A0A087YB51_POEFO Loading...

peptide chain release factor N(5)-glutamine methyltransferase

AlphaFold DB , UniProt , Accession A0A087YB51, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 348 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	30	Very low	29.5	Very low	239 Å²	239	170.6 Å²	170.6	100%	1.177	82%	0.823	S	S	*	*				0	46.7	0	-152	-177	-119.7	0	0	111.7
2	W	25.7	Very low	29.2	Very low	250 Å²	250	174 Å²	174	95%	0.947	82%	0.821	S	S	*	*			trans	-141.4	65.8	-178.4	-89	69.7	0	0	0	109.8
3	W	29	Very low	28.8	Very low	154 Å²	154	170.4 Å²	170.4	58%	0.583	82%	0.824	S	S	*	*			trans	-136.3	65.6	162.4	-77.4	93.8	0	0	0	107.7	W121	W3-W121 HydrophobicContact CH2-CH2 4.47Å; W3-W121 HydrophobicContact CH2-CZ2 4.41Å; W3-W121 HydrophobicContact CZ2-CH2 4.36Å; W3-W121 HydrophobicContact CZ2-CZ2 4.26Å
4	K	33.7	Very low	28.6	Very low	175 Å²	175	172.6 Å²	172.6	76%	0.761	82%	0.822	S	S	*	*			trans	-134	88.1	165.1	-78.7	-168.1	178.8	-176.1	0	107.5
5	R	33.3	Very low	28.6	Very low	235 Å²	235	172.9 Å²	172.9	89%	0.887	83%	0.828	S	S	*	*			trans	147.5	103.5	151.3	-83.9	159.8	165.6	-166.2	-5.1	109.9
6	T	30.6	Very low	28.4	Very low	131 Å²	131	166.7 Å²	166.7	80%	0.804	82%	0.824	S	S	*	*				166.8	82.9	112.1	35.5	0	0	0	0	110.1
7	L	30.2	Very low	28.3	Very low	170 Å²	170	171.6 Å²	171.6	89%	0.89	83%	0.831	S	S	*	*			trans	-130.3	86.4	157.4	-75.9	172.4	0	0	0	108.3
8	S	29.9	Very low	28.4	Very low	109 Å²	109	176.1 Å²	176.1	76%	0.762	84%	0.838	S	S	*	*			trans	-153.3	94.2	162.9	172.3	0	0	0	0	107.1
9	S	27.3	Very low	28.4	Very low	98 Å²	98	179.8 Å²	179.8	69%	0.685	84%	0.843	S	S	*	*			trans	-144.4	93.6	152.6	-149.2	0	0	0	0	108.3	Y11	S9-Y11 PolarHBondContact O-N 3.47Å
10	S	27.5	Very low	28.6	Very low	105 Å²	105	177.2 Å²	177.2	73%	0.734	85%	0.845	S	S	*	*			trans	-75.3	106.9	175.5	-32.5	0	0	0	0	108	R12	S10-R12 PolarHBondContact O-N 2.79Å; S10-R12 VanDerWaalsContact O-N 3.17Å
11	Y	26.9	Very low	28.6	Very low	211 Å²	211	171.9 Å²	171.9	83%	0.827	84%	0.838	S	S	*	*			trans	-76.4	103.9	169.4	-78.5	-84.2	0	0	0	109.2	S9 C13	S9-Y11 PolarHBondContact O-N 3.47Å; Y11-C13 PolarHBondContact O-N 3.17Å
12	R	25.9	Very low	28.7	Very low	211 Å²	211	165.7 Å²	165.7	80%	0.796	82%	0.824	S	S	*	*			trans	-65	116.4	168.2	-89.8	-176.8	-179.6	-160.6	-0.8	109.8	S10 Y14	S10-R12 PolarHBondContact O-N 2.79Å; S10-R12 VanDerWaalsContact O-N 3.17Å; R12-Y14 PolarHBondContact O-N 2.59Å
13	C	24.1	Very low	28.9	Very low	127 Å²	127	163 Å²	163	86%	0.858	82%	0.819	S	S	*	*			trans	-65.3	112	162.9	-88.5	0	0	0	0	110.3	Y11	Y11-C13 PolarHBondContact O-N 3.17Å
14	Y	27	Very low	28.8	Very low	202 Å²	202	163.2 Å²	163.2	79%	0.792	83%	0.83	S	S	*	*			trans	-88.1	110	165.1	-92.8	-88	0	0	0	109.8	R12 G16	R12-Y14 PolarHBondContact O-N 2.59Å; Y14-G16 PolarHBondContact O-N 2.78Å
15	L	27.5	Very low	28.5	Very low	176 Å²	176	166.6 Å²	166.6	92%	0.921	84%	0.838	S	S	*	*			trans	-74.8	100.6	167.9	-83.4	156.1	0	0	0	109.8
16	G	26.1	Very low	28.1	Very low	74 Å²	74	166.3 Å²	166.3	76%	0.763	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-97.3	125.1	171.3	0	0	0	0	0	112	Y14	Y14-G16 PolarHBondContact O-N 2.78Å
17	R	26.9	Very low	28	Very low	250 Å²	250	165.7 Å²	165.7	94%	0.943	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-58	145.7	-177.8	-75.5	177.5	171.4	-161.8	-2.7	114.3
18	R	29.7	Very low	28	Very low	252 Å²	252	165.2 Å²	165.2	95%	0.951	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-51.7	135.6	172.2	-74.2	177.3	169.8	-177.9	-3.1	113.4
19	R	28.4	Very low	28.1	Very low	248 Å²	248	166 Å²	166	94%	0.936	84%	0.835	S	S	*	*			trans	-141.9	134.3	141.7	-99.1	-175.1	172.8	-178.9	-2.7	110.4
20	S	33	Very low	28.7	Very low	127 Å²	127	172.6 Å²	172.6	89%	0.888	85%	0.845	S	S	*	*			trans	-62.1	133.1	-177.9	43.6	0	0	0	0	113.5
21	G	28.2	Very low	29.4	Very low	66 Å²	66	171.7 Å²	171.7	68%	0.68	84%	0.844	S	S	*	*			trans	-173.4	119.6	168.2	0	0	0	0	0	109.8	K23	G21-K23 PolarHBondContact O-N 2.84Å
22	A	31.2	Very low	30.3	Very low	109 Å²	109	167.3 Å²	167.3	90%	0.901	84%	0.839	S	S	*	*			trans	-54.3	119.6	-178.3	0	0	0	0	0	111.1
23	K	29.6	Very low	31.8	Very low	192 Å²	192	161.8 Å²	161.8	84%	0.835	83%	0.832	S	S	*	*			trans	-103.2	112.9	172.9	-82	-175.8	178.6	178.2	0	109.5	G21 W25	G21-K23 PolarHBondContact O-N 2.84Å; K23-W25 PolarHBondContact O-N 3.49Å
24	I	28.4	Very low	34.1	Very low	159 Å²	159	159.4 Å²	159.4	82%	0.815	82%	0.817	S	S	*	*			trans	-49.2	121	163.4	-63.6	159.1	0	0	0	107.8	R26	I24-R26 VanDerWaalsContact C-N 3.29Å; I24-R26 PolarHBondContact O-N 2.92Å
25	W	26.4	Very low	36.7	Very low	247 Å²	247	151.7 Å²	151.7	94%	0.936	79%	0.794	S	S	*	*			trans	-68.6	88.8	173.1	-75.7	78	0	0	0	108.7	K23 C27	K23-W25 PolarHBondContact O-N 3.49Å; W25-C27 PolarHBondContact O-N 3.36Å; W25-C27 VanDerWaalsContact O-N 3.17Å
26	R	24.9	Very low	39.5	Very low	228 Å²	228	144.3 Å²	144.3	86%	0.86	76%	0.757	S	S	*	*			trans	-69.1	107.1	157.7	-92.2	-176.7	169.8	-162.2	-2.9	106.5	I24 L28	I24-R26 VanDerWaalsContact C-N 3.29Å; I24-R26 PolarHBondContact O-N 2.92Å; R26-L28 VanDerWaalsContact C-N 3.26Å; R26-L28 PolarHBondContact O-N 3.25Å
27	C	27.9	Very low	42.6	Very low	119 Å²	119	145 Å²	145	80%	0.804	76%	0.756	S	S	*	*			trans	-59.1	94.9	164.6	-160.9	0	0	0	0	107	W25 T29	W25-C27 PolarHBondContact O-N 3.36Å; W25-C27 VanDerWaalsContact O-N 3.17Å; C27-T29 VanDerWaalsContact C-N 3.28Å; C27-T29 PolarHBondContact O-N 2.94Å
28	L	31.1	Very low	45.6	Very low	159 Å²	159	137.2 Å²	137.2	83%	0.832	73%	0.732	S	S	*	*			trans	-67.9	99	163.6	-79.1	160	0	0	0	104.8	R26 R30	R26-L28 VanDerWaalsContact C-N 3.26Å; R26-L28 PolarHBondContact O-N 3.25Å; L28-R30 PolarHBondContact O-N 3.38Å
29	T	32.6	Very low	48.5	Very low	125 Å²	125	127.2 Å²	127.2	77%	0.767	70%	0.7	S	S	*	*			trans	-46.8	113	162.2	42	0	0	0	0	107	C27 A31	C27-T29 VanDerWaalsContact C-N 3.28Å; C27-T29 PolarHBondContact O-N 2.94Å; T29-A31 PolarHBondContact O-N 3.08Å
30	R	39.3	Very low	51	Low	237 Å²	237	121.1 Å²	121.1	89%	0.894	70%	0.703	S	S	*	*			trans	-46.1	113.6	168	-89.2	178.1	170.5	174.2	-3.2	106.3	L28 T32	L28-R30 PolarHBondContact O-N 3.38Å; R30-T32 PolarHBondContact O-N 3.23Å
31	A	42.4	Very low	53.6	Low	87 Å²	87	117.4 Å²	117.4	72%	0.719	68%	0.684	S	S	*	*			trans	-53.1	115.9	167.7	0	0	0	0	0	105.3	T29 C33	T29-A31 PolarHBondContact O-N 3.08Å; A31-C33 PolarHBondContact O-N 3.19Å
32	T	46.7	Very low	56.7	Low	119 Å²	119	120 Å²	120	73%	0.73	68%	0.678	S	S	*	*			trans	-55.8	113.2	174.6	41.6	0	0	0	0	106.3	R30 S34	R30-T32 PolarHBondContact O-N 3.23Å; T32-S34 PolarHBondContact O-N 2.9Å; T32-S34 PolarHBondContact O-OG 3.46Å
33	C	56.7	Low	59.8	Low	94 Å²	94	115.8 Å²	115.8	64%	0.635	64%	0.641	S	S	*	*			trans	-60.7	77.2	174.1	-64.8	0	0	0	0	108.3	A31 N59	A31-C33 PolarHBondContact O-N 3.19Å; C33-N59 PolarHBondContact SG-OD1 3.38Å
34	S	72.3	Confident	63	Low	78 Å²	78	107.7 Å²	107.7	55%	0.545	61%	0.607	S	S	.	*			trans	-104.2	132.2	-178.4	45.3	0	0	0	0	106.3	T32	T32-S34 PolarHBondContact O-N 2.9Å; T32-S34 PolarHBondContact O-OG 3.46Å
35	A	81.3	Confident	66.2	Low	39 Å²	39	100.1 Å²	100.1	32%	0.322	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-54.2	144.7	173	0	0	0	0	0	109.5	A37 W52 S106 L109	A35-A37 PolarHBondContact O-N 3.44Å; A35-W52 HydrophobicContact CB-CH2 4Å; A35-S106 VanDerWaalsContact CB-OG 3.32Å; A35-S106 WeakPolarHBondContact CB-OG 3.39Å; A35-L109 HydrophobicContact CB-CD2 4.43Å
36	P	87.4	Confident	69.5	Low	22 Å²	22	92.3 Å²	92.3	14%	0.143	55%	0.545	C	S	.	.	P	Polyproline II helix	trans	-52.1	144.1	170.4	17.7	-27.4	0	0	0	110	V51 W52 H55 W102	P36-V51 HydrophobicContact CG-CG1 4.32Å; P36-W52 HydrophobicContact CG-CD2 4.46Å; P36-W52 HydrophobicContact CG-CE3 4.37Å; P36-W52 HydrophobicContact CG-CH2 3.81Å; P36-W52 HydrophobicContact CG-CZ2 3.79Å; P36-W52 HydrophobicContact CG-CZ3 4.09Å; P36-H55 WeakPolarHBondContact CB-NE2 3.3Å; P36-W102 HydrophobicContact CG-CZ2 4.43Å; P36-W102 VanDerWaalsContact O-CD1 3.28Å; P36-W102 PolarHBondContact O-NE1 3.47Å
37	A	89.3	Confident	72.9	Confident	88 Å²	88	86 Å²	86	73%	0.727	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-55	148	169.3	0	0	0	0	0	110	A35 W102	A35-A37 PolarHBondContact O-N 3.44Å; A37-W102 PolarHBondContact O-NE1 3.03Å
38	L	91.3	Very high	76.2	Confident	87 Å²	87	80.3 Å²	80.3	46%	0.455	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-55.8	138.9	169.9	-81.2	163.2	0	0	0	109	A40 T98 Q99 W102	L38-A40 PolarHBondContact O-N 2.93Å; L38-T98 HydrophobicContact CD2-CG2 4.15Å; L38-Q99 HydrophobicContact CD1-CG 4.27Å; L38-Q99 HydrophobicContact CD2-CG 4.33Å; L38-W102 HydrophobicContact CD2-CB 3.81Å; L38-W102 HydrophobicContact CD2-CD2 3.89Å; L38-W102 HydrophobicContact CD2-CE3 4.49Å; L38-W102 HydrophobicContact CD2-CG 3.54Å; L38-W102 HydrophobicContact CG-CG 4.23Å
39	P	89.1	Confident	79.3	Confident	41 Å²	41	73.7 Å²	73.7	27%	0.266	45%	0.452	S	S	.	.	P	Polyproline II helix	trans	-63.1	138.8	179	28.5	-34.5	0	0	0	109.5	G41 I43 T98 W102	P39-G41 PolarHBondContact O-N 3.34Å; P39-I43 HydrophobicContact CB-CG2 3.81Å; P39-I43 HydrophobicContact CG-CD1 4.02Å; P39-I43 HydrophobicContact CG-CG1 4.14Å; P39-I43 HydrophobicContact CG-CG2 4.03Å; P39-T98 HydrophobicContact CG-CG2 3.67Å; P39-W102 HydrophobicContact CG-CH2 4.11Å; P39-W102 HydrophobicContact CG-CZ2 4.36Å
40	A	82.8	Confident	82.3	Confident	121 Å²	121	72.3 Å²	72.3	100%	1	44%	0.44	S	S	*	.	S	Bend	trans	-68.5	-22.2	-179.4	0	0	0	0	0	113	L38	L38-A40 PolarHBondContact O-N 2.93Å
41	G	87.6	Confident	85	Confident	48 Å²	48	62.6 Å²	62.6	50%	0.495	41%	0.407	S	S	.	.	S	Bend	trans	-119.5	174.3	174.8	0	0	0	0	0	112.2	P39	P39-G41 PolarHBondContact O-N 3.34Å
42	Q	91.7	Very high	87.6	Confident	120 Å²	120	58.4 Å²	58.4	56%	0.561	37%	0.372	S	S	*	.			trans	-67.4	143.6	171	-70.4	179.2	-25.3	0	0	110.2	L92	Q42-L92 HydrophobicContact CB-CB 4.29Å; Q42-L92 HydrophobicContact CB-CD1 4.27Å; Q42-L92 HydrophobicContact CB-CD2 4.04Å; Q42-L92 HydrophobicContact CB-CG 4.43Å
43	I	96.4	Very high	90	Very high	22 Å²	22	56 Å²	56	11%	0.113	35%	0.351	C	S	.	.			trans	-127.8	159.9	177.4	62.2	166.2	0	0	0	109.7	P39 Q47 A48 L93 T98 W102	P39-I43 HydrophobicContact CB-CG2 3.81Å; P39-I43 HydrophobicContact CG-CD1 4.02Å; P39-I43 HydrophobicContact CG-CG1 4.14Å; P39-I43 HydrophobicContact CG-CG2 4.03Å; I43-Q47 VanDerWaalsContact CA-OE1 3.25Å; I43-Q47 HydrophobicContact CB-CB 4.1Å; I43-A48 HydrophobicContact CD1-CB 3.76Å; I43-L93 WeakPolarHBondContact O-CB 3.36Å; I43-L93 PolarHBondContact O-N 2.63Å; I43-T98 HydrophobicContact CG1-CG2 4.49Å; I43-W102 HydrophobicContact CD1-CH2 3.59Å; I43-W102 HydrophobicContact CD1-CZ3 3.64Å
44	T	97.4	Very high	91.8	Very high	22 Å²	22	57.8 Å²	57.8	14%	0.135	35%	0.345	C	S	.	.	B	Isolated β-bridge	trans	-83.1	164.9	172.8	69.6	0	0	0	0	111.4	L46 Q47 A48 A90 A91 L92	T44-L46 VanDerWaalsContact C-N 3.27Å; T44-L46 PolarHBondContact O-N 2.99Å; T44-Q47 PolarHBondContact O-N 3.39Å; T44-Q47 WeakPolarHBondContact OG1-CG 3.43Å; T44-Q47 PolarHBondContact OG1-N 3.48Å; T44-Q47 VanDerWaalsContact OG1-N 3.16Å; T44-A48 PolarHBondContact O-N 2.9Å; T44-A90 WeakPolarHBondContact CG2-O 3.14Å; T44-A91 WeakPolarHBondContact CA-O 3.11Å; T44-L92 HydrophobicContact CG2-CD2 4.08Å
45	A	96.2	Very high	93	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.2	-37.4	173.5	0	0	0	0	0	111.8	A48 L49 I72 L76 L89 L93	A45-A48 PolarHBondContact O-N 3.34Å; A45-L49 WeakPolarHBondContact O-CG 3.45Å; A45-L49 PolarHBondContact O-N 3.02Å; A45-I72 HydrophobicContact CB-CG2 3.92Å; A45-L76 HydrophobicContact CB-CD1 4.03Å; A45-L89 HydrophobicContact CB-CD2 4.17Å; A45-L89 PolarHBondContact N-O 2.86Å; A45-L93 HydrophobicContact CB-CD2 4.25Å
46	L	96.1	Very high	93.7	Very high	82 Å²	82	54 Å²	54	43%	0.429	31%	0.312	S	S	.	.	H	α-helix	trans	-61.3	-42.8	174.1	-67.7	171	0	0	0	112.3	T44 L49 D50 L89	T44-L46 VanDerWaalsContact C-N 3.27Å; T44-L46 PolarHBondContact O-N 2.99Å; L46-L49 HydrophobicContact CD2-CD1 4.25Å; L46-L49 WeakPolarHBondContact O-CB 3.42Å; L46-L49 PolarHBondContact O-N 2.9Å; L46-D50 PolarHBondContact O-N 3.32Å; L46-D50 VanDerWaalsContact O-N 3.14Å; L46-L89 HydrophobicContact CD1-CB 4.46Å; L46-L89 HydrophobicContact CD2-CB 4.28Å; L46-L89 HydrophobicContact CG-CB 4.09Å; L46-L89 PolarHBondContact N-O 3.07Å
47	Q	96.4	Very high	94.1	Very high	96 Å²	96	57.1 Å²	57.1	45%	0.449	33%	0.33	S	S	.	.	H	α-helix	trans	-65.8	-39.8	175.8	-72.9	171.3	-26.9	0	0	111.7	I43 T44 L49 D50 V51	I43-Q47 VanDerWaalsContact CA-OE1 3.25Å; I43-Q47 HydrophobicContact CB-CB 4.1Å; T44-Q47 PolarHBondContact O-N 3.39Å; T44-Q47 WeakPolarHBondContact OG1-CG 3.43Å; T44-Q47 PolarHBondContact OG1-N 3.48Å; T44-Q47 VanDerWaalsContact OG1-N 3.16Å; Q47-L49 VanDerWaalsContact C-N 3.35Å; Q47-D50 PolarHBondContact O-N 3.18Å; Q47-V51 VanDerWaalsContact O-CG2 3.28Å; Q47-V51 WeakPolarHBondContact O-CG2 3.37Å; Q47-V51 PolarHBondContact O-N 3.34Å
48	A	96.4	Very high	94.4	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-62.2	-42.4	175.3	0	0	0	0	0	111.7	I43 T44 A45 D50 V51 W52 I72 L93 V101 W102	I43-A48 HydrophobicContact CD1-CB 3.76Å; T44-A48 PolarHBondContact O-N 2.9Å; A45-A48 PolarHBondContact O-N 3.34Å; A48-D50 PolarHBondContact O-N 3.28Å; A48-V51 PolarHBondContact O-N 3.12Å; A48-W52 PolarHBondContact O-N 3.41Å; A48-I72 HydrophobicContact CB-CD1 3.84Å; A48-L93 HydrophobicContact CB-CD1 4.32Å; A48-V101 HydrophobicContact CB-CG1 4.35Å; A48-W102 HydrophobicContact CB-CZ3 4.38Å
49	L	95.5	Very high	94.6	Very high	20 Å²	20	57 Å²	57	11%	0.105	31%	0.314	C	S	.	.	H	α-helix	trans	-54.5	-52	175.1	-80.2	166.5	0	0	0	111.6	A45 L46 Q47 W52 K53 S68 Q69 I72 I81	A45-L49 WeakPolarHBondContact O-CG 3.45Å; A45-L49 PolarHBondContact O-N 3.02Å; L46-L49 HydrophobicContact CD2-CD1 4.25Å; L46-L49 WeakPolarHBondContact O-CB 3.42Å; L46-L49 PolarHBondContact O-N 2.9Å; Q47-L49 VanDerWaalsContact C-N 3.35Å; L49-W52 PolarHBondContact O-N 3.49Å; L49-K53 VanDerWaalsContact O-CB 3.22Å; L49-K53 WeakPolarHBondContact O-CB 3.35Å; L49-K53 PolarHBondContact O-N 3.39Å; L49-S68 WeakPolarHBondContact CA-OG 3.44Å; L49-S68 VanDerWaalsContact CD2-C 3.42Å; L49-S68 WeakPolarHBondContact CD2-O 3.14Å; L49-S68 PolarHBondContact O-OG 3.43Å; L49-S68 VanDerWaalsContact O-OG 3.05Å; L49-Q69 HydrophobicContact CD2-CB 4.43Å; L49-Q69 HydrophobicContact CD2-CG 4.01Å; L49-I72 HydrophobicContact CD1-CG2 4.45Å; L49-I72 HydrophobicContact CD2-CB 3.94Å; L49-I72 HydrophobicContact CD2-CG1 3.7Å; L49-I72 HydrophobicContact CD2-CG2 4.42Å; L49-I72 HydrophobicContact CG-CB 4.23Å; L49-I72 HydrophobicContact CG-CG1 3.9Å; L49-I72 HydrophobicContact CG-CG2 4.23Å; L49-I81 HydrophobicContact CD1-CD1 4Å; L49-I81 HydrophobicContact CD1-CG1 4.25Å
50	D	95.6	Very high	94.9	Very high	96 Å²	96	57.3 Å²	57.3	51%	0.513	32%	0.324	S	S	.	.	H	α-helix	trans	-66.7	-37.3	-177.4	-75.3	-25.5	0	0	0	112.8	L46 Q47 A48 R54	L46-D50 PolarHBondContact O-N 3.32Å; L46-D50 VanDerWaalsContact O-N 3.14Å; Q47-D50 PolarHBondContact O-N 3.18Å; A48-D50 PolarHBondContact O-N 3.28Å; D50-R54 WeakPolarHBondContact O-CG 3.48Å; D50-R54 PolarHBondContact O-N 3.16Å; D50-R54 PolarHBondContact O-NE 2.99Å; D50-R54 VanDerWaalsContact O-NE 3.13Å
51	V	96	Very high	95.5	Very high	32 Å²	32	51.9 Å²	51.9	19%	0.194	28%	0.279	C	S	.	.	H	α-helix	trans	-62.9	-51.1	175.2	168.6	0	0	0	0	110	P36 Q47 A48 R54 H55 W102	P36-V51 HydrophobicContact CG-CG1 4.32Å; Q47-V51 VanDerWaalsContact O-CG2 3.28Å; Q47-V51 WeakPolarHBondContact O-CG2 3.37Å; Q47-V51 PolarHBondContact O-N 3.34Å; A48-V51 PolarHBondContact O-N 3.12Å; V51-R54 PolarHBondContact O-N 3.22Å; V51-H55 PolarHBondContact O-N 3.07Å; V51-H55 VanDerWaalsContact O-N 3.15Å; V51-H55 PolarHBondContact O-ND1 3.21Å; V51-W102 HydrophobicContact CG1-CH2 4.27Å; V51-W102 HydrophobicContact CG1-CZ2 4.17Å
52	W	96.9	Very high	95.8	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-74.3	-36.8	-174.8	-78.6	109.7	0	0	0	113.4	A35 P36 A48 L49 R54 H55 F56 W102 C105	A35-W52 HydrophobicContact CB-CH2 4Å; P36-W52 HydrophobicContact CG-CD2 4.46Å; P36-W52 HydrophobicContact CG-CE3 4.37Å; P36-W52 HydrophobicContact CG-CH2 3.81Å; P36-W52 HydrophobicContact CG-CZ2 3.79Å; P36-W52 HydrophobicContact CG-CZ3 4.09Å; A48-W52 PolarHBondContact O-N 3.41Å; L49-W52 PolarHBondContact O-N 3.49Å; W52-R54 VanDerWaalsContact C-N 3.3Å; W52-R54 PolarHBondContact O-N 3.17Å; W52-H55 HydrophobicContact CE3-CB 4.25Å; W52-H55 PolarHBondContact O-N 3.1Å; W52-F56 HydrophobicContact CB-CE2 4.09Å; W52-F56 HydrophobicContact CB-CZ 4.34Å; W52-F56 HydrophobicContact CE3-CD1 4.48Å; W52-F56 AromaticContact CE3-CE1 3.82Å; W52-F56 HydrophobicContact CE3-CE1 3.82Å; W52-F56 AromaticContact CE3-CZ 3.95Å; W52-F56 HydrophobicContact CE3-CZ 3.95Å; W52-F56 HydrophobicContact CZ3-CE1 4.21Å; W52-F56 WeakPolarHBondContact O-CB 3.36Å; W52-F56 VanDerWaalsContact O-CD2 3.25Å; W52-F56 WeakPolarHBondContact O-CD2 3.45Å; W52-F56 WeakPolarHBondContact O-CG 3.39Å; W52-F56 PolarHBondContact O-N 3.44Å; W52-W102 HydrophobicContact CZ2-CB 4.22Å; W52-W102 AromaticContact CZ2-CD1 3.69Å; W52-W102 AromaticContact CZ2-CD2 3.82Å; W52-W102 HydrophobicContact CZ2-CD2 3.82Å; W52-W102 AromaticContact CZ2-CE2 3.93Å; W52-W102 HydrophobicContact CZ2-CE3 4.47Å; W52-W102 AromaticContact CZ2-CG 3.68Å; W52-W102 HydrophobicContact CZ2-CG 3.68Å; W52-W102 AromaticContact CZ2-NE1 3.85Å; W52-W102 AromaticContact NE1-CD2 3.59Å; W52-W102 AromaticContact NE1-CE2 3.84Å; W52-W102 AromaticContact NE1-CE3 3.4Å; W52-W102 AromaticContact NE1-CH2 3.78Å; W52-W102 AromaticContact NE1-CZ2 3.94Å; W52-W102 AromaticContact NE1-CZ3 3.5Å; W52-C105 HydrophobicContact CD2-CB 3.18Å; W52-C105 HydrophobicContact CE3-CB 3.34Å; W52-C105 HydrophobicContact CG-CB 3.74Å; W52-C105 VanDerWaalsContact CG-SG 3.53Å; W52-C105 HydrophobicContact CH2-CB 3.61Å; W52-C105 HydrophobicContact CZ2-CB 3.55Å; W52-C105 HydrophobicContact CZ3-CB 3.53Å
53	K	96.9	Very high	95.9	Very high	67 Å²	67	50.8 Å²	50.8	29%	0.291	26%	0.263	S	S	.	.	H	α-helix	trans	-54	-47.9	171.4	174.2	175.2	169.4	169.2	0	110.9	L49 F56 V57 E65	L49-K53 VanDerWaalsContact O-CB 3.22Å; L49-K53 WeakPolarHBondContact O-CB 3.35Å; L49-K53 PolarHBondContact O-N 3.39Å; K53-F56 PolarHBondContact O-N 3.27Å; K53-V57 WeakPolarHBondContact O-CG2 3.29Å; K53-V57 PolarHBondContact O-N 3.3Å; K53-E65 HydrophobicContact CD-CB 4.08Å; K53-E65 HydrophobicContact CD-CG 4.3Å; K53-E65 HydrophobicContact CG-CB 4.48Å; K53-E65 IonicContact NZ-OE1 2.69Å; K53-E65 PolarHBondContact NZ-OE1 2.99Å; K53-E65 IonicContact NZ-OE2 3.28Å; K53-E65 PolarHBondContact NZ-OE2 3.21Å
54	R	96.1	Very high	95.9	Very high	133 Å²	133	51.2 Å²	51.2	50%	0.502	27%	0.267	S	S	.	.	H	α-helix	trans	-62.2	-46.5	177.5	-75.2	-177	-68	126.2	-8.1	112.3	D50 V51 W52 F56 V57 E58	D50-R54 WeakPolarHBondContact O-CG 3.48Å; D50-R54 PolarHBondContact O-N 3.16Å; D50-R54 PolarHBondContact O-NE 2.99Å; D50-R54 VanDerWaalsContact O-NE 3.13Å; V51-R54 PolarHBondContact O-N 3.22Å; W52-R54 VanDerWaalsContact C-N 3.3Å; W52-R54 PolarHBondContact O-N 3.17Å; R54-F56 VanDerWaalsContact C-N 3.32Å; R54-F56 PolarHBondContact O-N 2.94Å; R54-V57 PolarHBondContact O-N 3.5Å; R54-E58 WeakPolarHBondContact O-CG 3.46Å; R54-E58 PolarHBondContact O-N 2.91Å
55	H	95.8	Very high	95.9	Very high	37 Å²	37	53.9 Å²	53.9	17%	0.171	28%	0.279	C	S	.	.	H	α-helix	trans	-63.1	-38.6	179	-77.3	82	0	0	0	112.7	P36 V51 W52 E58 N59	P36-H55 WeakPolarHBondContact CB-NE2 3.3Å; V51-H55 PolarHBondContact O-N 3.07Å; V51-H55 VanDerWaalsContact O-N 3.15Å; V51-H55 PolarHBondContact O-ND1 3.21Å; W52-H55 HydrophobicContact CE3-CB 4.25Å; W52-H55 PolarHBondContact O-N 3.1Å; H55-E58 PolarHBondContact O-N 3.37Å; H55-N59 WeakPolarHBondContact O-CB 3.49Å; H55-N59 PolarHBondContact O-N 3.41Å; H55-N59 PolarHBondContact O-ND2 3.07Å
56	F	96.8	Very high	95.9	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-64.3	-43.6	175.1	-67.2	-27.5	0	0	0	111.7	W52 K53 R54 N59 G60 V61 P64 C105 R108 L109	W52-F56 HydrophobicContact CB-CE2 4.09Å; W52-F56 HydrophobicContact CB-CZ 4.34Å; W52-F56 HydrophobicContact CE3-CD1 4.48Å; W52-F56 AromaticContact CE3-CE1 3.82Å; W52-F56 HydrophobicContact CE3-CE1 3.82Å; W52-F56 AromaticContact CE3-CZ 3.95Å; W52-F56 HydrophobicContact CE3-CZ 3.95Å; W52-F56 HydrophobicContact CZ3-CE1 4.21Å; W52-F56 WeakPolarHBondContact O-CB 3.36Å; W52-F56 VanDerWaalsContact O-CD2 3.25Å; W52-F56 WeakPolarHBondContact O-CD2 3.45Å; W52-F56 WeakPolarHBondContact O-CG 3.39Å; W52-F56 PolarHBondContact O-N 3.44Å; K53-F56 PolarHBondContact O-N 3.27Å; R54-F56 VanDerWaalsContact C-N 3.32Å; R54-F56 PolarHBondContact O-N 2.94Å; F56-N59 PolarHBondContact O-N 3.46Å; F56-G60 PolarHBondContact O-N 3.31Å; F56-G60 VanDerWaalsContact O-N 3.09Å; F56-V61 HydrophobicContact CB-CB 3.84Å; F56-V61 HydrophobicContact CB-CG1 4.15Å; F56-V61 HydrophobicContact CB-CG2 4.41Å; F56-V61 HydrophobicContact CD1-CB 4.24Å; F56-V61 HydrophobicContact CD1-CG1 4.16Å; F56-V61 HydrophobicContact CD1-CG2 4.09Å; F56-V61 HydrophobicContact CG-CB 4.28Å; F56-V61 HydrophobicContact CG-CG1 4.17Å; F56-V61 WeakPolarHBondContact O-CB 3.48Å; F56-V61 PolarHBondContact O-N 3.41Å; F56-P64 HydrophobicContact CB-CB 3.49Å; F56-P64 VanDerWaalsContact CB-CB 3.49Å; F56-P64 WeakPolarHBondContact CD2-O 3.49Å; F56-C105 HydrophobicContact CE1-CB 4.37Å; F56-C105 WeakPolarHBondContact CE1-O 3.31Å; F56-C105 HydrophobicContact CZ-CB 3.76Å; F56-R108 HydrophobicContact CD1-CG 4.28Å; F56-R108 HydrophobicContact CE1-CB 3.74Å; F56-R108 HydrophobicContact CE1-CG 3.7Å; F56-R108 HydrophobicContact CE2-CB 4.5Å; F56-R108 HydrophobicContact CE2-CG 4.06Å; F56-R108 HydrophobicContact CZ-CB 3.62Å; F56-R108 HydrophobicContact CZ-CG 3.58Å; F56-L109 HydrophobicContact CD1-CD1 4.16Å; F56-L109 HydrophobicContact CE1-CB 4.37Å
57	V	96.6	Very high	95.9	Very high	88 Å²	88	53.7 Å²	53.7	53%	0.533	28%	0.276	S	S	.	.	H	α-helix	trans	-59.3	-50.5	173.9	171.2	0	0	0	0	111	K53 R54 N59 G60 P64	K53-V57 WeakPolarHBondContact O-CG2 3.29Å; K53-V57 PolarHBondContact O-N 3.3Å; R54-V57 PolarHBondContact O-N 3.5Å; V57-N59 PolarHBondContact O-N 2.87Å; V57-G60 PolarHBondContact O-N 3.04Å; V57-P64 HydrophobicContact CG2-CB 3.83Å; V57-P64 HydrophobicContact CG2-CG 3.63Å
58	E	95.9	Very high	95.9	Very high	135 Å²	135	49.2 Å²	49.2	63%	0.631	26%	0.255	S	S	*	.	H	α-helix	trans	-62.1	-29.2	-177.6	-72.8	170.1	-173.5	0	0	113	R54 H55	R54-E58 WeakPolarHBondContact O-CG 3.46Å; R54-E58 PolarHBondContact O-N 2.91Å; H55-E58 PolarHBondContact O-N 3.37Å
59	N	95	Very high	95.9	Very high	38 Å²	38	51.5 Å²	51.5	20%	0.203	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.5	6.2	178.6	-71.9	-90.7	0	0	0	113.5	C33 H55 F56 V57 V61 L109 R111	C33-N59 PolarHBondContact SG-OD1 3.38Å; H55-N59 WeakPolarHBondContact O-CB 3.49Å; H55-N59 PolarHBondContact O-N 3.41Å; H55-N59 PolarHBondContact O-ND2 3.07Å; F56-N59 PolarHBondContact O-N 3.46Å; V57-N59 PolarHBondContact O-N 2.87Å; N59-V61 VanDerWaalsContact C-N 3.31Å; N59-V61 HydrophobicContact CB-CG2 4.4Å; N59-V61 PolarHBondContact O-N 3.16Å; N59-L109 HydrophobicContact CB-CD1 3.66Å; N59-R111 PolarHBondContact O-NH2 3.28Å
60	G	94.7	Very high	96	Very high	47 Å²	47	53.1 Å²	53.1	49%	0.485	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.1	30.8	176.9	0	0	0	0	0	114.1	F56 V57 R111	F56-G60 PolarHBondContact O-N 3.31Å; F56-G60 VanDerWaalsContact O-N 3.09Å; V57-G60 PolarHBondContact O-N 3.04Å; G60-R111 PolarHBondContact O-NH1 3.18Å; G60-R111 PolarHBondContact O-NH2 3.05Å
61	V	95.2	Very high	96.1	Very high	7 Å²	7	48.6 Å²	48.6	4%	0.042	25%	0.246	C	C	.	.			trans	-72.8	133.9	174.1	174.3	0	0	0	0	109	F56 N59 R108 L109	F56-V61 HydrophobicContact CB-CB 3.84Å; F56-V61 HydrophobicContact CB-CG1 4.15Å; F56-V61 HydrophobicContact CB-CG2 4.41Å; F56-V61 HydrophobicContact CD1-CB 4.24Å; F56-V61 HydrophobicContact CD1-CG1 4.16Å; F56-V61 HydrophobicContact CD1-CG2 4.09Å; F56-V61 HydrophobicContact CG-CB 4.28Å; F56-V61 HydrophobicContact CG-CG1 4.17Å; F56-V61 WeakPolarHBondContact O-CB 3.48Å; F56-V61 PolarHBondContact O-N 3.41Å; N59-V61 VanDerWaalsContact C-N 3.31Å; N59-V61 HydrophobicContact CB-CG2 4.4Å; N59-V61 PolarHBondContact O-N 3.16Å; V61-R108 HydrophobicContact CG1-CG 4.01Å; V61-L109 HydrophobicContact CG2-CD1 4.28Å
62	T	93.4	Very high	96.2	Very high	39 Å²	39	47 Å²	47	24%	0.239	24%	0.237	C	C	.	.	S	Bend	trans	-68.2	147.3	178.9	51.3	0	0	0	0	111.4	S67 R108	T62-S67 PolarHBondContact O-OG 3.42Å; T62-R108 PolarHBondContact O-NH2 2.96Å; T62-R108 PolarHBondContact OG1-NH2 3.19Å
63	E	94.5	Very high	96.1	Very high	105 Å²	105	47 Å²	47	49%	0.491	24%	0.237	S	C	.	.	S	Bend	trans	49.1	55.4	178.2	-53.9	-179.3	129.9	0	0	113.5	E65 Q66 S67	E63-E65 VanDerWaalsContact C-N 3.33Å; E63-E65 PolarHBondContact O-N 3.21Å; E63-Q66 HydrophobicContact CB-CB 4.28Å; E63-Q66 PolarHBondContact O-N 3.31Å; E63-S67 VanDerWaalsContact O-CB 3.24Å; E63-S67 WeakPolarHBondContact O-CB 3.38Å; E63-S67 PolarHBondContact O-N 2.94Å; E63-S67 PolarHBondContact O-OG 2.94Å
64	P	96.6	Very high	96.1	Very high	31 Å²	31	47 Å²	47	20%	0.201	24%	0.237	C	C	.	.	H	α-helix	trans	-64.9	-36	-168.2	25.5	-35.3	0	0	0	113.1	F56 V57 S68	F56-P64 HydrophobicContact CB-CB 3.49Å; F56-P64 VanDerWaalsContact CB-CB 3.49Å; F56-P64 WeakPolarHBondContact CD2-O 3.49Å; V57-P64 HydrophobicContact CG2-CB 3.83Å; V57-P64 HydrophobicContact CG2-CG 3.63Å; P64-S68 PolarHBondContact O-N 3.34Å
65	E	96.4	Very high	96.1	Very high	79 Å²	79	42.2 Å²	42.2	37%	0.369	22%	0.222	S	C	.	.	H	α-helix	trans	-71.1	-51.8	179	175.7	153.2	-145.9	0	0	111.2	K53 E63 S67 S68 Q69	K53-E65 HydrophobicContact CD-CB 4.08Å; K53-E65 HydrophobicContact CD-CG 4.3Å; K53-E65 HydrophobicContact CG-CB 4.48Å; K53-E65 IonicContact NZ-OE1 2.69Å; K53-E65 PolarHBondContact NZ-OE1 2.99Å; K53-E65 IonicContact NZ-OE2 3.28Å; K53-E65 PolarHBondContact NZ-OE2 3.21Å; E63-E65 VanDerWaalsContact C-N 3.33Å; E63-E65 PolarHBondContact O-N 3.21Å; E65-S67 VanDerWaalsContact C-N 3.31Å; E65-S67 PolarHBondContact O-N 3.22Å; E65-S68 PolarHBondContact O-N 3.34Å; E65-Q69 VanDerWaalsContact O-CG 3.32Å; E65-Q69 WeakPolarHBondContact O-CG 3.31Å; E65-Q69 PolarHBondContact O-N 3.47Å
66	Q	96.3	Very high	96.1	Very high	76 Å²	76	41.9 Å²	41.9	36%	0.355	22%	0.221	S	C	.	.	H	α-helix	trans	-60.3	-42.7	178.9	-65.6	76.2	11	0	0	111	E63 S68 Q69 Y70	E63-Q66 HydrophobicContact CB-CB 4.28Å; E63-Q66 PolarHBondContact O-N 3.31Å; Q66-S68 VanDerWaalsContact C-N 3.32Å; Q66-S68 PolarHBondContact O-N 3.01Å; Q66-Q69 PolarHBondContact O-N 3.14Å; Q66-Y70 HydrophobicContact CB-CD2 4.29Å; Q66-Y70 HydrophobicContact CB-CE2 4.16Å; Q66-Y70 WeakPolarHBondContact O-CD2 3.32Å; Q66-Y70 PolarHBondContact O-N 2.76Å
67	S	96.4	Very high	96	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.014	26%	0.259	C	S	.	.	H	α-helix	trans	-56.7	-46.2	176.7	-64.7	0	0	0	0	111.9	T62 E63 E65 I71 R108	T62-S67 PolarHBondContact O-OG 3.42Å; E63-S67 VanDerWaalsContact O-CB 3.24Å; E63-S67 WeakPolarHBondContact O-CB 3.38Å; E63-S67 PolarHBondContact O-N 2.94Å; E63-S67 PolarHBondContact O-OG 2.94Å; E65-S67 VanDerWaalsContact C-N 3.31Å; E65-S67 PolarHBondContact O-N 3.22Å; S67-I71 WeakPolarHBondContact O-CD1 3.42Å; S67-I71 VanDerWaalsContact O-CG1 3.26Å; S67-I71 WeakPolarHBondContact O-CG1 3.47Å; S67-I71 PolarHBondContact O-N 3.4Å; S67-R108 PolarHBondContact OG-NE 2.93Å
68	S	96.6	Very high	95.9	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.007	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-44.4	178.2	-159.2	0	0	0	0	111	L49 P64 E65 Q66 I71 I72	L49-S68 WeakPolarHBondContact CA-OG 3.44Å; L49-S68 VanDerWaalsContact CD2-C 3.42Å; L49-S68 WeakPolarHBondContact CD2-O 3.14Å; L49-S68 PolarHBondContact O-OG 3.43Å; L49-S68 VanDerWaalsContact O-OG 3.05Å; P64-S68 PolarHBondContact O-N 3.34Å; E65-S68 PolarHBondContact O-N 3.34Å; Q66-S68 VanDerWaalsContact C-N 3.32Å; Q66-S68 PolarHBondContact O-N 3.01Å; S68-I71 PolarHBondContact O-N 3.36Å; S68-I72 WeakPolarHBondContact O-CB 3.49Å; S68-I72 VanDerWaalsContact O-CG1 3.22Å; S68-I72 WeakPolarHBondContact O-CG1 3.37Å; S68-I72 PolarHBondContact O-N 3.03Å
69	Q	97.1	Very high	95.6	Very high	49 Å²	49	40.9 Å²	40.9	23%	0.229	23%	0.233	C	C	.	.	H	α-helix	trans	-60	-48.5	178.3	-73	172.3	-12.4	0	0	112.6	L49 E65 Q66 I72 A73 I81	L49-Q69 HydrophobicContact CD2-CB 4.43Å; L49-Q69 HydrophobicContact CD2-CG 4.01Å; E65-Q69 VanDerWaalsContact O-CG 3.32Å; E65-Q69 WeakPolarHBondContact O-CG 3.31Å; E65-Q69 PolarHBondContact O-N 3.47Å; Q66-Q69 PolarHBondContact O-N 3.14Å; Q69-I72 PolarHBondContact O-N 2.9Å; Q69-A73 VanDerWaalsContact O-CB 3.25Å; Q69-A73 WeakPolarHBondContact O-CB 3.26Å; Q69-A73 PolarHBondContact O-N 3.3Å; Q69-I81 HydrophobicContact CB-CB 4.13Å; Q69-I81 HydrophobicContact CB-CG2 4.13Å; Q69-I81 HydrophobicContact CG-CB 4.31Å; Q69-I81 HydrophobicContact CG-CG2 3.99Å
70	Y	97.2	Very high	95.5	Very high	54 Å²	54	41.4 Å²	41.4	21%	0.212	24%	0.238	C	C	.	.	H	α-helix	trans	-63.8	-43.3	179.1	-77.3	-57.8	0	0	0	112.5	Q66 I72 A73 H74 V114 W121	Q66-Y70 HydrophobicContact CB-CD2 4.29Å; Q66-Y70 HydrophobicContact CB-CE2 4.16Å; Q66-Y70 WeakPolarHBondContact O-CD2 3.32Å; Q66-Y70 PolarHBondContact O-N 2.76Å; Y70-I72 VanDerWaalsContact C-N 3.34Å; Y70-I72 PolarHBondContact O-N 2.58Å; Y70-A73 PolarHBondContact O-N 2.7Å; Y70-H74 WeakPolarHBondContact O-CB 3.29Å; Y70-H74 PolarHBondContact O-N 3.49Å; Y70-V114 HydrophobicContact CD2-CG1 4.34Å; Y70-W121 HydrophobicContact CE1-CZ3 4.47Å; Y70-W121 HydrophobicContact CE2-CH2 4.12Å; Y70-W121 HydrophobicContact CE2-CZ3 4.19Å
71	I	97.6	Very high	95.5	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.6	-42.5	179.6	-69.2	168.6	0	0	0	111	S67 S68 L75 L104 R108 V114 I117	S67-I71 WeakPolarHBondContact O-CD1 3.42Å; S67-I71 VanDerWaalsContact O-CG1 3.26Å; S67-I71 WeakPolarHBondContact O-CG1 3.47Å; S67-I71 PolarHBondContact O-N 3.4Å; S68-I71 PolarHBondContact O-N 3.36Å; I71-L75 PolarHBondContact O-N 3.06Å; I71-L104 HydrophobicContact CG2-CB 3.58Å; I71-L104 HydrophobicContact CG2-CD1 3.97Å; I71-L104 HydrophobicContact CG2-CG 4.44Å; I71-R108 HydrophobicContact CD1-CB 4.01Å; I71-V114 HydrophobicContact CG1-CG2 4.03Å; I71-I117 HydrophobicContact CD1-CG2 4.32Å; I71-I117 HydrophobicContact CG1-CG2 4.23Å
72	I	97.4	Very high	95.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-71.4	-42.5	179.7	-65.6	-73	0	0	0	111.3	A45 A48 L49 S68 Q69 Y70 H74 L75 L76 I81 V101	A45-I72 HydrophobicContact CB-CG2 3.92Å; A48-I72 HydrophobicContact CB-CD1 3.84Å; L49-I72 HydrophobicContact CD1-CG2 4.45Å; L49-I72 HydrophobicContact CD2-CB 3.94Å; L49-I72 HydrophobicContact CD2-CG1 3.7Å; L49-I72 HydrophobicContact CD2-CG2 4.42Å; L49-I72 HydrophobicContact CG-CB 4.23Å; L49-I72 HydrophobicContact CG-CG1 3.9Å; L49-I72 HydrophobicContact CG-CG2 4.23Å; S68-I72 WeakPolarHBondContact O-CB 3.49Å; S68-I72 VanDerWaalsContact O-CG1 3.22Å; S68-I72 WeakPolarHBondContact O-CG1 3.37Å; S68-I72 PolarHBondContact O-N 3.03Å; Q69-I72 PolarHBondContact O-N 2.9Å; Y70-I72 VanDerWaalsContact C-N 3.34Å; Y70-I72 PolarHBondContact O-N 2.58Å; I72-H74 VanDerWaalsContact C-N 3.34Å; I72-H74 PolarHBondContact O-N 3.46Å; I72-L75 WeakPolarHBondContact O-CB 3.34Å; I72-L75 PolarHBondContact O-N 3.22Å; I72-L76 HydrophobicContact CG2-CD1 4.04Å; I72-L76 VanDerWaalsContact O-CG 3.31Å; I72-L76 WeakPolarHBondContact O-CG 3.37Å; I72-L76 PolarHBondContact O-N 3.29Å; I72-L76 VanDerWaalsContact O-N 3.12Å; I72-I81 HydrophobicContact CB-CD1 4.33Å; I72-I81 HydrophobicContact CG2-CD1 3.86Å; I72-V101 HydrophobicContact CD1-CB 4.29Å; I72-V101 HydrophobicContact CD1-CG1 3.61Å; I72-V101 HydrophobicContact CD1-CG2 3.59Å
73	A	96.7	Very high	95.5	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.6	-48.5	174.6	0	0	0	0	0	110.8	Q69 Y70 L75 L76 G77 A78 T80 I81 V84	Q69-A73 VanDerWaalsContact O-CB 3.25Å; Q69-A73 WeakPolarHBondContact O-CB 3.26Å; Q69-A73 PolarHBondContact O-N 3.3Å; Y70-A73 PolarHBondContact O-N 2.7Å; A73-L75 PolarHBondContact O-N 2.96Å; A73-L76 CarbonylContact O-C 3.56Å; A73-L76 WeakPolarHBondContact O-CA 3.46Å; A73-L76 PolarHBondContact O-N 2.85Å; A73-G77 PolarHBondContact O-N 2.9Å; A73-A78 CarbonylContact C-O 3.45Å; A73-A78 HydrophobicContact CB-CB 4.41Å; A73-A78 PolarHBondContact O-N 3.27Å; A73-T80 VanDerWaalsContact CB-C 3.47Å; A73-I81 HydrophobicContact CB-CD1 4.48Å; A73-V84 HydrophobicContact CB-CG2 4.48Å
74	H	96.3	Very high	95.5	Very high	65 Å²	65	44 Å²	44	30%	0.301	24%	0.244	S	C	.	.	H	α-helix	trans	-57.7	-45.8	178	174.4	82.5	0	0	0	112.1	Y70 I72 L76 G77 A78 I118	Y70-H74 WeakPolarHBondContact O-CB 3.29Å; Y70-H74 PolarHBondContact O-N 3.49Å; I72-H74 VanDerWaalsContact C-N 3.34Å; I72-H74 PolarHBondContact O-N 3.46Å; H74-L76 PolarHBondContact O-N 3.42Å; H74-G77 PolarHBondContact O-N 3.34Å; H74-A78 PolarHBondContact N-O 3.46Å; H74-I118 HydrophobicContact CB-CB 4.28Å; H74-I118 HydrophobicContact CB-CG2 3.87Å; H74-I118 PolarHBondContact CE1-O 2.78Å; H74-I118 VanDerWaalsContact CE1-O 3.31Å
75	L	96.1	Very high	95.4	Very high	34 Å²	34	49.2 Å²	49.2	18%	0.178	27%	0.265	C	S	.	.	H	α-helix	trans	-54.8	-42.3	174.7	-180	84.8	0	0	0	111.9	I71 I72 A73 G77 L93 E97 Q100 V101	I71-L75 PolarHBondContact O-N 3.06Å; I72-L75 WeakPolarHBondContact O-CB 3.34Å; I72-L75 PolarHBondContact O-N 3.22Å; A73-L75 PolarHBondContact O-N 2.96Å; L75-G77 PolarHBondContact O-N 3.34Å; L75-L93 HydrophobicContact CD2-CD2 4.29Å; L75-E97 HydrophobicContact CD2-CB 3.99Å; L75-E97 HydrophobicContact CD2-CG 4.3Å; L75-Q100 HydrophobicContact CD1-CB 3.62Å; L75-Q100 HydrophobicContact CD1-CG 3.38Å; L75-V101 HydrophobicContact CB-CG2 4.42Å; L75-V101 HydrophobicContact CD1-CG2 4.14Å; L75-V101 HydrophobicContact CD2-CG2 3.26Å; L75-V101 HydrophobicContact CG-CG2 4.11Å
76	L	95.9	Very high	95.3	Very high	30 Å²	30	53.4 Å²	53.4	16%	0.157	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	8.7	-176.7	-61.2	177.3	0	0	0	112.9	A45 I72 A73 H74 V84 R88 L89 L93	A45-L76 HydrophobicContact CB-CD1 4.03Å; I72-L76 HydrophobicContact CG2-CD1 4.04Å; I72-L76 VanDerWaalsContact O-CG 3.31Å; I72-L76 WeakPolarHBondContact O-CG 3.37Å; I72-L76 PolarHBondContact O-N 3.29Å; I72-L76 VanDerWaalsContact O-N 3.12Å; A73-L76 CarbonylContact O-C 3.56Å; A73-L76 WeakPolarHBondContact O-CA 3.46Å; A73-L76 PolarHBondContact O-N 2.85Å; H74-L76 PolarHBondContact O-N 3.42Å; L76-V84 HydrophobicContact CB-CG1 4.4Å; L76-V84 HydrophobicContact CB-CG2 4.4Å; L76-V84 HydrophobicContact CD1-CG1 3.78Å; L76-V84 HydrophobicContact CD1-CG2 4.45Å; L76-R88 HydrophobicContact CD1-CG 4.39Å; L76-R88 HydrophobicContact CD2-CG 4.35Å; L76-L89 HydrophobicContact CD1-CD2 3.99Å; L76-L93 HydrophobicContact CD2-CD2 4.16Å
77	G	94.4	Very high	95.2	Very high	76 Å²	76	56.8 Å²	56.8	78%	0.784	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	21.7	177.2	0	0	0	0	0	114	A73 H74 L75	A73-G77 PolarHBondContact O-N 2.9Å; H74-G77 PolarHBondContact O-N 3.34Å; L75-G77 PolarHBondContact O-N 3.34Å
78	A	94.3	Very high	95.2	Very high	20 Å²	20	60.6 Å²	60.6	17%	0.165	31%	0.314	C	S	.	.			trans	-119.4	152.6	-176.7	0	0	0	0	0	111.4	A73 H74 S83 V84	A73-A78 CarbonylContact C-O 3.45Å; A73-A78 HydrophobicContact CB-CB 4.41Å; A73-A78 PolarHBondContact O-N 3.27Å; H74-A78 PolarHBondContact N-O 3.46Å; A78-S83 WeakPolarHBondContact CB-OG 3.19Å; A78-V84 HydrophobicContact CB-CG2 3.45Å; A78-V84 VanDerWaalsContact CB-CG2 3.45Å
79	K	90.3	Very high	95.1	Very high	105 Å²	105	61.5 Å²	61.5	46%	0.457	32%	0.319	S	S	.	.	S	Bend	trans	-78.1	-40.2	178.1	-73.5	-173	163.9	-153.9	0	112.9	D122 T127	K79-D122 IonicContact NZ-OD1 3.92Å; K79-D122 PolarHBondContact NZ-OD1 3.03Å; K79-D122 IonicContact NZ-OD2 3.96Å; K79-D122 PolarHBondContact NZ-OD2 3.41Å; K79-T127 PolarHBondContact NZ-OG1 2.93Å
80	T	92.8	Very high	95	Very high	50 Å²	50	62 Å²	62	31%	0.307	33%	0.331	S	S	.	.	S	Bend	trans	-130.9	157.5	179.5	83.6	0	0	0	0	110.2	A73 E82 S83	A73-T80 VanDerWaalsContact CB-C 3.47Å; T80-E82 WeakPolarHBondContact CB-OE2 3.25Å; T80-E82 PolarHBondContact O-N 3.39Å; T80-E82 PolarHBondContact OG1-N 2.78Å; T80-E82 PolarHBondContact OG1-OE2 3.44Å; T80-S83 PolarHBondContact N-OG 2.67Å; T80-S83 PolarHBondContact O-N 3.11Å; T80-S83 VanDerWaalsContact O-N 3.11Å; T80-S83 PolarHBondContact O-OG 2.95Å; T80-S83 PolarHBondContact OG1-N 3.48Å
81	I	93.6	Very high	94.8	Very high	20 Å²	20	61.2 Å²	61.2	10%	0.103	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-65.5	-29.7	-178.7	-161.2	68.7	0	0	0	111.7	L49 Q69 I72 A73 S83 V84 L89	L49-I81 HydrophobicContact CD1-CD1 4Å; L49-I81 HydrophobicContact CD1-CG1 4.25Å; Q69-I81 HydrophobicContact CB-CB 4.13Å; Q69-I81 HydrophobicContact CB-CG2 4.13Å; Q69-I81 HydrophobicContact CG-CB 4.31Å; Q69-I81 HydrophobicContact CG-CG2 3.99Å; I72-I81 HydrophobicContact CB-CD1 4.33Å; I72-I81 HydrophobicContact CG2-CD1 3.86Å; A73-I81 HydrophobicContact CB-CD1 4.48Å; I81-S83 PolarHBondContact O-N 3.31Å; I81-V84 HydrophobicContact CD1-CG2 4.45Å; I81-V84 WeakPolarHBondContact O-CB 3.22Å; I81-V84 PolarHBondContact O-N 2.8Å; I81-L89 HydrophobicContact CD1-CD2 3.56Å; I81-L89 HydrophobicContact CG1-CD1 4.43Å; I81-L89 HydrophobicContact CG1-CD2 4.23Å
82	E	94.1	Very high	94.8	Very high	145 Å²	145	65.7 Å²	65.7	68%	0.678	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-68.3	-24.4	176.8	-57.5	76.7	-167.5	0	0	112.6	T80 V84	T80-E82 WeakPolarHBondContact CB-OE2 3.25Å; T80-E82 PolarHBondContact O-N 3.39Å; T80-E82 PolarHBondContact OG1-N 2.78Å; T80-E82 PolarHBondContact OG1-OE2 3.44Å; E82-V84 VanDerWaalsContact C-N 3.28Å
83	S	94.4	Very high	94.8	Very high	72 Å²	72	65.7 Å²	65.7	50%	0.503	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-82.5	-4.8	175.5	65.1	0	0	0	0	113.6	A78 T80 I81	A78-S83 WeakPolarHBondContact CB-OG 3.19Å; T80-S83 PolarHBondContact N-OG 2.67Å; T80-S83 PolarHBondContact O-N 3.11Å; T80-S83 VanDerWaalsContact O-N 3.11Å; T80-S83 PolarHBondContact O-OG 2.95Å; T80-S83 PolarHBondContact OG1-N 3.48Å; I81-S83 PolarHBondContact O-N 3.31Å
84	V	95.4	Very high	94.7	Very high	16 Å²	16	67.5 Å²	67.5	10%	0.097	37%	0.373	C	S	.	.	S	Bend	trans	-87.4	132	175.5	-172.8	0	0	0	0	110	A73 L76 A78 I81 E82 Q86 R88 L89	A73-V84 HydrophobicContact CB-CG2 4.48Å; L76-V84 HydrophobicContact CB-CG1 4.4Å; L76-V84 HydrophobicContact CB-CG2 4.4Å; L76-V84 HydrophobicContact CD1-CG1 3.78Å; L76-V84 HydrophobicContact CD1-CG2 4.45Å; A78-V84 HydrophobicContact CB-CG2 3.45Å; A78-V84 VanDerWaalsContact CB-CG2 3.45Å; I81-V84 HydrophobicContact CD1-CG2 4.45Å; I81-V84 WeakPolarHBondContact O-CB 3.22Å; I81-V84 PolarHBondContact O-N 2.8Å; E82-V84 VanDerWaalsContact C-N 3.28Å; V84-Q86 PolarHBondContact O-N 2.73Å; V84-R88 HydrophobicContact CG1-CB 4.01Å; V84-R88 HydrophobicContact CG1-CG 4.06Å; V84-L89 HydrophobicContact CB-CD1 4.34Å; V84-L89 HydrophobicContact CB-CD2 3.98Å; V84-L89 HydrophobicContact CB-CG 4.03Å; V84-L89 HydrophobicContact CG1-CD2 3.68Å; V84-L89 HydrophobicContact CG1-CG 3.69Å; V84-L89 HydrophobicContact CG2-CD2 4.48Å
85	E	94.9	Very high	94.7	Very high	140 Å²	140	71 Å²	71	65%	0.654	39%	0.387	S	S	*	.			trans	-57.9	137.3	174.7	-64	-179.5	171.7	0	0	111.9	Q87 R88 L89	E85-Q87 VanDerWaalsContact C-N 3.27Å; E85-Q87 PolarHBondContact O-N 2.98Å; E85-R88 HydrophobicContact CB-CB 4.25Å; E85-R88 WeakPolarHBondContact O-CA 3.44Å; E85-R88 WeakPolarHBondContact O-CB 3.41Å; E85-R88 PolarHBondContact O-N 3.5Å; E85-L89 PolarHBondContact O-N 2.91Å; E85-L89 VanDerWaalsContact O-N 3.1Å
86	Q	93.6	Very high	94.6	Very high	167 Å²	167	75.3 Å²	75.3	78%	0.78	41%	0.406	S	S	*	.	H	α-helix	trans	-59.3	-37.5	-178.6	-70.9	-171.8	-4.2	0	0	112.6	V84 R88 L89 A90	V84-Q86 PolarHBondContact O-N 2.73Å; Q86-R88 PolarHBondContact O-N 2.89Å; Q86-L89 PolarHBondContact O-N 3.37Å; Q86-A90 PolarHBondContact O-N 3.44Å; Q86-A90 VanDerWaalsContact O-N 3.07Å
87	Q	94.9	Very high	94.7	Very high	146 Å²	146	75.9 Å²	75.9	68%	0.682	41%	0.408	S	S	*	.	H	α-helix	trans	-60.9	-37.1	175	-65.1	95.2	-16.9	0	0	111.4	E85 A90 A91	E85-Q87 VanDerWaalsContact C-N 3.27Å; E85-Q87 PolarHBondContact O-N 2.98Å; Q87-A90 PolarHBondContact O-N 3.29Å; Q87-A91 WeakPolarHBondContact O-CB 3.28Å; Q87-A91 PolarHBondContact O-N 3.34Å
88	R	94.9	Very high	94.8	Very high	82 Å²	82	72.7 Å²	72.7	31%	0.309	37%	0.373	S	S	.	.	H	α-helix	trans	-70.2	-37.5	179.8	-174.7	55.2	172.5	136.7	-0.8	112.2	L76 V84 E85 Q86 A90 A91 E97	L76-R88 HydrophobicContact CD1-CG 4.39Å; L76-R88 HydrophobicContact CD2-CG 4.35Å; V84-R88 HydrophobicContact CG1-CB 4.01Å; V84-R88 HydrophobicContact CG1-CG 4.06Å; E85-R88 HydrophobicContact CB-CB 4.25Å; E85-R88 WeakPolarHBondContact O-CA 3.44Å; E85-R88 WeakPolarHBondContact O-CB 3.41Å; E85-R88 PolarHBondContact O-N 3.5Å; Q86-R88 PolarHBondContact O-N 2.89Å; R88-A90 VanDerWaalsContact C-N 3.32Å; R88-A91 PolarHBondContact O-N 3.41Å; R88-E97 IonicContact CZ-OE1 3.5Å; R88-E97 IonicContact NH1-OE1 2.84Å; R88-E97 IonicContact NH2-OE1 2.81Å; R88-E97 PolarHBondContact NH2-OE1 3.18Å; R88-E97 IonicContact NH2-OE2 2.59Å
89	L	94.3	Very high	94.8	Very high	20 Å²	20	76 Å²	76	11%	0.105	39%	0.385	C	S	.	.	H	α-helix	trans	-65.7	-35	174.2	-68.4	175.8	0	0	0	112.9	A45 L46 L76 I81 V84 E85 Q86	A45-L89 HydrophobicContact CB-CD2 4.17Å; A45-L89 PolarHBondContact N-O 2.86Å; L46-L89 HydrophobicContact CD1-CB 4.46Å; L46-L89 HydrophobicContact CD2-CB 4.28Å; L46-L89 HydrophobicContact CG-CB 4.09Å; L46-L89 PolarHBondContact N-O 3.07Å; L76-L89 HydrophobicContact CD1-CD2 3.99Å; I81-L89 HydrophobicContact CD1-CD2 3.56Å; I81-L89 HydrophobicContact CG1-CD1 4.43Å; I81-L89 HydrophobicContact CG1-CD2 4.23Å; V84-L89 HydrophobicContact CB-CD1 4.34Å; V84-L89 HydrophobicContact CB-CD2 3.98Å; V84-L89 HydrophobicContact CB-CG 4.03Å; V84-L89 HydrophobicContact CG1-CD2 3.68Å; V84-L89 HydrophobicContact CG1-CG 3.69Å; V84-L89 HydrophobicContact CG2-CD2 4.48Å; E85-L89 PolarHBondContact O-N 2.91Å; E85-L89 VanDerWaalsContact O-N 3.1Å; Q86-L89 PolarHBondContact O-N 3.37Å
90	A	95.2	Very high	95.1	Very high	59 Å²	59	74.2 Å²	74.2	49%	0.488	38%	0.378	S	S	.	.	H	α-helix	trans	-83.5	-15.9	178.3	0	0	0	0	0	113.8	T44 Q86 Q87 R88	T44-A90 WeakPolarHBondContact CG2-O 3.14Å; Q86-A90 PolarHBondContact O-N 3.44Å; Q86-A90 VanDerWaalsContact O-N 3.07Å; Q87-A90 PolarHBondContact O-N 3.29Å; R88-A90 VanDerWaalsContact C-N 3.32Å
91	A	94.6	Very high	95.3	Very high	38 Å²	38	71.8 Å²	71.8	31%	0.314	36%	0.364	S	S	.	.	S	Bend	trans	-69.7	150	177.7	0	0	0	0	0	111.7	T44 Q87 R88 L93	T44-A91 WeakPolarHBondContact CA-O 3.11Å; Q87-A91 WeakPolarHBondContact O-CB 3.28Å; Q87-A91 PolarHBondContact O-N 3.34Å; R88-A91 PolarHBondContact O-N 3.41Å; A91-L93 PolarHBondContact O-N 3.37Å
92	L	97.1	Very high	95.5	Very high	94 Å²	94	71.6 Å²	71.6	49%	0.492	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-65.7	133	171.9	-67.1	173.3	0	0	0	109.8	Q42 T44	Q42-L92 HydrophobicContact CB-CB 4.29Å; Q42-L92 HydrophobicContact CB-CD1 4.27Å; Q42-L92 HydrophobicContact CB-CD2 4.04Å; Q42-L92 HydrophobicContact CB-CG 4.43Å; T44-L92 HydrophobicContact CG2-CD2 4.08Å
93	L	96.6	Very high	95.6	Very high	1 Å²	1	70.3 Å²	70.3	1%	0.005	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-72.1	142.1	169.6	-63.3	179.6	0	0	0	109.5	I43 A45 A48 L75 L76 A91 E97 V101	I43-L93 WeakPolarHBondContact O-CB 3.36Å; I43-L93 PolarHBondContact O-N 2.63Å; A45-L93 HydrophobicContact CB-CD2 4.25Å; A48-L93 HydrophobicContact CB-CD1 4.32Å; L75-L93 HydrophobicContact CD2-CD2 4.29Å; L76-L93 HydrophobicContact CD2-CD2 4.16Å; A91-L93 PolarHBondContact O-N 3.37Å; L93-E97 HydrophobicContact CB-CB 4.07Å; L93-E97 HydrophobicContact CD2-CB 4.25Å; L93-V101 HydrophobicContact CD1-CG2 4.46Å
94	S	95.8	Very high	95.8	Very high	38 Å²	38	67 Å²	67	27%	0.266	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-60.8	166.8	164.9	62.7	0	0	0	0	110.9	E96 E97 T98	S94-E96 VanDerWaalsContact C-N 3.28Å; S94-E96 PolarHBondContact O-N 3.32Å; S94-E97 WeakPolarHBondContact CB-OE2 3.36Å; S94-E97 PolarHBondContact N-OE2 2.95Å; S94-E97 PolarHBondContact O-N 2.73Å; S94-E97 VanDerWaalsContact OG-CB 3.3Å; S94-E97 WeakPolarHBondContact OG-CB 3.4Å; S94-E97 WeakPolarHBondContact OG-CG 3.43Å; S94-E97 PolarHBondContact OG-N 2.92Å; S94-E97 VanDerWaalsContact OG-N 3.17Å; S94-E97 PolarHBondContact OG-OE2 3.11Å; S94-T98 WeakPolarHBondContact O-CB 3.48Å; S94-T98 PolarHBondContact O-N 2.87Å; S94-T98 PolarHBondContact O-OG1 3.22Å
95	K	94.9	Very high	95.9	Very high	138 Å²	138	66.3 Å²	66.3	60%	0.6	32%	0.323	S	S	*	.	H	α-helix	trans	-64.3	-40.2	177.5	-173.9	-178.1	178.2	-176.2	0	110.6	T98 Q99	K95-T98 PolarHBondContact O-N 3.33Å; K95-Q99 WeakPolarHBondContact O-CB 3.32Å; K95-Q99 VanDerWaalsContact O-CG 3.29Å; K95-Q99 WeakPolarHBondContact O-CG 3.22Å; K95-Q99 PolarHBondContact O-N 2.91Å
96	E	95.3	Very high	96	Very high	125 Å²	125	61.5 Å²	61.5	58%	0.584	31%	0.305	S	S	*	.	H	α-helix	trans	-65.1	-45.7	179.8	-65.7	65	-141.8	0	0	110.7	S94 Q99 Q100	S94-E96 VanDerWaalsContact C-N 3.28Å; S94-E96 PolarHBondContact O-N 3.32Å; E96-Q99 PolarHBondContact O-N 2.92Å; E96-Q100 WeakPolarHBondContact O-CB 3.4Å; E96-Q100 PolarHBondContact O-N 3.27Å
97	E	96.4	Very high	96.1	Very high	41 Å²	41	56.2 Å²	56.2	19%	0.192	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-45	174.5	-76.5	165.3	151.5	0	0	112	L75 R88 L93 S94 Q99 Q100 V101	L75-E97 HydrophobicContact CD2-CB 3.99Å; L75-E97 HydrophobicContact CD2-CG 4.3Å; R88-E97 IonicContact CZ-OE1 3.5Å; R88-E97 IonicContact NH1-OE1 2.84Å; R88-E97 IonicContact NH2-OE1 2.81Å; R88-E97 PolarHBondContact NH2-OE1 3.18Å; R88-E97 IonicContact NH2-OE2 2.59Å; L93-E97 HydrophobicContact CB-CB 4.07Å; L93-E97 HydrophobicContact CD2-CB 4.25Å; S94-E97 WeakPolarHBondContact CB-OE2 3.36Å; S94-E97 PolarHBondContact N-OE2 2.95Å; S94-E97 PolarHBondContact O-N 2.73Å; S94-E97 VanDerWaalsContact OG-CB 3.3Å; S94-E97 WeakPolarHBondContact OG-CB 3.4Å; S94-E97 WeakPolarHBondContact OG-CG 3.43Å; S94-E97 PolarHBondContact OG-N 2.92Å; S94-E97 VanDerWaalsContact OG-N 3.17Å; S94-E97 PolarHBondContact OG-OE2 3.11Å; E97-Q99 VanDerWaalsContact C-N 3.34Å; E97-Q99 PolarHBondContact O-N 2.99Å; E97-Q100 PolarHBondContact O-N 3.37Å; E97-V101 WeakPolarHBondContact O-CG2 3.4Å; E97-V101 PolarHBondContact O-N 2.97Å
98	T	96.7	Very high	96.3	Very high	9 Å²	9	49.5 Å²	49.5	6%	0.055	25%	0.248	C	C	.	.	H	α-helix	trans	-60.5	-44.8	177.5	-57.4	0	0	0	0	110.9	L38 P39 I43 S94 K95 Q100 V101 W102	L38-T98 HydrophobicContact CD2-CG2 4.15Å; P39-T98 HydrophobicContact CG-CG2 3.67Å; I43-T98 HydrophobicContact CG1-CG2 4.49Å; S94-T98 WeakPolarHBondContact O-CB 3.48Å; S94-T98 PolarHBondContact O-N 2.87Å; S94-T98 PolarHBondContact O-OG1 3.22Å; K95-T98 PolarHBondContact O-N 3.33Å; T98-Q100 VanDerWaalsContact C-N 3.32Å; T98-Q100 PolarHBondContact O-N 3.13Å; T98-V101 PolarHBondContact O-N 2.85Å; T98-W102 HydrophobicContact CG2-CE3 3.95Å; T98-W102 HydrophobicContact CG2-CZ3 4Å; T98-W102 VanDerWaalsContact O-CE3 3.32Å; T98-W102 PolarHBondContact O-N 2.86Å
99	Q	95.9	Very high	96.3	Very high	89 Å²	89	46.3 Å²	46.3	42%	0.416	24%	0.237	S	C	.	.	H	α-helix	trans	-62	-41	175.9	-75.4	175.6	-12.7	0	0	112	L38 K95 E96 E97 W102 R103	L38-Q99 HydrophobicContact CD1-CG 4.27Å; L38-Q99 HydrophobicContact CD2-CG 4.33Å; K95-Q99 WeakPolarHBondContact O-CB 3.32Å; K95-Q99 VanDerWaalsContact O-CG 3.29Å; K95-Q99 WeakPolarHBondContact O-CG 3.22Å; K95-Q99 PolarHBondContact O-N 2.91Å; E96-Q99 PolarHBondContact O-N 2.92Å; E97-Q99 VanDerWaalsContact C-N 3.34Å; E97-Q99 PolarHBondContact O-N 2.99Å; Q99-W102 PolarHBondContact O-N 3.23Å; Q99-R103 WeakPolarHBondContact O-CB 3.42Å; Q99-R103 PolarHBondContact O-N 2.93Å
100	Q	96.6	Very high	96.4	Very high	68 Å²	68	48.2 Å²	48.2	32%	0.318	25%	0.252	S	S	.	.	H	α-helix	trans	-64.8	-45.9	178.6	-177.8	71.3	-18.7	0	0	111.7	L75 E96 E97 T98 W102 R103 L104	L75-Q100 HydrophobicContact CD1-CB 3.62Å; L75-Q100 HydrophobicContact CD1-CG 3.38Å; E96-Q100 WeakPolarHBondContact O-CB 3.4Å; E96-Q100 PolarHBondContact O-N 3.27Å; E97-Q100 PolarHBondContact O-N 3.37Å; T98-Q100 VanDerWaalsContact C-N 3.32Å; T98-Q100 PolarHBondContact O-N 3.13Å; Q100-W102 VanDerWaalsContact C-N 3.31Å; Q100-W102 PolarHBondContact O-N 3.36Å; Q100-R103 WeakPolarHBondContact O-CB 3.13Å; Q100-R103 PolarHBondContact O-N 3.28Å; Q100-R103 VanDerWaalsContact OE1-CZ 3.28Å; Q100-L104 HydrophobicContact CG-CD1 4.23Å; Q100-L104 WeakPolarHBondContact O-CG 3.43Å; Q100-L104 PolarHBondContact O-N 2.91Å
101	V	96.6	Very high	96.4	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-56.8	-47.7	173.4	171.6	0	0	0	0	110.6	A48 I72 L75 L93 E97 T98 R103 L104 C105	A48-V101 HydrophobicContact CB-CG1 4.35Å; I72-V101 HydrophobicContact CD1-CB 4.29Å; I72-V101 HydrophobicContact CD1-CG1 3.61Å; I72-V101 HydrophobicContact CD1-CG2 3.59Å; L75-V101 HydrophobicContact CB-CG2 4.42Å; L75-V101 HydrophobicContact CD1-CG2 4.14Å; L75-V101 HydrophobicContact CD2-CG2 3.26Å; L75-V101 HydrophobicContact CG-CG2 4.11Å; L93-V101 HydrophobicContact CD1-CG2 4.46Å; E97-V101 WeakPolarHBondContact O-CG2 3.4Å; E97-V101 PolarHBondContact O-N 2.97Å; T98-V101 PolarHBondContact O-N 2.85Å; V101-R103 VanDerWaalsContact C-N 3.28Å; V101-R103 PolarHBondContact O-N 3.17Å; V101-L104 PolarHBondContact O-N 3.43Å; V101-C105 WeakPolarHBondContact O-CB 3.42Å; V101-C105 PolarHBondContact O-N 3.48Å; V101-C105 PolarHBondContact O-SG 3.4Å; V101-C105 VanDerWaalsContact O-SG 3.4Å
102	W	96.7	Very high	96.6	Very high	16 Å²	16	47.3 Å²	47.3	6%	0.061	23%	0.229	C	C	.	.	H	α-helix	trans	-60.2	-41.3	-180	-104.8	-112.2	0	0	0	112	P36 A37 L38 P39 I43 A48 V51 W52 T98 Q99 Q100 S106	P36-W102 HydrophobicContact CG-CZ2 4.43Å; P36-W102 VanDerWaalsContact O-CD1 3.28Å; P36-W102 PolarHBondContact O-NE1 3.47Å; A37-W102 PolarHBondContact O-NE1 3.03Å; L38-W102 HydrophobicContact CD2-CB 3.81Å; L38-W102 HydrophobicContact CD2-CD2 3.89Å; L38-W102 HydrophobicContact CD2-CE3 4.49Å; L38-W102 HydrophobicContact CD2-CG 3.54Å; L38-W102 HydrophobicContact CG-CG 4.23Å; P39-W102 HydrophobicContact CG-CH2 4.11Å; P39-W102 HydrophobicContact CG-CZ2 4.36Å; I43-W102 HydrophobicContact CD1-CH2 3.59Å; I43-W102 HydrophobicContact CD1-CZ3 3.64Å; A48-W102 HydrophobicContact CB-CZ3 4.38Å; V51-W102 HydrophobicContact CG1-CH2 4.27Å; V51-W102 HydrophobicContact CG1-CZ2 4.17Å; W52-W102 HydrophobicContact CZ2-CB 4.22Å; W52-W102 AromaticContact CZ2-CD1 3.69Å; W52-W102 AromaticContact CZ2-CD2 3.82Å; W52-W102 HydrophobicContact CZ2-CD2 3.82Å; W52-W102 AromaticContact CZ2-CE2 3.93Å; W52-W102 HydrophobicContact CZ2-CE3 4.47Å; W52-W102 AromaticContact CZ2-CG 3.68Å; W52-W102 HydrophobicContact CZ2-CG 3.68Å; W52-W102 AromaticContact CZ2-NE1 3.85Å; W52-W102 AromaticContact NE1-CD2 3.59Å; W52-W102 AromaticContact NE1-CE2 3.84Å; W52-W102 AromaticContact NE1-CE3 3.4Å; W52-W102 AromaticContact NE1-CH2 3.78Å; W52-W102 AromaticContact NE1-CZ2 3.94Å; W52-W102 AromaticContact NE1-CZ3 3.5Å; T98-W102 HydrophobicContact CG2-CE3 3.95Å; T98-W102 HydrophobicContact CG2-CZ3 4Å; T98-W102 VanDerWaalsContact O-CE3 3.32Å; T98-W102 PolarHBondContact O-N 2.86Å; Q99-W102 PolarHBondContact O-N 3.23Å; Q100-W102 VanDerWaalsContact C-N 3.31Å; Q100-W102 PolarHBondContact O-N 3.36Å; W102-S106 WeakPolarHBondContact O-CB 3.1Å; W102-S106 PolarHBondContact O-N 2.88Å; W102-S106 PolarHBondContact O-OG 3.45Å
103	R	97.3	Very high	96.6	Very high	117 Å²	117	43.1 Å²	43.1	44%	0.442	21%	0.208	S	C	.	.	H	α-helix	trans	-63.5	-48.8	177.1	-172.5	-177.5	68.2	87.6	6.6	111.7	Q99 Q100 V101 S106 K107	Q99-R103 WeakPolarHBondContact O-CB 3.42Å; Q99-R103 PolarHBondContact O-N 2.93Å; Q100-R103 WeakPolarHBondContact O-CB 3.13Å; Q100-R103 PolarHBondContact O-N 3.28Å; Q100-R103 VanDerWaalsContact OE1-CZ 3.28Å; V101-R103 VanDerWaalsContact C-N 3.28Å; V101-R103 PolarHBondContact O-N 3.17Å; R103-S106 PolarHBondContact O-N 3.06Å; R103-K107 PolarHBondContact O-N 3.19Å
104	L	97.9	Very high	96.6	Very high	4 Å²	4	43.3 Å²	43.3	2%	0.021	21%	0.209	C	C	.	.	H	α-helix	trans	-65.6	-46.7	-179.4	-65.6	178.4	0	0	0	111.4	I71 Q100 V101 S106 K107 R108 I117	I71-L104 HydrophobicContact CG2-CB 3.58Å; I71-L104 HydrophobicContact CG2-CD1 3.97Å; I71-L104 HydrophobicContact CG2-CG 4.44Å; Q100-L104 HydrophobicContact CG-CD1 4.23Å; Q100-L104 WeakPolarHBondContact O-CG 3.43Å; Q100-L104 PolarHBondContact O-N 2.91Å; V101-L104 PolarHBondContact O-N 3.43Å; L104-S106 VanDerWaalsContact C-N 3.28Å; L104-S106 PolarHBondContact O-N 3.43Å; L104-K107 WeakPolarHBondContact O-CB 3.48Å; L104-K107 PolarHBondContact O-N 3.39Å; L104-K107 VanDerWaalsContact O-N 3.13Å; L104-R108 PolarHBondContact O-N 2.92Å; L104-R108 VanDerWaalsContact O-N 3.13Å; L104-I117 HydrophobicContact CB-CG2 3.75Å; L104-I117 HydrophobicContact CD2-CG2 3.73Å; L104-I117 HydrophobicContact CG-CG2 4.25Å
105	C	97.7	Very high	96.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-66.6	-29.8	177.2	-68.5	0	0	0	0	112.9	W52 F56 V101 K107 R108 L109	W52-C105 HydrophobicContact CD2-CB 3.18Å; W52-C105 HydrophobicContact CE3-CB 3.34Å; W52-C105 HydrophobicContact CG-CB 3.74Å; W52-C105 VanDerWaalsContact CG-SG 3.53Å; W52-C105 HydrophobicContact CH2-CB 3.61Å; W52-C105 HydrophobicContact CZ2-CB 3.55Å; W52-C105 HydrophobicContact CZ3-CB 3.53Å; F56-C105 HydrophobicContact CE1-CB 4.37Å; F56-C105 WeakPolarHBondContact CE1-O 3.31Å; F56-C105 HydrophobicContact CZ-CB 3.76Å; V101-C105 WeakPolarHBondContact O-CB 3.42Å; V101-C105 PolarHBondContact O-N 3.48Å; V101-C105 PolarHBondContact O-SG 3.4Å; V101-C105 VanDerWaalsContact O-SG 3.4Å; C105-K107 VanDerWaalsContact C-N 3.34Å; C105-R108 WeakPolarHBondContact O-CB 3.37Å; C105-R108 PolarHBondContact O-N 3.2Å; C105-R108 VanDerWaalsContact O-N 3.16Å; C105-L109 WeakPolarHBondContact O-CB 3.32Å; C105-L109 PolarHBondContact O-N 2.86Å
106	S	96.6	Very high	96.9	Very high	40 Å²	40	36.2 Å²	36.2	28%	0.28	17%	0.174	S	C	.	.	H	α-helix	trans	-64.8	-37	172.3	-62.9	0	0	0	0	112.1	A35 W102 R103 L104 R108 L109 S110	A35-S106 VanDerWaalsContact CB-OG 3.32Å; A35-S106 WeakPolarHBondContact CB-OG 3.39Å; W102-S106 WeakPolarHBondContact O-CB 3.1Å; W102-S106 PolarHBondContact O-N 2.88Å; W102-S106 PolarHBondContact O-OG 3.45Å; R103-S106 PolarHBondContact O-N 3.06Å; L104-S106 VanDerWaalsContact C-N 3.28Å; L104-S106 PolarHBondContact O-N 3.43Å; S106-R108 VanDerWaalsContact C-N 3.34Å; S106-L109 WeakPolarHBondContact O-CB 3.28Å; S106-L109 PolarHBondContact O-N 2.88Å; S106-S110 PolarHBondContact O-N 3.19Å; S106-S110 VanDerWaalsContact O-N 3.13Å
107	K	97.1	Very high	97	Very high	55 Å²	55	30.4 Å²	30.4	24%	0.239	15%	0.147	C	C	.	.	H	α-helix	trans	-62.6	-41.3	170.1	-64.5	178.5	173.2	-170.8	0	111.2	R103 L104 C105 L109 S110 M112 I117	R103-K107 PolarHBondContact O-N 3.19Å; L104-K107 WeakPolarHBondContact O-CB 3.48Å; L104-K107 PolarHBondContact O-N 3.39Å; L104-K107 VanDerWaalsContact O-N 3.13Å; C105-K107 VanDerWaalsContact C-N 3.34Å; K107-L109 VanDerWaalsContact C-N 3.3Å; K107-L109 PolarHBondContact O-N 3.01Å; K107-S110 PolarHBondContact O-N 2.89Å; K107-S110 PolarHBondContact O-OG 3.21Å; K107-M112 HydrophobicContact CB-CB 4.38Å; K107-M112 HydrophobicContact CB-SD 4.05Å; K107-M112 HydrophobicContact CD-SD 4.01Å; K107-M112 HydrophobicContact CG-SD 4.44Å; K107-M112 VanDerWaalsContact O-CB 3.22Å; K107-M112 WeakPolarHBondContact O-CB 3.11Å; K107-M112 PolarHBondContact O-N 2.92Å; K107-M112 VanDerWaalsContact O-N 3.17Å; K107-I117 HydrophobicContact CB-CD1 3.94Å; K107-I117 HydrophobicContact CB-CG1 3.89Å; K107-I117 HydrophobicContact CD-CG1 4.4Å
108	R	97.7	Very high	97	Very high	5 Å²	5	29.1 Å²	29.1	2%	0.019	14%	0.141	C	C	.	.	H	α-helix	trans	-62.8	-40.7	176.3	-175.7	68.1	-164.7	104.7	0.4	111.2	F56 V61 T62 S67 I71 L104 C105 S106 S110 R111 M112 I117 E256	F56-R108 HydrophobicContact CD1-CG 4.28Å; F56-R108 HydrophobicContact CE1-CB 3.74Å; F56-R108 HydrophobicContact CE1-CG 3.7Å; F56-R108 HydrophobicContact CE2-CB 4.5Å; F56-R108 HydrophobicContact CE2-CG 4.06Å; F56-R108 HydrophobicContact CZ-CB 3.62Å; F56-R108 HydrophobicContact CZ-CG 3.58Å; V61-R108 HydrophobicContact CG1-CG 4.01Å; T62-R108 PolarHBondContact O-NH2 2.96Å; T62-R108 PolarHBondContact OG1-NH2 3.19Å; S67-R108 PolarHBondContact OG-NE 2.93Å; I71-R108 HydrophobicContact CD1-CB 4.01Å; L104-R108 PolarHBondContact O-N 2.92Å; L104-R108 VanDerWaalsContact O-N 3.13Å; C105-R108 WeakPolarHBondContact O-CB 3.37Å; C105-R108 PolarHBondContact O-N 3.2Å; C105-R108 VanDerWaalsContact O-N 3.16Å; S106-R108 VanDerWaalsContact C-N 3.34Å; R108-S110 PolarHBondContact O-N 3.09Å; R108-R111 WeakPolarHBondContact O-CA 3.45Å; R108-R111 PolarHBondContact O-N 2.93Å; R108-M112 VanDerWaalsContact CD-O 3.3Å; R108-M112 WeakPolarHBondContact CD-O 3.38Å; R108-M112 PolarHBondContact NH1-O 2.86Å; R108-M112 VanDerWaalsContact NH1-O 3.11Å; R108-I117 HydrophobicContact CB-CD1 3.47Å; R108-I117 VanDerWaalsContact CB-CD1 3.47Å; R108-I117 HydrophobicContact CG-CD1 4.33Å; R108-E256 IonicContact CZ-OE1 2.78Å; R108-E256 IonicContact NH1-OE1 3.24Å; R108-E256 PolarHBondContact NH1-OE1 2.84Å; R108-E256 IonicContact NH2-OE1 3.44Å; R108-E256 PolarHBondContact NH2-OE1 2.96Å
109	L	96.1	Very high	97	Very high	15 Å²	15	33.8 Å²	33.8	8%	0.079	16%	0.162	C	C	.	.	H	α-helix	trans	-61.7	-31.6	176.9	-164.6	67.2	0	0	0	112.4	A35 F56 N59 V61 C105 S106 K107 R111	A35-L109 HydrophobicContact CB-CD2 4.43Å; F56-L109 HydrophobicContact CD1-CD1 4.16Å; F56-L109 HydrophobicContact CE1-CB 4.37Å; N59-L109 HydrophobicContact CB-CD1 3.66Å; V61-L109 HydrophobicContact CG2-CD1 4.28Å; C105-L109 WeakPolarHBondContact O-CB 3.32Å; C105-L109 PolarHBondContact O-N 2.86Å; S106-L109 WeakPolarHBondContact O-CB 3.28Å; S106-L109 PolarHBondContact O-N 2.88Å; K107-L109 VanDerWaalsContact C-N 3.3Å; K107-L109 PolarHBondContact O-N 3.01Å; L109-R111 PolarHBondContact O-N 3.37Å; L109-R111 VanDerWaalsContact O-N 3.16Å
110	S	95.2	Very high	97	Very high	60 Å²	60	31.9 Å²	31.9	42%	0.42	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	10.1	171.7	70.8	0	0	0	0	114.2	S106 K107 R108 M112	S106-S110 PolarHBondContact O-N 3.19Å; S106-S110 VanDerWaalsContact O-N 3.13Å; K107-S110 PolarHBondContact O-N 2.89Å; K107-S110 PolarHBondContact O-OG 3.21Å; R108-S110 PolarHBondContact O-N 3.09Å; S110-M112 VanDerWaalsContact C-N 3.35Å
111	R	96.4	Very high	97	Very high	45 Å²	45	30.5 Å²	30.5	17%	0.17	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	14.5	-178.2	-45.7	-48.7	-159.4	117.8	-6.4	114.9	N59 G60 R108 L109 P113 P255 E256 F260	N59-R111 PolarHBondContact O-NH2 3.28Å; G60-R111 PolarHBondContact O-NH1 3.18Å; G60-R111 PolarHBondContact O-NH2 3.05Å; R108-R111 WeakPolarHBondContact O-CA 3.45Å; R108-R111 PolarHBondContact O-N 2.93Å; L109-R111 PolarHBondContact O-N 3.37Å; L109-R111 VanDerWaalsContact O-N 3.16Å; R111-P113 WeakPolarHBondContact O-CD 3.23Å; R111-P255 HydrophobicContact CB-CB 3.97Å; R111-P255 HydrophobicContact CG-CB 3.86Å; R111-E256 HydrophobicContact CB-CG 4.42Å; R111-E256 WeakPolarHBondContact CD-OE1 3.41Å; R111-E256 IonicContact CZ-OE1 2.72Å; R111-E256 IonicContact NH1-OE1 3.38Å; R111-E256 PolarHBondContact NH1-OE1 2.87Å; R111-E256 IonicContact NH1-OE2 2.86Å; R111-E256 VanDerWaalsContact O-CA 3.32Å; R111-E256 WeakPolarHBondContact O-CA 2.98Å; R111-E256 WeakPolarHBondContact O-CG 3.3Å; R111-F260 HydrophobicContact CB-CE2 4.24Å; R111-F260 WeakPolarHBondContact O-CD2 3.18Å; R111-F260 WeakPolarHBondContact O-CE2 3.2Å
112	M	97.7	Very high	97	Very high	33 Å²	33	33.6 Å²	33.6	16%	0.163	16%	0.162	C	C	.	.			trans	-65.3	131.9	173.6	-173.3	176.4	-76.8	0	0	109.2	K107 R108 S110 F116 I117 F260	K107-M112 HydrophobicContact CB-CB 4.38Å; K107-M112 HydrophobicContact CB-SD 4.05Å; K107-M112 HydrophobicContact CD-SD 4.01Å; K107-M112 HydrophobicContact CG-SD 4.44Å; K107-M112 VanDerWaalsContact O-CB 3.22Å; K107-M112 WeakPolarHBondContact O-CB 3.11Å; K107-M112 PolarHBondContact O-N 2.92Å; K107-M112 VanDerWaalsContact O-N 3.17Å; R108-M112 VanDerWaalsContact CD-O 3.3Å; R108-M112 WeakPolarHBondContact CD-O 3.38Å; R108-M112 PolarHBondContact NH1-O 2.86Å; R108-M112 VanDerWaalsContact NH1-O 3.11Å; S110-M112 VanDerWaalsContact C-N 3.35Å; M112-F116 HydrophobicContact CG-CB 4Å; M112-F116 HydrophobicContact SD-CB 4.29Å; M112-I117 HydrophobicContact CB-CD1 4.1Å; M112-I117 HydrophobicContact CB-CG1 4.07Å; M112-I117 HydrophobicContact CG-CD1 4.34Å; M112-I117 HydrophobicContact CG-CG1 3.79Å; M112-I117 HydrophobicContact SD-CG1 3.7Å; M112-F260 VanDerWaalsContact CA-CE2 3.48Å; M112-F260 HydrophobicContact CB-CD1 4.33Å; M112-F260 HydrophobicContact CB-CE1 3.87Å; M112-F260 HydrophobicContact CB-CE2 4.22Å; M112-F260 HydrophobicContact CB-CZ 3.81Å; M112-F260 HydrophobicContact CE-CD1 4.12Å; M112-F260 HydrophobicContact CE-CE1 3.61Å; M112-F260 HydrophobicContact CE-CZ 4.49Å; M112-F260 HydrophobicContact CG-CD1 4.09Å; M112-F260 HydrophobicContact CG-CE1 4Å; M112-F260 HydrophobicContact CG-CZ 4.43Å
113	P	97.6	Very high	97	Very high	7 Å²	7	32.9 Å²	32.9	5%	0.045	16%	0.159	C	C	.	.			trans	-54.5	142.2	172.5	-27.6	34	0	0	0	111.9	R111 Q115 F116 I117 I136 E256 F260	R111-P113 WeakPolarHBondContact O-CD 3.23Å; P113-Q115 PolarHBondContact O-N 3.47Å; P113-F116 HydrophobicContact CB-CD2 4.08Å; P113-F116 HydrophobicContact CB-CG 4.49Å; P113-F116 HydrophobicContact CG-CD2 3.84Å; P113-F116 HydrophobicContact CG-CE2 4.03Å; P113-F116 PolarHBondContact O-N 3.3Å; P113-F116 VanDerWaalsContact O-N 3.13Å; P113-I117 WeakPolarHBondContact O-CG1 3.38Å; P113-I117 PolarHBondContact O-N 3.13Å; P113-I136 HydrophobicContact CB-CD1 3.48Å; P113-I136 VanDerWaalsContact CB-CD1 3.48Å; P113-I136 HydrophobicContact CG-CD1 3.85Å; P113-E256 HydrophobicContact CG-CB 4.4Å; P113-E256 WeakPolarHBondContact CG-O 3.25Å; P113-F260 HydrophobicContact CG-CB 4.16Å
114	V	97.1	Very high	97	Very high	5 Å²	5	30.8 Å²	30.8	3%	0.03	15%	0.151	C	C	.	.	H	α-helix	trans	-61.6	-32.6	-177.4	69.1	0	0	0	0	112	Y70 I71 F116 I117 I118 W121	Y70-V114 HydrophobicContact CD2-CG1 4.34Å; I71-V114 HydrophobicContact CG1-CG2 4.03Å; V114-F116 VanDerWaalsContact C-N 3.31Å; V114-F116 PolarHBondContact O-N 3.38Å; V114-I117 WeakPolarHBondContact O-CA 3.3Å; V114-I117 WeakPolarHBondContact O-CB 3.38Å; V114-I117 PolarHBondContact O-N 3.14Å; V114-I118 HydrophobicContact CG2-CG2 4.22Å; V114-I118 WeakPolarHBondContact O-CG1 3.4Å; V114-I118 PolarHBondContact O-N 3.45Å; V114-W121 HydrophobicContact CG1-CZ3 4.45Å
115	Q	97.6	Very high	96.8	Very high	22 Å²	22	35 Å²	35	10%	0.103	17%	0.174	C	C	.	.	H	α-helix	trans	-58.9	-39.3	176.9	-59.1	86.8	-15.8	0	0	112.2	P113 E119 E120 W121 M130 I136	P113-Q115 PolarHBondContact O-N 3.47Å; Q115-E119 VanDerWaalsContact O-CA 3.28Å; Q115-E119 WeakPolarHBondContact O-CA 3.26Å; Q115-E119 PolarHBondContact O-N 2.86Å; Q115-E120 PolarHBondContact O-N 2.8Å; Q115-W121 HydrophobicContact CB-CB 4.41Å; Q115-W121 HydrophobicContact CB-CD2 4.47Å; Q115-W121 HydrophobicContact CB-CE3 4.41Å; Q115-W121 HydrophobicContact CG-CB 4.14Å; Q115-W121 HydrophobicContact CG-CD2 3.37Å; Q115-W121 HydrophobicContact CG-CE3 3.4Å; Q115-W121 VanDerWaalsContact CG-CE3 3.4Å; Q115-W121 HydrophobicContact CG-CG 3.73Å; Q115-W121 HydrophobicContact CG-CH2 4.34Å; Q115-W121 HydrophobicContact CG-CZ2 4.34Å; Q115-W121 HydrophobicContact CG-CZ3 3.9Å; Q115-M130 HydrophobicContact CB-CB 4.45Å; Q115-M130 HydrophobicContact CB-CG 4.39Å; Q115-I136 HydrophobicContact CB-CD1 4.08Å; Q115-I136 HydrophobicContact CB-CG1 4.46Å; Q115-I136 HydrophobicContact CB-CG2 4.27Å; Q115-I136 HydrophobicContact CG-CD1 4.41Å; Q115-I136 HydrophobicContact CG-CG2 3.84Å
116	F	98.1	Very high	96.8	Very high	5 Å²	5	35.2 Å²	35.2	2%	0.022	18%	0.175	C	C	.	.	H	α-helix	trans	-79.2	-20.1	175.2	-63.9	-25.9	0	0	0	113.1	M112 P113 V114 M130 R131 P132 V134 I136 F260 E261	M112-F116 HydrophobicContact CG-CB 4Å; M112-F116 HydrophobicContact SD-CB 4.29Å; P113-F116 HydrophobicContact CB-CD2 4.08Å; P113-F116 HydrophobicContact CB-CG 4.49Å; P113-F116 HydrophobicContact CG-CD2 3.84Å; P113-F116 HydrophobicContact CG-CE2 4.03Å; P113-F116 PolarHBondContact O-N 3.3Å; P113-F116 VanDerWaalsContact O-N 3.13Å; V114-F116 VanDerWaalsContact C-N 3.31Å; V114-F116 PolarHBondContact O-N 3.38Å; F116-M130 HydrophobicContact CD1-CB 4.12Å; F116-M130 HydrophobicContact CE1-CB 4.43Å; F116-M130 HydrophobicContact CE1-CE 4.16Å; F116-R131 VanDerWaalsContact CE1-C 3.44Å; F116-P132 HydrophobicContact CD2-CB 3.95Å; F116-P132 HydrophobicContact CD2-CG 4.39Å; F116-P132 HydrophobicContact CE2-CB 3.9Å; F116-P132 HydrophobicContact CG-CB 4.39Å; F116-P132 HydrophobicContact CG-CG 4.47Å; F116-P132 HydrophobicContact CZ-CB 4.28Å; F116-V134 WeakPolarHBondContact CE1-O 3.43Å; F116-V134 VanDerWaalsContact CZ-O 3.24Å; F116-V134 WeakPolarHBondContact CZ-O 3.36Å; F116-I136 HydrophobicContact CD1-CD1 4.34Å; F116-I136 HydrophobicContact CD1-CG1 4.37Å; F116-I136 HydrophobicContact CD2-CD1 4.32Å; F116-I136 HydrophobicContact CE1-CD1 3.9Å; F116-I136 HydrophobicContact CE1-CG1 3.58Å; F116-I136 HydrophobicContact CE2-CD1 3.87Å; F116-I136 HydrophobicContact CE2-CG1 4.25Å; F116-I136 HydrophobicContact CZ-CD1 3.65Å; F116-I136 HydrophobicContact CZ-CG1 3.51Å; F116-F260 HydrophobicContact CD2-CB 4.02Å; F116-F260 HydrophobicContact CE2-CB 3.85Å; F116-F260 WeakPolarHBondContact CE2-O 3.26Å; F116-E261 HydrophobicContact CE2-CG 4.2Å; F116-E261 HydrophobicContact CZ-CG 4.21Å
117	I	97.8	Very high	96.8	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	17%	0.169	C	C	.	.	H	α-helix	trans	-78.9	-42.8	177.2	-65.1	170.1	0	0	0	110.7	I71 L104 K107 R108 M112 P113 V114	I71-I117 HydrophobicContact CD1-CG2 4.32Å; I71-I117 HydrophobicContact CG1-CG2 4.23Å; L104-I117 HydrophobicContact CB-CG2 3.75Å; L104-I117 HydrophobicContact CD2-CG2 3.73Å; L104-I117 HydrophobicContact CG-CG2 4.25Å; K107-I117 HydrophobicContact CB-CD1 3.94Å; K107-I117 HydrophobicContact CB-CG1 3.89Å; K107-I117 HydrophobicContact CD-CG1 4.4Å; R108-I117 HydrophobicContact CB-CD1 3.47Å; R108-I117 VanDerWaalsContact CB-CD1 3.47Å; R108-I117 HydrophobicContact CG-CD1 4.33Å; M112-I117 HydrophobicContact CB-CD1 4.1Å; M112-I117 HydrophobicContact CB-CG1 4.07Å; M112-I117 HydrophobicContact CG-CD1 4.34Å; M112-I117 HydrophobicContact CG-CG1 3.79Å; M112-I117 HydrophobicContact SD-CG1 3.7Å; P113-I117 WeakPolarHBondContact O-CG1 3.38Å; P113-I117 PolarHBondContact O-N 3.13Å; V114-I117 WeakPolarHBondContact O-CA 3.3Å; V114-I117 WeakPolarHBondContact O-CB 3.38Å; V114-I117 PolarHBondContact O-N 3.14Å
118	I	96.8	Very high	96.9	Very high	14 Å²	14	32 Å²	32	7%	0.072	16%	0.158	C	C	.	.	H	α-helix	trans	-87.4	-10.1	177.3	72.9	-172.9	0	0	0	112.4	H74 V114 E120	H74-I118 HydrophobicContact CB-CB 4.28Å; H74-I118 HydrophobicContact CB-CG2 3.87Å; H74-I118 PolarHBondContact CE1-O 2.78Å; H74-I118 VanDerWaalsContact CE1-O 3.31Å; V114-I118 HydrophobicContact CG2-CG2 4.22Å; V114-I118 WeakPolarHBondContact O-CG1 3.4Å; V114-I118 PolarHBondContact O-N 3.45Å; I118-E120 WeakPolarHBondContact CD1-O 3.26Å; I118-E120 HydrophobicContact CG1-CG 4.38Å; I118-E120 VanDerWaalsContact CG1-O 3.26Å; I118-E120 WeakPolarHBondContact CG1-O 3.44Å; I118-E120 PolarHBondContact O-N 2.77Å
119	E	97.6	Very high	96.9	Very high	108 Å²	108	34.2 Å²	34.2	51%	0.505	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.9	17.4	175	-58.5	174.1	-177.1	0	0	114.4	Q115 K129 M130	Q115-E119 VanDerWaalsContact O-CA 3.28Å; Q115-E119 WeakPolarHBondContact O-CA 3.26Å; Q115-E119 PolarHBondContact O-N 2.86Å; E119-K129 WeakPolarHBondContact O-CA 3.22Å; E119-K129 VanDerWaalsContact O-CD 3.29Å; E119-K129 WeakPolarHBondContact O-CD 3.4Å; E119-M130 CarbonylContact C-O 3.05Å; E119-M130 WeakPolarHBondContact CA-O 3.38Å; E119-M130 PolarHBondContact O-N 3.13Å
120	E	95.9	Very high	97	Very high	48 Å²	48	33.7 Å²	33.7	22%	0.224	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	158.6	175.5	61.5	-168.2	-155.8	0	0	112.4	Q115 I118 T127 L128 K129	Q115-E120 PolarHBondContact O-N 2.8Å; I118-E120 WeakPolarHBondContact CD1-O 3.26Å; I118-E120 HydrophobicContact CG1-CG 4.38Å; I118-E120 VanDerWaalsContact CG1-O 3.26Å; I118-E120 WeakPolarHBondContact CG1-O 3.44Å; I118-E120 PolarHBondContact O-N 2.77Å; E120-T127 HydrophobicContact CB-CG2 4.08Å; E120-T127 HydrophobicContact CG-CG2 4.32Å; E120-L128 CarbonylContact C-O 3.58Å; E120-L128 WeakPolarHBondContact CA-O 3.39Å; E120-L128 VanDerWaalsContact CB-O 3.31Å; E120-L128 WeakPolarHBondContact CB-O 3.39Å; E120-K129 HydrophobicContact CB-CD 4.37Å; E120-K129 IonicContact OE2-NZ 3.67Å; E120-K129 PolarHBondContact OE2-NZ 3.31Å
121	W	96.1	Very high	97.1	Very high	39 Å²	39	35 Å²	35	15%	0.148	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	138.3	177.6	-164.1	-124	0	0	0	110.9	W3 Y70 V114 Q115 L128 M130	W3-W121 HydrophobicContact CH2-CH2 4.47Å; W3-W121 HydrophobicContact CH2-CZ2 4.41Å; W3-W121 HydrophobicContact CZ2-CH2 4.36Å; W3-W121 HydrophobicContact CZ2-CZ2 4.26Å; Y70-W121 HydrophobicContact CE1-CZ3 4.47Å; Y70-W121 HydrophobicContact CE2-CH2 4.12Å; Y70-W121 HydrophobicContact CE2-CZ3 4.19Å; V114-W121 HydrophobicContact CG1-CZ3 4.45Å; Q115-W121 HydrophobicContact CB-CB 4.41Å; Q115-W121 HydrophobicContact CB-CD2 4.47Å; Q115-W121 HydrophobicContact CB-CE3 4.41Å; Q115-W121 HydrophobicContact CG-CB 4.14Å; Q115-W121 HydrophobicContact CG-CD2 3.37Å; Q115-W121 HydrophobicContact CG-CE3 3.4Å; Q115-W121 VanDerWaalsContact CG-CE3 3.4Å; Q115-W121 HydrophobicContact CG-CG 3.73Å; Q115-W121 HydrophobicContact CG-CH2 4.34Å; Q115-W121 HydrophobicContact CG-CZ2 4.34Å; Q115-W121 HydrophobicContact CG-CZ3 3.9Å; W121-L128 PolarHBondContact N-O 2.94Å; W121-L128 PolarHBondContact O-N 3.23Å; W121-M130 HydrophobicContact CB-CG 3.55Å; W121-M130 HydrophobicContact CB-SD 4.25Å
122	D	95.9	Very high	97	Very high	66 Å²	66	35.8 Å²	35.8	35%	0.353	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	129.5	173.7	-78.3	-11.2	0	0	0	108.9	K79 L126 T127	K79-D122 IonicContact NZ-OD1 3.92Å; K79-D122 PolarHBondContact NZ-OD1 3.03Å; K79-D122 IonicContact NZ-OD2 3.96Å; K79-D122 PolarHBondContact NZ-OD2 3.41Å; D122-L126 CarbonylContact C-O 3.55Å; D122-L126 VanDerWaalsContact CA-O 3.29Å; D122-L126 WeakPolarHBondContact CA-O 3.21Å; D122-T127 WeakPolarHBondContact OD1-CB 3.29Å; D122-T127 WeakPolarHBondContact OD1-CG2 3.13Å; D122-T127 PolarHBondContact OD1-OG1 3.48Å
123	F	97.8	Very high	97	Very high	1 Å²	1	36.2 Å²	36.2	0%	0.004	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	113.7	174.3	-179.4	-93.5	0	0	0	107.7	D125 L126 L128 P137 T141 E142 V145 A174	F123-D125 PolarHBondContact O-N 2.98Å; F123-L126 PolarHBondContact N-O 3.42Å; F123-L126 WeakPolarHBondContact O-CB 3.43Å; F123-L126 PolarHBondContact O-N 3.3Å; F123-L128 HydrophobicContact CB-CD1 3.8Å; F123-L128 HydrophobicContact CB-CG 4.41Å; F123-L128 HydrophobicContact CG-CD1 4.34Å; F123-P137 HydrophobicContact CD2-CB 3.51Å; F123-P137 HydrophobicContact CD2-CG 4.46Å; F123-P137 HydrophobicContact CE2-CB 3.81Å; F123-P137 HydrophobicContact CG-CB 4.3Å; F123-T141 HydrophobicContact CE2-CG2 4.23Å; F123-T141 HydrophobicContact CZ-CG2 4.1Å; F123-E142 HydrophobicContact CD2-CG 3.75Å; F123-E142 HydrophobicContact CE2-CB 4.39Å; F123-E142 HydrophobicContact CE2-CG 3.51Å; F123-E142 HydrophobicContact CG-CG 4.4Å; F123-E142 HydrophobicContact CZ-CB 4.49Å; F123-E142 HydrophobicContact CZ-CG 3.96Å; F123-V145 HydrophobicContact CE1-CG2 3.96Å; F123-V145 HydrophobicContact CZ-CG2 3.94Å; F123-A174 HydrophobicContact CD1-CB 3.79Å; F123-A174 HydrophobicContact CD2-CB 4.23Å; F123-A174 HydrophobicContact CE1-CB 3.84Å; F123-A174 VanDerWaalsContact CE1-O 3.23Å; F123-A174 WeakPolarHBondContact CE1-O 3.32Å; F123-A174 HydrophobicContact CE2-CB 4.27Å; F123-A174 HydrophobicContact CG-CB 3.99Å; F123-A174 HydrophobicContact CZ-CB 4.07Å
124	R	95.9	Very high	97	Very high	73 Å²	73	36 Å²	36	28%	0.275	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.7	-117	-167.1	-64.8	-171.1	49.6	138.7	11.9	112	E142 V145 E146 S178	R124-E142 HydrophobicContact CG-CB 3.81Å; R124-E142 HydrophobicContact CG-CG 3.72Å; R124-E142 VanDerWaalsContact N-CD 3.34Å; R124-E142 PolarHBondContact N-OE1 2.79Å; R124-V145 VanDerWaalsContact NH1-CG1 3.33Å; R124-E146 IonicContact CZ-OE2 3.7Å; R124-E146 VanDerWaalsContact CZ-OE2 3.29Å; R124-E146 IonicContact NH1-OE2 3.04Å; R124-E146 PolarHBondContact NH1-OE2 3.33Å; R124-E146 IonicContact NH2-OE2 3.76Å; R124-E146 PolarHBondContact NH2-OE2 2.93Å; R124-S178 WeakPolarHBondContact CD-OG 3.5Å; R124-S178 PolarHBondContact NE-OG 2.88Å
125	D	93.9	Very high	97	Very high	93 Å²	93	37.6 Å²	37.6	50%	0.497	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	8.6	179.7	64.4	-44.8	0	0	0	112.9	F123 K181	F123-D125 PolarHBondContact O-N 2.98Å; D125-K181 WeakPolarHBondContact OD2-CG 3.42Å
126	L	97.6	Very high	97	Very high	3 Å²	3	36.6 Å²	36.6	2%	0.016	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	152.8	-178.9	-53.4	-177	0	0	0	111.7	D122 F123 L128 L177 K181 L208	D122-L126 CarbonylContact C-O 3.55Å; D122-L126 VanDerWaalsContact CA-O 3.29Å; D122-L126 WeakPolarHBondContact CA-O 3.21Å; F123-L126 PolarHBondContact N-O 3.42Å; F123-L126 WeakPolarHBondContact O-CB 3.43Å; F123-L126 PolarHBondContact O-N 3.3Å; L126-L128 HydrophobicContact CB-CD2 4.18Å; L126-L128 HydrophobicContact CB-CG 4.44Å; L126-L128 HydrophobicContact CD1-CD2 4.24Å; L126-L177 HydrophobicContact CD1-CB 3.72Å; L126-K181 HydrophobicContact CD2-CB 4.06Å; L126-K181 HydrophobicContact CD2-CD 4.35Å; L126-K181 HydrophobicContact CD2-CG 3.87Å; L126-L208 HydrophobicContact CB-CD1 4.38Å; L126-L208 HydrophobicContact CD1-CD1 3.96Å; L126-L208 HydrophobicContact CD2-CD1 4.03Å; L126-L208 HydrophobicContact CD2-CD2 4.23Å; L126-L208 HydrophobicContact CG-CD1 4.37Å
127	T	97.1	Very high	96.9	Very high	27 Å²	27	36.7 Å²	36.7	17%	0.166	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	100.9	165.8	-55.2	0	0	0	0	109.3	K79 E120 D122 R207	K79-T127 PolarHBondContact NZ-OG1 2.93Å; E120-T127 HydrophobicContact CB-CG2 4.08Å; E120-T127 HydrophobicContact CG-CG2 4.32Å; D122-T127 WeakPolarHBondContact OD1-CB 3.29Å; D122-T127 WeakPolarHBondContact OD1-CG2 3.13Å; D122-T127 PolarHBondContact OD1-OG1 3.48Å; T127-R207 PolarHBondContact O-NH1 3.26Å
128	L	98.4	Very high	96.8	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	141.9	-177.4	-56.7	176.1	0	0	0	109.6	E120 W121 F123 L126 M130 P137 A174 L177 N204 L208	E120-L128 CarbonylContact C-O 3.58Å; E120-L128 WeakPolarHBondContact CA-O 3.39Å; E120-L128 VanDerWaalsContact CB-O 3.31Å; E120-L128 WeakPolarHBondContact CB-O 3.39Å; W121-L128 PolarHBondContact N-O 2.94Å; W121-L128 PolarHBondContact O-N 3.23Å; F123-L128 HydrophobicContact CB-CD1 3.8Å; F123-L128 HydrophobicContact CB-CG 4.41Å; F123-L128 HydrophobicContact CG-CD1 4.34Å; L126-L128 HydrophobicContact CB-CD2 4.18Å; L126-L128 HydrophobicContact CB-CG 4.44Å; L126-L128 HydrophobicContact CD1-CD2 4.24Å; L128-M130 HydrophobicContact CB-SD 4.39Å; L128-P137 HydrophobicContact CD1-CG 4.38Å; L128-A174 HydrophobicContact CD1-CB 3.56Å; L128-L177 HydrophobicContact CD2-CD1 4.07Å; L128-N204 HydrophobicContact CD2-CB 4.24Å; L128-L208 HydrophobicContact CD2-CD1 4.03Å
129	K	98.5	Very high	96.7	Very high	52 Å²	52	41.8 Å²	41.8	23%	0.226	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	144.2	161.5	-78.7	-33.9	-174.8	175.3	0	108.7	E119 E120 L200 N204 R207	E119-K129 WeakPolarHBondContact O-CA 3.22Å; E119-K129 VanDerWaalsContact O-CD 3.29Å; E119-K129 WeakPolarHBondContact O-CD 3.4Å; E120-K129 HydrophobicContact CB-CD 4.37Å; E120-K129 IonicContact OE2-NZ 3.67Å; E120-K129 PolarHBondContact OE2-NZ 3.31Å; K129-L200 HydrophobicContact CB-CD1 3.8Å; K129-N204 WeakPolarHBondContact CB-OD1 3.44Å; K129-N204 PolarHBondContact N-OD1 3.27Å; K129-N204 PolarHBondContact O-ND2 2.92Å; K129-R207 VanDerWaalsContact CG-NH1 3.31Å; K129-R207 VanDerWaalsContact N-NH1 3.16Å
130	M	97.9	Very high	96.6	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.015	19%	0.194	C	C	.	.			trans	-129.6	135.4	179.2	-63.7	-52	-55.8	0	0	109.6	Q115 F116 E119 W121 L128 I136	Q115-M130 HydrophobicContact CB-CB 4.45Å; Q115-M130 HydrophobicContact CB-CG 4.39Å; F116-M130 HydrophobicContact CD1-CB 4.12Å; F116-M130 HydrophobicContact CE1-CB 4.43Å; F116-M130 HydrophobicContact CE1-CE 4.16Å; E119-M130 CarbonylContact C-O 3.05Å; E119-M130 WeakPolarHBondContact CA-O 3.38Å; E119-M130 PolarHBondContact O-N 3.13Å; W121-M130 HydrophobicContact CB-CG 3.55Å; W121-M130 HydrophobicContact CB-SD 4.25Å; L128-M130 HydrophobicContact CB-SD 4.39Å; M130-I136 HydrophobicContact CE-CB 4.17Å; M130-I136 HydrophobicContact CE-CG1 3.88Å; M130-I136 HydrophobicContact CE-CG2 4.38Å
131	R	96.5	Very high	96.7	Very high	87 Å²	87	37 Å²	37	33%	0.328	18%	0.184	S	C	.	.			trans	-152.2	146.3	171.4	54.8	179	165.1	-128.8	-6.2	110.4	F116 V134 L200 E203	F116-R131 VanDerWaalsContact CE1-C 3.44Å; R131-V134 WeakPolarHBondContact O-CB 3.18Å; R131-V134 PolarHBondContact O-N 3.08Å; R131-V134 VanDerWaalsContact O-N 3.1Å; R131-L200 HydrophobicContact CG-CD1 4.09Å; R131-L200 HydrophobicContact CG-CD2 4.02Å; R131-L200 VanDerWaalsContact NH2-CA 3.32Å; R131-E203 IonicContact CZ-OE2 2.99Å; R131-E203 IonicContact NH1-OE2 2.96Å; R131-E203 PolarHBondContact NH1-OE2 3.35Å; R131-E203 IonicContact NH2-OE2 3.22Å; R131-E203 PolarHBondContact NH2-OE2 2.89Å
132	P	95.8	Very high	96.8	Very high	62 Å²	62	37.8 Å²	37.8	40%	0.403	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	150.2	173	29.8	-33.9	0	0	0	110.2	F116	F116-P132 HydrophobicContact CD2-CB 3.95Å; F116-P132 HydrophobicContact CD2-CG 4.39Å; F116-P132 HydrophobicContact CE2-CB 3.9Å; F116-P132 HydrophobicContact CG-CB 4.39Å; F116-P132 HydrophobicContact CG-CG 4.47Å; F116-P132 HydrophobicContact CZ-CB 4.28Å
133	P	96.3	Very high	96.9	Very high	42 Å²	42	36.7 Å²	36.7	27%	0.273	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	cis	-92.1	14.2	2.1	38.1	-35.8	0	0	0	113.7	F135 D196 F260 D262	P133-F135 PolarHBondContact O-N 3.1Å; P133-D196 WeakPolarHBondContact CD-OD2 3.35Å; P133-F260 WeakPolarHBondContact CA-O 3.41Å; P133-D262 HydrophobicContact CB-CB 4.09Å; P133-D262 HydrophobicContact CG-CB 4.46Å; P133-D262 WeakPolarHBondContact O-CB 3.08Å; P133-D262 PolarHBondContact O-N 3.27Å
134	V	97.8	Very high	97	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.024	18%	0.182	C	C	.	.	S	Bend	trans	-64.5	132.9	-171.4	-172.9	0	0	0	0	111.4	F116 R131 I136 D196 A197 L200	F116-V134 WeakPolarHBondContact CE1-O 3.43Å; F116-V134 VanDerWaalsContact CZ-O 3.24Å; F116-V134 WeakPolarHBondContact CZ-O 3.36Å; R131-V134 WeakPolarHBondContact O-CB 3.18Å; R131-V134 PolarHBondContact O-N 3.08Å; R131-V134 VanDerWaalsContact O-N 3.1Å; V134-I136 PolarHBondContact O-N 3.06Å; V134-D196 HydrophobicContact CG2-CB 4.28Å; V134-A197 HydrophobicContact CG1-CB 3.97Å; V134-A197 HydrophobicContact CG2-CB 4.05Å; V134-L200 HydrophobicContact CB-CD2 3.77Å; V134-L200 HydrophobicContact CG1-CD2 3.86Å; V134-L200 HydrophobicContact CG2-CB 4.34Å; V134-L200 HydrophobicContact CG2-CD2 3.81Å
135	F	97.4	Very high	97.1	Very high	37 Å²	37	33.1 Å²	33.1	16%	0.162	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-50.7	135.2	-179.6	-179.8	-97.2	0	0	0	112.2	P133 P137 R138 E261 A265 L266	P133-F135 PolarHBondContact O-N 3.1Å; F135-P137 WeakPolarHBondContact O-CD 3.4Å; F135-R138 HydrophobicContact CE1-CG 4.14Å; F135-R138 HydrophobicContact CZ-CG 3.74Å; F135-E261 VanDerWaalsContact CD2-OE2 3.23Å; F135-E261 WeakPolarHBondContact CD2-OE2 3.16Å; F135-A265 HydrophobicContact CB-CB 4.13Å; F135-L266 HydrophobicContact CD2-CD2 3.76Å; F135-L266 HydrophobicContact CE2-CD2 3.63Å
136	I	97.9	Very high	97.3	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-86.4	117.6	178	-59.7	168.5	0	0	0	108.6	P113 Q115 F116 M130 V134 R138 E261	P113-I136 HydrophobicContact CB-CD1 3.48Å; P113-I136 VanDerWaalsContact CB-CD1 3.48Å; P113-I136 HydrophobicContact CG-CD1 3.85Å; Q115-I136 HydrophobicContact CB-CD1 4.08Å; Q115-I136 HydrophobicContact CB-CG1 4.46Å; Q115-I136 HydrophobicContact CB-CG2 4.27Å; Q115-I136 HydrophobicContact CG-CD1 4.41Å; Q115-I136 HydrophobicContact CG-CG2 3.84Å; F116-I136 HydrophobicContact CD1-CD1 4.34Å; F116-I136 HydrophobicContact CD1-CG1 4.37Å; F116-I136 HydrophobicContact CD2-CD1 4.32Å; F116-I136 HydrophobicContact CE1-CD1 3.9Å; F116-I136 HydrophobicContact CE1-CG1 3.58Å; F116-I136 HydrophobicContact CE2-CD1 3.87Å; F116-I136 HydrophobicContact CE2-CG1 4.25Å; F116-I136 HydrophobicContact CZ-CD1 3.65Å; F116-I136 HydrophobicContact CZ-CG1 3.51Å; M130-I136 HydrophobicContact CE-CB 4.17Å; M130-I136 HydrophobicContact CE-CG1 3.88Å; M130-I136 HydrophobicContact CE-CG2 4.38Å; V134-I136 PolarHBondContact O-N 3.06Å; I136-R138 WeakPolarHBondContact O-CD 3.45Å; I136-R138 VanDerWaalsContact O-CZ 3.24Å; I136-R138 PolarHBondContact O-N 2.76Å; I136-R138 PolarHBondContact O-NE 2.82Å; I136-R138 PolarHBondContact O-NH1 3.1Å; I136-E261 PolarHBondContact N-OE2 2.7Å
137	P	96.9	Very high	97.2	Very high	8 Å²	8	34.7 Å²	34.7	5%	0.052	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-54.2	137.9	178.9	-25.9	34.9	0	0	0	112.3	F123 L128 F135 S172 A174	F123-P137 HydrophobicContact CD2-CB 3.51Å; F123-P137 HydrophobicContact CD2-CG 4.46Å; F123-P137 HydrophobicContact CE2-CB 3.81Å; F123-P137 HydrophobicContact CG-CB 4.3Å; L128-P137 HydrophobicContact CD1-CG 4.38Å; F135-P137 WeakPolarHBondContact O-CD 3.4Å; P137-S172 VanDerWaalsContact CG-OG 3.27Å; P137-S172 WeakPolarHBondContact CG-OG 3.43Å; P137-A174 HydrophobicContact CB-CB 3.9Å; P137-A174 HydrophobicContact CG-CB 3.53Å
138	R	95.8	Very high	97.2	Very high	54 Å²	54	33.4 Å²	33.4	20%	0.204	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-98.4	155.6	-177.5	-53	-54.3	-180	-160.1	-4	111.3	F135 I136 E140 T141 E261	F135-R138 HydrophobicContact CE1-CG 4.14Å; F135-R138 HydrophobicContact CZ-CG 3.74Å; I136-R138 WeakPolarHBondContact O-CD 3.45Å; I136-R138 VanDerWaalsContact O-CZ 3.24Å; I136-R138 PolarHBondContact O-N 2.76Å; I136-R138 PolarHBondContact O-NE 2.82Å; I136-R138 PolarHBondContact O-NH1 3.1Å; R138-E140 PolarHBondContact O-N 3.13Å; R138-T141 VanDerWaalsContact O-CB 3.3Å; R138-T141 WeakPolarHBondContact O-CB 3.32Å; R138-T141 PolarHBondContact O-N 3.13Å; R138-E261 IonicContact CZ-OE1 3.09Å; R138-E261 IonicContact CZ-OE2 3.82Å; R138-E261 IonicContact NH1-OE1 3.35Å; R138-E261 PolarHBondContact NH1-OE1 2.54Å; R138-E261 IonicContact NH2-OE1 2.76Å; R138-E261 PolarHBondContact NH2-OE1 3.32Å; R138-E261 IonicContact NH2-OE2 3.36Å; R138-E261 PolarHBondContact NH2-OE2 2.71Å
139	P	94.6	Very high	97.1	Very high	69 Å²	69	33.6 Å²	33.6	45%	0.448	17%	0.167	S	C	.	.	H	α-helix	trans	-56.1	-37.7	176.2	-26.4	35.9	0	0	0	113.5	T141 E142	P139-T141 PolarHBondContact O-N 3.32Å; P139-E142 WeakPolarHBondContact O-CB 3.22Å; P139-E142 PolarHBondContact O-N 2.88Å
140	E	95.6	Very high	96.9	Very high	51 Å²	51	33.1 Å²	33.1	24%	0.238	17%	0.168	C	C	.	.	H	α-helix	trans	-59.3	-34.2	176.8	-65.4	84.8	167.9	0	0	111.7	R138 E142 E143 L144 D324 R330 F331	R138-E140 PolarHBondContact O-N 3.13Å; E140-E142 PolarHBondContact O-N 3.32Å; E140-E143 VanDerWaalsContact O-CB 3.31Å; E140-E143 WeakPolarHBondContact O-CB 3.44Å; E140-E143 PolarHBondContact O-N 3.01Å; E140-L144 PolarHBondContact O-N 3.13Å; E140-D324 HydrophobicContact CG-CB 4.39Å; E140-R330 HydrophobicContact CB-CG 4.36Å; E140-F331 VanDerWaalsContact O-CZ 3.31Å; E140-F331 WeakPolarHBondContact O-CZ 3.38Å
141	T	97.9	Very high	96.6	Very high	4 Å²	4	34 Å²	34	3%	0.025	17%	0.173	C	C	.	.	H	α-helix	trans	-66.9	-24.8	177.9	-47.5	0	0	0	0	112.2	F123 R138 P139 E143 L144 V145 I175 N241 E296	F123-T141 HydrophobicContact CE2-CG2 4.23Å; F123-T141 HydrophobicContact CZ-CG2 4.1Å; R138-T141 VanDerWaalsContact O-CB 3.3Å; R138-T141 WeakPolarHBondContact O-CB 3.32Å; R138-T141 PolarHBondContact O-N 3.13Å; P139-T141 PolarHBondContact O-N 3.32Å; T141-E143 VanDerWaalsContact C-N 3.27Å; T141-E143 PolarHBondContact O-N 3.01Å; T141-L144 WeakPolarHBondContact O-CB 3.46Å; T141-L144 PolarHBondContact O-N 2.81Å; T141-V145 WeakPolarHBondContact O-CG2 3.32Å; T141-V145 PolarHBondContact O-N 3.11Å; T141-I175 HydrophobicContact CG2-CD1 3.7Å; T141-I175 HydrophobicContact CG2-CG1 3.66Å; T141-N241 HydrophobicContact CG2-CB 4.38Å; T141-N241 PolarHBondContact OG1-ND2 2.91Å; T141-E296 WeakPolarHBondContact CA-OE2 3.28Å; T141-E296 VanDerWaalsContact CB-OE2 3.31Å; T141-E296 WeakPolarHBondContact CB-OE2 3.42Å; T141-E296 PolarHBondContact N-OE2 2.96Å; T141-E296 PolarHBondContact OG1-OE2 2.52Å
142	E	98.2	Very high	96.2	Very high	55 Å²	55	31 Å²	31	26%	0.257	16%	0.164	S	C	.	.	H	α-helix	trans	-64.8	-34.5	171.4	-59.8	-166.5	176.8	0	0	111.8	F123 R124 P139 E140 V145 E146	F123-E142 HydrophobicContact CD2-CG 3.75Å; F123-E142 HydrophobicContact CE2-CB 4.39Å; F123-E142 HydrophobicContact CE2-CG 3.51Å; F123-E142 HydrophobicContact CG-CG 4.4Å; F123-E142 HydrophobicContact CZ-CB 4.49Å; F123-E142 HydrophobicContact CZ-CG 3.96Å; R124-E142 HydrophobicContact CG-CB 3.81Å; R124-E142 HydrophobicContact CG-CG 3.72Å; R124-E142 VanDerWaalsContact N-CD 3.34Å; R124-E142 PolarHBondContact N-OE1 2.79Å; P139-E142 WeakPolarHBondContact O-CB 3.22Å; P139-E142 PolarHBondContact O-N 2.88Å; E140-E142 PolarHBondContact O-N 3.32Å; E142-V145 PolarHBondContact O-N 3.16Å; E142-E146 PolarHBondContact O-N 3.43Å; E142-E146 VanDerWaalsContact O-N 3.11Å
143	E	98.1	Very high	95.8	Very high	43 Å²	43	34 Å²	34	20%	0.201	17%	0.173	C	C	.	.	H	α-helix	trans	-68.9	-36.7	176.5	-55.7	-178.3	-128.3	0	0	111.2	E140 T141 V145 E146 L147 D324 V325 F331	E140-E143 VanDerWaalsContact O-CB 3.31Å; E140-E143 WeakPolarHBondContact O-CB 3.44Å; E140-E143 PolarHBondContact O-N 3.01Å; T141-E143 VanDerWaalsContact C-N 3.27Å; T141-E143 PolarHBondContact O-N 3.01Å; E143-V145 VanDerWaalsContact C-N 3.33Å; E143-V145 PolarHBondContact O-N 3.17Å; E143-E146 PolarHBondContact O-N 2.86Å; E143-E146 VanDerWaalsContact O-N 3.15Å; E143-L147 WeakPolarHBondContact O-CG 3.36Å; E143-L147 PolarHBondContact O-N 3.42Å; E143-D324 WeakPolarHBondContact OE2-CA 3.39Å; E143-V325 WeakPolarHBondContact OE1-CG2 3.46Å; E143-V325 PolarHBondContact OE1-N 3.17Å; E143-V325 WeakPolarHBondContact OE2-CG1 3.38Å; E143-V325 PolarHBondContact OE2-N 3.07Å; E143-V325 VanDerWaalsContact OE2-N 3.08Å; E143-F331 HydrophobicContact CB-CE2 3.97Å; E143-F331 HydrophobicContact CB-CZ 3.69Å
144	L	98.5	Very high	95.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-57.6	-46.6	172.5	178.5	63.3	0	0	0	111.2	E140 T141 E146 L147 V148 I175 V239 E296 F331	E140-L144 PolarHBondContact O-N 3.13Å; T141-L144 WeakPolarHBondContact O-CB 3.46Å; T141-L144 PolarHBondContact O-N 2.81Å; L144-E146 VanDerWaalsContact C-N 3.29Å; L144-E146 PolarHBondContact O-N 3.19Å; L144-L147 PolarHBondContact O-N 3.24Å; L144-V148 WeakPolarHBondContact O-CG2 3.12Å; L144-V148 PolarHBondContact O-N 3.14Å; L144-V148 VanDerWaalsContact O-N 3.11Å; L144-I175 HydrophobicContact CD2-CD1 3.88Å; L144-V239 HydrophobicContact CD1-CG2 4.27Å; L144-V239 HydrophobicContact CD2-CG2 3.74Å; L144-V239 HydrophobicContact CG-CG2 3.92Å; L144-E296 HydrophobicContact CD2-CB 4.16Å; L144-F331 HydrophobicContact CB-CD1 3.99Å; L144-F331 HydrophobicContact CB-CE1 3.75Å; L144-F331 HydrophobicContact CD1-CD1 3.93Å
145	V	98.4	Very high	94.1	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-59.1	-43.6	175.9	-178.6	0	0	0	0	110.3	F123 R124 T141 E142 E143 L147 V148 L149 I175 L179	F123-V145 HydrophobicContact CE1-CG2 3.96Å; F123-V145 HydrophobicContact CZ-CG2 3.94Å; R124-V145 VanDerWaalsContact NH1-CG1 3.33Å; T141-V145 WeakPolarHBondContact O-CG2 3.32Å; T141-V145 PolarHBondContact O-N 3.11Å; E142-V145 PolarHBondContact O-N 3.16Å; E143-V145 VanDerWaalsContact C-N 3.33Å; E143-V145 PolarHBondContact O-N 3.17Å; V145-L147 PolarHBondContact O-N 3.17Å; V145-V148 PolarHBondContact O-N 3.22Å; V145-L149 HydrophobicContact CG1-CD1 4.15Å; V145-L149 HydrophobicContact CG1-CG 4.3Å; V145-L149 WeakPolarHBondContact O-CG 3.16Å; V145-L149 PolarHBondContact O-N 2.78Å; V145-I175 HydrophobicContact CG2-CB 4.22Å; V145-I175 HydrophobicContact CG2-CG1 4.13Å; V145-I175 HydrophobicContact CG2-CG2 4.11Å; V145-L179 HydrophobicContact CG1-CD2 3.64Å; V145-L179 HydrophobicContact CG1-CG 4.07Å
146	E	97.6	Very high	92.6	Very high	90 Å²	90	46.9 Å²	46.9	42%	0.421	24%	0.235	S	C	.	.	H	α-helix	trans	-65	-37.5	-179.6	-169.3	59.7	-160.1	0	0	113.1	R124 E142 E143 L144 L149 T150	R124-E146 IonicContact CZ-OE2 3.7Å; R124-E146 VanDerWaalsContact CZ-OE2 3.29Å; R124-E146 IonicContact NH1-OE2 3.04Å; R124-E146 PolarHBondContact NH1-OE2 3.33Å; R124-E146 IonicContact NH2-OE2 3.76Å; R124-E146 PolarHBondContact NH2-OE2 2.93Å; E142-E146 PolarHBondContact O-N 3.43Å; E142-E146 VanDerWaalsContact O-N 3.11Å; E143-E146 PolarHBondContact O-N 2.86Å; E143-E146 VanDerWaalsContact O-N 3.15Å; L144-E146 VanDerWaalsContact C-N 3.29Å; L144-E146 PolarHBondContact O-N 3.19Å; E146-L149 PolarHBondContact O-N 2.87Å; E146-T150 VanDerWaalsContact O-CB 3.3Å; E146-T150 WeakPolarHBondContact O-CB 3.4Å; E146-T150 PolarHBondContact O-N 3.42Å; E146-T150 PolarHBondContact O-OG1 3.36Å
147	L	96.7	Very high	90.9	Very high	38 Å²	38	49.9 Å²	49.9	20%	0.199	27%	0.267	C	S	.	.	H	α-helix	trans	-60.4	-47.5	173	-71.1	172.8	0	0	0	111.1	E143 L144 V145 T150 D151 R322 F331	E143-L147 WeakPolarHBondContact O-CG 3.36Å; E143-L147 PolarHBondContact O-N 3.42Å; L144-L147 PolarHBondContact O-N 3.24Å; V145-L147 PolarHBondContact O-N 3.17Å; L147-T150 PolarHBondContact O-N 3.4Å; L147-D151 PolarHBondContact O-N 3.2Å; L147-D151 VanDerWaalsContact O-N 3.09Å; L147-R322 HydrophobicContact CD1-CB 4.25Å; L147-R322 HydrophobicContact CD1-CG 4.47Å; L147-R322 HydrophobicContact CD2-CG 4.38Å; L147-F331 HydrophobicContact CD1-CB 3.83Å; L147-F331 HydrophobicContact CD1-CD1 4.36Å; L147-F331 HydrophobicContact CD1-CD2 3.45Å; L147-F331 VanDerWaalsContact CD1-CD2 3.45Å; L147-F331 HydrophobicContact CD1-CE2 4.11Å; L147-F331 HydrophobicContact CD1-CG 3.6Å
148	V	97.1	Very high	88.8	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-62.1	-47	178.4	172.7	0	0	0	0	111.3	L144 V145 T150 D151 L152 L179 V237 V239 Y294	L144-V148 WeakPolarHBondContact O-CG2 3.12Å; L144-V148 PolarHBondContact O-N 3.14Å; L144-V148 VanDerWaalsContact O-N 3.11Å; V145-V148 PolarHBondContact O-N 3.22Å; V148-T150 PolarHBondContact O-N 3.31Å; V148-D151 PolarHBondContact O-N 2.96Å; V148-L152 HydrophobicContact CG1-CD1 3.82Å; V148-L152 HydrophobicContact CG1-CG 4.36Å; V148-L152 WeakPolarHBondContact O-CB 3.42Å; V148-L152 WeakPolarHBondContact O-CG 3.3Å; V148-L152 PolarHBondContact O-N 3.48Å; V148-L179 HydrophobicContact CB-CD2 4.04Å; V148-L179 HydrophobicContact CG1-CD1 4Å; V148-L179 HydrophobicContact CG1-CD2 3.7Å; V148-V237 HydrophobicContact CG1-CG1 3.87Å; V148-V237 HydrophobicContact CG2-CG1 4.37Å; V148-V239 HydrophobicContact CG2-CB 4.44Å; V148-V239 HydrophobicContact CG2-CG2 4.07Å; V148-Y294 HydrophobicContact CG2-CD1 4.02Å; V148-Y294 HydrophobicContact CG2-CD2 3.71Å; V148-Y294 HydrophobicContact CG2-CE1 4.47Å; V148-Y294 HydrophobicContact CG2-CE2 4.18Å; V148-Y294 HydrophobicContact CG2-CG 3.63Å
149	L	95.9	Very high	87	Confident	5 Å²	5	56.3 Å²	56.3	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-60	-45.5	178.2	-71.4	179.3	0	0	0	112	V145 E146 D151 L152 Q153 L179 L183	V145-L149 HydrophobicContact CG1-CD1 4.15Å; V145-L149 HydrophobicContact CG1-CG 4.3Å; V145-L149 WeakPolarHBondContact O-CG 3.16Å; V145-L149 PolarHBondContact O-N 2.78Å; E146-L149 PolarHBondContact O-N 2.87Å; L149-D151 VanDerWaalsContact C-N 3.29Å; L149-D151 PolarHBondContact O-N 2.79Å; L149-L152 PolarHBondContact O-N 3.15Å; L149-Q153 WeakPolarHBondContact O-CB 3.46Å; L149-Q153 VanDerWaalsContact O-CG 3.28Å; L149-Q153 WeakPolarHBondContact O-CG 3.49Å; L149-Q153 PolarHBondContact O-N 3.45Å; L149-L179 HydrophobicContact CD2-CD2 3.58Å; L149-L179 HydrophobicContact CG-CD2 3.75Å; L149-L183 HydrophobicContact CD2-CD1 3.58Å; L149-L183 HydrophobicContact CD2-CD2 4.33Å; L149-L183 HydrophobicContact CD2-CG 3.63Å
150	T	93.9	Very high	85.2	Confident	42 Å²	42	62.7 Å²	62.7	26%	0.258	36%	0.355	S	S	.	.	H	α-helix	trans	-59.1	-43.1	179.5	-66	0	0	0	0	111.1	E146 L147 V148 K154	E146-T150 VanDerWaalsContact O-CB 3.3Å; E146-T150 WeakPolarHBondContact O-CB 3.4Å; E146-T150 PolarHBondContact O-N 3.42Å; E146-T150 PolarHBondContact O-OG1 3.36Å; L147-T150 PolarHBondContact O-N 3.4Å; V148-T150 PolarHBondContact O-N 3.31Å; T150-K154 HydrophobicContact CG2-CD 4.02Å; T150-K154 VanDerWaalsContact CG2-CE 3.45Å; T150-K154 VanDerWaalsContact CG2-NZ 3.3Å; T150-K154 WeakPolarHBondContact O-CB 3.27Å; T150-K154 VanDerWaalsContact O-CG 3.27Å; T150-K154 WeakPolarHBondContact O-CG 3.42Å; T150-K154 PolarHBondContact O-N 3.36Å; T150-K154 VanDerWaalsContact O-N 3.12Å
151	D	91	Very high	83.9	Confident	22 Å²	22	64.2 Å²	64.2	12%	0.118	38%	0.376	C	S	.	.	H	α-helix	trans	-72.2	-43.3	-179	-86.1	5.6	0	0	0	112.4	L147 V148 L149 Q153 K154 H155 R292 Y294	L147-D151 PolarHBondContact O-N 3.2Å; L147-D151 VanDerWaalsContact O-N 3.09Å; V148-D151 PolarHBondContact O-N 2.96Å; L149-D151 VanDerWaalsContact C-N 3.29Å; L149-D151 PolarHBondContact O-N 2.79Å; D151-Q153 VanDerWaalsContact C-N 3.27Å; D151-Q153 PolarHBondContact O-N 2.99Å; D151-K154 PolarHBondContact O-N 2.84Å; D151-H155 PolarHBondContact O-N 3.39Å; D151-R292 IonicContact OD1-NH1 3.29Å; D151-R292 IonicContact OD2-CZ 2.8Å; D151-R292 IonicContact OD2-NH1 2.73Å; D151-R292 PolarHBondContact OD2-NH1 3.08Å; D151-Y294 WeakPolarHBondContact CB-OH 3.46Å; D151-Y294 VanDerWaalsContact CG-OH 3.24Å; D151-Y294 WeakPolarHBondContact OD2-CE1 3.39Å; D151-Y294 PolarHBondContact OD2-OH 3.14Å
152	L	89.6	Confident	82.9	Confident	25 Å²	25	66.8 Å²	66.8	13%	0.131	39%	0.393	C	S	.	.	H	α-helix	trans	-60.7	-35.2	175.7	-76	174.9	0	0	0	112.5	V148 L149 H155 P163 L183 L186 V237	V148-L152 HydrophobicContact CG1-CD1 3.82Å; V148-L152 HydrophobicContact CG1-CG 4.36Å; V148-L152 WeakPolarHBondContact O-CB 3.42Å; V148-L152 WeakPolarHBondContact O-CG 3.3Å; V148-L152 PolarHBondContact O-N 3.48Å; L149-L152 PolarHBondContact O-N 3.15Å; L152-H155 CarbonylContact O-C 3.57Å; L152-P163 HydrophobicContact CD2-CB 4.35Å; L152-L183 HydrophobicContact CB-CD1 4.17Å; L152-L183 HydrophobicContact CD1-CD1 3.63Å; L152-L186 HydrophobicContact CD1-CD1 4.33Å; L152-V237 HydrophobicContact CD1-CG2 4.33Å; L152-V237 HydrophobicContact CD2-CG2 3.56Å; L152-V237 HydrophobicContact CG-CG2 3.97Å
153	Q	87	Confident	82.4	Confident	125 Å²	125	66 Å²	66	58%	0.584	39%	0.393	S	S	*	.	H	α-helix	trans	-75.6	-33.1	177.1	-72.7	176.3	3.7	0	0	113.4	L149 D151 L183	L149-Q153 WeakPolarHBondContact O-CB 3.46Å; L149-Q153 VanDerWaalsContact O-CG 3.28Å; L149-Q153 WeakPolarHBondContact O-CG 3.49Å; L149-Q153 PolarHBondContact O-N 3.45Å; D151-Q153 VanDerWaalsContact C-N 3.27Å; D151-Q153 PolarHBondContact O-N 2.99Å; Q153-L183 HydrophobicContact CG-CD2 4.42Å
154	K	84.3	Confident	82.2	Confident	138 Å²	138	65.1 Å²	65.1	60%	0.6	39%	0.391	S	S	*	.	H	α-helix	trans	-75.3	-29.6	177	-76.7	172.6	-177.5	170.4	0	112.8	T150 D151 P156	T150-K154 HydrophobicContact CG2-CD 4.02Å; T150-K154 VanDerWaalsContact CG2-CE 3.45Å; T150-K154 VanDerWaalsContact CG2-NZ 3.3Å; T150-K154 WeakPolarHBondContact O-CB 3.27Å; T150-K154 VanDerWaalsContact O-CG 3.27Å; T150-K154 WeakPolarHBondContact O-CG 3.42Å; T150-K154 PolarHBondContact O-N 3.36Å; T150-K154 VanDerWaalsContact O-N 3.12Å; D151-K154 PolarHBondContact O-N 2.84Å; K154-P156 WeakPolarHBondContact O-CD 3.44Å
155	H	74.7	Confident	82.1	Confident	116 Å²	116	65.1 Å²	65.1	54%	0.537	39%	0.391	S	S	.	.	S	Bend	trans	-121.7	64.3	179.7	-58.2	-65.6	0	0	0	109.7	D151 L152 G157	D151-H155 PolarHBondContact O-N 3.39Å; L152-H155 CarbonylContact O-C 3.57Å; H155-G157 PolarHBondContact O-N 2.88Å
156	P	65.7	Low	82.1	Confident	98 Å²	98	65.1 Å²	65.1	64%	0.636	39%	0.391	S	S	*	.			trans	-58.5	120.8	171.7	27.1	-31	0	0	0	106	K154 S158	K154-P156 WeakPolarHBondContact O-CD 3.44Å; P156-S158 PolarHBondContact O-N 3.34Å
157	G	62.6	Low	82.2	Confident	65 Å²	65	61 Å²	61	67%	0.67	37%	0.372	S	S	*	.			trans	-45.8	139.7	-172.6	0	0	0	0	0	111.2	H155 G159	H155-G157 PolarHBondContact O-N 2.88Å; G157-G159 PolarHBondContact O-N 3.46Å
158	S	52.7	Low	82.2	Confident	141 Å²	141	59.5 Å²	59.5	99%	0.986	36%	0.364	S	S	*	.	S	Bend	trans	-69.2	4.5	-178.4	49.4	0	0	0	0	114	P156	P156-S158 PolarHBondContact O-N 3.34Å
159	G	57.3	Low	82.3	Confident	56 Å²	56	60.9 Å²	60.9	58%	0.577	38%	0.378	S	S	*	.	S	Bend	trans	-113.2	170.8	-177.4	0	0	0	0	0	113.7	G157 A161	G157-G159 PolarHBondContact O-N 3.46Å; G159-A161 VanDerWaalsContact C-N 3.33Å
160	M	57.2	Low	82.4	Confident	203 Å²	203	60.9 Å²	60.9	100%	1	38%	0.378	S	S	*	.	S	Bend	trans	-78.2	-12.8	177.4	-72.2	178.2	57.9	0	0	114.1
161	A	67.2	Low	82.6	Confident	82 Å²	82	59.4 Å²	59.4	68%	0.678	37%	0.371	S	S	*	.	S	Bend	trans	-81	144.8	-175.9	0	0	0	0	0	112	G159	G159-A161 VanDerWaalsContact C-N 3.33Å
162	P	76.6	Confident	83	Confident	58 Å²	58	58.5 Å²	58.5	38%	0.377	37%	0.367	S	S	.	.	P	Polyproline II helix	trans	-60	146	173.1	23.1	-31	0	0	0	111.3	Q185	P162-Q185 WeakPolarHBondContact CB-O 3.46Å
163	P	88.4	Confident	83.4	Confident	40 Å²	40	57.4 Å²	57.4	26%	0.26	36%	0.361	S	S	.	.	P	Polyproline II helix	trans	-63.5	143.5	173.2	26.8	-32.1	0	0	0	110.2	L152 L186 E187	L152-P163 HydrophobicContact CD2-CB 4.35Å; P163-L186 HydrophobicContact CB-CD1 3.95Å; P163-L186 HydrophobicContact CG-CD1 3.95Å; P163-L186 WeakPolarHBondContact O-CD1 3.38Å; P163-E187 PolarHBondContact O-N 3.04Å
164	T	94.1	Very high	83.9	Confident	24 Å²	24	51.7 Å²	51.7	15%	0.147	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	135.7	177.5	50.4	0	0	0	0	110.2	E187 F189 S234 I235 S236 V237	T164-E187 WeakPolarHBondContact CA-O 3.38Å; T164-F189 HydrophobicContact CG2-CE2 4.43Å; T164-S234 PolarHBondContact OG1-O 2.98Å; T164-I235 WeakPolarHBondContact OG1-CA 3.32Å; T164-S236 WeakPolarHBondContact O-CB 3.45Å; T164-S236 PolarHBondContact O-N 3.18Å; T164-S236 PolarHBondContact OG1-N 2.84Å; T164-V237 PolarHBondContact O-N 2.85Å
165	C	96.8	Very high	84.6	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	137.3	176.3	-176.2	0	0	0	0	110.6	L186 E187 A188 F189 V237	C165-L186 HydrophobicContact CB-CD1 4.08Å; C165-L186 HydrophobicContact CB-CD2 4.22Å; C165-L186 HydrophobicContact CB-CG 4.41Å; C165-E187 PolarHBondContact N-O 3.37Å; C165-A188 HydrophobicContact CB-CB 4.45Å; C165-A188 CarbonylContact O-C 3.4Å; C165-A188 WeakPolarHBondContact O-CA 3.15Å; C165-F189 PolarHBondContact O-N 2.89Å; C165-V237 CarbonylContact C-O 3.58Å; C165-V237 VanDerWaalsContact CA-O 3.28Å; C165-V237 WeakPolarHBondContact CA-O 3.37Å
166	L	98.2	Very high	85.8	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	117.6	166.4	-179.2	63.3	0	0	0	109.1	F189 L191 F232 I235 V237 L238 V239 V286	L166-F189 CarbonylContact C-O 3.6Å; L166-F189 WeakPolarHBondContact CA-O 3.24Å; L166-F189 HydrophobicContact CD1-CB 3.8Å; L166-L191 HydrophobicContact CD1-CD1 4.07Å; L166-L191 HydrophobicContact CD1-CG 3.97Å; L166-L191 HydrophobicContact CD2-CD1 4.43Å; L166-F232 HydrophobicContact CD1-CD1 4.2Å; L166-F232 HydrophobicContact CD1-CD2 4.29Å; L166-F232 HydrophobicContact CD1-CE1 4.06Å; L166-F232 HydrophobicContact CD1-CE2 4.15Å; L166-F232 HydrophobicContact CD1-CG 4.31Å; L166-F232 HydrophobicContact CD1-CZ 4.03Å; L166-F232 HydrophobicContact CD2-CD2 4.22Å; L166-F232 HydrophobicContact CD2-CG 4.39Å; L166-I235 HydrophobicContact CB-CD1 4.27Å; L166-I235 HydrophobicContact CB-CG1 4.18Å; L166-I235 HydrophobicContact CB-CG2 3.78Å; L166-V237 PolarHBondContact N-O 2.8Å; L166-L238 HydrophobicContact CD2-CD1 4.22Å; L166-L238 HydrophobicContact CD2-CG 4.49Å; L166-L238 CarbonylContact O-C 3.57Å; L166-L238 VanDerWaalsContact O-CA 3.31Å; L166-L238 WeakPolarHBondContact O-CA 3.23Å; L166-V239 PolarHBondContact O-N 3.05Å; L166-V286 HydrophobicContact CD2-CG2 4.18Å
167	E	98.6	Very high	87.3	Confident	4 Å²	4	35.1 Å²	35.1	2%	0.019	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	130.9	169.3	-176.2	175.5	-174.5	0	0	110.7	C170 I175 S176 F189 A190 L191 V239	E167-C170 HydrophobicContact CG-CB 3.98Å; E167-C170 WeakPolarHBondContact OE1-CA 3.46Å; E167-I175 WeakPolarHBondContact OE1-CB 3.25Å; E167-S176 VanDerWaalsContact CB-OG 3.32Å; E167-S176 WeakPolarHBondContact CB-OG 3.43Å; E167-S176 WeakPolarHBondContact OE2-CB 3.28Å; E167-S176 PolarHBondContact OE2-N 3.1Å; E167-S176 PolarHBondContact OE2-OG 2.83Å; E167-F189 PolarHBondContact N-O 2.84Å; E167-A190 HydrophobicContact CB-CB 4.45Å; E167-A190 CarbonylContact O-C 3.5Å; E167-A190 WeakPolarHBondContact O-CA 3.28Å; E167-L191 PolarHBondContact O-N 2.89Å; E167-V239 VanDerWaalsContact CA-O 3.28Å; E167-V239 WeakPolarHBondContact CA-O 3.24Å; E167-V239 HydrophobicContact CB-CG1 4.06Å; E167-V239 HydrophobicContact CG-CG1 4.28Å
168	V	98.4	Very high	89	Confident	5 Å²	5	32 Å²	32	3%	0.03	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	121.1	172	-171.6	0	0	0	0	109.9	L191 V221 L238 V239 S240 I279	V168-L191 HydrophobicContact CG2-CD1 4.19Å; V168-V221 HydrophobicContact CG1-CB 3.88Å; V168-V221 HydrophobicContact CG1-CG1 3.98Å; V168-V221 HydrophobicContact CG1-CG2 4.04Å; V168-L238 HydrophobicContact CG2-CD2 4.11Å; V168-L238 HydrophobicContact CG2-CG 4.45Å; V168-V239 PolarHBondContact N-O 2.93Å; V168-S240 WeakPolarHBondContact O-CB 3.17Å; V168-S240 PolarHBondContact O-OG 2.96Å; V168-I279 HydrophobicContact CB-CD1 4Å; V168-I279 HydrophobicContact CB-CG1 4.11Å; V168-I279 HydrophobicContact CG1-CD1 3.98Å; V168-I279 HydrophobicContact CG1-CG1 3.92Å; V168-I279 HydrophobicContact CG2-CG1 4.2Å
169	G	98	Very high	91.2	Very high	29 Å²	29	25.3 Å²	25.3	30%	0.299	17%	0.173	S	C	.	.	S	Bend	trans	77.8	59.2	-175.9	0	0	0	0	0	112.3	G171 L191 E192	G169-G171 VanDerWaalsContact C-N 3.29Å; G169-G171 PolarHBondContact O-N 2.92Å; G169-L191 WeakPolarHBondContact CA-O 3.28Å; G169-L191 PolarHBondContact N-O 2.89Å; G169-E192 VanDerWaalsContact C-OE2 3.28Å
170	C	98.1	Very high	93.1	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.034	15%	0.146	C	C	.	.			trans	-71.4	-17.5	-170	72	0	0	0	0	115.3	E167 S172 G173 A190 L191 E192 S201	E167-C170 HydrophobicContact CG-CB 3.98Å; E167-C170 WeakPolarHBondContact OE1-CA 3.46Å; C170-S172 PolarHBondContact O-N 3.09Å; C170-G173 WeakPolarHBondContact O-CA 3.34Å; C170-G173 PolarHBondContact O-N 2.91Å; C170-A190 HydrophobicContact CB-CB 3.69Å; C170-L191 PolarHBondContact N-O 3.29Å; C170-E192 PolarHBondContact N-OE2 3.43Å; C170-S201 PolarHBondContact SG-OG 2.84Å
171	G	98.3	Very high	95.1	Very high	11 Å²	11	18.2 Å²	18.2	11%	0.113	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	-110.1	175.4	0	0	0	0	0	112.9	G169 G173 E192 A197 S201	G169-G171 VanDerWaalsContact C-N 3.29Å; G169-G171 PolarHBondContact O-N 2.92Å; G171-G173 VanDerWaalsContact C-N 3.32Å; G171-E192 PolarHBondContact N-OE2 2.82Å; G171-A197 CarbonylContact O-C 3.56Å; G171-A197 WeakPolarHBondContact O-CB 3.21Å; G171-S201 PolarHBondContact O-OG 3.05Å
172	S	98.4	Very high	96.5	Very high	4 Å²	4	16.2 Å²	16.2	3%	0.028	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	-2.1	176.3	56.6	0	0	0	0	114.3	P137 C170 N204	P137-S172 VanDerWaalsContact CG-OG 3.27Å; P137-S172 WeakPolarHBondContact CG-OG 3.43Å; C170-S172 PolarHBondContact O-N 3.09Å; S172-N204 PolarHBondContact O-ND2 3.48Å
173	G	98.5	Very high	97.3	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.01	9%	0.092	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.2	12.7	-175.4	0	0	0	0	0	113.5	C170 G171 I175 L177 S201	C170-G173 WeakPolarHBondContact O-CA 3.34Å; C170-G173 PolarHBondContact O-N 2.91Å; G171-G173 VanDerWaalsContact C-N 3.32Å; G173-I175 PolarHBondContact O-N 3Å; G173-L177 WeakPolarHBondContact O-CB 3.2Å; G173-L177 WeakPolarHBondContact O-CD1 3.33Å; G173-L177 WeakPolarHBondContact O-CG 3.37Å; G173-L177 PolarHBondContact O-N 3.47Å; G173-S201 PolarHBondContact N-OG 3.23Å
174	A	98.6	Very high	97.5	Very high	6 Å²	6	17.5 Å²	17.5	5%	0.05	11%	0.109	C	C	.	.	H	α-helix	trans	-56.7	-46.5	-166.7	0	0	0	0	0	113.8	F123 L128 P137 S178	F123-A174 HydrophobicContact CD1-CB 3.79Å; F123-A174 HydrophobicContact CD2-CB 4.23Å; F123-A174 HydrophobicContact CE1-CB 3.84Å; F123-A174 VanDerWaalsContact CE1-O 3.23Å; F123-A174 WeakPolarHBondContact CE1-O 3.32Å; F123-A174 HydrophobicContact CE2-CB 4.27Å; F123-A174 HydrophobicContact CG-CB 3.99Å; F123-A174 HydrophobicContact CZ-CB 4.07Å; L128-A174 HydrophobicContact CD1-CB 3.56Å; P137-A174 HydrophobicContact CB-CB 3.9Å; P137-A174 HydrophobicContact CG-CB 3.53Å; A174-S178 VanDerWaalsContact O-CB 3.24Å; A174-S178 WeakPolarHBondContact O-CB 3.33Å; A174-S178 PolarHBondContact O-N 2.76Å
175	I	98.8	Very high	97.4	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.015	13%	0.134	C	C	.	.	H	α-helix	trans	-70.5	-59.6	-179.3	-61.2	169.7	0	0	0	109.7	T141 L144 V145 E167 G173 L177 S178 L179 V239 N241	T141-I175 HydrophobicContact CG2-CD1 3.7Å; T141-I175 HydrophobicContact CG2-CG1 3.66Å; L144-I175 HydrophobicContact CD2-CD1 3.88Å; V145-I175 HydrophobicContact CG2-CB 4.22Å; V145-I175 HydrophobicContact CG2-CG1 4.13Å; V145-I175 HydrophobicContact CG2-CG2 4.11Å; E167-I175 WeakPolarHBondContact OE1-CB 3.25Å; G173-I175 PolarHBondContact O-N 3Å; I175-L177 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.25Å; I175-S178 PolarHBondContact O-N 3.19Å; I175-S178 VanDerWaalsContact O-N 3.14Å; I175-L179 HydrophobicContact CG2-CD1 3.89Å; I175-L179 HydrophobicContact CG2-CG 4.36Å; I175-L179 WeakPolarHBondContact O-CG 3.24Å; I175-L179 PolarHBondContact O-N 3.31Å; I175-V239 HydrophobicContact CD1-CG2 4.39Å; I175-V239 HydrophobicContact CG2-CB 4.39Å; I175-V239 HydrophobicContact CG2-CG1 3.65Å; I175-V239 HydrophobicContact CG2-CG2 3.83Å; I175-N241 HydrophobicContact CD1-CB 4.18Å
176	S	98.6	Very high	97.2	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-54.6	-47	-178.1	-73	0	0	0	0	112.7	E167 S178 L179 L180	E167-S176 VanDerWaalsContact CB-OG 3.32Å; E167-S176 WeakPolarHBondContact CB-OG 3.43Å; E167-S176 WeakPolarHBondContact OE2-CB 3.28Å; E167-S176 PolarHBondContact OE2-N 3.1Å; E167-S176 PolarHBondContact OE2-OG 2.83Å; S176-S178 VanDerWaalsContact C-N 3.32Å; S176-S178 PolarHBondContact O-N 2.94Å; S176-L179 PolarHBondContact O-N 3.43Å; S176-L180 WeakPolarHBondContact O-CB 3.5Å; S176-L180 VanDerWaalsContact O-CG 3.23Å; S176-L180 WeakPolarHBondContact O-CG 3.47Å; S176-L180 PolarHBondContact O-N 3.47Å
177	L	98.8	Very high	97.1	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-65.7	-37	-178.3	-65.4	169.6	0	0	0	111.7	L126 L128 G173 I175 K181 N204 A205 L208 L210 L214	L126-L177 HydrophobicContact CD1-CB 3.72Å; L128-L177 HydrophobicContact CD2-CD1 4.07Å; G173-L177 WeakPolarHBondContact O-CB 3.2Å; G173-L177 WeakPolarHBondContact O-CD1 3.33Å; G173-L177 WeakPolarHBondContact O-CG 3.37Å; G173-L177 PolarHBondContact O-N 3.47Å; I175-L177 VanDerWaalsContact C-N 3.34Å; I175-L177 PolarHBondContact O-N 3.25Å; L177-K181 VanDerWaalsContact O-CB 3.3Å; L177-K181 WeakPolarHBondContact O-CB 3.24Å; L177-K181 PolarHBondContact O-N 3.02Å; L177-N204 HydrophobicContact CD1-CB 3.61Å; L177-A205 HydrophobicContact CD2-CB 3.75Å; L177-L208 HydrophobicContact CB-CD1 4.3Å; L177-L208 HydrophobicContact CD1-CD1 4.12Å; L177-L210 HydrophobicContact CB-CD1 4.31Å; L177-L210 HydrophobicContact CD2-CB 3.96Å; L177-L210 HydrophobicContact CD2-CD1 4Å; L177-L214 HydrophobicContact CD2-CD2 3.7Å; L177-L214 HydrophobicContact CG-CD2 4.12Å
178	S	98.6	Very high	97.1	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-70.7	-38.7	177.4	-170.6	0	0	0	0	112.2	R124 A174 I175 S176 K181 S182	R124-S178 WeakPolarHBondContact CD-OG 3.5Å; R124-S178 PolarHBondContact NE-OG 2.88Å; A174-S178 VanDerWaalsContact O-CB 3.24Å; A174-S178 WeakPolarHBondContact O-CB 3.33Å; A174-S178 PolarHBondContact O-N 2.76Å; I175-S178 PolarHBondContact O-N 3.19Å; I175-S178 VanDerWaalsContact O-N 3.14Å; S176-S178 VanDerWaalsContact C-N 3.32Å; S176-S178 PolarHBondContact O-N 2.94Å; S178-K181 PolarHBondContact O-N 3.29Å; S178-S182 WeakPolarHBondContact O-CB 3.19Å; S178-S182 PolarHBondContact O-N 2.97Å; S178-S182 VanDerWaalsContact O-N 3.09Å; S178-S182 PolarHBondContact O-OG 3.28Å
179	L	98.1	Very high	97	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.8	-47.9	172.5	-67.8	176.8	0	0	0	111.3	V145 V148 L149 I175 S176 K181 S182 L183 L186 V239	V145-L179 HydrophobicContact CG1-CD2 3.64Å; V145-L179 HydrophobicContact CG1-CG 4.07Å; V148-L179 HydrophobicContact CB-CD2 4.04Å; V148-L179 HydrophobicContact CG1-CD1 4Å; V148-L179 HydrophobicContact CG1-CD2 3.7Å; L149-L179 HydrophobicContact CD2-CD2 3.58Å; L149-L179 HydrophobicContact CG-CD2 3.75Å; I175-L179 HydrophobicContact CG2-CD1 3.89Å; I175-L179 HydrophobicContact CG2-CG 4.36Å; I175-L179 WeakPolarHBondContact O-CG 3.24Å; I175-L179 PolarHBondContact O-N 3.31Å; S176-L179 PolarHBondContact O-N 3.43Å; L179-K181 VanDerWaalsContact C-N 3.34Å; L179-K181 PolarHBondContact O-N 2.67Å; L179-S182 PolarHBondContact O-N 2.96Å; L179-L183 PolarHBondContact O-N 3.32Å; L179-L186 HydrophobicContact CB-CD2 3.56Å; L179-V239 HydrophobicContact CD1-CG1 4.35Å
180	L	97.8	Very high	97	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-61.4	-40.5	177.8	-72.5	175.5	0	0	0	112.4	S176 S182 L183 L186 A188 L210 R213 L214	S176-L180 WeakPolarHBondContact O-CB 3.5Å; S176-L180 VanDerWaalsContact O-CG 3.23Å; S176-L180 WeakPolarHBondContact O-CG 3.47Å; S176-L180 PolarHBondContact O-N 3.47Å; L180-S182 VanDerWaalsContact C-N 3.3Å; L180-S182 PolarHBondContact O-N 2.81Å; L180-L183 CarbonylContact O-C 3.46Å; L180-L186 HydrophobicContact CD2-CB 4.25Å; L180-L186 HydrophobicContact CD2-CD2 4.21Å; L180-L186 HydrophobicContact CD2-CG 4.26Å; L180-L186 WeakPolarHBondContact CD2-O 3.34Å; L180-A188 HydrophobicContact CD1-CB 4.02Å; L180-A188 HydrophobicContact CD2-CB 3.88Å; L180-A188 HydrophobicContact CG-CB 3.96Å; L180-L210 HydrophobicContact CB-CD1 4.36Å; L180-L210 HydrophobicContact CB-CD2 4.27Å; L180-L210 HydrophobicContact CD1-CB 4.47Å; L180-R213 HydrophobicContact CD1-CB 4.32Å; L180-R213 HydrophobicContact CD2-CB 3.84Å; L180-R213 PolarHBondContact O-NH1 3.23Å; L180-R213 PolarHBondContact O-NH2 3.01Å; L180-L214 HydrophobicContact CD1-CB 3.71Å; L180-L214 HydrophobicContact CD1-CD1 4.47Å
181	K	97.6	Very high	97	Very high	110 Å²	110	28 Å²	28	48%	0.478	15%	0.147	S	C	.	.	H	α-helix	trans	-62	-40.4	176.7	-177.5	63.5	172.8	-173.5	0	111.8	D125 L126 L177 S178 L179 L210	D125-K181 WeakPolarHBondContact OD2-CG 3.42Å; L126-K181 HydrophobicContact CD2-CB 4.06Å; L126-K181 HydrophobicContact CD2-CD 4.35Å; L126-K181 HydrophobicContact CD2-CG 3.87Å; L177-K181 VanDerWaalsContact O-CB 3.3Å; L177-K181 WeakPolarHBondContact O-CB 3.24Å; L177-K181 PolarHBondContact O-N 3.02Å; S178-K181 PolarHBondContact O-N 3.29Å; L179-K181 VanDerWaalsContact C-N 3.34Å; L179-K181 PolarHBondContact O-N 2.67Å; K181-L210 HydrophobicContact CB-CD1 4.32Å
182	S	96.4	Very high	97	Very high	41 Å²	41	28.2 Å²	28.2	29%	0.287	15%	0.145	S	C	.	.	H	α-helix	trans	-81	-28.9	-176.4	-58.5	0	0	0	0	113.3	S178 L179 L180	S178-S182 WeakPolarHBondContact O-CB 3.19Å; S178-S182 PolarHBondContact O-N 2.97Å; S178-S182 VanDerWaalsContact O-N 3.09Å; S178-S182 PolarHBondContact O-OG 3.28Å; L179-S182 PolarHBondContact O-N 2.96Å; L180-S182 VanDerWaalsContact C-N 3.3Å; L180-S182 PolarHBondContact O-N 2.81Å
183	L	94.3	Very high	97	Very high	29 Å²	29	33.4 Å²	33.4	15%	0.152	16%	0.164	C	C	.	.			trans	-122	97.7	-177.4	-62.7	176.8	0	0	0	110.4	L149 L152 Q153 L179 L180 Q185 L186 R213	L149-L183 HydrophobicContact CD2-CD1 3.58Å; L149-L183 HydrophobicContact CD2-CD2 4.33Å; L149-L183 HydrophobicContact CD2-CG 3.63Å; L152-L183 HydrophobicContact CB-CD1 4.17Å; L152-L183 HydrophobicContact CD1-CD1 3.63Å; Q153-L183 HydrophobicContact CG-CD2 4.42Å; L179-L183 PolarHBondContact O-N 3.32Å; L180-L183 CarbonylContact O-C 3.46Å; L183-Q185 PolarHBondContact O-N 2.87Å; L183-L186 HydrophobicContact CB-CB 3.74Å; L183-L186 WeakPolarHBondContact O-CB 3.37Å; L183-L186 PolarHBondContact O-N 3.37Å; L183-R213 PolarHBondContact O-NH1 3.12Å
184	P	92.4	Very high	96.9	Very high	96 Å²	96	34.2 Å²	34.2	62%	0.623	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-26.4	-177	-27.2	35.9	0	0	0	115.2	R213	P184-R213 PolarHBondContact O-NH1 3.04Å; P184-R213 VanDerWaalsContact O-NH1 3.14Å
185	Q	91.4	Very high	96.9	Very high	146 Å²	146	37.9 Å²	37.9	68%	0.682	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-4.9	178.8	-59.1	-63.7	-7.5	0	0	113	P162 L183	P162-Q185 WeakPolarHBondContact CB-O 3.46Å; L183-Q185 PolarHBondContact O-N 2.87Å
186	L	94.2	Very high	96.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.			trans	-75.2	137	179.4	-173.8	78.9	0	0	0	110	L152 P163 C165 L179 L180 L183 R213	L152-L186 HydrophobicContact CD1-CD1 4.33Å; P163-L186 HydrophobicContact CB-CD1 3.95Å; P163-L186 HydrophobicContact CG-CD1 3.95Å; P163-L186 WeakPolarHBondContact O-CD1 3.38Å; C165-L186 HydrophobicContact CB-CD1 4.08Å; C165-L186 HydrophobicContact CB-CD2 4.22Å; C165-L186 HydrophobicContact CB-CG 4.41Å; L179-L186 HydrophobicContact CB-CD2 3.56Å; L180-L186 HydrophobicContact CD2-CB 4.25Å; L180-L186 HydrophobicContact CD2-CD2 4.21Å; L180-L186 HydrophobicContact CD2-CG 4.26Å; L180-L186 WeakPolarHBondContact CD2-O 3.34Å; L183-L186 HydrophobicContact CB-CB 3.74Å; L183-L186 WeakPolarHBondContact O-CB 3.37Å; L183-L186 PolarHBondContact O-N 3.37Å; L186-R213 PolarHBondContact O-NH1 3.35Å
187	E	95.6	Very high	96.8	Very high	94 Å²	94	41.9 Å²	41.9	44%	0.439	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	140.7	161.3	-67.1	-174.5	178	0	0	109.5	P163 T164 C165	P163-E187 PolarHBondContact O-N 3.04Å; T164-E187 WeakPolarHBondContact CA-O 3.38Å; C165-E187 PolarHBondContact N-O 3.37Å
188	A	97.4	Very high	96.8	Very high	2 Å²	2	42 Å²	42	2%	0.017	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	137.3	-178.4	0	0	0	0	0	111.9	C165 L180 R213 L214 K215	C165-A188 HydrophobicContact CB-CB 4.45Å; C165-A188 CarbonylContact O-C 3.4Å; C165-A188 WeakPolarHBondContact O-CA 3.15Å; L180-A188 HydrophobicContact CD1-CB 4.02Å; L180-A188 HydrophobicContact CD2-CB 3.88Å; L180-A188 HydrophobicContact CG-CB 3.96Å; A188-R213 PolarHBondContact N-O 2.98Å; A188-L214 HydrophobicContact CB-CD1 3.84Å; A188-L214 WeakPolarHBondContact O-CA 3.46Å; A188-K215 PolarHBondContact O-N 3.39Å
189	F	97.9	Very high	96.8	Very high	42 Å²	42	45.3 Å²	45.3	18%	0.184	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	142.6	166	-56.4	-79	0	0	0	108.4	T164 C165 L166 E167 K215 Y217 F232 I235	T164-F189 HydrophobicContact CG2-CE2 4.43Å; C165-F189 PolarHBondContact O-N 2.89Å; L166-F189 CarbonylContact C-O 3.6Å; L166-F189 WeakPolarHBondContact CA-O 3.24Å; L166-F189 HydrophobicContact CD1-CB 3.8Å; E167-F189 PolarHBondContact N-O 2.84Å; F189-K215 WeakPolarHBondContact CA-O 3.35Å; F189-K215 HydrophobicContact CD1-CB 4Å; F189-K215 HydrophobicContact CE1-CB 4.39Å; F189-K215 HydrophobicContact CE1-CD 4.49Å; F189-Y217 HydrophobicContact CB-CE2 4.46Å; F189-Y217 AromaticContact CD1-CE2 3.93Å; F189-Y217 HydrophobicContact CD1-CE2 3.93Å; F189-F232 HydrophobicContact CB-CD1 3.95Å; F189-F232 HydrophobicContact CB-CE1 3.53Å; F189-F232 HydrophobicContact CB-CZ 4.42Å; F189-F232 HydrophobicContact CD1-CD1 4.22Å; F189-F232 AromaticContact CD1-CE1 3.87Å; F189-F232 HydrophobicContact CD1-CE1 3.87Å; F189-F232 HydrophobicContact CD2-CD1 4.15Å; F189-F232 HydrophobicContact CD2-CE1 4.45Å; F189-F232 AromaticContact CG-CD1 3.83Å; F189-F232 HydrophobicContact CG-CD1 3.83Å; F189-F232 AromaticContact CG-CE1 3.69Å; F189-F232 HydrophobicContact CG-CE1 3.69Å; F189-I235 HydrophobicContact CD2-CD1 3.97Å; F189-I235 HydrophobicContact CE2-CD1 4.33Å
190	A	98.2	Very high	96.9	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	137.8	179.5	0	0	0	0	0	110.5	E167 C170 L214 K215 V216 Y217	E167-A190 HydrophobicContact CB-CB 4.45Å; E167-A190 CarbonylContact O-C 3.5Å; E167-A190 WeakPolarHBondContact O-CA 3.28Å; C170-A190 HydrophobicContact CB-CB 3.69Å; A190-L214 HydrophobicContact CB-CD1 3.99Å; A190-K215 PolarHBondContact N-O 3.09Å; A190-V216 HydrophobicContact CB-CG1 4.35Å; A190-V216 HydrophobicContact CB-CG2 4.28Å; A190-V216 CarbonylContact O-C 3.56Å; A190-V216 WeakPolarHBondContact O-CA 3.41Å; A190-Y217 PolarHBondContact O-N 2.85Å
191	L	98.1	Very high	96.9	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	133.1	174.6	-58.6	174.4	0	0	0	108.7	L166 E167 V168 G169 C170 Y217 M219 M228 F232	L166-L191 HydrophobicContact CD1-CD1 4.07Å; L166-L191 HydrophobicContact CD1-CG 3.97Å; L166-L191 HydrophobicContact CD2-CD1 4.43Å; E167-L191 PolarHBondContact O-N 2.89Å; V168-L191 HydrophobicContact CG2-CD1 4.19Å; G169-L191 WeakPolarHBondContact CA-O 3.28Å; G169-L191 PolarHBondContact N-O 2.89Å; C170-L191 PolarHBondContact N-O 3.29Å; L191-Y217 HydrophobicContact CD2-CD2 4.29Å; L191-Y217 HydrophobicContact CD2-CG 4.47Å; L191-M219 HydrophobicContact CD2-CB 4.23Å; L191-M219 HydrophobicContact CD2-SD 4.15Å; L191-M228 HydrophobicContact CD1-CE 3.47Å; L191-M228 VanDerWaalsContact CD1-CE 3.47Å; L191-M228 HydrophobicContact CD1-SD 3.31Å; L191-M228 WeakPolarHBondContact CD1-SD 3.38Å; L191-M228 HydrophobicContact CD2-CE 4.04Å; L191-M228 HydrophobicContact CG-CE 4.28Å; L191-F232 HydrophobicContact CD1-CE2 4.24Å; L191-F232 HydrophobicContact CD2-CE2 3.75Å; L191-F232 HydrophobicContact CD2-CZ 3.65Å; L191-F232 HydrophobicContact CG-CE2 4.36Å; L191-F232 HydrophobicContact CG-CZ 4.41Å
192	E	98.2	Very high	97	Very high	16 Å²	16	44.5 Å²	44.5	8%	0.075	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	134.9	177.2	178.8	51	-107.8	0	0	110.2	G169 C170 G171 S194 A197 V198 Y217 H218 M219	G169-E192 VanDerWaalsContact C-OE2 3.28Å; C170-E192 PolarHBondContact N-OE2 3.43Å; G171-E192 PolarHBondContact N-OE2 2.82Å; E192-S194 PolarHBondContact OE1-N 3.46Å; E192-A197 HydrophobicContact CG-CB 3.47Å; E192-A197 VanDerWaalsContact CG-CB 3.47Å; E192-V198 HydrophobicContact CB-CG2 3.76Å; E192-V198 HydrophobicContact CG-CG2 3.91Å; E192-Y217 PolarHBondContact N-O 3.4Å; E192-H218 CarbonylContact O-C 3.59Å; E192-H218 VanDerWaalsContact O-CA 3.24Å; E192-H218 WeakPolarHBondContact O-CA 3.44Å; E192-H218 PolarHBondContact O-CD2 2.92Å; E192-M219 CarbonylContact C-O 3.55Å; E192-M219 VanDerWaalsContact C-O 3.27Å; E192-M219 PolarHBondContact O-N 2.97Å
193	R	97.1	Very high	97.1	Very high	113 Å²	113	45.9 Å²	45.9	43%	0.426	23%	0.226	S	C	.	.	S	Bend	trans	-87.6	-19.9	-177.4	55.2	168.6	-85.2	172.4	-2.4	113.1	H218 M219 D220	R193-H218 PolarHBondContact O-NE2 3.11Å; R193-H218 VanDerWaalsContact O-NE2 3.1Å; R193-M219 PolarHBondContact N-O 2.68Å; R193-D220 HydrophobicContact CB-CB 4.19Å
194	S	97.7	Very high	97.3	Very high	19 Å²	19	44.5 Å²	44.5	13%	0.133	22%	0.219	C	C	.	.			trans	-98.5	121.5	-179.2	173.6	0	0	0	0	110.6	E192 D196 A197 V198	E192-S194 PolarHBondContact OE1-N 3.46Å; S194-D196 VanDerWaalsContact C-N 3.27Å; S194-D196 PolarHBondContact O-N 2.89Å; S194-A197 PolarHBondContact O-N 3.31Å; S194-A197 VanDerWaalsContact O-N 3.13Å; S194-V198 WeakPolarHBondContact O-CG2 3.36Å; S194-V198 PolarHBondContact O-N 3Å
195	Q	97.8	Very high	97.6	Very high	83 Å²	83	40 Å²	40	39%	0.388	19%	0.19	S	C	.	.	H	α-helix	trans	-60.1	-37.7	176.3	-172	63.3	58.9	0	0	111.9	A197 V198 D199 H218	Q195-A197 PolarHBondContact O-N 3.19Å; Q195-V198 PolarHBondContact O-N 3.2Å; Q195-D199 PolarHBondContact NE2-OD1 3.21Å; Q195-D199 VanDerWaalsContact O-CG 3.25Å; Q195-D199 PolarHBondContact O-N 3.22Å; Q195-H218 PolarHBondContact OE1-CE1 3.48Å; Q195-H218 PolarHBondContact OE1-ND1 3.01Å
196	D	97.9	Very high	97.9	Very high	83 Å²	83	36.7 Å²	36.7	44%	0.444	18%	0.183	S	C	.	.	H	α-helix	trans	-60.6	-36.7	177.3	-67.8	-29.7	0	0	0	111.9	P133 V134 S194 L200	P133-D196 WeakPolarHBondContact CD-OD2 3.35Å; V134-D196 HydrophobicContact CG2-CB 4.28Å; S194-D196 VanDerWaalsContact C-N 3.27Å; S194-D196 PolarHBondContact O-N 2.89Å; D196-L200 WeakPolarHBondContact O-CB 3.31Å; D196-L200 PolarHBondContact O-N 3.16Å; D196-L200 VanDerWaalsContact O-N 3.08Å
197	A	98.4	Very high	98.1	Very high	3 Å²	3	41.8 Å²	41.8	3%	0.025	20%	0.202	C	C	.	.	H	α-helix	trans	-76.1	-38.7	177.4	0	0	0	0	0	112.1	V134 G171 E192 S194 Q195 D199 L200 S201	V134-A197 HydrophobicContact CG1-CB 3.97Å; V134-A197 HydrophobicContact CG2-CB 4.05Å; G171-A197 CarbonylContact O-C 3.56Å; G171-A197 WeakPolarHBondContact O-CB 3.21Å; E192-A197 HydrophobicContact CG-CB 3.47Å; E192-A197 VanDerWaalsContact CG-CB 3.47Å; S194-A197 PolarHBondContact O-N 3.31Å; S194-A197 VanDerWaalsContact O-N 3.13Å; Q195-A197 PolarHBondContact O-N 3.19Å; A197-D199 PolarHBondContact O-N 3.38Å; A197-L200 PolarHBondContact O-N 2.79Å; A197-S201 WeakPolarHBondContact O-CB 3.43Å; A197-S201 PolarHBondContact O-N 3.41Å; A197-S201 PolarHBondContact O-OG 3.46Å; A197-S201 VanDerWaalsContact O-OG 3.1Å
198	V	98.7	Very high	98.3	Very high	4 Å²	4	39.7 Å²	39.7	2%	0.024	19%	0.194	C	C	.	.	H	α-helix	trans	-56.4	-51.1	171.1	171.5	0	0	0	0	110.4	E192 S194 Q195 L200 S201 Q202 V216 H218	E192-V198 HydrophobicContact CB-CG2 3.76Å; E192-V198 HydrophobicContact CG-CG2 3.91Å; S194-V198 WeakPolarHBondContact O-CG2 3.36Å; S194-V198 PolarHBondContact O-N 3Å; Q195-V198 PolarHBondContact O-N 3.2Å; V198-L200 VanDerWaalsContact C-N 3.33Å; V198-L200 PolarHBondContact O-N 2.68Å; V198-S201 PolarHBondContact O-N 2.98Å; V198-Q202 WeakPolarHBondContact O-CG 3.48Å; V198-Q202 PolarHBondContact O-N 3.45Å; V198-V216 HydrophobicContact CB-CG1 4.34Å; V198-V216 HydrophobicContact CG1-CG1 4.02Å; V198-V216 HydrophobicContact CG2-CG1 4.13Å; V198-H218 HydrophobicContact CG2-CB 3.97Å
199	D	98.6	Very high	98.3	Very high	69 Å²	69	42.2 Å²	42.2	37%	0.369	22%	0.219	S	C	.	.	H	α-helix	trans	-62.6	-41.6	-178.9	-66.6	-9.8	0	0	0	111.1	Q195 A197 E203	Q195-D199 PolarHBondContact NE2-OD1 3.21Å; Q195-D199 VanDerWaalsContact O-CG 3.25Å; Q195-D199 PolarHBondContact O-N 3.22Å; A197-D199 PolarHBondContact O-N 3.38Å; D199-E203 WeakPolarHBondContact O-CB 3.23Å; D199-E203 PolarHBondContact O-N 2.96Å
200	L	98.7	Very high	98.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-66.7	-42.3	176.8	-174.3	60.4	0	0	0	112.9	K129 R131 V134 D196 A197 V198 Q202 E203 N204	K129-L200 HydrophobicContact CB-CD1 3.8Å; R131-L200 HydrophobicContact CG-CD1 4.09Å; R131-L200 HydrophobicContact CG-CD2 4.02Å; R131-L200 VanDerWaalsContact NH2-CA 3.32Å; V134-L200 HydrophobicContact CB-CD2 3.77Å; V134-L200 HydrophobicContact CG1-CD2 3.86Å; V134-L200 HydrophobicContact CG2-CB 4.34Å; V134-L200 HydrophobicContact CG2-CD2 3.81Å; D196-L200 WeakPolarHBondContact O-CB 3.31Å; D196-L200 PolarHBondContact O-N 3.16Å; D196-L200 VanDerWaalsContact O-N 3.08Å; A197-L200 PolarHBondContact O-N 2.79Å; V198-L200 VanDerWaalsContact C-N 3.33Å; V198-L200 PolarHBondContact O-N 2.68Å; L200-Q202 VanDerWaalsContact C-N 3.35Å; L200-E203 PolarHBondContact O-N 3.05Å; L200-N204 WeakPolarHBondContact O-CB 3.41Å; L200-N204 PolarHBondContact O-N 3.45Å; L200-N204 PolarHBondContact O-ND2 2.9Å
201	S	98.7	Very high	98.4	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-60.8	-44.4	176.2	-73.2	0	0	0	0	111.4	C170 G171 G173 A197 V198 N204 A205	C170-S201 PolarHBondContact SG-OG 2.84Å; G171-S201 PolarHBondContact O-OG 3.05Å; G173-S201 PolarHBondContact N-OG 3.23Å; A197-S201 WeakPolarHBondContact O-CB 3.43Å; A197-S201 PolarHBondContact O-N 3.41Å; A197-S201 PolarHBondContact O-OG 3.46Å; A197-S201 VanDerWaalsContact O-OG 3.1Å; V198-S201 PolarHBondContact O-N 2.98Å; S201-N204 PolarHBondContact O-N 3.09Å; S201-A205 WeakPolarHBondContact O-CB 3.31Å; S201-A205 PolarHBondContact O-N 3.36Å
202	Q	98.8	Very high	98.3	Very high	92 Å²	92	51.4 Å²	51.4	43%	0.43	27%	0.268	S	S	.	.	H	α-helix	trans	-66.6	-41.6	177.2	-71.1	178.2	-9.2	0	0	112.2	V198 L200 N204 A205 S206 V216	V198-Q202 WeakPolarHBondContact O-CG 3.48Å; V198-Q202 PolarHBondContact O-N 3.45Å; L200-Q202 VanDerWaalsContact C-N 3.35Å; Q202-N204 PolarHBondContact O-N 2.91Å; Q202-A205 WeakPolarHBondContact O-CB 3.3Å; Q202-A205 PolarHBondContact O-N 3.4Å; Q202-S206 PolarHBondContact O-N 3.11Å; Q202-V216 HydrophobicContact CG-CB 4.19Å; Q202-V216 HydrophobicContact CG-CG2 4.07Å
203	E	98.7	Very high	98.3	Very high	71 Å²	71	53.9 Å²	53.9	33%	0.332	28%	0.277	S	S	.	.	H	α-helix	trans	-59.9	-46.1	174.3	-176.1	-176.6	152.3	0	0	111.2	R131 D199 L200 A205 S206 R207	R131-E203 IonicContact CZ-OE2 2.99Å; R131-E203 IonicContact NH1-OE2 2.96Å; R131-E203 PolarHBondContact NH1-OE2 3.35Å; R131-E203 IonicContact NH2-OE2 3.22Å; R131-E203 PolarHBondContact NH2-OE2 2.89Å; D199-E203 WeakPolarHBondContact O-CB 3.23Å; D199-E203 PolarHBondContact O-N 2.96Å; L200-E203 PolarHBondContact O-N 3.05Å; E203-A205 PolarHBondContact O-N 2.97Å; E203-S206 PolarHBondContact O-N 3.47Å; E203-R207 WeakPolarHBondContact O-CB 3.44Å; E203-R207 WeakPolarHBondContact O-CG 3.32Å; E203-R207 PolarHBondContact O-N 3.31Å
204	N	98.8	Very high	98.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-41.1	176.4	-80.3	-31.7	0	0	0	112.2	L128 K129 S172 L177 L200 S201 Q202 S206 R207 L208	L128-N204 HydrophobicContact CD2-CB 4.24Å; K129-N204 WeakPolarHBondContact CB-OD1 3.44Å; K129-N204 PolarHBondContact N-OD1 3.27Å; K129-N204 PolarHBondContact O-ND2 2.92Å; S172-N204 PolarHBondContact O-ND2 3.48Å; L177-N204 HydrophobicContact CD1-CB 3.61Å; L200-N204 WeakPolarHBondContact O-CB 3.41Å; L200-N204 PolarHBondContact O-N 3.45Å; L200-N204 PolarHBondContact O-ND2 2.9Å; S201-N204 PolarHBondContact O-N 3.09Å; Q202-N204 PolarHBondContact O-N 2.91Å; N204-S206 VanDerWaalsContact C-N 3.34Å; N204-S206 PolarHBondContact O-N 3.41Å; N204-R207 PolarHBondContact O-N 3.39Å; N204-R207 PolarHBondContact OD1-NH1 3.46Å; N204-R207 VanDerWaalsContact OD1-NH1 3.16Å; N204-L208 WeakPolarHBondContact O-CB 3.34Å; N204-L208 VanDerWaalsContact O-CG 3.26Å; N204-L208 WeakPolarHBondContact O-CG 3.34Å; N204-L208 PolarHBondContact O-N 3.3Å
205	A	98.8	Very high	98.4	Very high	2 Å²	2	53.7 Å²	53.7	2%	0.017	28%	0.277	C	S	.	.	H	α-helix	trans	-58.6	-46.4	174.7	0	0	0	0	0	111.7	L177 S201 Q202 E203 L208 G209 L210 Q211 L214	L177-A205 HydrophobicContact CD2-CB 3.75Å; S201-A205 WeakPolarHBondContact O-CB 3.31Å; S201-A205 PolarHBondContact O-N 3.36Å; Q202-A205 WeakPolarHBondContact O-CB 3.3Å; Q202-A205 PolarHBondContact O-N 3.4Å; E203-A205 PolarHBondContact O-N 2.97Å; A205-L208 PolarHBondContact O-N 3.32Å; A205-G209 PolarHBondContact O-N 3.45Å; A205-G209 VanDerWaalsContact O-N 3.07Å; A205-L210 PolarHBondContact O-N 3.03Å; A205-Q211 HydrophobicContact CB-CB 4.11Å; A205-Q211 PolarHBondContact O-N 3.05Å; A205-Q211 PolarHBondContact O-OE1 3.04Å; A205-L214 HydrophobicContact CB-CD2 4.04Å
206	S	98.6	Very high	98.4	Very high	75 Å²	75	50.5 Å²	50.5	52%	0.524	26%	0.264	S	S	.	.	H	α-helix	trans	-63.5	-47.8	177.8	-177.3	0	0	0	0	112.2	Q202 E203 N204 L208 G209	Q202-S206 PolarHBondContact O-N 3.11Å; E203-S206 PolarHBondContact O-N 3.47Å; N204-S206 VanDerWaalsContact C-N 3.34Å; N204-S206 PolarHBondContact O-N 3.41Å; S206-L208 PolarHBondContact O-N 3.11Å; S206-G209 PolarHBondContact O-N 3.15Å; S206-G209 VanDerWaalsContact O-N 3.08Å
207	R	98.5	Very high	98.4	Very high	107 Å²	107	48.2 Å²	48.2	40%	0.404	25%	0.249	S	C	.	.	H	α-helix	trans	-59.5	-32.2	178.4	-74.9	176.6	64	-118.5	-1.4	113.1	T127 K129 E203 N204	T127-R207 PolarHBondContact O-NH1 3.26Å; K129-R207 VanDerWaalsContact CG-NH1 3.31Å; K129-R207 VanDerWaalsContact N-NH1 3.16Å; E203-R207 WeakPolarHBondContact O-CB 3.44Å; E203-R207 WeakPolarHBondContact O-CG 3.32Å; E203-R207 PolarHBondContact O-N 3.31Å; N204-R207 PolarHBondContact O-N 3.39Å; N204-R207 PolarHBondContact OD1-NH1 3.46Å; N204-R207 VanDerWaalsContact OD1-NH1 3.16Å
208	L	98.4	Very high	98.4	Very high	51 Å²	51	52.9 Å²	52.9	27%	0.267	27%	0.27	S	S	.	.	H	α-helix	trans	-91.6	-5.3	-179.9	-65.2	172.2	0	0	0	113.5	L126 L128 L177 N204 A205 S206 L210	L126-L208 HydrophobicContact CB-CD1 4.38Å; L126-L208 HydrophobicContact CD1-CD1 3.96Å; L126-L208 HydrophobicContact CD2-CD1 4.03Å; L126-L208 HydrophobicContact CD2-CD2 4.23Å; L126-L208 HydrophobicContact CG-CD1 4.37Å; L128-L208 HydrophobicContact CD2-CD1 4.03Å; L177-L208 HydrophobicContact CB-CD1 4.3Å; L177-L208 HydrophobicContact CD1-CD1 4.12Å; N204-L208 WeakPolarHBondContact O-CB 3.34Å; N204-L208 VanDerWaalsContact O-CG 3.26Å; N204-L208 WeakPolarHBondContact O-CG 3.34Å; N204-L208 PolarHBondContact O-N 3.3Å; A205-L208 PolarHBondContact O-N 3.32Å; S206-L208 PolarHBondContact O-N 3.11Å; L208-L210 HydrophobicContact CB-CD1 3.94Å; L208-L210 HydrophobicContact CB-CG 4.16Å; L208-L210 HydrophobicContact CD1-CD1 4.42Å
209	G	98.4	Very high	98.3	Very high	54 Å²	54	53.8 Å²	53.8	56%	0.557	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	32.2	-177	0	0	0	0	0	113.6	A205 S206	A205-G209 PolarHBondContact O-N 3.45Å; A205-G209 VanDerWaalsContact O-N 3.07Å; S206-G209 PolarHBondContact O-N 3.15Å; S206-G209 VanDerWaalsContact O-N 3.08Å
210	L	98.4	Very high	98.1	Very high	12 Å²	12	51.5 Å²	51.5	6%	0.063	26%	0.262	C	S	.	.			trans	-115.3	1.4	-176.4	-63.1	171.3	0	0	0	113.1	L177 L180 K181 A205 L208 D212 R213 L214	L177-L210 HydrophobicContact CB-CD1 4.31Å; L177-L210 HydrophobicContact CD2-CB 3.96Å; L177-L210 HydrophobicContact CD2-CD1 4Å; L180-L210 HydrophobicContact CB-CD1 4.36Å; L180-L210 HydrophobicContact CB-CD2 4.27Å; L180-L210 HydrophobicContact CD1-CB 4.47Å; K181-L210 HydrophobicContact CB-CD1 4.32Å; A205-L210 PolarHBondContact O-N 3.03Å; L208-L210 HydrophobicContact CB-CD1 3.94Å; L208-L210 HydrophobicContact CB-CG 4.16Å; L208-L210 HydrophobicContact CD1-CD1 4.42Å; L210-D212 PolarHBondContact O-N 3.3Å; L210-R213 VanDerWaalsContact CD2-NH2 3.25Å; L210-R213 PolarHBondContact O-N 3.22Å; L210-R213 VanDerWaalsContact O-N 3.11Å; L210-L214 PolarHBondContact O-N 3.43Å
211	Q	98.3	Very high	97.9	Very high	81 Å²	81	51.9 Å²	51.9	38%	0.379	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-60.3	-29.1	-175.6	72.4	-74.4	-5.8	0	0	113.9	A205 R213 L214	A205-Q211 HydrophobicContact CB-CB 4.11Å; A205-Q211 PolarHBondContact O-N 3.05Å; A205-Q211 PolarHBondContact O-OE1 3.04Å; Q211-R213 PolarHBondContact O-N 3.31Å; Q211-L214 PolarHBondContact O-N 3.28Å
212	D	97.7	Very high	97.7	Very high	145 Å²	145	55.7 Å²	55.7	78%	0.775	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-71.9	-16.1	-178.9	-58.2	-27.1	0	0	0	112.5	L210	L210-D212 PolarHBondContact O-N 3.3Å
213	R	97.5	Very high	97.4	Very high	67 Å²	67	58.9 Å²	58.9	25%	0.253	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-115.3	1.8	-179.6	-61.4	-170.1	-66.2	136.2	-6.8	113.7	L180 L183 P184 L186 A188 L210 Q211	L180-R213 HydrophobicContact CD1-CB 4.32Å; L180-R213 HydrophobicContact CD2-CB 3.84Å; L180-R213 PolarHBondContact O-NH1 3.23Å; L180-R213 PolarHBondContact O-NH2 3.01Å; L183-R213 PolarHBondContact O-NH1 3.12Å; P184-R213 PolarHBondContact O-NH1 3.04Å; P184-R213 VanDerWaalsContact O-NH1 3.14Å; L186-R213 PolarHBondContact O-NH1 3.35Å; A188-R213 PolarHBondContact N-O 2.98Å; L210-R213 VanDerWaalsContact CD2-NH2 3.25Å; L210-R213 PolarHBondContact O-N 3.22Å; L210-R213 VanDerWaalsContact O-N 3.11Å; Q211-R213 PolarHBondContact O-N 3.31Å
214	L	98.2	Very high	97.1	Very high	16 Å²	16	57 Å²	57	8%	0.084	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117.8	175.8	-178.3	58.8	0	0	0	110.2	L177 L180 A188 A190 A205 L210 Q211 V216	L177-L214 HydrophobicContact CD2-CD2 3.7Å; L177-L214 HydrophobicContact CG-CD2 4.12Å; L180-L214 HydrophobicContact CD1-CB 3.71Å; L180-L214 HydrophobicContact CD1-CD1 4.47Å; A188-L214 HydrophobicContact CB-CD1 3.84Å; A188-L214 WeakPolarHBondContact O-CA 3.46Å; A190-L214 HydrophobicContact CB-CD1 3.99Å; A205-L214 HydrophobicContact CB-CD2 4.04Å; L210-L214 PolarHBondContact O-N 3.43Å; Q211-L214 PolarHBondContact O-N 3.28Å; L214-V216 HydrophobicContact CD1-CG2 4.4Å; L214-V216 HydrophobicContact CD2-CG2 3.93Å; L214-V216 HydrophobicContact CG-CG2 3.84Å
215	K	97.8	Very high	96.6	Very high	112 Å²	112	57.9 Å²	57.9	49%	0.487	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	110.9	170.5	-169.1	170.3	177.9	-161.3	0	110.6	A188 F189 A190 Y217	A188-K215 PolarHBondContact O-N 3.39Å; F189-K215 WeakPolarHBondContact CA-O 3.35Å; F189-K215 HydrophobicContact CD1-CB 4Å; F189-K215 HydrophobicContact CE1-CB 4.39Å; F189-K215 HydrophobicContact CE1-CD 4.49Å; A190-K215 PolarHBondContact N-O 3.09Å; K215-Y217 HydrophobicContact CB-CE2 4.26Å; K215-Y217 HydrophobicContact CD-CE1 4.2Å; K215-Y217 HydrophobicContact CD-CE2 4.03Å; K215-Y217 WeakPolarHBondContact CD-OH 3.43Å; K215-Y217 WeakPolarHBondContact CE-OH 3.48Å; K215-Y217 HydrophobicContact CG-CD2 4.45Å; K215-Y217 HydrophobicContact CG-CE1 4.34Å; K215-Y217 HydrophobicContact CG-CE2 3.76Å; K215-Y217 PolarHBondContact NZ-OH 2.94Å
216	V	98.4	Very high	96	Very high	17 Å²	17	67.1 Å²	67.1	10%	0.103	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	128.5	179.2	-169	0	0	0	0	109.9	A190 V198 Q202 L214	A190-V216 HydrophobicContact CB-CG1 4.35Å; A190-V216 HydrophobicContact CB-CG2 4.28Å; A190-V216 CarbonylContact O-C 3.56Å; A190-V216 WeakPolarHBondContact O-CA 3.41Å; V198-V216 HydrophobicContact CB-CG1 4.34Å; V198-V216 HydrophobicContact CG1-CG1 4.02Å; V198-V216 HydrophobicContact CG2-CG1 4.13Å; Q202-V216 HydrophobicContact CG-CB 4.19Å; Q202-V216 HydrophobicContact CG-CG2 4.07Å; L214-V216 HydrophobicContact CD1-CG2 4.4Å; L214-V216 HydrophobicContact CD2-CG2 3.93Å; L214-V216 HydrophobicContact CG-CG2 3.84Å
217	Y	97.9	Very high	95.5	Very high	35 Å²	35	69.9 Å²	69.9	14%	0.137	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	130.6	175.9	-58.4	-93.6	0	0	0	110.5	F189 A190 L191 E192 K215 M219 L231 F232	F189-Y217 HydrophobicContact CB-CE2 4.46Å; F189-Y217 AromaticContact CD1-CE2 3.93Å; F189-Y217 HydrophobicContact CD1-CE2 3.93Å; A190-Y217 PolarHBondContact O-N 2.85Å; L191-Y217 HydrophobicContact CD2-CD2 4.29Å; L191-Y217 HydrophobicContact CD2-CG 4.47Å; E192-Y217 PolarHBondContact N-O 3.4Å; K215-Y217 HydrophobicContact CB-CE2 4.26Å; K215-Y217 HydrophobicContact CD-CE1 4.2Å; K215-Y217 HydrophobicContact CD-CE2 4.03Å; K215-Y217 WeakPolarHBondContact CD-OH 3.43Å; K215-Y217 WeakPolarHBondContact CE-OH 3.48Å; K215-Y217 HydrophobicContact CG-CD2 4.45Å; K215-Y217 HydrophobicContact CG-CE1 4.34Å; K215-Y217 HydrophobicContact CG-CE2 3.76Å; K215-Y217 PolarHBondContact NZ-OH 2.94Å; Y217-M219 PolarHBondContact O-N 2.74Å; Y217-M219 VanDerWaalsContact O-N 3.09Å; Y217-L231 HydrophobicContact CD1-CD2 3.84Å; Y217-L231 HydrophobicContact CD2-CD2 4.4Å; Y217-L231 HydrophobicContact CE1-CD1 3.83Å; Y217-L231 HydrophobicContact CE1-CD2 3.67Å; Y217-L231 HydrophobicContact CE1-CG 4.14Å; Y217-L231 HydrophobicContact CE2-CD2 4.24Å; Y217-L231 HydrophobicContact CG-CD2 4.18Å; Y217-F232 HydrophobicContact CD2-CE1 4.1Å; Y217-F232 AromaticContact CD2-CZ 3.78Å; Y217-F232 HydrophobicContact CD2-CZ 3.78Å; Y217-F232 AromaticContact CE2-CE1 3.53Å; Y217-F232 HydrophobicContact CE2-CE1 3.53Å; Y217-F232 AromaticContact CE2-CZ 3.66Å; Y217-F232 HydrophobicContact CE2-CZ 3.66Å
218	H	97.7	Very high	94.9	Very high	100 Å²	100	64.8 Å²	64.8	46%	0.463	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	93.2	168.4	-176.4	-168.1	0	0	0	109.1	E192 R193 Q195 V198	E192-H218 CarbonylContact O-C 3.59Å; E192-H218 VanDerWaalsContact O-CA 3.24Å; E192-H218 WeakPolarHBondContact O-CA 3.44Å; E192-H218 PolarHBondContact O-CD2 2.92Å; R193-H218 PolarHBondContact O-NE2 3.11Å; R193-H218 VanDerWaalsContact O-NE2 3.1Å; Q195-H218 PolarHBondContact OE1-CE1 3.48Å; Q195-H218 PolarHBondContact OE1-ND1 3.01Å; V198-H218 HydrophobicContact CG2-CB 3.97Å
219	M	96.8	Very high	94	Very high	24 Å²	24	64.9 Å²	64.9	12%	0.118	33%	0.325	C	S	.	.			trans	-147.7	142.7	-177	-67.6	-178.3	74.2	0	0	110.3	L191 E192 R193 Y217 D224 K227 M228 L231	L191-M219 HydrophobicContact CD2-CB 4.23Å; L191-M219 HydrophobicContact CD2-SD 4.15Å; E192-M219 CarbonylContact C-O 3.55Å; E192-M219 VanDerWaalsContact C-O 3.27Å; E192-M219 PolarHBondContact O-N 2.97Å; R193-M219 PolarHBondContact N-O 2.68Å; Y217-M219 PolarHBondContact O-N 2.74Å; Y217-M219 VanDerWaalsContact O-N 3.09Å; M219-D224 HydrophobicContact CB-CB 4.39Å; M219-D224 HydrophobicContact CE-CB 3.67Å; M219-K227 HydrophobicContact CE-CB 3.82Å; M219-K227 HydrophobicContact CE-CD 4.32Å; M219-M228 HydrophobicContact CB-CE 3.96Å; M219-M228 HydrophobicContact CE-CE 3.83Å; M219-M228 HydrophobicContact CE-CG 4.03Å; M219-M228 HydrophobicContact SD-CE 4.37Å; M219-L231 HydrophobicContact SD-CD2 3.81Å
220	D	95.8	Very high	93	Very high	21 Å²	21	66.2 Å²	66.2	11%	0.112	34%	0.34	C	S	.	.			trans	-99.1	113.4	175.6	-178.1	-26.9	0	0	0	108.4	R193 I222 K223 D224	R193-D220 HydrophobicContact CB-CB 4.19Å; D220-I222 PolarHBondContact O-N 2.93Å; D220-I222 WeakPolarHBondContact OD1-CB 3.44Å; D220-I222 PolarHBondContact OD1-N 3.41Å; D220-K223 HydrophobicContact CB-CB 4.11Å; D220-K223 HydrophobicContact CB-CD 4.29Å; D220-K223 HydrophobicContact CB-CG 4.31Å; D220-K223 PolarHBondContact O-N 3.12Å; D220-K223 WeakPolarHBondContact OD2-CD 3.34Å; D220-K223 VanDerWaalsContact OD2-CE 3.31Å; D220-K223 WeakPolarHBondContact OD2-CE 3.35Å; D220-K223 IonicContact OD2-NZ 2.85Å; D220-K223 PolarHBondContact OD2-NZ 3.03Å; D220-D224 PolarHBondContact N-OD2 3.05Å; D220-D224 WeakPolarHBondContact O-CB 3.35Å; D220-D224 PolarHBondContact O-N 3.08Å
221	V	94.8	Very high	92.4	Very high	8 Å²	8	68.7 Å²	68.7	5%	0.048	35%	0.352	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-29.1	-175.6	74.5	0	0	0	0	112.8	V168 A225 M228 V275 Q278 L282	V168-V221 HydrophobicContact CG1-CB 3.88Å; V168-V221 HydrophobicContact CG1-CG1 3.98Å; V168-V221 HydrophobicContact CG1-CG2 4.04Å; V221-A225 WeakPolarHBondContact O-CB 3.27Å; V221-M228 HydrophobicContact CB-CE 4.42Å; V221-M228 HydrophobicContact CG2-CE 4.4Å; V221-M228 HydrophobicContact CG2-SD 4.25Å; V221-V275 HydrophobicContact CG1-CG1 3.91Å; V221-Q278 HydrophobicContact CG1-CB 4.47Å; V221-Q278 HydrophobicContact CG1-CG 4.26Å; V221-Q278 HydrophobicContact CG2-CG 4.05Å; V221-Q278 WeakPolarHBondContact O-CG 3.5Å; V221-L282 HydrophobicContact CG2-CD2 4.11Å
222	I	92.9	Very high	91.8	Very high	80 Å²	80	64.9 Å²	64.9	41%	0.41	34%	0.335	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-39.8	177.9	-61.2	178.2	0	0	0	111.2	D220 V275 Q278	D220-I222 PolarHBondContact O-N 2.93Å; D220-I222 WeakPolarHBondContact OD1-CB 3.44Å; D220-I222 PolarHBondContact OD1-N 3.41Å; I222-V275 HydrophobicContact CD1-CG2 3.91Å; I222-Q278 HydrophobicContact CG1-CB 4.21Å; I222-Q278 HydrophobicContact CG1-CG 4.32Å
223	K	93.7	Very high	91.1	Very high	158 Å²	158	62.3 Å²	62.3	69%	0.687	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.6	-25.6	-173.5	-61.6	177.2	-171.4	132.6	0	113.9	D220	D220-K223 HydrophobicContact CB-CB 4.11Å; D220-K223 HydrophobicContact CB-CD 4.29Å; D220-K223 HydrophobicContact CB-CG 4.31Å; D220-K223 PolarHBondContact O-N 3.12Å; D220-K223 WeakPolarHBondContact OD2-CD 3.34Å; D220-K223 VanDerWaalsContact OD2-CE 3.31Å; D220-K223 WeakPolarHBondContact OD2-CE 3.35Å; D220-K223 IonicContact OD2-NZ 2.85Å; D220-K223 PolarHBondContact OD2-NZ 3.03Å
224	D	92.8	Very high	90.6	Very high	33 Å²	33	62.9 Å²	62.9	18%	0.176	34%	0.342	C	S	.	.	S	Bend	trans	-113.4	12.3	-170.4	-63.1	-60.6	0	0	0	112.8	M219 D220 E226 K227 M228	M219-D224 HydrophobicContact CB-CB 4.39Å; M219-D224 HydrophobicContact CE-CB 3.67Å; D220-D224 PolarHBondContact N-OD2 3.05Å; D220-D224 WeakPolarHBondContact O-CB 3.35Å; D220-D224 PolarHBondContact O-N 3.08Å; D224-E226 VanDerWaalsContact C-N 3.25Å; D224-E226 PolarHBondContact O-N 3.18Å; D224-K227 HydrophobicContact CB-CD 4.3Å; D224-K227 WeakPolarHBondContact O-CB 3.49Å; D224-K227 PolarHBondContact O-N 2.87Å; D224-K227 IonicContact OD1-NZ 3.19Å; D224-K227 PolarHBondContact OD1-NZ 2.89Å; D224-M228 HydrophobicContact CB-CE 4.37Å
225	A	86.4	Confident	90.4	Very high	18 Å²	18	62.2 Å²	62.2	15%	0.149	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-49.7	-43.6	-177.3	0	0	0	0	0	113.2	V221 K227 M228 P229	V221-A225 WeakPolarHBondContact O-CB 3.27Å; A225-K227 PolarHBondContact O-N 3.11Å; A225-K227 VanDerWaalsContact O-N 3.11Å; A225-M228 WeakPolarHBondContact O-CB 3.3Å; A225-M228 PolarHBondContact O-N 3.05Å; A225-M228 VanDerWaalsContact O-N 3.08Å; A225-P229 WeakPolarHBondContact O-CD 3.34Å
226	E	86.9	Confident	90.2	Very high	195 Å²	195	58.5 Å²	58.5	91%	0.911	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-62	-21.6	-178.6	-60	-177.6	175.5	0	0	113.6	D224	D224-E226 VanDerWaalsContact C-N 3.25Å; D224-E226 PolarHBondContact O-N 3.18Å
227	K	88.7	Confident	90.1	Very high	133 Å²	133	57.9 Å²	57.9	58%	0.578	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-86.7	-12.8	-179.7	-59.2	172.9	-172.6	159.7	0	112.8	M219 D224 A225	M219-K227 HydrophobicContact CE-CB 3.82Å; M219-K227 HydrophobicContact CE-CD 4.32Å; D224-K227 HydrophobicContact CB-CD 4.3Å; D224-K227 WeakPolarHBondContact O-CB 3.49Å; D224-K227 PolarHBondContact O-N 2.87Å; D224-K227 IonicContact OD1-NZ 3.19Å; D224-K227 PolarHBondContact OD1-NZ 2.89Å; A225-K227 PolarHBondContact O-N 3.11Å; A225-K227 VanDerWaalsContact O-N 3.11Å
228	M	85.6	Confident	90.2	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.317	C	S	.	.	S	Bend	trans	-81.6	-40.1	-167.6	-61.8	-159.9	176.2	0	0	115.2	L191 M219 V221 D224 A225 G230 L231 F232 L282	L191-M228 HydrophobicContact CD1-CE 3.47Å; L191-M228 VanDerWaalsContact CD1-CE 3.47Å; L191-M228 HydrophobicContact CD1-SD 3.31Å; L191-M228 WeakPolarHBondContact CD1-SD 3.38Å; L191-M228 HydrophobicContact CD2-CE 4.04Å; L191-M228 HydrophobicContact CG-CE 4.28Å; M219-M228 HydrophobicContact CB-CE 3.96Å; M219-M228 HydrophobicContact CE-CE 3.83Å; M219-M228 HydrophobicContact CE-CG 4.03Å; M219-M228 HydrophobicContact SD-CE 4.37Å; V221-M228 HydrophobicContact CB-CE 4.42Å; V221-M228 HydrophobicContact CG2-CE 4.4Å; V221-M228 HydrophobicContact CG2-SD 4.25Å; D224-M228 HydrophobicContact CB-CE 4.37Å; A225-M228 WeakPolarHBondContact O-CB 3.3Å; A225-M228 PolarHBondContact O-N 3.05Å; A225-M228 VanDerWaalsContact O-N 3.08Å; M228-G230 PolarHBondContact O-N 3.43Å; M228-G230 VanDerWaalsContact O-N 3.12Å; M228-L231 PolarHBondContact O-N 3.49Å; M228-F232 HydrophobicContact CB-CD2 4.2Å; M228-F232 HydrophobicContact CB-CE2 4.41Å; M228-F232 HydrophobicContact CG-CE2 4.44Å; M228-F232 PolarHBondContact O-N 2.89Å; M228-L282 HydrophobicContact CB-CD1 3.75Å; M228-L282 HydrophobicContact CB-CD2 4.13Å; M228-L282 HydrophobicContact CG-CD2 4.4Å; M228-L282 HydrophobicContact SD-CD2 3.48Å; M228-L282 WeakPolarHBondContact SD-CD2 3.43Å
229	P	78.6	Confident	90.2	Very high	53 Å²	53	51.5 Å²	51.5	34%	0.344	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-25.7	178.5	-27.7	36.4	0	0	0	114.4	A225 L282 D285	A225-P229 WeakPolarHBondContact O-CD 3.34Å; P229-L282 HydrophobicContact CG-CD1 4.37Å; P229-D285 HydrophobicContact CB-CB 4.16Å; P229-D285 HydrophobicContact CG-CB 3.86Å
230	G	78.5	Confident	90.3	Very high	83 Å²	83	50.3 Å²	50.3	86%	0.856	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-15.1	174.6	0	0	0	0	0	114.6	M228	M228-G230 PolarHBondContact O-N 3.43Å; M228-G230 VanDerWaalsContact O-N 3.12Å
231	L	84.8	Confident	90.4	Very high	63 Å²	63	50.5 Å²	50.5	33%	0.33	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-29.7	-176.8	-170.7	60	0	0	0	112.3	Y217 M219 M228	Y217-L231 HydrophobicContact CD1-CD2 3.84Å; Y217-L231 HydrophobicContact CD2-CD2 4.4Å; Y217-L231 HydrophobicContact CE1-CD1 3.83Å; Y217-L231 HydrophobicContact CE1-CD2 3.67Å; Y217-L231 HydrophobicContact CE1-CG 4.14Å; Y217-L231 HydrophobicContact CE2-CD2 4.24Å; Y217-L231 HydrophobicContact CG-CD2 4.18Å; M219-L231 HydrophobicContact SD-CD2 3.81Å; M228-L231 PolarHBondContact O-N 3.49Å
232	F	87.3	Confident	90.6	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.009	29%	0.288	C	S	.	.			trans	-129.4	130	-178.8	-48	-65.3	0	0	0	109.4	L166 F189 L191 Y217 M228 I235 V286	L166-F232 HydrophobicContact CD1-CD1 4.2Å; L166-F232 HydrophobicContact CD1-CD2 4.29Å; L166-F232 HydrophobicContact CD1-CE1 4.06Å; L166-F232 HydrophobicContact CD1-CE2 4.15Å; L166-F232 HydrophobicContact CD1-CG 4.31Å; L166-F232 HydrophobicContact CD1-CZ 4.03Å; L166-F232 HydrophobicContact CD2-CD2 4.22Å; L166-F232 HydrophobicContact CD2-CG 4.39Å; F189-F232 HydrophobicContact CB-CD1 3.95Å; F189-F232 HydrophobicContact CB-CE1 3.53Å; F189-F232 HydrophobicContact CB-CZ 4.42Å; F189-F232 HydrophobicContact CD1-CD1 4.22Å; F189-F232 AromaticContact CD1-CE1 3.87Å; F189-F232 HydrophobicContact CD1-CE1 3.87Å; F189-F232 HydrophobicContact CD2-CD1 4.15Å; F189-F232 HydrophobicContact CD2-CE1 4.45Å; F189-F232 AromaticContact CG-CD1 3.83Å; F189-F232 HydrophobicContact CG-CD1 3.83Å; F189-F232 AromaticContact CG-CE1 3.69Å; F189-F232 HydrophobicContact CG-CE1 3.69Å; L191-F232 HydrophobicContact CD1-CE2 4.24Å; L191-F232 HydrophobicContact CD2-CE2 3.75Å; L191-F232 HydrophobicContact CD2-CZ 3.65Å; L191-F232 HydrophobicContact CG-CE2 4.36Å; L191-F232 HydrophobicContact CG-CZ 4.41Å; Y217-F232 HydrophobicContact CD2-CE1 4.1Å; Y217-F232 AromaticContact CD2-CZ 3.78Å; Y217-F232 HydrophobicContact CD2-CZ 3.78Å; Y217-F232 AromaticContact CE2-CE1 3.53Å; Y217-F232 HydrophobicContact CE2-CE1 3.53Å; Y217-F232 AromaticContact CE2-CZ 3.66Å; Y217-F232 HydrophobicContact CE2-CZ 3.66Å; M228-F232 HydrophobicContact CB-CD2 4.2Å; M228-F232 HydrophobicContact CB-CE2 4.41Å; M228-F232 HydrophobicContact CG-CE2 4.44Å; M228-F232 PolarHBondContact O-N 2.89Å; F232-I235 HydrophobicContact CB-CD1 4.24Å; F232-I235 HydrophobicContact CB-CG1 4.07Å; F232-V286 HydrophobicContact CB-CB 4.3Å; F232-V286 HydrophobicContact CB-CG1 4.16Å
233	S	81.6	Confident	90.8	Very high	90 Å²	90	47.2 Å²	47.2	63%	0.629	27%	0.274	S	S	*	.			trans	-141.6	153.3	169	59.2	0	0	0	0	109.5	I235	S233-I235 VanDerWaalsContact C-N 3.29Å; S233-I235 PolarHBondContact O-N 3.17Å
234	S	88.1	Confident	90.9	Very high	80 Å²	80	41.3 Å²	41.3	56%	0.559	25%	0.248	S	C	*	.	S	Bend	trans	58.1	37.9	177.7	-52	0	0	0	0	113.9	T164 S236 V286	T164-S234 PolarHBondContact OG1-O 2.98Å; S234-S236 PolarHBondContact O-N 3.44Å; S234-V286 PolarHBondContact N-O 3.38Å
235	I	94.1	Very high	91.2	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	123.1	174.8	-60.9	-59.7	0	0	0	109.8	T164 L166 F189 F232 S233 V237 V286 L287 S288	T164-I235 WeakPolarHBondContact OG1-CA 3.32Å; L166-I235 HydrophobicContact CB-CD1 4.27Å; L166-I235 HydrophobicContact CB-CG1 4.18Å; L166-I235 HydrophobicContact CB-CG2 3.78Å; F189-I235 HydrophobicContact CD2-CD1 3.97Å; F189-I235 HydrophobicContact CE2-CD1 4.33Å; F232-I235 HydrophobicContact CB-CD1 4.24Å; F232-I235 HydrophobicContact CB-CG1 4.07Å; S233-I235 VanDerWaalsContact C-N 3.29Å; S233-I235 PolarHBondContact O-N 3.17Å; I235-V237 WeakPolarHBondContact CG2-O 3.48Å; I235-V286 WeakPolarHBondContact CB-O 3.48Å; I235-V286 HydrophobicContact CG1-CB 4.34Å; I235-V286 WeakPolarHBondContact CG1-O 3.31Å; I235-V286 PolarHBondContact N-O 3.09Å; I235-L287 HydrophobicContact CB-CD2 4.28Å; I235-L287 HydrophobicContact CG2-CD2 4.08Å; I235-L287 CarbonylContact O-C 3.56Å; I235-L287 WeakPolarHBondContact O-CA 3.35Å; I235-L287 VanDerWaalsContact O-CD2 3.3Å; I235-L287 WeakPolarHBondContact O-CD2 3.21Å; I235-S288 PolarHBondContact O-N 3.16Å; I235-S288 PolarHBondContact O-OG 2.76Å
236	S	93.7	Very high	91.7	Very high	35 Å²	35	41.3 Å²	41.3	25%	0.245	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	-40.4	178.6	-55.9	0	0	0	0	111.6	T164 S234 G291 R292	T164-S236 WeakPolarHBondContact O-CB 3.45Å; T164-S236 PolarHBondContact O-N 3.18Å; T164-S236 PolarHBondContact OG1-N 2.84Å; S234-S236 PolarHBondContact O-N 3.44Å; S236-G291 VanDerWaalsContact O-CA 3.25Å; S236-G291 WeakPolarHBondContact O-CA 3.3Å; S236-R292 PolarHBondContact O-N 2.9Å; S236-R292 VanDerWaalsContact O-N 3.15Å
237	V	96.5	Very high	92.2	Very high	4 Å²	4	34.1 Å²	34.1	2%	0.024	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	127.1	-179.6	172.2	0	0	0	0	111.3	V148 L152 T164 C165 L166 I235 V239 R292 Y294	V148-V237 HydrophobicContact CG1-CG1 3.87Å; V148-V237 HydrophobicContact CG2-CG1 4.37Å; L152-V237 HydrophobicContact CD1-CG2 4.33Å; L152-V237 HydrophobicContact CD2-CG2 3.56Å; L152-V237 HydrophobicContact CG-CG2 3.97Å; T164-V237 PolarHBondContact O-N 2.85Å; C165-V237 CarbonylContact C-O 3.58Å; C165-V237 VanDerWaalsContact CA-O 3.28Å; C165-V237 WeakPolarHBondContact CA-O 3.37Å; L166-V237 PolarHBondContact N-O 2.8Å; I235-V237 WeakPolarHBondContact CG2-O 3.48Å; V237-V239 HydrophobicContact CG1-CB 4.47Å; V237-R292 WeakPolarHBondContact CA-O 3.11Å; V237-Y294 HydrophobicContact CB-CE2 4.5Å; V237-Y294 HydrophobicContact CG1-CD2 3.6Å; V237-Y294 HydrophobicContact CG1-CE2 3.67Å; V237-Y294 HydrophobicContact CG2-CE2 4.07Å
238	L	98.2	Very high	92.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.8	163.4	-166.4	160.9	0	0	0	108.5	L166 V168 I279 A283 V286 L287 R292 V293 Y294	L166-L238 HydrophobicContact CD2-CD1 4.22Å; L166-L238 HydrophobicContact CD2-CG 4.49Å; L166-L238 CarbonylContact O-C 3.57Å; L166-L238 VanDerWaalsContact O-CA 3.31Å; L166-L238 WeakPolarHBondContact O-CA 3.23Å; V168-L238 HydrophobicContact CG2-CD2 4.11Å; V168-L238 HydrophobicContact CG2-CG 4.45Å; L238-I279 HydrophobicContact CD1-CG2 4.16Å; L238-I279 HydrophobicContact CD2-CG2 3.37Å; L238-I279 HydrophobicContact CG-CG2 4.45Å; L238-A283 HydrophobicContact CD1-CB 4.36Å; L238-V286 HydrophobicContact CD1-CG2 4.08Å; L238-L287 HydrophobicContact CB-CD2 3.99Å; L238-R292 PolarHBondContact N-O 2.95Å; L238-V293 HydrophobicContact CB-CG2 4.31Å; L238-V293 HydrophobicContact CD2-CG1 4Å; L238-V293 CarbonylContact O-C 3.44Å; L238-V293 VanDerWaalsContact O-CA 3.26Å; L238-V293 WeakPolarHBondContact O-CA 3.41Å; L238-Y294 PolarHBondContact O-N 2.9Å
239	V	98.8	Very high	93.1	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	144.5	177.9	64.2	0	0	0	0	110.4	L144 V148 L166 E167 V168 I175 L179 V237 Y294	L144-V239 HydrophobicContact CD1-CG2 4.27Å; L144-V239 HydrophobicContact CD2-CG2 3.74Å; L144-V239 HydrophobicContact CG-CG2 3.92Å; V148-V239 HydrophobicContact CG2-CB 4.44Å; V148-V239 HydrophobicContact CG2-CG2 4.07Å; L166-V239 PolarHBondContact O-N 3.05Å; E167-V239 VanDerWaalsContact CA-O 3.28Å; E167-V239 WeakPolarHBondContact CA-O 3.24Å; E167-V239 HydrophobicContact CB-CG1 4.06Å; E167-V239 HydrophobicContact CG-CG1 4.28Å; V168-V239 PolarHBondContact N-O 2.93Å; I175-V239 HydrophobicContact CD1-CG2 4.39Å; I175-V239 HydrophobicContact CG2-CB 4.39Å; I175-V239 HydrophobicContact CG2-CG1 3.65Å; I175-V239 HydrophobicContact CG2-CG2 3.83Å; L179-V239 HydrophobicContact CD1-CG1 4.35Å; V237-V239 HydrophobicContact CG1-CB 4.47Å; V239-Y294 WeakPolarHBondContact CA-O 3.26Å
240	S	98.8	Very high	93.9	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	140.9	173.9	-173.6	0	0	0	0	111.6	V168 P242 I279 Y294 L295 E296	V168-S240 WeakPolarHBondContact O-CB 3.17Å; V168-S240 PolarHBondContact O-OG 2.96Å; S240-P242 VanDerWaalsContact C-CD 3.43Å; S240-P242 WeakPolarHBondContact O-CD 3.33Å; S240-P242 WeakPolarHBondContact OG-CD 3.16Å; S240-I279 WeakPolarHBondContact OG-CD1 3.4Å; S240-Y294 PolarHBondContact N-O 3.03Å; S240-L295 WeakPolarHBondContact O-CA 3.39Å; S240-E296 PolarHBondContact O-N 3.48Å
241	N	98.6	Very high	94.6	Very high	25 Å²	25	35.2 Å²	35.2	13%	0.134	21%	0.214	C	C	.	.			trans	-106.8	81.6	154.3	-177.5	-2.8	0	0	0	107.4	T141 I175 Y244 E296	T141-N241 HydrophobicContact CG2-CB 4.38Å; T141-N241 PolarHBondContact OG1-ND2 2.91Å; I175-N241 HydrophobicContact CD1-CB 4.18Å; N241-Y244 WeakPolarHBondContact OD1-CE1 3.17Å; N241-E296 HydrophobicContact CB-CB 4.14Å; N241-E296 VanDerWaalsContact ND2-CD 3.31Å; N241-E296 PolarHBondContact ND2-OE1 3.2Å; N241-E296 PolarHBondContact ND2-OE2 3.21Å
242	P	97.8	Very high	95.1	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	23%	0.231	C	C	.	.			trans	-78.4	167.4	-173.4	32.8	-33.9	0	0	0	111.4	S240 Y244 V275 I276 I279	S240-P242 VanDerWaalsContact C-CD 3.43Å; S240-P242 WeakPolarHBondContact O-CD 3.33Å; S240-P242 WeakPolarHBondContact OG-CD 3.16Å; P242-Y244 WeakPolarHBondContact O-CD1 3.21Å; P242-Y244 PolarHBondContact O-N 2.86Å; P242-V275 HydrophobicContact CB-CB 4.15Å; P242-V275 HydrophobicContact CB-CG1 3.76Å; P242-I276 HydrophobicContact CB-CG1 4.31Å; P242-I276 HydrophobicContact CG-CD1 4.08Å; P242-I276 HydrophobicContact CG-CG1 3.5Å; P242-I276 VanDerWaalsContact CG-CG1 3.5Å; P242-I279 HydrophobicContact CB-CD1 4.03Å; P242-I279 HydrophobicContact CG-CD1 4.41Å
243	P	97.4	Very high	95.4	Very high	17 Å²	17	39.2 Å²	39.2	11%	0.11	24%	0.24	C	C	.	.			trans	-58.8	111.8	164.8	-13.5	26.8	0	0	0	108.9	A264 G268 V275	P243-A264 VanDerWaalsContact CG-O 3.24Å; P243-A264 WeakPolarHBondContact CG-O 3.48Å; P243-G268 WeakPolarHBondContact O-CA 3.47Å; P243-V275 HydrophobicContact CG-CG2 3.98Å
244	Y	97.2	Very high	96	Very high	34 Å²	34	39.5 Å²	39.5	13%	0.133	23%	0.231	C	C	.	.			trans	-125.8	-0.8	-172.9	64.8	-117.7	0	0	0	113.5	N241 P242 L266 G272 E296 D298 H301	N241-Y244 WeakPolarHBondContact OD1-CE1 3.17Å; P242-Y244 WeakPolarHBondContact O-CD1 3.21Å; P242-Y244 PolarHBondContact O-N 2.86Å; Y244-L266 PolarHBondContact N-O 2.97Å; Y244-G272 WeakPolarHBondContact CA-O 3.35Å; Y244-E296 HydrophobicContact CE1-CG 4.07Å; Y244-E296 PolarHBondContact OH-OE1 3.34Å; Y244-D298 HydrophobicContact CD2-CB 4.07Å; Y244-H301 PolarHBondContact O-CE1 3.06Å
245	L	97.6	Very high	96.4	Very high	32 Å²	32	37.9 Å²	37.9	17%	0.168	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-71.9	140.4	178.8	-61.1	-174.4	0	0	0	110.4	M250 L253 L266 G268	L245-M250 HydrophobicContact CB-SD 3.93Å; L245-M250 HydrophobicContact CD1-SD 3.9Å; L245-L253 HydrophobicContact CD1-CD1 4.31Å; L245-L253 HydrophobicContact CD1-CD2 3.82Å; L245-L266 VanDerWaalsContact CB-O 3.27Å; L245-L266 WeakPolarHBondContact CB-O 3.31Å; L245-L266 HydrophobicContact CD1-CB 4.15Å; L245-L266 PolarHBondContact N-O 3.13Å; L245-G268 WeakPolarHBondContact O-CA 3.49Å; L245-G268 PolarHBondContact O-N 3.02Å
246	F	98	Very high	96.4	Very high	19 Å²	19	38.2 Å²	38.2	8%	0.083	22%	0.22	C	C	.	.			trans	-67.1	136.8	170.7	-69.1	-119.7	0	0	0	108.3	E248 D249 G269 E270 D271 D298 R300 H301	F246-E248 HydrophobicContact CB-CG 3.94Å; F246-E248 PolarHBondContact O-N 2.81Å; F246-D249 PolarHBondContact O-N 2.65Å; F246-G269 WeakPolarHBondContact CA-O 3.4Å; F246-E270 WeakPolarHBondContact CD1-O 3.48Å; F246-D271 HydrophobicContact CE1-CB 4.24Å; F246-D271 WeakPolarHBondContact CZ-O 3.16Å; F246-D298 HydrophobicContact CE2-CB 4.15Å; F246-R300 HydrophobicContact CE2-CB 4.14Å; F246-R300 VanDerWaalsContact CE2-NE 3.28Å; F246-R300 HydrophobicContact CZ-CB 3.86Å; F246-H301 AromaticContact CD2-NE2 3.9Å; F246-H301 AromaticContact CE2-CD2 3.54Å; F246-H301 AromaticContact CE2-NE2 3.12Å; F246-H301 WeakPolarHBondContact CE2-NE2 3.5Å; F246-H301 AromaticContact CZ-CD2 3.76Å; F246-H301 AromaticContact CZ-NE2 3.67Å
247	S	97	Very high	96.5	Very high	45 Å²	45	38.2 Å²	38.2	32%	0.315	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-28.3	-178.1	-61.3	0	0	0	0	113	M250 D267 G269	S247-M250 WeakPolarHBondContact O-CB 3.43Å; S247-D267 PolarHBondContact OG-OD1 3.31Å; S247-G269 PolarHBondContact N-O 3.06Å; S247-G269 VanDerWaalsContact OG-CA 3.27Å; S247-G269 WeakPolarHBondContact OG-CA 3.31Å; S247-G269 PolarHBondContact OG-O 3.17Å
248	E	96.1	Very high	96.4	Very high	136 Å²	136	41.2 Å²	41.2	64%	0.636	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-34.6	174.6	60.8	174.9	-174.2	0	0	113.5	F246 M250 R300	F246-E248 HydrophobicContact CB-CG 3.94Å; F246-E248 PolarHBondContact O-N 2.81Å; E248-M250 VanDerWaalsContact C-N 3.29Å; E248-M250 PolarHBondContact O-N 3.09Å; E248-R300 IonicContact OE1-NH1 3.88Å
249	D	96.5	Very high	96.3	Very high	47 Å²	47	49 Å²	49	25%	0.251	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-77	-20.1	-177.4	-68.2	-37.8	0	0	0	112.1	F246 A251 T252 R300	F246-D249 PolarHBondContact O-N 2.65Å; D249-A251 PolarHBondContact O-N 3.34Å; D249-A251 VanDerWaalsContact O-N 3.09Å; D249-T252 PolarHBondContact O-N 2.82Å; D249-T252 PolarHBondContact O-OG1 2.72Å; D249-R300 IonicContact OD2-CZ 3.16Å; D249-R300 VanDerWaalsContact OD2-CZ 3.31Å; D249-R300 IonicContact OD2-NH1 3.76Å; D249-R300 PolarHBondContact OD2-NH1 2.95Å; D249-R300 IonicContact OD2-NH2 3.21Å; D249-R300 PolarHBondContact OD2-NH2 2.72Å
250	M	95.9	Very high	96.1	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.059	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-55.8	-30.2	179.8	-65.3	-61.7	-65.3	0	0	113	L245 S247 E248 T252 L253 R263 L266 D267	L245-M250 HydrophobicContact CB-SD 3.93Å; L245-M250 HydrophobicContact CD1-SD 3.9Å; S247-M250 WeakPolarHBondContact O-CB 3.43Å; E248-M250 VanDerWaalsContact C-N 3.29Å; E248-M250 PolarHBondContact O-N 3.09Å; M250-T252 PolarHBondContact O-N 3.25Å; M250-L253 HydrophobicContact CE-CD1 3.65Å; M250-L253 HydrophobicContact SD-CD1 3.81Å; M250-R263 HydrophobicContact CE-CG 3.66Å; M250-L266 HydrophobicContact CE-CB 3.88Å; M250-L266 HydrophobicContact CE-CD1 4.36Å; M250-L266 HydrophobicContact SD-CB 4.12Å; M250-D267 HydrophobicContact CE-CB 4.03Å; M250-D267 HydrophobicContact CG-CB 4.28Å; M250-D267 HydrophobicContact SD-CB 4.04Å
251	A	93.2	Very high	96	Very high	96 Å²	96	51.3 Å²	51.3	79%	0.793	28%	0.278	S	S	*	.	G	3₁₀ helix	trans	-71.7	-16.7	178.8	0	0	0	0	0	113.5	D249	D249-A251 PolarHBondContact O-N 3.34Å; D249-A251 VanDerWaalsContact O-N 3.09Å
252	T	94.5	Very high	95.7	Very high	111 Å²	111	52.3 Å²	52.3	68%	0.681	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-100.3	-2.5	-176.7	69.9	0	0	0	0	113.6	D249 M250	D249-T252 PolarHBondContact O-N 2.82Å; D249-T252 PolarHBondContact O-OG1 2.72Å; M250-T252 PolarHBondContact O-N 3.25Å
253	L	94.9	Very high	95.6	Very high	38 Å²	38	58.8 Å²	58.8	20%	0.199	31%	0.307	C	S	.	.			trans	-58.9	143.3	-179.6	-71.1	177.7	0	0	0	111.9	L245 M250 I257 L266	L245-L253 HydrophobicContact CD1-CD1 4.31Å; L245-L253 HydrophobicContact CD1-CD2 3.82Å; M250-L253 HydrophobicContact CE-CD1 3.65Å; M250-L253 HydrophobicContact SD-CD1 3.81Å; L253-I257 HydrophobicContact CD1-CG2 4.15Å; L253-I257 HydrophobicContact CD2-CD1 4.5Å; L253-I257 HydrophobicContact CD2-CG2 4.3Å; L253-L266 HydrophobicContact CD1-CD1 4Å
254	E	94.3	Very high	95.4	Very high	97 Å²	97	59 Å²	59	45%	0.453	31%	0.311	S	S	.	.			trans	-59.1	149.2	174.8	-63.4	-171.4	151.8	0	0	110.8	E256 I257 S258	E254-E256 PolarHBondContact O-N 3.15Å; E254-I257 PolarHBondContact O-N 3.03Å; E254-S258 PolarHBondContact O-N 3.41Å; E254-S258 PolarHBondContact O-OG 3.27Å
255	P	95	Very high	95.2	Very high	45 Å²	45	59 Å²	59	29%	0.292	32%	0.317	S	S	.	.	H	α-helix	trans	-54.2	-34	176.5	-27.9	36.2	0	0	0	113.5	R111 I257 S258 R259	R111-P255 HydrophobicContact CB-CB 3.97Å; R111-P255 HydrophobicContact CG-CB 3.86Å; P255-I257 VanDerWaalsContact C-N 3.32Å; P255-I257 PolarHBondContact O-N 2.85Å; P255-S258 WeakPolarHBondContact CA-OG 3.25Å; P255-R259 WeakPolarHBondContact O-CB 3.38Å; P255-R259 WeakPolarHBondContact O-CD 3.41Å; P255-R259 WeakPolarHBondContact O-CG 3.4Å; P255-R259 PolarHBondContact O-N 3.48Å
256	E	95.3	Very high	95.2	Very high	9 Å²	9	58 Å²	58	4%	0.042	31%	0.312	C	S	.	.	H	α-helix	trans	-58.4	-42.4	176.8	-74	69	-169.2	0	0	112	R108 R111 P113 E254	R108-E256 IonicContact CZ-OE1 2.78Å; R108-E256 IonicContact NH1-OE1 3.24Å; R108-E256 PolarHBondContact NH1-OE1 2.84Å; R108-E256 IonicContact NH2-OE1 3.44Å; R108-E256 PolarHBondContact NH2-OE1 2.96Å; R111-E256 HydrophobicContact CB-CG 4.42Å; R111-E256 WeakPolarHBondContact CD-OE1 3.41Å; R111-E256 IonicContact CZ-OE1 2.72Å; R111-E256 IonicContact NH1-OE1 3.38Å; R111-E256 PolarHBondContact NH1-OE1 2.87Å; R111-E256 IonicContact NH1-OE2 2.86Å; R111-E256 VanDerWaalsContact O-CA 3.32Å; R111-E256 WeakPolarHBondContact O-CA 2.98Å; R111-E256 WeakPolarHBondContact O-CG 3.3Å; P113-E256 HydrophobicContact CG-CB 4.4Å; P113-E256 WeakPolarHBondContact CG-O 3.25Å; E254-E256 PolarHBondContact O-N 3.15Å
257	I	95.1	Very high	95.2	Very high	35 Å²	35	59 Å²	59	18%	0.179	32%	0.318	C	S	.	.	H	α-helix	trans	-82.6	-56.4	-178.9	-59.2	172.6	0	0	0	109.4	L253 E254 P255 R259 F260 E261 L266	L253-I257 HydrophobicContact CD1-CG2 4.15Å; L253-I257 HydrophobicContact CD2-CD1 4.5Å; L253-I257 HydrophobicContact CD2-CG2 4.3Å; E254-I257 PolarHBondContact O-N 3.03Å; P255-I257 VanDerWaalsContact C-N 3.32Å; P255-I257 PolarHBondContact O-N 2.85Å; I257-R259 PolarHBondContact O-N 3.2Å; I257-R259 VanDerWaalsContact O-N 3.09Å; I257-F260 PolarHBondContact O-N 3.06Å; I257-E261 PolarHBondContact O-N 2.88Å; I257-L266 HydrophobicContact CG2-CD1 3.48Å; I257-L266 VanDerWaalsContact CG2-CD1 3.48Å; I257-L266 HydrophobicContact CG2-CD2 4.42Å
258	S	94.6	Very high	95.2	Very high	67 Å²	67	56.8 Å²	56.8	47%	0.469	30%	0.303	S	S	.	.	H	α-helix	trans	-62.2	-22.6	-172	56.2	0	0	0	0	114.9	E254 P255	E254-S258 PolarHBondContact O-N 3.41Å; E254-S258 PolarHBondContact O-OG 3.27Å; P255-S258 WeakPolarHBondContact CA-OG 3.25Å
259	R	94.9	Very high	95.2	Very high	162 Å²	162	50.7 Å²	50.7	61%	0.611	28%	0.277	S	S	*	.	H	α-helix	trans	-99.1	-24.1	-178.9	-62	175.1	179.4	-171.8	0.1	114.3	P255 I257	P255-R259 WeakPolarHBondContact O-CB 3.38Å; P255-R259 WeakPolarHBondContact O-CD 3.41Å; P255-R259 WeakPolarHBondContact O-CG 3.4Å; P255-R259 PolarHBondContact O-N 3.48Å; I257-R259 PolarHBondContact O-N 3.2Å; I257-R259 VanDerWaalsContact O-N 3.09Å
260	F	96.1	Very high	95.3	Very high	37 Å²	37	56.9 Å²	56.9	16%	0.162	30%	0.304	C	S	.	.	H	α-helix	trans	-123.7	-18.7	-166.4	-64.8	-82.2	0	0	0	114.4	R111 M112 P113 F116 P133 I257	R111-F260 HydrophobicContact CB-CE2 4.24Å; R111-F260 WeakPolarHBondContact O-CD2 3.18Å; R111-F260 WeakPolarHBondContact O-CE2 3.2Å; M112-F260 VanDerWaalsContact CA-CE2 3.48Å; M112-F260 HydrophobicContact CB-CD1 4.33Å; M112-F260 HydrophobicContact CB-CE1 3.87Å; M112-F260 HydrophobicContact CB-CE2 4.22Å; M112-F260 HydrophobicContact CB-CZ 3.81Å; M112-F260 HydrophobicContact CE-CD1 4.12Å; M112-F260 HydrophobicContact CE-CE1 3.61Å; M112-F260 HydrophobicContact CE-CZ 4.49Å; M112-F260 HydrophobicContact CG-CD1 4.09Å; M112-F260 HydrophobicContact CG-CE1 4Å; M112-F260 HydrophobicContact CG-CZ 4.43Å; P113-F260 HydrophobicContact CG-CB 4.16Å; F116-F260 HydrophobicContact CD2-CB 4.02Å; F116-F260 HydrophobicContact CE2-CB 3.85Å; F116-F260 WeakPolarHBondContact CE2-O 3.26Å; P133-F260 WeakPolarHBondContact CA-O 3.41Å; I257-F260 PolarHBondContact O-N 3.06Å
261	E	95.3	Very high	95.4	Very high	13 Å²	13	58.3 Å²	58.3	6%	0.061	31%	0.312	C	S	.	.	S	Bend	trans	-99.6	149.3	174.1	-63.7	-173.6	-131.6	0	0	110.6	F116 F135 I136 R138 I257 R263 L266	F116-E261 HydrophobicContact CE2-CG 4.2Å; F116-E261 HydrophobicContact CZ-CG 4.21Å; F135-E261 VanDerWaalsContact CD2-OE2 3.23Å; F135-E261 WeakPolarHBondContact CD2-OE2 3.16Å; I136-E261 PolarHBondContact N-OE2 2.7Å; R138-E261 IonicContact CZ-OE1 3.09Å; R138-E261 IonicContact CZ-OE2 3.82Å; R138-E261 IonicContact NH1-OE1 3.35Å; R138-E261 PolarHBondContact NH1-OE1 2.54Å; R138-E261 IonicContact NH2-OE1 2.76Å; R138-E261 PolarHBondContact NH2-OE1 3.32Å; R138-E261 IonicContact NH2-OE2 3.36Å; R138-E261 PolarHBondContact NH2-OE2 2.71Å; I257-E261 PolarHBondContact O-N 2.88Å; E261-R263 PolarHBondContact O-N 3.08Å; E261-R263 VanDerWaalsContact O-N 3.17Å; E261-L266 HydrophobicContact CB-CD1 4.43Å
262	D	93.6	Very high	95.6	Very high	45 Å²	45	53.7 Å²	53.7	24%	0.241	27%	0.274	C	S	.	.			trans	-61.4	118.4	178	-174.7	-5.6	0	0	0	109.6	P133 A264 A265	P133-D262 HydrophobicContact CB-CB 4.09Å; P133-D262 HydrophobicContact CG-CB 4.46Å; P133-D262 WeakPolarHBondContact O-CB 3.08Å; P133-D262 PolarHBondContact O-N 3.27Å; D262-A264 PolarHBondContact O-N 3.24Å; D262-A264 VanDerWaalsContact O-N 3.11Å; D262-A264 WeakPolarHBondContact OD1-CB 3.09Å; D262-A264 PolarHBondContact OD1-N 2.79Å; D262-A265 HydrophobicContact CB-CB 4.16Å; D262-A265 WeakPolarHBondContact O-CB 3.43Å; D262-A265 PolarHBondContact O-N 2.99Å
263	R	94.3	Very high	95.7	Very high	137 Å²	137	48.5 Å²	48.5	52%	0.517	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-52.1	-37	175.9	-174	-173.2	167.5	83.3	7.7	111.3	M250 E261 A265 L266 D267	M250-R263 HydrophobicContact CE-CG 3.66Å; E261-R263 PolarHBondContact O-N 3.08Å; E261-R263 VanDerWaalsContact O-N 3.17Å; R263-A265 VanDerWaalsContact C-N 3.28Å; R263-A265 PolarHBondContact O-N 2.81Å; R263-L266 WeakPolarHBondContact O-CB 3.31Å; R263-L266 PolarHBondContact O-N 3.03Å; R263-L266 VanDerWaalsContact O-N 3.09Å; R263-D267 IonicContact CZ-OD2 2.68Å; R263-D267 IonicContact NE-OD2 2.84Å; R263-D267 IonicContact NH2-OD2 3.28Å; R263-D267 PolarHBondContact NH2-OD2 3.31Å; R263-D267 PolarHBondContact O-N 3.03Å
264	A	93.8	Very high	95.9	Very high	22 Å²	22	50.7 Å²	50.7	18%	0.182	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-78.6	-11.7	-176.2	0	0	0	0	0	114.3	P243 D262 L266	P243-A264 VanDerWaalsContact CG-O 3.24Å; P243-A264 WeakPolarHBondContact CG-O 3.48Å; D262-A264 PolarHBondContact O-N 3.24Å; D262-A264 VanDerWaalsContact O-N 3.11Å; D262-A264 WeakPolarHBondContact OD1-CB 3.09Å; D262-A264 PolarHBondContact OD1-N 2.79Å; A264-L266 VanDerWaalsContact C-N 3.25Å
265	A	94.1	Very high	96.1	Very high	33 Å²	33	47 Å²	47	27%	0.273	24%	0.238	S	C	.	.	G	3₁₀ helix	trans	-80.7	-8	166.6	0	0	0	0	0	112.3	F135 D262 R263	F135-A265 HydrophobicContact CB-CB 4.13Å; D262-A265 HydrophobicContact CB-CB 4.16Å; D262-A265 WeakPolarHBondContact O-CB 3.43Å; D262-A265 PolarHBondContact O-N 2.99Å; R263-A265 VanDerWaalsContact C-N 3.28Å; R263-A265 PolarHBondContact O-N 2.81Å
266	L	96.5	Very high	96.2	Very high	12 Å²	12	44.9 Å²	44.9	6%	0.063	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.3	-48.4	-173.8	-59.4	173.7	0	0	0	112.7	F135 Y244 L245 M250 L253 I257 E261 R263 A264 G268	F135-L266 HydrophobicContact CD2-CD2 3.76Å; F135-L266 HydrophobicContact CE2-CD2 3.63Å; Y244-L266 PolarHBondContact N-O 2.97Å; L245-L266 VanDerWaalsContact CB-O 3.27Å; L245-L266 WeakPolarHBondContact CB-O 3.31Å; L245-L266 HydrophobicContact CD1-CB 4.15Å; L245-L266 PolarHBondContact N-O 3.13Å; M250-L266 HydrophobicContact CE-CB 3.88Å; M250-L266 HydrophobicContact CE-CD1 4.36Å; M250-L266 HydrophobicContact SD-CB 4.12Å; L253-L266 HydrophobicContact CD1-CD1 4Å; I257-L266 HydrophobicContact CG2-CD1 3.48Å; I257-L266 VanDerWaalsContact CG2-CD1 3.48Å; I257-L266 HydrophobicContact CG2-CD2 4.42Å; E261-L266 HydrophobicContact CB-CD1 4.43Å; R263-L266 WeakPolarHBondContact O-CB 3.31Å; R263-L266 PolarHBondContact O-N 3.03Å; R263-L266 VanDerWaalsContact O-N 3.09Å; A264-L266 VanDerWaalsContact C-N 3.25Å; L266-G268 PolarHBondContact O-N 3.48Å
267	D	97.5	Very high	96.4	Very high	39 Å²	39	47.5 Å²	47.5	21%	0.209	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-76.1	107.6	-172	-165.4	-10.7	0	0	0	111.7	S247 M250 R263 G269	S247-D267 PolarHBondContact OG-OD1 3.31Å; M250-D267 HydrophobicContact CE-CB 4.03Å; M250-D267 HydrophobicContact CG-CB 4.28Å; M250-D267 HydrophobicContact SD-CB 4.04Å; R263-D267 IonicContact CZ-OD2 2.68Å; R263-D267 IonicContact NE-OD2 2.84Å; R263-D267 IonicContact NH2-OD2 3.28Å; R263-D267 PolarHBondContact NH2-OD2 3.31Å; R263-D267 PolarHBondContact O-N 3.03Å; D267-G269 PolarHBondContact OD1-N 2.99Å; D267-G269 VanDerWaalsContact OD1-N 3.11Å
268	G	97.2	Very high	96.5	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.235	C	C	.	.			trans	-89.7	3.5	177.5	0	0	0	0	0	114.2	P243 L245 L266 G272 L273 N274	P243-G268 WeakPolarHBondContact O-CA 3.47Å; L245-G268 WeakPolarHBondContact O-CA 3.49Å; L245-G268 PolarHBondContact O-N 3.02Å; L266-G268 PolarHBondContact O-N 3.48Å; G268-G272 CarbonylContact O-C 3.56Å; G268-G272 VanDerWaalsContact O-C 3.24Å; G268-G272 WeakPolarHBondContact O-CA 3.41Å; G268-L273 PolarHBondContact O-N 3.16Å; G268-N274 VanDerWaalsContact O-CB 3.23Å; G268-N274 WeakPolarHBondContact O-CB 3.24Å; G268-N274 VanDerWaalsContact O-CG 3.29Å; G268-N274 PolarHBondContact O-N 3.03Å
269	G	97.6	Very high	96.7	Very high	8 Å²	8	44.8 Å²	44.8	8%	0.082	21%	0.213	C	C	.	.			trans	95.8	-169.6	-177.1	0	0	0	0	0	113.9	F246 S247 D267 D271 G272	F246-G269 WeakPolarHBondContact CA-O 3.4Å; S247-G269 PolarHBondContact N-O 3.06Å; S247-G269 VanDerWaalsContact OG-CA 3.27Å; S247-G269 WeakPolarHBondContact OG-CA 3.31Å; S247-G269 PolarHBondContact OG-O 3.17Å; D267-G269 PolarHBondContact OD1-N 2.99Å; D267-G269 VanDerWaalsContact OD1-N 3.11Å; G269-D271 PolarHBondContact O-N 3.46Å; G269-G272 PolarHBondContact O-N 3.42Å; G269-G272 VanDerWaalsContact O-N 3.12Å
270	E	97.4	Very high	96.8	Very high	176 Å²	176	37.1 Å²	37.1	82%	0.822	18%	0.184	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-41.8	-173.2	-175.6	175.7	-174.8	0	0	112.7	F246	F246-E270 WeakPolarHBondContact CD1-O 3.48Å
271	D	97.3	Very high	96.9	Very high	42 Å²	42	38.6 Å²	38.6	23%	0.225	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.6	12.5	178.4	64.8	2	0	0	0	114.1	F246 G269 L273 R277 H301	F246-D271 HydrophobicContact CE1-CB 4.24Å; F246-D271 WeakPolarHBondContact CZ-O 3.16Å; G269-D271 PolarHBondContact O-N 3.46Å; D271-L273 WeakPolarHBondContact O-CG 3.37Å; D271-L273 PolarHBondContact O-N 2.98Å; D271-L273 WeakPolarHBondContact OD1-CB 3.45Å; D271-L273 PolarHBondContact OD1-N 3.09Å; D271-R277 IonicContact OD1-CZ 3.81Å; D271-R277 IonicContact OD1-NH1 3.98Å; D271-R277 PolarHBondContact OD1-NH1 2.94Å; D271-R277 IonicContact OD1-NH2 3.69Å; D271-R277 IonicContact OD2-CZ 3.01Å; D271-R277 IonicContact OD2-NH1 3.48Å; D271-R277 PolarHBondContact OD2-NH1 3.5Å; D271-R277 IonicContact OD2-NH2 2.74Å; D271-R277 PolarHBondContact OD2-NH2 3Å; D271-H301 PolarHBondContact O-NE2 3.23Å; D271-H301 VanDerWaalsContact O-NE2 3.11Å
272	G	97.6	Very high	96.8	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	S	Bend	trans	72.3	5	178.7	0	0	0	0	0	115.3	Y244 G268 G269 H301	Y244-G272 WeakPolarHBondContact CA-O 3.35Å; G268-G272 CarbonylContact O-C 3.56Å; G268-G272 VanDerWaalsContact O-C 3.24Å; G268-G272 WeakPolarHBondContact O-CA 3.41Å; G269-G272 PolarHBondContact O-N 3.42Å; G269-G272 VanDerWaalsContact O-N 3.12Å; G272-H301 PolarHBondContact O-CE1 3.47Å
273	L	98.4	Very high	97	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.01	18%	0.183	C	C	.	.			trans	-105.6	3	-170.6	-60.2	-175.9	0	0	0	115.3	G268 D271 V275 I276 R277 H301 L304 I305	G268-L273 PolarHBondContact O-N 3.16Å; D271-L273 WeakPolarHBondContact O-CG 3.37Å; D271-L273 PolarHBondContact O-N 2.98Å; D271-L273 WeakPolarHBondContact OD1-CB 3.45Å; D271-L273 PolarHBondContact OD1-N 3.09Å; L273-V275 PolarHBondContact O-N 3.26Å; L273-I276 HydrophobicContact CD2-CB 4.28Å; L273-I276 HydrophobicContact CD2-CD1 3.72Å; L273-I276 HydrophobicContact CD2-CG2 4.25Å; L273-I276 PolarHBondContact O-N 2.89Å; L273-R277 HydrophobicContact CB-CG 4.19Å; L273-R277 WeakPolarHBondContact O-CB 3.42Å; L273-R277 VanDerWaalsContact O-CG 3.28Å; L273-R277 WeakPolarHBondContact O-CG 3.4Å; L273-R277 PolarHBondContact O-N 2.99Å; L273-H301 HydrophobicContact CD2-CB 4.1Å; L273-L304 HydrophobicContact CD1-CB 3.72Å; L273-L304 HydrophobicContact CD1-CD1 4.33Å; L273-I305 HydrophobicContact CD2-CD1 4.23Å; L273-I305 HydrophobicContact CD2-CG1 3.86Å
274	N	97.8	Very high	97	Very high	84 Å²	84	30 Å²	30	45%	0.449	16%	0.162	S	C	.	.	H	α-helix	trans	-55.3	-51.3	-173.1	-74.9	-10.6	0	0	0	113.3	G268	G268-N274 VanDerWaalsContact O-CB 3.23Å; G268-N274 WeakPolarHBondContact O-CB 3.24Å; G268-N274 VanDerWaalsContact O-CG 3.29Å; G268-N274 PolarHBondContact O-N 3.03Å
275	V	98.1	Very high	97	Very high	18 Å²	18	33.8 Å²	33.8	11%	0.109	18%	0.179	C	C	.	.	H	α-helix	trans	-74.1	-37.9	179	178.7	0	0	0	0	110.9	V221 I222 P242 P243 L273 R277 Q278 I279	V221-V275 HydrophobicContact CG1-CG1 3.91Å; I222-V275 HydrophobicContact CD1-CG2 3.91Å; P242-V275 HydrophobicContact CB-CB 4.15Å; P242-V275 HydrophobicContact CB-CG1 3.76Å; P243-V275 HydrophobicContact CG-CG2 3.98Å; L273-V275 PolarHBondContact O-N 3.26Å; V275-R277 PolarHBondContact O-N 3.43Å; V275-Q278 PolarHBondContact O-N 3.29Å; V275-I279 HydrophobicContact CG1-CD1 3.86Å; V275-I279 HydrophobicContact CG1-CG1 4.35Å; V275-I279 WeakPolarHBondContact O-CG1 3.5Å; V275-I279 PolarHBondContact O-N 3.35Å
276	I	98.6	Very high	97	Very high	1 Å²	1	32.2 Å²	32.2	1%	0.005	17%	0.166	C	C	.	.	H	α-helix	trans	-58.4	-49.3	178.7	-71.5	166.2	0	0	0	111	P242 L273 Q278 I279 L280 L295 V297 I305	P242-I276 HydrophobicContact CB-CG1 4.31Å; P242-I276 HydrophobicContact CG-CD1 4.08Å; P242-I276 HydrophobicContact CG-CG1 3.5Å; P242-I276 VanDerWaalsContact CG-CG1 3.5Å; L273-I276 HydrophobicContact CD2-CB 4.28Å; L273-I276 HydrophobicContact CD2-CD1 3.72Å; L273-I276 HydrophobicContact CD2-CG2 4.25Å; L273-I276 PolarHBondContact O-N 2.89Å; I276-Q278 VanDerWaalsContact C-N 3.27Å; I276-Q278 PolarHBondContact O-N 3.37Å; I276-I279 WeakPolarHBondContact O-CB 3.43Å; I276-I279 PolarHBondContact O-N 3.41Å; I276-I279 VanDerWaalsContact O-N 3.16Å; I276-L280 HydrophobicContact CG2-CD1 3.84Å; I276-L280 HydrophobicContact CG2-CG 4.26Å; I276-L280 VanDerWaalsContact O-CG 3.28Å; I276-L280 WeakPolarHBondContact O-CG 3.47Å; I276-L280 PolarHBondContact O-N 2.89Å; I276-L295 HydrophobicContact CG2-CD1 3.79Å; I276-V297 HydrophobicContact CD1-CG1 4.11Å; I276-I305 HydrophobicContact CD1-CD1 4.4Å; I276-I305 HydrophobicContact CG2-CD1 3.97Å; I276-I305 HydrophobicContact CG2-CG1 4.07Å
277	R	98.3	Very high	96.9	Very high	64 Å²	64	31.8 Å²	31.8	24%	0.242	16%	0.164	C	C	.	.	H	α-helix	trans	-54.3	-46.3	177.6	-73.5	176.7	177.5	114.4	4.3	111.4	D271 L273 V275 I279 L280 T281 W308	D271-R277 IonicContact OD1-CZ 3.81Å; D271-R277 IonicContact OD1-NH1 3.98Å; D271-R277 PolarHBondContact OD1-NH1 2.94Å; D271-R277 IonicContact OD1-NH2 3.69Å; D271-R277 IonicContact OD2-CZ 3.01Å; D271-R277 IonicContact OD2-NH1 3.48Å; D271-R277 PolarHBondContact OD2-NH1 3.5Å; D271-R277 IonicContact OD2-NH2 2.74Å; D271-R277 PolarHBondContact OD2-NH2 3Å; L273-R277 HydrophobicContact CB-CG 4.19Å; L273-R277 WeakPolarHBondContact O-CB 3.42Å; L273-R277 VanDerWaalsContact O-CG 3.28Å; L273-R277 WeakPolarHBondContact O-CG 3.4Å; L273-R277 PolarHBondContact O-N 2.99Å; V275-R277 PolarHBondContact O-N 3.43Å; R277-I279 PolarHBondContact O-N 3.28Å; R277-L280 PolarHBondContact O-N 2.68Å; R277-T281 PolarHBondContact O-N 2.85Å; R277-T281 PolarHBondContact O-OG1 3.01Å; R277-W308 HydrophobicContact CB-CH2 3.92Å; R277-W308 HydrophobicContact CB-CZ2 3.67Å; R277-W308 HydrophobicContact CB-CZ3 4.5Å; R277-W308 HydrophobicContact CG-CD2 3.9Å; R277-W308 HydrophobicContact CG-CE3 4.4Å; R277-W308 HydrophobicContact CG-CG 4.4Å; R277-W308 HydrophobicContact CG-CH2 4.25Å; R277-W308 HydrophobicContact CG-CZ2 3.74Å; R277-W308 VanDerWaalsContact O-CH2 3.27Å; R277-W308 WeakPolarHBondContact O-CH2 3.32Å
278	Q	97.6	Very high	96.6	Very high	45 Å²	45	31.6 Å²	31.6	21%	0.21	17%	0.165	C	C	.	.	H	α-helix	trans	-65.2	-40.6	-179.7	-171.9	62.3	45.2	0	0	112.7	V221 I222 V275 I276 L280 T281 L282	V221-Q278 HydrophobicContact CG1-CB 4.47Å; V221-Q278 HydrophobicContact CG1-CG 4.26Å; V221-Q278 HydrophobicContact CG2-CG 4.05Å; V221-Q278 WeakPolarHBondContact O-CG 3.5Å; I222-Q278 HydrophobicContact CG1-CB 4.21Å; I222-Q278 HydrophobicContact CG1-CG 4.32Å; V275-Q278 PolarHBondContact O-N 3.29Å; I276-Q278 VanDerWaalsContact C-N 3.27Å; I276-Q278 PolarHBondContact O-N 3.37Å; Q278-L280 VanDerWaalsContact C-N 3.29Å; Q278-L280 PolarHBondContact O-N 2.96Å; Q278-T281 PolarHBondContact O-N 2.87Å; Q278-L282 WeakPolarHBondContact O-CB 3.09Å; Q278-L282 PolarHBondContact O-N 2.98Å
279	I	98.1	Very high	96.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-58.6	-45.7	173.7	-70.1	165.6	0	0	0	110.2	V168 L238 S240 P242 V275 I276 R277 L282 A283 V293 L295	V168-I279 HydrophobicContact CB-CD1 4Å; V168-I279 HydrophobicContact CB-CG1 4.11Å; V168-I279 HydrophobicContact CG1-CD1 3.98Å; V168-I279 HydrophobicContact CG1-CG1 3.92Å; V168-I279 HydrophobicContact CG2-CG1 4.2Å; L238-I279 HydrophobicContact CD1-CG2 4.16Å; L238-I279 HydrophobicContact CD2-CG2 3.37Å; L238-I279 HydrophobicContact CG-CG2 4.45Å; S240-I279 WeakPolarHBondContact OG-CD1 3.4Å; P242-I279 HydrophobicContact CB-CD1 4.03Å; P242-I279 HydrophobicContact CG-CD1 4.41Å; V275-I279 HydrophobicContact CG1-CD1 3.86Å; V275-I279 HydrophobicContact CG1-CG1 4.35Å; V275-I279 WeakPolarHBondContact O-CG1 3.5Å; V275-I279 PolarHBondContact O-N 3.35Å; I276-I279 WeakPolarHBondContact O-CB 3.43Å; I276-I279 PolarHBondContact O-N 3.41Å; I276-I279 VanDerWaalsContact O-N 3.16Å; R277-I279 PolarHBondContact O-N 3.28Å; I279-L282 PolarHBondContact O-N 2.96Å; I279-A283 WeakPolarHBondContact O-CB 3.27Å; I279-A283 PolarHBondContact O-N 2.83Å; I279-V293 HydrophobicContact CG2-CG1 4.39Å; I279-L295 HydrophobicContact CD1-CD2 4.36Å; I279-L295 HydrophobicContact CG2-CD2 4.13Å
280	L	98.2	Very high	96	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-69.7	-35.7	-178.1	-64.4	179.4	0	0	0	112.7	I276 R277 Q278 L282 A283 P284 V293 L295 I305 W308 L316 L334	I276-L280 HydrophobicContact CG2-CD1 3.84Å; I276-L280 HydrophobicContact CG2-CG 4.26Å; I276-L280 VanDerWaalsContact O-CG 3.28Å; I276-L280 WeakPolarHBondContact O-CG 3.47Å; I276-L280 PolarHBondContact O-N 2.89Å; R277-L280 PolarHBondContact O-N 2.68Å; Q278-L280 VanDerWaalsContact C-N 3.29Å; Q278-L280 PolarHBondContact O-N 2.96Å; L280-L282 VanDerWaalsContact C-N 3.35Å; L280-A283 PolarHBondContact O-N 2.84Å; L280-P284 VanDerWaalsContact O-CD 3.32Å; L280-P284 WeakPolarHBondContact O-CD 3.29Å; L280-V293 HydrophobicContact CD2-CG1 4.21Å; L280-L295 HydrophobicContact CD2-CD1 3.96Å; L280-L295 HydrophobicContact CG-CD1 4.36Å; L280-I305 HydrophobicContact CD1-CG2 3.83Å; L280-W308 HydrophobicContact CB-CE3 4.44Å; L280-W308 HydrophobicContact CB-CH2 4.34Å; L280-W308 HydrophobicContact CB-CZ3 3.6Å; L280-W308 HydrophobicContact CD1-CE3 4.09Å; L280-W308 HydrophobicContact CD1-CZ3 4.07Å; L280-W308 HydrophobicContact CG-CZ3 4.48Å; L280-L316 HydrophobicContact CB-CD2 4.28Å; L280-L316 HydrophobicContact CD2-CD2 3.83Å; L280-L334 HydrophobicContact CD1-CD2 4.49Å; L280-L334 HydrophobicContact CD2-CD1 3.81Å; L280-L334 HydrophobicContact CD2-CD2 3.86Å; L280-L334 HydrophobicContact CD2-CG 4.39Å
281	T	96.9	Very high	95.8	Very high	69 Å²	69	33.6 Å²	33.6	42%	0.423	17%	0.169	S	C	.	.	H	α-helix	trans	-63.6	-40.4	171.4	-62	0	0	0	0	111.7	R277 Q278 P284 W308	R277-T281 PolarHBondContact O-N 2.85Å; R277-T281 PolarHBondContact O-OG1 3.01Å; Q278-T281 PolarHBondContact O-N 2.87Å; T281-P284 WeakPolarHBondContact O-CD 3.36Å; T281-W308 WeakPolarHBondContact OG1-CH2 3.44Å
282	L	95	Very high	95.8	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.026	17%	0.166	C	C	.	.	H	α-helix	trans	-73.5	-30.2	-179.9	177.1	65.5	0	0	0	112.8	V221 M228 P229 Q278 I279 L280 D285 V286	V221-L282 HydrophobicContact CG2-CD2 4.11Å; M228-L282 HydrophobicContact CB-CD1 3.75Å; M228-L282 HydrophobicContact CB-CD2 4.13Å; M228-L282 HydrophobicContact CG-CD2 4.4Å; M228-L282 HydrophobicContact SD-CD2 3.48Å; M228-L282 WeakPolarHBondContact SD-CD2 3.43Å; P229-L282 HydrophobicContact CG-CD1 4.37Å; Q278-L282 WeakPolarHBondContact O-CB 3.09Å; Q278-L282 PolarHBondContact O-N 2.98Å; I279-L282 PolarHBondContact O-N 2.96Å; L280-L282 VanDerWaalsContact C-N 3.35Å; L282-D285 PolarHBondContact O-N 3.04Å; L282-V286 HydrophobicContact CD1-CG1 3.76Å; L282-V286 HydrophobicContact CD2-CG1 4.49Å; L282-V286 HydrophobicContact CG-CG1 3.96Å; L282-V286 HydrophobicContact CG-CG2 4.32Å; L282-V286 PolarHBondContact O-N 2.88Å
283	A	96.3	Very high	95.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-53.7	-45.1	-169	0	0	0	0	0	114.2	L238 I279 L280 D285 V286 L287 V293 L316	L238-A283 HydrophobicContact CD1-CB 4.36Å; I279-A283 WeakPolarHBondContact O-CB 3.27Å; I279-A283 PolarHBondContact O-N 2.83Å; L280-A283 PolarHBondContact O-N 2.84Å; A283-D285 VanDerWaalsContact C-N 3.28Å; A283-D285 PolarHBondContact O-N 2.69Å; A283-V286 PolarHBondContact O-N 2.98Å; A283-L287 HydrophobicContact CB-CD1 3.92Å; A283-L287 WeakPolarHBondContact O-CB 3.45Å; A283-L287 WeakPolarHBondContact O-CG 3.42Å; A283-L287 PolarHBondContact O-N 3.04Å; A283-V293 HydrophobicContact CB-CG2 3.61Å; A283-L316 HydrophobicContact CB-CD1 4.3Å; A283-L316 HydrophobicContact CB-CD2 4.08Å
284	P	94.6	Very high	95.9	Very high	9 Å²	9	33.7 Å²	33.7	6%	0.058	17%	0.166	C	C	.	.	H	α-helix	trans	-56.7	-38	176	-26.5	35.3	0	0	0	114	L280 T281 V286 V313 E315 L316 K336	L280-P284 VanDerWaalsContact O-CD 3.32Å; L280-P284 WeakPolarHBondContact O-CD 3.29Å; T281-P284 WeakPolarHBondContact O-CD 3.36Å; P284-V286 PolarHBondContact O-N 2.83Å; P284-V313 HydrophobicContact CG-CG1 3.41Å; P284-V313 VanDerWaalsContact CG-CG1 3.41Å; P284-E315 HydrophobicContact CB-CB 4.01Å; P284-E315 HydrophobicContact CG-CB 4.25Å; P284-L316 HydrophobicContact CG-CB 4.37Å; P284-K336 VanDerWaalsContact O-CE 3.32Å; P284-K336 WeakPolarHBondContact O-CE 3.47Å; P284-K336 PolarHBondContact O-NZ 2.9Å
285	D	93.3	Very high	95.9	Very high	101 Å²	101	29.7 Å²	29.7	54%	0.54	15%	0.145	S	C	.	.	H	α-helix	trans	-74.2	-29.2	-174.4	-65.2	-33.5	0	0	0	112.8	P229 L282 A283	P229-D285 HydrophobicContact CB-CB 4.16Å; P229-D285 HydrophobicContact CG-CB 3.86Å; L282-D285 PolarHBondContact O-N 3.04Å; A283-D285 VanDerWaalsContact C-N 3.28Å; A283-D285 PolarHBondContact O-N 2.69Å
286	V	94.3	Very high	95.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-101.5	-27.7	-174.8	-58.7	0	0	0	0	113.2	L166 F232 S234 I235 L238 L282 A283 P284	L166-V286 HydrophobicContact CD2-CG2 4.18Å; F232-V286 HydrophobicContact CB-CB 4.3Å; F232-V286 HydrophobicContact CB-CG1 4.16Å; S234-V286 PolarHBondContact N-O 3.38Å; I235-V286 WeakPolarHBondContact CB-O 3.48Å; I235-V286 HydrophobicContact CG1-CB 4.34Å; I235-V286 WeakPolarHBondContact CG1-O 3.31Å; I235-V286 PolarHBondContact N-O 3.09Å; L238-V286 HydrophobicContact CD1-CG2 4.08Å; L282-V286 HydrophobicContact CD1-CG1 3.76Å; L282-V286 HydrophobicContact CD2-CG1 4.49Å; L282-V286 HydrophobicContact CG-CG1 3.96Å; L282-V286 HydrophobicContact CG-CG2 4.32Å; L282-V286 PolarHBondContact O-N 2.88Å; A283-V286 PolarHBondContact O-N 2.98Å; P284-V286 PolarHBondContact O-N 2.83Å
287	L	94.4	Very high	95.9	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	141.9	-176.5	-72.1	173.8	0	0	0	112.4	I235 L238 A283 V293 L316 K336	I235-L287 HydrophobicContact CB-CD2 4.28Å; I235-L287 HydrophobicContact CG2-CD2 4.08Å; I235-L287 CarbonylContact O-C 3.56Å; I235-L287 WeakPolarHBondContact O-CA 3.35Å; I235-L287 VanDerWaalsContact O-CD2 3.3Å; I235-L287 WeakPolarHBondContact O-CD2 3.21Å; L238-L287 HydrophobicContact CB-CD2 3.99Å; A283-L287 HydrophobicContact CB-CD1 3.92Å; A283-L287 WeakPolarHBondContact O-CB 3.45Å; A283-L287 WeakPolarHBondContact O-CG 3.42Å; A283-L287 PolarHBondContact O-N 3.04Å; L287-V293 HydrophobicContact CD1-CG2 3.73Å; L287-L316 HydrophobicContact CD1-CD1 4.37Å; L287-K336 HydrophobicContact CB-CB 4.17Å; L287-K336 HydrophobicContact CB-CD 3.84Å; L287-K336 HydrophobicContact CD1-CB 4.13Å; L287-K336 WeakPolarHBondContact O-CD 3.38Å; L287-K336 PolarHBondContact O-NZ 3.36Å
288	S	92.3	Very high	95.9	Very high	34 Å²	34	26.6 Å²	26.6	24%	0.238	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	162.3	163	63.6	0	0	0	0	110.8	I235 R290 G291	I235-S288 PolarHBondContact O-N 3.16Å; I235-S288 PolarHBondContact O-OG 2.76Å; S288-R290 PolarHBondContact O-N 2.97Å; S288-G291 WeakPolarHBondContact O-CA 3.23Å; S288-G291 PolarHBondContact O-N 2.8Å
289	N	89.9	Confident	95.9	Very high	76 Å²	76	26.9 Å²	26.9	41%	0.406	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-53	134.7	170.3	-75	-18.4	0	0	0	110.6	G291 E338 S339	N289-G291 PolarHBondContact O-N 3.09Å; N289-G291 VanDerWaalsContact O-N 3.09Å; N289-E338 HydrophobicContact CB-CG 4.41Å; N289-S339 PolarHBondContact ND2-OG 2.97Å; N289-S339 PolarHBondContact OD1-N 3.49Å; N289-S339 PolarHBondContact OD1-OG 2.84Å
290	R	91.4	Very high	95.9	Very high	147 Å²	147	31.6 Å²	31.6	56%	0.555	16%	0.156	S	C	*	.	E	Extended strand (participates in β ladder)	trans	60.7	7.2	-173.1	-53.5	-175.1	179.3	-117.9	-8	115.5	S288 Q335 K336 E338	S288-R290 PolarHBondContact O-N 2.97Å; R290-Q335 PolarHBondContact O-NE2 2.78Å; R290-K336 VanDerWaalsContact CA-O 3.29Å; R290-K336 WeakPolarHBondContact CA-O 3.47Å; R290-K336 PolarHBondContact N-O 3.24Å; R290-E338 HydrophobicContact CG-CG 3.83Å; R290-E338 IonicContact CZ-OE1 3.58Å; R290-E338 VanDerWaalsContact CZ-OE1 3.28Å; R290-E338 IonicContact CZ-OE2 2.68Å; R290-E338 IonicContact NE-OE1 2.83Å; R290-E338 PolarHBondContact NE-OE1 3.47Å; R290-E338 IonicContact NE-OE2 3.76Å; R290-E338 IonicContact NH2-OE1 3.76Å; R290-E338 PolarHBondContact NH2-OE1 3.31Å; R290-E338 IonicContact NH2-OE2 3.43Å; R290-E338 PolarHBondContact NH2-OE2 2.94Å
291	G	93.9	Very high	95.9	Very high	3 Å²	3	31.6 Å²	31.6	3%	0.031	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.3	151.8	172.2	0	0	0	0	0	110.9	S236 S288 N289 Q335 K336	S236-G291 VanDerWaalsContact O-CA 3.25Å; S236-G291 WeakPolarHBondContact O-CA 3.3Å; S288-G291 WeakPolarHBondContact O-CA 3.23Å; S288-G291 PolarHBondContact O-N 2.8Å; N289-G291 PolarHBondContact O-N 3.09Å; N289-G291 VanDerWaalsContact O-N 3.09Å; G291-Q335 WeakPolarHBondContact O-CA 3.41Å; G291-K336 PolarHBondContact O-N 3.48Å
292	R	96.5	Very high	96	Very high	42 Å²	42	29.1 Å²	29.1	16%	0.158	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	149.3	-171.6	-73.2	-176.6	176.9	179.5	1.4	112.9	D151 S236 V237 L238 Y294 L334 Q335	D151-R292 IonicContact OD1-NH1 3.29Å; D151-R292 IonicContact OD2-CZ 2.8Å; D151-R292 IonicContact OD2-NH1 2.73Å; D151-R292 PolarHBondContact OD2-NH1 3.08Å; S236-R292 PolarHBondContact O-N 2.9Å; S236-R292 VanDerWaalsContact O-N 3.15Å; V237-R292 WeakPolarHBondContact CA-O 3.11Å; L238-R292 PolarHBondContact N-O 2.95Å; R292-Y294 HydrophobicContact CB-CD2 4.3Å; R292-Y294 HydrophobicContact CB-CE2 3.48Å; R292-Y294 VanDerWaalsContact CB-CE2 3.48Å; R292-Y294 WeakPolarHBondContact CD-OH 3.27Å; R292-L334 CarbonylContact C-O 3.52Å; R292-L334 VanDerWaalsContact CA-O 3.25Å; R292-L334 WeakPolarHBondContact CA-O 3.4Å; R292-L334 WeakPolarHBondContact CB-O 3.49Å; R292-Q335 HydrophobicContact CG-CB 4.07Å; R292-Q335 HydrophobicContact CG-CG 4.13Å
293	V	98.6	Very high	96.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	133.6	169.5	-174.9	0	0	0	0	109	L238 I279 L280 A283 L287 L295 L316 I333 L334	L238-V293 HydrophobicContact CB-CG2 4.31Å; L238-V293 HydrophobicContact CD2-CG1 4Å; L238-V293 CarbonylContact O-C 3.44Å; L238-V293 VanDerWaalsContact O-CA 3.26Å; L238-V293 WeakPolarHBondContact O-CA 3.41Å; I279-V293 HydrophobicContact CG2-CG1 4.39Å; L280-V293 HydrophobicContact CD2-CG1 4.21Å; A283-V293 HydrophobicContact CB-CG2 3.61Å; L287-V293 HydrophobicContact CD1-CG2 3.73Å; V293-L295 HydrophobicContact CG1-CD1 4.38Å; V293-L295 HydrophobicContact CG1-CD2 3.92Å; V293-L295 HydrophobicContact CG1-CG 3.86Å; V293-L316 HydrophobicContact CG2-CD1 4.27Å; V293-I333 WeakPolarHBondContact O-CA 3.26Å; V293-L334 HydrophobicContact CB-CB 4.2Å; V293-L334 HydrophobicContact CB-CD1 4.33Å; V293-L334 HydrophobicContact CG1-CD1 4.47Å; V293-L334 PolarHBondContact N-O 2.93Å; V293-L334 PolarHBondContact O-N 3.35Å
294	Y	98.8	Very high	96.3	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.016	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.7	172.3	-56.7	-102.4	0	0	0	109.5	V148 D151 V237 L238 V239 S240 R292 I333	V148-Y294 HydrophobicContact CG2-CD1 4.02Å; V148-Y294 HydrophobicContact CG2-CD2 3.71Å; V148-Y294 HydrophobicContact CG2-CE1 4.47Å; V148-Y294 HydrophobicContact CG2-CE2 4.18Å; V148-Y294 HydrophobicContact CG2-CG 3.63Å; D151-Y294 WeakPolarHBondContact CB-OH 3.46Å; D151-Y294 VanDerWaalsContact CG-OH 3.24Å; D151-Y294 WeakPolarHBondContact OD2-CE1 3.39Å; D151-Y294 PolarHBondContact OD2-OH 3.14Å; V237-Y294 HydrophobicContact CB-CE2 4.5Å; V237-Y294 HydrophobicContact CG1-CD2 3.6Å; V237-Y294 HydrophobicContact CG1-CE2 3.67Å; V237-Y294 HydrophobicContact CG2-CE2 4.07Å; L238-Y294 PolarHBondContact O-N 2.9Å; V239-Y294 WeakPolarHBondContact CA-O 3.26Å; S240-Y294 PolarHBondContact N-O 3.03Å; R292-Y294 HydrophobicContact CB-CD2 4.3Å; R292-Y294 HydrophobicContact CB-CE2 3.48Å; R292-Y294 VanDerWaalsContact CB-CE2 3.48Å; R292-Y294 WeakPolarHBondContact CD-OH 3.27Å; Y294-I333 HydrophobicContact CD1-CD1 4.21Å; Y294-I333 HydrophobicContact CD1-CG1 3.91Å; Y294-I333 HydrophobicContact CD1-CG2 4.28Å; Y294-I333 HydrophobicContact CE1-CD1 4.09Å; Y294-I333 HydrophobicContact CE1-CG1 4.16Å; Y294-I333 HydrophobicContact CE1-CG2 3.99Å
295	L	98.9	Very high	96.4	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	129.9	-178.9	-59.4	175.6	0	0	0	110.5	S240 I276 I279 L280 V293 V297 F331 C332 L334	S240-L295 WeakPolarHBondContact O-CA 3.39Å; I276-L295 HydrophobicContact CG2-CD1 3.79Å; I279-L295 HydrophobicContact CD1-CD2 4.36Å; I279-L295 HydrophobicContact CG2-CD2 4.13Å; L280-L295 HydrophobicContact CD2-CD1 3.96Å; L280-L295 HydrophobicContact CG-CD1 4.36Å; V293-L295 HydrophobicContact CG1-CD1 4.38Å; V293-L295 HydrophobicContact CG1-CD2 3.92Å; V293-L295 HydrophobicContact CG1-CG 3.86Å; L295-V297 HydrophobicContact CB-CG1 3.82Å; L295-F331 CarbonylContact O-C 3.59Å; L295-F331 WeakPolarHBondContact O-CA 3.46Å; L295-C332 PolarHBondContact N-O 2.86Å; L295-C332 PolarHBondContact O-N 3.31Å; L295-L334 HydrophobicContact CD1-CD1 4.37Å
296	E	98.8	Very high	96.7	Very high	1 Å²	1	33.9 Å²	33.9	1%	0.005	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	134.4	157	-168.3	174.2	138	0	0	109.4	T141 L144 S240 N241 Y244 R330 F331	T141-E296 WeakPolarHBondContact CA-OE2 3.28Å; T141-E296 VanDerWaalsContact CB-OE2 3.31Å; T141-E296 WeakPolarHBondContact CB-OE2 3.42Å; T141-E296 PolarHBondContact N-OE2 2.96Å; T141-E296 PolarHBondContact OG1-OE2 2.52Å; L144-E296 HydrophobicContact CD2-CB 4.16Å; S240-E296 PolarHBondContact O-N 3.48Å; N241-E296 HydrophobicContact CB-CB 4.14Å; N241-E296 VanDerWaalsContact ND2-CD 3.31Å; N241-E296 PolarHBondContact ND2-OE1 3.2Å; N241-E296 PolarHBondContact ND2-OE2 3.21Å; Y244-E296 HydrophobicContact CE1-CG 4.07Å; Y244-E296 PolarHBondContact OH-OE1 3.34Å; E296-R330 CarbonylContact C-O 3.48Å; E296-R330 WeakPolarHBondContact CA-O 3.23Å; E296-R330 HydrophobicContact CG-CG 4.17Å; E296-F331 HydrophobicContact CB-CD1 4.41Å; E296-F331 HydrophobicContact CB-CE1 4.49Å; E296-F331 HydrophobicContact CG-CD1 4.45Å; E296-F331 HydrophobicContact CG-CE1 4.18Å
297	V	98.6	Very high	96.9	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.204	C	C	.	.			trans	-143.1	164.2	-171.6	-59.1	0	0	0	0	113	I276 L295 H301 I305 R330 C332	I276-V297 HydrophobicContact CD1-CG1 4.11Å; L295-V297 HydrophobicContact CB-CG1 3.82Å; V297-H301 HydrophobicContact CB-CB 3.9Å; V297-H301 HydrophobicContact CG1-CB 4.48Å; V297-H301 HydrophobicContact CG2-CB 4.21Å; V297-I305 HydrophobicContact CB-CD1 4.47Å; V297-I305 HydrophobicContact CG1-CD1 3.67Å; V297-R330 WeakPolarHBondContact CG2-O 3.33Å; V297-R330 PolarHBondContact N-O 2.83Å; V297-R330 WeakPolarHBondContact O-CD 3.3Å; V297-R330 PolarHBondContact O-NH1 3.11Å; V297-C332 HydrophobicContact CG1-CB 4.48Å
298	D	98.1	Very high	97.1	Very high	18 Å²	18	43.8 Å²	43.8	10%	0.096	21%	0.211	C	C	.	.			trans	-69.5	146.5	165.6	-174.8	-80.8	0	0	0	111.1	Y244 F246 R300 H301	Y244-D298 HydrophobicContact CD2-CB 4.07Å; F246-D298 HydrophobicContact CE2-CB 4.15Å; D298-R300 PolarHBondContact O-N 3.29Å; D298-R300 VanDerWaalsContact OD1-CB 3.31Å; D298-R300 WeakPolarHBondContact OD1-CB 3.27Å; D298-R300 WeakPolarHBondContact OD1-CG 3.43Å; D298-R300 IonicContact OD1-CZ 3.68Å; D298-R300 PolarHBondContact OD1-N 2.84Å; D298-R300 IonicContact OD1-NE 3.79Å; D298-R300 PolarHBondContact OD1-NE 3.28Å; D298-R300 IonicContact OD1-NH2 3.46Å; D298-R300 PolarHBondContact OD1-NH2 2.66Å; D298-R300 IonicContact OD2-CZ 2.9Å; D298-R300 IonicContact OD2-NE 2.61Å; D298-R300 IonicContact OD2-NH2 3.51Å; D298-R300 PolarHBondContact OD2-NH2 3.15Å; D298-H301 PolarHBondContact N-ND1 3.38Å; D298-H301 WeakPolarHBondContact O-CB 3.19Å; D298-H301 PolarHBondContact O-N 2.89Å
299	P	97.8	Very high	97.3	Very high	50 Å²	50	42.2 Å²	42.2	33%	0.325	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-20.2	178	-28.8	36.9	0	0	0	116.1	P302 K328 P329	P299-P302 WeakPolarHBondContact O-CD 3.38Å; P299-K328 HydrophobicContact CG-CB 4.32Å; P299-K328 HydrophobicContact CG-CD 4.5Å; P299-P329 WeakPolarHBondContact CA-O 3.44Å
300	R	97.9	Very high	97.7	Very high	100 Å²	100	44.8 Å²	44.8	38%	0.377	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-20.7	176	-67.4	167.7	-73.9	-172.5	-7.1	113.4	F246 E248 D249 D298	F246-R300 HydrophobicContact CE2-CB 4.14Å; F246-R300 VanDerWaalsContact CE2-NE 3.28Å; F246-R300 HydrophobicContact CZ-CB 3.86Å; E248-R300 IonicContact OE1-NH1 3.88Å; D249-R300 IonicContact OD2-CZ 3.16Å; D249-R300 VanDerWaalsContact OD2-CZ 3.31Å; D249-R300 IonicContact OD2-NH1 3.76Å; D249-R300 PolarHBondContact OD2-NH1 2.95Å; D249-R300 IonicContact OD2-NH2 3.21Å; D249-R300 PolarHBondContact OD2-NH2 2.72Å; D298-R300 PolarHBondContact O-N 3.29Å; D298-R300 VanDerWaalsContact OD1-CB 3.31Å; D298-R300 WeakPolarHBondContact OD1-CB 3.27Å; D298-R300 WeakPolarHBondContact OD1-CG 3.43Å; D298-R300 IonicContact OD1-CZ 3.68Å; D298-R300 PolarHBondContact OD1-N 2.84Å; D298-R300 IonicContact OD1-NE 3.79Å; D298-R300 PolarHBondContact OD1-NE 3.28Å; D298-R300 IonicContact OD1-NH2 3.46Å; D298-R300 PolarHBondContact OD1-NH2 2.66Å; D298-R300 IonicContact OD2-CZ 2.9Å; D298-R300 IonicContact OD2-NE 2.61Å; D298-R300 IonicContact OD2-NH2 3.51Å; D298-R300 PolarHBondContact OD2-NH2 3.15Å
301	H	98.6	Very high	98	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-72.1	-34.2	-171.2	-67.1	179.9	0	0	0	116.9	Y244 F246 D271 G272 L273 V297 D298 A303 L304 I305	Y244-H301 PolarHBondContact O-CE1 3.06Å; F246-H301 AromaticContact CD2-NE2 3.9Å; F246-H301 AromaticContact CE2-CD2 3.54Å; F246-H301 AromaticContact CE2-NE2 3.12Å; F246-H301 WeakPolarHBondContact CE2-NE2 3.5Å; F246-H301 AromaticContact CZ-CD2 3.76Å; F246-H301 AromaticContact CZ-NE2 3.67Å; D271-H301 PolarHBondContact O-NE2 3.23Å; D271-H301 VanDerWaalsContact O-NE2 3.11Å; G272-H301 PolarHBondContact O-CE1 3.47Å; L273-H301 HydrophobicContact CD2-CB 4.1Å; V297-H301 HydrophobicContact CB-CB 3.9Å; V297-H301 HydrophobicContact CG1-CB 4.48Å; V297-H301 HydrophobicContact CG2-CB 4.21Å; D298-H301 PolarHBondContact N-ND1 3.38Å; D298-H301 WeakPolarHBondContact O-CB 3.19Å; D298-H301 PolarHBondContact O-N 2.89Å; H301-A303 VanDerWaalsContact C-N 3.34Å; H301-A303 PolarHBondContact O-N 3.09Å; H301-A303 VanDerWaalsContact O-N 3.15Å; H301-L304 WeakPolarHBondContact O-CA 3.32Å; H301-L304 WeakPolarHBondContact O-CB 3.28Å; H301-L304 PolarHBondContact O-N 3.17Å; H301-I305 HydrophobicContact CB-CD1 3.8Å; H301-I305 HydrophobicContact CB-CG1 4.23Å; H301-I305 PolarHBondContact O-N 3.21Å
302	P	98.6	Very high	98.1	Very high	17 Å²	17	47.9 Å²	47.9	11%	0.11	24%	0.236	C	C	.	.	H	α-helix	trans	-52.4	-46	-168.4	-32.4	36.5	0	0	0	115	P299 H306 T321 P329	P299-P302 WeakPolarHBondContact O-CD 3.38Å; P302-H306 VanDerWaalsContact O-CB 3.31Å; P302-H306 WeakPolarHBondContact O-CB 3.46Å; P302-H306 PolarHBondContact O-N 3.29Å; P302-T321 HydrophobicContact CB-CG2 3.94Å; P302-T321 HydrophobicContact CG-CG2 3.65Å; P302-P329 HydrophobicContact CG-CB 3.95Å
303	A	98	Very high	98.1	Very high	74 Å²	74	46.5 Å²	46.5	61%	0.612	23%	0.232	S	C	*	.	H	α-helix	trans	-69.3	-33.2	178.4	0	0	0	0	0	112.9	H301 R307	H301-A303 VanDerWaalsContact C-N 3.34Å; H301-A303 PolarHBondContact O-N 3.09Å; H301-A303 VanDerWaalsContact O-N 3.15Å; A303-R307 PolarHBondContact O-N 3.19Å
304	L	98.3	Very high	97.9	Very high	69 Å²	69	55.6 Å²	55.6	36%	0.361	28%	0.275	S	S	.	.	H	α-helix	trans	-70.9	-44.8	177.7	-59	177.2	0	0	0	111	L273 H301 W308	L273-L304 HydrophobicContact CD1-CB 3.72Å; L273-L304 HydrophobicContact CD1-CD1 4.33Å; H301-L304 WeakPolarHBondContact O-CA 3.32Å; H301-L304 WeakPolarHBondContact O-CB 3.28Å; H301-L304 PolarHBondContact O-N 3.17Å; L304-W308 VanDerWaalsContact O-CB 3.22Å; L304-W308 WeakPolarHBondContact O-CB 3.33Å; L304-W308 PolarHBondContact O-N 3.41Å
305	I	98.6	Very high	97.7	Very high	2 Å²	2	60 Å²	60	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-47	176.3	-69.1	172.6	0	0	0	110.2	L273 I276 L280 V297 H301 R307 W308 V309 F318 C332 L334	L273-I305 HydrophobicContact CD2-CD1 4.23Å; L273-I305 HydrophobicContact CD2-CG1 3.86Å; I276-I305 HydrophobicContact CD1-CD1 4.4Å; I276-I305 HydrophobicContact CG2-CD1 3.97Å; I276-I305 HydrophobicContact CG2-CG1 4.07Å; L280-I305 HydrophobicContact CD1-CG2 3.83Å; V297-I305 HydrophobicContact CB-CD1 4.47Å; V297-I305 HydrophobicContact CG1-CD1 3.67Å; H301-I305 HydrophobicContact CB-CD1 3.8Å; H301-I305 HydrophobicContact CB-CG1 4.23Å; H301-I305 PolarHBondContact O-N 3.21Å; I305-R307 PolarHBondContact O-N 3.24Å; I305-W308 PolarHBondContact O-N 3.08Å; I305-V309 WeakPolarHBondContact O-CG1 3.12Å; I305-V309 PolarHBondContact O-N 2.88Å; I305-F318 HydrophobicContact CB-CE2 4.32Å; I305-F318 HydrophobicContact CG2-CD2 4.01Å; I305-F318 HydrophobicContact CG2-CE2 3.81Å; I305-C332 HydrophobicContact CD1-CB 4.41Å; I305-L334 HydrophobicContact CG2-CD2 4.49Å
306	H	98.5	Very high	97.6	Very high	71 Å²	71	60.3 Å²	60.3	33%	0.329	30%	0.297	S	S	.	.	H	α-helix	trans	-58.3	-50.9	-179.9	-174.3	-166.9	0	0	0	111.7	P302 W308 V309 E310 F318	P302-H306 VanDerWaalsContact O-CB 3.31Å; P302-H306 WeakPolarHBondContact O-CB 3.46Å; P302-H306 PolarHBondContact O-N 3.29Å; H306-W308 PolarHBondContact O-N 2.92Å; H306-V309 VanDerWaalsContact O-CG1 3.3Å; H306-V309 WeakPolarHBondContact O-CG1 3.44Å; H306-V309 PolarHBondContact O-N 3.15Å; H306-E310 IonicContact CD2-OE1 2.71Å; H306-E310 IonicContact CE1-OE1 3.84Å; H306-E310 IonicContact NE2-OE1 3.88Å; H306-E310 PolarHBondContact NE2-OE1 2.95Å; H306-E310 VanDerWaalsContact NE2-OE1 3.16Å; H306-E310 WeakPolarHBondContact O-CG 3.44Å; H306-E310 PolarHBondContact O-N 3.38Å; H306-F318 HydrophobicContact CB-CD1 4.23Å; H306-F318 HydrophobicContact CB-CD2 4Å; H306-F318 HydrophobicContact CB-CE1 4.43Å; H306-F318 HydrophobicContact CB-CE2 4.21Å; H306-F318 HydrophobicContact CB-CG 4Å; H306-F318 HydrophobicContact CB-CZ 4.42Å; H306-F318 WeakPolarHBondContact CD2-CB 3.44Å; H306-F318 AromaticContact CD2-CG 3.72Å; H306-F318 AromaticContact CG-CD1 3.98Å; H306-F318 AromaticContact CG-CG 3.92Å
307	R	98.2	Very high	97.6	Very high	167 Å²	167	67.9 Å²	67.9	63%	0.63	33%	0.326	S	S	*	.	H	α-helix	trans	-61.6	-46.5	177.2	-178	-179.1	-62.9	164.2	1.4	111.7	A303 I305 V309 E310 D311	A303-R307 PolarHBondContact O-N 3.19Å; I305-R307 PolarHBondContact O-N 3.24Å; R307-V309 VanDerWaalsContact C-N 3.34Å; R307-V309 PolarHBondContact O-N 2.87Å; R307-E310 PolarHBondContact O-N 2.86Å; R307-D311 WeakPolarHBondContact CG-OD2 3.4Å; R307-D311 WeakPolarHBondContact O-CB 3.31Å; R307-D311 VanDerWaalsContact O-CG 3.31Å; R307-D311 PolarHBondContact O-N 3.43Å
308	W	98.4	Very high	97.5	Very high	44 Å²	44	69.1 Å²	69.1	17%	0.167	33%	0.331	C	S	.	.	H	α-helix	trans	-63.6	-40.6	-176.1	-175.7	88.6	0	0	0	111.8	R277 L280 T281 L304 I305 H306 D311 N312 V313	R277-W308 HydrophobicContact CB-CH2 3.92Å; R277-W308 HydrophobicContact CB-CZ2 3.67Å; R277-W308 HydrophobicContact CB-CZ3 4.5Å; R277-W308 HydrophobicContact CG-CD2 3.9Å; R277-W308 HydrophobicContact CG-CE3 4.4Å; R277-W308 HydrophobicContact CG-CG 4.4Å; R277-W308 HydrophobicContact CG-CH2 4.25Å; R277-W308 HydrophobicContact CG-CZ2 3.74Å; R277-W308 VanDerWaalsContact O-CH2 3.27Å; R277-W308 WeakPolarHBondContact O-CH2 3.32Å; L280-W308 HydrophobicContact CB-CE3 4.44Å; L280-W308 HydrophobicContact CB-CH2 4.34Å; L280-W308 HydrophobicContact CB-CZ3 3.6Å; L280-W308 HydrophobicContact CD1-CE3 4.09Å; L280-W308 HydrophobicContact CD1-CZ3 4.07Å; L280-W308 HydrophobicContact CG-CZ3 4.48Å; T281-W308 WeakPolarHBondContact OG1-CH2 3.44Å; L304-W308 VanDerWaalsContact O-CB 3.22Å; L304-W308 WeakPolarHBondContact O-CB 3.33Å; L304-W308 PolarHBondContact O-N 3.41Å; I305-W308 PolarHBondContact O-N 3.08Å; H306-W308 PolarHBondContact O-N 2.92Å; W308-D311 PolarHBondContact O-N 3.44Å; W308-N312 HydrophobicContact CD2-CB 4.33Å; W308-N312 HydrophobicContact CH2-CB 4.27Å; W308-N312 HydrophobicContact CZ2-CB 4.02Å; W308-N312 VanDerWaalsContact O-CB 3.3Å; W308-N312 WeakPolarHBondContact O-CB 3.37Å; W308-N312 PolarHBondContact O-N 2.76Å; W308-N312 PolarHBondContact O-ND2 2.91Å; W308-V313 HydrophobicContact CH2-CG2 4Å; W308-V313 HydrophobicContact CZ3-CG2 3.7Å
309	V	98.1	Very high	97.5	Very high	1 Å²	1	71 Å²	71	1%	0.006	34%	0.343	C	S	.	.	H	α-helix	trans	-67.9	-42.3	178.8	74.7	0	0	0	0	111.6	I305 H306 R307 D311 N312 V313 L316 F318 L334	I305-V309 WeakPolarHBondContact O-CG1 3.12Å; I305-V309 PolarHBondContact O-N 2.88Å; H306-V309 VanDerWaalsContact O-CG1 3.3Å; H306-V309 WeakPolarHBondContact O-CG1 3.44Å; H306-V309 PolarHBondContact O-N 3.15Å; R307-V309 VanDerWaalsContact C-N 3.34Å; R307-V309 PolarHBondContact O-N 2.87Å; V309-D311 PolarHBondContact O-N 2.86Å; V309-N312 PolarHBondContact O-N 3.38Å; V309-V313 HydrophobicContact CG2-CB 3.87Å; V309-V313 HydrophobicContact CG2-CG2 4.24Å; V309-V313 PolarHBondContact O-N 2.68Å; V309-L316 HydrophobicContact CG2-CB 3.97Å; V309-L316 HydrophobicContact CG2-CD2 3.89Å; V309-L316 HydrophobicContact CG2-CG 4.13Å; V309-L316 WeakPolarHBondContact CG2-O 3.43Å; V309-F318 HydrophobicContact CG1-CB 4.03Å; V309-L334 HydrophobicContact CB-CD2 4.08Å; V309-L334 HydrophobicContact CG1-CD2 3.91Å; V309-L334 HydrophobicContact CG2-CD2 3.81Å
310	E	96.6	Very high	97.5	Very high	130 Å²	130	71.4 Å²	71.4	61%	0.607	34%	0.341	S	S	*	.	H	α-helix	trans	-58.5	-38.1	175.6	-73	-178.5	145.1	0	0	112.1	H306 R307	H306-E310 IonicContact CD2-OE1 2.71Å; H306-E310 IonicContact CE1-OE1 3.84Å; H306-E310 IonicContact NE2-OE1 3.88Å; H306-E310 PolarHBondContact NE2-OE1 2.95Å; H306-E310 VanDerWaalsContact NE2-OE1 3.16Å; H306-E310 WeakPolarHBondContact O-CG 3.44Å; H306-E310 PolarHBondContact O-N 3.38Å; R307-E310 PolarHBondContact O-N 2.86Å
311	D	97.5	Very high	97.6	Very high	119 Å²	119	69 Å²	69	64%	0.636	34%	0.338	S	S	*	.	H	α-helix	trans	-82.2	-21.6	-177.2	-70.5	-23.2	0	0	0	113.8	R307 W308 V309	R307-D311 WeakPolarHBondContact CG-OD2 3.4Å; R307-D311 WeakPolarHBondContact O-CB 3.31Å; R307-D311 VanDerWaalsContact O-CG 3.31Å; R307-D311 PolarHBondContact O-N 3.43Å; W308-D311 PolarHBondContact O-N 3.44Å; V309-D311 PolarHBondContact O-N 2.86Å
312	N	97.7	Very high	97.5	Very high	96 Å²	96	74.2 Å²	74.2	51%	0.513	36%	0.357	S	S	.	.	H	α-helix	trans	-128.1	-15.6	-165.7	-63.1	-93.8	0	0	0	115.4	W308 V309	W308-N312 HydrophobicContact CD2-CB 4.33Å; W308-N312 HydrophobicContact CH2-CB 4.27Å; W308-N312 HydrophobicContact CZ2-CB 4.02Å; W308-N312 VanDerWaalsContact O-CB 3.3Å; W308-N312 WeakPolarHBondContact O-CB 3.37Å; W308-N312 PolarHBondContact O-N 2.76Å; W308-N312 PolarHBondContact O-ND2 2.91Å; V309-N312 PolarHBondContact O-N 3.38Å
313	V	96.5	Very high	97.5	Very high	13 Å²	13	79.4 Å²	79.4	8%	0.079	38%	0.38	C	S	.	.			trans	-137.9	89.9	-172.9	-167.1	0	0	0	0	110.7	P284 W308 V309 E315 L316	P284-V313 HydrophobicContact CG-CG1 3.41Å; P284-V313 VanDerWaalsContact CG-CG1 3.41Å; W308-V313 HydrophobicContact CH2-CG2 4Å; W308-V313 HydrophobicContact CZ3-CG2 3.7Å; V309-V313 HydrophobicContact CG2-CB 3.87Å; V309-V313 HydrophobicContact CG2-CG2 4.24Å; V309-V313 PolarHBondContact O-N 2.68Å; V313-E315 VanDerWaalsContact C-N 3.33Å; V313-E315 PolarHBondContact O-N 2.86Å; V313-L316 HydrophobicContact CB-CB 4.18Å; V313-L316 HydrophobicContact CG1-CB 3.54Å; V313-L316 HydrophobicContact CG1-CD2 4.41Å; V313-L316 PolarHBondContact O-N 2.83Å
314	E	93.4	Very high	97.4	Very high	192 Å²	192	76.3 Å²	76.3	90%	0.897	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-38.3	-174.1	-64.6	-175.8	175.8	0	0	113.8	L316	E314-L316 VanDerWaalsContact C-N 3.28Å; E314-L316 PolarHBondContact O-N 3.02Å
315	E	95.3	Very high	97.2	Very high	96 Å²	96	77.9 Å²	77.9	45%	0.449	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84	1.7	-174.6	-67.1	-179.6	-122.1	0	0	113.9	P284 V313 K336 E337	P284-E315 HydrophobicContact CB-CB 4.01Å; P284-E315 HydrophobicContact CG-CB 4.25Å; V313-E315 VanDerWaalsContact C-N 3.33Å; V313-E315 PolarHBondContact O-N 2.86Å; E315-K336 CarbonylContact O-C 3.53Å; E315-K336 WeakPolarHBondContact O-CA 3.31Å; E315-E337 PolarHBondContact O-N 3.42Å
316	L	97	Very high	97	Very high	7 Å²	7	81.6 Å²	81.6	4%	0.037	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	119.2	-174.4	-163.9	71.8	0	0	0	111.4	L280 A283 P284 L287 V293 V309 V313 E314 L334 K336	L280-L316 HydrophobicContact CB-CD2 4.28Å; L280-L316 HydrophobicContact CD2-CD2 3.83Å; A283-L316 HydrophobicContact CB-CD1 4.3Å; A283-L316 HydrophobicContact CB-CD2 4.08Å; P284-L316 HydrophobicContact CG-CB 4.37Å; L287-L316 HydrophobicContact CD1-CD1 4.37Å; V293-L316 HydrophobicContact CG2-CD1 4.27Å; V309-L316 HydrophobicContact CG2-CB 3.97Å; V309-L316 HydrophobicContact CG2-CD2 3.89Å; V309-L316 HydrophobicContact CG2-CG 4.13Å; V309-L316 WeakPolarHBondContact CG2-O 3.43Å; V313-L316 HydrophobicContact CB-CB 4.18Å; V313-L316 HydrophobicContact CG1-CB 3.54Å; V313-L316 HydrophobicContact CG1-CD2 4.41Å; V313-L316 PolarHBondContact O-N 2.83Å; E314-L316 VanDerWaalsContact C-N 3.28Å; E314-L316 PolarHBondContact O-N 3.02Å; L316-L334 HydrophobicContact CD1-CB 4.28Å; L316-L334 HydrophobicContact CD2-CB 4.25Å; L316-L334 HydrophobicContact CD2-CD2 3.91Å; L316-L334 HydrophobicContact CG-CB 4.08Å; L316-L334 HydrophobicContact CG-CD2 4.2Å; L316-K336 HydrophobicContact CD1-CB 4.4Å
317	R	97.3	Very high	96.9	Very high	160 Å²	160	80 Å²	80	60%	0.604	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	132.5	-179.3	-180	177	170.3	-174	-0.3	111.7	V319 L334 Q335 E337	R317-V319 PolarHBondContact O-N 2.87Å; R317-L334 CarbonylContact O-C 3.24Å; R317-L334 VanDerWaalsContact O-CA 3.23Å; R317-L334 WeakPolarHBondContact O-CA 3.46Å; R317-L334 WeakPolarHBondContact O-CB 3.39Å; R317-Q335 PolarHBondContact N-O 3.18Å; R317-Q335 PolarHBondContact O-N 3.38Å; R317-E337 HydrophobicContact CB-CG 4.26Å
318	F	98.3	Very high	96.8	Very high	25 Å²	25	77.3 Å²	77.3	11%	0.11	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	122.1	166.9	-164.5	-88.6	0	0	0	110.2	I305 H306 V309 T321 C332 L334	I305-F318 HydrophobicContact CB-CE2 4.32Å; I305-F318 HydrophobicContact CG2-CD2 4.01Å; I305-F318 HydrophobicContact CG2-CE2 3.81Å; H306-F318 HydrophobicContact CB-CD1 4.23Å; H306-F318 HydrophobicContact CB-CD2 4Å; H306-F318 HydrophobicContact CB-CE1 4.43Å; H306-F318 HydrophobicContact CB-CE2 4.21Å; H306-F318 HydrophobicContact CB-CG 4Å; H306-F318 HydrophobicContact CB-CZ 4.42Å; H306-F318 WeakPolarHBondContact CD2-CB 3.44Å; H306-F318 AromaticContact CD2-CG 3.72Å; H306-F318 AromaticContact CG-CD1 3.98Å; H306-F318 AromaticContact CG-CG 3.92Å; V309-F318 HydrophobicContact CG1-CB 4.03Å; F318-T321 WeakPolarHBondContact CZ-OG1 3.46Å; F318-C332 HydrophobicContact CE2-CB 3.97Å; F318-C332 HydrophobicContact CZ-CB 4.28Å; F318-L334 HydrophobicContact CD2-CD2 4.06Å; F318-L334 HydrophobicContact CD2-CG 4.05Å
319	V	97.5	Very high	96.8	Very high	57 Å²	57	77.3 Å²	77.3	35%	0.345	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-58.2	-175.8	-179.7	0	0	0	0	110.3	R317 I333 Q335	R317-V319 PolarHBondContact O-N 2.87Å; V319-I333 HydrophobicContact CB-CB 4.49Å; V319-I333 HydrophobicContact CB-CG2 4.33Å; V319-I333 WeakPolarHBondContact CB-O 3.43Å; V319-I333 PolarHBondContact N-O 3.11Å; V319-Q335 HydrophobicContact CG2-CB 3.59Å
320	E	98	Very high	96.8	Very high	60 Å²	60	78.3 Å²	78.3	28%	0.28	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.1	170	-176.5	63.4	176.8	152.7	0	0	113.2	R322 I333	E320-R322 IonicContact OE1-CZ 3.37Å; E320-R322 IonicContact OE1-NE 3.8Å; E320-R322 PolarHBondContact OE1-NE 3Å; E320-R322 VanDerWaalsContact OE1-NE 3.09Å; E320-R322 IonicContact OE1-NH2 3.7Å; E320-R322 PolarHBondContact OE1-NH2 3.34Å; E320-R322 IonicContact OE2-CZ 3.31Å; E320-R322 IonicContact OE2-NE 2.82Å; E320-R322 PolarHBondContact OE2-NE 3.17Å; E320-R322 IonicContact OE2-NH2 3.02Å; E320-R322 PolarHBondContact OE2-NH2 3.41Å; E320-I333 HydrophobicContact CG-CB 4.19Å; E320-I333 HydrophobicContact CG-CD1 3.92Å; E320-I333 HydrophobicContact CG-CG1 4.36Å; E320-I333 PolarHBondContact N-O 3.3Å; E320-I333 PolarHBondContact O-N 2.61Å
321	T	98.6	Very high	96.9	Very high	50 Å²	50	72.2 Å²	72.2	31%	0.307	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	128.2	168.1	-52.4	0	0	0	0	109.8	P302 F318 P329 F331	P302-T321 HydrophobicContact CB-CG2 3.94Å; P302-T321 HydrophobicContact CG-CG2 3.65Å; F318-T321 WeakPolarHBondContact CZ-OG1 3.46Å; T321-P329 HydrophobicContact CG2-CB 3.86Å; T321-F331 CarbonylContact C-O 3.48Å; T321-F331 VanDerWaalsContact CA-O 3.3Å; T321-F331 WeakPolarHBondContact CA-O 3.46Å
322	R	98.2	Very high	96.9	Very high	109 Å²	109	66.6 Å²	66.6	41%	0.411	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	145.4	173.5	-65	-69.1	-178.7	129.9	3.2	110.9	L147 E320 R330 F331 I333	L147-R322 HydrophobicContact CD1-CB 4.25Å; L147-R322 HydrophobicContact CD1-CG 4.47Å; L147-R322 HydrophobicContact CD2-CG 4.38Å; E320-R322 IonicContact OE1-CZ 3.37Å; E320-R322 IonicContact OE1-NE 3.8Å; E320-R322 PolarHBondContact OE1-NE 3Å; E320-R322 VanDerWaalsContact OE1-NE 3.09Å; E320-R322 IonicContact OE1-NH2 3.7Å; E320-R322 PolarHBondContact OE1-NH2 3.34Å; E320-R322 IonicContact OE2-CZ 3.31Å; E320-R322 IonicContact OE2-NE 2.82Å; E320-R322 PolarHBondContact OE2-NE 3.17Å; E320-R322 IonicContact OE2-NH2 3.02Å; E320-R322 PolarHBondContact OE2-NH2 3.41Å; R322-R330 PolarHBondContact O-N 3.29Å; R322-F331 HydrophobicContact CB-CB 4.21Å; R322-F331 HydrophobicContact CB-CD2 4.09Å; R322-F331 PolarHBondContact N-O 3.38Å; R322-F331 PolarHBondContact O-N 3.06Å; R322-I333 HydrophobicContact CG-CD1 3.96Å
323	Q	98	Very high	97	Very high	125 Å²	125	62.1 Å²	62.1	58%	0.584	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	149.9	175.1	-63.9	176.7	-5.4	0	0	110.5	K328	Q323-K328 CarbonylContact C-O 3.27Å; Q323-K328 WeakPolarHBondContact CA-O 3.5Å; Q323-K328 WeakPolarHBondContact CB-O 3.5Å
324	D	96.1	Very high	97.1	Very high	9 Å²	9	61.5 Å²	61.5	5%	0.048	31%	0.31	C	S	.	.			trans	-73.5	174.6	167.1	61.2	28.5	0	0	0	111.9	E140 E143 S326 G327 K328 R330 F331	E140-D324 HydrophobicContact CG-CB 4.39Å; E143-D324 WeakPolarHBondContact OE2-CA 3.39Å; D324-S326 PolarHBondContact O-N 3.32Å; D324-S326 VanDerWaalsContact OD1-C 3.3Å; D324-S326 VanDerWaalsContact OD1-CA 3.26Å; D324-S326 WeakPolarHBondContact OD1-CA 3.3Å; D324-S326 VanDerWaalsContact OD1-CB 3.26Å; D324-S326 WeakPolarHBondContact OD1-CB 3.22Å; D324-S326 PolarHBondContact OD1-N 2.9Å; D324-G327 PolarHBondContact O-N 3.28Å; D324-G327 PolarHBondContact OD1-N 3.12Å; D324-G327 VanDerWaalsContact OD1-N 3.08Å; D324-K328 PolarHBondContact N-O 2.91Å; D324-K328 PolarHBondContact OD1-N 3.26Å; D324-R330 HydrophobicContact CB-CB 3.83Å; D324-R330 HydrophobicContact CB-CG 4.09Å; D324-R330 IonicContact OD2-NE 2.8Å; D324-R330 PolarHBondContact OD2-NE 2.79Å; D324-R330 IonicContact OD2-NH2 3.05Å; D324-F331 HydrophobicContact CB-CE2 4.32Å
325	V	93.5	Very high	97.2	Very high	103 Å²	103	54.7 Å²	54.7	62%	0.624	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.7	175.9	-67.1	0	0	0	0	114.2	E143 G327	E143-V325 WeakPolarHBondContact OE1-CG2 3.46Å; E143-V325 PolarHBondContact OE1-N 3.17Å; E143-V325 WeakPolarHBondContact OE2-CG1 3.38Å; E143-V325 PolarHBondContact OE2-N 3.07Å; E143-V325 VanDerWaalsContact OE2-N 3.08Å; V325-G327 VanDerWaalsContact C-N 3.33Å
326	S	94.6	Very high	97.3	Very high	79 Å²	79	51.3 Å²	51.3	55%	0.552	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	1.3	175.9	-59	0	0	0	0	112.9	D324 K328	D324-S326 PolarHBondContact O-N 3.32Å; D324-S326 VanDerWaalsContact OD1-C 3.3Å; D324-S326 VanDerWaalsContact OD1-CA 3.26Å; D324-S326 WeakPolarHBondContact OD1-CA 3.3Å; D324-S326 VanDerWaalsContact OD1-CB 3.26Å; D324-S326 WeakPolarHBondContact OD1-CB 3.22Å; D324-S326 PolarHBondContact OD1-N 2.9Å; S326-K328 VanDerWaalsContact C-N 3.35Å
327	G	95.8	Very high	97	Very high	39 Å²	39	55.8 Å²	55.8	40%	0.402	28%	0.283	S	S	.	.	S	Bend	trans	78.3	14.5	178.6	0	0	0	0	0	114.2	D324 V325	D324-G327 PolarHBondContact O-N 3.28Å; D324-G327 PolarHBondContact OD1-N 3.12Å; D324-G327 VanDerWaalsContact OD1-N 3.08Å; V325-G327 VanDerWaalsContact C-N 3.33Å
328	K	96.6	Very high	96.4	Very high	109 Å²	109	52.6 Å²	52.6	47%	0.474	28%	0.275	S	S	.	.			trans	-93.4	140.1	177.3	-63.9	178.1	-178.7	174.2	0	110.3	P299 Q323 D324 S326 R330	P299-K328 HydrophobicContact CG-CB 4.32Å; P299-K328 HydrophobicContact CG-CD 4.5Å; Q323-K328 CarbonylContact C-O 3.27Å; Q323-K328 WeakPolarHBondContact CA-O 3.5Å; Q323-K328 WeakPolarHBondContact CB-O 3.5Å; D324-K328 PolarHBondContact N-O 2.91Å; D324-K328 PolarHBondContact OD1-N 3.26Å; S326-K328 VanDerWaalsContact C-N 3.35Å; K328-R330 PolarHBondContact O-N 3.31Å; K328-R330 VanDerWaalsContact O-N 3.16Å
329	P	97.8	Very high	95	Very high	44 Å²	44	53.8 Å²	53.8	29%	0.286	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	121.6	167.3	-21	31.5	0	0	0	109.7	P299 P302 T321	P299-P329 WeakPolarHBondContact CA-O 3.44Å; P302-P329 HydrophobicContact CG-CB 3.95Å; T321-P329 HydrophobicContact CG2-CB 3.86Å
330	R	98.3	Very high	93	Very high	23 Å²	23	60 Å²	60	9%	0.087	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	-29.9	-171.6	-173.5	57.7	59.8	-173.7	16.6	113.8	E140 E296 V297 R322 D324 K328	E140-R330 HydrophobicContact CB-CG 4.36Å; E296-R330 CarbonylContact C-O 3.48Å; E296-R330 WeakPolarHBondContact CA-O 3.23Å; E296-R330 HydrophobicContact CG-CG 4.17Å; V297-R330 WeakPolarHBondContact CG2-O 3.33Å; V297-R330 PolarHBondContact N-O 2.83Å; V297-R330 WeakPolarHBondContact O-CD 3.3Å; V297-R330 PolarHBondContact O-NH1 3.11Å; R322-R330 PolarHBondContact O-N 3.29Å; D324-R330 HydrophobicContact CB-CB 3.83Å; D324-R330 HydrophobicContact CB-CG 4.09Å; D324-R330 IonicContact OD2-NE 2.8Å; D324-R330 PolarHBondContact OD2-NE 2.79Å; D324-R330 IonicContact OD2-NH2 3.05Å; K328-R330 PolarHBondContact O-N 3.31Å; K328-R330 VanDerWaalsContact O-N 3.16Å
331	F	98.7	Very high	90.8	Very high	2 Å²	2	66 Å²	66	1%	0.009	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127	-176.4	-42.3	-73.2	0	0	0	111.3	E140 E143 L144 L147 L295 E296 T321 R322 D324	E140-F331 VanDerWaalsContact O-CZ 3.31Å; E140-F331 WeakPolarHBondContact O-CZ 3.38Å; E143-F331 HydrophobicContact CB-CE2 3.97Å; E143-F331 HydrophobicContact CB-CZ 3.69Å; L144-F331 HydrophobicContact CB-CD1 3.99Å; L144-F331 HydrophobicContact CB-CE1 3.75Å; L144-F331 HydrophobicContact CD1-CD1 3.93Å; L147-F331 HydrophobicContact CD1-CB 3.83Å; L147-F331 HydrophobicContact CD1-CD1 4.36Å; L147-F331 HydrophobicContact CD1-CD2 3.45Å; L147-F331 VanDerWaalsContact CD1-CD2 3.45Å; L147-F331 HydrophobicContact CD1-CE2 4.11Å; L147-F331 HydrophobicContact CD1-CG 3.6Å; L295-F331 CarbonylContact O-C 3.59Å; L295-F331 WeakPolarHBondContact O-CA 3.46Å; E296-F331 HydrophobicContact CB-CD1 4.41Å; E296-F331 HydrophobicContact CB-CE1 4.49Å; E296-F331 HydrophobicContact CG-CD1 4.45Å; E296-F331 HydrophobicContact CG-CE1 4.18Å; T321-F331 CarbonylContact C-O 3.48Å; T321-F331 VanDerWaalsContact CA-O 3.3Å; T321-F331 WeakPolarHBondContact CA-O 3.46Å; R322-F331 HydrophobicContact CB-CB 4.21Å; R322-F331 HydrophobicContact CB-CD2 4.09Å; R322-F331 PolarHBondContact N-O 3.38Å; R322-F331 PolarHBondContact O-N 3.06Å; D324-F331 HydrophobicContact CB-CE2 4.32Å
332	C	98.8	Very high	87.9	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	132.7	170.5	-69	0	0	0	0	109.6	L295 V297 I305 F318 L334	L295-C332 PolarHBondContact N-O 2.86Å; L295-C332 PolarHBondContact O-N 3.31Å; V297-C332 HydrophobicContact CG1-CB 4.48Å; I305-C332 HydrophobicContact CD1-CB 4.41Å; F318-C332 HydrophobicContact CE2-CB 3.97Å; F318-C332 HydrophobicContact CZ-CB 4.28Å; C332-L334 HydrophobicContact CB-CD1 4.42Å
333	I	98.6	Very high	85.3	Confident	2 Å²	2	67.8 Å²	67.8	1%	0.01	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	127.1	179.2	-53.3	175.6	0	0	0	108.2	V293 Y294 V319 E320 R322	V293-I333 WeakPolarHBondContact O-CA 3.26Å; Y294-I333 HydrophobicContact CD1-CD1 4.21Å; Y294-I333 HydrophobicContact CD1-CG1 3.91Å; Y294-I333 HydrophobicContact CD1-CG2 4.28Å; Y294-I333 HydrophobicContact CE1-CD1 4.09Å; Y294-I333 HydrophobicContact CE1-CG1 4.16Å; Y294-I333 HydrophobicContact CE1-CG2 3.99Å; V319-I333 HydrophobicContact CB-CB 4.49Å; V319-I333 HydrophobicContact CB-CG2 4.33Å; V319-I333 WeakPolarHBondContact CB-O 3.43Å; V319-I333 PolarHBondContact N-O 3.11Å; E320-I333 HydrophobicContact CG-CB 4.19Å; E320-I333 HydrophobicContact CG-CD1 3.92Å; E320-I333 HydrophobicContact CG-CG1 4.36Å; E320-I333 PolarHBondContact N-O 3.3Å; E320-I333 PolarHBondContact O-N 2.61Å; R322-I333 HydrophobicContact CG-CD1 3.96Å
334	L	98.4	Very high	82.7	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	158.3	174.8	-54.4	91.7	0	0	0	110	L280 R292 V293 L295 I305 V309 L316 R317 F318 C332	L280-L334 HydrophobicContact CD1-CD2 4.49Å; L280-L334 HydrophobicContact CD2-CD1 3.81Å; L280-L334 HydrophobicContact CD2-CD2 3.86Å; L280-L334 HydrophobicContact CD2-CG 4.39Å; R292-L334 CarbonylContact C-O 3.52Å; R292-L334 VanDerWaalsContact CA-O 3.25Å; R292-L334 WeakPolarHBondContact CA-O 3.4Å; R292-L334 WeakPolarHBondContact CB-O 3.49Å; V293-L334 HydrophobicContact CB-CB 4.2Å; V293-L334 HydrophobicContact CB-CD1 4.33Å; V293-L334 HydrophobicContact CG1-CD1 4.47Å; V293-L334 PolarHBondContact N-O 2.93Å; V293-L334 PolarHBondContact O-N 3.35Å; L295-L334 HydrophobicContact CD1-CD1 4.37Å; I305-L334 HydrophobicContact CG2-CD2 4.49Å; V309-L334 HydrophobicContact CB-CD2 4.08Å; V309-L334 HydrophobicContact CG1-CD2 3.91Å; V309-L334 HydrophobicContact CG2-CD2 3.81Å; L316-L334 HydrophobicContact CD1-CB 4.28Å; L316-L334 HydrophobicContact CD2-CB 4.25Å; L316-L334 HydrophobicContact CD2-CD2 3.91Å; L316-L334 HydrophobicContact CG-CB 4.08Å; L316-L334 HydrophobicContact CG-CD2 4.2Å; R317-L334 CarbonylContact O-C 3.24Å; R317-L334 VanDerWaalsContact O-CA 3.23Å; R317-L334 WeakPolarHBondContact O-CA 3.46Å; R317-L334 WeakPolarHBondContact O-CB 3.39Å; F318-L334 HydrophobicContact CD2-CD2 4.06Å; F318-L334 HydrophobicContact CD2-CG 4.05Å; C332-L334 HydrophobicContact CB-CD1 4.42Å
335	Q	96.8	Very high	80.2	Confident	50 Å²	50	75.5 Å²	75.5	23%	0.234	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	134	-178.5	179.6	164.2	52.2	0	0	110.6	R290 G291 R292 R317 V319	R290-Q335 PolarHBondContact O-NE2 2.78Å; G291-Q335 WeakPolarHBondContact O-CA 3.41Å; R292-Q335 HydrophobicContact CG-CB 4.07Å; R292-Q335 HydrophobicContact CG-CG 4.13Å; R317-Q335 PolarHBondContact N-O 3.18Å; R317-Q335 PolarHBondContact O-N 3.38Å; V319-Q335 HydrophobicContact CG2-CB 3.59Å
336	K	95.7	Very high	77.9	Confident	24 Å²	24	77.7 Å²	77.7	10%	0.104	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131	170.6	-174.8	179.2	170.8	176	0	109.5	P284 L287 R290 G291 E315 L316	P284-K336 VanDerWaalsContact O-CE 3.32Å; P284-K336 WeakPolarHBondContact O-CE 3.47Å; P284-K336 PolarHBondContact O-NZ 2.9Å; L287-K336 HydrophobicContact CB-CB 4.17Å; L287-K336 HydrophobicContact CB-CD 3.84Å; L287-K336 HydrophobicContact CD1-CB 4.13Å; L287-K336 WeakPolarHBondContact O-CD 3.38Å; L287-K336 PolarHBondContact O-NZ 3.36Å; R290-K336 VanDerWaalsContact CA-O 3.29Å; R290-K336 WeakPolarHBondContact CA-O 3.47Å; R290-K336 PolarHBondContact N-O 3.24Å; G291-K336 PolarHBondContact O-N 3.48Å; E315-K336 CarbonylContact O-C 3.53Å; E315-K336 WeakPolarHBondContact O-CA 3.31Å; L316-K336 HydrophobicContact CD1-CB 4.4Å
337	E	91.8	Very high	75.2	Confident	102 Å²	102	82.4 Å²	82.4	48%	0.477	43%	0.434	S	S	.	.	P	Polyproline II helix	trans	-68.6	162.4	175.3	-58.7	-153.6	151.1	0	0	111.4	E315 R317 S339	E315-E337 PolarHBondContact O-N 3.42Å; R317-E337 HydrophobicContact CB-CG 4.26Å; E337-S339 PolarHBondContact O-N 3.18Å
338	E	84.1	Confident	72.7	Confident	93 Å²	93	91.6 Å²	91.6	44%	0.435	47%	0.474	S	S	.	.	P	Polyproline II helix	trans	-73.7	121.1	174.3	-80.6	-177.9	153.5	0	0	110	N289 R290 H340	N289-E338 HydrophobicContact CB-CG 4.41Å; R290-E338 HydrophobicContact CG-CG 3.83Å; R290-E338 IonicContact CZ-OE1 3.58Å; R290-E338 VanDerWaalsContact CZ-OE1 3.28Å; R290-E338 IonicContact CZ-OE2 2.68Å; R290-E338 IonicContact NE-OE1 2.83Å; R290-E338 PolarHBondContact NE-OE1 3.47Å; R290-E338 IonicContact NE-OE2 3.76Å; R290-E338 IonicContact NH2-OE1 3.76Å; R290-E338 PolarHBondContact NH2-OE1 3.31Å; R290-E338 IonicContact NH2-OE2 3.43Å; R290-E338 PolarHBondContact NH2-OE2 2.94Å; E338-H340 PolarHBondContact O-N 2.92Å; E338-H340 VanDerWaalsContact O-N 3.15Å
339	S	68.9	Low	71.5	Confident	49 Å²	49	90.7 Å²	90.7	34%	0.343	47%	0.474	S	S	.	.			trans	-66.2	115	170.3	67	0	0	0	0	109.5	N289 E337 K341	N289-S339 PolarHBondContact ND2-OG 2.97Å; N289-S339 PolarHBondContact OD1-N 3.49Å; N289-S339 PolarHBondContact OD1-OG 2.84Å; E337-S339 PolarHBondContact O-N 3.18Å; S339-K341 PolarHBondContact O-N 3.15Å
340	H	56.2	Low	70.1	Confident	187 Å²	187	93.2 Å²	93.2	87%	0.866	48%	0.484	S	S	*	.			trans	-72.4	0.8	171.7	-72.5	-57	0	0	0	113.9	E338 A342	E338-H340 PolarHBondContact O-N 2.92Å; E338-H340 VanDerWaalsContact O-N 3.15Å; H340-A342 PolarHBondContact O-N 2.94Å
341	K	51.4	Low	68.5	Low	188 Å²	188	97.1 Å²	97.1	82%	0.817	51%	0.506	S	S	*	.			trans	-76.7	108.8	173.7	-71.6	-177.6	179.4	174.5	0	108.9	S339	S339-K341 PolarHBondContact O-N 3.15Å
342	A	38	Very low	66.8	Low	80 Å²	80	102.6 Å²	102.6	66%	0.661	54%	0.535	S	S	*	.			trans	-54.2	143.1	167.1	0	0	0	0	0	109	H340 E344	H340-A342 PolarHBondContact O-N 2.94Å; A342-E344 PolarHBondContact O-N 3.16Å; A342-E344 VanDerWaalsContact O-N 3.13Å
343	P	43.5	Very low	64.8	Low	115 Å²	115	109.1 Å²	109.1	75%	0.747	57%	0.569	S	S	*	*			trans	-58.1	123.4	167.8	24.5	-29.7	0	0	0	107.2	V345	P343-V345 VanDerWaalsContact C-N 3.32Å; P343-V345 PolarHBondContact O-N 3.26Å
344	E	43.3	Very low	62.5	Low	187 Å²	187	116.2 Å²	116.2	87%	0.874	61%	0.606	S	S	*	*			trans	-56.9	105.9	163.3	-82.6	179.8	159.7	0	0	105.9	A342 D346	A342-E344 PolarHBondContact O-N 3.16Å; A342-E344 VanDerWaalsContact O-N 3.13Å; E344-D346 VanDerWaalsContact C-N 3.32Å; E344-D346 PolarHBondContact O-N 3.26Å
345	V	44.3	Very low	59.9	Low	110 Å²	110	124.5 Å²	124.5	67%	0.667	65%	0.649	S	S	*	*			trans	-68.5	101.9	166.6	-180	0	0	0	0	104.1	P343 Q347	P343-V345 VanDerWaalsContact C-N 3.32Å; P343-V345 PolarHBondContact O-N 3.26Å; V345-Q347 VanDerWaalsContact C-N 3.3Å; V345-Q347 HydrophobicContact CG1-CG 4.22Å; V345-Q347 PolarHBondContact O-N 3.07Å
346	D	43.9	Very low	57.1	Low	149 Å²	149	130.2 Å²	130.2	80%	0.797	68%	0.681	S	S	*	*			trans	-54.1	103.2	160.8	-98.4	-23.8	0	0	0	106.4	E344 D348	E344-D346 VanDerWaalsContact C-N 3.32Å; E344-D346 PolarHBondContact O-N 3.26Å; D346-D348 PolarHBondContact O-N 3.24Å
347	Q	38.3	Very low	53.9	Low	177 Å²	177	139.1 Å²	139.1	83%	0.827	73%	0.729	S	S	*	*			trans	-85.7	94.9	166.6	-70.1	-175.4	5.9	0	0	106.1	V345	V345-Q347 VanDerWaalsContact C-N 3.3Å; V345-Q347 HydrophobicContact CG1-CG 4.22Å; V345-Q347 PolarHBondContact O-N 3.07Å
348	D	43.2	Very low	50.5	Low	232 Å²	232	142.5 Å²	142.5	100%	1.241	75%	0.752	S	S	*	*			trans	-63.5	0	157.5	-85.2	-25.2	0	0	0	111.2	D346	D346-D348 PolarHBondContact O-N 3.24Å

Retrieved 348 of 348 residues in 183.5 ms (Link to these results)

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