1-CB 3.72Å; F362-V366 HydrophobicContact CE1-CG1 4.15Å; F362-V366 HydrophobicContact CE1-CG2 3.61Å; F362-V366 HydrophobicContact CE2-CB 4.12Å; F362-V366 HydrophobicContact CE2-CG2 3.95Å; F362-V366 HydrophobicContact CG-CB 4.42Å; F362-V366 HydrophobicContact CZ-CB 3.77Å; F362-V366 HydrophobicContact CZ-CG2 3.33Å; F362-V366 WeakPolarHBondContact O-CA 3.37Å; F362-V366 WeakPolarHBondContact O-CB 3.12Å; F362-V366 VanDerWaalsContact O-CG1 3.29Å; F362-V366 WeakPolarHBondContact O-CG1 3.19Å; F362-V366 PolarHBondContact O-N 2.76Å; V366-Q368 PolarHBondContact O-N 2.94Å; V366-Q368 VanDerWaalsContact O-N 3.12Å; V366-Y369 HydrophobicContact CG2-CD2 4.45Å; V366-Y369 VanDerWaalsContact O-CD2 3.31Å; V366-Y369 WeakPolarHBondContact O-CD2 3.38Å; V366-Y369 PolarHBondContact O-N 2.78Å; V366-Y369 VanDerWaalsContact O-N 3.11Å
367	L	98.3	Very high	98.2	Very high	58 Å²	58	48.8 Å²	48.8	30%	0.304	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-68.6	-9.2	179	-63	179.6	0	0	0	113.8	R326 L330 H333 D365	R326-L367 PolarHBondContact NH1-O 3.39Å; R326-L367 PolarHBondContact NH2-O 3.31Å; L330-L367 HydrophobicContact CD2-CD2 3.9Å; H333-L367 HydrophobicContact CB-CD2 3.79Å; H333-L367 HydrophobicContact CB-CG 4.33Å; D365-L367 VanDerWaalsContact C-N 3.26Å; D365-L367 PolarHBondContact O-N 3.33Å; D365-L367 VanDerWaalsContact O-N 3.1Å
368	Q	97.8	Very high	98.2	Very high	144 Å²	144	49.1 Å²	49.1	67%	0.673	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-78.8	-21.9	174	-57.9	174.1	31.2	0	0	112.2	D365 V366	D365-Q368 VanDerWaalsContact O-CB 3.22Å; D365-Q368 WeakPolarHBondContact O-CB 3.48Å; D365-Q368 WeakPolarHBondContact O-CG 3.08Å; D365-Q368 PolarHBondContact O-N 2.73Å; D365-Q368 PolarHBondContact OD1-NE2 3.49Å; V366-Q368 PolarHBondContact O-N 2.94Å; V366-Q368 VanDerWaalsContact O-N 3.12Å
369	Y	98.4	Very high	98.1	Very high	31 Å²	31	47 Å²	47	12%	0.122	24%	0.238	C	C	.	.	S	Bend	trans	-78	154.3	176.9	-56.8	-70.9	0	0	0	111.8	R326 V366 D374 A375 N378 C379	R326-Y369 PolarHBondContact NH1-O 2.78Å; V366-Y369 HydrophobicContact CG2-CD2 4.45Å; V366-Y369 VanDerWaalsContact O-CD2 3.31Å; V366-Y369 WeakPolarHBondContact O-CD2 3.38Å; V366-Y369 PolarHBondContact O-N 2.78Å; V366-Y369 VanDerWaalsContact O-N 3.11Å; Y369-D374 WeakPolarHBondContact CA-OD2 3.47Å; Y369-A375 HydrophobicContact CD1-CB 4.47Å; Y369-A375 HydrophobicContact CD2-CB 3.68Å; Y369-A375 HydrophobicContact CE2-CB 4.33Å; Y369-A375 HydrophobicContact CG-CB 3.8Å; Y369-N378 HydrophobicContact CD1-CB 4.36Å; Y369-N378 HydrophobicContact CE1-CB 3.77Å; Y369-C379 HydrophobicContact CE2-CB 4.14Å; Y369-C379 WeakPolarHBondContact OH-CA 3.47Å; Y369-C379 WeakPolarHBondContact OH-CB 3.31Å
370	S	98.2	Very high	97.9	Very high	67 Å²	67	51.7 Å²	51.7	47%	0.469	27%	0.269	S	S	.	.	S	Bend	trans	-89.7	-24.3	-178.8	57.4	0	0	0	0	113.8	R326 D374	R326-S370 WeakPolarHBondContact CA-O 3.36Å; R326-S370 PolarHBondContact N-O 3.15Å; S370-D374 PolarHBondContact N-OD2 2.87Å; S370-D374 PolarHBondContact OG-OD2 3.31Å
371	S	98.8	Very high	97.8	Very high	15 Å²	15	50.4 Å²	50.4	11%	0.105	26%	0.257	C	S	.	.	S	Bend	trans	-155.6	170.6	-177.8	66.1	0	0	0	0	111.7	E227 V329 T373 D374 A375	E227-S371 WeakPolarHBondContact OE2-CB 3.34Å; V329-S371 VanDerWaalsContact CG2-CA 3.47Å; V329-S371 WeakPolarHBondContact CG2-O 3.11Å; S371-T373 VanDerWaalsContact C-N 3.25Å; S371-T373 PolarHBondContact O-N 3.02Å; S371-T373 PolarHBondContact OG-N 2.99Å; S371-D374 PolarHBondContact O-N 3.11Å; S371-D374 WeakPolarHBondContact OG-CB 3.42Å; S371-D374 PolarHBondContact OG-N 3.5Å; S371-A375 PolarHBondContact O-N 3Å
372	A	98.8	Very high	97.5	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.9	-33.7	171.1	0	0	0	0	0	111.5	T220 L223 E227 N328 L332 A375 L376	T220-A372 HydrophobicContact CG2-CB 4.45Å; L223-A372 HydrophobicContact CB-CB 3.62Å; L223-A372 HydrophobicContact CD1-CB 4.48Å; E227-A372 WeakPolarHBondContact OE1-CB 3.42Å; E227-A372 PolarHBondContact OE1-N 3.21Å; E227-A372 PolarHBondContact OE2-N 2.77Å; E227-A372 VanDerWaalsContact OE2-N 3.13Å; N328-A372 HydrophobicContact CB-CB 4.32Å; L332-A372 HydrophobicContact CD1-CB 3.88Å; A372-A375 PolarHBondContact O-N 3.18Å; A372-L376 WeakPolarHBondContact O-CB 3.45Å; A372-L376 PolarHBondContact O-N 2.76Å
373	T	98.6	Very high	96.8	Very high	8 Å²	8	54.5 Å²	54.5	5%	0.049	27%	0.273	C	S	.	.	H	α-helix	trans	-60.7	-48.5	173.5	-55.2	0	0	0	0	111.6	A224 E227 Q228 S371 L376 Q377	A224-T373 WeakPolarHBondContact CA-OG1 3.43Å; A224-T373 PolarHBondContact O-OG1 2.99Å; E227-T373 WeakPolarHBondContact OE2-CB 3.22Å; E227-T373 PolarHBondContact OE2-N 3.08Å; E227-T373 PolarHBondContact OE2-OG1 3.34Å; Q228-T373 HydrophobicContact CG-CG2 4.18Å; S371-T373 VanDerWaalsContact C-N 3.25Å; S371-T373 PolarHBondContact O-N 3.02Å; S371-T373 PolarHBondContact OG-N 2.99Å; T373-L376 PolarHBondContact O-N 3.21Å; T373-Q377 WeakPolarHBondContact O-CG 3.2Å; T373-Q377 PolarHBondContact O-N 3.07Å
374	D	98.6	Very high	96.7	Very high	35 Å²	35	53.6 Å²	53.6	19%	0.187	27%	0.272	C	S	.	.	H	α-helix	trans	-61.2	-45.3	176.4	-178.7	15.8	0	0	0	111.1	Y369 S370 S371 L376 Q377 N378	Y369-D374 WeakPolarHBondContact CA-OD2 3.47Å; S370-D374 PolarHBondContact N-OD2 2.87Å; S370-D374 PolarHBondContact OG-OD2 3.31Å; S371-D374 PolarHBondContact O-N 3.11Å; S371-D374 WeakPolarHBondContact OG-CB 3.42Å; S371-D374 PolarHBondContact OG-N 3.5Å; D374-L376 PolarHBondContact O-N 3.25Å; D374-Q377 PolarHBondContact O-N 3.22Å; D374-N378 WeakPolarHBondContact O-CB 3.32Å; D374-N378 PolarHBondContact O-N 3.45Å; D374-N378 PolarHBondContact O-ND2 3.12Å; D374-N378 PolarHBondContact OD1-ND2 3Å
375	A	98.5	Very high	96.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-42.3	175.4	0	0	0	0	0	112.6	T220 Y369 S371 A372 C379 F382	T220-A375 HydrophobicContact CG2-CB 4.45Å; Y369-A375 HydrophobicContact CD1-CB 4.47Å; Y369-A375 HydrophobicContact CD2-CB 3.68Å; Y369-A375 HydrophobicContact CE2-CB 4.33Å; Y369-A375 HydrophobicContact CG-CB 3.8Å; S371-A375 PolarHBondContact O-N 3Å; A372-A375 PolarHBondContact O-N 3.18Å; A375-C379 WeakPolarHBondContact O-CB 3.41Å; A375-C379 PolarHBondContact O-N 2.85Å; A375-F382 WeakPolarHBondContact O-CD2 3.02Å; A375-F382 WeakPolarHBondContact O-CE2 2.92Å
376	L	98.4	Very high	96.6	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.031	25%	0.249	C	C	.	.	H	α-helix	trans	-62.6	-44.8	178.2	-172.9	67.3	0	0	0	111.6	T220 A221 A224 F254 L256 A372 T373 D374 F382 W383	T220-L376 HydrophobicContact CG2-CB 4.06Å; T220-L376 HydrophobicContact CG2-CD1 4.3Å; A221-L376 HydrophobicContact CB-CD1 4.22Å; A221-L376 HydrophobicContact CB-CD2 4.28Å; A224-L376 HydrophobicContact CB-CB 4.4Å; A224-L376 HydrophobicContact CB-CD2 3.77Å; F254-L376 HydrophobicContact CE2-CD2 3.96Å; F254-L376 HydrophobicContact CZ-CD2 3.95Å; L256-L376 HydrophobicContact CD2-CD2 4.18Å; A372-L376 WeakPolarHBondContact O-CB 3.45Å; A372-L376 PolarHBondContact O-N 2.76Å; T373-L376 PolarHBondContact O-N 3.21Å; D374-L376 PolarHBondContact O-N 3.25Å; L376-F382 HydrophobicContact CD1-CB 4.44Å; L376-F382 HydrophobicContact CD1-CD2 4.22Å; L376-F382 HydrophobicContact CD1-CG 4.21Å; L376-W383 PolarHBondContact O-NE1 3.45Å
377	Q	96.9	Very high	96.5	Very high	94 Å²	94	52.5 Å²	52.5	44%	0.439	26%	0.264	S	S	.	.	H	α-helix	trans	-74.5	-37.5	-176	-71	176.4	-14.5	0	0	112.6	T373 D374 W383	T373-Q377 WeakPolarHBondContact O-CG 3.2Å; T373-Q377 PolarHBondContact O-N 3.07Å; D374-Q377 PolarHBondContact O-N 3.22Å; Q377-W383 PolarHBondContact O-NE1 2.94Å; Q377-W383 VanDerWaalsContact O-NE1 3.13Å
378	N	97.5	Very high	96.4	Very high	97 Å²	97	52.1 Å²	52.1	52%	0.519	26%	0.261	S	S	.	.	H	α-helix	trans	-108.2	-14.8	-167.5	-64.5	-58.5	0	0	0	114.5	Y369 D374 P380	Y369-N378 HydrophobicContact CD1-CB 4.36Å; Y369-N378 HydrophobicContact CE1-CB 3.77Å; D374-N378 WeakPolarHBondContact O-CB 3.32Å; D374-N378 PolarHBondContact O-N 3.45Å; D374-N378 PolarHBondContact O-ND2 3.12Å; D374-N378 PolarHBondContact OD1-ND2 3Å; N378-P380 WeakPolarHBondContact O-CD 3.34Å
379	C	96.8	Very high	96.3	Very high	6 Å²	6	46 Å²	46	4%	0.041	23%	0.234	C	C	.	.			trans	-80.5	123.8	179.2	-173.2	0	0	0	0	112.4	F362 Y369 A375 M381 F382	F362-C379 HydrophobicContact CD2-CB 4.49Å; Y369-C379 HydrophobicContact CE2-CB 4.14Å; Y369-C379 WeakPolarHBondContact OH-CA 3.47Å; Y369-C379 WeakPolarHBondContact OH-CB 3.31Å; A375-C379 WeakPolarHBondContact O-CB 3.41Å; A375-C379 PolarHBondContact O-N 2.85Å; C379-M381 PolarHBondContact O-N 3.12Å; C379-M381 PolarHBondContact SG-N 3.3Å; C379-F382 HydrophobicContact CB-CD2 3.8Å; C379-F382 HydrophobicContact CB-CE2 3.93Å; C379-F382 PolarHBondContact O-N 3.13Å
380	P	94	Very high	96.1	Very high	99 Å²	99	47.1 Å²	47.1	64%	0.643	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-61.5	-14.1	177.7	-23.3	33.8	0	0	0	114.8	N378 F382	N378-P380 WeakPolarHBondContact O-CD 3.34Å; P380-F382 PolarHBondContact O-N 3.42Å
381	M	94.7	Very high	96	Very high	10 Å²	10	45.5 Å²	45.5	5%	0.049	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-64.1	-27.9	177.8	-177.2	173.7	70.9	0	0	112.2	K213 L216 E358 L359 F362 C379	K213-M381 HydrophobicContact CD-CG 4.2Å; K213-M381 VanDerWaalsContact CE-CG 3.5Å; K213-M381 WeakPolarHBondContact CE-O 3.42Å; K213-M381 HydrophobicContact CG-CG 4.3Å; K213-M381 HydrophobicContact CG-SD 4.3Å; K213-M381 PolarHBondContact NZ-O 3.05Å; L216-M381 HydrophobicContact CD2-CE 3.81Å; L216-M381 HydrophobicContact CG-CE 4.4Å; E358-M381 HydrophobicContact CB-CG 4.29Å; E358-M381 HydrophobicContact CB-SD 4.46Å; L359-M381 HydrophobicContact CD2-SD 4.14Å; F362-M381 HydrophobicContact CB-CE 3.77Å; F362-M381 HydrophobicContact CB-SD 3.66Å; F362-M381 HydrophobicContact CD1-CE 4.07Å; F362-M381 HydrophobicContact CD2-CE 3.36Å; F362-M381 HydrophobicContact CD2-SD 4.32Å; F362-M381 HydrophobicContact CE2-CE 3.9Å; F362-M381 HydrophobicContact CG-CE 3.44Å; F362-M381 VanDerWaalsContact CG-CE 3.44Å; F362-M381 HydrophobicContact CG-SD 4.07Å; F362-M381 HydrophobicContact CZ-CE 4.43Å; C379-M381 PolarHBondContact O-N 3.12Å; C379-M381 PolarHBondContact SG-N 3.3Å
382	F	93.2	Very high	95.7	Very high	16 Å²	16	48.1 Å²	48.1	7%	0.07	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-93.9	-2.9	-173.8	-56.2	-53.7	0	0	0	114.3	H217 T220 F362 A375 L376 C379 P380	H217-F382 HydrophobicContact CB-CD1 3.85Å; H217-F382 HydrophobicContact CB-CE1 3.84Å; H217-F382 AromaticContact CD2-CD1 3.46Å; H217-F382 VanDerWaalsContact CD2-CD1 3.46Å; H217-F382 WeakPolarHBondContact CD2-CD1 3.41Å; H217-F382 AromaticContact CG-CD1 3.48Å; H217-F382 VanDerWaalsContact CG-CD1 3.48Å; H217-F382 AromaticContact CG-CE1 3.96Å; H217-F382 AromaticContact ND1-CD1 3.86Å; H217-F382 AromaticContact NE2-CD1 3.88Å; T220-F382 HydrophobicContact CG2-CE2 3.9Å; T220-F382 HydrophobicContact CG2-CZ 3.88Å; F362-F382 HydrophobicContact CD2-CE2 4.41Å; F362-F382 HydrophobicContact CD2-CZ 4.3Å; F362-F382 AromaticContact CE2-CE2 3.8Å; F362-F382 HydrophobicContact CE2-CE2 3.8Å; F362-F382 AromaticContact CE2-CZ 3.73Å; F362-F382 HydrophobicContact CE2-CZ 3.73Å; F362-F382 HydrophobicContact CZ-CZ 4.25Å; A375-F382 WeakPolarHBondContact O-CD2 3.02Å; A375-F382 WeakPolarHBondContact O-CE2 2.92Å; L376-F382 HydrophobicContact CD1-CB 4.44Å; L376-F382 HydrophobicContact CD1-CD2 4.22Å; L376-F382 HydrophobicContact CD1-CG 4.21Å; C379-F382 HydrophobicContact CB-CD2 3.8Å; C379-F382 HydrophobicContact CB-CE2 3.93Å; C379-F382 PolarHBondContact O-N 3.13Å; P380-F382 PolarHBondContact O-N 3.42Å
383	W	82.7	Confident	95.4	Very high	206 Å²	206	52.5 Å²	52.5	78%	0.78	26%	0.255	S	S	*	.			trans	-123.7	0	-172.8	-57.4	104.5	0	0	0	114.5	L376 Q377	L376-W383 PolarHBondContact O-NE1 3.45Å; Q377-W383 PolarHBondContact O-NE1 2.94Å; Q377-W383 VanDerWaalsContact O-NE1 3.13Å

Retrieved 383 of 383 residues in 540.2 ms (Link to these results)

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