A0A087XMF6_POEFO Loading...

Acid ceramidase

AlphaFold DB , UniProt , Accession A0A087XMF6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 428 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.5	Very low	32.9	Very low	242 Å²	242	173.6 Å²	173.6	100%	1.192	86%	0.859	S	S	*	*				0	124.3	0	-94.5	174.5	167.1	0	0	108.3
2	A	32.7	Very low	32.8	Very low	90 Å²	90	172.9 Å²	172.9	74%	0.744	86%	0.861	S	S	*	*			trans	46.7	135.8	156.6	0	0	0	0	0	118.8
3	Q	30.3	Very low	33.1	Very low	184 Å²	184	174.6 Å²	174.6	86%	0.86	86%	0.86	S	S	*	*			cis	-168.7	146.1	28.9	-130.2	165.8	20.2	0	0	109
4	S	29.6	Very low	33.4	Very low	105 Å²	105	179.9 Å²	179.9	73%	0.734	87%	0.866	S	S	*	*			trans	-70.8	144.2	170.5	59.2	0	0	0	0	111.4
5	K	34.8	Very low	33.8	Very low	199 Å²	199	180.7 Å²	180.7	87%	0.865	86%	0.863	S	S	*	*			trans	-137.5	110.9	154.7	-95.5	-176.5	180	174.9	0	109.8
6	V	33.5	Very low	33.8	Very low	137 Å²	137	180 Å²	180	83%	0.83	87%	0.865	S	S	*	*			trans	-74.9	135.1	166.9	170.2	0	0	0	0	108.4
7	T	34	Very low	33.9	Very low	126 Å²	126	182.1 Å²	182.1	77%	0.773	87%	0.869	S	S	*	*			trans	-148.2	115.6	160.8	-7.1	0	0	0	0	112.6
8	R	32.1	Very low	34.1	Very low	235 Å²	235	177.2 Å²	177.2	89%	0.887	86%	0.864	S	S	*	*			trans	44.5	120.1	144.9	-80.7	-179.9	169.9	179.8	-2.8	122.4
9	R	34.6	Very low	34.3	Very low	243 Å²	243	173.8 Å²	173.8	92%	0.917	86%	0.86	S	S	*	*			trans	-39.1	142.8	151.7	-76.3	176.9	169.7	-179.2	-3.3	114.3
10	R	31	Very low	34.3	Very low	248 Å²	248	173.6 Å²	173.6	94%	0.936	86%	0.862	S	S	*	*				-157.6	133.3	120.6	-105.5	174.7	-175	-169.7	0.9	110.5
11	S	34.3	Very low	34.5	Very low	101 Å²	101	174.2 Å²	174.2	71%	0.706	86%	0.859	S	S	*	*			trans	-61.9	146.9	179.3	51.3	0	0	0	0	113.1
12	N	32.5	Very low	34.6	Very low	165 Å²	165	168.8 Å²	168.8	88%	0.882	84%	0.842	S	S	*	*			trans	-156.3	122.9	143.3	-95.8	-25.2	0	0	0	111.6
13	F	35.9	Very low	34.8	Very low	195 Å²	195	173.9 Å²	173.9	86%	0.855	85%	0.847	S	S	*	*			trans	-54.7	128.3	170.5	-95.4	-103.8	0	0	0	111.5
14	R	37.8	Very low	35.3	Very low	249 Å²	249	174.4 Å²	174.4	94%	0.94	85%	0.85	S	S	*	*			trans	-143.8	114.1	152.8	-109.1	177.7	-178.1	-178.4	0.6	110.4
15	K	38.9	Very low	35.8	Very low	191 Å²	191	175.5 Å²	175.5	83%	0.83	85%	0.852	S	S	*	*			trans	-66.7	144.9	179.2	-76.4	176.5	171.5	178.9	0	111.8
16	L	35	Very low	36.4	Very low	170 Å²	170	174.9 Å²	174.9	89%	0.89	85%	0.852	S	S	*	*			trans	-46.9	132.1	164.4	-88	73.6	0	0	0	111.8
17	K	34.7	Very low	37.2	Very low	216 Å²	216	172.4 Å²	172.4	94%	0.939	84%	0.837	S	S	*	*			trans	-100.7	113.7	156.9	-88.2	-175.8	174.2	-177.9	0	107.9
18	A	37.4	Very low	37.9	Very low	93 Å²	93	170.3 Å²	170.3	77%	0.769	83%	0.826	S	S	*	*			trans	-115.5	143.6	164.2	0	0	0	0	0	109.4
19	S	38.6	Very low	38.7	Very low	113 Å²	113	169.7 Å²	169.7	79%	0.79	82%	0.824	S	S	*	*			trans	-49.6	134	-174.5	164.7	0	0	0	0	116.4
20	L	34.2	Very low	39.2	Very low	170 Å²	170	161.9 Å²	161.9	89%	0.89	81%	0.806	S	S	*	*			trans	-138.7	111.7	161.3	-95	151.1	0	0	0	109.2
21	K	38.1	Very low	39.8	Very low	187 Å²	187	152.4 Å²	152.4	81%	0.813	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-71.3	142.5	163.5	-78	-178.4	175.7	-179.4	0	108.9	K23	K21-K23 PolarHBondContact O-N 3.16Å
22	P	35.5	Very low	40.4	Very low	127 Å²	127	156 Å²	156	83%	0.825	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-73.3	124.9	173.4	14.7	-5.5	0	0	0	110.2	Q24	P22-Q24 PolarHBondContact O-N 3.26Å
23	K	37.2	Very low	40.9	Very low	197 Å²	197	154 Å²	154	86%	0.857	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-62.6	125.3	164.4	-84.5	179	172.1	179.8	0	108.3	K21 T25	K21-K23 PolarHBondContact O-N 3.16Å; K23-T25 PolarHBondContact O-N 3.4Å
24	Q	40.7	Very low	41.3	Very low	195 Å²	195	149.6 Å²	149.6	91%	0.911	76%	0.756	S	S	*	*			trans	-61.7	114.9	161.1	-83	178	-21.7	0	0	107.7	P22 E26	P22-Q24 PolarHBondContact O-N 3.26Å; Q24-E26 PolarHBondContact O-N 3.28Å
25	T	41.1	Very low	41.5	Very low	129 Å²	129	139.2 Å²	139.2	79%	0.791	73%	0.726	S	S	*	*			trans	-75	109.6	172.3	42.7	0	0	0	0	108.4	K23 V27	K23-T25 PolarHBondContact O-N 3.4Å; T25-V27 PolarHBondContact O-N 2.73Å
26	E	46.4	Very low	41.9	Very low	185 Å²	185	136.3 Å²	136.3	86%	0.864	72%	0.717	S	S	*	*	P	Polyproline II helix	trans	-60.4	125.1	167	-75.2	-174.2	154.2	0	0	109.5	Q24	Q24-E26 PolarHBondContact O-N 3.28Å
27	V	50.7	Low	42.2	Very low	85 Å²	85	131 Å²	131	52%	0.515	70%	0.699	S	S	.	*	P	Polyproline II helix	trans	-65.9	127.6	173.3	177.1	0	0	0	0	108.4	T25 R29 A31 R32	T25-V27 PolarHBondContact O-N 2.73Å; V27-R29 PolarHBondContact O-N 3.47Å; V27-A31 HydrophobicContact CG1-CB 3.71Å; V27-R32 HydrophobicContact CG1-CG 4.45Å
28	P	48.4	Very low	42.6	Very low	82 Å²	82	129.5 Å²	129.5	53%	0.532	69%	0.687	S	S	.	*	P	Polyproline II helix	trans	-56.5	139.2	179.7	-21.8	30.5	0	0	0	111.4	S30 A31	P28-S30 PolarHBondContact O-N 2.94Å; P28-A31 WeakPolarHBondContact O-CB 3.33Å; P28-A31 PolarHBondContact O-N 2.85Å
29	R	49.7	Very low	43.1	Very low	223 Å²	223	131.3 Å²	131.3	84%	0.842	68%	0.679	S	S	*	*	H	α-helix	trans	-49.2	-32.2	176.3	-93.2	-179.2	175.4	174	-1.1	113.2	V27 R32 L33	V27-R29 PolarHBondContact O-N 3.47Å; R29-R32 PolarHBondContact O-N 3.21Å; R29-L33 PolarHBondContact O-N 3.48Å; R29-L33 VanDerWaalsContact O-N 3.17Å
30	S	44.9	Very low	43.9	Very low	79 Å²	79	129.6 Å²	129.6	55%	0.552	66%	0.664	S	S	*	*	H	α-helix	trans	-63.4	-38	176	55.9	0	0	0	0	113.3	P28 L33 V34	P28-S30 PolarHBondContact O-N 2.94Å; S30-L33 PolarHBondContact O-N 2.95Å; S30-V34 VanDerWaalsContact O-CG2 3.28Å; S30-V34 WeakPolarHBondContact O-CG2 3.47Å; S30-V34 PolarHBondContact O-N 3.25Å
31	A	43.1	Very low	44.4	Very low	48 Å²	48	127.4 Å²	127.4	40%	0.397	65%	0.653	S	S	.	*	H	α-helix	trans	-71.6	-30.4	179.3	0	0	0	0	0	112.3	V27 P28 G35	V27-A31 HydrophobicContact CG1-CB 3.71Å; P28-A31 WeakPolarHBondContact O-CB 3.33Å; P28-A31 PolarHBondContact O-N 2.85Å; A31-G35 PolarHBondContact O-N 3.48Å
32	R	48.3	Very low	44.8	Very low	178 Å²	178	123.3 Å²	123.3	67%	0.672	64%	0.639	S	S	*	*	H	α-helix	trans	-70.6	-39.3	171.8	-71.5	-171.9	-173.7	-172	2.4	112.6	V27 R29 G35 M36	V27-R32 HydrophobicContact CG1-CG 4.45Å; R29-R32 PolarHBondContact O-N 3.21Å; R32-G35 PolarHBondContact O-N 3.44Å; R32-M36 PolarHBondContact O-N 3.21Å
33	L	42.4	Very low	45.5	Very low	123 Å²	123	122.8 Å²	122.8	64%	0.644	63%	0.629	S	S	*	*	H	α-helix	trans	-63.9	-42.1	174.8	-90.4	149.7	0	0	0	112.2	R29 S30 M36 A37	R29-L33 PolarHBondContact O-N 3.48Å; R29-L33 VanDerWaalsContact O-N 3.17Å; S30-L33 PolarHBondContact O-N 2.95Å; L33-M36 PolarHBondContact O-N 3.25Å; L33-A37 WeakPolarHBondContact O-CB 3.4Å; L33-A37 PolarHBondContact O-N 2.79Å
34	V	44.2	Very low	45.9	Very low	101 Å²	101	118.3 Å²	118.3	61%	0.612	61%	0.614	S	S	*	*	H	α-helix	trans	-67.4	-36.6	175.7	174.3	0	0	0	0	111.5	S30 R38	S30-V34 VanDerWaalsContact O-CG2 3.28Å; S30-V34 WeakPolarHBondContact O-CG2 3.47Å; S30-V34 PolarHBondContact O-N 3.25Å; V34-R38 WeakPolarHBondContact O-CB 3.42Å; V34-R38 PolarHBondContact O-N 3.35Å
35	G	42.8	Very low	46.2	Very low	31 Å²	31	111.5 Å²	111.5	32%	0.32	59%	0.591	S	S	.	*	H	α-helix	trans	-62.3	-49.6	173.2	0	0	0	0	0	112.8	A31 R32 A37 R38 E39	A31-G35 PolarHBondContact O-N 3.48Å; R32-G35 PolarHBondContact O-N 3.44Å; G35-A37 PolarHBondContact O-N 3.03Å; G35-R38 PolarHBondContact O-N 2.93Å; G35-E39 PolarHBondContact O-N 3.31Å
36	M	46.6	Very low	46.4	Very low	130 Å²	130	109 Å²	109	64%	0.64	58%	0.576	S	S	*	*	H	α-helix	trans	-61.9	-43	175.7	-83.6	-175.6	72.4	0	0	112.4	R32 L33 R38 E39 V40	R32-M36 PolarHBondContact O-N 3.21Å; L33-M36 PolarHBondContact O-N 3.25Å; M36-R38 VanDerWaalsContact C-N 3.27Å; M36-R38 PolarHBondContact O-N 3.36Å; M36-E39 PolarHBondContact O-N 2.91Å; M36-V40 WeakPolarHBondContact O-CB 3.01Å; M36-V40 VanDerWaalsContact O-CG2 3.27Å; M36-V40 WeakPolarHBondContact O-CG2 3.37Å; M36-V40 PolarHBondContact O-N 2.96Å
37	A	42.1	Very low	46.5	Very low	60 Å²	60	107.6 Å²	107.6	50%	0.496	57%	0.567	S	S	.	*	H	α-helix	trans	-61.1	-38	177.3	0	0	0	0	0	111.8	L33 G35 L41	L33-A37 WeakPolarHBondContact O-CB 3.4Å; L33-A37 PolarHBondContact O-N 2.79Å; G35-A37 PolarHBondContact O-N 3.03Å; A37-L41 VanDerWaalsContact O-CB 3.28Å; A37-L41 WeakPolarHBondContact O-CB 3.38Å; A37-L41 PolarHBondContact O-N 3.42Å
38	R	43.3	Very low	46.4	Very low	183 Å²	183	108.2 Å²	108.2	69%	0.691	57%	0.567	S	S	*	*	H	α-helix	trans	-70.6	-38.6	177.8	-165.1	176.4	178	-172.9	-1.3	112.3	V34 G35 M36 L41 L42	V34-R38 WeakPolarHBondContact O-CB 3.42Å; V34-R38 PolarHBondContact O-N 3.35Å; G35-R38 PolarHBondContact O-N 2.93Å; M36-R38 VanDerWaalsContact C-N 3.27Å; M36-R38 PolarHBondContact O-N 3.36Å; R38-L41 PolarHBondContact O-N 3.46Å; R38-L42 HydrophobicContact CG-CD1 4.2Å; R38-L42 WeakPolarHBondContact O-CB 3.48Å; R38-L42 WeakPolarHBondContact O-CD1 3.43Å; R38-L42 VanDerWaalsContact O-CG 3.31Å; R38-L42 WeakPolarHBondContact O-CG 3.45Å; R38-L42 PolarHBondContact O-N 2.93Å
39	E	47.6	Very low	46.1	Very low	131 Å²	131	107.3 Å²	107.3	61%	0.612	57%	0.566	S	S	*	*	H	α-helix	trans	-68.4	-40.6	174.4	-73.7	-173.8	-177.2	0	0	112.2	G35 M36 L42 L43	G35-E39 PolarHBondContact O-N 3.31Å; M36-E39 PolarHBondContact O-N 2.91Å; E39-L42 PolarHBondContact O-N 3.37Å; E39-L43 WeakPolarHBondContact O-CB 3.47Å; E39-L43 VanDerWaalsContact O-CG 3.32Å; E39-L43 WeakPolarHBondContact O-CG 3.47Å; E39-L43 PolarHBondContact O-N 2.92Å
40	V	54	Low	45.9	Very low	78 Å²	78	101.5 Å²	101.5	47%	0.473	56%	0.555	S	S	.	*	H	α-helix	trans	-62.7	-42.5	172.7	171.3	0	0	0	0	110.8	M36 L43 L44	M36-V40 WeakPolarHBondContact O-CB 3.01Å; M36-V40 VanDerWaalsContact O-CG2 3.27Å; M36-V40 WeakPolarHBondContact O-CG2 3.37Å; M36-V40 PolarHBondContact O-N 2.96Å; V40-L43 PolarHBondContact O-N 2.82Å; V40-L44 HydrophobicContact CG1-CD1 3.78Å; V40-L44 WeakPolarHBondContact O-CB 3.4Å; V40-L44 PolarHBondContact O-N 2.95Å
41	L	46.3	Very low	46	Very low	124 Å²	124	99.3 Å²	99.3	65%	0.649	54%	0.54	S	S	*	.	H	α-helix	trans	-66.4	-38.1	177.6	-156.2	83.6	0	0	0	112.1	A37 R38 A45	A37-L41 VanDerWaalsContact O-CB 3.28Å; A37-L41 WeakPolarHBondContact O-CB 3.38Å; A37-L41 PolarHBondContact O-N 3.42Å; R38-L41 PolarHBondContact O-N 3.46Å; L41-A45 VanDerWaalsContact O-CB 3.23Å; L41-A45 WeakPolarHBondContact O-CB 3.38Å; L41-A45 PolarHBondContact O-N 3.46Å
42	L	44.8	Very low	46	Very low	100 Å²	100	100.2 Å²	100.2	52%	0.524	55%	0.548	S	S	.	.	H	α-helix	trans	-69.8	-38.4	175.3	-80.9	160.2	0	0	0	111.8	R38 E39 A45 T46	R38-L42 HydrophobicContact CG-CD1 4.2Å; R38-L42 WeakPolarHBondContact O-CB 3.48Å; R38-L42 WeakPolarHBondContact O-CD1 3.43Å; R38-L42 VanDerWaalsContact O-CG 3.31Å; R38-L42 WeakPolarHBondContact O-CG 3.45Å; R38-L42 PolarHBondContact O-N 2.93Å; E39-L42 PolarHBondContact O-N 3.37Å; L42-A45 PolarHBondContact O-N 2.96Å; L42-T46 WeakPolarHBondContact O-CB 3.26Å; L42-T46 WeakPolarHBondContact O-CG2 3.38Å; L42-T46 PolarHBondContact O-N 3.23Å; L42-T46 PolarHBondContact O-OG1 3.13Å
43	L	51.1	Low	45.6	Very low	117 Å²	117	95.6 Å²	95.6	61%	0.613	55%	0.548	S	S	*	.	H	α-helix	trans	-65.7	-43.9	172.8	-78	163.9	0	0	0	111	E39 V40 T46 F47	E39-L43 WeakPolarHBondContact O-CB 3.47Å; E39-L43 VanDerWaalsContact O-CG 3.32Å; E39-L43 WeakPolarHBondContact O-CG 3.47Å; E39-L43 PolarHBondContact O-N 2.92Å; V40-L43 PolarHBondContact O-N 2.82Å; L43-T46 WeakPolarHBondContact CA-OG1 3.39Å; L43-T46 PolarHBondContact O-N 2.71Å; L43-T46 PolarHBondContact O-OG1 3.44Å; L43-T46 VanDerWaalsContact O-OG1 3.1Å; L43-F47 VanDerWaalsContact O-CB 3.28Å; L43-F47 WeakPolarHBondContact O-CB 3.27Å; L43-F47 PolarHBondContact O-N 2.85Å
44	L	46.5	Very low	45.6	Very low	102 Å²	102	95.3 Å²	95.3	53%	0.534	54%	0.543	S	S	.	.	H	α-helix	trans	-60.6	-46.3	172.9	-103.9	126.5	0	0	0	111.6	V40 F47 L48	V40-L44 HydrophobicContact CG1-CD1 3.78Å; V40-L44 WeakPolarHBondContact O-CB 3.4Å; V40-L44 PolarHBondContact O-N 2.95Å; L44-F47 PolarHBondContact O-N 3.24Å; L44-L48 VanDerWaalsContact O-CB 3.27Å; L44-L48 WeakPolarHBondContact O-CB 3.39Å; L44-L48 WeakPolarHBondContact O-CD1 3.3Å; L44-L48 WeakPolarHBondContact O-CG 3.4Å; L44-L48 PolarHBondContact O-N 3.15Å
45	A	46.6	Very low	46	Very low	52 Å²	52	92.7 Å²	92.7	43%	0.43	52%	0.523	S	S	.	.	H	α-helix	trans	-66.6	-38.1	-179.7	0	0	0	0	0	112.7	L41 L42 A49	L41-A45 VanDerWaalsContact O-CB 3.23Å; L41-A45 WeakPolarHBondContact O-CB 3.38Å; L41-A45 PolarHBondContact O-N 3.46Å; L42-A45 PolarHBondContact O-N 2.96Å; A45-A49 WeakPolarHBondContact O-CB 3.5Å; A45-A49 PolarHBondContact O-N 3.04Å
46	T	45.3	Very low	46.4	Very low	78 Å²	78	96.5 Å²	96.5	48%	0.479	54%	0.54	S	S	.	.	H	α-helix	trans	-74.1	-37.5	176.1	46.9	0	0	0	0	112	L42 L43 A49 V50	L42-T46 WeakPolarHBondContact O-CB 3.26Å; L42-T46 WeakPolarHBondContact O-CG2 3.38Å; L42-T46 PolarHBondContact O-N 3.23Å; L42-T46 PolarHBondContact O-OG1 3.13Å; L43-T46 WeakPolarHBondContact CA-OG1 3.39Å; L43-T46 PolarHBondContact O-N 2.71Å; L43-T46 PolarHBondContact O-OG1 3.44Å; L43-T46 VanDerWaalsContact O-OG1 3.1Å; T46-A49 PolarHBondContact O-N 3.36Å; T46-V50 WeakPolarHBondContact O-CG2 3.44Å; T46-V50 PolarHBondContact O-N 2.99Å
47	F	48.3	Very low	47	Very low	154 Å²	154	95.3 Å²	95.3	68%	0.675	54%	0.542	S	S	*	.	H	α-helix	trans	-59.8	-49	170.7	-137.2	-94.5	0	0	0	109.9	L43 L44 A49 V50 S51	L43-F47 VanDerWaalsContact O-CB 3.28Å; L43-F47 WeakPolarHBondContact O-CB 3.27Å; L43-F47 PolarHBondContact O-N 2.85Å; L44-F47 PolarHBondContact O-N 3.24Å; F47-A49 PolarHBondContact O-N 2.97Å; F47-V50 PolarHBondContact O-N 2.79Å; F47-S51 PolarHBondContact O-N 3.29Å; F47-S51 PolarHBondContact O-OG 2.88Å
48	L	47.8	Very low	48	Very low	98 Å²	98	97 Å²	97	51%	0.513	55%	0.548	S	S	.	.	H	α-helix	trans	-56.6	-45.4	176.7	-76.3	164.8	0	0	0	112.4	L44 S51 A52	L44-L48 VanDerWaalsContact O-CB 3.27Å; L44-L48 WeakPolarHBondContact O-CB 3.39Å; L44-L48 WeakPolarHBondContact O-CD1 3.3Å; L44-L48 WeakPolarHBondContact O-CG 3.4Å; L44-L48 PolarHBondContact O-N 3.15Å; L48-S51 VanDerWaalsContact C-OG 3.27Å; L48-S51 WeakPolarHBondContact CA-OG 3.27Å; L48-S51 PolarHBondContact O-N 2.77Å; L48-S51 PolarHBondContact O-OG 3.28Å; L48-A52 WeakPolarHBondContact O-CB 3.35Å; L48-A52 PolarHBondContact O-N 2.91Å
49	A	42.6	Very low	49.6	Very low	64 Å²	64	90.2 Å²	90.2	53%	0.529	52%	0.523	S	S	.	.	H	α-helix	trans	-67.7	-38.6	179.8	0	0	0	0	0	113.3	A45 T46 F47 A52	A45-A49 WeakPolarHBondContact O-CB 3.5Å; A45-A49 PolarHBondContact O-N 3.04Å; T46-A49 PolarHBondContact O-N 3.36Å; F47-A49 PolarHBondContact O-N 2.97Å; A49-A52 PolarHBondContact O-N 3.25Å
50	V	45.8	Very low	51.2	Low	100 Å²	100	87.7 Å²	87.7	61%	0.606	52%	0.516	S	S	*	.	H	α-helix	trans	-75.4	-34	177.8	175.9	0	0	0	0	111.3	T46 F47	T46-V50 WeakPolarHBondContact O-CG2 3.44Å; T46-V50 PolarHBondContact O-N 2.99Å; F47-V50 PolarHBondContact O-N 2.79Å
51	S	45.6	Very low	53.1	Low	33 Å²	33	87.2 Å²	87.2	23%	0.231	51%	0.509	C	S	.	.	H	α-helix	trans	-62.2	-45.3	169	33.9	0	0	0	0	111.5	F47 L48 A53 Q54 F55	F47-S51 PolarHBondContact O-N 3.29Å; F47-S51 PolarHBondContact O-OG 2.88Å; L48-S51 VanDerWaalsContact C-OG 3.27Å; L48-S51 WeakPolarHBondContact CA-OG 3.27Å; L48-S51 PolarHBondContact O-N 2.77Å; L48-S51 PolarHBondContact O-OG 3.28Å; S51-A53 PolarHBondContact O-N 3.45Å; S51-A53 VanDerWaalsContact O-N 3.13Å; S51-Q54 PolarHBondContact O-N 3.42Å; S51-F55 WeakPolarHBondContact O-CD2 3.43Å; S51-F55 WeakPolarHBondContact O-CE2 3.22Å
52	A	43.7	Very low	55.4	Low	68 Å²	68	87 Å²	87	56%	0.562	51%	0.509	S	S	*	.	H	α-helix	trans	-57.6	-32.8	-176.9	0	0	0	0	0	113.7	L48 A49 Q54 F55	L48-A52 WeakPolarHBondContact O-CB 3.35Å; L48-A52 PolarHBondContact O-N 2.91Å; A49-A52 PolarHBondContact O-N 3.25Å; A52-Q54 VanDerWaalsContact C-N 3.31Å; A52-Q54 PolarHBondContact O-N 3.49Å; A52-F55 PolarHBondContact O-N 3.17Å
53	A	40.1	Very low	57.9	Low	81 Å²	81	83.1 Å²	83.1	67%	0.669	49%	0.49	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-15.8	178.6	0	0	0	0	0	114.4	S51	S51-A53 PolarHBondContact O-N 3.45Å; S51-A53 VanDerWaalsContact O-N 3.13Å
54	Q	43.5	Very low	60.1	Low	116 Å²	116	81.3 Å²	81.3	54%	0.542	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-0.8	177.5	-67.5	-169.9	-21.3	0	0	113.6	S51 A52 Y59	S51-Q54 PolarHBondContact O-N 3.42Å; A52-Q54 VanDerWaalsContact C-N 3.31Å; A52-Q54 PolarHBondContact O-N 3.49Å; Q54-Y59 PolarHBondContact O-OH 3.01Å
55	F	52.5	Low	62.5	Low	47 Å²	47	81.8 Å²	81.8	21%	0.206	48%	0.482	C	S	.	.			trans	-115.8	66.6	-172.7	-59.9	-61.2	0	0	0	113.5	S51 A52 Y59 P427 W428	S51-F55 WeakPolarHBondContact O-CD2 3.43Å; S51-F55 WeakPolarHBondContact O-CE2 3.22Å; A52-F55 PolarHBondContact O-N 3.17Å; F55-Y59 VanDerWaalsContact CA-OH 3.27Å; F55-Y59 WeakPolarHBondContact CA-OH 3.35Å; F55-Y59 HydrophobicContact CB-CE2 3.82Å; F55-Y59 HydrophobicContact CD1-CE1 4.33Å; F55-Y59 HydrophobicContact CD1-CE2 4.28Å; F55-Y59 AromaticContact CD1-CZ 3.85Å; F55-P427 HydrophobicContact CD1-CG 4.29Å; F55-P427 HydrophobicContact CE1-CB 4.43Å; F55-P427 HydrophobicContact CE1-CG 3.72Å; F55-P427 HydrophobicContact CE2-CG 4.23Å; F55-P427 HydrophobicContact CZ-CB 4.35Å; F55-P427 HydrophobicContact CZ-CG 3.71Å; F55-W428 HydrophobicContact CD2-CH2 4.43Å
56	V	51	Low	65	Low	110 Å²	110	81.4 Å²	81.4	67%	0.667	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-87.8	127.3	174.4	-172.8	0	0	0	0	111.6	Y59	V56-Y59 PolarHBondContact N-OH 2.87Å; V56-Y59 VanDerWaalsContact O-CE2 3.24Å; V56-Y59 WeakPolarHBondContact O-CE2 3.26Å
57	P	59.3	Low	67.5	Low	106 Å²	106	78.1 Å²	78.1	69%	0.688	46%	0.462	S	S	*	.	S	Bend	trans	-53.9	161.6	-179.4	-28.6	35.2	0	0	0	116.8
58	P	62.6	Low	69.9	Low	96 Å²	96	73.1 Å²	73.1	62%	0.623	44%	0.439	S	S	*	.	P	Polyproline II helix	cis	-99.6	119	1.5	34.3	-27.4	0	0	0	113.2
59	Y	75.8	Confident	72.2	Confident	40 Å²	40	72.9 Å²	72.9	16%	0.157	44%	0.444	C	S	.	.	S	Bend	trans	-80.6	-3.1	164.8	-66.8	-75.8	0	0	0	112.8	Q54 F55 V56 K394 P424 C425	Q54-Y59 PolarHBondContact O-OH 3.01Å; F55-Y59 VanDerWaalsContact CA-OH 3.27Å; F55-Y59 WeakPolarHBondContact CA-OH 3.35Å; F55-Y59 HydrophobicContact CB-CE2 3.82Å; F55-Y59 HydrophobicContact CD1-CE1 4.33Å; F55-Y59 HydrophobicContact CD1-CE2 4.28Å; F55-Y59 AromaticContact CD1-CZ 3.85Å; V56-Y59 PolarHBondContact N-OH 2.87Å; V56-Y59 VanDerWaalsContact O-CE2 3.24Å; V56-Y59 WeakPolarHBondContact O-CE2 3.26Å; Y59-K394 VanDerWaalsContact O-CB 3.26Å; Y59-K394 WeakPolarHBondContact O-CB 3.19Å; Y59-P424 HydrophobicContact CD1-CB 4.29Å; Y59-P424 HydrophobicContact CE1-CB 4.06Å; Y59-C425 VanDerWaalsContact CD1-C 3.46Å
60	T	82.9	Confident	74.9	Confident	77 Å²	77	70.6 Å²	70.6	47%	0.472	42%	0.424	S	S	.	.			trans	-106.2	160.6	175.9	60.7	0	0	0	0	109.4	P395	T60-P395 HydrophobicContact CG2-CG 4.17Å
61	E	92.3	Very high	77.3	Confident	68 Å²	68	70 Å²	70	32%	0.318	42%	0.417	S	S	.	.			trans	-143.6	168.1	179.6	65.5	-166.8	166.6	0	0	111	R64 T393 K394	E61-R64 HydrophobicContact CG-CG 4.46Å; E61-R64 VanDerWaalsContact OE1-CD 3.3Å; E61-R64 WeakPolarHBondContact OE1-CD 3.4Å; E61-T393 HydrophobicContact CG-CG2 3.92Å; E61-T393 WeakPolarHBondContact OE1-CA 3.27Å; E61-K394 HydrophobicContact CG-CB 4Å; E61-K394 PolarHBondContact N-O 2.97Å; E61-K394 WeakPolarHBondContact OE1-CG 3.2Å; E61-K394 PolarHBondContact OE1-N 3.27Å
62	D	95.4	Very high	79.7	Confident	120 Å²	120	70.5 Å²	70.5	64%	0.642	43%	0.427	S	S	*	.	S	Bend	trans	-67.9	153.8	168.9	-81.9	-39.3	0	0	0	111.1	R64 K372	D62-R64 PolarHBondContact O-N 2.92Å; D62-K372 IonicContact OD1-NZ 2.81Å
63	C	97.5	Very high	82.3	Confident	19 Å²	19	71.6 Å²	71.6	13%	0.128	43%	0.428	C	S	.	.	P	Polyproline II helix	trans	-50.6	116.1	179.2	-55.9	0	0	0	0	111.3	C373 K376	C63-C373 WeakPolarHBondContact CA-SG 3.18Å; C63-C373 HydrophobicContact CB-CB 3.76Å; C63-C373 WeakPolarHBondContact CB-SG 3.38Å; C63-C373 WeakPolarHBondContact SG-CA 3.45Å; C63-C373 WeakPolarHBondContact SG-CB 3.19Å; C63-C373 CovalentContact SG-SG 2.04Å; C63-C373 PolarHBondContact SG-SG 3.44Å; C63-K376 HydrophobicContact CB-CD 4.21Å
64	R	97.3	Very high	85	Confident	78 Å²	78	67.8 Å²	67.8	29%	0.294	40%	0.397	S	S	.	.	P	Polyproline II helix	trans	-68	159.2	178.5	-62.9	-165.6	74.2	178.9	1.9	110.3	E61 D62 M67 D389 S392 T393	E61-R64 HydrophobicContact CG-CG 4.46Å; E61-R64 VanDerWaalsContact OE1-CD 3.3Å; E61-R64 WeakPolarHBondContact OE1-CD 3.4Å; D62-R64 PolarHBondContact O-N 2.92Å; R64-M67 HydrophobicContact CB-CG 3.9Å; R64-M67 HydrophobicContact CB-SD 4.4Å; R64-M67 PolarHBondContact NE-SD 2.75Å; R64-M67 VanDerWaalsContact NH2-CE 3.32Å; R64-M67 PolarHBondContact NH2-SD 3Å; R64-D389 WeakPolarHBondContact O-CB 3.47Å; R64-S392 VanDerWaalsContact CD-O 3.26Å; R64-S392 WeakPolarHBondContact CD-O 3.45Å; R64-T393 PolarHBondContact N-OG1 3.27Å
65	T	97.6	Very high	87.6	Confident	113 Å²	113	65 Å²	65	69%	0.693	38%	0.383	S	S	*	.			trans	-142.2	154.7	173.7	58.9	0	0	0	0	109.4	M67 D389	T65-M67 VanDerWaalsContact C-N 3.3Å; T65-M67 PolarHBondContact O-N 2.75Å; T65-D389 WeakPolarHBondContact CA-OD2 3.43Å
66	G	97.2	Very high	89.8	Confident	43 Å²	43	67.4 Å²	67.4	44%	0.443	39%	0.393	S	S	.	.			trans	71.6	24.2	174.2	0	0	0	0	0	114.2	Y68 D389	G66-Y68 VanDerWaalsContact C-N 3.27Å; G66-D389 PolarHBondContact N-OD1 3.1Å; G66-D389 PolarHBondContact N-OD2 3.26Å
67	M	98.2	Very high	92	Very high	9 Å²	9	62.7 Å²	62.7	4%	0.044	37%	0.367	C	S	.	.			trans	-80.1	-11	176.8	-59	-54.9	-59	0	0	113	R64 T65 P69 P70 T74 Y388 D389	R64-M67 HydrophobicContact CB-CG 3.9Å; R64-M67 HydrophobicContact CB-SD 4.4Å; R64-M67 PolarHBondContact NE-SD 2.75Å; R64-M67 VanDerWaalsContact NH2-CE 3.32Å; R64-M67 PolarHBondContact NH2-SD 3Å; T65-M67 VanDerWaalsContact C-N 3.3Å; T65-M67 PolarHBondContact O-N 2.75Å; M67-P69 CarbonylContact O-C 3.58Å; M67-P70 WeakPolarHBondContact O-CA 3.33Å; M67-T74 VanDerWaalsContact CE-OG1 3.29Å; M67-T74 WeakPolarHBondContact CE-OG1 3.49Å; M67-Y388 HydrophobicContact CB-CD1 3.77Å; M67-Y388 HydrophobicContact CB-CE1 3.93Å; M67-Y388 WeakPolarHBondContact O-CD1 3.24Å; M67-Y388 WeakPolarHBondContact O-CE1 3.39Å; M67-D389 WeakPolarHBondContact CA-OD1 3.49Å; M67-D389 WeakPolarHBondContact CB-OD1 3.35Å; M67-D389 PolarHBondContact N-OD1 3.23Å
68	Y	98.3	Very high	93.9	Very high	49 Å²	49	62.3 Å²	62.3	19%	0.192	37%	0.365	C	S	.	.			trans	-115.1	133.9	178.4	-170.3	-82.9	0	0	0	111.7	G66 P70 K385 Y388 L406 E415 Y417	G66-Y68 VanDerWaalsContact C-N 3.27Å; Y68-P70 HydrophobicContact CD2-CG 4.27Å; Y68-K385 HydrophobicContact CD1-CB 3.87Å; Y68-K385 HydrophobicContact CD1-CG 4.42Å; Y68-K385 HydrophobicContact CG-CB 4.05Å; Y68-K385 HydrophobicContact CG-CG 4.49Å; Y68-Y388 HydrophobicContact CD2-CD1 4.39Å; Y68-Y388 HydrophobicContact CD2-CG 4.17Å; Y68-L406 HydrophobicContact CD2-CD1 4.28Å; Y68-L406 HydrophobicContact CE2-CD1 4.09Å; Y68-E415 VanDerWaalsContact CE2-OE2 3.27Å; Y68-E415 WeakPolarHBondContact CE2-OE2 3.33Å; Y68-E415 VanDerWaalsContact OH-CD 3.25Å; Y68-E415 PolarHBondContact OH-OE1 2.97Å; Y68-E415 VanDerWaalsContact OH-OE1 3.05Å; Y68-E415 PolarHBondContact OH-OE2 3.29Å; Y68-Y417 HydrophobicContact CE2-CE2 4.31Å
69	P	98	Very high	95.6	Very high	94 Å²	94	58.4 Å²	58.4	61%	0.61	34%	0.339	S	S	*	.	S	Bend	cis	-67.4	146.7	1.3	28.9	-35.5	0	0	0	112.2	M67 N71	M67-P69 CarbonylContact O-C 3.58Å; P69-N71 PolarHBondContact O-N 3.31Å; P69-N71 PolarHBondContact O-ND2 3.18Å
70	P	97.9	Very high	96.7	Very high	16 Å²	16	59.5 Å²	59.5	10%	0.104	35%	0.352	C	S	.	.			trans	-56.6	129.1	-172.6	-32.1	42.4	0	0	0	113.7	M67 Y68 F75 Y388 Y417	M67-P70 WeakPolarHBondContact O-CA 3.33Å; Y68-P70 HydrophobicContact CD2-CG 4.27Å; P70-F75 HydrophobicContact CB-CB 4.14Å; P70-F75 HydrophobicContact CB-CD1 4.38Å; P70-F75 HydrophobicContact CB-CD2 3.53Å; P70-F75 HydrophobicContact CB-CE2 3.98Å; P70-F75 HydrophobicContact CB-CG 3.75Å; P70-F75 WeakPolarHBondContact O-CD1 3.43Å; P70-Y388 HydrophobicContact CB-CE1 4.08Å; P70-Y388 WeakPolarHBondContact CB-OH 3.4Å; P70-Y388 HydrophobicContact CG-CD1 4.31Å; P70-Y388 HydrophobicContact CG-CE1 3.69Å; P70-Y388 HydrophobicContact CG-CE2 3.94Å; P70-Y388 VanDerWaalsContact CG-CZ 3.47Å; P70-Y417 HydrophobicContact CB-CD1 4.01Å; P70-Y417 HydrophobicContact CB-CE1 4.23Å; P70-Y417 HydrophobicContact CB-CG 4.23Å; P70-Y417 HydrophobicContact CG-CD1 3.64Å; P70-Y417 HydrophobicContact CG-CD2 3.78Å; P70-Y417 HydrophobicContact CG-CE1 3.56Å; P70-Y417 HydrophobicContact CG-CE2 3.73Å; P70-Y417 HydrophobicContact CG-CG 3.73Å
71	N	96.6	Very high	97.4	Very high	88 Å²	88	61.5 Å²	61.5	47%	0.471	35%	0.351	S	S	.	.			trans	-153.5	177.4	178.2	65.8	69.2	0	0	0	110.8	P69	P69-N71 PolarHBondContact O-N 3.31Å; P69-N71 PolarHBondContact O-ND2 3.18Å
72	G	96.8	Very high	97.7	Very high	42 Å²	42	60.3 Å²	60.3	43%	0.433	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	69.9	-165.3	173.8	0	0	0	0	0	113.9	T74 F75	G72-T74 PolarHBondContact O-N 3.02Å; G72-F75 PolarHBondContact O-N 3.48Å; G72-F75 VanDerWaalsContact O-N 3.16Å
73	P	96.9	Very high	97.9	Very high	91 Å²	91	58.4 Å²	58.4	59%	0.591	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-74.5	-10.2	-165.3	30.8	-37.6	0	0	0	114.4	P422	P73-P422 HydrophobicContact CB-CB 4.41Å; P73-P422 HydrophobicContact CB-CG 4.06Å; P73-P422 HydrophobicContact CG-CG 4.18Å
74	T	97.8	Very high	97.9	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.012	33%	0.332	C	S	.	.	G	3₁₀ helix	trans	-93.2	-2.8	175.8	56.6	0	0	0	0	113.5	M67 G72 L397 R419 D420 P422	M67-T74 VanDerWaalsContact CE-OG1 3.29Å; M67-T74 WeakPolarHBondContact CE-OG1 3.49Å; G72-T74 PolarHBondContact O-N 3.02Å; T74-L397 HydrophobicContact CG2-CD2 3.55Å; T74-R419 PolarHBondContact O-NE 3.03Å; T74-D420 VanDerWaalsContact CA-O 3.24Å; T74-D420 WeakPolarHBondContact CA-O 3.28Å; T74-D420 PolarHBondContact O-N 2.98Å; T74-P422 HydrophobicContact CG2-CG 4.37Å
75	F	98.4	Very high	98	Very high	57 Å²	57	56.5 Å²	56.5	25%	0.25	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	104.3	177.4	173.1	-120.9	0	0	0	108.6	P70 G72 G77 Y417	P70-F75 HydrophobicContact CB-CB 4.14Å; P70-F75 HydrophobicContact CB-CD1 4.38Å; P70-F75 HydrophobicContact CB-CD2 3.53Å; P70-F75 HydrophobicContact CB-CE2 3.98Å; P70-F75 HydrophobicContact CB-CG 3.75Å; P70-F75 WeakPolarHBondContact O-CD1 3.43Å; G72-F75 PolarHBondContact O-N 3.48Å; G72-F75 VanDerWaalsContact O-N 3.16Å; F75-G77 WeakPolarHBondContact CE2-O 3.31Å; F75-G77 VanDerWaalsContact CZ-C 3.41Å; F75-Y417 HydrophobicContact CD2-CD1 4.31Å; F75-Y417 AromaticContact CE2-CD1 3.69Å; F75-Y417 HydrophobicContact CE2-CD1 3.69Å; F75-Y417 HydrophobicContact CE2-CG 4.33Å; F75-Y417 HydrophobicContact CZ-CD1 4.49Å
76	K	97.8	Very high	98.1	Very high	97 Å²	97	51.7 Å²	51.7	42%	0.422	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-31.8	-179.8	-167.9	170.1	-172.6	172.4	0	111.7	E213 K216 I418 D420	K76-E213 IonicContact NZ-OE2 3.11Å; K76-E213 PolarHBondContact NZ-OE2 3.15Å; K76-K216 HydrophobicContact CD-CB 4.41Å; K76-K216 HydrophobicContact CD-CD 3.75Å; K76-I418 HydrophobicContact CB-CB 4.13Å; K76-I418 HydrophobicContact CB-CG2 3.85Å; K76-I418 WeakPolarHBondContact CB-O 3.49Å; K76-I418 HydrophobicContact CD-CG2 3.94Å; K76-I418 HydrophobicContact CG-CG2 4.19Å; K76-I418 PolarHBondContact N-O 3.11Å; K76-D420 HydrophobicContact CB-CB 4.38Å
77	G	98	Very high	98.1	Very high	11 Å²	11	53.1 Å²	53.1	11%	0.113	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.4	169.7	175.9	0	0	0	0	0	114	F75 I418	F75-G77 WeakPolarHBondContact CE2-O 3.31Å; F75-G77 VanDerWaalsContact CZ-C 3.41Å; G77-I418 PolarHBondContact O-N 2.81Å
78	P	98.1	Very high	98.2	Very high	99 Å²	99	56.1 Å²	56.1	64%	0.643	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70	161.2	174.7	32.7	-35.7	0	0	0	111
79	V	98.6	Very high	98.2	Very high	13 Å²	13	57.5 Å²	57.5	8%	0.079	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-101	129.7	176.4	178.8	0	0	0	0	110.2	V219 V220 N221 S416 I418	V79-V219 HydrophobicContact CG1-CG1 3.92Å; V79-V219 HydrophobicContact CG2-CG1 3.71Å; V79-V220 VanDerWaalsContact CG1-CA 3.44Å; V79-N221 HydrophobicContact CG1-CB 4.22Å; V79-N221 VanDerWaalsContact CG1-N 3.31Å; V79-S416 VanDerWaalsContact CB-OG 3.24Å; V79-S416 WeakPolarHBondContact CB-OG 3Å; V79-S416 WeakPolarHBondContact CG2-O 3.46Å; V79-S416 WeakPolarHBondContact CG2-OG 3.42Å; V79-I418 HydrophobicContact CG2-CG1 3.73Å
80	S	98.3	Very high	98.2	Very high	63 Å²	63	54.4 Å²	54.4	44%	0.441	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	144.4	-179.4	-62	0	0	0	0	112	N221	S80-N221 PolarHBondContact O-N 2.92Å
81	W	98.8	Very high	98.2	Very high	120 Å²	120	55.3 Å²	55.3	46%	0.455	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	137.1	178.9	-80.1	86.7	0	0	0	112.2	N221 D223 K233 L414	W81-N221 CarbonylContact C-O 3.46Å; W81-N221 WeakPolarHBondContact CA-O 3.3Å; W81-N221 HydrophobicContact CD2-CB 3.35Å; W81-N221 VanDerWaalsContact CE2-CB 3.45Å; W81-N221 HydrophobicContact CE3-CB 3.58Å; W81-N221 HydrophobicContact CG-CB 3.81Å; W81-N221 HydrophobicContact CH2-CB 3.95Å; W81-N221 HydrophobicContact CZ2-CB 3.77Å; W81-N221 HydrophobicContact CZ3-CB 3.87Å; W81-N221 PolarHBondContact NE1-ND2 3.27Å; W81-D223 HydrophobicContact CE3-CB 4.18Å; W81-D223 HydrophobicContact CZ3-CB 4.17Å; W81-K233 HydrophobicContact CH2-CB 4.01Å; W81-K233 HydrophobicContact CH2-CD 3.77Å; W81-K233 HydrophobicContact CH2-CG 4.18Å; W81-K233 HydrophobicContact CZ3-CB 4.08Å; W81-K233 HydrophobicContact CZ3-CD 4.06Å; W81-K233 HydrophobicContact CZ3-CG 4.08Å; W81-L414 HydrophobicContact CH2-CB 4.41Å; W81-L414 HydrophobicContact CH2-CD2 3.87Å; W81-L414 HydrophobicContact CZ2-CD2 3.81Å
82	Y	98.8	Very high	98.3	Very high	42 Å²	42	56.7 Å²	56.7	17%	0.165	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	144	174.5	-67.8	-95.5	0	0	0	110.1	L97 D100 V220 N221 L222 D223	Y82-L97 HydrophobicContact CD1-CB 4.04Å; Y82-L97 HydrophobicContact CD1-CD1 3.69Å; Y82-L97 HydrophobicContact CD1-CG 4.46Å; Y82-L97 HydrophobicContact CD2-CD1 3.57Å; Y82-L97 HydrophobicContact CE1-CB 4.5Å; Y82-L97 HydrophobicContact CE1-CD1 3.7Å; Y82-L97 HydrophobicContact CE2-CD1 3.58Å; Y82-L97 HydrophobicContact CG-CB 4.36Å; Y82-L97 HydrophobicContact CG-CD1 3.62Å; Y82-L97 HydrophobicContact CG-CG 4.47Å; Y82-D100 HydrophobicContact CE1-CB 4.18Å; Y82-D100 WeakPolarHBondContact CE1-OD2 3.43Å; Y82-V220 HydrophobicContact CD2-CB 3.99Å; Y82-V220 HydrophobicContact CD2-CG1 3.87Å; Y82-V220 HydrophobicContact CE2-CB 4.25Å; Y82-V220 HydrophobicContact CE2-CG1 3.63Å; Y82-N221 PolarHBondContact N-O 3.33Å; Y82-L222 CarbonylContact O-C 3.55Å; Y82-L222 WeakPolarHBondContact O-CA 3.5Å; Y82-D223 PolarHBondContact O-N 3.16Å
83	T	98.8	Very high	98.4	Very high	81 Å²	81	56.3 Å²	56.3	50%	0.497	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129.8	172	-62.6	0	0	0	0	109.5	D223 R225	T83-D223 WeakPolarHBondContact CA-O 3.19Å; T83-R225 HydrophobicContact CG2-CB 4.29Å; T83-R225 HydrophobicContact CG2-CG 4.02Å
84	I	98.8	Very high	98.5	Very high	2 Å²	2	52 Å²	52	1%	0.01	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	112.1	169.1	-54	-62.3	0	0	0	108.4	L86 R93 W94 L222 D223 F224 R225	I84-L86 PolarHBondContact O-N 3.16Å; I84-R93 HydrophobicContact CG2-CB 3.89Å; I84-W94 HydrophobicContact CD1-CD2 4.19Å; I84-W94 HydrophobicContact CD1-CE3 3.72Å; I84-W94 HydrophobicContact CD1-CZ3 4Å; I84-W94 HydrophobicContact CG1-CZ3 4.4Å; I84-L222 HydrophobicContact CD1-CD2 4.26Å; I84-L222 HydrophobicContact CG1-CB 4.38Å; I84-L222 HydrophobicContact CG1-CD2 4.08Å; I84-D223 PolarHBondContact N-O 3.1Å; I84-F224 HydrophobicContact CB-CD1 3.52Å; I84-F224 HydrophobicContact CB-CE1 3.41Å; I84-F224 VanDerWaalsContact CB-CE1 3.41Å; I84-F224 HydrophobicContact CB-CG 4.15Å; I84-F224 HydrophobicContact CB-CZ 4Å; I84-F224 HydrophobicContact CG1-CD1 4.24Å; I84-F224 HydrophobicContact CG1-CE1 3.74Å; I84-F224 HydrophobicContact CG1-CE2 4.32Å; I84-F224 HydrophobicContact CG1-CZ 3.79Å; I84-F224 HydrophobicContact CG2-CD1 3.62Å; I84-F224 HydrophobicContact CG2-CE1 3.29Å; I84-F224 HydrophobicContact CG2-CZ 4.18Å; I84-F224 WeakPolarHBondContact O-CA 3.48Å; I84-R225 PolarHBondContact O-N 2.71Å
85	N	98.7	Very high	98.5	Very high	55 Å²	55	54.4 Å²	54.4	29%	0.294	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	106.9	-177.5	-175.5	1.8	0	0	0	111.1	D87 L88	N85-D87 PolarHBondContact O-N 3.44Å; N85-D87 VanDerWaalsContact OD1-CB 3.27Å; N85-D87 WeakPolarHBondContact OD1-CB 3.32Å; N85-D87 PolarHBondContact OD1-N 3.48Å; N85-D87 PolarHBondContact OD1-OD2 3.15Å; N85-L88 HydrophobicContact CB-CD1 4.06Å; N85-L88 HydrophobicContact CB-CG 4.06Å; N85-L88 WeakPolarHBondContact O-CB 3.16Å; N85-L88 PolarHBondContact O-N 3.44Å
86	L	98.7	Very high	98.5	Very high	12 Å²	12	55.1 Å²	55.1	6%	0.063	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-16.5	178.9	-63.8	174.9	0	0	0	113.5	I84 L88 R93 F224 R225 K226 V231 E291	I84-L86 PolarHBondContact O-N 3.16Å; L86-L88 PolarHBondContact O-N 3.4Å; L86-R93 PolarHBondContact O-NH2 2.89Å; L86-F224 HydrophobicContact CD1-CB 4.31Å; L86-F224 HydrophobicContact CD2-CD1 3.85Å; L86-F224 HydrophobicContact CG-CD1 4.33Å; L86-R225 VanDerWaalsContact CB-O 3.26Å; L86-R225 WeakPolarHBondContact CB-O 3.15Å; L86-R225 PolarHBondContact N-O 3.14Å; L86-K226 HydrophobicContact CB-CB 4.18Å; L86-K226 HydrophobicContact CB-CG 4.41Å; L86-K226 HydrophobicContact CD1-CB 4.29Å; L86-V231 HydrophobicContact CD1-CB 4.27Å; L86-V231 HydrophobicContact CD1-CG2 3.9Å; L86-E291 HydrophobicContact CD1-CG 4.24Å
87	D	98.6	Very high	98.5	Very high	72 Å²	72	50.6 Å²	50.6	39%	0.385	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-17	174.7	-53.7	-40.3	0	0	0	111.9	N85 K226 N227	N85-D87 PolarHBondContact O-N 3.44Å; N85-D87 VanDerWaalsContact OD1-CB 3.27Å; N85-D87 WeakPolarHBondContact OD1-CB 3.32Å; N85-D87 PolarHBondContact OD1-N 3.48Å; N85-D87 PolarHBondContact OD1-OD2 3.15Å; D87-K226 WeakPolarHBondContact OD1-CG 3.47Å; D87-N227 VanDerWaalsContact CG-N 3.34Å; D87-N227 PolarHBondContact OD1-N 3.35Å; D87-N227 VanDerWaalsContact OD1-N 3.15Å; D87-N227 WeakPolarHBondContact OD2-CA 3.35Å; D87-N227 PolarHBondContact OD2-N 2.92Å
88	L	98.7	Very high	98.6	Very high	72 Å²	72	50.1 Å²	50.1	38%	0.377	28%	0.282	S	S	.	.	S	Bend	trans	-76.3	151.7	172.9	-64.9	177.4	0	0	0	111.3	N85 L86 R93	N85-L88 HydrophobicContact CB-CD1 4.06Å; N85-L88 HydrophobicContact CB-CG 4.06Å; N85-L88 WeakPolarHBondContact O-CB 3.16Å; N85-L88 PolarHBondContact O-N 3.44Å; L86-L88 PolarHBondContact O-N 3.4Å; L88-R93 HydrophobicContact CB-CG 4.17Å; L88-R93 PolarHBondContact O-NE 2.95Å
89	P	98.6	Very high	98.6	Very high	78 Å²	78	49.3 Å²	49.3	51%	0.506	28%	0.275	S	S	.	.			trans	-51.3	138.3	165.5	-24.3	33.7	0	0	0	110.5	S91 K92 R93	P89-S91 VanDerWaalsContact C-N 3.26Å; P89-S91 PolarHBondContact O-N 2.88Å; P89-S91 VanDerWaalsContact O-N 3.11Å; P89-K92 PolarHBondContact O-N 3.16Å; P89-R93 PolarHBondContact O-N 3.33Å
90	P	98.6	Very high	98.6	Very high	30 Å²	30	53.5 Å²	53.5	20%	0.195	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-43.5	-47.2	-178.7	-35.1	38.6	0	0	0	114.7	K92 R93 P143 E146 E147	P90-K92 PolarHBondContact O-N 3.4Å; P90-R93 PolarHBondContact O-N 2.9Å; P90-P143 HydrophobicContact CB-CB 3.93Å; P90-P143 HydrophobicContact CG-CB 3.83Å; P90-E146 HydrophobicContact CB-CB 3.66Å; P90-E147 HydrophobicContact CB-CG 3.96Å; P90-E147 WeakPolarHBondContact O-CG 3.43Å
91	S	98.3	Very high	98.6	Very high	34 Å²	34	51.9 Å²	51.9	24%	0.238	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-63.4	-9.7	-180	59.7	0	0	0	0	115.7	P89 E146 G150	P89-S91 VanDerWaalsContact C-N 3.26Å; P89-S91 PolarHBondContact O-N 2.88Å; P89-S91 VanDerWaalsContact O-N 3.11Å; S91-E146 VanDerWaalsContact CA-O 3.27Å; S91-E146 WeakPolarHBondContact CA-O 3.2Å; S91-G150 WeakPolarHBondContact O-CA 3.33Å
92	K	98.6	Very high	98.5	Very high	117 Å²	117	50.7 Å²	50.7	51%	0.509	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-109.6	-13.6	178.4	-60.8	-57.1	-178.3	-168.8	0	114	P89 P90 W94 T95	P89-K92 PolarHBondContact O-N 3.16Å; P90-K92 PolarHBondContact O-N 3.4Å; K92-W94 VanDerWaalsContact C-N 3.27Å; K92-W94 PolarHBondContact O-N 3.27Å; K92-T95 WeakPolarHBondContact CA-OG1 3.47Å; K92-T95 WeakPolarHBondContact O-CB 3.32Å; K92-T95 PolarHBondContact O-N 2.68Å; K92-T95 PolarHBondContact O-OG1 2.87Å
93	R	98.8	Very high	98.5	Very high	34 Å²	34	54.2 Å²	54.2	13%	0.128	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-34.9	-171.7	-69.6	179.4	-178.5	169.5	-8.6	114.1	I84 L86 L88 P89 P90 E147	I84-R93 HydrophobicContact CG2-CB 3.89Å; L86-R93 PolarHBondContact O-NH2 2.89Å; L88-R93 HydrophobicContact CB-CG 4.17Å; L88-R93 PolarHBondContact O-NE 2.95Å; P89-R93 PolarHBondContact O-N 3.33Å; P90-R93 PolarHBondContact O-N 2.9Å; R93-E147 WeakPolarHBondContact CD-OE1 3.11Å; R93-E147 IonicContact CZ-OE1 3.68Å; R93-E147 IonicContact NE-OE1 3.55Å; R93-E147 IonicContact NH1-OE1 3.72Å; R93-E147 PolarHBondContact NH1-OE1 2.88Å
94	W	98.7	Very high	98.4	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.008	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	-5.6	-174.5	-64.5	97.9	0	0	0	114.1	I84 K92 A96 L97 I98 E147 I151 L222 F224 Y240 V241 M243	I84-W94 HydrophobicContact CD1-CD2 4.19Å; I84-W94 HydrophobicContact CD1-CE3 3.72Å; I84-W94 HydrophobicContact CD1-CZ3 4Å; I84-W94 HydrophobicContact CG1-CZ3 4.4Å; K92-W94 VanDerWaalsContact C-N 3.27Å; K92-W94 PolarHBondContact O-N 3.27Å; W94-A96 PolarHBondContact O-N 3.11Å; W94-L97 HydrophobicContact CE3-CD2 3.67Å; W94-L97 HydrophobicContact CZ3-CD2 3.69Å; W94-L97 PolarHBondContact O-N 3.34Å; W94-I98 HydrophobicContact CB-CG1 4.04Å; W94-I98 VanDerWaalsContact O-CG1 3.3Å; W94-I98 WeakPolarHBondContact O-CG1 3.21Å; W94-I98 PolarHBondContact O-N 2.87Å; W94-E147 VanDerWaalsContact NE1-CD 3.26Å; W94-E147 PolarHBondContact NE1-OE2 3.35Å; W94-I151 HydrophobicContact CB-CD1 4.33Å; W94-I151 HydrophobicContact CB-CG1 3.73Å; W94-I151 HydrophobicContact CD2-CD1 4.4Å; W94-I151 HydrophobicContact CG-CD1 4.07Å; W94-I151 HydrophobicContact CG-CG1 4Å; W94-L222 HydrophobicContact CH2-CD1 3.46Å; W94-L222 VanDerWaalsContact CH2-CD1 3.46Å; W94-L222 HydrophobicContact CZ3-CD1 3.62Å; W94-L222 HydrophobicContact CZ3-CD2 4.17Å; W94-F224 AromaticContact CH2-CZ 3.96Å; W94-F224 HydrophobicContact CH2-CZ 3.96Å; W94-F224 HydrophobicContact CZ2-CE1 4.4Å; W94-F224 HydrophobicContact CZ2-CZ 4Å; W94-Y240 WeakPolarHBondContact CH2-O 3.49Å; W94-V241 HydrophobicContact CZ2-CB 4.4Å; W94-V241 HydrophobicContact CZ2-CG1 4.34Å; W94-M243 HydrophobicContact CH2-CE 4.06Å; W94-M243 HydrophobicContact CZ2-CE 4.27Å
95	T	98.4	Very high	98.4	Very high	51 Å²	51	53.5 Å²	53.5	31%	0.313	30%	0.297	S	S	.	.	H	α-helix	trans	-53.8	-49.1	-168.6	-48.5	0	0	0	0	113.2	K92 I98 T99 A154	K92-T95 WeakPolarHBondContact CA-OG1 3.47Å; K92-T95 WeakPolarHBondContact O-CB 3.32Å; K92-T95 PolarHBondContact O-N 2.68Å; K92-T95 PolarHBondContact O-OG1 2.87Å; T95-I98 PolarHBondContact O-N 2.82Å; T95-T99 WeakPolarHBondContact O-CB 3.35Å; T95-T99 PolarHBondContact O-N 2.81Å; T95-T99 PolarHBondContact O-OG1 3.09Å; T95-A154 HydrophobicContact CG2-CB 4.3Å
96	A	98.3	Very high	98.3	Very high	72 Å²	72	53 Å²	53	60%	0.595	30%	0.301	S	S	*	.	H	α-helix	trans	-63.5	-50.2	-177.6	0	0	0	0	0	111.6	W94 I98 T99 D100	W94-A96 PolarHBondContact O-N 3.11Å; A96-I98 VanDerWaalsContact C-N 3.34Å; A96-I98 PolarHBondContact O-N 2.67Å; A96-T99 PolarHBondContact O-N 2.64Å; A96-D100 PolarHBondContact O-N 3.3Å; A96-D100 VanDerWaalsContact O-N 3.16Å
97	L	98.6	Very high	98.2	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.016	31%	0.31	C	S	.	.	H	α-helix	trans	-58.1	-46.7	177.6	169.9	62.7	0	0	0	111.9	Y82 W94 T99 D100 K101 V220 L222 A238	Y82-L97 HydrophobicContact CD1-CB 4.04Å; Y82-L97 HydrophobicContact CD1-CD1 3.69Å; Y82-L97 HydrophobicContact CD1-CG 4.46Å; Y82-L97 HydrophobicContact CD2-CD1 3.57Å; Y82-L97 HydrophobicContact CE1-CB 4.5Å; Y82-L97 HydrophobicContact CE1-CD1 3.7Å; Y82-L97 HydrophobicContact CE2-CD1 3.58Å; Y82-L97 HydrophobicContact CG-CB 4.36Å; Y82-L97 HydrophobicContact CG-CD1 3.62Å; Y82-L97 HydrophobicContact CG-CG 4.47Å; W94-L97 HydrophobicContact CE3-CD2 3.67Å; W94-L97 HydrophobicContact CZ3-CD2 3.69Å; W94-L97 PolarHBondContact O-N 3.34Å; L97-T99 VanDerWaalsContact C-N 3.31Å; L97-T99 PolarHBondContact O-N 2.82Å; L97-D100 PolarHBondContact O-N 3.25Å; L97-K101 HydrophobicContact CD1-CG 3.82Å; L97-K101 WeakPolarHBondContact O-CB 3.12Å; L97-K101 PolarHBondContact O-N 3.21Å; L97-V220 HydrophobicContact CD1-CB 4.48Å; L97-V220 HydrophobicContact CD1-CG1 3.9Å; L97-V220 HydrophobicContact CD1-CG2 4.38Å; L97-V220 HydrophobicContact CD2-CG2 4.1Å; L97-L222 HydrophobicContact CD2-CD2 3.9Å; L97-A238 HydrophobicContact CD1-CB 4.04Å; L97-A238 HydrophobicContact CD2-CB 3.97Å; L97-A238 HydrophobicContact CG-CB 4.01Å
98	I	98.6	Very high	98	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-69.6	-32.3	-176.6	-63.5	-57.6	0	0	0	111.6	W94 T95 A96 D100 K101 K102 L105 I151 A154 A238	W94-I98 HydrophobicContact CB-CG1 4.04Å; W94-I98 VanDerWaalsContact O-CG1 3.3Å; W94-I98 WeakPolarHBondContact O-CG1 3.21Å; W94-I98 PolarHBondContact O-N 2.87Å; T95-I98 PolarHBondContact O-N 2.82Å; A96-I98 VanDerWaalsContact C-N 3.34Å; A96-I98 PolarHBondContact O-N 2.67Å; I98-D100 VanDerWaalsContact C-N 3.33Å; I98-K101 CarbonylContact O-C 3.35Å; I98-K101 PolarHBondContact O-N 3Å; I98-K102 VanDerWaalsContact O-CA 3.26Å; I98-K102 WeakPolarHBondContact O-CA 3.49Å; I98-K102 WeakPolarHBondContact O-CB 3.31Å; I98-K102 PolarHBondContact O-N 3.19Å; I98-L105 HydrophobicContact CD1-CD2 4.16Å; I98-L105 HydrophobicContact CG2-CD2 4.36Å; I98-I151 HydrophobicContact CD1-CG1 4.15Å; I98-I151 HydrophobicContact CD1-CG2 3.91Å; I98-I151 HydrophobicContact CG1-CB 4.33Å; I98-I151 HydrophobicContact CG1-CG1 3.91Å; I98-I151 HydrophobicContact CG1-CG2 4.1Å; I98-I151 HydrophobicContact CG2-CG2 4.48Å; I98-A154 HydrophobicContact CB-CB 4.09Å; I98-A154 HydrophobicContact CG2-CB 3.81Å; I98-A238 HydrophobicContact CD1-CB 4.47Å
99	T	98.1	Very high	97.8	Very high	82 Å²	82	47.1 Å²	47.1	50%	0.503	28%	0.275	S	S	.	.	H	α-helix	trans	-61.1	-45.6	172.9	-58.2	0	0	0	0	110.4	T95 A96 L97 K102	T95-T99 WeakPolarHBondContact O-CB 3.35Å; T95-T99 PolarHBondContact O-N 2.81Å; T95-T99 PolarHBondContact O-OG1 3.09Å; A96-T99 PolarHBondContact O-N 2.64Å; L97-T99 VanDerWaalsContact C-N 3.31Å; L97-T99 PolarHBondContact O-N 2.82Å; T99-K102 WeakPolarHBondContact O-CB 3.47Å
100	D	98.4	Very high	97.5	Very high	102 Å²	102	47.2 Å²	47.2	55%	0.545	27%	0.269	S	S	.	.	H	α-helix	trans	-68.5	-34.3	179.5	-72	4.1	0	0	0	113.1	Y82 A96 L97 I98	Y82-D100 HydrophobicContact CE1-CB 4.18Å; Y82-D100 WeakPolarHBondContact CE1-OD2 3.43Å; A96-D100 PolarHBondContact O-N 3.3Å; A96-D100 VanDerWaalsContact O-N 3.16Å; L97-D100 PolarHBondContact O-N 3.25Å; I98-D100 VanDerWaalsContact C-N 3.33Å
101	K	98.3	Very high	97.2	Very high	29 Å²	29	46.2 Å²	46.2	13%	0.126	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.3	15.2	-176.8	-65.3	-64.8	-176.3	174.3	0	114.1	L97 I98 T103 E104 L105 P217 L218 A238	L97-K101 HydrophobicContact CD1-CG 3.82Å; L97-K101 WeakPolarHBondContact O-CB 3.12Å; L97-K101 PolarHBondContact O-N 3.21Å; I98-K101 CarbonylContact O-C 3.35Å; I98-K101 PolarHBondContact O-N 3Å; K101-T103 PolarHBondContact O-N 2.92Å; K101-E104 WeakPolarHBondContact CA-OE2 3.42Å; K101-E104 PolarHBondContact O-N 3Å; K101-L105 WeakPolarHBondContact O-CB 3.35Å; K101-L105 PolarHBondContact O-N 3.48Å; K101-P217 PolarHBondContact NZ-O 3.25Å; K101-L218 HydrophobicContact CB-CD2 4.27Å; K101-A238 HydrophobicContact CB-CB 3.8Å; K101-A238 HydrophobicContact CG-CB 3.88Å
102	K	97.6	Very high	96.8	Very high	95 Å²	95	45.3 Å²	45.3	41%	0.413	26%	0.256	S	S	.	.	H	α-helix	trans	-58.1	-46	-172.1	177.5	167.7	173.2	149.3	0	112.4	I98 T99 L105 A106 S155	I98-K102 VanDerWaalsContact O-CA 3.26Å; I98-K102 WeakPolarHBondContact O-CA 3.49Å; I98-K102 WeakPolarHBondContact O-CB 3.31Å; I98-K102 PolarHBondContact O-N 3.19Å; T99-K102 WeakPolarHBondContact O-CB 3.47Å; K102-L105 PolarHBondContact O-N 2.93Å; K102-A106 WeakPolarHBondContact O-CB 3.48Å; K102-A106 PolarHBondContact O-N 3.02Å; K102-S155 WeakPolarHBondContact CE-O 3.1Å; K102-S155 PolarHBondContact NZ-O 2.86Å
103	T	98.1	Very high	96.2	Very high	115 Å²	115	43 Å²	43	71%	0.706	24%	0.243	S	C	*	.	H	α-helix	trans	-67.7	-43	-177.1	-59.4	0	0	0	0	111.3	K101 G107	K101-T103 PolarHBondContact O-N 2.92Å; T103-G107 PolarHBondContact O-N 2.77Å
104	E	98.1	Very high	95.8	Very high	66 Å²	66	45.5 Å²	45.5	31%	0.308	26%	0.259	S	S	.	.	H	α-helix	trans	-64.7	-42.1	177.5	-65.2	85.8	162.9	0	0	111.3	K101 G107 M108 P217 L218	K101-E104 WeakPolarHBondContact CA-OE2 3.42Å; K101-E104 PolarHBondContact O-N 3Å; E104-G107 PolarHBondContact O-N 2.99Å; E104-M108 WeakPolarHBondContact O-CB 3.41Å; E104-M108 PolarHBondContact O-N 2.78Å; E104-P217 HydrophobicContact CB-CB 4.3Å; E104-P217 HydrophobicContact CG-CB 3.71Å; E104-L218 HydrophobicContact CB-CD2 3.67Å; E104-L218 HydrophobicContact CB-CG 4.12Å
105	L	97.4	Very high	95.1	Very high	3 Å²	3	46.9 Å²	46.9	2%	0.016	27%	0.267	C	S	.	.	H	α-helix	trans	-65.3	-47.5	178.6	179.9	59.8	0	0	0	110.6	I98 K101 K102 G107 M108 I109 I151 F165 L218	I98-L105 HydrophobicContact CD1-CD2 4.16Å; I98-L105 HydrophobicContact CG2-CD2 4.36Å; K101-L105 WeakPolarHBondContact O-CB 3.35Å; K101-L105 PolarHBondContact O-N 3.48Å; K102-L105 PolarHBondContact O-N 2.93Å; L105-G107 VanDerWaalsContact C-N 3.28Å; L105-G107 PolarHBondContact O-N 2.77Å; L105-M108 WeakPolarHBondContact O-CB 3.43Å; L105-M108 PolarHBondContact O-N 2.76Å; L105-M108 VanDerWaalsContact O-N 3.15Å; L105-I109 HydrophobicContact CD1-CG1 4.28Å; L105-I109 VanDerWaalsContact O-CG1 3.31Å; L105-I109 WeakPolarHBondContact O-CG1 3.45Å; L105-I109 PolarHBondContact O-N 3.02Å; L105-I151 HydrophobicContact CD2-CG2 4.07Å; L105-F165 HydrophobicContact CD1-CD1 4.46Å; L105-F165 HydrophobicContact CD1-CE1 4.27Å; L105-L218 HydrophobicContact CB-CD2 4.12Å
106	A	96.6	Very high	94.3	Very high	45 Å²	45	45.4 Å²	45.4	37%	0.372	26%	0.26	S	S	.	.	H	α-helix	trans	-58.4	-41.3	175	0	0	0	0	0	111.8	K102 M108 I109 Q110	K102-A106 WeakPolarHBondContact O-CB 3.48Å; K102-A106 PolarHBondContact O-N 3.02Å; A106-M108 PolarHBondContact O-N 2.81Å; A106-I109 PolarHBondContact O-N 2.67Å; A106-Q110 WeakPolarHBondContact O-CB 3.32Å; A106-Q110 PolarHBondContact O-N 3.35Å
107	G	96.8	Very high	93.5	Very high	24 Å²	24	44.7 Å²	44.7	25%	0.247	25%	0.246	C	C	.	.	H	α-helix	trans	-65.9	-33.7	176.6	0	0	0	0	0	113.9	T103 E104 L105 A111	T103-G107 PolarHBondContact O-N 2.77Å; E104-G107 PolarHBondContact O-N 2.99Å; L105-G107 VanDerWaalsContact C-N 3.28Å; L105-G107 PolarHBondContact O-N 2.77Å; G107-A111 PolarHBondContact O-N 3.06Å; G107-A111 VanDerWaalsContact O-N 3.16Å
108	M	95.1	Very high	92.7	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.01	28%	0.276	C	S	.	.	H	α-helix	trans	-69.3	-46.2	173.6	173.3	56.1	-167.8	0	0	111.4	E104 L105 A106 Q110 A111 I112 F165 I211 K214 L215 L218	E104-M108 WeakPolarHBondContact O-CB 3.41Å; E104-M108 PolarHBondContact O-N 2.78Å; L105-M108 WeakPolarHBondContact O-CB 3.43Å; L105-M108 PolarHBondContact O-N 2.76Å; L105-M108 VanDerWaalsContact O-N 3.15Å; A106-M108 PolarHBondContact O-N 2.81Å; M108-Q110 VanDerWaalsContact C-N 3.32Å; M108-Q110 PolarHBondContact O-N 3.05Å; M108-A111 WeakPolarHBondContact O-CB 3.46Å; M108-A111 PolarHBondContact O-N 3.25Å; M108-A111 VanDerWaalsContact O-N 3.16Å; M108-I112 HydrophobicContact CE-CD1 3.51Å; M108-I112 HydrophobicContact CE-CG1 3.85Å; M108-I112 PolarHBondContact O-N 2.64Å; M108-F165 HydrophobicContact CE-CD2 4.15Å; M108-F165 HydrophobicContact CE-CE2 3.73Å; M108-F165 HydrophobicContact CG-CD2 4.38Å; M108-F165 HydrophobicContact CG-CE2 3.79Å; M108-F165 HydrophobicContact CG-CZ 4.46Å; M108-I211 HydrophobicContact CE-CD1 3.91Å; M108-I211 HydrophobicContact CE-CG2 3.56Å; M108-I211 HydrophobicContact SD-CD1 3.99Å; M108-I211 HydrophobicContact SD-CG2 4.28Å; M108-K214 HydrophobicContact CB-CB 4.4Å; M108-K214 HydrophobicContact SD-CB 3.67Å; M108-L215 HydrophobicContact CE-CD2 3.84Å; M108-L215 HydrophobicContact CE-CG 4.19Å; M108-L215 HydrophobicContact CG-CD2 4.22Å; M108-L215 HydrophobicContact SD-CD2 3.97Å; M108-L215 HydrophobicContact SD-CG 4.25Å; M108-L218 HydrophobicContact CB-CD1 3.68Å; M108-L218 HydrophobicContact CG-CD1 3.89Å
109	I	93.1	Very high	91.5	Very high	6 Å²	6	55.7 Å²	55.7	3%	0.031	31%	0.309	C	S	.	.	H	α-helix	trans	-63.3	-39.9	177.4	-63.8	-67.3	0	0	0	111.1	L105 A106 A111 I112 R113 V157 E161 F165	L105-I109 HydrophobicContact CD1-CG1 4.28Å; L105-I109 VanDerWaalsContact O-CG1 3.31Å; L105-I109 WeakPolarHBondContact O-CG1 3.45Å; L105-I109 PolarHBondContact O-N 3.02Å; A106-I109 PolarHBondContact O-N 2.67Å; I109-A111 VanDerWaalsContact C-N 3.33Å; I109-A111 PolarHBondContact O-N 3.43Å; I109-I112 HydrophobicContact CD1-CD1 4.45Å; I109-I112 WeakPolarHBondContact O-CB 3.33Å; I109-I112 PolarHBondContact O-N 3.17Å; I109-R113 WeakPolarHBondContact O-CG 3.45Å; I109-R113 PolarHBondContact O-N 2.73Å; I109-V157 HydrophobicContact CB-CG1 4.43Å; I109-V157 HydrophobicContact CD1-CG1 4.45Å; I109-V157 HydrophobicContact CG1-CG1 3.99Å; I109-V157 HydrophobicContact CG1-CG2 4.45Å; I109-V157 HydrophobicContact CG2-CG1 3.99Å; I109-E161 HydrophobicContact CD1-CB 4.42Å; I109-E161 HydrophobicContact CG2-CB 3.96Å; I109-E161 HydrophobicContact CG2-CG 4.46Å; I109-E161 WeakPolarHBondContact CG2-OE2 3.47Å; I109-F165 HydrophobicContact CD1-CB 3.96Å; I109-F165 HydrophobicContact CD1-CG 4.36Å
110	Q	93.8	Very high	90.4	Very high	80 Å²	80	54.2 Å²	54.2	37%	0.374	30%	0.299	S	S	.	.	H	α-helix	trans	-61.9	-40.8	174.1	-170.7	59.1	48.9	0	0	111.9	A106 M108 I112 R113 D114	A106-Q110 WeakPolarHBondContact O-CB 3.32Å; A106-Q110 PolarHBondContact O-N 3.35Å; M108-Q110 VanDerWaalsContact C-N 3.32Å; M108-Q110 PolarHBondContact O-N 3.05Å; Q110-I112 VanDerWaalsContact C-N 3.3Å; Q110-I112 PolarHBondContact O-N 3.41Å; Q110-R113 WeakPolarHBondContact O-CB 3.25Å; Q110-R113 PolarHBondContact O-N 2.95Å; Q110-R113 VanDerWaalsContact O-N 3.16Å; Q110-D114 PolarHBondContact NE2-OD1 3.14Å; Q110-D114 PolarHBondContact O-N 3.42Å
111	A	92.1	Very high	89.4	Confident	8 Å²	8	54.8 Å²	54.8	7%	0.066	31%	0.308	C	S	.	.	H	α-helix	trans	-62.7	-37.7	175.7	0	0	0	0	0	112.3	G107 M108 I109 D114 L115 I210 I211 K214	G107-A111 PolarHBondContact O-N 3.06Å; G107-A111 VanDerWaalsContact O-N 3.16Å; M108-A111 WeakPolarHBondContact O-CB 3.46Å; M108-A111 PolarHBondContact O-N 3.25Å; M108-A111 VanDerWaalsContact O-N 3.16Å; I109-A111 VanDerWaalsContact C-N 3.33Å; I109-A111 PolarHBondContact O-N 3.43Å; A111-D114 PolarHBondContact O-N 3.35Å; A111-L115 WeakPolarHBondContact O-CG 3.34Å; A111-L115 PolarHBondContact O-N 2.78Å; A111-L115 VanDerWaalsContact O-N 3.1Å; A111-I210 HydrophobicContact CB-CG2 4.19Å; A111-I211 HydrophobicContact CB-CD1 3.92Å; A111-K214 HydrophobicContact CB-CG 4.08Å
112	I	88.8	Confident	88.4	Confident	16 Å²	16	57.7 Å²	57.7	8%	0.082	33%	0.332	C	S	.	.	H	α-helix	trans	-62.3	-46.4	172	-72.2	168.2	0	0	0	110.8	M108 I109 Q110 D114 L115 A116 L164 F165 F168 I211	M108-I112 HydrophobicContact CE-CD1 3.51Å; M108-I112 HydrophobicContact CE-CG1 3.85Å; M108-I112 PolarHBondContact O-N 2.64Å; I109-I112 HydrophobicContact CD1-CD1 4.45Å; I109-I112 WeakPolarHBondContact O-CB 3.33Å; I109-I112 PolarHBondContact O-N 3.17Å; Q110-I112 VanDerWaalsContact C-N 3.3Å; Q110-I112 PolarHBondContact O-N 3.41Å; I112-D114 VanDerWaalsContact C-N 3.34Å; I112-D114 PolarHBondContact O-N 3.34Å; I112-L115 PolarHBondContact O-N 2.75Å; I112-A116 WeakPolarHBondContact O-CB 3.35Å; I112-A116 PolarHBondContact O-N 3.16Å; I112-L164 HydrophobicContact CG2-CD2 4.1Å; I112-F165 HydrophobicContact CD1-CD2 4.08Å; I112-F168 HydrophobicContact CD1-CD2 3.91Å; I112-F168 HydrophobicContact CD1-CE2 3.85Å; I112-F168 HydrophobicContact CG1-CE2 4.13Å; I112-F168 HydrophobicContact CG2-CE2 3.62Å; I112-F168 HydrophobicContact CG2-CZ 4.17Å; I112-I211 HydrophobicContact CG1-CD1 4.08Å
113	R	87.5	Confident	87.3	Confident	67 Å²	67	54.2 Å²	54.2	25%	0.253	32%	0.324	S	S	.	.	H	α-helix	trans	-59.3	-45.4	177.5	-72.7	177.2	168.7	169.9	-1.5	111.8	I109 Q110 L115 A116 N117 I126 E161	I109-R113 WeakPolarHBondContact O-CG 3.45Å; I109-R113 PolarHBondContact O-N 2.73Å; Q110-R113 WeakPolarHBondContact O-CB 3.25Å; Q110-R113 PolarHBondContact O-N 2.95Å; Q110-R113 VanDerWaalsContact O-N 3.16Å; R113-L115 VanDerWaalsContact C-N 3.31Å; R113-L115 PolarHBondContact O-N 2.66Å; R113-A116 PolarHBondContact O-N 2.96Å; R113-N117 WeakPolarHBondContact O-CB 3.38Å; R113-N117 PolarHBondContact O-N 3.02Å; R113-N117 PolarHBondContact O-ND2 2.94Å; R113-I126 HydrophobicContact CB-CD1 3.91Å; R113-I126 HydrophobicContact CG-CD1 4.04Å; R113-E161 IonicContact CZ-OE1 3.9Å; R113-E161 IonicContact CZ-OE2 2.64Å; R113-E161 IonicContact NE-OE1 3.65Å; R113-E161 PolarHBondContact NE-OE1 3.31Å; R113-E161 IonicContact NE-OE2 2.82Å; R113-E161 PolarHBondContact NE-OE2 2.8Å; R113-E161 VanDerWaalsContact NE-OE2 3.11Å; R113-E161 IonicContact NH2-OE1 2.66Å; R113-E161 PolarHBondContact NH2-OE1 3.31Å; R113-E161 IonicContact NH2-OE2 3.82Å; R113-E161 PolarHBondContact NH2-OE2 3.03Å
114	D	89.1	Confident	86.2	Confident	87 Å²	87	57.5 Å²	57.5	47%	0.465	32%	0.323	S	S	.	.	H	α-helix	trans	-63	-40.7	-178.9	-65.3	-17.1	0	0	0	110.9	Q110 A111 I112 A118	Q110-D114 PolarHBondContact NE2-OD1 3.14Å; Q110-D114 PolarHBondContact O-N 3.42Å; A111-D114 PolarHBondContact O-N 3.35Å; I112-D114 VanDerWaalsContact C-N 3.34Å; I112-D114 PolarHBondContact O-N 3.34Å; D114-A118 WeakPolarHBondContact O-CB 3.44Å; D114-A118 PolarHBondContact O-N 2.88Å
115	L	83.8	Confident	85	Confident	31 Å²	31	57.9 Å²	57.9	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-63.1	-49.5	172.6	-73.6	164.7	0	0	0	111.5	A111 I112 R113 N117 A118 F119 L200 I211	A111-L115 WeakPolarHBondContact O-CG 3.34Å; A111-L115 PolarHBondContact O-N 2.78Å; A111-L115 VanDerWaalsContact O-N 3.1Å; I112-L115 PolarHBondContact O-N 2.75Å; R113-L115 VanDerWaalsContact C-N 3.31Å; R113-L115 PolarHBondContact O-N 2.66Å; L115-N117 VanDerWaalsContact C-N 3.3Å; L115-N117 PolarHBondContact O-N 3.34Å; L115-A118 WeakPolarHBondContact O-CB 3.16Å; L115-A118 PolarHBondContact O-N 3.49Å; L115-A118 VanDerWaalsContact O-N 3.12Å; L115-F119 WeakPolarHBondContact O-CD2 3.16Å; L115-F119 PolarHBondContact O-N 2.93Å; L115-F119 VanDerWaalsContact O-N 3.1Å; L115-L200 HydrophobicContact CD1-CB 4.29Å; L115-I211 HydrophobicContact CD1-CD1 3.64Å; L115-I211 HydrophobicContact CD1-CG1 3.61Å
116	A	81.9	Confident	84	Confident	20 Å²	20	59 Å²	59	17%	0.165	33%	0.333	C	S	.	.	H	α-helix	trans	-57.1	-43.2	178.3	0	0	0	0	0	112	I112 R113 F119 V120 L125 I126	I112-A116 WeakPolarHBondContact O-CB 3.35Å; I112-A116 PolarHBondContact O-N 3.16Å; R113-A116 PolarHBondContact O-N 2.96Å; A116-F119 PolarHBondContact O-N 2.92Å; A116-V120 PolarHBondContact O-N 3.31Å; A116-L125 HydrophobicContact CB-CD2 4.04Å; A116-I126 HydrophobicContact CB-CG1 4.26Å
117	N	82.6	Confident	82.9	Confident	57 Å²	57	62.6 Å²	62.6	31%	0.305	34%	0.342	S	S	.	.	H	α-helix	trans	-68.2	-34.5	176.6	-75.6	-30	0	0	0	112.7	R113 L115 F119 V120 P121 I126	R113-N117 WeakPolarHBondContact O-CB 3.38Å; R113-N117 PolarHBondContact O-N 3.02Å; R113-N117 PolarHBondContact O-ND2 2.94Å; L115-N117 VanDerWaalsContact C-N 3.3Å; L115-N117 PolarHBondContact O-N 3.34Å; N117-F119 VanDerWaalsContact C-N 3.3Å; N117-F119 PolarHBondContact O-N 3.25Å; N117-V120 CarbonylContact O-C 3.49Å; N117-V120 VanDerWaalsContact O-C 3.28Å; N117-P121 WeakPolarHBondContact O-CA 3.39Å; N117-P121 WeakPolarHBondContact O-CG 3.27Å; N117-P121 VanDerWaalsContact O-N 3.08Å; N117-I126 WeakPolarHBondContact ND2-CD1 3.48Å; N117-I126 WeakPolarHBondContact OD1-CD1 3.36Å
118	A	81.1	Confident	81.9	Confident	77 Å²	77	66.2 Å²	66.2	64%	0.636	36%	0.355	S	S	*	.	H	α-helix	trans	-64.8	-36.1	174.5	0	0	0	0	0	112	D114 L115	D114-A118 WeakPolarHBondContact O-CB 3.44Å; D114-A118 PolarHBondContact O-N 2.88Å; L115-A118 WeakPolarHBondContact O-CB 3.16Å; L115-A118 PolarHBondContact O-N 3.49Å; L115-A118 VanDerWaalsContact O-N 3.12Å
119	F	73.7	Confident	81	Confident	158 Å²	158	66.8 Å²	66.8	69%	0.693	36%	0.359	S	S	*	.	H	α-helix	trans	-80.3	-36.8	175.7	-73.8	-71.7	0	0	0	113.4	L115 A116 N117	L115-F119 WeakPolarHBondContact O-CD2 3.16Å; L115-F119 PolarHBondContact O-N 2.93Å; L115-F119 VanDerWaalsContact O-N 3.1Å; A116-F119 PolarHBondContact O-N 2.92Å; N117-F119 VanDerWaalsContact C-N 3.3Å; N117-F119 PolarHBondContact O-N 3.25Å
120	V	75.8	Confident	80.2	Confident	51 Å²	51	69.3 Å²	69.3	31%	0.309	37%	0.372	S	S	.	.			trans	-130.5	79.9	-178.5	-172	0	0	0	0	109.4	A116 N117 S122 G123 L125	A116-V120 PolarHBondContact O-N 3.31Å; N117-V120 CarbonylContact O-C 3.49Å; N117-V120 VanDerWaalsContact O-C 3.28Å; V120-S122 WeakPolarHBondContact CG1-OG 2.99Å; V120-S122 PolarHBondContact O-N 2.94Å; V120-G123 PolarHBondContact O-N 3.5Å; V120-L125 HydrophobicContact CB-CB 4.13Å; V120-L125 HydrophobicContact CG1-CB 4.26Å; V120-L125 HydrophobicContact CG2-CB 4.33Å; V120-L125 HydrophobicContact CG2-CD2 4.12Å
121	P	76.8	Confident	79.4	Confident	113 Å²	113	70.6 Å²	70.6	73%	0.734	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-10.3	-173.6	-24.1	34.4	0	0	0	115.3	N117 G123	N117-P121 WeakPolarHBondContact O-CA 3.39Å; N117-P121 WeakPolarHBondContact O-CG 3.27Å; N117-P121 VanDerWaalsContact O-N 3.08Å; P121-G123 PolarHBondContact O-N 3.15Å
122	S	77.6	Confident	78.6	Confident	90 Å²	90	73 Å²	73	63%	0.629	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.4	-8.9	176.4	61.9	0	0	0	0	113.6	V120 R124	V120-S122 WeakPolarHBondContact CG1-OG 2.99Å; V120-S122 PolarHBondContact O-N 2.94Å; S122-R124 PolarHBondContact O-N 3.33Å; S122-R124 WeakPolarHBondContact OG-CB 3.39Å
123	G	74.5	Confident	78.1	Confident	23 Å²	23	73.1 Å²	73.1	24%	0.237	40%	0.395	C	S	.	.	S	Bend	trans	71.6	-7.9	-176.3	0	0	0	0	0	114.2	V120 P121 L125 I126 E127	V120-G123 PolarHBondContact O-N 3.5Å; P121-G123 PolarHBondContact O-N 3.15Å; G123-L125 PolarHBondContact O-N 3.05Å; G123-L125 VanDerWaalsContact O-N 3.16Å; G123-I126 PolarHBondContact O-N 3.33Å; G123-E127 PolarHBondContact O-N 3.47Å; G123-E127 VanDerWaalsContact O-N 3.09Å
124	R	74	Confident	77.9	Confident	184 Å²	184	71.4 Å²	71.4	69%	0.694	39%	0.393	S	S	*	.	H	α-helix	trans	-61.5	-27.6	-174.7	-165.5	175.1	-176.6	167.6	2.7	113.6	S122 L128	S122-R124 PolarHBondContact O-N 3.33Å; S122-R124 WeakPolarHBondContact OG-CB 3.39Å; R124-L128 WeakPolarHBondContact O-CB 3.12Å; R124-L128 PolarHBondContact O-N 3.19Å
125	L	74.1	Confident	77.6	Confident	74 Å²	74	72.9 Å²	72.9	39%	0.387	40%	0.4	S	S	.	.	H	α-helix	trans	-68.3	-41.9	176	-178.3	60.4	0	0	0	111.3	A116 V120 G123 L128 V129	A116-L125 HydrophobicContact CB-CD2 4.04Å; V120-L125 HydrophobicContact CB-CB 4.13Å; V120-L125 HydrophobicContact CG1-CB 4.26Å; V120-L125 HydrophobicContact CG2-CB 4.33Å; V120-L125 HydrophobicContact CG2-CD2 4.12Å; G123-L125 PolarHBondContact O-N 3.05Å; G123-L125 VanDerWaalsContact O-N 3.16Å; L125-L128 PolarHBondContact O-N 3.1Å; L125-V129 WeakPolarHBondContact O-CG2 3.18Å; L125-V129 PolarHBondContact O-N 3.5Å
126	I	74.9	Confident	77.6	Confident	27 Å²	27	71.8 Å²	71.8	14%	0.138	39%	0.394	C	S	.	.	H	α-helix	trans	-69	-43.9	177.4	-61.3	179.7	0	0	0	109.8	R113 A116 N117 G123 L128 V129 D130	R113-I126 HydrophobicContact CB-CD1 3.91Å; R113-I126 HydrophobicContact CG-CD1 4.04Å; A116-I126 HydrophobicContact CB-CG1 4.26Å; N117-I126 WeakPolarHBondContact ND2-CD1 3.48Å; N117-I126 WeakPolarHBondContact OD1-CD1 3.36Å; G123-I126 PolarHBondContact O-N 3.33Å; I126-L128 VanDerWaalsContact C-N 3.3Å; I126-L128 PolarHBondContact O-N 3.44Å; I126-V129 WeakPolarHBondContact O-CA 3.33Å; I126-V129 WeakPolarHBondContact O-CB 3.45Å; I126-V129 PolarHBondContact O-N 3.35Å; I126-V129 VanDerWaalsContact O-N 3.08Å; I126-D130 PolarHBondContact O-N 3.3Å
127	E	74.9	Confident	78	Confident	119 Å²	119	70.9 Å²	70.9	56%	0.556	39%	0.387	S	S	*	.	H	α-helix	trans	-58.6	-42.4	175.8	-172.1	-175.2	-172.7	0	0	112	G123 V129 D130 I131	G123-E127 PolarHBondContact O-N 3.47Å; G123-E127 VanDerWaalsContact O-N 3.09Å; E127-V129 VanDerWaalsContact C-N 3.35Å; E127-D130 PolarHBondContact O-N 3.18Å; E127-I131 HydrophobicContact CG-CD1 3.96Å; E127-I131 WeakPolarHBondContact O-CG1 3.31Å; E127-I131 PolarHBondContact O-N 2.93Å; E127-I131 VanDerWaalsContact O-N 3.09Å
128	L	74.2	Confident	78.4	Confident	100 Å²	100	73.4 Å²	73.4	52%	0.524	40%	0.4	S	S	.	.	H	α-helix	trans	-62.4	-44	175	-167.6	90.5	0	0	0	111	R124 L125 I126 I131 T132	R124-L128 WeakPolarHBondContact O-CB 3.12Å; R124-L128 PolarHBondContact O-N 3.19Å; L125-L128 PolarHBondContact O-N 3.1Å; I126-L128 VanDerWaalsContact C-N 3.3Å; I126-L128 PolarHBondContact O-N 3.44Å; L128-I131 PolarHBondContact O-N 2.9Å; L128-T132 HydrophobicContact CD1-CG2 4.05Å; L128-T132 HydrophobicContact CG-CG2 3.97Å; L128-T132 VanDerWaalsContact O-CB 3.29Å; L128-T132 WeakPolarHBondContact O-CB 3.33Å; L128-T132 WeakPolarHBondContact O-CG2 2.84Å; L128-T132 PolarHBondContact O-N 3.31Å; L128-T132 PolarHBondContact O-OG1 2.84Å
129	V	76.5	Confident	78.9	Confident	15 Å²	15	71.3 Å²	71.3	9%	0.091	38%	0.379	C	S	.	.	H	α-helix	trans	-58.6	-48.2	176.5	159	0	0	0	0	111	L125 I126 E127 I131 L133 P134 E161 L164	L125-V129 WeakPolarHBondContact O-CG2 3.18Å; L125-V129 PolarHBondContact O-N 3.5Å; I126-V129 WeakPolarHBondContact O-CA 3.33Å; I126-V129 WeakPolarHBondContact O-CB 3.45Å; I126-V129 PolarHBondContact O-N 3.35Å; I126-V129 VanDerWaalsContact O-N 3.08Å; E127-V129 VanDerWaalsContact C-N 3.35Å; V129-I131 VanDerWaalsContact C-N 3.27Å; V129-I131 PolarHBondContact O-N 3.23Å; V129-L133 HydrophobicContact CB-CD1 4.35Å; V129-L133 HydrophobicContact CG1-CD1 3.98Å; V129-L133 HydrophobicContact CG2-CD1 4.05Å; V129-L133 WeakPolarHBondContact O-CB 3.34Å; V129-L133 PolarHBondContact O-N 2.62Å; V129-L133 VanDerWaalsContact O-N 3.08Å; V129-P134 WeakPolarHBondContact O-CD 3.44Å; V129-E161 HydrophobicContact CG1-CG 4.14Å; V129-L164 HydrophobicContact CG1-CB 4.39Å; V129-L164 HydrophobicContact CG1-CD2 4.18Å; V129-L164 HydrophobicContact CG2-CD2 4.1Å
130	D	77.6	Confident	79.8	Confident	59 Å²	59	64.4 Å²	64.4	32%	0.316	35%	0.35	S	S	.	.	H	α-helix	trans	-66.9	-26	-177.4	-74.1	-22.8	0	0	0	113.3	I126 E127 P134	I126-D130 PolarHBondContact O-N 3.3Å; E127-D130 PolarHBondContact O-N 3.18Å; D130-P134 WeakPolarHBondContact O-CD 3.33Å; D130-P134 WeakPolarHBondContact O-CG 3.45Å
131	I	76	Confident	80.6	Confident	107 Å²	107	64.6 Å²	64.6	55%	0.549	35%	0.352	S	S	.	.	H	α-helix	trans	-92.4	-43.4	178.5	-65.2	170.3	0	0	0	111.8	E127 L128 V129	E127-I131 HydrophobicContact CG-CD1 3.96Å; E127-I131 WeakPolarHBondContact O-CG1 3.31Å; E127-I131 PolarHBondContact O-N 2.93Å; E127-I131 VanDerWaalsContact O-N 3.09Å; L128-I131 PolarHBondContact O-N 2.9Å; V129-I131 VanDerWaalsContact C-N 3.27Å; V129-I131 PolarHBondContact O-N 3.23Å
132	T	75.3	Confident	81.5	Confident	58 Å²	58	64 Å²	64	36%	0.356	35%	0.351	S	S	.	.	H	α-helix	trans	-92	-39	-167.3	62.9	0	0	0	0	113.4	L128 L135	L128-T132 HydrophobicContact CD1-CG2 4.05Å; L128-T132 HydrophobicContact CG-CG2 3.97Å; L128-T132 VanDerWaalsContact O-CB 3.29Å; L128-T132 WeakPolarHBondContact O-CB 3.33Å; L128-T132 WeakPolarHBondContact O-CG2 2.84Å; L128-T132 PolarHBondContact O-N 3.31Å; L128-T132 PolarHBondContact O-OG1 2.84Å; T132-L135 WeakPolarHBondContact O-CB 3.25Å; T132-L135 PolarHBondContact O-N 3.04Å
133	L	79.3	Confident	82.5	Confident	19 Å²	19	60.8 Å²	60.8	10%	0.099	33%	0.328	C	S	.	.	H	α-helix	trans	-73.7	-27.7	-175.9	-63.2	-169.3	0	0	0	114.6	V129 L135 M136 A137 V163 L164 I167	V129-L133 HydrophobicContact CB-CD1 4.35Å; V129-L133 HydrophobicContact CG1-CD1 3.98Å; V129-L133 HydrophobicContact CG2-CD1 4.05Å; V129-L133 WeakPolarHBondContact O-CB 3.34Å; V129-L133 PolarHBondContact O-N 2.62Å; V129-L133 VanDerWaalsContact O-N 3.08Å; L133-L135 PolarHBondContact O-N 2.67Å; L133-M136 HydrophobicContact CD2-SD 4.25Å; L133-M136 WeakPolarHBondContact O-CA 3.47Å; L133-M136 WeakPolarHBondContact O-CB 3.15Å; L133-M136 PolarHBondContact O-N 3.05Å; L133-A137 PolarHBondContact O-N 2.91Å; L133-V163 HydrophobicContact CB-CB 4.16Å; L133-V163 HydrophobicContact CB-CG1 3.96Å; L133-V163 HydrophobicContact CD1-CG1 4.46Å; L133-L164 HydrophobicContact CD1-CB 3.74Å; L133-L164 HydrophobicContact CD1-CD1 4.04Å; L133-L164 HydrophobicContact CD1-CG 4.42Å; L133-I167 HydrophobicContact CD1-CD1 4.19Å; L133-I167 HydrophobicContact CD2-CD1 4.19Å
134	P	81.4	Confident	83.5	Confident	31 Å²	31	59.9 Å²	59.9	20%	0.201	32%	0.317	C	S	.	.	H	α-helix	trans	-56	-39.2	169.7	-28.3	36.6	0	0	0	113	V129 D130 M136 A137 L159	V129-P134 WeakPolarHBondContact O-CD 3.44Å; D130-P134 WeakPolarHBondContact O-CD 3.33Å; D130-P134 WeakPolarHBondContact O-CG 3.45Å; P134-M136 PolarHBondContact O-N 3.05Å; P134-A137 VanDerWaalsContact O-CB 3.31Å; P134-A137 WeakPolarHBondContact O-CB 3.29Å; P134-A137 PolarHBondContact O-N 3.03Å; P134-L159 HydrophobicContact CB-CD2 4.05Å; P134-L159 HydrophobicContact CB-CG 4.29Å
135	L	83	Confident	84.6	Confident	117 Å²	117	51.3 Å²	51.3	61%	0.613	29%	0.286	S	S	*	.	H	α-helix	trans	-63.3	-28.1	176.9	-57.8	175.3	0	0	0	111.7	T132 L133 A137 T139	T132-L135 WeakPolarHBondContact O-CB 3.25Å; T132-L135 PolarHBondContact O-N 3.04Å; L133-L135 PolarHBondContact O-N 2.67Å; L135-A137 VanDerWaalsContact C-N 3.34Å; L135-T139 WeakPolarHBondContact O-CG2 3.38Å
136	M	85.1	Confident	85.8	Confident	9 Å²	9	51.7 Å²	51.7	4%	0.044	29%	0.285	C	S	.	.	H	α-helix	trans	-69.4	-32.7	176.2	-162.7	-177.3	-171.7	0	0	111.5	L133 P134 D138 T139 L140 V163 I167 I269 W272 W281	L133-M136 HydrophobicContact CD2-SD 4.25Å; L133-M136 WeakPolarHBondContact O-CA 3.47Å; L133-M136 WeakPolarHBondContact O-CB 3.15Å; L133-M136 PolarHBondContact O-N 3.05Å; P134-M136 PolarHBondContact O-N 3.05Å; M136-D138 PolarHBondContact O-N 3.47Å; M136-T139 WeakPolarHBondContact O-CB 3.49Å; M136-T139 PolarHBondContact O-N 3.09Å; M136-T139 PolarHBondContact O-OG1 3.16Å; M136-L140 WeakPolarHBondContact O-CG 3.37Å; M136-L140 PolarHBondContact O-N 2.69Å; M136-V163 HydrophobicContact CB-CG1 4.33Å; M136-V163 HydrophobicContact SD-CG1 4.22Å; M136-I167 HydrophobicContact CE-CD1 4.46Å; M136-I167 HydrophobicContact SD-CD1 3.8Å; M136-I269 HydrophobicContact CE-CG2 4.46Å; M136-W272 HydrophobicContact CE-CB 4.5Å; M136-W272 VanDerWaalsContact CE-CD1 3.43Å; M136-W272 HydrophobicContact CE-CG 3.99Å; M136-W281 HydrophobicContact CE-CH2 4.2Å; M136-W281 HydrophobicContact CE-CZ2 3.49Å; M136-W281 VanDerWaalsContact CE-CZ2 3.49Å; M136-W281 HydrophobicContact SD-CZ2 4.39Å
137	A	89.1	Confident	86.9	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-58	-38.1	179.4	0	0	0	0	0	112.3	L133 P134 L135 T139 L140 G145 L159 V163	L133-A137 PolarHBondContact O-N 2.91Å; P134-A137 VanDerWaalsContact O-CB 3.31Å; P134-A137 WeakPolarHBondContact O-CB 3.29Å; P134-A137 PolarHBondContact O-N 3.03Å; L135-A137 VanDerWaalsContact C-N 3.34Å; A137-T139 PolarHBondContact O-N 2.82Å; A137-L140 PolarHBondContact O-N 2.89Å; A137-G145 WeakPolarHBondContact O-CA 3.38Å; A137-L159 HydrophobicContact CB-CD1 4.26Å; A137-L159 HydrophobicContact CB-CD2 4.16Å; A137-L159 HydrophobicContact CB-CG 4.38Å; A137-V163 HydrophobicContact CB-CG2 3.88Å
138	D	90.6	Very high	88	Confident	109 Å²	109	44.7 Å²	44.7	58%	0.583	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-14.7	177.7	-68	-35.3	0	0	0	113.6	M136 K149	M136-D138 PolarHBondContact O-N 3.47Å; D138-K149 WeakPolarHBondContact OD1-CE 3.09Å; D138-K149 IonicContact OD1-NZ 2.68Å; D138-K149 PolarHBondContact OD1-NZ 3.38Å
139	T	91.6	Very high	89.2	Confident	33 Å²	33	42.1 Å²	42.1	20%	0.202	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.4	-16.6	-179.5	72.1	0	0	0	0	112.5	L135 M136 A137 W272 R277	L135-T139 WeakPolarHBondContact O-CG2 3.38Å; M136-T139 WeakPolarHBondContact O-CB 3.49Å; M136-T139 PolarHBondContact O-N 3.09Å; M136-T139 PolarHBondContact O-OG1 3.16Å; A137-T139 PolarHBondContact O-N 2.82Å; T139-W272 VanDerWaalsContact O-CZ2 3.31Å; T139-W272 WeakPolarHBondContact O-CZ2 3.48Å; T139-W272 PolarHBondContact OG1-NE1 3.19Å; T139-R277 VanDerWaalsContact CB-CZ 3.44Å; T139-R277 VanDerWaalsContact CG2-NH2 3.3Å
140	L	93.2	Very high	90.2	Very high	13 Å²	13	41.6 Å²	41.6	7%	0.068	24%	0.235	C	C	.	.	S	Bend	trans	-71.4	140.8	-178.9	-58.2	-179.1	0	0	0	110.4	M136 A137 I148 W272 W281 F284	M136-L140 WeakPolarHBondContact O-CG 3.37Å; M136-L140 PolarHBondContact O-N 2.69Å; A137-L140 PolarHBondContact O-N 2.89Å; L140-I148 HydrophobicContact CD1-CD1 3.49Å; L140-I148 VanDerWaalsContact CD1-CD1 3.49Å; L140-W272 HydrophobicContact CD2-CZ2 3.86Å; L140-W281 HydrophobicContact CD2-CH2 4.3Å; L140-W281 HydrophobicContact CD2-CZ2 3.54Å; L140-F284 HydrophobicContact CD1-CE2 4.34Å; L140-F284 HydrophobicContact CD1-CZ 4.39Å; L140-F284 HydrophobicContact CD2-CE2 4.25Å
141	P	93.8	Very high	91.2	Very high	56 Å²	56	38.8 Å²	38.8	36%	0.364	22%	0.22	S	C	.	.	P	Polyproline II helix	trans	-63.8	150.6	179	23.3	-29.1	0	0	0	110.9	F144	P141-F144 HydrophobicContact CG-CD2 4.04Å; P141-F144 HydrophobicContact CG-CE2 4.5Å; P141-F144 WeakPolarHBondContact O-CB 3.32Å; P141-F144 WeakPolarHBondContact O-CD2 3.27Å; P141-F144 PolarHBondContact O-N 2.8Å
142	S	94.9	Very high	92.2	Very high	101 Å²	101	34 Å²	34	71%	0.706	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.6	138.5	169	-177.9	0	0	0	0	109.8
143	P	97.4	Very high	93.3	Very high	22 Å²	22	37.3 Å²	37.3	14%	0.143	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92.4	-1	7.2	36.4	-36	0	0	0	115.2	P90 G145 E146 E147	P90-P143 HydrophobicContact CB-CB 3.93Å; P90-P143 HydrophobicContact CG-CB 3.83Å; P143-G145 PolarHBondContact O-N 2.62Å; P143-E146 PolarHBondContact O-N 3.15Å; P143-E147 HydrophobicContact CB-CG 4.41Å; P143-E147 WeakPolarHBondContact O-CG 3.37Å; P143-E147 PolarHBondContact O-N 3.02Å
144	F	97.4	Very high	94.2	Very high	4 Å²	4	37.5 Å²	37.5	2%	0.018	22%	0.215	C	C	.	.	H	α-helix	trans	-64.1	-44.5	-161.9	-55.2	-74.1	0	0	0	114	P141 E146 E147 I148 V241 F284 R287	P141-F144 HydrophobicContact CG-CD2 4.04Å; P141-F144 HydrophobicContact CG-CE2 4.5Å; P141-F144 WeakPolarHBondContact O-CB 3.32Å; P141-F144 WeakPolarHBondContact O-CD2 3.27Å; P141-F144 PolarHBondContact O-N 2.8Å; F144-E146 VanDerWaalsContact C-N 3.34Å; F144-E146 PolarHBondContact O-N 3.39Å; F144-E147 PolarHBondContact O-N 3.14Å; F144-I148 WeakPolarHBondContact O-CB 3.34Å; F144-I148 VanDerWaalsContact O-CG1 3.32Å; F144-I148 WeakPolarHBondContact O-CG1 3.16Å; F144-I148 PolarHBondContact O-N 3.38Å; F144-V241 HydrophobicContact CB-CG2 4.15Å; F144-V241 HydrophobicContact CD1-CB 4.41Å; F144-V241 HydrophobicContact CD1-CG2 3.87Å; F144-F284 HydrophobicContact CB-CD2 4.13Å; F144-F284 HydrophobicContact CB-CE1 4.27Å; F144-F284 HydrophobicContact CB-CE2 3.7Å; F144-F284 HydrophobicContact CB-CZ 3.79Å; F144-F284 HydrophobicContact CD1-CB 4.44Å; F144-F284 AromaticContact CD1-CD1 3.56Å; F144-F284 HydrophobicContact CD1-CD1 3.56Å; F144-F284 HydrophobicContact CD1-CD2 4.15Å; F144-F284 AromaticContact CD1-CE1 3.77Å; F144-F284 HydrophobicContact CD1-CE1 3.77Å; F144-F284 HydrophobicContact CD1-CE2 4.32Å; F144-F284 AromaticContact CD1-CG 3.78Å; F144-F284 HydrophobicContact CD1-CG 3.78Å; F144-F284 HydrophobicContact CD1-CZ 4.15Å; F144-F284 HydrophobicContact CD2-CB 4.17Å; F144-F284 HydrophobicContact CD2-CD1 4.43Å; F144-F284 AromaticContact CD2-CD2 3.6Å; F144-F284 HydrophobicContact CD2-CD2 3.6Å; F144-F284 HydrophobicContact CD2-CE2 4.07Å; F144-F284 AromaticContact CD2-CG 3.81Å; F144-F284 HydrophobicContact CD2-CG 3.81Å; F144-F284 HydrophobicContact CE1-CB 3.96Å; F144-F284 AromaticContact CE1-CD1 3.66Å; F144-F284 HydrophobicContact CE1-CD1 3.66Å; F144-F284 HydrophobicContact CE1-CD2 4.48Å; F144-F284 HydrophobicContact CE1-CE1 4.33Å; F144-F284 AromaticContact CE1-CG 3.76Å; F144-F284 HydrophobicContact CE1-CG 3.76Å; F144-F284 HydrophobicContact CE2-CB 3.67Å; F144-F284 AromaticContact CE2-CD2 4Å; F144-F284 HydrophobicContact CE2-CD2 4Å; F144-F284 AromaticContact CE2-CG 3.82Å; F144-F284 HydrophobicContact CE2-CG 3.82Å; F144-F284 AromaticContact CG-CD1 3.96Å; F144-F284 HydrophobicContact CG-CD1 3.96Å; F144-F284 AromaticContact CG-CD2 3.68Å; F144-F284 HydrophobicContact CG-CD2 3.68Å; F144-F284 HydrophobicContact CG-CE1 4.06Å; F144-F284 AromaticContact CG-CE2 3.77Å; F144-F284 HydrophobicContact CG-CE2 3.77Å; F144-F284 AromaticContact CG-CG 3.79Å; F144-F284 HydrophobicContact CG-CG 3.79Å; F144-F284 AromaticContact CG-CZ 3.97Å; F144-F284 HydrophobicContact CG-CZ 3.97Å; F144-F284 HydrophobicContact CZ-CB 3.54Å; F144-F284 HydrophobicContact CZ-CD1 4.17Å; F144-F284 HydrophobicContact CZ-CD2 4.42Å; F144-F284 AromaticContact CZ-CG 3.8Å; F144-F284 HydrophobicContact CZ-CG 3.8Å; F144-R287 HydrophobicContact CE1-CB 4.05Å; F144-R287 HydrophobicContact CE1-CG 3.82Å; F144-R287 HydrophobicContact CZ-CB 4.24Å; F144-R287 HydrophobicContact CZ-CG 4.13Å
145	G	96.8	Very high	95	Very high	3 Å²	3	36.2 Å²	36.2	3%	0.031	21%	0.208	C	C	.	.	H	α-helix	trans	-59.5	-44.5	179.6	0	0	0	0	0	112.6	A137 P143 I148 K149	A137-G145 WeakPolarHBondContact O-CA 3.38Å; P143-G145 PolarHBondContact O-N 2.62Å; G145-I148 PolarHBondContact O-N 3.37Å; G145-K149 WeakPolarHBondContact O-CG 3.17Å; G145-K149 PolarHBondContact O-N 2.86Å
146	E	98.3	Very high	95.6	Very high	82 Å²	82	33.7 Å²	33.7	38%	0.383	21%	0.209	S	C	.	.	H	α-helix	trans	-72.3	-36.3	179.6	-67.8	-58.2	119.8	0	0	112.6	P90 S91 P143 F144 K149 G150	P90-E146 HydrophobicContact CB-CB 3.66Å; S91-E146 VanDerWaalsContact CA-O 3.27Å; S91-E146 WeakPolarHBondContact CA-O 3.2Å; P143-E146 PolarHBondContact O-N 3.15Å; F144-E146 VanDerWaalsContact C-N 3.34Å; F144-E146 PolarHBondContact O-N 3.39Å; E146-K149 PolarHBondContact O-N 3.41Å; E146-K149 WeakPolarHBondContact OE1-CD 3.26Å; E146-K149 IonicContact OE1-NZ 2.88Å; E146-K149 PolarHBondContact OE1-NZ 3.35Å; E146-G150 PolarHBondContact O-N 3.08Å
147	E	98.6	Very high	96.1	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-61.9	-42.9	172.1	-76.2	-178	-170.2	0	0	111.6	P90 R93 W94 P143 F144 G150 I151 V241	P90-E147 HydrophobicContact CB-CG 3.96Å; P90-E147 WeakPolarHBondContact O-CG 3.43Å; R93-E147 WeakPolarHBondContact CD-OE1 3.11Å; R93-E147 IonicContact CZ-OE1 3.68Å; R93-E147 IonicContact NE-OE1 3.55Å; R93-E147 IonicContact NH1-OE1 3.72Å; R93-E147 PolarHBondContact NH1-OE1 2.88Å; W94-E147 VanDerWaalsContact NE1-CD 3.26Å; W94-E147 PolarHBondContact NE1-OE2 3.35Å; P143-E147 HydrophobicContact CB-CG 4.41Å; P143-E147 WeakPolarHBondContact O-CG 3.37Å; P143-E147 PolarHBondContact O-N 3.02Å; F144-E147 PolarHBondContact O-N 3.14Å; E147-G150 PolarHBondContact O-N 2.61Å; E147-I151 WeakPolarHBondContact O-CG1 3.44Å; E147-I151 PolarHBondContact O-N 2.83Å; E147-V241 HydrophobicContact CB-CB 4.37Å; E147-V241 HydrophobicContact CB-CG1 3.72Å
148	I	98.3	Very high	96.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.8	-44	176.7	-73.7	165.6	0	0	0	111.5	L140 F144 G145 G150 I151 A152 L159 V162 V163 N166 V241	L140-I148 HydrophobicContact CD1-CD1 3.49Å; L140-I148 VanDerWaalsContact CD1-CD1 3.49Å; F144-I148 WeakPolarHBondContact O-CB 3.34Å; F144-I148 VanDerWaalsContact O-CG1 3.32Å; F144-I148 WeakPolarHBondContact O-CG1 3.16Å; F144-I148 PolarHBondContact O-N 3.38Å; G145-I148 PolarHBondContact O-N 3.37Å; I148-G150 VanDerWaalsContact C-N 3.34Å; I148-G150 PolarHBondContact O-N 2.9Å; I148-I151 WeakPolarHBondContact O-CB 3.47Å; I148-I151 PolarHBondContact O-N 3.37Å; I148-A152 PolarHBondContact O-N 3.09Å; I148-L159 HydrophobicContact CG2-CD1 3.77Å; I148-V162 HydrophobicContact CG2-CB 4.32Å; I148-V162 HydrophobicContact CG2-CG1 3.93Å; I148-V163 HydrophobicContact CG2-CG2 3.78Å; I148-N166 HydrophobicContact CD1-CB 4.22Å; I148-V241 HydrophobicContact CD1-CG2 3.84Å; I148-V241 HydrophobicContact CG1-CG1 3.93Å; I148-V241 HydrophobicContact CG1-CG2 3.75Å
149	K	98.1	Very high	96.6	Very high	46 Å²	46	33.1 Å²	33.1	20%	0.2	21%	0.21	C	C	.	.	H	α-helix	trans	-59.8	-44.5	173.8	-69.4	170.7	-170.6	173.9	0	111.9	D138 G145 E146 I151 A152 D153 L159	D138-K149 WeakPolarHBondContact OD1-CE 3.09Å; D138-K149 IonicContact OD1-NZ 2.68Å; D138-K149 PolarHBondContact OD1-NZ 3.38Å; G145-K149 WeakPolarHBondContact O-CG 3.17Å; G145-K149 PolarHBondContact O-N 2.86Å; E146-K149 PolarHBondContact O-N 3.41Å; E146-K149 WeakPolarHBondContact OE1-CD 3.26Å; E146-K149 IonicContact OE1-NZ 2.88Å; E146-K149 PolarHBondContact OE1-NZ 3.35Å; K149-I151 VanDerWaalsContact C-N 3.3Å; K149-I151 PolarHBondContact O-N 3.35Å; K149-A152 WeakPolarHBondContact O-CB 3.49Å; K149-A152 PolarHBondContact O-N 2.77Å; K149-A152 VanDerWaalsContact O-N 3.15Å; K149-D153 PolarHBondContact O-N 3.18Å; K149-L159 HydrophobicContact CG-CD1 3.99Å; K149-L159 HydrophobicContact CG-CD2 4.07Å
150	G	98.4	Very high	96.6	Very high	4 Å²	4	31.6 Å²	31.6	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-60	-37.4	175.9	0	0	0	0	0	113.9	S91 E146 E147 I148 A154	S91-G150 WeakPolarHBondContact O-CA 3.33Å; E146-G150 PolarHBondContact O-N 3.08Å; E147-G150 PolarHBondContact O-N 2.61Å; I148-G150 VanDerWaalsContact C-N 3.34Å; I148-G150 PolarHBondContact O-N 2.9Å; G150-A154 WeakPolarHBondContact O-CB 3.47Å; G150-A154 PolarHBondContact O-N 3.27Å
151	I	98.6	Very high	96.5	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-65.3	-45.1	174.2	-68.6	163	0	0	0	110.7	W94 I98 L105 E147 I148 K149 A154 S155 V162 V241	W94-I151 HydrophobicContact CB-CD1 4.33Å; W94-I151 HydrophobicContact CB-CG1 3.73Å; W94-I151 HydrophobicContact CD2-CD1 4.4Å; W94-I151 HydrophobicContact CG-CD1 4.07Å; W94-I151 HydrophobicContact CG-CG1 4Å; I98-I151 HydrophobicContact CD1-CG1 4.15Å; I98-I151 HydrophobicContact CD1-CG2 3.91Å; I98-I151 HydrophobicContact CG1-CB 4.33Å; I98-I151 HydrophobicContact CG1-CG1 3.91Å; I98-I151 HydrophobicContact CG1-CG2 4.1Å; I98-I151 HydrophobicContact CG2-CG2 4.48Å; L105-I151 HydrophobicContact CD2-CG2 4.07Å; E147-I151 WeakPolarHBondContact O-CG1 3.44Å; E147-I151 PolarHBondContact O-N 2.83Å; I148-I151 WeakPolarHBondContact O-CB 3.47Å; I148-I151 PolarHBondContact O-N 3.37Å; K149-I151 VanDerWaalsContact C-N 3.3Å; K149-I151 PolarHBondContact O-N 3.35Å; I151-A154 PolarHBondContact O-N 2.98Å; I151-S155 VanDerWaalsContact O-CB 3.27Å; I151-S155 WeakPolarHBondContact O-CB 3.22Å; I151-S155 PolarHBondContact O-N 3.05Å; I151-S155 PolarHBondContact O-OG 2.9Å; I151-V162 HydrophobicContact CB-CG1 4.07Å; I151-V162 HydrophobicContact CG2-CG1 3.63Å; I151-V162 HydrophobicContact CG2-CG2 4.44Å; I151-V241 HydrophobicContact CD1-CG1 3.43Å; I151-V241 VanDerWaalsContact CD1-CG1 3.43Å
152	A	97.9	Very high	96.5	Very high	7 Å²	7	28.8 Å²	28.8	6%	0.058	18%	0.182	C	C	.	.	H	α-helix	trans	-58.6	-47.9	176.9	0	0	0	0	0	111.1	I148 K149 A154 S155 G156 L159 V162	I148-A152 PolarHBondContact O-N 3.09Å; K149-A152 WeakPolarHBondContact O-CB 3.49Å; K149-A152 PolarHBondContact O-N 2.77Å; K149-A152 VanDerWaalsContact O-N 3.15Å; A152-A154 PolarHBondContact O-N 2.85Å; A152-S155 PolarHBondContact O-N 3.5Å; A152-S155 PolarHBondContact O-OG 3.06Å; A152-G156 WeakPolarHBondContact O-CA 3.48Å; A152-G156 PolarHBondContact O-N 2.85Å; A152-L159 HydrophobicContact CB-CB 4.19Å; A152-L159 HydrophobicContact CB-CD1 3.99Å; A152-V162 HydrophobicContact CB-CG2 3.93Å
153	D	98.1	Very high	96.4	Very high	127 Å²	127	24 Å²	24	68%	0.679	15%	0.149	S	C	*	.	H	α-helix	trans	-60.7	-47.2	178.4	-69.8	-14.6	0	0	0	112.6	K149	K149-D153 PolarHBondContact O-N 3.18Å
154	A	98	Very high	96	Very high	22 Å²	22	24.6 Å²	24.6	18%	0.182	15%	0.15	C	C	.	.	H	α-helix	trans	-69.8	-38.3	-177.5	0	0	0	0	0	112.6	T95 I98 G150 I151 A152	T95-A154 HydrophobicContact CG2-CB 4.3Å; I98-A154 HydrophobicContact CB-CB 4.09Å; I98-A154 HydrophobicContact CG2-CB 3.81Å; G150-A154 WeakPolarHBondContact O-CB 3.47Å; G150-A154 PolarHBondContact O-N 3.27Å; I151-A154 PolarHBondContact O-N 2.98Å; A152-A154 PolarHBondContact O-N 2.85Å
155	S	97.8	Very high	95.7	Very high	5 Å²	5	24.5 Å²	24.5	4%	0.035	15%	0.15	C	C	.	.	H	α-helix	trans	-79.4	-30.4	-179.8	62.5	0	0	0	0	112.8	K102 I151 A152 V157	K102-S155 WeakPolarHBondContact CE-O 3.1Å; K102-S155 PolarHBondContact NZ-O 2.86Å; I151-S155 VanDerWaalsContact O-CB 3.27Å; I151-S155 WeakPolarHBondContact O-CB 3.22Å; I151-S155 PolarHBondContact O-N 3.05Å; I151-S155 PolarHBondContact O-OG 2.9Å; A152-S155 PolarHBondContact O-N 3.5Å; A152-S155 PolarHBondContact O-OG 3.06Å; S155-V157 WeakPolarHBondContact OG-CB 3.36Å; S155-V157 PolarHBondContact OG-N 2.94Å; S155-V157 VanDerWaalsContact OG-N 3.13Å
156	G	96.6	Very high	95.4	Very high	63 Å²	63	24.3 Å²	24.3	65%	0.649	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.3	10.6	-166.7	0	0	0	0	0	113.7	A152	A152-G156 WeakPolarHBondContact O-CA 3.48Å; A152-G156 PolarHBondContact O-N 2.85Å
157	V	95.6	Very high	94.7	Very high	14 Å²	14	21.2 Å²	21.2	9%	0.085	13%	0.134	C	C	.	.			trans	-78.9	139.3	172.9	174.4	0	0	0	0	109.1	I109 S155 L159 E161 V162	I109-V157 HydrophobicContact CB-CG1 4.43Å; I109-V157 HydrophobicContact CD1-CG1 4.45Å; I109-V157 HydrophobicContact CG1-CG1 3.99Å; I109-V157 HydrophobicContact CG1-CG2 4.45Å; I109-V157 HydrophobicContact CG2-CG1 3.99Å; S155-V157 WeakPolarHBondContact OG-CB 3.36Å; S155-V157 PolarHBondContact OG-N 2.94Å; S155-V157 VanDerWaalsContact OG-N 3.13Å; V157-L159 PolarHBondContact O-N 2.98Å; V157-E161 HydrophobicContact CG1-CB 3.99Å; V157-V162 HydrophobicContact CB-CG2 3.97Å; V157-V162 HydrophobicContact CG1-CG2 3.73Å
158	P	94.8	Very high	93.8	Very high	51 Å²	51	23.3 Å²	23.3	33%	0.331	14%	0.143	S	C	.	.			trans	-54.1	135.9	174.8	-27.7	36.8	0	0	0	113	G160 E161 V162	P158-G160 VanDerWaalsContact C-N 3.27Å; P158-G160 PolarHBondContact O-N 3.4Å; P158-E161 HydrophobicContact CB-CG 4.33Å; P158-E161 WeakPolarHBondContact O-CB 3.43Å; P158-E161 PolarHBondContact O-N 3.3Å; P158-V162 PolarHBondContact O-N 3.07Å
159	L	94.4	Very high	92.7	Very high	43 Å²	43	23.3 Å²	23.3	23%	0.225	14%	0.143	C	C	.	.	H	α-helix	trans	-54.2	-41.3	-175.8	177.5	58.3	0	0	0	112.9	P134 A137 I148 K149 A152 V157 E161 V162 V163	P134-L159 HydrophobicContact CB-CD2 4.05Å; P134-L159 HydrophobicContact CB-CG 4.29Å; A137-L159 HydrophobicContact CB-CD1 4.26Å; A137-L159 HydrophobicContact CB-CD2 4.16Å; A137-L159 HydrophobicContact CB-CG 4.38Å; I148-L159 HydrophobicContact CG2-CD1 3.77Å; K149-L159 HydrophobicContact CG-CD1 3.99Å; K149-L159 HydrophobicContact CG-CD2 4.07Å; A152-L159 HydrophobicContact CB-CB 4.19Å; A152-L159 HydrophobicContact CB-CD1 3.99Å; V157-L159 PolarHBondContact O-N 2.98Å; L159-E161 PolarHBondContact O-N 3.08Å; L159-V162 PolarHBondContact O-N 3.35Å; L159-V163 HydrophobicContact CD1-CG2 4.28Å; L159-V163 HydrophobicContact CG-CG2 4.47Å; L159-V163 WeakPolarHBondContact O-CG2 3.35Å; L159-V163 PolarHBondContact O-N 2.97Å
160	G	90.8	Very high	91.5	Very high	1 Å²	1	21.4 Å²	21.4	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-59	-33.9	179.5	0	0	0	0	0	113	P158 L164	P158-G160 VanDerWaalsContact C-N 3.27Å; P158-G160 PolarHBondContact O-N 3.4Å; G160-L164 WeakPolarHBondContact O-CB 3.35Å; G160-L164 PolarHBondContact O-N 2.8Å
161	E	91.8	Very high	90	Very high	7 Å²	7	23.2 Å²	23.2	3%	0.033	15%	0.145	C	C	.	.	H	α-helix	trans	-80.2	-32.9	-180	-61.5	-179.8	170.1	0	0	112.5	I109 R113 V129 V157 P158 L159 V163 L164 F165	I109-E161 HydrophobicContact CD1-CB 4.42Å; I109-E161 HydrophobicContact CG2-CB 3.96Å; I109-E161 HydrophobicContact CG2-CG 4.46Å; I109-E161 WeakPolarHBondContact CG2-OE2 3.47Å; R113-E161 IonicContact CZ-OE1 3.9Å; R113-E161 IonicContact CZ-OE2 2.64Å; R113-E161 IonicContact NE-OE1 3.65Å; R113-E161 PolarHBondContact NE-OE1 3.31Å; R113-E161 IonicContact NE-OE2 2.82Å; R113-E161 PolarHBondContact NE-OE2 2.8Å; R113-E161 VanDerWaalsContact NE-OE2 3.11Å; R113-E161 IonicContact NH2-OE1 2.66Å; R113-E161 PolarHBondContact NH2-OE1 3.31Å; R113-E161 IonicContact NH2-OE2 3.82Å; R113-E161 PolarHBondContact NH2-OE2 3.03Å; V129-E161 HydrophobicContact CG1-CG 4.14Å; V157-E161 HydrophobicContact CG1-CB 3.99Å; P158-E161 HydrophobicContact CB-CG 4.33Å; P158-E161 WeakPolarHBondContact O-CB 3.43Å; P158-E161 PolarHBondContact O-N 3.3Å; L159-E161 PolarHBondContact O-N 3.08Å; E161-V163 VanDerWaalsContact C-N 3.34Å; E161-L164 PolarHBondContact O-N 3.33Å; E161-F165 WeakPolarHBondContact O-CB 3.49Å; E161-F165 PolarHBondContact O-N 2.95Å
162	V	94.6	Very high	88.7	Confident	2 Å²	2	26.7 Å²	26.7	1%	0.012	16%	0.161	C	C	.	.	H	α-helix	trans	-66.2	-40	170.1	-173.5	0	0	0	0	110.3	I148 I151 A152 V157 P158 L159 F165 N166	I148-V162 HydrophobicContact CG2-CB 4.32Å; I148-V162 HydrophobicContact CG2-CG1 3.93Å; I151-V162 HydrophobicContact CB-CG1 4.07Å; I151-V162 HydrophobicContact CG2-CG1 3.63Å; I151-V162 HydrophobicContact CG2-CG2 4.44Å; A152-V162 HydrophobicContact CB-CG2 3.93Å; V157-V162 HydrophobicContact CB-CG2 3.97Å; V157-V162 HydrophobicContact CG1-CG2 3.73Å; P158-V162 PolarHBondContact O-N 3.07Å; L159-V162 PolarHBondContact O-N 3.35Å; V162-F165 PolarHBondContact O-N 3.27Å; V162-N166 PolarHBondContact O-N 3.07Å; V162-N166 VanDerWaalsContact O-N 3.14Å; V162-N166 PolarHBondContact O-ND2 2.9Å
163	V	92.1	Very high	87.5	Confident	1 Å²	1	26.4 Å²	26.4	1%	0.006	16%	0.158	C	C	.	.	H	α-helix	trans	-60.9	-48.3	171.9	172.3	0	0	0	0	110.4	L133 M136 A137 I148 L159 E161 F165 N166 I167	L133-V163 HydrophobicContact CB-CB 4.16Å; L133-V163 HydrophobicContact CB-CG1 3.96Å; L133-V163 HydrophobicContact CD1-CG1 4.46Å; M136-V163 HydrophobicContact CB-CG1 4.33Å; M136-V163 HydrophobicContact SD-CG1 4.22Å; A137-V163 HydrophobicContact CB-CG2 3.88Å; I148-V163 HydrophobicContact CG2-CG2 3.78Å; L159-V163 HydrophobicContact CD1-CG2 4.28Å; L159-V163 HydrophobicContact CG-CG2 4.47Å; L159-V163 WeakPolarHBondContact O-CG2 3.35Å; L159-V163 PolarHBondContact O-N 2.97Å; E161-V163 VanDerWaalsContact C-N 3.34Å; V163-F165 VanDerWaalsContact C-N 3.3Å; V163-F165 PolarHBondContact O-N 3.38Å; V163-N166 WeakPolarHBondContact O-CA 3.43Å; V163-N166 PolarHBondContact O-N 3.03Å; V163-I167 HydrophobicContact CG1-CD1 3.99Å; V163-I167 HydrophobicContact CG1-CG1 4.5Å; V163-I167 WeakPolarHBondContact O-CG1 3.35Å; V163-I167 PolarHBondContact O-N 2.82Å
164	L	88.8	Confident	86.8	Confident	34 Å²	34	20.7 Å²	20.7	18%	0.178	13%	0.128	C	C	.	.	H	α-helix	trans	-57.5	-42.8	177.4	-177.6	61.9	0	0	0	112.1	I112 V129 L133 G160 E161 N166 I167 F168	I112-L164 HydrophobicContact CG2-CD2 4.1Å; V129-L164 HydrophobicContact CG1-CB 4.39Å; V129-L164 HydrophobicContact CG1-CD2 4.18Å; V129-L164 HydrophobicContact CG2-CD2 4.1Å; L133-L164 HydrophobicContact CD1-CB 3.74Å; L133-L164 HydrophobicContact CD1-CD1 4.04Å; L133-L164 HydrophobicContact CD1-CG 4.42Å; G160-L164 WeakPolarHBondContact O-CB 3.35Å; G160-L164 PolarHBondContact O-N 2.8Å; E161-L164 PolarHBondContact O-N 3.33Å; L164-N166 VanDerWaalsContact C-N 3.25Å; L164-N166 PolarHBondContact O-N 2.74Å; L164-I167 WeakPolarHBondContact O-CB 3.41Å; L164-I167 PolarHBondContact O-N 2.61Å; L164-I167 VanDerWaalsContact O-N 3.07Å; L164-F168 HydrophobicContact CD1-CD2 4.39Å; L164-F168 HydrophobicContact CD1-CE2 3.96Å; L164-F168 HydrophobicContact CD1-CZ 4.14Å; L164-F168 HydrophobicContact CD2-CE2 3.79Å; L164-F168 HydrophobicContact CD2-CZ 4.24Å; L164-F168 HydrophobicContact CG-CD2 3.98Å; L164-F168 HydrophobicContact CG-CE2 3.52Å; L164-F168 HydrophobicContact CG-CZ 4.14Å; L164-F168 WeakPolarHBondContact O-CD2 3.35Å; L164-F168 PolarHBondContact O-N 2.88Å
165	F	90.6	Very high	86.5	Confident	2 Å²	2	19.7 Å²	19.7	1%	0.009	12%	0.119	C	C	.	.	H	α-helix	trans	-59	-38.1	175.6	-176.4	-116.9	0	0	0	112	L105 M108 I109 I112 E161 V162 V163 Y169 L215 L218	L105-F165 HydrophobicContact CD1-CD1 4.46Å; L105-F165 HydrophobicContact CD1-CE1 4.27Å; M108-F165 HydrophobicContact CE-CD2 4.15Å; M108-F165 HydrophobicContact CE-CE2 3.73Å; M108-F165 HydrophobicContact CG-CD2 4.38Å; M108-F165 HydrophobicContact CG-CE2 3.79Å; M108-F165 HydrophobicContact CG-CZ 4.46Å; I109-F165 HydrophobicContact CD1-CB 3.96Å; I109-F165 HydrophobicContact CD1-CG 4.36Å; I112-F165 HydrophobicContact CD1-CD2 4.08Å; E161-F165 WeakPolarHBondContact O-CB 3.49Å; E161-F165 PolarHBondContact O-N 2.95Å; V162-F165 PolarHBondContact O-N 3.27Å; V163-F165 VanDerWaalsContact C-N 3.3Å; V163-F165 PolarHBondContact O-N 3.38Å; F165-Y169 HydrophobicContact CD1-CE2 4.23Å; F165-Y169 HydrophobicContact CD2-CE2 4.11Å; F165-Y169 AromaticContact CE1-CE2 3.86Å; F165-Y169 HydrophobicContact CE1-CE2 3.86Å; F165-Y169 AromaticContact CE2-CE2 3.71Å; F165-Y169 HydrophobicContact CE2-CE2 3.71Å; F165-Y169 AromaticContact CE2-CZ 3.95Å; F165-Y169 WeakPolarHBondContact CE2-OH 3.39Å; F165-Y169 HydrophobicContact CG-CE2 4.37Å; F165-Y169 AromaticContact CZ-CE2 3.6Å; F165-Y169 HydrophobicContact CZ-CE2 3.6Å; F165-Y169 AromaticContact CZ-CZ 3.83Å; F165-Y169 WeakPolarHBondContact CZ-OH 3.39Å; F165-Y169 WeakPolarHBondContact O-CD2 3.47Å; F165-Y169 WeakPolarHBondContact O-CE2 3.45Å; F165-L215 HydrophobicContact CE2-CD2 3.87Å; F165-L215 HydrophobicContact CZ-CD2 3.99Å; F165-L218 HydrophobicContact CZ-CD1 4.34Å
166	N	91.8	Very high	86.5	Confident	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-72.9	-28.2	175.4	-77.2	-95.3	0	0	0	112.9	I148 V162 V163 L164 G239 Y240 V241	I148-N166 HydrophobicContact CD1-CB 4.22Å; V162-N166 PolarHBondContact O-N 3.07Å; V162-N166 VanDerWaalsContact O-N 3.14Å; V162-N166 PolarHBondContact O-ND2 2.9Å; V163-N166 WeakPolarHBondContact O-CA 3.43Å; V163-N166 PolarHBondContact O-N 3.03Å; L164-N166 VanDerWaalsContact C-N 3.25Å; L164-N166 PolarHBondContact O-N 2.74Å; N166-G239 PolarHBondContact ND2-O 3.16Å; N166-Y240 HydrophobicContact CB-CD2 4.13Å; N166-Y240 HydrophobicContact CB-CE2 4.23Å; N166-Y240 WeakPolarHBondContact O-CE2 3.49Å; N166-Y240 WeakPolarHBondContact OD1-CA 3.25Å; N166-Y240 WeakPolarHBondContact OD1-CD2 3.22Å; N166-V241 WeakPolarHBondContact OD1-CG2 3.39Å; N166-V241 PolarHBondContact OD1-N 3.07Å
167	I	84.2	Confident	86.6	Confident	17 Å²	17	16.4 Å²	16.4	9%	0.087	9%	0.087	C	C	.	.	H	α-helix	trans	-70.9	-40.2	173.9	-67.3	168.4	0	0	0	111.7	L133 M136 V163 L164 Y169 E170 I269 W281	L133-I167 HydrophobicContact CD1-CD1 4.19Å; L133-I167 HydrophobicContact CD2-CD1 4.19Å; M136-I167 HydrophobicContact CE-CD1 4.46Å; M136-I167 HydrophobicContact SD-CD1 3.8Å; V163-I167 HydrophobicContact CG1-CD1 3.99Å; V163-I167 HydrophobicContact CG1-CG1 4.5Å; V163-I167 WeakPolarHBondContact O-CG1 3.35Å; V163-I167 PolarHBondContact O-N 2.82Å; L164-I167 WeakPolarHBondContact O-CB 3.41Å; L164-I167 PolarHBondContact O-N 2.61Å; L164-I167 VanDerWaalsContact O-N 3.07Å; I167-Y169 PolarHBondContact O-N 2.93Å; I167-Y169 VanDerWaalsContact O-N 3.1Å; I167-E170 WeakPolarHBondContact O-CB 3.46Å; I167-E170 PolarHBondContact O-N 3.4Å; I167-I269 HydrophobicContact CG2-CD1 3.68Å; I167-W281 HydrophobicContact CB-CH2 4.47Å; I167-W281 HydrophobicContact CD1-CH2 4.37Å; I167-W281 HydrophobicContact CG1-CH2 3.4Å; I167-W281 VanDerWaalsContact CG1-CH2 3.4Å; I167-W281 HydrophobicContact CG1-CZ2 4.38Å; I167-W281 HydrophobicContact CG1-CZ3 3.88Å
168	F	79	Confident	86.8	Confident	43 Å²	43	15.8 Å²	15.8	19%	0.189	8%	0.083	C	C	.	.	H	α-helix	trans	-57.4	-31.5	-173.5	-87.2	-53.1	0	0	0	113.9	I112 L164 E170 V171 F172 F196	I112-F168 HydrophobicContact CD1-CD2 3.91Å; I112-F168 HydrophobicContact CD1-CE2 3.85Å; I112-F168 HydrophobicContact CG1-CE2 4.13Å; I112-F168 HydrophobicContact CG2-CE2 3.62Å; I112-F168 HydrophobicContact CG2-CZ 4.17Å; L164-F168 HydrophobicContact CD1-CD2 4.39Å; L164-F168 HydrophobicContact CD1-CE2 3.96Å; L164-F168 HydrophobicContact CD1-CZ 4.14Å; L164-F168 HydrophobicContact CD2-CE2 3.79Å; L164-F168 HydrophobicContact CD2-CZ 4.24Å; L164-F168 HydrophobicContact CG-CD2 3.98Å; L164-F168 HydrophobicContact CG-CE2 3.52Å; L164-F168 HydrophobicContact CG-CZ 4.14Å; L164-F168 WeakPolarHBondContact O-CD2 3.35Å; L164-F168 PolarHBondContact O-N 2.88Å; F168-E170 PolarHBondContact O-N 3.35Å; F168-V171 PolarHBondContact O-N 3.42Å; F168-F172 AromaticContact CD1-CD2 3.71Å; F168-F172 HydrophobicContact CD1-CD2 3.71Å; F168-F172 AromaticContact CD1-CE2 3.75Å; F168-F172 HydrophobicContact CD1-CE2 3.75Å; F168-F172 HydrophobicContact CE1-CD2 4.33Å; F168-F172 AromaticContact CE1-CE2 3.98Å; F168-F172 HydrophobicContact CE1-CE2 3.98Å; F168-F172 PolarHBondContact O-N 2.93Å; F168-F196 HydrophobicContact CB-CZ 4.21Å
169	Y	74.6	Confident	87	Confident	1 Å²	1	13.3 Å²	13.3	0%	0.004	7%	0.067	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-13.3	177.3	-68.4	-74.2	0	0	0	114.6	F165 I167 V171 T173 F196 L215 F237 Y240 L244	F165-Y169 HydrophobicContact CD1-CE2 4.23Å; F165-Y169 HydrophobicContact CD2-CE2 4.11Å; F165-Y169 AromaticContact CE1-CE2 3.86Å; F165-Y169 HydrophobicContact CE1-CE2 3.86Å; F165-Y169 AromaticContact CE2-CE2 3.71Å; F165-Y169 HydrophobicContact CE2-CE2 3.71Å; F165-Y169 AromaticContact CE2-CZ 3.95Å; F165-Y169 WeakPolarHBondContact CE2-OH 3.39Å; F165-Y169 HydrophobicContact CG-CE2 4.37Å; F165-Y169 AromaticContact CZ-CE2 3.6Å; F165-Y169 HydrophobicContact CZ-CE2 3.6Å; F165-Y169 AromaticContact CZ-CZ 3.83Å; F165-Y169 WeakPolarHBondContact CZ-OH 3.39Å; F165-Y169 WeakPolarHBondContact O-CD2 3.47Å; F165-Y169 WeakPolarHBondContact O-CE2 3.45Å; I167-Y169 PolarHBondContact O-N 2.93Å; I167-Y169 VanDerWaalsContact O-N 3.1Å; Y169-V171 VanDerWaalsContact C-N 3.33Å; Y169-T173 HydrophobicContact CD1-CG2 4.24Å; Y169-T173 WeakPolarHBondContact O-CG2 3.27Å; Y169-F196 AromaticContact CD1-CD2 3.66Å; Y169-F196 HydrophobicContact CD1-CD2 3.66Å; Y169-F196 AromaticContact CD1-CE2 3.23Å; Y169-F196 HydrophobicContact CD1-CE2 3.23Å; Y169-F196 AromaticContact CD1-CZ 3.81Å; Y169-F196 HydrophobicContact CD1-CZ 3.81Å; Y169-F196 HydrophobicContact CE1-CD1 4.49Å; Y169-F196 AromaticContact CE1-CD2 3.72Å; Y169-F196 HydrophobicContact CE1-CD2 3.72Å; Y169-F196 HydrophobicContact CE1-CE1 4.33Å; Y169-F196 AromaticContact CE1-CE2 3.56Å; Y169-F196 HydrophobicContact CE1-CE2 3.56Å; Y169-F196 HydrophobicContact CE1-CG 4.18Å; Y169-F196 AromaticContact CE1-CZ 3.86Å; Y169-F196 HydrophobicContact CE1-CZ 3.86Å; Y169-F196 HydrophobicContact CG-CE2 4.04Å; Y169-F196 HydrophobicContact CG-CZ 4.38Å; Y169-L215 HydrophobicContact CE1-CD1 4.27Å; Y169-L215 WeakPolarHBondContact OH-CD2 3.35Å; Y169-F237 HydrophobicContact CD1-CD2 4.35Å; Y169-F237 HydrophobicContact CD1-CE2 4.33Å; Y169-F237 AromaticContact CE1-CD2 3.4Å; Y169-F237 HydrophobicContact CE1-CD2 3.4Å; Y169-F237 AromaticContact CE1-CE2 3.42Å; Y169-F237 HydrophobicContact CE1-CE2 3.42Å; Y169-F237 VanDerWaalsContact CE1-CE2 3.42Å; Y169-F237 HydrophobicContact CE1-CG 4.36Å; Y169-F237 HydrophobicContact CE1-CZ 4.4Å; Y169-F237 HydrophobicContact CE2-CD2 4.45Å; Y169-F237 AromaticContact CZ-CD2 3.45Å; Y169-F237 VanDerWaalsContact CZ-CD2 3.45Å; Y169-F237 AromaticContact CZ-CE2 3.93Å; Y169-F237 WeakPolarHBondContact OH-CD2 3.36Å; Y169-F237 VanDerWaalsContact OH-CG 3.31Å; Y169-F237 WeakPolarHBondContact OH-CG 3.34Å; Y169-Y240 VanDerWaalsContact CB-CZ 3.41Å; Y169-Y240 VanDerWaalsContact CB-OH 3.25Å; Y169-Y240 WeakPolarHBondContact CB-OH 3.28Å; Y169-Y240 HydrophobicContact CD2-CD1 4.2Å; Y169-Y240 AromaticContact CD2-CD2 3.33Å; Y169-Y240 HydrophobicContact CD2-CD2 3.33Å; Y169-Y240 HydrophobicContact CD2-CE1 4.31Å; Y169-Y240 AromaticContact CD2-CE2 3.49Å; Y169-Y240 HydrophobicContact CD2-CE2 3.49Å; Y169-Y240 VanDerWaalsContact CD2-CE2 3.49Å; Y169-Y240 AromaticContact CD2-CG 3.71Å; Y169-Y240 HydrophobicContact CD2-CG 3.71Å; Y169-Y240 AromaticContact CD2-CZ 3.94Å; Y169-Y240 AromaticContact CE2-CD2 3.88Å; Y169-Y240 HydrophobicContact CE2-CD2 3.88Å; Y169-Y240 HydrophobicContact CE2-CE2 4.46Å; Y169-Y240 AromaticContact CE2-CG 3.93Å; Y169-Y240 HydrophobicContact CE2-CG 3.93Å; Y169-Y240 HydrophobicContact CG-CD1 4.41Å; Y169-Y240 HydrophobicContact CG-CD2 4.09Å; Y169-Y240 HydrophobicContact CG-CE1 4.17Å; Y169-Y240 AromaticContact CG-CE2 3.86Å; Y169-Y240 HydrophobicContact CG-CE2 3.86Å; Y169-Y240 HydrophobicContact CG-CG 4.36Å; Y169-Y240 AromaticContact CG-CZ 3.85Å; Y169-L244 HydrophobicContact CD1-CD1 4.05Å
170	E	72.8	Confident	87.2	Confident	5 Å²	5	11.3 Å²	11.3	2%	0.023	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	0.6	174.6	-55.4	-70.3	136.3	0	0	112.8	I167 F168 Y240 W281 M282 S283	I167-E170 WeakPolarHBondContact O-CB 3.46Å; I167-E170 PolarHBondContact O-N 3.4Å; F168-E170 PolarHBondContact O-N 3.35Å; E170-Y240 PolarHBondContact OE1-OH 3.36Å; E170-W281 HydrophobicContact CG-CD2 4.41Å; E170-W281 HydrophobicContact CG-CE3 3.64Å; E170-W281 HydrophobicContact CG-CZ3 4.16Å; E170-M282 HydrophobicContact CB-CE 4.39Å; E170-M282 PolarHBondContact OE2-N 3.33Å; E170-S283 WeakPolarHBondContact OE1-CB 3.5Å; E170-S283 PolarHBondContact OE1-N 3.48Å; E170-S283 PolarHBondContact OE1-OG 3.34Å
171	V	68.2	Low	87.5	Confident	42 Å²	42	12 Å²	12	26%	0.255	6%	0.059	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.6	-30	-170.5	-168.9	0	0	0	0	114.3	F168 Y169 I269	F168-V171 PolarHBondContact O-N 3.42Å; Y169-V171 VanDerWaalsContact C-N 3.33Å; V171-I269 HydrophobicContact CG2-CD1 4.2Å
172	F	70.1	Confident	87.8	Confident	74 Å²	74	12.6 Å²	12.6	33%	0.325	6%	0.063	S	C	.	.	S	Bend	trans	-123.8	31.5	-170	-60.4	-78	0	0	0	114.8	F168 F196 L200	F168-F172 AromaticContact CD1-CD2 3.71Å; F168-F172 HydrophobicContact CD1-CD2 3.71Å; F168-F172 AromaticContact CD1-CE2 3.75Å; F168-F172 HydrophobicContact CD1-CE2 3.75Å; F168-F172 HydrophobicContact CE1-CD2 4.33Å; F168-F172 AromaticContact CE1-CE2 3.98Å; F168-F172 HydrophobicContact CE1-CE2 3.98Å; F168-F172 PolarHBondContact O-N 2.93Å; F172-F196 HydrophobicContact CB-CE2 4.38Å; F172-F196 HydrophobicContact CB-CZ 4.25Å; F172-F196 WeakPolarHBondContact O-CD2 3.13Å; F172-L200 HydrophobicContact CB-CD1 4.41Å; F172-L200 HydrophobicContact CG-CD1 4.38Å
173	T	72.9	Confident	87.8	Confident	0 Å²	0	18.3 Å²	18.3	0%	0	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	140.8	175	73.9	0	0	0	0	111.1	Y169 F196 L244 E258	Y169-T173 HydrophobicContact CD1-CG2 4.24Å; Y169-T173 WeakPolarHBondContact O-CG2 3.27Å; T173-F196 HydrophobicContact CG2-CD2 3.6Å; T173-F196 HydrophobicContact CG2-CE2 3.63Å; T173-L244 HydrophobicContact CG2-CD1 4.45Å; T173-E258 WeakPolarHBondContact O-CB 3.46Å; T173-E258 WeakPolarHBondContact OG1-CB 3.08Å
174	V	83.6	Confident	87.7	Confident	7 Å²	7	27.4 Å²	27.4	4%	0.042	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	146.4	170.5	177.8	0	0	0	0	106.1	D195 L198 N353	V174-D195 CarbonylContact C-O 3.6Å; V174-D195 HydrophobicContact CB-CB 3.88Å; V174-D195 HydrophobicContact CG1-CB 4.16Å; V174-D195 PolarHBondContact N-O 3.12Å; V174-D195 CarbonylContact O-C 3.53Å; V174-D195 VanDerWaalsContact O-CA 3.26Å; V174-D195 WeakPolarHBondContact O-CA 3.21Å; V174-D195 WeakPolarHBondContact O-CB 3.26Å; V174-D195 PolarHBondContact O-N 3.1Å; V174-L198 HydrophobicContact CG2-CD2 4.31Å; V174-N353 VanDerWaalsContact CG1-OD1 3.29Å; V174-N353 WeakPolarHBondContact CG1-OD1 3.41Å
175	C	92.1	Very high	87.8	Confident	1 Å²	1	29.1 Å²	29.1	1%	0.007	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	152	-164.2	-63.5	0	0	0	0	111.5	R192 N257 T352 N353 R366	C175-R192 PolarHBondContact SG-NH1 3.43Å; C175-R192 PolarHBondContact SG-NH2 3.04Å; C175-N257 HydrophobicContact CB-CB 3.72Å; C175-N257 WeakPolarHBondContact CB-ND2 3.45Å; C175-N257 VanDerWaalsContact CB-OD1 3.25Å; C175-N257 WeakPolarHBondContact CB-OD1 3.3Å; C175-T352 CarbonylContact O-C 3.56Å; C175-T352 WeakPolarHBondContact O-CA 3.42Å; C175-N353 PolarHBondContact N-OD1 3.33Å; C175-N353 PolarHBondContact O-OD1 3.28Å; C175-N353 VanDerWaalsContact O-OD1 3.09Å; C175-R366 PolarHBondContact O-NH1 2.98Å
176	T	98.1	Very high	88	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	126.5	159.5	-61.6	0	0	0	0	107.6	R192 N193 E351 T352 R366 L391 V396	T176-R192 CarbonylContact O-C 3.45Å; T176-R192 WeakPolarHBondContact O-CA 3.48Å; T176-R192 WeakPolarHBondContact O-CB 3.15Å; T176-N193 PolarHBondContact N-O 3.33Å; T176-N193 PolarHBondContact O-N 3.48Å; T176-E351 WeakPolarHBondContact CA-O 3.25Å; T176-T352 HydrophobicContact CG2-CG2 4.19Å; T176-R366 PolarHBondContact OG1-NH1 2.98Å; T176-L391 HydrophobicContact CG2-CD2 4.31Å; T176-V396 HydrophobicContact CG2-CG1 3.78Å
177	S	98.8	Very high	88.2	Confident	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.4	-177.4	-62.5	0	0	0	0	109.9	T255 N257 L350 E351	S177-T255 WeakPolarHBondContact CB-OG1 3.37Å; S177-T255 PolarHBondContact OG-OG1 2.9Å; S177-T255 VanDerWaalsContact OG-OG1 3.14Å; S177-N257 PolarHBondContact OG-OD1 3.33Å; S177-L350 WeakPolarHBondContact O-CA 3.29Å; S177-E351 PolarHBondContact N-O 2.99Å; S177-E351 PolarHBondContact O-N 3.47Å
178	V	98.8	Very high	88.8	Confident	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	130.7	-178.1	-172.5	0	0	0	0	109.2	H190 G191 V349 L350 M374 L387	V178-H190 CarbonylContact O-C 3.51Å; V178-H190 VanDerWaalsContact O-CA 3.27Å; V178-H190 WeakPolarHBondContact O-CA 3.45Å; V178-H190 PolarHBondContact O-CD2 3.1Å; V178-G191 PolarHBondContact N-O 3.3Å; V178-G191 PolarHBondContact O-N 2.82Å; V178-V349 WeakPolarHBondContact CA-O 3.41Å; V178-L350 HydrophobicContact CG2-CB 4.39Å; V178-L350 HydrophobicContact CG2-CD1 3.59Å; V178-L350 HydrophobicContact CG2-CG 3.86Å; V178-M374 HydrophobicContact CG1-CE 3.71Å; V178-M374 HydrophobicContact CG1-SD 4.06Å; V178-L387 HydrophobicContact CB-CD1 3.92Å; V178-L387 HydrophobicContact CG1-CD1 4.06Å; V178-L387 HydrophobicContact CG2-CD1 4.2Å
179	V	98.8	Very high	89.7	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	127.1	162.8	175.5	0	0	0	0	107.3	L188 I189 H190 I315 I340 Y348 V349	V179-L188 HydrophobicContact CG1-CD1 3.96Å; V179-I189 WeakPolarHBondContact CA-O 3.22Å; V179-H190 HydrophobicContact CG2-CB 4.04Å; V179-H190 VanDerWaalsContact CG2-CG 3.47Å; V179-H190 WeakPolarHBondContact CG2-ND1 3.33Å; V179-I315 HydrophobicContact CB-CG2 4.43Å; V179-I315 HydrophobicContact CG2-CG2 3.52Å; V179-I340 HydrophobicContact CG1-CD1 3.97Å; V179-Y348 CarbonylContact O-C 3.5Å; V179-Y348 WeakPolarHBondContact O-CA 3.27Å; V179-Y348 WeakPolarHBondContact O-CB 3.38Å; V179-V349 HydrophobicContact CB-CG2 3.9Å; V179-V349 PolarHBondContact N-O 2.64Å; V179-V349 PolarHBondContact O-N 2.81Å
180	A	98.6	Very high	90.9	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	143	-179.7	0	0	0	0	0	110.9	L188 I189 W347 M374 I382	A180-L188 WeakPolarHBondContact O-CA 3.12Å; A180-I189 PolarHBondContact N-O 3.27Å; A180-I189 PolarHBondContact O-N 2.94Å; A180-W347 HydrophobicContact CB-CE3 4.3Å; A180-W347 HydrophobicContact CB-CZ3 4.12Å; A180-M374 HydrophobicContact CB-CE 3.87Å; A180-I382 HydrophobicContact CB-CD1 4.37Å; A180-I382 HydrophobicContact CB-CG1 3.8Å
181	Q	98.3	Very high	92.1	Very high	17 Å²	17	29.1 Å²	29.1	8%	0.079	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124.7	174.9	-173.2	-178.3	-56.2	0	0	110.4	N187 L188 P321 I340 W347 Q379	Q181-N187 WeakPolarHBondContact CA-O 3.47Å; Q181-L188 HydrophobicContact CB-CD1 3.87Å; Q181-L188 HydrophobicContact CG-CD1 4.33Å; Q181-L188 HydrophobicContact CG-CD2 4.48Å; Q181-P321 VanDerWaalsContact OE1-CA 3.29Å; Q181-I340 HydrophobicContact CB-CD1 4.48Å; Q181-W347 PolarHBondContact N-O 2.92Å; Q181-Q379 VanDerWaalsContact O-CG 3.26Å; Q181-Q379 WeakPolarHBondContact O-CG 3.37Å; Q181-Q379 PolarHBondContact O-NE2 3.35Å
182	D	96.5	Very high	93.6	Very high	19 Å²	19	27.1 Å²	27.1	10%	0.102	14%	0.141	C	C	.	.			trans	-69.7	150.3	174	85.3	64	0	0	0	112.1	K184 A185 G186 N187 I382	D182-K184 WeakPolarHBondContact OD1-CA 3.12Å; D182-K184 PolarHBondContact OD1-N 3.4Å; D182-A185 PolarHBondContact OD1-N 2.86Å; D182-G186 VanDerWaalsContact O-CA 3.25Å; D182-G186 WeakPolarHBondContact O-CA 3.24Å; D182-G186 PolarHBondContact O-N 3.45Å; D182-G186 PolarHBondContact OD1-N 2.78Å; D182-G186 VanDerWaalsContact OD1-N 3.08Å; D182-N187 PolarHBondContact N-O 2.73Å; D182-N187 WeakPolarHBondContact OD2-CA 3.43Å; D182-N187 WeakPolarHBondContact OD2-CB 3.48Å; D182-N187 PolarHBondContact OD2-N 3.29Å; D182-N187 PolarHBondContact OD2-ND2 3.29Å; D182-I382 HydrophobicContact CB-CG2 3.86Å
183	Q	95.3	Very high	94.9	Very high	122 Å²	122	23.6 Å²	23.6	57%	0.57	13%	0.125	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-26.8	-179.5	-167.6	178.4	10.7	0	0	113.4	Q379	Q183-Q379 HydrophobicContact CB-CB 4.31Å; Q183-Q379 HydrophobicContact CB-CG 3.87Å; Q183-Q379 PolarHBondContact N-O 2.95Å
184	K	90.3	Very high	96.1	Very high	191 Å²	191	23.7 Å²	23.7	83%	0.83	13%	0.126	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-49.8	-165.8	-68.3	179.8	-180	175.9	0	112.4	D182	D182-K184 WeakPolarHBondContact OD1-CA 3.12Å; D182-K184 PolarHBondContact OD1-N 3.4Å
185	A	90.6	Very high	96.5	Very high	71 Å²	71	23.3 Å²	23.3	59%	0.587	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-121	-9	-176	0	0	0	0	0	112	D182 N187	D182-A185 PolarHBondContact OD1-N 2.86Å; A185-N187 VanDerWaalsContact C-N 3.27Å; A185-N187 WeakPolarHBondContact CB-ND2 3.43Å; A185-N187 PolarHBondContact O-N 3.4Å
186	G	94.3	Very high	96.3	Very high	11 Å²	11	23.4 Å²	23.4	11%	0.113	12%	0.124	C	C	.	.			trans	71.7	22.3	-178.6	0	0	0	0	0	113	D182 L188	D182-G186 VanDerWaalsContact O-CA 3.25Å; D182-G186 WeakPolarHBondContact O-CA 3.24Å; D182-G186 PolarHBondContact O-N 3.45Å; D182-G186 PolarHBondContact OD1-N 2.78Å; D182-G186 VanDerWaalsContact OD1-N 3.08Å; G186-L188 WeakPolarHBondContact O-CD2 3.42Å
187	N	96	Very high	95.3	Very high	48 Å²	48	23.4 Å²	23.4	26%	0.257	12%	0.124	S	C	.	.			trans	-73.3	152.2	175.2	-53.3	-77.8	0	0	0	110.6	Q181 D182 A185 S410	Q181-N187 WeakPolarHBondContact CA-O 3.47Å; D182-N187 PolarHBondContact N-O 2.73Å; D182-N187 WeakPolarHBondContact OD2-CA 3.43Å; D182-N187 WeakPolarHBondContact OD2-CB 3.48Å; D182-N187 PolarHBondContact OD2-N 3.29Å; D182-N187 PolarHBondContact OD2-ND2 3.29Å; A185-N187 VanDerWaalsContact C-N 3.27Å; A185-N187 WeakPolarHBondContact CB-ND2 3.43Å; A185-N187 PolarHBondContact O-N 3.4Å; N187-S410 PolarHBondContact OD1-OG 3.27Å; N187-S410 VanDerWaalsContact OD1-OG 3.1Å
188	L	97.9	Very high	94.2	Very high	2 Å²	2	25 Å²	25	1%	0.01	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	125.6	178.6	-72.6	-62.4	0	0	0	109.5	V179 A180 Q181 G186 Q320 I340	V179-L188 HydrophobicContact CG1-CD1 3.96Å; A180-L188 WeakPolarHBondContact O-CA 3.12Å; Q181-L188 HydrophobicContact CB-CD1 3.87Å; Q181-L188 HydrophobicContact CG-CD1 4.33Å; Q181-L188 HydrophobicContact CG-CD2 4.48Å; G186-L188 WeakPolarHBondContact O-CD2 3.42Å; L188-Q320 VanDerWaalsContact CD2-O 3.31Å; L188-Q320 WeakPolarHBondContact CD2-O 3.45Å; L188-I340 HydrophobicContact CD1-CD1 4.01Å
189	I	98	Very high	93.1	Very high	7 Å²	7	31.4 Å²	31.4	4%	0.036	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	130.5	174.3	-53.4	177.3	0	0	0	107.2	V179 A180 S383 M384 L387	V179-I189 WeakPolarHBondContact CA-O 3.22Å; A180-I189 PolarHBondContact N-O 3.27Å; A180-I189 PolarHBondContact O-N 2.94Å; I189-S383 VanDerWaalsContact CD1-CA 3.41Å; I189-M384 HydrophobicContact CG2-CG 4.12Å; I189-M384 HydrophobicContact CG2-SD 3.64Å; I189-L387 HydrophobicContact CG2-CD2 3.72Å
190	H	98.8	Very high	92.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	117.9	-177.3	-169.9	165.3	0	0	0	109.6	V178 V179 T253 T255 I315 L406 M407	V178-H190 CarbonylContact O-C 3.51Å; V178-H190 VanDerWaalsContact O-CA 3.27Å; V178-H190 WeakPolarHBondContact O-CA 3.45Å; V178-H190 PolarHBondContact O-CD2 3.1Å; V179-H190 HydrophobicContact CG2-CB 4.04Å; V179-H190 VanDerWaalsContact CG2-CG 3.47Å; V179-H190 WeakPolarHBondContact CG2-ND1 3.33Å; H190-T253 HydrophobicContact CB-CG2 4.25Å; H190-T253 WeakPolarHBondContact CB-OG1 3.3Å; H190-T253 VanDerWaalsContact ND1-CB 3.28Å; H190-T253 WeakPolarHBondContact ND1-CB 3.37Å; H190-T253 PolarHBondContact ND1-OG1 3.47Å; H190-T255 PolarHBondContact CE1-OG1 2.95Å; H190-T255 VanDerWaalsContact NE2-CG2 3.33Å; H190-T255 WeakPolarHBondContact NE2-CG2 3.41Å; H190-T255 PolarHBondContact NE2-OG1 3.14Å; H190-I315 PolarHBondContact CE1-O 3Å; H190-I315 VanDerWaalsContact CE1-O 3.25Å; H190-L406 CarbonylContact O-C 3.55Å; H190-M407 HydrophobicContact CB-CB 4.42Å; H190-M407 HydrophobicContact CB-CE 4.07Å; H190-M407 PolarHBondContact N-O 3.01Å; H190-M407 PolarHBondContact O-N 2.93Å
191	G	98.7	Very high	91.5	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	151.7	-179.2	0	0	0	0	0	111.8	V178 T405	V178-G191 PolarHBondContact N-O 3.3Å; V178-G191 PolarHBondContact O-N 2.82Å; G191-T405 CarbonylContact C-O 3.58Å; G191-T405 VanDerWaalsContact CA-O 3.26Å; G191-T405 WeakPolarHBondContact CA-O 3.37Å
192	R	98.6	Very high	91.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	149.9	178.2	79.2	103.4	57.8	-158.7	-4.7	114.7	C175 T176 T245 T255 M256 N257 T404 T405	C175-R192 PolarHBondContact SG-NH1 3.43Å; C175-R192 PolarHBondContact SG-NH2 3.04Å; T176-R192 CarbonylContact O-C 3.45Å; T176-R192 WeakPolarHBondContact O-CA 3.48Å; T176-R192 WeakPolarHBondContact O-CB 3.15Å; R192-T245 WeakPolarHBondContact CD-OG1 3.27Å; R192-T245 HydrophobicContact CG-CG2 4.12Å; R192-T245 PolarHBondContact NE-OG1 3.35Å; R192-T255 HydrophobicContact CB-CG2 4.06Å; R192-T255 HydrophobicContact CG-CG2 3.81Å; R192-M256 PolarHBondContact NH2-O 3.41Å; R192-N257 PolarHBondContact NH2-OD1 3.37Å; R192-T404 CarbonylContact O-C 3.37Å; R192-T404 VanDerWaalsContact O-CA 3.25Å; R192-T404 WeakPolarHBondContact O-CA 3.46Å; R192-T405 PolarHBondContact N-O 2.84Å; R192-T405 PolarHBondContact O-N 2.89Å
193	N	98.6	Very high	90.7	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	133.5	162.2	-81.4	-2.7	0	0	0	109.8	T176 L391 V396 T401 T404	T176-N193 PolarHBondContact N-O 3.33Å; T176-N193 PolarHBondContact O-N 3.48Å; N193-L391 PolarHBondContact ND2-O 3.39Å; N193-V396 PolarHBondContact ND2-O 2.89Å; N193-T401 HydrophobicContact CB-CG2 3.98Å; N193-T404 WeakPolarHBondContact OD1-CB 3.35Å; N193-T404 WeakPolarHBondContact OD1-CG2 3.45Å; N193-T404 PolarHBondContact OD1-OG1 2.63Å
194	L	96.9	Very high	90.3	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	112	170.5	-163.3	134.8	0	0	0	112.2	F196 F237 L244 T401 T402 Y403	L194-F196 HydrophobicContact CD2-CB 4.1Å; L194-F237 HydrophobicContact CD2-CE2 3.6Å; L194-F237 HydrophobicContact CD2-CZ 3.54Å; L194-L244 HydrophobicContact CD1-CB 4.02Å; L194-L244 HydrophobicContact CD1-CD1 3.57Å; L194-L244 HydrophobicContact CD1-CG 4.43Å; L194-T401 WeakPolarHBondContact O-CA 3.36Å; L194-T402 WeakPolarHBondContact CD2-OG1 3.46Å; L194-T402 PolarHBondContact O-N 2.88Å; L194-T402 PolarHBondContact O-OG1 3.47Å; L194-Y403 HydrophobicContact CB-CD1 3.94Å; L194-Y403 HydrophobicContact CB-CD2 4.14Å; L194-Y403 HydrophobicContact CB-CE1 3.56Å; L194-Y403 HydrophobicContact CB-CE2 3.74Å; L194-Y403 HydrophobicContact CB-CG 4.23Å; L194-Y403 VanDerWaalsContact CB-CZ 3.45Å; L194-Y403 HydrophobicContact CD1-CE1 3.85Å; L194-Y403 WeakPolarHBondContact CD1-OH 3.34Å; L194-Y403 HydrophobicContact CD2-CD1 4.35Å; L194-Y403 HydrophobicContact CD2-CE1 3.8Å; L194-Y403 HydrophobicContact CG-CE1 3.92Å; L194-Y403 PolarHBondContact N-O 3.39Å
195	D	93.6	Very high	90.2	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	124.4	-179.6	-52.7	-28.1	0	0	0	107.5	V174 R366 N398 L400 T401	V174-D195 CarbonylContact C-O 3.6Å; V174-D195 HydrophobicContact CB-CB 3.88Å; V174-D195 HydrophobicContact CG1-CB 4.16Å; V174-D195 PolarHBondContact N-O 3.12Å; V174-D195 CarbonylContact O-C 3.53Å; V174-D195 VanDerWaalsContact O-CA 3.26Å; V174-D195 WeakPolarHBondContact O-CA 3.21Å; V174-D195 WeakPolarHBondContact O-CB 3.26Å; V174-D195 PolarHBondContact O-N 3.1Å; D195-R366 IonicContact OD2-CZ 2.63Å; D195-R366 IonicContact OD2-NH1 3.98Å; D195-R366 PolarHBondContact OD2-NH1 2.86Å; D195-N398 PolarHBondContact OD2-ND2 3Å; D195-L400 WeakPolarHBondContact CA-O 3.26Å; D195-L400 HydrophobicContact CB-CB 3.61Å; D195-L400 HydrophobicContact CB-CD1 4.42Å; D195-T401 WeakPolarHBondContact OD1-CA 3.18Å; D195-T401 VanDerWaalsContact OD1-CB 3.26Å; D195-T401 WeakPolarHBondContact OD1-CB 3.39Å; D195-T401 PolarHBondContact OD1-N 2.92Å; D195-T401 PolarHBondContact OD1-OG1 2.87Å
196	F	86.9	Confident	90.1	Very high	3 Å²	3	36.2 Å²	36.2	1%	0.013	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	146.6	-177	-166.2	-85.6	0	0	0	111.6	F168 Y169 F172 T173 L194 L200 I211 S212 L215 L400 T402	F168-F196 HydrophobicContact CB-CZ 4.21Å; Y169-F196 AromaticContact CD1-CD2 3.66Å; Y169-F196 HydrophobicContact CD1-CD2 3.66Å; Y169-F196 AromaticContact CD1-CE2 3.23Å; Y169-F196 HydrophobicContact CD1-CE2 3.23Å; Y169-F196 AromaticContact CD1-CZ 3.81Å; Y169-F196 HydrophobicContact CD1-CZ 3.81Å; Y169-F196 HydrophobicContact CE1-CD1 4.49Å; Y169-F196 AromaticContact CE1-CD2 3.72Å; Y169-F196 HydrophobicContact CE1-CD2 3.72Å; Y169-F196 HydrophobicContact CE1-CE1 4.33Å; Y169-F196 AromaticContact CE1-CE2 3.56Å; Y169-F196 HydrophobicContact CE1-CE2 3.56Å; Y169-F196 HydrophobicContact CE1-CG 4.18Å; Y169-F196 AromaticContact CE1-CZ 3.86Å; Y169-F196 HydrophobicContact CE1-CZ 3.86Å; Y169-F196 HydrophobicContact CG-CE2 4.04Å; Y169-F196 HydrophobicContact CG-CZ 4.38Å; F172-F196 HydrophobicContact CB-CE2 4.38Å; F172-F196 HydrophobicContact CB-CZ 4.25Å; F172-F196 WeakPolarHBondContact O-CD2 3.13Å; T173-F196 HydrophobicContact CG2-CD2 3.6Å; T173-F196 HydrophobicContact CG2-CE2 3.63Å; L194-F196 HydrophobicContact CD2-CB 4.1Å; F196-L200 HydrophobicContact CE1-CD1 4.36Å; F196-I211 HydrophobicContact CD1-CG2 3.81Å; F196-I211 HydrophobicContact CE1-CG2 3.8Å; F196-S212 WeakPolarHBondContact O-CB 3.38Å; F196-S212 PolarHBondContact O-OG 2.84Å; F196-L215 HydrophobicContact CB-CD1 3.81Å; F196-L215 HydrophobicContact CD1-CD1 3.09Å; F196-L215 HydrophobicContact CD1-CG 4.43Å; F196-L215 HydrophobicContact CE1-CD1 3.77Å; F196-L215 HydrophobicContact CG-CD1 3.54Å; F196-L400 PolarHBondContact N-O 2.64Å; F196-L400 VanDerWaalsContact N-O 3.13Å; F196-T402 HydrophobicContact CB-CG2 4.24Å
197	G	76.9	Confident	90	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.2	C	C	.	.			trans	98.8	19.2	169.5	0	0	0	0	0	114.4	F199 L200	G197-F199 PolarHBondContact O-N 3.41Å; G197-L200 PolarHBondContact O-N 3.42Å
198	L	76.5	Confident	89.7	Confident	32 Å²	32	39.2 Å²	39.2	17%	0.168	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	127.7	175.4	-178.1	61.8	0	0	0	109.5	V174 L200 W209 L400 W428	V174-L198 HydrophobicContact CG2-CD2 4.31Å; L198-L200 PolarHBondContact O-N 2.69Å; L198-W209 HydrophobicContact CD1-CZ2 3.89Å; L198-L400 HydrophobicContact CB-CD1 3.86Å; L198-L400 HydrophobicContact CB-CD2 4.03Å; L198-L400 HydrophobicContact CD1-CD1 4.06Å; L198-L400 HydrophobicContact CG-CD1 4.37Å; L198-W428 HydrophobicContact CD1-CB 4.01Å
199	F	75.4	Confident	89.5	Confident	135 Å²	135	40 Å²	40	59%	0.592	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.5	8.3	-175.6	-49.2	-56	0	0	0	116.2	G197 G201 W209	G197-F199 PolarHBondContact O-N 3.41Å; F199-G201 PolarHBondContact O-N 3.24Å; F199-W209 AromaticContact CD1-CH2 3.95Å; F199-W209 HydrophobicContact CD1-CH2 3.95Å; F199-W209 VanDerWaalsContact N-CZ3 3.34Å
200	L	80.4	Confident	89.2	Confident	28 Å²	28	42.7 Å²	42.7	15%	0.147	21%	0.209	C	C	.	.	S	Bend	trans	-99.9	68.7	178.2	-56.9	-176.7	0	0	0	111.3	L115 F172 F196 G197 L198 I211	L115-L200 HydrophobicContact CD1-CB 4.29Å; F172-L200 HydrophobicContact CB-CD1 4.41Å; F172-L200 HydrophobicContact CG-CD1 4.38Å; F196-L200 HydrophobicContact CE1-CD1 4.36Å; G197-L200 PolarHBondContact O-N 3.42Å; L198-L200 PolarHBondContact O-N 2.69Å; L200-I211 HydrophobicContact CB-CB 3.94Å; L200-I211 HydrophobicContact CB-CG1 3.52Å; L200-I211 HydrophobicContact CD1-CG1 4.28Å; L200-I211 HydrophobicContact CD1-CG2 4.32Å; L200-I211 WeakPolarHBondContact O-CG1 3.46Å
201	G	83	Confident	88.9	Confident	14 Å²	14	42.7 Å²	42.7	14%	0.144	21%	0.209	C	C	.	.			trans	81.4	107.2	174.1	0	0	0	0	0	114.2	F199 W209 I210	F199-G201 PolarHBondContact O-N 3.24Å; G201-W209 CarbonylContact O-C 3.52Å; G201-W209 WeakPolarHBondContact O-CA 3.47Å; G201-I210 WeakPolarHBondContact O-CG1 3.34Å; G201-I210 PolarHBondContact O-N 2.95Å
202	W	89	Confident	88.7	Confident	59 Å²	59	42.7 Å²	42.7	22%	0.223	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	123.2	175.5	-178.3	-109.9	0	0	0	111.4	V204 K207 W209 P427	W202-V204 PolarHBondContact O-N 2.72Å; W202-K207 HydrophobicContact CH2-CB 4.13Å; W202-K207 VanDerWaalsContact CH2-O 3.3Å; W202-K207 WeakPolarHBondContact CH2-O 3.41Å; W202-K207 VanDerWaalsContact CZ2-C 3.5Å; W202-K207 HydrophobicContact CZ2-CB 3.79Å; W202-K207 HydrophobicContact CZ2-CG 4.46Å; W202-W209 HydrophobicContact CB-CE3 4.25Å; W202-W209 HydrophobicContact CB-CH2 4.44Å; W202-W209 HydrophobicContact CB-CZ3 3.93Å; W202-W209 AromaticContact CE3-CD2 3.69Å; W202-W209 HydrophobicContact CE3-CD2 3.69Å; W202-W209 AromaticContact CE3-CE2 3.67Å; W202-W209 HydrophobicContact CE3-CE3 4.07Å; W202-W209 HydrophobicContact CE3-CG 4.04Å; W202-W209 HydrophobicContact CE3-CH2 4.37Å; W202-W209 HydrophobicContact CE3-CZ2 4.05Å; W202-W209 HydrophobicContact CE3-CZ3 4.37Å; W202-W209 AromaticContact CE3-NE1 3.98Å; W202-W209 AromaticContact CZ3-CD1 3.91Å; W202-W209 HydrophobicContact CZ3-CD2 4.19Å; W202-W209 AromaticContact CZ3-CE2 3.91Å; W202-W209 HydrophobicContact CZ3-CG 4.2Å; W202-W209 HydrophobicContact CZ3-CZ2 4.46Å; W202-W209 AromaticContact CZ3-NE1 3.74Å; W202-P427 HydrophobicContact CH2-CB 3.97Å; W202-P427 HydrophobicContact CZ3-CB 3.98Å
203	D	88.2	Confident	88.5	Confident	46 Å²	46	45 Å²	45	25%	0.246	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	103.4	169.3	-174.8	-27	0	0	0	109.3	K205 N206 K207 S208 I210	D203-K205 VanDerWaalsContact C-N 3.25Å; D203-K205 PolarHBondContact O-N 2.58Å; D203-K205 WeakPolarHBondContact OD1-CA 3.49Å; D203-K205 WeakPolarHBondContact OD1-CB 3.38Å; D203-K205 PolarHBondContact OD1-N 2.79Å; D203-N206 HydrophobicContact CB-CB 4.33Å; D203-N206 PolarHBondContact O-N 3Å; D203-N206 PolarHBondContact OD1-N 3.13Å; D203-N206 PolarHBondContact OD2-ND2 2.51Å; D203-K207 VanDerWaalsContact O-CA 3.25Å; D203-K207 WeakPolarHBondContact O-CA 3.36Å; D203-K207 PolarHBondContact O-N 2.81Å; D203-S208 WeakPolarHBondContact CB-O 3.48Å; D203-S208 PolarHBondContact N-O 3.23Å; D203-S208 PolarHBondContact O-N 2.96Å; D203-I210 HydrophobicContact CB-CG1 4.28Å
204	V	87.8	Confident	88.4	Confident	99 Å²	99	49.6 Å²	49.6	60%	0.6	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-34.4	-179.8	179.1	0	0	0	0	112	W202	W202-V204 PolarHBondContact O-N 2.72Å
205	K	88.6	Confident	88.3	Confident	183 Å²	183	49.6 Å²	49.6	80%	0.796	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-46.6	-176.7	-177	-177.5	177.2	-176.6	0	110.6	D203	D203-K205 VanDerWaalsContact C-N 3.25Å; D203-K205 PolarHBondContact O-N 2.58Å; D203-K205 WeakPolarHBondContact OD1-CA 3.49Å; D203-K205 WeakPolarHBondContact OD1-CB 3.38Å; D203-K205 PolarHBondContact OD1-N 2.79Å
206	N	88.6	Confident	88.5	Confident	92 Å²	92	49.7 Å²	49.7	49%	0.492	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-11.4	-176.7	-64.6	-37.1	0	0	0	113.2	D203 S208	D203-N206 HydrophobicContact CB-CB 4.33Å; D203-N206 PolarHBondContact O-N 3Å; D203-N206 PolarHBondContact OD1-N 3.13Å; D203-N206 PolarHBondContact OD2-ND2 2.51Å; N206-S208 VanDerWaalsContact C-N 3.35Å
207	K	90.6	Very high	89	Confident	109 Å²	109	52 Å²	52	47%	0.474	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	52.6	-175.6	-54.7	-177.8	-177.4	-177.3	0	110.9	W202 D203 K399	W202-K207 HydrophobicContact CH2-CB 4.13Å; W202-K207 VanDerWaalsContact CH2-O 3.3Å; W202-K207 WeakPolarHBondContact CH2-O 3.41Å; W202-K207 VanDerWaalsContact CZ2-C 3.5Å; W202-K207 HydrophobicContact CZ2-CB 3.79Å; W202-K207 HydrophobicContact CZ2-CG 4.46Å; D203-K207 VanDerWaalsContact O-CA 3.25Å; D203-K207 WeakPolarHBondContact O-CA 3.36Å; D203-K207 PolarHBondContact O-N 2.81Å; K207-K399 WeakPolarHBondContact O-CD 3.14Å; K207-K399 WeakPolarHBondContact O-CE 3.39Å; K207-K399 PolarHBondContact O-NZ 3.45Å
208	S	91.6	Very high	90	Very high	13 Å²	13	52 Å²	52	9%	0.091	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	156.4	-176.2	58.3	0	0	0	0	111.1	D203 N206	D203-S208 WeakPolarHBondContact CB-O 3.48Å; D203-S208 PolarHBondContact N-O 3.23Å; D203-S208 PolarHBondContact O-N 2.96Å; N206-S208 VanDerWaalsContact C-N 3.35Å
209	W	92.4	Very high	91.1	Very high	20 Å²	20	50.6 Å²	50.6	8%	0.076	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	127	171.7	-66.6	105.7	0	0	0	110.5	L198 F199 G201 W202 I211 S212 E213 L400 P427	L198-W209 HydrophobicContact CD1-CZ2 3.89Å; F199-W209 AromaticContact CD1-CH2 3.95Å; F199-W209 HydrophobicContact CD1-CH2 3.95Å; F199-W209 VanDerWaalsContact N-CZ3 3.34Å; G201-W209 CarbonylContact O-C 3.52Å; G201-W209 WeakPolarHBondContact O-CA 3.47Å; W202-W209 HydrophobicContact CB-CE3 4.25Å; W202-W209 HydrophobicContact CB-CH2 4.44Å; W202-W209 HydrophobicContact CB-CZ3 3.93Å; W202-W209 AromaticContact CE3-CD2 3.69Å; W202-W209 HydrophobicContact CE3-CD2 3.69Å; W202-W209 AromaticContact CE3-CE2 3.67Å; W202-W209 HydrophobicContact CE3-CE3 4.07Å; W202-W209 HydrophobicContact CE3-CG 4.04Å; W202-W209 HydrophobicContact CE3-CH2 4.37Å; W202-W209 HydrophobicContact CE3-CZ2 4.05Å; W202-W209 HydrophobicContact CE3-CZ3 4.37Å; W202-W209 AromaticContact CE3-NE1 3.98Å; W202-W209 AromaticContact CZ3-CD1 3.91Å; W202-W209 HydrophobicContact CZ3-CD2 4.19Å; W202-W209 AromaticContact CZ3-CE2 3.91Å; W202-W209 HydrophobicContact CZ3-CG 4.2Å; W202-W209 HydrophobicContact CZ3-CZ2 4.46Å; W202-W209 AromaticContact CZ3-NE1 3.74Å; W209-I211 VanDerWaalsContact C-N 3.34Å; W209-I211 PolarHBondContact O-N 3.42Å; W209-S212 WeakPolarHBondContact CB-OG 3.43Å; W209-S212 PolarHBondContact O-N 3.01Å; W209-E213 PolarHBondContact O-N 2.91Å; W209-L400 HydrophobicContact CB-CD2 4.37Å; W209-L400 HydrophobicContact CD2-CD2 4.3Å; W209-L400 HydrophobicContact CG-CD2 3.74Å; W209-P427 PolarHBondContact NE1-O 3.07Å
210	I	92.7	Very high	92.2	Very high	62 Å²	62	44.1 Å²	44.1	32%	0.318	22%	0.22	S	C	.	.	H	α-helix	trans	-59.1	-48.5	-175.9	-65.4	170.9	0	0	0	109.9	A111 G201 D203 E213 K214	A111-I210 HydrophobicContact CB-CG2 4.19Å; G201-I210 WeakPolarHBondContact O-CG1 3.34Å; G201-I210 PolarHBondContact O-N 2.95Å; D203-I210 HydrophobicContact CB-CG1 4.28Å; I210-E213 PolarHBondContact O-N 2.82Å; I210-K214 WeakPolarHBondContact O-CG 3.25Å; I210-K214 PolarHBondContact O-N 2.99Å
211	I	92.1	Very high	93.1	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-63.9	-44.1	180	-68	-45.1	0	0	0	111.6	M108 A111 I112 L115 F196 L200 W209 E213 K214 L215	M108-I211 HydrophobicContact CE-CD1 3.91Å; M108-I211 HydrophobicContact CE-CG2 3.56Å; M108-I211 HydrophobicContact SD-CD1 3.99Å; M108-I211 HydrophobicContact SD-CG2 4.28Å; A111-I211 HydrophobicContact CB-CD1 3.92Å; I112-I211 HydrophobicContact CG1-CD1 4.08Å; L115-I211 HydrophobicContact CD1-CD1 3.64Å; L115-I211 HydrophobicContact CD1-CG1 3.61Å; F196-I211 HydrophobicContact CD1-CG2 3.81Å; F196-I211 HydrophobicContact CE1-CG2 3.8Å; L200-I211 HydrophobicContact CB-CB 3.94Å; L200-I211 HydrophobicContact CB-CG1 3.52Å; L200-I211 HydrophobicContact CD1-CG1 4.28Å; L200-I211 HydrophobicContact CD1-CG2 4.32Å; L200-I211 WeakPolarHBondContact O-CG1 3.46Å; W209-I211 VanDerWaalsContact C-N 3.34Å; W209-I211 PolarHBondContact O-N 3.42Å; I211-E213 VanDerWaalsContact C-N 3.3Å; I211-E213 PolarHBondContact O-N 3.05Å; I211-K214 PolarHBondContact O-N 3.1Å; I211-K214 VanDerWaalsContact O-N 3.15Å; I211-L215 HydrophobicContact CG2-CD1 4.13Å; I211-L215 HydrophobicContact CG2-CG 4.27Å; I211-L215 WeakPolarHBondContact O-CG 3.35Å; I211-L215 PolarHBondContact O-N 3Å
212	S	93.3	Very high	93.8	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-58.1	-43.4	177.5	-41.3	0	0	0	0	111.7	F196 W209 K214 L215 K216	F196-S212 WeakPolarHBondContact O-CB 3.38Å; F196-S212 PolarHBondContact O-OG 2.84Å; W209-S212 WeakPolarHBondContact CB-OG 3.43Å; W209-S212 PolarHBondContact O-N 3.01Å; S212-K214 PolarHBondContact O-N 2.73Å; S212-L215 PolarHBondContact O-N 2.9Å; S212-K216 WeakPolarHBondContact O-CG 3.34Å; S212-K216 PolarHBondContact O-N 3.07Å
213	E	95.3	Very high	94.3	Very high	49 Å²	49	40 Å²	40	23%	0.229	20%	0.199	C	C	.	.	H	α-helix	trans	-67	-35.7	178.1	-71.9	-51.3	125.7	0	0	113	K76 W209 I210 I211 L215 K216 P217	K76-E213 IonicContact NZ-OE2 3.11Å; K76-E213 PolarHBondContact NZ-OE2 3.15Å; W209-E213 PolarHBondContact O-N 2.91Å; I210-E213 PolarHBondContact O-N 2.82Å; I211-E213 VanDerWaalsContact C-N 3.3Å; I211-E213 PolarHBondContact O-N 3.05Å; E213-L215 VanDerWaalsContact C-N 3.32Å; E213-K216 WeakPolarHBondContact OE1-CE 3.13Å; E213-K216 IonicContact OE1-NZ 2.81Å; E213-K216 PolarHBondContact OE1-NZ 3.44Å; E213-K216 IonicContact OE2-NZ 3.59Å; E213-P217 WeakPolarHBondContact O-CD 3.39Å
214	K	95.8	Very high	94.8	Very high	96 Å²	96	37.9 Å²	37.9	42%	0.417	19%	0.187	S	C	.	.	H	α-helix	trans	-72.7	-24.6	176	-69.4	-67.6	-177.1	179.5	0	113.2	M108 A111 I210 I211 S212 P217	M108-K214 HydrophobicContact CB-CB 4.4Å; M108-K214 HydrophobicContact SD-CB 3.67Å; A111-K214 HydrophobicContact CB-CG 4.08Å; I210-K214 WeakPolarHBondContact O-CG 3.25Å; I210-K214 PolarHBondContact O-N 2.99Å; I211-K214 PolarHBondContact O-N 3.1Å; I211-K214 VanDerWaalsContact O-N 3.15Å; S212-K214 PolarHBondContact O-N 2.73Å; K214-P217 WeakPolarHBondContact O-CD 3.48Å
215	L	95.7	Very high	95.3	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-77.6	-33	175.3	-75.1	-176.1	0	0	0	114	M108 F165 Y169 F196 I211 S212 E213 L218 V219 F237 T402	M108-L215 HydrophobicContact CE-CD2 3.84Å; M108-L215 HydrophobicContact CE-CG 4.19Å; M108-L215 HydrophobicContact CG-CD2 4.22Å; M108-L215 HydrophobicContact SD-CD2 3.97Å; M108-L215 HydrophobicContact SD-CG 4.25Å; F165-L215 HydrophobicContact CE2-CD2 3.87Å; F165-L215 HydrophobicContact CZ-CD2 3.99Å; Y169-L215 HydrophobicContact CE1-CD1 4.27Å; Y169-L215 WeakPolarHBondContact OH-CD2 3.35Å; F196-L215 HydrophobicContact CB-CD1 3.81Å; F196-L215 HydrophobicContact CD1-CD1 3.09Å; F196-L215 HydrophobicContact CD1-CG 4.43Å; F196-L215 HydrophobicContact CE1-CD1 3.77Å; F196-L215 HydrophobicContact CG-CD1 3.54Å; I211-L215 HydrophobicContact CG2-CD1 4.13Å; I211-L215 HydrophobicContact CG2-CG 4.27Å; I211-L215 WeakPolarHBondContact O-CG 3.35Å; I211-L215 PolarHBondContact O-N 3Å; S212-L215 PolarHBondContact O-N 2.9Å; E213-L215 VanDerWaalsContact C-N 3.32Å; L215-L218 HydrophobicContact CD2-CD1 4.25Å; L215-L218 WeakPolarHBondContact O-CA 3.45Å; L215-L218 WeakPolarHBondContact O-CB 3.28Å; L215-L218 PolarHBondContact O-N 2.85Å; L215-V219 PolarHBondContact O-N 2.95Å; L215-F237 HydrophobicContact CB-CD1 4.25Å; L215-F237 HydrophobicContact CB-CE1 3.75Å; L215-F237 HydrophobicContact CB-CZ 4.33Å; L215-F237 HydrophobicContact CD1-CE1 4.33Å; L215-F237 HydrophobicContact CD1-CZ 4.15Å; L215-F237 HydrophobicContact CD2-CD1 4.2Å; L215-F237 HydrophobicContact CD2-CE1 4.39Å; L215-F237 HydrophobicContact CD2-CG 4.48Å; L215-F237 HydrophobicContact CG-CE1 4.39Å; L215-T402 HydrophobicContact CB-CG2 4.12Å
216	K	97.4	Very high	95.8	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	16%	0.159	C	C	.	.	G	3₁₀ helix	trans	-51.1	-46.2	-178.4	-74.9	171.8	-176.4	-178.2	0	113.1	K76 S212 E213 L218 V219 T401 I418 R419 D420	K76-K216 HydrophobicContact CD-CB 4.41Å; K76-K216 HydrophobicContact CD-CD 3.75Å; S212-K216 WeakPolarHBondContact O-CG 3.34Å; S212-K216 PolarHBondContact O-N 3.07Å; E213-K216 WeakPolarHBondContact OE1-CE 3.13Å; E213-K216 IonicContact OE1-NZ 2.81Å; E213-K216 PolarHBondContact OE1-NZ 3.44Å; E213-K216 IonicContact OE2-NZ 3.59Å; K216-L218 VanDerWaalsContact C-N 3.26Å; K216-L218 PolarHBondContact O-N 3.45Å; K216-V219 WeakPolarHBondContact O-CB 3.26Å; K216-V219 WeakPolarHBondContact O-CG2 3.29Å; K216-V219 PolarHBondContact O-N 3.17Å; K216-T401 WeakPolarHBondContact CE-O 3.25Å; K216-I418 HydrophobicContact CB-CG2 3.74Å; K216-I418 HydrophobicContact CD-CG2 4.35Å; K216-I418 HydrophobicContact CG-CG2 3.87Å; K216-R419 WeakPolarHBondContact CE-O 3.23Å; K216-R419 PolarHBondContact NZ-O 3.11Å; K216-R419 VanDerWaalsContact NZ-O 3.14Å; K216-D420 IonicContact NZ-OD1 2.75Å; K216-D420 PolarHBondContact NZ-OD1 3.11Å
217	P	98	Very high	96.3	Very high	51 Å²	51	35 Å²	35	33%	0.331	17%	0.166	S	C	.	.	G	3₁₀ helix	trans	-66.5	-20.1	175.5	-23.6	35	0	0	0	115.8	K101 E104 E213 K214	K101-P217 PolarHBondContact NZ-O 3.25Å; E104-P217 HydrophobicContact CB-CB 4.3Å; E104-P217 HydrophobicContact CG-CB 3.71Å; E213-P217 WeakPolarHBondContact O-CD 3.39Å; K214-P217 WeakPolarHBondContact O-CD 3.48Å
218	L	98.3	Very high	96.6	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-87	-9.4	177.7	-68.3	170.7	0	0	0	112.7	K101 E104 L105 M108 F165 L215 K216 V220 F237 A238	K101-L218 HydrophobicContact CB-CD2 4.27Å; E104-L218 HydrophobicContact CB-CD2 3.67Å; E104-L218 HydrophobicContact CB-CG 4.12Å; L105-L218 HydrophobicContact CB-CD2 4.12Å; M108-L218 HydrophobicContact CB-CD1 3.68Å; M108-L218 HydrophobicContact CG-CD1 3.89Å; F165-L218 HydrophobicContact CZ-CD1 4.34Å; L215-L218 HydrophobicContact CD2-CD1 4.25Å; L215-L218 WeakPolarHBondContact O-CA 3.45Å; L215-L218 WeakPolarHBondContact O-CB 3.28Å; L215-L218 PolarHBondContact O-N 2.85Å; K216-L218 VanDerWaalsContact C-N 3.26Å; K216-L218 PolarHBondContact O-N 3.45Å; L218-V220 PolarHBondContact O-N 2.87Å; L218-F237 HydrophobicContact CB-CB 4.49Å; L218-F237 HydrophobicContact CB-CD1 4.29Å; L218-F237 CarbonylContact O-C 3.58Å; L218-F237 WeakPolarHBondContact O-CA 3.49Å; L218-A238 HydrophobicContact CD2-CB 3.92Å; L218-A238 PolarHBondContact O-N 2.83Å
219	V	98.6	Very high	96.9	Very high	3 Å²	3	42.7 Å²	42.7	2%	0.018	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	124.9	176.2	-177.8	0	0	0	0	109.9	V79 L215 K216 T235 N236 F237 Y403 I418	V79-V219 HydrophobicContact CG1-CG1 3.92Å; V79-V219 HydrophobicContact CG2-CG1 3.71Å; L215-V219 PolarHBondContact O-N 2.95Å; K216-V219 WeakPolarHBondContact O-CB 3.26Å; K216-V219 WeakPolarHBondContact O-CG2 3.29Å; K216-V219 PolarHBondContact O-N 3.17Å; V219-T235 HydrophobicContact CG1-CG2 4Å; V219-N236 CarbonylContact C-O 3.45Å; V219-N236 WeakPolarHBondContact CA-O 3.39Å; V219-F237 HydrophobicContact CG2-CD1 3.93Å; V219-F237 HydrophobicContact CG2-CE1 3.49Å; V219-F237 VanDerWaalsContact CG2-CE1 3.49Å; V219-F237 HydrophobicContact CG2-CZ 4.48Å; V219-Y403 HydrophobicContact CG1-CD1 3.92Å; V219-Y403 HydrophobicContact CG1-CG 4.08Å; V219-Y403 HydrophobicContact CG2-CD1 3.95Å; V219-I418 HydrophobicContact CB-CG1 4.25Å; V219-I418 HydrophobicContact CG1-CG1 4.43Å
220	V	98.8	Very high	97.2	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	152.3	-179.3	-67.4	0	0	0	0	111.2	V79 Y82 L97 L218 L222 N236	V79-V220 VanDerWaalsContact CG1-CA 3.44Å; Y82-V220 HydrophobicContact CD2-CB 3.99Å; Y82-V220 HydrophobicContact CD2-CG1 3.87Å; Y82-V220 HydrophobicContact CE2-CB 4.25Å; Y82-V220 HydrophobicContact CE2-CG1 3.63Å; L97-V220 HydrophobicContact CD1-CB 4.48Å; L97-V220 HydrophobicContact CD1-CG1 3.9Å; L97-V220 HydrophobicContact CD1-CG2 4.38Å; L97-V220 HydrophobicContact CD2-CG2 4.1Å; L218-V220 PolarHBondContact O-N 2.87Å; V220-L222 HydrophobicContact CB-CD2 4.48Å; V220-L222 HydrophobicContact CG2-CD2 3.76Å; V220-L222 HydrophobicContact CG2-CG 4.21Å; V220-N236 PolarHBondContact N-O 3.05Å; V220-N236 PolarHBondContact O-N 2.87Å
221	N	98.9	Very high	97.4	Very high	2 Å²	2	42.7 Å²	42.7	1%	0.011	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	137.9	166.1	-71	-32.2	0	0	0	109.2	V79 S80 W81 Y82 S234 T235 S416	V79-N221 HydrophobicContact CG1-CB 4.22Å; V79-N221 VanDerWaalsContact CG1-N 3.31Å; S80-N221 PolarHBondContact O-N 2.92Å; W81-N221 CarbonylContact C-O 3.46Å; W81-N221 WeakPolarHBondContact CA-O 3.3Å; W81-N221 HydrophobicContact CD2-CB 3.35Å; W81-N221 VanDerWaalsContact CE2-CB 3.45Å; W81-N221 HydrophobicContact CE3-CB 3.58Å; W81-N221 HydrophobicContact CG-CB 3.81Å; W81-N221 HydrophobicContact CH2-CB 3.95Å; W81-N221 HydrophobicContact CZ2-CB 3.77Å; W81-N221 HydrophobicContact CZ3-CB 3.87Å; W81-N221 PolarHBondContact NE1-ND2 3.27Å; Y82-N221 PolarHBondContact N-O 3.33Å; N221-S234 CarbonylContact C-O 3.46Å; N221-S234 VanDerWaalsContact CA-O 3.3Å; N221-S234 WeakPolarHBondContact CA-O 3.28Å; N221-T235 PolarHBondContact OD1-OG1 2.85Å; N221-S416 PolarHBondContact ND2-OG 2.55Å; N221-S416 PolarHBondContact OD1-OG 3.29Å
222	L	98.9	Very high	97.8	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124.6	-176.3	-55.7	177.9	0	0	0	109.1	Y82 I84 W94 L97 V220 F224 K233 S234 N236 M243	Y82-L222 CarbonylContact O-C 3.55Å; Y82-L222 WeakPolarHBondContact O-CA 3.5Å; I84-L222 HydrophobicContact CD1-CD2 4.26Å; I84-L222 HydrophobicContact CG1-CB 4.38Å; I84-L222 HydrophobicContact CG1-CD2 4.08Å; W94-L222 HydrophobicContact CH2-CD1 3.46Å; W94-L222 VanDerWaalsContact CH2-CD1 3.46Å; W94-L222 HydrophobicContact CZ3-CD1 3.62Å; W94-L222 HydrophobicContact CZ3-CD2 4.17Å; L97-L222 HydrophobicContact CD2-CD2 3.9Å; V220-L222 HydrophobicContact CB-CD2 4.48Å; V220-L222 HydrophobicContact CG2-CD2 3.76Å; V220-L222 HydrophobicContact CG2-CG 4.21Å; L222-F224 HydrophobicContact CB-CD2 3.95Å; L222-F224 HydrophobicContact CB-CE2 3.46Å; L222-F224 VanDerWaalsContact CB-CE2 3.46Å; L222-F224 HydrophobicContact CB-CZ 4.25Å; L222-F224 HydrophobicContact CD1-CE2 3.66Å; L222-F224 HydrophobicContact CD1-CZ 3.84Å; L222-F224 HydrophobicContact CG-CE2 4.22Å; L222-K233 CarbonylContact O-C 3.55Å; L222-K233 WeakPolarHBondContact O-CA 2.83Å; L222-S234 PolarHBondContact N-O 3.38Å; L222-S234 PolarHBondContact O-N 3.33Å; L222-N236 HydrophobicContact CD1-CB 3.71Å; L222-N236 HydrophobicContact CG-CB 4.37Å; L222-M243 HydrophobicContact CD1-CE 4.21Å
223	D	98.9	Very high	98	Very high	13 Å²	13	45 Å²	45	7%	0.07	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	101.7	167.4	-178	7.1	0	0	0	108.2	W81 Y82 T83 I84 R225 T230	W81-D223 HydrophobicContact CE3-CB 4.18Å; W81-D223 HydrophobicContact CZ3-CB 4.17Å; Y82-D223 PolarHBondContact O-N 3.16Å; T83-D223 WeakPolarHBondContact CA-O 3.19Å; I84-D223 PolarHBondContact N-O 3.1Å; D223-R225 PolarHBondContact O-N 2.78Å; D223-R225 IonicContact OD1-NE 3.79Å; D223-R225 IonicContact OD2-CZ 3.22Å; D223-R225 VanDerWaalsContact OD2-CZ 3.22Å; D223-R225 IonicContact OD2-NE 2.77Å; D223-R225 PolarHBondContact OD2-NE 3.03Å; D223-R225 IonicContact OD2-NH2 2.79Å; D223-R225 PolarHBondContact OD2-NH2 2.93Å; D223-T230 WeakPolarHBondContact OD1-CB 3.14Å; D223-T230 WeakPolarHBondContact OD1-CG2 3.42Å; D223-T230 PolarHBondContact OD1-OG1 2.83Å; D223-T230 PolarHBondContact OD2-OG1 3.24Å
224	F	98.9	Very high	98.2	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	115.7	178.6	-77.9	-90	0	0	0	109.4	I84 L86 W94 L222 V231 F232 M243	I84-F224 HydrophobicContact CB-CD1 3.52Å; I84-F224 HydrophobicContact CB-CE1 3.41Å; I84-F224 VanDerWaalsContact CB-CE1 3.41Å; I84-F224 HydrophobicContact CB-CG 4.15Å; I84-F224 HydrophobicContact CB-CZ 4Å; I84-F224 HydrophobicContact CG1-CD1 4.24Å; I84-F224 HydrophobicContact CG1-CE1 3.74Å; I84-F224 HydrophobicContact CG1-CE2 4.32Å; I84-F224 HydrophobicContact CG1-CZ 3.79Å; I84-F224 HydrophobicContact CG2-CD1 3.62Å; I84-F224 HydrophobicContact CG2-CE1 3.29Å; I84-F224 HydrophobicContact CG2-CZ 4.18Å; I84-F224 WeakPolarHBondContact O-CA 3.48Å; L86-F224 HydrophobicContact CD1-CB 4.31Å; L86-F224 HydrophobicContact CD2-CD1 3.85Å; L86-F224 HydrophobicContact CG-CD1 4.33Å; W94-F224 AromaticContact CH2-CZ 3.96Å; W94-F224 HydrophobicContact CH2-CZ 3.96Å; W94-F224 HydrophobicContact CZ2-CE1 4.4Å; W94-F224 HydrophobicContact CZ2-CZ 4Å; L222-F224 HydrophobicContact CB-CD2 3.95Å; L222-F224 HydrophobicContact CB-CE2 3.46Å; L222-F224 VanDerWaalsContact CB-CE2 3.46Å; L222-F224 HydrophobicContact CB-CZ 4.25Å; L222-F224 HydrophobicContact CD1-CE2 3.66Å; L222-F224 HydrophobicContact CD1-CZ 3.84Å; L222-F224 HydrophobicContact CG-CE2 4.22Å; F224-V231 PolarHBondContact O-N 3.28Å; F224-F232 HydrophobicContact CB-CD1 3.7Å; F224-F232 HydrophobicContact CB-CE1 3.41Å; F224-F232 VanDerWaalsContact CB-CE1 3.41Å; F224-F232 HydrophobicContact CB-CG 4.36Å; F224-F232 HydrophobicContact CB-CZ 3.86Å; F224-F232 AromaticContact CD1-CE1 4Å; F224-F232 HydrophobicContact CD1-CE1 4Å; F224-F232 AromaticContact CD1-CZ 3.97Å; F224-F232 HydrophobicContact CD1-CZ 3.97Å; F224-F232 HydrophobicContact CD2-CD1 4.34Å; F224-F232 HydrophobicContact CD2-CD2 4.16Å; F224-F232 AromaticContact CD2-CE1 3.63Å; F224-F232 HydrophobicContact CD2-CE1 3.63Å; F224-F232 AromaticContact CD2-CE2 3.4Å; F224-F232 HydrophobicContact CD2-CE2 3.4Å; F224-F232 VanDerWaalsContact CD2-CE2 3.4Å; F224-F232 AromaticContact CD2-CZ 3.06Å; F224-F232 HydrophobicContact CD2-CZ 3.06Å; F224-F232 HydrophobicContact CE1-CZ 4.33Å; F224-F232 HydrophobicContact CE2-CE1 4.38Å; F224-F232 AromaticContact CE2-CE2 3.79Å; F224-F232 HydrophobicContact CE2-CE2 3.79Å; F224-F232 AromaticContact CE2-CZ 3.48Å; F224-F232 HydrophobicContact CE2-CZ 3.48Å; F224-F232 VanDerWaalsContact CE2-CZ 3.48Å; F224-F232 HydrophobicContact CG-CD1 4.14Å; F224-F232 AromaticContact CG-CE1 3.38Å; F224-F232 HydrophobicContact CG-CE1 3.38Å; F224-F232 HydrophobicContact CG-CE2 4.08Å; F224-F232 AromaticContact CG-CZ 3.33Å; F224-F232 HydrophobicContact CG-CZ 3.33Å; F224-F232 HydrophobicContact CZ-CZ 4.11Å; F224-F232 PolarHBondContact N-O 2.88Å; F224-M243 HydrophobicContact CE2-CE 3.96Å; F224-M243 HydrophobicContact CE2-SD 4.12Å; F224-M243 HydrophobicContact CZ-CE 3.75Å
225	R	98.8	Very high	98.3	Very high	74 Å²	74	38 Å²	38	28%	0.279	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	142.3	-175.5	-65.6	-168.5	178.4	-176	4.5	112.4	T83 I84 L86 D223 N228 K229	T83-R225 HydrophobicContact CG2-CB 4.29Å; T83-R225 HydrophobicContact CG2-CG 4.02Å; I84-R225 PolarHBondContact O-N 2.71Å; L86-R225 VanDerWaalsContact CB-O 3.26Å; L86-R225 WeakPolarHBondContact CB-O 3.15Å; L86-R225 PolarHBondContact N-O 3.14Å; D223-R225 PolarHBondContact O-N 2.78Å; D223-R225 IonicContact OD1-NE 3.79Å; D223-R225 IonicContact OD2-CZ 3.22Å; D223-R225 VanDerWaalsContact OD2-CZ 3.22Å; D223-R225 IonicContact OD2-NE 2.77Å; D223-R225 PolarHBondContact OD2-NE 3.03Å; D223-R225 IonicContact OD2-NH2 2.79Å; D223-R225 PolarHBondContact OD2-NH2 2.93Å; R225-N228 PolarHBondContact NH1-OD1 3.08Å; R225-K229 CarbonylContact C-O 3.54Å; R225-K229 WeakPolarHBondContact CA-O 3.14Å
226	K	98.5	Very high	98.4	Very high	118 Å²	118	38 Å²	38	51%	0.513	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.8	169.3	-167.1	178.7	-175.1	171.9	0	108.2	L86 D87 N228 K229 V231	L86-K226 HydrophobicContact CB-CB 4.18Å; L86-K226 HydrophobicContact CB-CG 4.41Å; L86-K226 HydrophobicContact CD1-CB 4.29Å; D87-K226 WeakPolarHBondContact OD1-CG 3.47Å; K226-N228 PolarHBondContact O-N 3.45Å; K226-K229 PolarHBondContact N-O 2.88Å; K226-K229 PolarHBondContact O-N 3Å; K226-V231 HydrophobicContact CB-CG2 3.69Å
227	N	98	Very high	98.4	Very high	121 Å²	121	38 Å²	38	65%	0.647	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.6	42.9	-171	-57.9	-53.9	0	0	0	112.3	D87 K229	D87-N227 VanDerWaalsContact CG-N 3.34Å; D87-N227 PolarHBondContact OD1-N 3.35Å; D87-N227 VanDerWaalsContact OD1-N 3.15Å; D87-N227 WeakPolarHBondContact OD2-CA 3.35Å; D87-N227 PolarHBondContact OD2-N 2.92Å; N227-K229 PolarHBondContact O-N 3.5Å; N227-K229 VanDerWaalsContact O-N 3.1Å
228	N	96.8	Very high	98.4	Very high	123 Å²	123	35.5 Å²	35.5	66%	0.658	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.5	16.9	-175.9	-162.5	31.7	0	0	0	115.8	R225 K226	R225-N228 PolarHBondContact NH1-OD1 3.08Å; K226-N228 PolarHBondContact O-N 3.45Å
229	K	98.3	Very high	98.3	Very high	161 Å²	161	35.5 Å²	35.5	70%	0.7	17%	0.172	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	136	173.9	-65	-179.6	-178.9	-179.2	0	110.1	R225 K226 N227 V231	R225-K229 CarbonylContact C-O 3.54Å; R225-K229 WeakPolarHBondContact CA-O 3.14Å; K226-K229 PolarHBondContact N-O 2.88Å; K226-K229 PolarHBondContact O-N 3Å; N227-K229 PolarHBondContact O-N 3.5Å; N227-K229 VanDerWaalsContact O-N 3.1Å; K229-V231 PolarHBondContact O-N 3.11Å
230	T	98.6	Very high	98.3	Very high	51 Å²	51	35.4 Å²	35.4	31%	0.313	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	123.4	172.2	-62.3	0	0	0	0	110	D223 K233 P249	D223-T230 WeakPolarHBondContact OD1-CB 3.14Å; D223-T230 WeakPolarHBondContact OD1-CG2 3.42Å; D223-T230 PolarHBondContact OD1-OG1 2.83Å; D223-T230 PolarHBondContact OD2-OG1 3.24Å; T230-K233 HydrophobicContact CG2-CG 3.89Å; T230-P249 HydrophobicContact CG2-CG 4.06Å
231	V	98.6	Very high	98.2	Very high	31 Å²	31	35.4 Å²	35.4	19%	0.188	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-53.3	169.1	179.2	0	0	0	0	108.9	L86 F224 K226 K229 K248 E291	L86-V231 HydrophobicContact CD1-CB 4.27Å; L86-V231 HydrophobicContact CD1-CG2 3.9Å; F224-V231 PolarHBondContact O-N 3.28Å; K226-V231 HydrophobicContact CB-CG2 3.69Å; K229-V231 PolarHBondContact O-N 3.11Å; V231-K248 WeakPolarHBondContact O-CG 3.3Å; V231-E291 HydrophobicContact CG1-CG 4.43Å; V231-E291 WeakPolarHBondContact CG1-O 3.4Å
232	F	98.9	Very high	98.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	164.7	175.5	77.4	-83.7	0	0	0	110.3	F224 M243 I247 K248 L290 E291	F224-F232 HydrophobicContact CB-CD1 3.7Å; F224-F232 HydrophobicContact CB-CE1 3.41Å; F224-F232 VanDerWaalsContact CB-CE1 3.41Å; F224-F232 HydrophobicContact CB-CG 4.36Å; F224-F232 HydrophobicContact CB-CZ 3.86Å; F224-F232 AromaticContact CD1-CE1 4Å; F224-F232 HydrophobicContact CD1-CE1 4Å; F224-F232 AromaticContact CD1-CZ 3.97Å; F224-F232 HydrophobicContact CD1-CZ 3.97Å; F224-F232 HydrophobicContact CD2-CD1 4.34Å; F224-F232 HydrophobicContact CD2-CD2 4.16Å; F224-F232 AromaticContact CD2-CE1 3.63Å; F224-F232 HydrophobicContact CD2-CE1 3.63Å; F224-F232 AromaticContact CD2-CE2 3.4Å; F224-F232 HydrophobicContact CD2-CE2 3.4Å; F224-F232 VanDerWaalsContact CD2-CE2 3.4Å; F224-F232 AromaticContact CD2-CZ 3.06Å; F224-F232 HydrophobicContact CD2-CZ 3.06Å; F224-F232 HydrophobicContact CE1-CZ 4.33Å; F224-F232 HydrophobicContact CE2-CE1 4.38Å; F224-F232 AromaticContact CE2-CE2 3.79Å; F224-F232 HydrophobicContact CE2-CE2 3.79Å; F224-F232 AromaticContact CE2-CZ 3.48Å; F224-F232 HydrophobicContact CE2-CZ 3.48Å; F224-F232 VanDerWaalsContact CE2-CZ 3.48Å; F224-F232 HydrophobicContact CG-CD1 4.14Å; F224-F232 AromaticContact CG-CE1 3.38Å; F224-F232 HydrophobicContact CG-CE1 3.38Å; F224-F232 HydrophobicContact CG-CE2 4.08Å; F224-F232 AromaticContact CG-CZ 3.33Å; F224-F232 HydrophobicContact CG-CZ 3.33Å; F224-F232 HydrophobicContact CZ-CZ 4.11Å; F224-F232 PolarHBondContact N-O 2.88Å; F232-M243 HydrophobicContact CE2-CG 4.14Å; F232-M243 HydrophobicContact CE2-SD 4.19Å; F232-M243 HydrophobicContact CZ-CG 4.38Å; F232-I247 CarbonylContact C-O 3.51Å; F232-I247 WeakPolarHBondContact CA-O 3.48Å; F232-I247 WeakPolarHBondContact CB-O 3.26Å; F232-K248 HydrophobicContact CB-CB 4.48Å; F232-L290 HydrophobicContact CB-CB 4.26Å; F232-L290 HydrophobicContact CD1-CB 4.25Å; F232-L290 HydrophobicContact CD2-CB 3.72Å; F232-L290 HydrophobicContact CD2-CD1 4.01Å; F232-L290 HydrophobicContact CD2-CD2 4.35Å; F232-L290 HydrophobicContact CD2-CG 4.25Å; F232-L290 HydrophobicContact CE2-CB 4.1Å; F232-L290 HydrophobicContact CE2-CD1 4.11Å; F232-L290 HydrophobicContact CG-CB 3.82Å; F232-E291 HydrophobicContact CD1-CB 4.38Å; F232-E291 HydrophobicContact CE1-CB 4.14Å; F232-E291 HydrophobicContact CE1-CG 4.45Å
233	K	98.9	Very high	98.1	Very high	49 Å²	49	35.3 Å²	35.3	21%	0.213	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	151.8	174.3	-55.8	171.5	-174.9	170.9	0	110	W81 L222 T230 G246 I247 G412 L414	W81-K233 HydrophobicContact CH2-CB 4.01Å; W81-K233 HydrophobicContact CH2-CD 3.77Å; W81-K233 HydrophobicContact CH2-CG 4.18Å; W81-K233 HydrophobicContact CZ3-CB 4.08Å; W81-K233 HydrophobicContact CZ3-CD 4.06Å; W81-K233 HydrophobicContact CZ3-CG 4.08Å; L222-K233 CarbonylContact O-C 3.55Å; L222-K233 WeakPolarHBondContact O-CA 2.83Å; T230-K233 HydrophobicContact CG2-CG 3.89Å; K233-G246 CarbonylContact O-C 3.5Å; K233-G246 WeakPolarHBondContact O-CA 3.16Å; K233-I247 HydrophobicContact CB-CG2 3.81Å; K233-I247 HydrophobicContact CD-CG2 4.49Å; K233-I247 PolarHBondContact N-O 3.26Å; K233-I247 PolarHBondContact O-N 2.9Å; K233-G412 PolarHBondContact NZ-O 2.86Å; K233-L414 HydrophobicContact CB-CD1 4.34Å
234	S	98.8	Very high	97.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	146.3	-177.5	169.6	0	0	0	0	111.8	N221 L222 M243 T245	N221-S234 CarbonylContact C-O 3.46Å; N221-S234 VanDerWaalsContact CA-O 3.3Å; N221-S234 WeakPolarHBondContact CA-O 3.28Å; L222-S234 PolarHBondContact N-O 3.38Å; L222-S234 PolarHBondContact O-N 3.33Å; S234-M243 VanDerWaalsContact CB-SD 3.55Å; S234-M243 PolarHBondContact OG-SD 3.37Å; S234-T245 WeakPolarHBondContact CA-O 3.29Å; S234-T245 WeakPolarHBondContact CB-O 3.41Å; S234-T245 PolarHBondContact OG-O 3.05Å
235	T	98.8	Very high	97.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.2	160.7	-52.1	0	0	0	0	107.3	V219 N221 T245 Y403 T405 S416	V219-T235 HydrophobicContact CG1-CG2 4Å; N221-T235 PolarHBondContact OD1-OG1 2.85Å; T235-T245 PolarHBondContact N-O 2.76Å; T235-Y403 HydrophobicContact CG2-CD1 4.21Å; T235-Y403 HydrophobicContact CG2-CD2 3.66Å; T235-Y403 HydrophobicContact CG2-CE1 4.17Å; T235-Y403 HydrophobicContact CG2-CE2 3.65Å; T235-Y403 HydrophobicContact CG2-CG 3.95Å; T235-Y403 PolarHBondContact O-OH 3.13Å; T235-T405 VanDerWaalsContact CB-OG1 3.25Å; T235-T405 WeakPolarHBondContact CB-OG1 3.3Å; T235-T405 WeakPolarHBondContact OG1-CG2 3.06Å; T235-T405 PolarHBondContact OG1-OG1 3.12Å; T235-S416 WeakPolarHBondContact OG1-CB 3.35Å
236	N	97	Very high	97.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	-177.4	-172.9	-151.5	9.1	0	0	0	113.6	V219 V220 L222 Y240 G242 M243	V219-N236 CarbonylContact C-O 3.45Å; V219-N236 WeakPolarHBondContact CA-O 3.39Å; V220-N236 PolarHBondContact N-O 3.05Å; V220-N236 PolarHBondContact O-N 2.87Å; L222-N236 HydrophobicContact CD1-CB 3.71Å; L222-N236 HydrophobicContact CG-CB 4.37Å; N236-Y240 PolarHBondContact ND2-O 2.74Å; N236-Y240 WeakPolarHBondContact OD1-CD1 3.43Å; N236-G242 PolarHBondContact ND2-O 3.23Å; N236-M243 HydrophobicContact CB-SD 4.43Å; N236-M243 WeakPolarHBondContact ND2-CE 3.44Å; N236-M243 PolarHBondContact ND2-SD 2.82Å
237	F	97.7	Very high	97.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	135.8	171.2	-59.5	-72.8	0	0	0	111.7	Y169 L194 L215 L218 V219 G239 Y240 T402 Y403	Y169-F237 HydrophobicContact CD1-CD2 4.35Å; Y169-F237 HydrophobicContact CD1-CE2 4.33Å; Y169-F237 AromaticContact CE1-CD2 3.4Å; Y169-F237 HydrophobicContact CE1-CD2 3.4Å; Y169-F237 AromaticContact CE1-CE2 3.42Å; Y169-F237 HydrophobicContact CE1-CE2 3.42Å; Y169-F237 VanDerWaalsContact CE1-CE2 3.42Å; Y169-F237 HydrophobicContact CE1-CG 4.36Å; Y169-F237 HydrophobicContact CE1-CZ 4.4Å; Y169-F237 HydrophobicContact CE2-CD2 4.45Å; Y169-F237 AromaticContact CZ-CD2 3.45Å; Y169-F237 VanDerWaalsContact CZ-CD2 3.45Å; Y169-F237 AromaticContact CZ-CE2 3.93Å; Y169-F237 WeakPolarHBondContact OH-CD2 3.36Å; Y169-F237 VanDerWaalsContact OH-CG 3.31Å; Y169-F237 WeakPolarHBondContact OH-CG 3.34Å; L194-F237 HydrophobicContact CD2-CE2 3.6Å; L194-F237 HydrophobicContact CD2-CZ 3.54Å; L215-F237 HydrophobicContact CB-CD1 4.25Å; L215-F237 HydrophobicContact CB-CE1 3.75Å; L215-F237 HydrophobicContact CB-CZ 4.33Å; L215-F237 HydrophobicContact CD1-CE1 4.33Å; L215-F237 HydrophobicContact CD1-CZ 4.15Å; L215-F237 HydrophobicContact CD2-CD1 4.2Å; L215-F237 HydrophobicContact CD2-CE1 4.39Å; L215-F237 HydrophobicContact CD2-CG 4.48Å; L215-F237 HydrophobicContact CG-CE1 4.39Å; L218-F237 HydrophobicContact CB-CB 4.49Å; L218-F237 HydrophobicContact CB-CD1 4.29Å; L218-F237 CarbonylContact O-C 3.58Å; L218-F237 WeakPolarHBondContact O-CA 3.49Å; V219-F237 HydrophobicContact CG2-CD1 3.93Å; V219-F237 HydrophobicContact CG2-CE1 3.49Å; V219-F237 VanDerWaalsContact CG2-CE1 3.49Å; V219-F237 HydrophobicContact CG2-CZ 4.48Å; F237-G239 PolarHBondContact O-N 2.79Å; F237-Y240 PolarHBondContact O-N 3.09Å; F237-Y240 VanDerWaalsContact O-N 3.09Å; F237-T402 HydrophobicContact CZ-CG2 4.32Å; F237-Y403 HydrophobicContact CE1-CD1 4.35Å; F237-Y403 HydrophobicContact CE1-CE1 4.43Å; F237-Y403 HydrophobicContact CE2-CE1 4.1Å; F237-Y403 HydrophobicContact CZ-CD1 4.08Å; F237-Y403 AromaticContact CZ-CE1 3.86Å; F237-Y403 HydrophobicContact CZ-CE1 3.86Å
238	A	98.2	Very high	98	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	126.2	170.2	0	0	0	0	0	110.1	L97 I98 K101 L218	L97-A238 HydrophobicContact CD1-CB 4.04Å; L97-A238 HydrophobicContact CD2-CB 3.97Å; L97-A238 HydrophobicContact CG-CB 4.01Å; I98-A238 HydrophobicContact CD1-CB 4.47Å; K101-A238 HydrophobicContact CB-CB 3.8Å; K101-A238 HydrophobicContact CG-CB 3.88Å; L218-A238 HydrophobicContact CD2-CB 3.92Å; L218-A238 PolarHBondContact O-N 2.83Å
239	G	96.3	Very high	98	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.08	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.8	-8	-174.2	0	0	0	0	0	114.7	N166 F237	N166-G239 PolarHBondContact ND2-O 3.16Å; F237-G239 PolarHBondContact O-N 2.79Å
240	Y	97.4	Very high	98	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.069	C	C	.	.			trans	-108.1	121	178.4	-172.7	-122.9	0	0	0	111.9	W94 N166 Y169 E170 N236 F237 G242 L244 S283	W94-Y240 WeakPolarHBondContact CH2-O 3.49Å; N166-Y240 HydrophobicContact CB-CD2 4.13Å; N166-Y240 HydrophobicContact CB-CE2 4.23Å; N166-Y240 WeakPolarHBondContact O-CE2 3.49Å; N166-Y240 WeakPolarHBondContact OD1-CA 3.25Å; N166-Y240 WeakPolarHBondContact OD1-CD2 3.22Å; Y169-Y240 VanDerWaalsContact CB-CZ 3.41Å; Y169-Y240 VanDerWaalsContact CB-OH 3.25Å; Y169-Y240 WeakPolarHBondContact CB-OH 3.28Å; Y169-Y240 HydrophobicContact CD2-CD1 4.2Å; Y169-Y240 AromaticContact CD2-CD2 3.33Å; Y169-Y240 HydrophobicContact CD2-CD2 3.33Å; Y169-Y240 HydrophobicContact CD2-CE1 4.31Å; Y169-Y240 AromaticContact CD2-CE2 3.49Å; Y169-Y240 HydrophobicContact CD2-CE2 3.49Å; Y169-Y240 VanDerWaalsContact CD2-CE2 3.49Å; Y169-Y240 AromaticContact CD2-CG 3.71Å; Y169-Y240 HydrophobicContact CD2-CG 3.71Å; Y169-Y240 AromaticContact CD2-CZ 3.94Å; Y169-Y240 AromaticContact CE2-CD2 3.88Å; Y169-Y240 HydrophobicContact CE2-CD2 3.88Å; Y169-Y240 HydrophobicContact CE2-CE2 4.46Å; Y169-Y240 AromaticContact CE2-CG 3.93Å; Y169-Y240 HydrophobicContact CE2-CG 3.93Å; Y169-Y240 HydrophobicContact CG-CD1 4.41Å; Y169-Y240 HydrophobicContact CG-CD2 4.09Å; Y169-Y240 HydrophobicContact CG-CE1 4.17Å; Y169-Y240 AromaticContact CG-CE2 3.86Å; Y169-Y240 HydrophobicContact CG-CE2 3.86Å; Y169-Y240 HydrophobicContact CG-CG 4.36Å; Y169-Y240 AromaticContact CG-CZ 3.85Å; E170-Y240 PolarHBondContact OE1-OH 3.36Å; N236-Y240 PolarHBondContact ND2-O 2.74Å; N236-Y240 WeakPolarHBondContact OD1-CD1 3.43Å; F237-Y240 PolarHBondContact O-N 3.09Å; F237-Y240 VanDerWaalsContact O-N 3.09Å; Y240-G242 WeakPolarHBondContact CD1-O 3.28Å; Y240-G242 VanDerWaalsContact CE1-O 3.26Å; Y240-G242 WeakPolarHBondContact CE1-O 3.3Å; Y240-L244 HydrophobicContact CE1-CD1 4.14Å; Y240-L244 HydrophobicContact CE1-CD2 3.85Å; Y240-L244 HydrophobicContact CE1-CG 3.84Å; Y240-S283 WeakPolarHBondContact OH-CB 3.41Å; Y240-S283 PolarHBondContact OH-OG 2.74Å
241	V	97.9	Very high	98	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.069	C	C	.	.			trans	-91.5	-22.8	-173.4	-57.4	0	0	0	0	113.5	W94 F144 E147 I148 I151 N166 M243 F284	W94-V241 HydrophobicContact CZ2-CB 4.4Å; W94-V241 HydrophobicContact CZ2-CG1 4.34Å; F144-V241 HydrophobicContact CB-CG2 4.15Å; F144-V241 HydrophobicContact CD1-CB 4.41Å; F144-V241 HydrophobicContact CD1-CG2 3.87Å; E147-V241 HydrophobicContact CB-CB 4.37Å; E147-V241 HydrophobicContact CB-CG1 3.72Å; I148-V241 HydrophobicContact CD1-CG2 3.84Å; I148-V241 HydrophobicContact CG1-CG1 3.93Å; I148-V241 HydrophobicContact CG1-CG2 3.75Å; I151-V241 HydrophobicContact CD1-CG1 3.43Å; I151-V241 VanDerWaalsContact CD1-CG1 3.43Å; N166-V241 WeakPolarHBondContact OD1-CG2 3.39Å; N166-V241 PolarHBondContact OD1-N 3.07Å; V241-M243 WeakPolarHBondContact O-CE 3Å; V241-F284 HydrophobicContact CG2-CE1 3.79Å; V241-F284 HydrophobicContact CG2-CZ 4.17Å
242	G	96.8	Very high	98	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.	S	Bend	trans	-71.9	164.2	170.4	0	0	0	0	0	112	N236 Y240	N236-G242 PolarHBondContact ND2-O 3.23Å; Y240-G242 WeakPolarHBondContact CD1-O 3.28Å; Y240-G242 VanDerWaalsContact CE1-O 3.26Å; Y240-G242 WeakPolarHBondContact CE1-O 3.3Å
243	M	97.6	Very high	98	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.061	C	C	.	.			trans	-118.6	140.6	177.5	-61.3	-64.2	128.7	0	0	110.6	W94 L222 F224 F232 S234 N236 V241 S283 T286 R287 L290	W94-M243 HydrophobicContact CH2-CE 4.06Å; W94-M243 HydrophobicContact CZ2-CE 4.27Å; L222-M243 HydrophobicContact CD1-CE 4.21Å; F224-M243 HydrophobicContact CE2-CE 3.96Å; F224-M243 HydrophobicContact CE2-SD 4.12Å; F224-M243 HydrophobicContact CZ-CE 3.75Å; F232-M243 HydrophobicContact CE2-CG 4.14Å; F232-M243 HydrophobicContact CE2-SD 4.19Å; F232-M243 HydrophobicContact CZ-CG 4.38Å; S234-M243 VanDerWaalsContact CB-SD 3.55Å; S234-M243 PolarHBondContact OG-SD 3.37Å; N236-M243 HydrophobicContact CB-SD 4.43Å; N236-M243 WeakPolarHBondContact ND2-CE 3.44Å; N236-M243 PolarHBondContact ND2-SD 2.82Å; V241-M243 WeakPolarHBondContact O-CE 3Å; M243-S283 PolarHBondContact N-O 3.13Å; M243-S283 WeakPolarHBondContact O-CA 3.33Å; M243-T286 HydrophobicContact CB-CG2 4.05Å; M243-T286 WeakPolarHBondContact O-CB 3.31Å; M243-T286 WeakPolarHBondContact O-CG2 3.48Å; M243-R287 HydrophobicContact CB-CB 4.14Å; M243-R287 HydrophobicContact CG-CB 3.72Å; M243-R287 HydrophobicContact CG-CG 4.07Å; M243-L290 HydrophobicContact CB-CD1 4.04Å; M243-L290 HydrophobicContact CG-CD1 4.38Å
244	L	96.2	Very high	98	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.05	C	C	.	.	S	Bend	trans	-115.7	-22	176.5	-47.6	175.9	0	0	0	112	Y169 T173 L194 Y240 T255 M256	Y169-L244 HydrophobicContact CD1-CD1 4.05Å; T173-L244 HydrophobicContact CG2-CD1 4.45Å; L194-L244 HydrophobicContact CD1-CB 4.02Å; L194-L244 HydrophobicContact CD1-CD1 3.57Å; L194-L244 HydrophobicContact CD1-CG 4.43Å; Y240-L244 HydrophobicContact CE1-CD1 4.14Å; Y240-L244 HydrophobicContact CE1-CD2 3.85Å; Y240-L244 HydrophobicContact CE1-CG 3.84Å; L244-T255 CarbonylContact O-C 3.52Å; L244-T255 VanDerWaalsContact O-CA 3.28Å; L244-T255 WeakPolarHBondContact O-CA 3.05Å; L244-M256 HydrophobicContact CD2-CE 3.19Å; L244-M256 HydrophobicContact CG-CE 4.37Å; L244-M256 PolarHBondContact O-N 2.96Å
245	T	98.6	Very high	98	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	127.7	-174.8	-61.2	0	0	0	0	109	R192 S234 T235 L254 T255 Y403 T405 M407	R192-T245 WeakPolarHBondContact CD-OG1 3.27Å; R192-T245 HydrophobicContact CG-CG2 4.12Å; R192-T245 PolarHBondContact NE-OG1 3.35Å; S234-T245 WeakPolarHBondContact CA-O 3.29Å; S234-T245 WeakPolarHBondContact CB-O 3.41Å; S234-T245 PolarHBondContact OG-O 3.05Å; T235-T245 PolarHBondContact N-O 2.76Å; T245-L254 CarbonylContact C-O 3.54Å; T245-L254 WeakPolarHBondContact CA-O 3.48Å; T245-T255 HydrophobicContact CG2-CG2 4.06Å; T245-Y403 PolarHBondContact OG1-OH 2.75Å; T245-Y403 VanDerWaalsContact OG1-OH 3.05Å; T245-T405 HydrophobicContact CG2-CG2 3.68Å; T245-M407 HydrophobicContact CG2-CE 4.19Å; T245-M407 HydrophobicContact CG2-SD 4.23Å
246	G	98.6	Very high	97.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.2	168.8	174.1	0	0	0	0	0	115.3	K233 T253 L254 M407	K233-G246 CarbonylContact O-C 3.5Å; K233-G246 WeakPolarHBondContact O-CA 3.16Å; G246-T253 CarbonylContact O-C 3.55Å; G246-T253 WeakPolarHBondContact O-CA 3.4Å; G246-L254 PolarHBondContact N-O 3.45Å; G246-L254 PolarHBondContact O-N 2.01Å; G246-M407 VanDerWaalsContact C-SD 3.53Å; G246-M407 VanDerWaalsContact O-SD 3.34Å
247	I	98.8	Very high	97.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132.5	176.7	-178.6	166.7	0	0	0	109.4	F232 K233 P249 T253 M407 Q408 L414	F232-I247 CarbonylContact C-O 3.51Å; F232-I247 WeakPolarHBondContact CA-O 3.48Å; F232-I247 WeakPolarHBondContact CB-O 3.26Å; K233-I247 HydrophobicContact CB-CG2 3.81Å; K233-I247 HydrophobicContact CD-CG2 4.49Å; K233-I247 PolarHBondContact N-O 3.26Å; K233-I247 PolarHBondContact O-N 2.9Å; I247-P249 WeakPolarHBondContact O-CD 3.47Å; I247-T253 HydrophobicContact CB-CG2 3.81Å; I247-T253 HydrophobicContact CD1-CG2 3.75Å; I247-T253 HydrophobicContact CG1-CG2 3.67Å; I247-M407 HydrophobicContact CB-SD 4.08Å; I247-M407 HydrophobicContact CD1-CB 4.44Å; I247-Q408 WeakPolarHBondContact CD1-O 3.29Å; I247-L414 HydrophobicContact CG2-CB 3.9Å; I247-L414 HydrophobicContact CG2-CD1 3.87Å
248	K	98.6	Very high	97.5	Very high	16 Å²	16	10.3 Å²	10.3	7%	0.07	5%	0.052	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	105.5	159.8	-163.1	169.1	-162.3	148.2	0	107.6	V231 F232 H250 L251 F252 L290 E291 A293	V231-K248 WeakPolarHBondContact O-CG 3.3Å; F232-K248 HydrophobicContact CB-CB 4.48Å; K248-H250 PolarHBondContact O-N 2.88Å; K248-L251 HydrophobicContact CB-CB 4.33Å; K248-L251 HydrophobicContact CD-CD1 3.77Å; K248-L251 HydrophobicContact CG-CB 4.32Å; K248-L251 HydrophobicContact CG-CD1 4.01Å; K248-L251 PolarHBondContact O-N 3.29Å; K248-F252 HydrophobicContact CB-CD1 4.21Å; K248-F252 HydrophobicContact CB-CD2 4.49Å; K248-F252 HydrophobicContact CB-CE1 3.93Å; K248-F252 HydrophobicContact CB-CE2 4.23Å; K248-F252 HydrophobicContact CB-CG 4.47Å; K248-F252 HydrophobicContact CB-CZ 3.94Å; K248-F252 HydrophobicContact CD-CE1 3.68Å; K248-F252 HydrophobicContact CD-CZ 3.93Å; K248-F252 HydrophobicContact CG-CE1 4.39Å; K248-F252 PolarHBondContact N-O 3.02Å; K248-F252 PolarHBondContact O-N 3.32Å; K248-F252 VanDerWaalsContact O-N 3.14Å; K248-L290 WeakPolarHBondContact CD-O 3.45Å; K248-L290 WeakPolarHBondContact CE-O 3.48Å; K248-L290 PolarHBondContact NZ-O 2.93Å; K248-E291 PolarHBondContact NZ-O 3.37Å; K248-A293 VanDerWaalsContact CD-O 3.25Å; K248-A293 WeakPolarHBondContact CD-O 3.48Å; K248-A293 VanDerWaalsContact CE-O 3.28Å; K248-A293 WeakPolarHBondContact CE-O 3.4Å; K248-A293 PolarHBondContact NZ-O 3.07Å
249	P	98.1	Very high	97.2	Very high	28 Å²	28	11.4 Å²	11.4	18%	0.182	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	132.6	-169.7	-31.3	36.8	0	0	0	113.1	T230 I247 L251	T230-P249 HydrophobicContact CG2-CG 4.06Å; I247-P249 WeakPolarHBondContact O-CD 3.47Å; P249-L251 PolarHBondContact O-N 2.7Å; P249-L251 VanDerWaalsContact O-N 3.07Å
250	H	97.3	Very high	96.6	Very high	104 Å²	104	16.7 Å²	16.7	48%	0.481	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	6.1	179.2	-42.7	-69.2	0	0	0	116.1	K248 N319 V409 S410	K248-H250 PolarHBondContact O-N 2.88Å; H250-N319 PolarHBondContact O-ND2 3.22Å; H250-V409 VanDerWaalsContact CA-O 3.29Å; H250-V409 WeakPolarHBondContact CA-O 3.46Å; H250-V409 PolarHBondContact N-O 3.11Å; H250-V409 VanDerWaalsContact N-O 3.07Å; H250-S410 PolarHBondContact CE1-O 3.31Å; H250-S410 VanDerWaalsContact CE1-O 3.31Å; H250-S410 PolarHBondContact ND1-O 2.96Å
251	L	98.3	Very high	95.9	Very high	61 Å²	61	18.7 Å²	18.7	32%	0.319	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	-64	179.1	-65.3	179.9	0	0	0	111.7	K248 P249 G318 N319	K248-L251 HydrophobicContact CB-CB 4.33Å; K248-L251 HydrophobicContact CD-CD1 3.77Å; K248-L251 HydrophobicContact CG-CB 4.32Å; K248-L251 HydrophobicContact CG-CD1 4.01Å; K248-L251 PolarHBondContact O-N 3.29Å; P249-L251 PolarHBondContact O-N 2.7Å; P249-L251 VanDerWaalsContact O-N 3.07Å; L251-G318 WeakPolarHBondContact O-CA 3.16Å; L251-N319 PolarHBondContact O-N 3.02Å
252	F	98.8	Very high	94.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	164.6	-179.4	62.8	-92.9	0	0	0	113.1	K248 L254 V289 L290 A293 A299 L316 G317	K248-F252 HydrophobicContact CB-CD1 4.21Å; K248-F252 HydrophobicContact CB-CD2 4.49Å; K248-F252 HydrophobicContact CB-CE1 3.93Å; K248-F252 HydrophobicContact CB-CE2 4.23Å; K248-F252 HydrophobicContact CB-CG 4.47Å; K248-F252 HydrophobicContact CB-CZ 3.94Å; K248-F252 HydrophobicContact CD-CE1 3.68Å; K248-F252 HydrophobicContact CD-CZ 3.93Å; K248-F252 HydrophobicContact CG-CE1 4.39Å; K248-F252 PolarHBondContact N-O 3.02Å; K248-F252 PolarHBondContact O-N 3.32Å; K248-F252 VanDerWaalsContact O-N 3.14Å; F252-L254 HydrophobicContact CD2-CB 4.4Å; F252-L254 HydrophobicContact CE2-CB 4.46Å; F252-V289 HydrophobicContact CE2-CG1 4.02Å; F252-V289 HydrophobicContact CZ-CG1 3.97Å; F252-L290 HydrophobicContact CE2-CD2 3.82Å; F252-L290 HydrophobicContact CE2-CG 4.43Å; F252-A293 HydrophobicContact CE1-CB 4.12Å; F252-A293 HydrophobicContact CZ-CB 4.14Å; F252-A299 HydrophobicContact CD1-CB 4.18Å; F252-A299 HydrophobicContact CD2-CB 4.34Å; F252-A299 HydrophobicContact CE1-CB 4.01Å; F252-A299 HydrophobicContact CE2-CB 4.17Å; F252-A299 HydrophobicContact CG-CB 4.35Å; F252-A299 HydrophobicContact CZ-CB 4.01Å; F252-L316 HydrophobicContact CB-CD1 4.21Å; F252-L316 HydrophobicContact CD2-CD1 3.75Å; F252-L316 HydrophobicContact CE2-CD1 4.48Å; F252-L316 HydrophobicContact CG-CD1 4.2Å; F252-G317 CarbonylContact C-O 3.47Å; F252-G317 WeakPolarHBondContact CA-O 3.27Å; F252-G317 VanDerWaalsContact CB-O 3.26Å; F252-G317 WeakPolarHBondContact CB-O 3.41Å
253	T	98.9	Very high	93.8	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	145.8	169.9	47.3	0	0	0	0	109	H190 G246 I247 L316 G317 M407 V409	H190-T253 HydrophobicContact CB-CG2 4.25Å; H190-T253 WeakPolarHBondContact CB-OG1 3.3Å; H190-T253 VanDerWaalsContact ND1-CB 3.28Å; H190-T253 WeakPolarHBondContact ND1-CB 3.37Å; H190-T253 PolarHBondContact ND1-OG1 3.47Å; G246-T253 CarbonylContact O-C 3.55Å; G246-T253 WeakPolarHBondContact O-CA 3.4Å; I247-T253 HydrophobicContact CB-CG2 3.81Å; I247-T253 HydrophobicContact CD1-CG2 3.75Å; I247-T253 HydrophobicContact CG1-CG2 3.67Å; T253-L316 WeakPolarHBondContact O-CA 3.02Å; T253-L316 WeakPolarHBondContact O-CD1 3Å; T253-G317 PolarHBondContact N-O 3.33Å; T253-G317 PolarHBondContact O-N 3.01Å; T253-G317 PolarHBondContact OG1-O 3.18Å; T253-M407 HydrophobicContact CG2-CB 3.49Å; T253-M407 VanDerWaalsContact CG2-CB 3.49Å; T253-M407 HydrophobicContact CG2-CE 4.1Å; T253-M407 HydrophobicContact CG2-CG 4.26Å; T253-M407 HydrophobicContact CG2-SD 3.88Å; T253-V409 HydrophobicContact CG2-CG2 3.5Å
254	L	98.9	Very high	92.7	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	130.3	-175.7	178.8	57	0	0	0	109.8	T245 G246 F252 T286 V289 L290 L303 F314 I315 L316	T245-L254 CarbonylContact C-O 3.54Å; T245-L254 WeakPolarHBondContact CA-O 3.48Å; G246-L254 PolarHBondContact N-O 3.45Å; G246-L254 PolarHBondContact O-N 2.01Å; F252-L254 HydrophobicContact CD2-CB 4.4Å; F252-L254 HydrophobicContact CE2-CB 4.46Å; L254-T286 HydrophobicContact CD2-CG2 3.65Å; L254-T286 HydrophobicContact CG-CG2 3.94Å; L254-V289 HydrophobicContact CD2-CB 4.28Å; L254-V289 HydrophobicContact CD2-CG1 4.02Å; L254-L290 HydrophobicContact CB-CD2 4.3Å; L254-L290 HydrophobicContact CD2-CG 4.37Å; L254-L303 HydrophobicContact CD1-CD1 3.52Å; L254-L303 HydrophobicContact CD1-CD2 4.41Å; L254-L303 HydrophobicContact CD2-CD1 3.98Å; L254-L303 HydrophobicContact CD2-CD2 4.11Å; L254-L303 HydrophobicContact CG-CD1 4.41Å; L254-F314 HydrophobicContact CD1-CB 4.19Å; L254-F314 HydrophobicContact CD1-CD1 4.32Å; L254-I315 WeakPolarHBondContact CA-O 3.34Å; L254-L316 HydrophobicContact CB-CD1 4.26Å; L254-L316 HydrophobicContact CD1-CD1 4.09Å
255	T	98.7	Very high	91.8	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	154.5	165.5	60.8	0	0	0	0	110.1	S177 H190 R192 L244 T245 I315 M407	S177-T255 WeakPolarHBondContact CB-OG1 3.37Å; S177-T255 PolarHBondContact OG-OG1 2.9Å; S177-T255 VanDerWaalsContact OG-OG1 3.14Å; H190-T255 PolarHBondContact CE1-OG1 2.95Å; H190-T255 VanDerWaalsContact NE2-CG2 3.33Å; H190-T255 WeakPolarHBondContact NE2-CG2 3.41Å; H190-T255 PolarHBondContact NE2-OG1 3.14Å; R192-T255 HydrophobicContact CB-CG2 4.06Å; R192-T255 HydrophobicContact CG-CG2 3.81Å; L244-T255 CarbonylContact O-C 3.52Å; L244-T255 VanDerWaalsContact O-CA 3.28Å; L244-T255 WeakPolarHBondContact O-CA 3.05Å; T245-T255 HydrophobicContact CG2-CG2 4.06Å; T255-I315 PolarHBondContact N-O 3.03Å; T255-I315 PolarHBondContact O-N 3.15Å; T255-I315 WeakPolarHBondContact OG1-CB 3.48Å; T255-M407 HydrophobicContact CG2-CE 3.78Å
256	M	96.1	Very high	90.7	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	133	179	-176.9	-76.9	-57	0	0	109.7	R192 L244 A312 Y313 F314	R192-M256 PolarHBondContact NH2-O 3.41Å; L244-M256 HydrophobicContact CD2-CE 3.19Å; L244-M256 HydrophobicContact CG-CE 4.37Å; L244-M256 PolarHBondContact O-N 2.96Å; M256-A312 HydrophobicContact CG-CB 4.11Å; M256-A312 HydrophobicContact SD-CB 4.21Å; M256-Y313 WeakPolarHBondContact CA-O 3.39Å; M256-F314 HydrophobicContact CB-CD1 3.98Å; M256-F314 HydrophobicContact CB-CE1 4.04Å; M256-F314 HydrophobicContact CG-CD1 3.85Å; M256-F314 HydrophobicContact CG-CE1 3.55Å
257	N	95.4	Very high	89.9	Confident	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.9	173.1	-59	8	0	0	0	109.6	C175 S177 R192 Y313 I315 E351 T352	C175-N257 HydrophobicContact CB-CB 3.72Å; C175-N257 WeakPolarHBondContact CB-ND2 3.45Å; C175-N257 VanDerWaalsContact CB-OD1 3.25Å; C175-N257 WeakPolarHBondContact CB-OD1 3.3Å; S177-N257 PolarHBondContact OG-OD1 3.33Å; R192-N257 PolarHBondContact NH2-OD1 3.37Å; N257-Y313 HydrophobicContact CB-CD2 4.22Å; N257-Y313 PolarHBondContact N-O 3.49Å; N257-Y313 PolarHBondContact O-N 3.13Å; N257-I315 HydrophobicContact CB-CD1 4.26Å; N257-E351 PolarHBondContact ND2-O 2.87Å; N257-T352 VanDerWaalsContact CB-O 3.27Å; N257-T352 WeakPolarHBondContact CB-O 3.42Å; N257-T352 PolarHBondContact ND2-O 3.48Å
258	E	91.2	Very high	89.1	Confident	7 Å²	7	38.4 Å²	38.4	3%	0.033	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.1	141.1	174.3	-172	59.6	-146.3	0	0	111.5	T173 F260 M282 N353	T173-E258 WeakPolarHBondContact O-CB 3.46Å; T173-E258 WeakPolarHBondContact OG1-CB 3.08Å; E258-F260 HydrophobicContact CB-CZ 4.45Å; E258-F260 HydrophobicContact CG-CD1 4.28Å; E258-F260 HydrophobicContact CG-CE1 3.8Å; E258-F260 HydrophobicContact CG-CE2 4.36Å; E258-F260 HydrophobicContact CG-CZ 3.84Å; E258-M282 WeakPolarHBondContact OE2-CE 3.39Å; E258-N353 PolarHBondContact O-ND2 3.49Å
259	R	92.4	Very high	88.3	Confident	22 Å²	22	39 Å²	39	8%	0.083	20%	0.196	C	C	.	.			trans	-122.7	115.4	172.1	176.5	171.4	-172.9	-78.5	-9	110.6	P311 Y313 R329 D355	R259-P311 HydrophobicContact CB-CB 3.98Å; R259-P311 HydrophobicContact CG-CB 4Å; R259-P311 PolarHBondContact N-O 2.98Å; R259-P311 WeakPolarHBondContact O-CB 3.38Å; R259-P311 VanDerWaalsContact O-CG 3.29Å; R259-P311 WeakPolarHBondContact O-CG 3.26Å; R259-Y313 HydrophobicContact CB-CD2 3.76Å; R259-Y313 HydrophobicContact CB-CE2 3.37Å; R259-Y313 HydrophobicContact CB-CG 4.48Å; R259-Y313 VanDerWaalsContact CD-CZ 3.49Å; R259-Y313 WeakPolarHBondContact CD-OH 3.26Å; R259-Y313 HydrophobicContact CG-CD2 4.42Å; R259-Y313 HydrophobicContact CG-CE1 4.24Å; R259-Y313 HydrophobicContact CG-CE2 3.65Å; R259-Y313 WeakPolarHBondContact CG-OH 2.82Å; R259-Y313 PolarHBondContact NE-OH 2.88Å; R259-R329 WeakPolarHBondContact CD-O 3.22Å; R259-D355 IonicContact CZ-OD1 3.32Å; R259-D355 IonicContact CZ-OD2 3.92Å; R259-D355 IonicContact NE-OD1 3.27Å; R259-D355 PolarHBondContact NE-OD1 3.33Å; R259-D355 IonicContact NH2-OD1 3.03Å; R259-D355 PolarHBondContact NH2-OD1 2.67Å; R259-D355 IonicContact NH2-OD2 2.93Å; R259-D355 PolarHBondContact NH2-OD2 3.49Å
260	F	85.1	Confident	87.5	Confident	111 Å²	111	42.4 Å²	42.4	49%	0.487	21%	0.212	S	C	.	.			trans	-77.2	130.6	-179.8	-58.2	-73.2	0	0	0	112.3	E258 N353	E258-F260 HydrophobicContact CB-CZ 4.45Å; E258-F260 HydrophobicContact CG-CD1 4.28Å; E258-F260 HydrophobicContact CG-CE1 3.8Å; E258-F260 HydrophobicContact CG-CE2 4.36Å; E258-F260 HydrophobicContact CG-CZ 3.84Å; F260-N353 HydrophobicContact CE2-CB 4.2Å
261	S	80.8	Confident	87	Confident	43 Å²	43	39.2 Å²	39.2	30%	0.301	20%	0.197	S	C	.	.			trans	-151.7	155.7	176	121.5	0	0	0	0	110.8	D263 G264	S261-D263 PolarHBondContact O-N 2.84Å; S261-D263 WeakPolarHBondContact OG-CA 3.41Å; S261-D263 PolarHBondContact OG-N 3.35Å; S261-D263 PolarHBondContact OG-O 2.68Å; S261-G264 WeakPolarHBondContact O-CA 3.24Å; S261-G264 PolarHBondContact O-N 2.82Å
262	L	75.3	Confident	86.5	Confident	162 Å²	162	36.7 Å²	36.7	85%	0.848	18%	0.183	S	C	*	.	S	Bend	trans	-63.5	-25.7	173.2	-68.9	175.4	0	0	0	112.2	G264 Y266	L262-G264 VanDerWaalsContact C-N 3.35Å; L262-G264 PolarHBondContact O-N 3.21Å; L262-Y266 PolarHBondContact O-OH 3.02Å
263	D	75.3	Confident	85.7	Confident	66 Å²	66	41.5 Å²	41.5	35%	0.353	21%	0.208	S	C	.	.	S	Bend	trans	-97.6	67.3	167	-175	23.9	0	0	0	108.7	S261 P311 R331	S261-D263 PolarHBondContact O-N 2.84Å; S261-D263 WeakPolarHBondContact OG-CA 3.41Å; S261-D263 PolarHBondContact OG-N 3.35Å; S261-D263 PolarHBondContact OG-O 2.68Å; D263-P311 WeakPolarHBondContact O-CG 3.41Å; D263-R331 VanDerWaalsContact CG-CD 3.48Å; D263-R331 WeakPolarHBondContact O-CD 3.48Å; D263-R331 WeakPolarHBondContact OD1-CD 3.41Å; D263-R331 IonicContact OD1-CZ 3.76Å; D263-R331 IonicContact OD1-NE 2.75Å; D263-R331 IonicContact OD1-NH1 2.96Å; D263-R331 PolarHBondContact OD1-NH1 2.93Å; D263-R331 IonicContact OD2-NH1 3.84Å
264	G	74.6	Confident	85	Confident	5 Å²	5	48.1 Å²	48.1	5%	0.052	24%	0.24	C	C	.	.			trans	-96.5	-177.7	-171.5	0	0	0	0	0	113.7	S261 L262 Y266 I267	S261-G264 WeakPolarHBondContact O-CA 3.24Å; S261-G264 PolarHBondContact O-N 2.82Å; L262-G264 VanDerWaalsContact C-N 3.35Å; L262-G264 PolarHBondContact O-N 3.21Å; G264-Y266 PolarHBondContact O-N 3.29Å; G264-Y266 VanDerWaalsContact O-N 3.12Å; G264-I267 PolarHBondContact O-N 3.43Å
265	G	77.1	Confident	84.5	Confident	6 Å²	6	50.2 Å²	50.2	6%	0.062	26%	0.262	C	S	.	.	H	α-helix	trans	-59.3	-26.1	-176.5	0	0	0	0	0	115.7	I267 G268 I269 A310	G265-I267 VanDerWaalsContact C-N 3.28Å; G265-I267 PolarHBondContact O-N 3.02Å; G265-G268 PolarHBondContact O-N 3.33Å; G265-I269 VanDerWaalsContact O-CG1 3.32Å; G265-I269 WeakPolarHBondContact O-CG1 3.31Å; G265-I269 PolarHBondContact O-N 2.96Å; G265-A310 VanDerWaalsContact CA-CB 3.45Å
266	Y	76.5	Confident	84	Confident	124 Å²	124	55.3 Å²	55.3	49%	0.486	29%	0.286	S	S	.	.	H	α-helix	trans	-62	-35.4	175	62.5	-91.2	0	0	0	112.6	L262 G264 L270	L262-Y266 PolarHBondContact O-OH 3.02Å; G264-Y266 PolarHBondContact O-N 3.29Å; G264-Y266 VanDerWaalsContact O-N 3.12Å; Y266-L270 VanDerWaalsContact O-CG 3.29Å; Y266-L270 WeakPolarHBondContact O-CG 3.17Å; Y266-L270 PolarHBondContact O-N 3.27Å; Y266-L270 VanDerWaalsContact O-N 3.09Å
267	I	82.1	Confident	83.7	Confident	49 Å²	49	60.8 Å²	60.8	25%	0.251	31%	0.307	S	S	.	.	H	α-helix	trans	-68.6	-46.4	176	-55	-165.6	0	0	0	109.4	G264 G265 I269 L270 E271 R331	G264-I267 PolarHBondContact O-N 3.43Å; G265-I267 VanDerWaalsContact C-N 3.28Å; G265-I267 PolarHBondContact O-N 3.02Å; I267-I269 VanDerWaalsContact C-N 3.31Å; I267-I269 PolarHBondContact O-N 2.99Å; I267-L270 PolarHBondContact O-N 2.78Å; I267-L270 VanDerWaalsContact O-N 3.13Å; I267-E271 HydrophobicContact CG2-CG 4.39Å; I267-E271 WeakPolarHBondContact CG2-OE1 3.12Å; I267-E271 WeakPolarHBondContact O-CG 3.4Å; I267-E271 PolarHBondContact O-N 3.32Å; I267-R331 VanDerWaalsContact CG2-NH1 3.33Å
268	G	82.6	Confident	83.5	Confident	2 Å²	2	66 Å²	66	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-59	-39.4	177	0	0	0	0	0	113.6	G265 W272 L309	G265-G268 PolarHBondContact O-N 3.33Å; G268-W272 WeakPolarHBondContact O-CB 3.27Å; G268-W272 PolarHBondContact O-N 3.41Å; G268-L309 WeakPolarHBondContact CA-O 3.34Å
269	I	81.8	Confident	83.4	Confident	29 Å²	29	66.1 Å²	66.1	15%	0.149	34%	0.338	C	S	.	.	H	α-helix	trans	-66.5	-42	175.4	-67.4	162.1	0	0	0	111	M136 I167 V171 G265 I267 W272 I273	M136-I269 HydrophobicContact CE-CG2 4.46Å; I167-I269 HydrophobicContact CG2-CD1 3.68Å; V171-I269 HydrophobicContact CG2-CD1 4.2Å; G265-I269 VanDerWaalsContact O-CG1 3.32Å; G265-I269 WeakPolarHBondContact O-CG1 3.31Å; G265-I269 PolarHBondContact O-N 2.96Å; I267-I269 VanDerWaalsContact C-N 3.31Å; I267-I269 PolarHBondContact O-N 2.99Å; I269-W272 WeakPolarHBondContact O-CB 3.25Å; I269-W272 PolarHBondContact O-N 2.89Å; I269-I273 HydrophobicContact CG2-CD1 3.97Å; I269-I273 VanDerWaalsContact O-CG1 3.32Å; I269-I273 WeakPolarHBondContact O-CG1 3.44Å; I269-I273 PolarHBondContact O-N 2.87Å
270	L	80.6	Confident	83.3	Confident	100 Å²	100	67 Å²	67	52%	0.524	34%	0.343	S	S	.	.	H	α-helix	trans	-63.9	-45.7	176.8	-73.1	171.8	0	0	0	111.7	Y266 I267 W272 I273 M274	Y266-L270 VanDerWaalsContact O-CG 3.29Å; Y266-L270 WeakPolarHBondContact O-CG 3.17Å; Y266-L270 PolarHBondContact O-N 3.27Å; Y266-L270 VanDerWaalsContact O-N 3.09Å; I267-L270 PolarHBondContact O-N 2.78Å; I267-L270 VanDerWaalsContact O-N 3.13Å; L270-W272 VanDerWaalsContact C-N 3.3Å; L270-W272 PolarHBondContact O-N 3.29Å; L270-I273 PolarHBondContact O-N 2.85Å; L270-M274 HydrophobicContact CB-CE 4.46Å; L270-M274 WeakPolarHBondContact O-CG 3.37Å; L270-M274 PolarHBondContact O-N 2.85Å
271	E	86.1	Confident	83.7	Confident	37 Å²	37	61.9 Å²	61.9	17%	0.173	32%	0.321	C	S	.	.	H	α-helix	trans	-56.6	-44	173.8	-78.1	177.4	-152.5	0	0	111.6	I267 I273 M274 G275 Q276 R331	I267-E271 HydrophobicContact CG2-CG 4.39Å; I267-E271 WeakPolarHBondContact CG2-OE1 3.12Å; I267-E271 WeakPolarHBondContact O-CG 3.4Å; I267-E271 PolarHBondContact O-N 3.32Å; E271-I273 PolarHBondContact O-N 2.92Å; E271-M274 HydrophobicContact CG-CE 4.47Å; E271-M274 CarbonylContact O-C 3.55Å; E271-M274 PolarHBondContact O-N 3.14Å; E271-M274 VanDerWaalsContact O-N 3.15Å; E271-G275 PolarHBondContact O-N 3.14Å; E271-G275 VanDerWaalsContact O-N 3.09Å; E271-Q276 CarbonylContact C-O 3.57Å; E271-Q276 HydrophobicContact CB-CB 4.09Å; E271-Q276 PolarHBondContact O-N 2.95Å; E271-R331 IonicContact OE1-CZ 2.81Å; E271-R331 IonicContact OE1-NH1 3.36Å; E271-R331 PolarHBondContact OE1-NH1 3.39Å; E271-R331 IonicContact OE1-NH2 2.78Å; E271-R331 PolarHBondContact OE1-NH2 3.28Å; E271-R331 IonicContact OE2-CZ 3.9Å; E271-R331 IonicContact OE2-NH1 2.75Å; E271-R331 IonicContact OE2-NH2 2.64Å; E271-R331 PolarHBondContact OE2-NH2 3.36Å
272	W	87.8	Confident	84.3	Confident	8 Å²	8	59.9 Å²	59.9	3%	0.03	31%	0.307	C	S	.	.	H	α-helix	trans	-59.2	-45.6	176.6	-172.2	-77.8	0	0	0	112.9	M136 T139 L140 G268 I269 L270 M274 G275 Q276 R277 G279 L309	M136-W272 HydrophobicContact CE-CB 4.5Å; M136-W272 VanDerWaalsContact CE-CD1 3.43Å; M136-W272 HydrophobicContact CE-CG 3.99Å; T139-W272 VanDerWaalsContact O-CZ2 3.31Å; T139-W272 WeakPolarHBondContact O-CZ2 3.48Å; T139-W272 PolarHBondContact OG1-NE1 3.19Å; L140-W272 HydrophobicContact CD2-CZ2 3.86Å; G268-W272 WeakPolarHBondContact O-CB 3.27Å; G268-W272 PolarHBondContact O-N 3.41Å; I269-W272 WeakPolarHBondContact O-CB 3.25Å; I269-W272 PolarHBondContact O-N 2.89Å; L270-W272 VanDerWaalsContact C-N 3.3Å; L270-W272 PolarHBondContact O-N 3.29Å; W272-M274 VanDerWaalsContact C-N 3.3Å; W272-M274 PolarHBondContact O-N 2.76Å; W272-G275 PolarHBondContact O-N 2.86Å; W272-G275 VanDerWaalsContact O-N 3.09Å; W272-Q276 WeakPolarHBondContact CA-O 3.26Å; W272-Q276 PolarHBondContact N-O 2.84Å; W272-R277 HydrophobicContact CD2-CB 4.19Å; W272-R277 HydrophobicContact CD2-CG 3.7Å; W272-R277 HydrophobicContact CE3-CB 3.89Å; W272-R277 HydrophobicContact CE3-CG 3.9Å; W272-R277 HydrophobicContact CG-CG 4.06Å; W272-R277 HydrophobicContact CH2-CB 4.09Å; W272-R277 HydrophobicContact CH2-CG 4.45Å; W272-R277 HydrophobicContact CZ2-CB 4.36Å; W272-R277 HydrophobicContact CZ2-CG 4.26Å; W272-R277 HydrophobicContact CZ3-CB 3.85Å; W272-R277 HydrophobicContact CZ3-CG 4.28Å; W272-R277 PolarHBondContact O-NE 2.93Å; W272-R277 VanDerWaalsContact O-NE 3.12Å; W272-G279 WeakPolarHBondContact CZ3-O 3.21Å; W272-L309 HydrophobicContact CB-CD2 4.33Å; W272-L309 HydrophobicContact CD2-CD2 4.37Å; W272-L309 HydrophobicContact CE3-CD1 3.91Å; W272-L309 HydrophobicContact CE3-CD2 3.9Å; W272-L309 HydrophobicContact CE3-CG 4.35Å; W272-L309 HydrophobicContact CZ3-CD1 4.1Å
273	I	82.9	Confident	85.2	Confident	100 Å²	100	52.1 Å²	52.1	51%	0.513	27%	0.266	S	S	.	.	H	α-helix	trans	-63.9	-37.9	177	-68.8	167.1	0	0	0	110.4	I269 L270 E271 G275	I269-I273 HydrophobicContact CG2-CD1 3.97Å; I269-I273 VanDerWaalsContact O-CG1 3.32Å; I269-I273 WeakPolarHBondContact O-CG1 3.44Å; I269-I273 PolarHBondContact O-N 2.87Å; L270-I273 PolarHBondContact O-N 2.85Å; E271-I273 PolarHBondContact O-N 2.92Å; I273-G275 PolarHBondContact O-N 3.2Å
274	M	84.6	Confident	86.2	Confident	139 Å²	139	49 Å²	49	69%	0.685	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.4	-0	175.2	-66.6	-174.4	-64.3	0	0	113.9	L270 E271 W272	L270-M274 HydrophobicContact CB-CE 4.46Å; L270-M274 WeakPolarHBondContact O-CG 3.37Å; L270-M274 PolarHBondContact O-N 2.85Å; E271-M274 HydrophobicContact CG-CE 4.47Å; E271-M274 CarbonylContact O-C 3.55Å; E271-M274 PolarHBondContact O-N 3.14Å; E271-M274 VanDerWaalsContact O-N 3.15Å; W272-M274 VanDerWaalsContact C-N 3.3Å; W272-M274 PolarHBondContact O-N 2.76Å
275	G	86.7	Confident	87.3	Confident	44 Å²	44	48.8 Å²	48.8	45%	0.454	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	97.2	0.6	174	0	0	0	0	0	115.4	E271 W272 I273 R277	E271-G275 PolarHBondContact O-N 3.14Å; E271-G275 VanDerWaalsContact O-N 3.09Å; W272-G275 PolarHBondContact O-N 2.86Å; W272-G275 VanDerWaalsContact O-N 3.09Å; I273-G275 PolarHBondContact O-N 3.2Å; G275-R277 PolarHBondContact O-N 3.02Å
276	Q	88.5	Confident	88.3	Confident	108 Å²	108	48.5 Å²	48.5	51%	0.505	24%	0.244	S	C	.	.			trans	-84.1	98.7	172.3	-64.1	-179.5	15.7	0	0	109.4	E271 W272	E271-Q276 CarbonylContact C-O 3.57Å; E271-Q276 HydrophobicContact CB-CB 4.09Å; E271-Q276 PolarHBondContact O-N 2.95Å; W272-Q276 WeakPolarHBondContact CA-O 3.26Å; W272-Q276 PolarHBondContact N-O 2.84Å
277	R	91.1	Very high	89.3	Confident	115 Å²	115	42.7 Å²	42.7	43%	0.434	22%	0.221	S	C	.	.			trans	-124.6	35.1	-169	-56.7	-179	-172.4	148	2.2	113	T139 W272 G275	T139-R277 VanDerWaalsContact CB-CZ 3.44Å; T139-R277 VanDerWaalsContact CG2-NH2 3.3Å; W272-R277 HydrophobicContact CD2-CB 4.19Å; W272-R277 HydrophobicContact CD2-CG 3.7Å; W272-R277 HydrophobicContact CE3-CB 3.89Å; W272-R277 HydrophobicContact CE3-CG 3.9Å; W272-R277 HydrophobicContact CG-CG 4.06Å; W272-R277 HydrophobicContact CH2-CB 4.09Å; W272-R277 HydrophobicContact CH2-CG 4.45Å; W272-R277 HydrophobicContact CZ2-CB 4.36Å; W272-R277 HydrophobicContact CZ2-CG 4.26Å; W272-R277 HydrophobicContact CZ3-CB 3.85Å; W272-R277 HydrophobicContact CZ3-CG 4.28Å; W272-R277 PolarHBondContact O-NE 2.93Å; W272-R277 VanDerWaalsContact O-NE 3.12Å; G275-R277 PolarHBondContact O-N 3.02Å
278	D	89.6	Confident	90.1	Very high	108 Å²	108	41.7 Å²	41.7	58%	0.578	22%	0.218	S	C	*	.			trans	-90.4	-9.6	-178.7	68.4	-27.5	0	0	0	113.6	K307	D278-K307 IonicContact OD1-NZ 3.71Å; D278-K307 PolarHBondContact OD1-NZ 3.5Å; D278-K307 WeakPolarHBondContact OD2-CD 3.27Å; D278-K307 IonicContact OD2-NZ 2.69Å; D278-K307 PolarHBondContact OD2-NZ 3.45Å
279	G	89.4	Confident	90.9	Very high	10 Å²	10	41.6 Å²	41.6	10%	0.103	22%	0.217	C	C	.	.	S	Bend	trans	-93.5	158.3	170	0	0	0	0	0	112.9	W272 K307 L309	W272-G279 WeakPolarHBondContact CZ3-O 3.21Å; G279-K307 CarbonylContact C-O 3.58Å; G279-K307 WeakPolarHBondContact CA-O 3.46Å; G279-L309 VanDerWaalsContact O-CD1 3.27Å; G279-L309 WeakPolarHBondContact O-CD1 3.34Å
280	M	91.7	Very high	91.7	Very high	42 Å²	42	40.2 Å²	40.2	21%	0.207	21%	0.21	C	C	.	.	B	Isolated β-bridge	trans	-104.5	148	173.2	-174.3	155.7	45.7	0	0	111.5	F284 L285 T306 K307 M308 L309	M280-F284 HydrophobicContact CG-CB 3.99Å; M280-F284 HydrophobicContact SD-CB 4.29Å; M280-L285 VanDerWaalsContact CE-CA 3.45Å; M280-L285 HydrophobicContact CE-CB 3.54Å; M280-L285 HydrophobicContact CE-CD1 3.27Å; M280-L285 HydrophobicContact CE-CG 3.9Å; M280-L285 HydrophobicContact CG-CB 4.09Å; M280-L285 HydrophobicContact SD-CB 4.21Å; M280-T306 HydrophobicContact CB-CG2 4.19Å; M280-T306 HydrophobicContact CE-CG2 3.71Å; M280-K307 PolarHBondContact N-O 3.25Å; M280-M308 CarbonylContact O-C 3.28Å; M280-M308 WeakPolarHBondContact O-CA 3.22Å; M280-L309 PolarHBondContact O-N 3.18Å
281	W	92.5	Very high	92.6	Very high	3 Å²	3	37.3 Å²	37.3	1%	0.011	19%	0.194	C	C	.	.			trans	-65.7	144.6	172	-65	36.1	0	0	0	109.2	M136 L140 I167 E170 S283 F284 L285 L309	M136-W281 HydrophobicContact CE-CH2 4.2Å; M136-W281 HydrophobicContact CE-CZ2 3.49Å; M136-W281 VanDerWaalsContact CE-CZ2 3.49Å; M136-W281 HydrophobicContact SD-CZ2 4.39Å; L140-W281 HydrophobicContact CD2-CH2 4.3Å; L140-W281 HydrophobicContact CD2-CZ2 3.54Å; I167-W281 HydrophobicContact CB-CH2 4.47Å; I167-W281 HydrophobicContact CD1-CH2 4.37Å; I167-W281 HydrophobicContact CG1-CH2 3.4Å; I167-W281 VanDerWaalsContact CG1-CH2 3.4Å; I167-W281 HydrophobicContact CG1-CZ2 4.38Å; I167-W281 HydrophobicContact CG1-CZ3 3.88Å; E170-W281 HydrophobicContact CG-CD2 4.41Å; E170-W281 HydrophobicContact CG-CE3 3.64Å; E170-W281 HydrophobicContact CG-CZ3 4.16Å; W281-S283 VanDerWaalsContact C-N 3.29Å; W281-S283 PolarHBondContact O-N 3.27Å; W281-F284 HydrophobicContact CB-CB 3.97Å; W281-F284 HydrophobicContact CB-CD1 4.33Å; W281-F284 HydrophobicContact CB-CD2 3.73Å; W281-F284 HydrophobicContact CB-CE2 4.25Å; W281-F284 HydrophobicContact CB-CG 3.76Å; W281-F284 HydrophobicContact CD2-CD2 4.19Å; W281-F284 AromaticContact CD2-CE2 3.81Å; W281-F284 HydrophobicContact CD2-CE2 3.81Å; W281-F284 HydrophobicContact CD2-CZ 4.09Å; W281-F284 HydrophobicContact CE3-CE1 4.25Å; W281-F284 HydrophobicContact CE3-CE2 4.06Å; W281-F284 AromaticContact CE3-CZ 3.84Å; W281-F284 HydrophobicContact CE3-CZ 3.84Å; W281-F284 AromaticContact CG-CD2 3.79Å; W281-F284 HydrophobicContact CG-CD2 3.79Å; W281-F284 AromaticContact CG-CE2 3.91Å; W281-F284 HydrophobicContact CG-CE2 3.91Å; W281-F284 HydrophobicContact CG-CG 4.31Å; W281-F284 HydrophobicContact CZ3-CZ 4.21Å; W281-F284 PolarHBondContact O-N 3.08Å; W281-F284 VanDerWaalsContact O-N 3.11Å; W281-L285 PolarHBondContact O-N 2.85Å; W281-L309 VanDerWaalsContact CD1-CD2 3.5Å; W281-L309 HydrophobicContact CG-CD2 4.24Å
282	M	92.6	Very high	93.1	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-63.7	-40.2	-171.2	-60.8	178.4	-64.4	0	0	111	E170 E258 L285 T286 M308 A310 P311 A312	E170-M282 HydrophobicContact CB-CE 4.39Å; E170-M282 PolarHBondContact OE2-N 3.33Å; E258-M282 WeakPolarHBondContact OE2-CE 3.39Å; M282-L285 PolarHBondContact O-N 3Å; M282-T286 PolarHBondContact O-N 2.96Å; M282-T286 PolarHBondContact O-OG1 3.47Å; M282-M308 HydrophobicContact CG-SD 4.02Å; M282-A310 HydrophobicContact CE-CB 3.38Å; M282-A310 HydrophobicContact CG-CB 4.06Å; M282-A310 VanDerWaalsContact SD-C 3.57Å; M282-A310 HydrophobicContact SD-CB 3.41Å; M282-A310 WeakPolarHBondContact SD-CB 3.17Å; M282-A310 VanDerWaalsContact SD-O 3.4Å; M282-P311 VanDerWaalsContact SD-C 3.58Å; M282-A312 HydrophobicContact CG-CB 4.2Å; M282-A312 HydrophobicContact SD-CB 3.42Å; M282-A312 WeakPolarHBondContact SD-CB 3.24Å
283	S	94.4	Very high	93.7	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-72.4	-29.3	177	67.6	0	0	0	0	113.9	E170 Y240 M243 W281 R287	E170-S283 WeakPolarHBondContact OE1-CB 3.5Å; E170-S283 PolarHBondContact OE1-N 3.48Å; E170-S283 PolarHBondContact OE1-OG 3.34Å; Y240-S283 WeakPolarHBondContact OH-CB 3.41Å; Y240-S283 PolarHBondContact OH-OG 2.74Å; M243-S283 PolarHBondContact N-O 3.13Å; M243-S283 WeakPolarHBondContact O-CA 3.33Å; W281-S283 VanDerWaalsContact C-N 3.29Å; W281-S283 PolarHBondContact O-N 3.27Å; S283-R287 WeakPolarHBondContact O-CB 3.39Å; S283-R287 PolarHBondContact O-N 2.88Å
284	F	96.8	Very high	94.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-75	-36	176	-67	1.1	0	0	0	110.7	L140 F144 V241 M280 W281 R287 S288	L140-F284 HydrophobicContact CD1-CE2 4.34Å; L140-F284 HydrophobicContact CD1-CZ 4.39Å; L140-F284 HydrophobicContact CD2-CE2 4.25Å; F144-F284 HydrophobicContact CB-CD2 4.13Å; F144-F284 HydrophobicContact CB-CE1 4.27Å; F144-F284 HydrophobicContact CB-CE2 3.7Å; F144-F284 HydrophobicContact CB-CZ 3.79Å; F144-F284 HydrophobicContact CD1-CB 4.44Å; F144-F284 AromaticContact CD1-CD1 3.56Å; F144-F284 HydrophobicContact CD1-CD1 3.56Å; F144-F284 HydrophobicContact CD1-CD2 4.15Å; F144-F284 AromaticContact CD1-CE1 3.77Å; F144-F284 HydrophobicContact CD1-CE1 3.77Å; F144-F284 HydrophobicContact CD1-CE2 4.32Å; F144-F284 AromaticContact CD1-CG 3.78Å; F144-F284 HydrophobicContact CD1-CG 3.78Å; F144-F284 HydrophobicContact CD1-CZ 4.15Å; F144-F284 HydrophobicContact CD2-CB 4.17Å; F144-F284 HydrophobicContact CD2-CD1 4.43Å; F144-F284 AromaticContact CD2-CD2 3.6Å; F144-F284 HydrophobicContact CD2-CD2 3.6Å; F144-F284 HydrophobicContact CD2-CE2 4.07Å; F144-F284 AromaticContact CD2-CG 3.81Å; F144-F284 HydrophobicContact CD2-CG 3.81Å; F144-F284 HydrophobicContact CE1-CB 3.96Å; F144-F284 AromaticContact CE1-CD1 3.66Å; F144-F284 HydrophobicContact CE1-CD1 3.66Å; F144-F284 HydrophobicContact CE1-CD2 4.48Å; F144-F284 HydrophobicContact CE1-CE1 4.33Å; F144-F284 AromaticContact CE1-CG 3.76Å; F144-F284 HydrophobicContact CE1-CG 3.76Å; F144-F284 HydrophobicContact CE2-CB 3.67Å; F144-F284 AromaticContact CE2-CD2 4Å; F144-F284 HydrophobicContact CE2-CD2 4Å; F144-F284 AromaticContact CE2-CG 3.82Å; F144-F284 HydrophobicContact CE2-CG 3.82Å; F144-F284 AromaticContact CG-CD1 3.96Å; F144-F284 HydrophobicContact CG-CD1 3.96Å; F144-F284 AromaticContact CG-CD2 3.68Å; F144-F284 HydrophobicContact CG-CD2 3.68Å; F144-F284 HydrophobicContact CG-CE1 4.06Å; F144-F284 AromaticContact CG-CE2 3.77Å; F144-F284 HydrophobicContact CG-CE2 3.77Å; F144-F284 AromaticContact CG-CG 3.79Å; F144-F284 HydrophobicContact CG-CG 3.79Å; F144-F284 AromaticContact CG-CZ 3.97Å; F144-F284 HydrophobicContact CG-CZ 3.97Å; F144-F284 HydrophobicContact CZ-CB 3.54Å; F144-F284 HydrophobicContact CZ-CD1 4.17Å; F144-F284 HydrophobicContact CZ-CD2 4.42Å; F144-F284 AromaticContact CZ-CG 3.8Å; F144-F284 HydrophobicContact CZ-CG 3.8Å; V241-F284 HydrophobicContact CG2-CE1 3.79Å; V241-F284 HydrophobicContact CG2-CZ 4.17Å; M280-F284 HydrophobicContact CG-CB 3.99Å; M280-F284 HydrophobicContact SD-CB 4.29Å; W281-F284 HydrophobicContact CB-CB 3.97Å; W281-F284 HydrophobicContact CB-CD1 4.33Å; W281-F284 HydrophobicContact CB-CD2 3.73Å; W281-F284 HydrophobicContact CB-CE2 4.25Å; W281-F284 HydrophobicContact CB-CG 3.76Å; W281-F284 HydrophobicContact CD2-CD2 4.19Å; W281-F284 AromaticContact CD2-CE2 3.81Å; W281-F284 HydrophobicContact CD2-CE2 3.81Å; W281-F284 HydrophobicContact CD2-CZ 4.09Å; W281-F284 HydrophobicContact CE3-CE1 4.25Å; W281-F284 HydrophobicContact CE3-CE2 4.06Å; W281-F284 AromaticContact CE3-CZ 3.84Å; W281-F284 HydrophobicContact CE3-CZ 3.84Å; W281-F284 AromaticContact CG-CD2 3.79Å; W281-F284 HydrophobicContact CG-CD2 3.79Å; W281-F284 AromaticContact CG-CE2 3.91Å; W281-F284 HydrophobicContact CG-CE2 3.91Å; W281-F284 HydrophobicContact CG-CG 4.31Å; W281-F284 HydrophobicContact CZ3-CZ 4.21Å; W281-F284 PolarHBondContact O-N 3.08Å; W281-F284 VanDerWaalsContact O-N 3.11Å; F284-R287 PolarHBondContact O-N 2.89Å; F284-S288 VanDerWaalsContact O-CB 3.3Å; F284-S288 WeakPolarHBondContact O-CB 3.44Å; F284-S288 PolarHBondContact O-N 3.49Å; F284-S288 PolarHBondContact O-OG 2.86Å
285	L	97.6	Very high	95	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.194	C	C	.	.	H	α-helix	trans	-61.3	-49.5	169.3	175.6	53.9	0	0	0	110.4	M280 W281 M282 R287 S288 V289 L303 T306 M308 F314	M280-L285 VanDerWaalsContact CE-CA 3.45Å; M280-L285 HydrophobicContact CE-CB 3.54Å; M280-L285 HydrophobicContact CE-CD1 3.27Å; M280-L285 HydrophobicContact CE-CG 3.9Å; M280-L285 HydrophobicContact CG-CB 4.09Å; M280-L285 HydrophobicContact SD-CB 4.21Å; W281-L285 PolarHBondContact O-N 2.85Å; M282-L285 PolarHBondContact O-N 3Å; L285-R287 VanDerWaalsContact C-N 3.3Å; L285-R287 PolarHBondContact O-N 2.85Å; L285-S288 PolarHBondContact O-N 2.9Å; L285-S288 VanDerWaalsContact O-N 3.13Å; L285-V289 HydrophobicContact CD1-CG2 3.75Å; L285-V289 HydrophobicContact CG-CG2 4.4Å; L285-V289 WeakPolarHBondContact O-CB 3.38Å; L285-V289 WeakPolarHBondContact O-CG2 3.12Å; L285-V289 PolarHBondContact O-N 3.47Å; L285-L303 HydrophobicContact CD2-CD2 4.3Å; L285-L303 HydrophobicContact CG-CD2 4.09Å; L285-T306 HydrophobicContact CD1-CG2 4.06Å; L285-T306 HydrophobicContact CD2-CG2 4.14Å; L285-M308 HydrophobicContact CD2-CG 4.01Å; L285-M308 HydrophobicContact CD2-SD 3.69Å; L285-F314 HydrophobicContact CD2-CE2 4.09Å; L285-F314 HydrophobicContact CD2-CZ 3.93Å
286	T	98.1	Very high	95.6	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-55.7	-46.3	177.4	-58.2	0	0	0	0	111.3	M243 L254 M282 L290 F314	M243-T286 HydrophobicContact CB-CG2 4.05Å; M243-T286 WeakPolarHBondContact O-CB 3.31Å; M243-T286 WeakPolarHBondContact O-CG2 3.48Å; L254-T286 HydrophobicContact CD2-CG2 3.65Å; L254-T286 HydrophobicContact CG-CG2 3.94Å; M282-T286 PolarHBondContact O-N 2.96Å; M282-T286 PolarHBondContact O-OG1 3.47Å; T286-L290 HydrophobicContact CG2-CD1 4.2Å; T286-L290 WeakPolarHBondContact O-CG 3.33Å; T286-L290 PolarHBondContact O-N 2.92Å; T286-L290 VanDerWaalsContact O-N 3.08Å; T286-F314 WeakPolarHBondContact OG1-CE1 3.2Å
287	R	98.6	Very high	96.1	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.008	18%	0.183	C	C	.	.	H	α-helix	trans	-61	-48.3	175	175.6	50.2	-174.8	-89.5	-0.6	112.1	F144 M243 S283 F284 L285 V289 L290 E291	F144-R287 HydrophobicContact CE1-CB 4.05Å; F144-R287 HydrophobicContact CE1-CG 3.82Å; F144-R287 HydrophobicContact CZ-CB 4.24Å; F144-R287 HydrophobicContact CZ-CG 4.13Å; M243-R287 HydrophobicContact CB-CB 4.14Å; M243-R287 HydrophobicContact CG-CB 3.72Å; M243-R287 HydrophobicContact CG-CG 4.07Å; S283-R287 WeakPolarHBondContact O-CB 3.39Å; S283-R287 PolarHBondContact O-N 2.88Å; F284-R287 PolarHBondContact O-N 2.89Å; L285-R287 VanDerWaalsContact C-N 3.3Å; L285-R287 PolarHBondContact O-N 2.85Å; R287-V289 VanDerWaalsContact C-N 3.32Å; R287-V289 PolarHBondContact O-N 3.23Å; R287-L290 PolarHBondContact O-N 2.94Å; R287-E291 IonicContact CZ-OE2 2.67Å; R287-E291 VanDerWaalsContact CZ-OE2 3.23Å; R287-E291 IonicContact NE-OE2 3.04Å; R287-E291 PolarHBondContact NE-OE2 3.25Å; R287-E291 IonicContact NH2-OE2 3.11Å; R287-E291 PolarHBondContact NH2-OE2 2.91Å; R287-E291 WeakPolarHBondContact O-CB 3.41Å; R287-E291 PolarHBondContact O-N 2.82Å
288	S	98.5	Very high	96.4	Very high	27 Å²	27	34 Å²	34	19%	0.189	18%	0.177	C	C	.	.	H	α-helix	trans	-63.1	-38.9	-177.8	-60.8	0	0	0	0	112.1	F284 L285 E291 N292	F284-S288 VanDerWaalsContact O-CB 3.3Å; F284-S288 WeakPolarHBondContact O-CB 3.44Å; F284-S288 PolarHBondContact O-N 3.49Å; F284-S288 PolarHBondContact O-OG 2.86Å; L285-S288 PolarHBondContact O-N 2.9Å; L285-S288 VanDerWaalsContact O-N 3.13Å; S288-E291 PolarHBondContact O-N 3.32Å; S288-N292 VanDerWaalsContact O-CB 3.28Å; S288-N292 WeakPolarHBondContact O-CB 3.45Å; S288-N292 PolarHBondContact O-N 3.33Å; S288-N292 PolarHBondContact O-ND2 2.89Å
289	V	98.8	Very high	96.9	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-65.3	-49.8	175.8	169.2	0	0	0	0	110.6	F252 L254 L285 R287 E291 N292 A293 A299 Q302 L303	F252-V289 HydrophobicContact CE2-CG1 4.02Å; F252-V289 HydrophobicContact CZ-CG1 3.97Å; L254-V289 HydrophobicContact CD2-CB 4.28Å; L254-V289 HydrophobicContact CD2-CG1 4.02Å; L285-V289 HydrophobicContact CD1-CG2 3.75Å; L285-V289 HydrophobicContact CG-CG2 4.4Å; L285-V289 WeakPolarHBondContact O-CB 3.38Å; L285-V289 WeakPolarHBondContact O-CG2 3.12Å; L285-V289 PolarHBondContact O-N 3.47Å; R287-V289 VanDerWaalsContact C-N 3.32Å; R287-V289 PolarHBondContact O-N 3.23Å; V289-E291 VanDerWaalsContact C-N 3.29Å; V289-E291 PolarHBondContact O-N 3.05Å; V289-N292 PolarHBondContact O-N 2.95Å; V289-A293 HydrophobicContact CG1-CB 4.06Å; V289-A293 WeakPolarHBondContact O-CB 3.42Å; V289-A293 PolarHBondContact O-N 2.71Å; V289-A299 HydrophobicContact CG1-CB 3.57Å; V289-Q302 HydrophobicContact CG2-CB 3.91Å; V289-L303 HydrophobicContact CB-CD2 4.49Å; V289-L303 HydrophobicContact CG1-CD1 4.37Å; V289-L303 HydrophobicContact CG1-CG 4.34Å; V289-L303 HydrophobicContact CG2-CD2 3.93Å; V289-L303 HydrophobicContact CG2-CG 4.09Å
290	L	98.8	Very high	97.3	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-57.6	-42.5	176.6	-77	164.6	0	0	0	112	F232 M243 K248 F252 L254 T286 R287	F232-L290 HydrophobicContact CB-CB 4.26Å; F232-L290 HydrophobicContact CD1-CB 4.25Å; F232-L290 HydrophobicContact CD2-CB 3.72Å; F232-L290 HydrophobicContact CD2-CD1 4.01Å; F232-L290 HydrophobicContact CD2-CD2 4.35Å; F232-L290 HydrophobicContact CD2-CG 4.25Å; F232-L290 HydrophobicContact CE2-CB 4.1Å; F232-L290 HydrophobicContact CE2-CD1 4.11Å; F232-L290 HydrophobicContact CG-CB 3.82Å; M243-L290 HydrophobicContact CB-CD1 4.04Å; M243-L290 HydrophobicContact CG-CD1 4.38Å; K248-L290 WeakPolarHBondContact CD-O 3.45Å; K248-L290 WeakPolarHBondContact CE-O 3.48Å; K248-L290 PolarHBondContact NZ-O 2.93Å; F252-L290 HydrophobicContact CE2-CD2 3.82Å; F252-L290 HydrophobicContact CE2-CG 4.43Å; L254-L290 HydrophobicContact CB-CD2 4.3Å; L254-L290 HydrophobicContact CD2-CG 4.37Å; T286-L290 HydrophobicContact CG2-CD1 4.2Å; T286-L290 WeakPolarHBondContact O-CG 3.33Å; T286-L290 PolarHBondContact O-N 2.92Å; T286-L290 VanDerWaalsContact O-N 3.08Å; R287-L290 PolarHBondContact O-N 2.94Å
291	E	98.6	Very high	97.6	Very high	39 Å²	39	32.2 Å²	32.2	18%	0.182	16%	0.164	C	C	.	.	H	α-helix	trans	-71.4	-43.5	-178.9	-165.2	163.6	141.1	0	0	112.2	L86 V231 F232 K248 R287 S288 V289	L86-E291 HydrophobicContact CD1-CG 4.24Å; V231-E291 HydrophobicContact CG1-CG 4.43Å; V231-E291 WeakPolarHBondContact CG1-O 3.4Å; F232-E291 HydrophobicContact CD1-CB 4.38Å; F232-E291 HydrophobicContact CE1-CB 4.14Å; F232-E291 HydrophobicContact CE1-CG 4.45Å; K248-E291 PolarHBondContact NZ-O 3.37Å; R287-E291 IonicContact CZ-OE2 2.67Å; R287-E291 VanDerWaalsContact CZ-OE2 3.23Å; R287-E291 IonicContact NE-OE2 3.04Å; R287-E291 PolarHBondContact NE-OE2 3.25Å; R287-E291 IonicContact NH2-OE2 3.11Å; R287-E291 PolarHBondContact NH2-OE2 2.91Å; R287-E291 WeakPolarHBondContact O-CB 3.41Å; R287-E291 PolarHBondContact O-N 2.82Å; S288-E291 PolarHBondContact O-N 3.32Å; V289-E291 VanDerWaalsContact C-N 3.29Å; V289-E291 PolarHBondContact O-N 3.05Å
292	N	98.4	Very high	97.9	Very high	92 Å²	92	34.8 Å²	34.8	49%	0.492	18%	0.176	S	C	.	.	H	α-helix	trans	-111.5	-29.2	-164.3	-58.9	-57.6	0	0	0	116	S288 V289 N294	S288-N292 VanDerWaalsContact O-CB 3.28Å; S288-N292 WeakPolarHBondContact O-CB 3.45Å; S288-N292 PolarHBondContact O-N 3.33Å; S288-N292 PolarHBondContact O-ND2 2.89Å; V289-N292 PolarHBondContact O-N 2.95Å; N292-N294 PolarHBondContact O-ND2 3.43Å; N292-N294 VanDerWaalsContact O-ND2 3.16Å
293	A	98.6	Very high	98.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.			trans	-70.2	140.7	-177.4	0	0	0	0	0	111.3	K248 F252 V289 E298 A299	K248-A293 VanDerWaalsContact CD-O 3.25Å; K248-A293 WeakPolarHBondContact CD-O 3.48Å; K248-A293 VanDerWaalsContact CE-O 3.28Å; K248-A293 WeakPolarHBondContact CE-O 3.4Å; K248-A293 PolarHBondContact NZ-O 3.07Å; F252-A293 HydrophobicContact CE1-CB 4.12Å; F252-A293 HydrophobicContact CZ-CB 4.14Å; V289-A293 HydrophobicContact CG1-CB 4.06Å; V289-A293 WeakPolarHBondContact O-CB 3.42Å; V289-A293 PolarHBondContact O-N 2.71Å; A293-E298 HydrophobicContact CB-CB 4.5Å; A293-E298 HydrophobicContact CB-CG 4.27Å; A293-A299 HydrophobicContact CB-CB 4.11Å
294	N	97.9	Very high	98.4	Very high	107 Å²	107	35.4 Å²	35.4	57%	0.572	18%	0.181	S	C	*	.			trans	-108.5	0.4	-172.4	-58.6	-70.3	0	0	0	113.4	N292 E298	N292-N294 PolarHBondContact O-ND2 3.43Å; N292-N294 VanDerWaalsContact O-ND2 3.16Å; N294-E298 WeakPolarHBondContact CB-OE2 3.46Å; N294-E298 PolarHBondContact N-OE2 3.45Å
295	S	98.5	Very high	98.4	Very high	47 Å²	47	41.8 Å²	41.8	33%	0.329	22%	0.215	S	C	.	.	S	Bend	trans	-156.4	161.7	177.2	64.9	0	0	0	0	112.1	K297 E298 A299	S295-K297 VanDerWaalsContact C-N 3.31Å; S295-K297 PolarHBondContact O-N 3.42Å; S295-E298 PolarHBondContact O-N 3.13Å; S295-E298 VanDerWaalsContact OG-CB 3.26Å; S295-E298 WeakPolarHBondContact OG-CB 3.32Å; S295-E298 PolarHBondContact OG-N 3.02Å; S295-E298 VanDerWaalsContact OG-N 3.08Å; S295-A299 WeakPolarHBondContact O-CB 3.26Å; S295-A299 PolarHBondContact O-N 2.93Å
296	Y	98.6	Very high	98.3	Very high	19 Å²	19	43.7 Å²	43.7	8%	0.075	23%	0.226	C	C	.	.	H	α-helix	trans	-54.6	-46	170.6	170.2	-100.6	0	0	0	111.8	E298 A299 K300 L316 E323 G324 C325	Y296-E298 PolarHBondContact O-N 3.35Å; Y296-A299 PolarHBondContact O-N 3.32Å; Y296-K300 HydrophobicContact CE1-CD 4.14Å; Y296-K300 WeakPolarHBondContact O-CB 3.31Å; Y296-K300 PolarHBondContact O-N 2.96Å; Y296-L316 HydrophobicContact CD2-CD2 3.53Å; Y296-L316 HydrophobicContact CD2-CG 3.67Å; Y296-L316 HydrophobicContact CE2-CB 4.21Å; Y296-L316 HydrophobicContact CE2-CD2 3.41Å; Y296-L316 VanDerWaalsContact CE2-CD2 3.41Å; Y296-L316 HydrophobicContact CE2-CG 3.54Å; Y296-L316 HydrophobicContact CG-CD2 4.39Å; Y296-E323 HydrophobicContact CD1-CB 3.81Å; Y296-E323 HydrophobicContact CD1-CG 3.63Å; Y296-E323 WeakPolarHBondContact CD1-OE1 3.43Å; Y296-E323 HydrophobicContact CD2-CB 4.05Å; Y296-E323 HydrophobicContact CE1-CB 3.81Å; Y296-E323 HydrophobicContact CE1-CG 3.86Å; Y296-E323 HydrophobicContact CE2-CB 4.04Å; Y296-E323 HydrophobicContact CG-CB 3.94Å; Y296-E323 HydrophobicContact CG-CG 4.1Å; Y296-G324 PolarHBondContact OH-N 3.43Å; Y296-C325 PolarHBondContact OH-SG 3.49Å
297	K	98.6	Very high	98.2	Very high	151 Å²	151	46 Å²	46	66%	0.657	24%	0.237	S	C	*	.	H	α-helix	trans	-62.9	-42.9	179.8	-175.1	177.2	-179.8	179	0	112.5	S295 K300 N301	S295-K297 VanDerWaalsContact C-N 3.31Å; S295-K297 PolarHBondContact O-N 3.42Å; K297-K300 PolarHBondContact O-N 3.34Å; K297-N301 WeakPolarHBondContact O-CB 3.37Å; K297-N301 PolarHBondContact O-N 2.9Å
298	E	98.7	Very high	98	Very high	66 Å²	66	45.9 Å²	45.9	31%	0.308	24%	0.236	S	C	.	.	H	α-helix	trans	-64.4	-45.9	176.4	-172.3	-173.3	168.9	0	0	111	A293 N294 S295 Y296 K300 N301 Q302	A293-E298 HydrophobicContact CB-CB 4.5Å; A293-E298 HydrophobicContact CB-CG 4.27Å; N294-E298 WeakPolarHBondContact CB-OE2 3.46Å; N294-E298 PolarHBondContact N-OE2 3.45Å; S295-E298 PolarHBondContact O-N 3.13Å; S295-E298 VanDerWaalsContact OG-CB 3.26Å; S295-E298 WeakPolarHBondContact OG-CB 3.32Å; S295-E298 PolarHBondContact OG-N 3.02Å; S295-E298 VanDerWaalsContact OG-N 3.08Å; Y296-E298 PolarHBondContact O-N 3.35Å; E298-K300 PolarHBondContact O-N 3.44Å; E298-N301 PolarHBondContact O-N 3.15Å; E298-Q302 WeakPolarHBondContact O-CG 3.49Å; E298-Q302 PolarHBondContact O-N 3.27Å; E298-Q302 PolarHBondContact OE1-NE2 3.26Å; E298-Q302 VanDerWaalsContact OE1-NE2 3.09Å
299	A	98.8	Very high	97.6	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-58.4	-48.4	175.4	0	0	0	0	0	111.3	F252 V289 A293 S295 Y296 N301 Q302 L303 L316	F252-A299 HydrophobicContact CD1-CB 4.18Å; F252-A299 HydrophobicContact CD2-CB 4.34Å; F252-A299 HydrophobicContact CE1-CB 4.01Å; F252-A299 HydrophobicContact CE2-CB 4.17Å; F252-A299 HydrophobicContact CG-CB 4.35Å; F252-A299 HydrophobicContact CZ-CB 4.01Å; V289-A299 HydrophobicContact CG1-CB 3.57Å; A293-A299 HydrophobicContact CB-CB 4.11Å; S295-A299 WeakPolarHBondContact O-CB 3.26Å; S295-A299 PolarHBondContact O-N 2.93Å; Y296-A299 PolarHBondContact O-N 3.32Å; A299-N301 VanDerWaalsContact C-N 3.33Å; A299-N301 PolarHBondContact O-N 2.96Å; A299-Q302 PolarHBondContact O-N 2.82Å; A299-L303 WeakPolarHBondContact O-CB 3.37Å; A299-L303 WeakPolarHBondContact O-CD1 3.44Å; A299-L303 WeakPolarHBondContact O-CG 3.47Å; A299-L303 PolarHBondContact O-N 3.48Å; A299-L316 HydrophobicContact CB-CD1 4.06Å; A299-L316 HydrophobicContact CB-CD2 4.19Å
300	K	98.7	Very high	97.1	Very high	40 Å²	40	45.1 Å²	45.1	17%	0.174	23%	0.23	C	C	.	.	H	α-helix	trans	-56.6	-45.5	176.9	-172.1	172.6	-177.8	178.4	0	111.6	Y296 K297 E298 L303 A304 L316 I327 D339	Y296-K300 HydrophobicContact CE1-CD 4.14Å; Y296-K300 WeakPolarHBondContact O-CB 3.31Å; Y296-K300 PolarHBondContact O-N 2.96Å; K297-K300 PolarHBondContact O-N 3.34Å; E298-K300 PolarHBondContact O-N 3.44Å; K300-L303 PolarHBondContact O-N 3.38Å; K300-A304 VanDerWaalsContact O-CB 3.23Å; K300-A304 WeakPolarHBondContact O-CB 3.46Å; K300-A304 PolarHBondContact O-N 2.88Å; K300-L316 HydrophobicContact CB-CD2 3.7Å; K300-L316 HydrophobicContact CG-CD2 4.43Å; K300-I327 HydrophobicContact CG-CD1 4.04Å; K300-D339 IonicContact NZ-OD1 3.54Å; K300-D339 PolarHBondContact NZ-OD1 2.86Å; K300-D339 IonicContact NZ-OD2 3.74Å; K300-D339 PolarHBondContact NZ-OD2 3.48Å
301	N	98.4	Very high	96.8	Very high	83 Å²	83	45.1 Å²	45.1	44%	0.444	23%	0.23	S	C	.	.	H	α-helix	trans	-64.6	-46.9	178.5	-77.3	-7.8	0	0	0	112.4	K297 E298 A299 L303 A304 L305	K297-N301 WeakPolarHBondContact O-CB 3.37Å; K297-N301 PolarHBondContact O-N 2.9Å; E298-N301 PolarHBondContact O-N 3.15Å; A299-N301 VanDerWaalsContact C-N 3.33Å; A299-N301 PolarHBondContact O-N 2.96Å; N301-L303 PolarHBondContact O-N 2.84Å; N301-A304 PolarHBondContact O-N 3.09Å; N301-L305 WeakPolarHBondContact O-CB 3.42Å; N301-L305 VanDerWaalsContact O-CG 3.3Å; N301-L305 WeakPolarHBondContact O-CG 3.47Å; N301-L305 PolarHBondContact O-N 3.08Å
302	Q	98.3	Very high	96.7	Very high	56 Å²	56	43.3 Å²	43.3	26%	0.262	22%	0.221	S	C	.	.	H	α-helix	trans	-60.7	-47.1	177.2	-68.8	-178.4	25.8	0	0	110.7	V289 E298 A299 A304 L305 T306	V289-Q302 HydrophobicContact CG2-CB 3.91Å; E298-Q302 WeakPolarHBondContact O-CG 3.49Å; E298-Q302 PolarHBondContact O-N 3.27Å; E298-Q302 PolarHBondContact OE1-NE2 3.26Å; E298-Q302 VanDerWaalsContact OE1-NE2 3.09Å; A299-Q302 PolarHBondContact O-N 2.82Å; Q302-A304 VanDerWaalsContact C-N 3.27Å; Q302-A304 PolarHBondContact O-N 3.09Å; Q302-L305 PolarHBondContact O-N 3.28Å; Q302-T306 WeakPolarHBondContact O-CB 3.17Å; Q302-T306 PolarHBondContact O-N 2.96Å; Q302-T306 PolarHBondContact O-OG1 3.3Å
303	L	98.4	Very high	96.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-66.8	-23	179.1	-66.9	168.7	0	0	0	114	L254 L285 V289 A299 K300 N301 F314 L316 I327 R329	L254-L303 HydrophobicContact CD1-CD1 3.52Å; L254-L303 HydrophobicContact CD1-CD2 4.41Å; L254-L303 HydrophobicContact CD2-CD1 3.98Å; L254-L303 HydrophobicContact CD2-CD2 4.11Å; L254-L303 HydrophobicContact CG-CD1 4.41Å; L285-L303 HydrophobicContact CD2-CD2 4.3Å; L285-L303 HydrophobicContact CG-CD2 4.09Å; V289-L303 HydrophobicContact CB-CD2 4.49Å; V289-L303 HydrophobicContact CG1-CD1 4.37Å; V289-L303 HydrophobicContact CG1-CG 4.34Å; V289-L303 HydrophobicContact CG2-CD2 3.93Å; V289-L303 HydrophobicContact CG2-CG 4.09Å; A299-L303 WeakPolarHBondContact O-CB 3.37Å; A299-L303 WeakPolarHBondContact O-CD1 3.44Å; A299-L303 WeakPolarHBondContact O-CG 3.47Å; A299-L303 PolarHBondContact O-N 3.48Å; K300-L303 PolarHBondContact O-N 3.38Å; N301-L303 PolarHBondContact O-N 2.84Å; L303-F314 HydrophobicContact CB-CB 4.46Å; L303-F314 HydrophobicContact CB-CD2 3.95Å; L303-F314 HydrophobicContact CB-CE2 4.48Å; L303-F314 HydrophobicContact CB-CG 4.28Å; L303-F314 HydrophobicContact CD1-CB 4.23Å; L303-F314 HydrophobicContact CD1-CG 4.46Å; L303-F314 HydrophobicContact CD2-CB 4.42Å; L303-F314 HydrophobicContact CD2-CD1 3.79Å; L303-F314 HydrophobicContact CD2-CD2 3.9Å; L303-F314 HydrophobicContact CD2-CE1 3.93Å; L303-F314 HydrophobicContact CD2-CE2 4.02Å; L303-F314 HydrophobicContact CD2-CG 3.78Å; L303-F314 HydrophobicContact CD2-CZ 4.04Å; L303-F314 HydrophobicContact CG-CD2 4.45Å; L303-F314 HydrophobicContact CG-CG 4.39Å; L303-L316 HydrophobicContact CD1-CD1 4.05Å; L303-L316 HydrophobicContact CD1-CD2 4.32Å; L303-I327 HydrophobicContact CB-CD1 3.69Å; L303-I327 HydrophobicContact CD1-CD1 4.34Å; L303-R329 WeakPolarHBondContact O-CD 3.3Å; L303-R329 PolarHBondContact O-NH1 3.31Å
304	A	97.8	Very high	96.7	Very high	14 Å²	14	39.1 Å²	39.1	12%	0.116	20%	0.199	C	C	.	.	H	α-helix	trans	-87.7	-30.8	177.4	0	0	0	0	0	113.2	K300 N301 Q302 I327 R329	K300-A304 VanDerWaalsContact O-CB 3.23Å; K300-A304 WeakPolarHBondContact O-CB 3.46Å; K300-A304 PolarHBondContact O-N 2.88Å; N301-A304 PolarHBondContact O-N 3.09Å; Q302-A304 VanDerWaalsContact C-N 3.27Å; Q302-A304 PolarHBondContact O-N 3.09Å; A304-I327 HydrophobicContact CB-CG2 4.23Å; A304-R329 VanDerWaalsContact O-CZ 3.29Å; A304-R329 PolarHBondContact O-NE 3.09Å
305	L	97.1	Very high	96.7	Very high	133 Å²	133	34 Å²	34	70%	0.696	17%	0.171	S	C	*	.	H	α-helix	trans	-109.1	-24.5	-166.3	-61.5	176	0	0	0	114.5	N301 Q302 K307	N301-L305 WeakPolarHBondContact O-CB 3.42Å; N301-L305 VanDerWaalsContact O-CG 3.3Å; N301-L305 WeakPolarHBondContact O-CG 3.47Å; N301-L305 PolarHBondContact O-N 3.08Å; Q302-L305 PolarHBondContact O-N 3.28Å; L305-K307 PolarHBondContact O-N 3.18Å
306	T	97	Very high	96.7	Very high	41 Å²	41	31.8 Å²	31.8	25%	0.252	16%	0.156	S	C	.	.	S	Bend	trans	-68.7	127.1	-177.6	-62.9	0	0	0	0	111	M280 L285 Q302 M308 R329	M280-T306 HydrophobicContact CB-CG2 4.19Å; M280-T306 HydrophobicContact CE-CG2 3.71Å; L285-T306 HydrophobicContact CD1-CG2 4.06Å; L285-T306 HydrophobicContact CD2-CG2 4.14Å; Q302-T306 WeakPolarHBondContact O-CB 3.17Å; Q302-T306 PolarHBondContact O-N 2.96Å; Q302-T306 PolarHBondContact O-OG1 3.3Å; T306-M308 WeakPolarHBondContact O-CG 3.36Å; T306-R329 PolarHBondContact O-NH1 2.84Å; T306-R329 PolarHBondContact O-NH2 3.32Å
307	K	95.2	Very high	96.7	Very high	49 Å²	49	30.9 Å²	30.9	21%	0.213	15%	0.152	C	C	.	.			trans	-60.7	138.3	171.9	-167.8	-175.7	-172.8	-167.3	0	110	D278 G279 M280 L305 R331 E332	D278-K307 IonicContact OD1-NZ 3.71Å; D278-K307 PolarHBondContact OD1-NZ 3.5Å; D278-K307 WeakPolarHBondContact OD2-CD 3.27Å; D278-K307 IonicContact OD2-NZ 2.69Å; D278-K307 PolarHBondContact OD2-NZ 3.45Å; G279-K307 CarbonylContact C-O 3.58Å; G279-K307 WeakPolarHBondContact CA-O 3.46Å; M280-K307 PolarHBondContact N-O 3.25Å; L305-K307 PolarHBondContact O-N 3.18Å; K307-R331 CarbonylContact C-O 3.58Å; K307-E332 WeakPolarHBondContact CE-OE1 3.41Å; K307-E332 HydrophobicContact CG-CG 4.45Å; K307-E332 IonicContact NZ-OE1 2.66Å
308	M	93.3	Very high	96.7	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.121	C	C	.	.	B	Isolated β-bridge	trans	-127.6	160.1	-175.4	-60.7	-170.4	-60.4	0	0	112.5	M280 M282 L285 T306 A310 A312 F314 R329 R331	M280-M308 CarbonylContact O-C 3.28Å; M280-M308 WeakPolarHBondContact O-CA 3.22Å; M282-M308 HydrophobicContact CG-SD 4.02Å; L285-M308 HydrophobicContact CD2-CG 4.01Å; L285-M308 HydrophobicContact CD2-SD 3.69Å; T306-M308 WeakPolarHBondContact O-CG 3.36Å; M308-A310 WeakPolarHBondContact CB-O 3.32Å; M308-A310 WeakPolarHBondContact CE-O 3.32Å; M308-A312 HydrophobicContact CE-CB 4.31Å; M308-F314 HydrophobicContact CE-CE2 3.86Å; M308-F314 HydrophobicContact CE-CZ 4.29Å; M308-F314 HydrophobicContact SD-CE2 3.48Å; M308-F314 WeakPolarHBondContact SD-CE2 3.28Å; M308-F314 HydrophobicContact SD-CZ 3.47Å; M308-F314 WeakPolarHBondContact SD-CZ 3.32Å; M308-R329 HydrophobicContact CE-CB 3.36Å; M308-R329 HydrophobicContact CE-CG 3.73Å; M308-R331 PolarHBondContact N-O 2.89Å; M308-R331 WeakPolarHBondContact O-CB 3.35Å
309	L	90.1	Very high	96.6	Very high	10 Å²	10	22.7 Å²	22.7	5%	0.052	12%	0.118	C	C	.	.	S	Bend	trans	-76.2	-27.9	174.5	-86.6	68.5	0	0	0	112.5	G268 W272 G279 M280 W281 R331	G268-L309 WeakPolarHBondContact CA-O 3.34Å; W272-L309 HydrophobicContact CB-CD2 4.33Å; W272-L309 HydrophobicContact CD2-CD2 4.37Å; W272-L309 HydrophobicContact CE3-CD1 3.91Å; W272-L309 HydrophobicContact CE3-CD2 3.9Å; W272-L309 HydrophobicContact CE3-CG 4.35Å; W272-L309 HydrophobicContact CZ3-CD1 4.1Å; G279-L309 VanDerWaalsContact O-CD1 3.27Å; G279-L309 WeakPolarHBondContact O-CD1 3.34Å; M280-L309 PolarHBondContact O-N 3.18Å; W281-L309 VanDerWaalsContact CD1-CD2 3.5Å; W281-L309 HydrophobicContact CG-CD2 4.24Å; L309-R331 WeakPolarHBondContact O-CD 3.43Å; L309-R331 PolarHBondContact O-NE 2.79Å
310	A	89.8	Confident	96.6	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.008	14%	0.143	C	C	.	.	S	Bend	trans	-138.3	155.6	-173.1	0	0	0	0	0	110.6	G265 M282 M308	G265-A310 VanDerWaalsContact CA-CB 3.45Å; M282-A310 HydrophobicContact CE-CB 3.38Å; M282-A310 HydrophobicContact CG-CB 4.06Å; M282-A310 VanDerWaalsContact SD-C 3.57Å; M282-A310 HydrophobicContact SD-CB 3.41Å; M282-A310 WeakPolarHBondContact SD-CB 3.17Å; M282-A310 VanDerWaalsContact SD-O 3.4Å; M308-A310 WeakPolarHBondContact CB-O 3.32Å; M308-A310 WeakPolarHBondContact CE-O 3.32Å
311	P	92.3	Very high	96.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.16	C	C	.	.			trans	-73.4	144.7	171.7	6.6	8.3	0	0	0	110.7	R259 D263 M282 R329	R259-P311 HydrophobicContact CB-CB 3.98Å; R259-P311 HydrophobicContact CG-CB 4Å; R259-P311 PolarHBondContact N-O 2.98Å; R259-P311 WeakPolarHBondContact O-CB 3.38Å; R259-P311 VanDerWaalsContact O-CG 3.29Å; R259-P311 WeakPolarHBondContact O-CG 3.26Å; D263-P311 WeakPolarHBondContact O-CG 3.41Å; M282-P311 VanDerWaalsContact SD-C 3.58Å; P311-R329 WeakPolarHBondContact CB-O 3.43Å
312	A	95.4	Very high	96.4	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	165.3	177.9	0	0	0	0	0	112	M256 M282 M308 F314 R329	M256-A312 HydrophobicContact CG-CB 4.11Å; M256-A312 HydrophobicContact SD-CB 4.21Å; M282-A312 HydrophobicContact CG-CB 4.2Å; M282-A312 HydrophobicContact SD-CB 3.42Å; M282-A312 WeakPolarHBondContact SD-CB 3.24Å; M308-A312 HydrophobicContact CE-CB 4.31Å; A312-F314 HydrophobicContact CB-CE1 4.46Å; A312-F314 HydrophobicContact CB-CE2 4.38Å; A312-F314 HydrophobicContact CB-CZ 4.19Å; A312-R329 PolarHBondContact N-O 2.99Å; A312-R329 WeakPolarHBondContact O-CB 3.27Å; A312-R329 PolarHBondContact O-N 3.41Å
313	Y	98.1	Very high	96.4	Very high	4 Å²	4	27.1 Å²	27.1	2%	0.016	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	125.5	155.6	-50.9	-82.7	0	0	0	108.7	M256 N257 R259 I326 I327 T328 E351 Y354 D355	M256-Y313 WeakPolarHBondContact CA-O 3.39Å; N257-Y313 HydrophobicContact CB-CD2 4.22Å; N257-Y313 PolarHBondContact N-O 3.49Å; N257-Y313 PolarHBondContact O-N 3.13Å; R259-Y313 HydrophobicContact CB-CD2 3.76Å; R259-Y313 HydrophobicContact CB-CE2 3.37Å; R259-Y313 HydrophobicContact CB-CG 4.48Å; R259-Y313 VanDerWaalsContact CD-CZ 3.49Å; R259-Y313 WeakPolarHBondContact CD-OH 3.26Å; R259-Y313 HydrophobicContact CG-CD2 4.42Å; R259-Y313 HydrophobicContact CG-CE1 4.24Å; R259-Y313 HydrophobicContact CG-CE2 3.65Å; R259-Y313 WeakPolarHBondContact CG-OH 2.82Å; R259-Y313 PolarHBondContact NE-OH 2.88Å; Y313-I326 HydrophobicContact CD1-CG2 4.35Å; Y313-I327 WeakPolarHBondContact CA-O 3.15Å; Y313-T328 HydrophobicContact CD1-CG2 3.89Å; Y313-T328 HydrophobicContact CE1-CG2 3.51Å; Y313-E351 HydrophobicContact CD1-CG 3.94Å; Y313-E351 HydrophobicContact CD2-CG 4.08Å; Y313-E351 HydrophobicContact CG-CG 3.64Å; Y313-Y354 WeakPolarHBondContact OH-CA 3.29Å; Y313-Y354 PolarHBondContact OH-O 2.94Å; Y313-D355 PolarHBondContact OH-N 3.31Å; Y313-D355 PolarHBondContact OH-OD1 2.71Å
314	F	98.7	Very high	96.4	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	124.1	166.7	-62.1	-65.6	0	0	0	109.4	L254 M256 L285 T286 L303 M308 A312 I326 I327 R329	L254-F314 HydrophobicContact CD1-CB 4.19Å; L254-F314 HydrophobicContact CD1-CD1 4.32Å; M256-F314 HydrophobicContact CB-CD1 3.98Å; M256-F314 HydrophobicContact CB-CE1 4.04Å; M256-F314 HydrophobicContact CG-CD1 3.85Å; M256-F314 HydrophobicContact CG-CE1 3.55Å; L285-F314 HydrophobicContact CD2-CE2 4.09Å; L285-F314 HydrophobicContact CD2-CZ 3.93Å; T286-F314 WeakPolarHBondContact OG1-CE1 3.2Å; L303-F314 HydrophobicContact CB-CB 4.46Å; L303-F314 HydrophobicContact CB-CD2 3.95Å; L303-F314 HydrophobicContact CB-CE2 4.48Å; L303-F314 HydrophobicContact CB-CG 4.28Å; L303-F314 HydrophobicContact CD1-CB 4.23Å; L303-F314 HydrophobicContact CD1-CG 4.46Å; L303-F314 HydrophobicContact CD2-CB 4.42Å; L303-F314 HydrophobicContact CD2-CD1 3.79Å; L303-F314 HydrophobicContact CD2-CD2 3.9Å; L303-F314 HydrophobicContact CD2-CE1 3.93Å; L303-F314 HydrophobicContact CD2-CE2 4.02Å; L303-F314 HydrophobicContact CD2-CG 3.78Å; L303-F314 HydrophobicContact CD2-CZ 4.04Å; L303-F314 HydrophobicContact CG-CD2 4.45Å; L303-F314 HydrophobicContact CG-CG 4.39Å; M308-F314 HydrophobicContact CE-CE2 3.86Å; M308-F314 HydrophobicContact CE-CZ 4.29Å; M308-F314 HydrophobicContact SD-CE2 3.48Å; M308-F314 WeakPolarHBondContact SD-CE2 3.28Å; M308-F314 HydrophobicContact SD-CZ 3.47Å; M308-F314 WeakPolarHBondContact SD-CZ 3.32Å; A312-F314 HydrophobicContact CB-CE1 4.46Å; A312-F314 HydrophobicContact CB-CE2 4.38Å; A312-F314 HydrophobicContact CB-CZ 4.19Å; F314-I326 CarbonylContact O-C 3.51Å; F314-I326 WeakPolarHBondContact O-CA 3.43Å; F314-I327 HydrophobicContact CB-CB 4.23Å; F314-I327 HydrophobicContact CB-CD1 4.41Å; F314-I327 PolarHBondContact N-O 2.82Å; F314-I327 PolarHBondContact O-N 3.4Å; F314-R329 HydrophobicContact CD2-CG 3.91Å; F314-R329 HydrophobicContact CE2-CG 3.99Å
315	I	98.9	Very high	96.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	119	175.2	-56.1	83.8	0	0	0	105.9	V179 H190 L254 T255 N257 C325 I326 E351	V179-I315 HydrophobicContact CB-CG2 4.43Å; V179-I315 HydrophobicContact CG2-CG2 3.52Å; H190-I315 PolarHBondContact CE1-O 3Å; H190-I315 VanDerWaalsContact CE1-O 3.25Å; L254-I315 WeakPolarHBondContact CA-O 3.34Å; T255-I315 PolarHBondContact N-O 3.03Å; T255-I315 PolarHBondContact O-N 3.15Å; T255-I315 WeakPolarHBondContact OG1-CB 3.48Å; N257-I315 HydrophobicContact CB-CD1 4.26Å; I315-C325 WeakPolarHBondContact CA-O 3.39Å; I315-I326 HydrophobicContact CG1-CG1 4.23Å; I315-E351 HydrophobicContact CD1-CB 3.99Å; I315-E351 HydrophobicContact CD1-CG 4.35Å; I315-E351 HydrophobicContact CG1-CB 3.82Å
316	L	98.9	Very high	96.5	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	127.9	-171.1	-176.6	75.2	0	0	0	109.2	F252 T253 L254 Y296 A299 K300 L303 G324 C325	F252-L316 HydrophobicContact CB-CD1 4.21Å; F252-L316 HydrophobicContact CD2-CD1 3.75Å; F252-L316 HydrophobicContact CE2-CD1 4.48Å; F252-L316 HydrophobicContact CG-CD1 4.2Å; T253-L316 WeakPolarHBondContact O-CA 3.02Å; T253-L316 WeakPolarHBondContact O-CD1 3Å; L254-L316 HydrophobicContact CB-CD1 4.26Å; L254-L316 HydrophobicContact CD1-CD1 4.09Å; Y296-L316 HydrophobicContact CD2-CD2 3.53Å; Y296-L316 HydrophobicContact CD2-CG 3.67Å; Y296-L316 HydrophobicContact CE2-CB 4.21Å; Y296-L316 HydrophobicContact CE2-CD2 3.41Å; Y296-L316 VanDerWaalsContact CE2-CD2 3.41Å; Y296-L316 HydrophobicContact CE2-CG 3.54Å; Y296-L316 HydrophobicContact CG-CD2 4.39Å; A299-L316 HydrophobicContact CB-CD1 4.06Å; A299-L316 HydrophobicContact CB-CD2 4.19Å; K300-L316 HydrophobicContact CB-CD2 3.7Å; K300-L316 HydrophobicContact CG-CD2 4.43Å; L303-L316 HydrophobicContact CD1-CD1 4.05Å; L303-L316 HydrophobicContact CD1-CD2 4.32Å; L316-G324 CarbonylContact O-C 3.16Å; L316-G324 VanDerWaalsContact O-CA 3.29Å; L316-G324 WeakPolarHBondContact O-CA 3.41Å; L316-C325 PolarHBondContact N-O 3.28Å; L316-C325 PolarHBondContact O-N 3.28Å
317	G	98.8	Very high	96.6	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128.3	172.8	0	0	0	0	0	110.7	F252 T253 E323	F252-G317 CarbonylContact C-O 3.47Å; F252-G317 WeakPolarHBondContact CA-O 3.27Å; F252-G317 VanDerWaalsContact CB-O 3.26Å; F252-G317 WeakPolarHBondContact CB-O 3.41Å; T253-G317 PolarHBondContact N-O 3.33Å; T253-G317 PolarHBondContact O-N 3.01Å; T253-G317 PolarHBondContact OG1-O 3.18Å; G317-E323 CarbonylContact C-O 3.51Å; G317-E323 WeakPolarHBondContact CA-O 3.45Å
318	G	98.4	Very high	96.8	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.091	C	C	.	.			trans	-93.7	-160.4	176.6	0	0	0	0	0	113.1	L251 E323 V409	L251-G318 WeakPolarHBondContact O-CA 3.16Å; G318-E323 WeakPolarHBondContact CA-OE2 3.35Å; G318-E323 PolarHBondContact N-O 2.87Å; G318-V409 WeakPolarHBondContact O-CB 3.47Å; G318-V409 VanDerWaalsContact O-CG2 3.3Å; G318-V409 WeakPolarHBondContact O-CG2 3.34Å
319	N	97.1	Very high	96.9	Very high	46 Å²	46	15.9 Å²	15.9	25%	0.246	9%	0.091	C	C	.	.	S	Bend	trans	-115	7.7	-174.5	-159.5	27.3	0	0	0	113.1	H250 L251 E323 V409 S410	H250-N319 PolarHBondContact O-ND2 3.22Å; L251-N319 PolarHBondContact O-N 3.02Å; N319-E323 PolarHBondContact N-OE2 2.79Å; N319-V409 HydrophobicContact CB-CG1 3.63Å; N319-S410 WeakPolarHBondContact OD1-CA 3.44Å; N319-S410 WeakPolarHBondContact OD1-CB 3.46Å; N319-S410 PolarHBondContact OD1-N 3.4Å
320	Q	97.3	Very high	97.1	Very high	114 Å²	114	16.7 Å²	16.7	53%	0.533	10%	0.097	S	C	.	.	S	Bend	trans	-120.9	150.5	175	-58.2	-61.5	-42.3	0	0	111.2	L188 G322 E323	L188-Q320 VanDerWaalsContact CD2-O 3.31Å; L188-Q320 WeakPolarHBondContact CD2-O 3.45Å; Q320-G322 PolarHBondContact O-N 2.75Å; Q320-E323 HydrophobicContact CB-CG 3.91Å; Q320-E323 PolarHBondContact N-OE2 2.97Å; Q320-E323 VanDerWaalsContact O-CB 3.25Å; Q320-E323 WeakPolarHBondContact O-CB 3.38Å; Q320-E323 PolarHBondContact O-N 3.36Å
321	P	96.9	Very high	97.2	Very high	80 Å²	80	17.1 Å²	17.1	52%	0.519	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.8	134.1	172.8	-27.2	35.2	0	0	0	112.2	Q181 E323	Q181-P321 VanDerWaalsContact OE1-CA 3.29Å; P321-E323 VanDerWaalsContact C-N 3.28Å; P321-E323 PolarHBondContact O-N 3.26Å
322	G	96.8	Very high	97.1	Very high	29 Å²	29	22.5 Å²	22.5	30%	0.299	12%	0.124	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.6	-10.8	-176.1	0	0	0	0	0	114.6	Q320 G324	Q320-G322 PolarHBondContact O-N 2.75Å; G322-G324 PolarHBondContact O-N 3.31Å
323	E	98.3	Very high	96.9	Very high	48 Å²	48	28 Å²	28	22%	0.224	15%	0.153	C	C	.	.			trans	-78.7	71.3	174.5	-63.8	-171.5	141.2	0	0	110.8	Y296 G317 G318 N319 Q320 P321	Y296-E323 HydrophobicContact CD1-CB 3.81Å; Y296-E323 HydrophobicContact CD1-CG 3.63Å; Y296-E323 WeakPolarHBondContact CD1-OE1 3.43Å; Y296-E323 HydrophobicContact CD2-CB 4.05Å; Y296-E323 HydrophobicContact CE1-CB 3.81Å; Y296-E323 HydrophobicContact CE1-CG 3.86Å; Y296-E323 HydrophobicContact CE2-CB 4.04Å; Y296-E323 HydrophobicContact CG-CB 3.94Å; Y296-E323 HydrophobicContact CG-CG 4.1Å; G317-E323 CarbonylContact C-O 3.51Å; G317-E323 WeakPolarHBondContact CA-O 3.45Å; G318-E323 WeakPolarHBondContact CA-OE2 3.35Å; G318-E323 PolarHBondContact N-O 2.87Å; N319-E323 PolarHBondContact N-OE2 2.79Å; Q320-E323 HydrophobicContact CB-CG 3.91Å; Q320-E323 PolarHBondContact N-OE2 2.97Å; Q320-E323 VanDerWaalsContact O-CB 3.25Å; Q320-E323 WeakPolarHBondContact O-CB 3.38Å; Q320-E323 PolarHBondContact O-N 3.36Å; P321-E323 VanDerWaalsContact C-N 3.28Å; P321-E323 PolarHBondContact O-N 3.26Å
324	G	98.5	Very high	96.8	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	129.4	169.5	0	0	0	0	0	109.4	Y296 L316 G322 D339 I340	Y296-G324 PolarHBondContact OH-N 3.43Å; L316-G324 CarbonylContact O-C 3.16Å; L316-G324 VanDerWaalsContact O-CA 3.29Å; L316-G324 WeakPolarHBondContact O-CA 3.41Å; G322-G324 PolarHBondContact O-N 3.31Å; G324-D339 CarbonylContact O-C 3.58Å; G324-D339 WeakPolarHBondContact O-CA 3.16Å; G324-I340 PolarHBondContact O-N 3.12Å
325	C	98.8	Very high	96.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	161.5	178.3	65.4	0	0	0	0	114.5	Y296 I315 L316 V337 L338 D339	Y296-C325 PolarHBondContact OH-SG 3.49Å; I315-C325 WeakPolarHBondContact CA-O 3.39Å; L316-C325 PolarHBondContact N-O 3.28Å; L316-C325 PolarHBondContact O-N 3.28Å; C325-V337 HydrophobicContact CB-CG1 4.23Å; C325-L338 CarbonylContact C-O 3.51Å; C325-L338 WeakPolarHBondContact CA-O 3.22Å; C325-L338 WeakPolarHBondContact CB-O 3.29Å; C325-D339 HydrophobicContact CB-CB 4.47Å; C325-D339 VanDerWaalsContact CB-OD1 3.3Å; C325-D339 WeakPolarHBondContact CB-OD1 3.43Å
326	I	98.8	Very high	96.6	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	124.7	163.1	-59.9	160.7	0	0	0	107.3	Y313 F314 I315 V337 L338 V349 E351	Y313-I326 HydrophobicContact CD1-CG2 4.35Å; F314-I326 CarbonylContact O-C 3.51Å; F314-I326 WeakPolarHBondContact O-CA 3.43Å; I315-I326 HydrophobicContact CG1-CG1 4.23Å; I326-V337 CarbonylContact O-C 3.57Å; I326-V337 WeakPolarHBondContact O-CA 3.47Å; I326-L338 HydrophobicContact CB-CB 4.44Å; I326-L338 HydrophobicContact CD1-CD2 4.34Å; I326-L338 PolarHBondContact N-O 3.2Å; I326-L338 PolarHBondContact O-N 2.9Å; I326-V349 HydrophobicContact CD1-CB 3.77Å; I326-V349 HydrophobicContact CD1-CG2 4.45Å; I326-V349 HydrophobicContact CG1-CB 3.91Å; I326-V349 HydrophobicContact CG1-CG2 4.08Å; I326-E351 HydrophobicContact CD1-CB 3.81Å; I326-E351 HydrophobicContact CG1-CB 4.05Å; I326-E351 HydrophobicContact CG2-CB 4.23Å; I326-E351 HydrophobicContact CG2-CG 4.06Å
327	I	98.8	Very high	96.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	107	173.4	-50.8	170.9	0	0	0	106.9	K300 L303 A304 Y313 F314 R329 V337	K300-I327 HydrophobicContact CG-CD1 4.04Å; L303-I327 HydrophobicContact CB-CD1 3.69Å; L303-I327 HydrophobicContact CD1-CD1 4.34Å; A304-I327 HydrophobicContact CB-CG2 4.23Å; Y313-I327 WeakPolarHBondContact CA-O 3.15Å; F314-I327 HydrophobicContact CB-CB 4.23Å; F314-I327 HydrophobicContact CB-CD1 4.41Å; F314-I327 PolarHBondContact N-O 2.82Å; F314-I327 PolarHBondContact O-N 3.4Å; I327-R329 HydrophobicContact CG2-CG 3.98Å; I327-V337 HydrophobicContact CG2-CG2 4.29Å
328	T	98.5	Very high	96.6	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	118.2	176.9	-57.8	0	0	0	0	109.4	Y313 I335 D336 W357	Y313-T328 HydrophobicContact CD1-CG2 3.89Å; Y313-T328 HydrophobicContact CE1-CG2 3.51Å; T328-I335 HydrophobicContact CG2-CB 4.22Å; T328-I335 HydrophobicContact CG2-CD1 4.34Å; T328-I335 WeakPolarHBondContact O-CB 3.36Å; T328-I335 PolarHBondContact O-N 2.88Å; T328-D336 PolarHBondContact N-O 2.98Å; T328-D336 PolarHBondContact O-N 2.79Å; T328-W357 HydrophobicContact CG2-CH2 3.7Å; T328-W357 HydrophobicContact CG2-CZ3 4.26Å
329	R	96.9	Very high	96.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	140.1	-172.8	-65.3	-64.7	-50.4	-78.2	-3.9	112.8	R259 L303 A304 T306 M308 P311 A312 F314 I327 L333	R259-R329 WeakPolarHBondContact CD-O 3.22Å; L303-R329 WeakPolarHBondContact O-CD 3.3Å; L303-R329 PolarHBondContact O-NH1 3.31Å; A304-R329 VanDerWaalsContact O-CZ 3.29Å; A304-R329 PolarHBondContact O-NE 3.09Å; T306-R329 PolarHBondContact O-NH1 2.84Å; T306-R329 PolarHBondContact O-NH2 3.32Å; M308-R329 HydrophobicContact CE-CB 3.36Å; M308-R329 HydrophobicContact CE-CG 3.73Å; P311-R329 WeakPolarHBondContact CB-O 3.43Å; A312-R329 PolarHBondContact N-O 2.99Å; A312-R329 WeakPolarHBondContact O-CB 3.27Å; A312-R329 PolarHBondContact O-N 3.41Å; F314-R329 HydrophobicContact CD2-CG 3.91Å; F314-R329 HydrophobicContact CE2-CG 3.99Å; I327-R329 HydrophobicContact CG2-CG 3.98Å; R329-L333 WeakPolarHBondContact CA-O 3.35Å; R329-L333 PolarHBondContact NE-O 2.86Å
330	S	93.8	Very high	96.6	Very high	28 Å²	28	40.9 Å²	40.9	20%	0.196	23%	0.226	C	C	.	.			trans	-86.6	-179.5	149.3	71.1	0	0	0	0	109.3	E332 L333	S330-E332 PolarHBondContact O-N 3Å; S330-E332 PolarHBondContact OG-N 2.83Å; S330-L333 PolarHBondContact N-O 2.86Å; S330-L333 PolarHBondContact OG-N 3.05Å; S330-L333 PolarHBondContact OG-O 2.93Å
331	R	90.9	Very high	96.6	Very high	10 Å²	10	38.1 Å²	38.1	4%	0.038	22%	0.215	C	C	.	.	S	Bend	trans	-54.9	-36.8	171.5	-65.2	175.9	65.4	-150.5	-10.9	111.9	D263 I267 E271 K307 M308 L309	D263-R331 VanDerWaalsContact CG-CD 3.48Å; D263-R331 WeakPolarHBondContact O-CD 3.48Å; D263-R331 WeakPolarHBondContact OD1-CD 3.41Å; D263-R331 IonicContact OD1-CZ 3.76Å; D263-R331 IonicContact OD1-NE 2.75Å; D263-R331 IonicContact OD1-NH1 2.96Å; D263-R331 PolarHBondContact OD1-NH1 2.93Å; D263-R331 IonicContact OD2-NH1 3.84Å; I267-R331 VanDerWaalsContact CG2-NH1 3.33Å; E271-R331 IonicContact OE1-CZ 2.81Å; E271-R331 IonicContact OE1-NH1 3.36Å; E271-R331 PolarHBondContact OE1-NH1 3.39Å; E271-R331 IonicContact OE1-NH2 2.78Å; E271-R331 PolarHBondContact OE1-NH2 3.28Å; E271-R331 IonicContact OE2-CZ 3.9Å; E271-R331 IonicContact OE2-NH1 2.75Å; E271-R331 IonicContact OE2-NH2 2.64Å; E271-R331 PolarHBondContact OE2-NH2 3.36Å; K307-R331 CarbonylContact C-O 3.58Å; M308-R331 PolarHBondContact N-O 2.89Å; M308-R331 WeakPolarHBondContact O-CB 3.35Å; L309-R331 WeakPolarHBondContact O-CD 3.43Å; L309-R331 PolarHBondContact O-NE 2.79Å
332	E	89.9	Confident	96.5	Very high	113 Å²	113	37 Å²	37	53%	0.528	21%	0.207	S	C	.	.	S	Bend	trans	-110.9	-27.5	-170.9	-57.3	-167.2	156.1	0	0	114.3	K307 S330	K307-E332 WeakPolarHBondContact CE-OE1 3.41Å; K307-E332 HydrophobicContact CG-CG 4.45Å; K307-E332 IonicContact NZ-OE1 2.66Å; S330-E332 PolarHBondContact O-N 3Å; S330-E332 PolarHBondContact OG-N 2.83Å
333	L	92.4	Very high	96.4	Very high	116 Å²	116	45.1 Å²	45.1	61%	0.607	23%	0.233	S	C	*	.	S	Bend	trans	-129.4	156.6	-167.3	-59.3	174.6	0	0	0	112	R329 S330	R329-L333 WeakPolarHBondContact CA-O 3.35Å; R329-L333 PolarHBondContact NE-O 2.86Å; S330-L333 PolarHBondContact N-O 2.86Å; S330-L333 PolarHBondContact OG-N 3.05Å; S330-L333 PolarHBondContact OG-O 2.93Å
334	S	94.7	Very high	96.3	Very high	44 Å²	44	48.2 Å²	48.2	31%	0.308	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	115.9	159	-165.9	0	0	0	0	108.4
335	I	96.9	Very high	96.1	Very high	76 Å²	76	54.2 Å²	54.2	39%	0.39	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	-45.7	-180	-60.4	172.8	0	0	0	109.5	T328 W357	T328-I335 HydrophobicContact CG2-CB 4.22Å; T328-I335 HydrophobicContact CG2-CD1 4.34Å; T328-I335 WeakPolarHBondContact O-CB 3.36Å; T328-I335 PolarHBondContact O-N 2.88Å; I335-W357 HydrophobicContact CB-CH2 4.47Å; I335-W357 HydrophobicContact CG2-CH2 3.64Å; I335-W357 HydrophobicContact CG2-CZ2 3.83Å
336	D	97.9	Very high	96	Very high	56 Å²	56	58.1 Å²	58.1	30%	0.299	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	152.1	-178.4	-175.6	74.4	0	0	0	110.6	T328 H356 W357	T328-D336 PolarHBondContact N-O 2.98Å; T328-D336 PolarHBondContact O-N 2.79Å; D336-H356 IonicContact OD2-CD2 3.21Å; D336-H356 IonicContact OD2-CE1 3.67Å; D336-H356 IonicContact OD2-NE2 3.53Å; D336-H356 PolarHBondContact OD2-NE2 3.5Å; D336-W357 HydrophobicContact CB-CE3 4.44Å; D336-W357 HydrophobicContact CB-CH2 3.86Å; D336-W357 HydrophobicContact CB-CZ3 3.5Å; D336-W357 VanDerWaalsContact CB-CZ3 3.5Å
337	V	98.1	Very high	96	Very high	50 Å²	50	58.7 Å²	58.7	30%	0.303	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	112	172.5	-178.8	0	0	0	0	108.7	C325 I326 I327	C325-V337 HydrophobicContact CB-CG1 4.23Å; I326-V337 CarbonylContact O-C 3.57Å; I326-V337 WeakPolarHBondContact O-CA 3.47Å; I327-V337 HydrophobicContact CG2-CG2 4.29Å
338	L	98.3	Very high	96	Very high	33 Å²	33	59.7 Å²	59.7	17%	0.173	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	104	178.1	-177.7	63.9	0	0	0	109.8	C325 I326 V349	C325-L338 CarbonylContact C-O 3.51Å; C325-L338 WeakPolarHBondContact CA-O 3.22Å; C325-L338 WeakPolarHBondContact CB-O 3.29Å; I326-L338 HydrophobicContact CB-CB 4.44Å; I326-L338 HydrophobicContact CD1-CD2 4.34Å; I326-L338 PolarHBondContact N-O 3.2Å; I326-L338 PolarHBondContact O-N 2.9Å; L338-V349 HydrophobicContact CG-CG1 4.3Å
339	D	98.3	Very high	96	Very high	53 Å²	53	59.8 Å²	59.8	28%	0.283	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	148.5	176.9	-72.5	-78.4	0	0	0	112.4	K300 G324 C325 D341 R346	K300-D339 IonicContact NZ-OD1 3.54Å; K300-D339 PolarHBondContact NZ-OD1 2.86Å; K300-D339 IonicContact NZ-OD2 3.74Å; K300-D339 PolarHBondContact NZ-OD2 3.48Å; G324-D339 CarbonylContact O-C 3.58Å; G324-D339 WeakPolarHBondContact O-CA 3.16Å; C325-D339 HydrophobicContact CB-CB 4.47Å; C325-D339 VanDerWaalsContact CB-OD1 3.3Å; C325-D339 WeakPolarHBondContact CB-OD1 3.43Å; D339-D341 PolarHBondContact O-N 3.24Å; D339-R346 PolarHBondContact O-NE 3.17Å; D339-R346 PolarHBondContact O-NH2 2.79Å
340	I	98.1	Very high	96.1	Very high	8 Å²	8	60.3 Å²	60.3	4%	0.041	31%	0.307	C	S	.	.			trans	-55.2	130.1	160.9	-74.7	-176.8	0	0	0	108	V179 Q181 L188 G324 V342 R346 V349	V179-I340 HydrophobicContact CG1-CD1 3.97Å; Q181-I340 HydrophobicContact CB-CD1 4.48Å; L188-I340 HydrophobicContact CD1-CD1 4.01Å; G324-I340 PolarHBondContact O-N 3.12Å; I340-V342 HydrophobicContact CG2-CG2 4.1Å; I340-R346 WeakPolarHBondContact CG2-O 3.38Å; I340-V349 HydrophobicContact CG1-CG1 3.92Å; I340-V349 HydrophobicContact CG1-CG2 4.26Å
341	D	97.3	Very high	96.3	Very high	56 Å²	56	59 Å²	59	30%	0.299	30%	0.298	S	S	.	.	B	Isolated β-bridge	trans	-142.1	93.4	173.5	-170.1	-14.5	0	0	0	108.9	D339 K343 L344 D345 R346	D339-D341 PolarHBondContact O-N 3.24Å; D341-K343 PolarHBondContact O-N 2.91Å; D341-K343 WeakPolarHBondContact OD1-CB 3.41Å; D341-K343 PolarHBondContact OD1-N 3.37Å; D341-L344 HydrophobicContact CB-CB 4.31Å; D341-L344 HydrophobicContact CB-CD1 4.28Å; D341-L344 HydrophobicContact CB-CG 4.35Å; D341-L344 CarbonylContact O-C 3.54Å; D341-L344 PolarHBondContact O-N 3.03Å; D341-L344 WeakPolarHBondContact OD2-CD1 3.38Å; D341-D345 PolarHBondContact O-N 2.97Å; D341-R346 CarbonylContact C-O 3.58Å; D341-R346 PolarHBondContact N-O 2.9Å; D341-R346 PolarHBondContact O-N 2.85Å
342	V	94.8	Very high	96.6	Very high	57 Å²	57	58.5 Å²	58.5	35%	0.345	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-62.4	-25	-178.2	-177.4	0	0	0	0	111.6	I340 L344 D345 W347	I340-V342 HydrophobicContact CG2-CG2 4.1Å; V342-L344 PolarHBondContact O-N 3.09Å; V342-D345 PolarHBondContact O-N 3.47Å; V342-D345 VanDerWaalsContact O-N 3.11Å; V342-W347 HydrophobicContact CG2-CB 4.41Å
343	K	94.4	Very high	96.9	Very high	198 Å²	198	53.2 Å²	53.2	86%	0.861	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-69.3	-23.7	176.4	-59.8	178.1	-178.9	175.2	0	112.1	D341	D341-K343 PolarHBondContact O-N 2.91Å; D341-K343 WeakPolarHBondContact OD1-CB 3.41Å; D341-K343 PolarHBondContact OD1-N 3.37Å
344	L	95.8	Very high	96.9	Very high	114 Å²	114	49.8 Å²	49.8	60%	0.597	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-99.9	19.8	174.2	-59.1	180	0	0	0	112.1	D341 V342 R346	D341-L344 HydrophobicContact CB-CB 4.31Å; D341-L344 HydrophobicContact CB-CD1 4.28Å; D341-L344 HydrophobicContact CB-CG 4.35Å; D341-L344 CarbonylContact O-C 3.54Å; D341-L344 PolarHBondContact O-N 3.03Å; D341-L344 WeakPolarHBondContact OD2-CD1 3.38Å; V342-L344 PolarHBondContact O-N 3.09Å; L344-R346 PolarHBondContact O-N 3.49Å; L344-R346 VanDerWaalsContact O-N 3.11Å
345	D	94.8	Very high	97	Very high	125 Å²	125	48 Å²	48	67%	0.668	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	18.8	-175.7	-161.5	34.5	0	0	0	114.3	D341 V342 W347	D341-D345 PolarHBondContact O-N 2.97Å; V342-D345 PolarHBondContact O-N 3.47Å; V342-D345 VanDerWaalsContact O-N 3.11Å; D345-W347 PolarHBondContact O-N 3.37Å
346	R	97.6	Very high	97	Very high	82 Å²	82	47.2 Å²	47.2	31%	0.309	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-96.3	78	175.1	-174.1	168.6	52.6	-122.7	-7.1	109.7	D339 I340 D341 L344 Y348	D339-R346 PolarHBondContact O-NE 3.17Å; D339-R346 PolarHBondContact O-NH2 2.79Å; I340-R346 WeakPolarHBondContact CG2-O 3.38Å; D341-R346 CarbonylContact C-O 3.58Å; D341-R346 PolarHBondContact N-O 2.9Å; D341-R346 PolarHBondContact O-N 2.85Å; L344-R346 PolarHBondContact O-N 3.49Å; L344-R346 VanDerWaalsContact O-N 3.11Å; R346-Y348 WeakPolarHBondContact CG-O 3.25Å
347	W	98.1	Very high	96.9	Very high	13 Å²	13	50.3 Å²	50.3	5%	0.049	24%	0.24	C	C	.	.			trans	-87	-4.1	179.1	59.5	-89.9	0	0	0	114.2	A180 Q181 V342 D345 M374 Q379 I382	A180-W347 HydrophobicContact CB-CE3 4.3Å; A180-W347 HydrophobicContact CB-CZ3 4.12Å; Q181-W347 PolarHBondContact N-O 2.92Å; V342-W347 HydrophobicContact CG2-CB 4.41Å; D345-W347 PolarHBondContact O-N 3.37Å; W347-M374 HydrophobicContact CH2-CB 4.48Å; W347-M374 HydrophobicContact CH2-CE 3.78Å; W347-M374 WeakPolarHBondContact CH2-O 3.34Å; W347-M374 WeakPolarHBondContact CZ2-O 3.32Å; W347-M374 HydrophobicContact CZ3-CE 3.69Å; W347-Q379 HydrophobicContact CB-CB 4.31Å; W347-Q379 HydrophobicContact CB-CG 3.7Å; W347-Q379 HydrophobicContact CD2-CB 3.63Å; W347-Q379 HydrophobicContact CD2-CG 3.75Å; W347-Q379 HydrophobicContact CE3-CB 4Å; W347-Q379 HydrophobicContact CE3-CG 3.88Å; W347-Q379 HydrophobicContact CG-CB 3.77Å; W347-Q379 HydrophobicContact CG-CG 3.68Å; W347-I382 HydrophobicContact CZ3-CB 3.96Å; W347-I382 HydrophobicContact CZ3-CD1 4.48Å; W347-I382 HydrophobicContact CZ3-CG1 4.11Å; W347-I382 HydrophobicContact CZ3-CG2 4.24Å
348	Y	98.8	Very high	96.8	Very high	21 Å²	21	53.4 Å²	53.4	8%	0.082	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	158.3	169.9	69.4	-86.8	0	0	0	111	V179 R346 L350 M371 M374 N375	V179-Y348 CarbonylContact O-C 3.5Å; V179-Y348 WeakPolarHBondContact O-CA 3.27Å; V179-Y348 WeakPolarHBondContact O-CB 3.38Å; R346-Y348 WeakPolarHBondContact CG-O 3.25Å; Y348-L350 HydrophobicContact CD2-CB 4.09Å; Y348-L350 HydrophobicContact CE2-CB 4.11Å; Y348-M371 HydrophobicContact CE2-CG 4.28Å; Y348-M374 HydrophobicContact CD1-CB 4.29Å; Y348-M374 HydrophobicContact CD1-CE 4.12Å; Y348-M374 HydrophobicContact CD2-CB 4.36Å; Y348-M374 HydrophobicContact CD2-CE 4.16Å; Y348-M374 HydrophobicContact CD2-CG 4.3Å; Y348-M374 HydrophobicContact CE1-CB 3.83Å; Y348-M374 HydrophobicContact CE2-CB 3.92Å; Y348-M374 HydrophobicContact CE2-CG 4.14Å; Y348-M374 HydrophobicContact CG-CE 3.79Å; Y348-N375 WeakPolarHBondContact CE1-OD1 3.44Å; Y348-N375 PolarHBondContact OH-OD1 3.21Å
349	V	98.8	Very high	96.5	Very high	3 Å²	3	60 Å²	60	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.8	164.7	-68.4	0	0	0	0	108.5	V178 V179 I326 L338 I340	V178-V349 WeakPolarHBondContact CA-O 3.41Å; V179-V349 HydrophobicContact CB-CG2 3.9Å; V179-V349 PolarHBondContact N-O 2.64Å; V179-V349 PolarHBondContact O-N 2.81Å; I326-V349 HydrophobicContact CD1-CB 3.77Å; I326-V349 HydrophobicContact CD1-CG2 4.45Å; I326-V349 HydrophobicContact CG1-CB 3.91Å; I326-V349 HydrophobicContact CG1-CG2 4.08Å; L338-V349 HydrophobicContact CG-CG1 4.3Å; I340-V349 HydrophobicContact CG1-CG1 3.92Å; I340-V349 HydrophobicContact CG1-CG2 4.26Å
350	L	98.6	Very high	96	Very high	11 Å²	11	58.5 Å²	58.5	6%	0.058	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	125.5	-176.2	-176	147.8	0	0	0	109.5	S177 V178 Y348 T352 R367 A370 M371 M374	S177-L350 WeakPolarHBondContact O-CA 3.29Å; V178-L350 HydrophobicContact CG2-CB 4.39Å; V178-L350 HydrophobicContact CG2-CD1 3.59Å; V178-L350 HydrophobicContact CG2-CG 3.86Å; Y348-L350 HydrophobicContact CD2-CB 4.09Å; Y348-L350 HydrophobicContact CE2-CB 4.11Å; L350-T352 HydrophobicContact CD2-CG2 4.26Å; L350-R367 HydrophobicContact CD2-CB 4.35Å; L350-R367 HydrophobicContact CD2-CG 4Å; L350-A370 HydrophobicContact CD1-CB 3.42Å; L350-A370 VanDerWaalsContact CD1-CB 3.42Å; L350-A370 HydrophobicContact CD2-CB 4.26Å; L350-A370 HydrophobicContact CG-CB 4.46Å; L350-M371 HydrophobicContact CD1-CG 4.37Å; L350-M371 HydrophobicContact CD2-CG 4.37Å; L350-M374 HydrophobicContact CD1-CG 4.24Å
351	E	98.6	Very high	95.3	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	139.8	178.4	-167.6	49.9	-91	0	0	111.6	T176 S177 N257 Y313 I315 I326 R367	T176-E351 WeakPolarHBondContact CA-O 3.25Å; S177-E351 PolarHBondContact N-O 2.99Å; S177-E351 PolarHBondContact O-N 3.47Å; N257-E351 PolarHBondContact ND2-O 2.87Å; Y313-E351 HydrophobicContact CD1-CG 3.94Å; Y313-E351 HydrophobicContact CD2-CG 4.08Å; Y313-E351 HydrophobicContact CG-CG 3.64Å; I315-E351 HydrophobicContact CD1-CB 3.99Å; I315-E351 HydrophobicContact CD1-CG 4.35Å; I315-E351 HydrophobicContact CG1-CB 3.82Å; I326-E351 HydrophobicContact CD1-CB 3.81Å; I326-E351 HydrophobicContact CG1-CB 4.05Å; I326-E351 HydrophobicContact CG2-CB 4.23Å; I326-E351 HydrophobicContact CG2-CG 4.06Å; E351-R367 IonicContact OE1-CZ 2.69Å; E351-R367 IonicContact OE1-NH2 3.23Å; E351-R367 PolarHBondContact OE1-NH2 2.97Å; E351-R367 IonicContact OE2-NH2 2.8Å
352	T	96.8	Very high	94.4	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	31%	0.312	C	S	.	.			trans	-111.7	-109	171.6	57	0	0	0	0	108.7	C175 T176 N257 L350 R366 R367	C175-T352 CarbonylContact O-C 3.56Å; C175-T352 WeakPolarHBondContact O-CA 3.42Å; T176-T352 HydrophobicContact CG2-CG2 4.19Å; N257-T352 VanDerWaalsContact CB-O 3.27Å; N257-T352 WeakPolarHBondContact CB-O 3.42Å; N257-T352 PolarHBondContact ND2-O 3.48Å; L350-T352 HydrophobicContact CD2-CG2 4.26Å; T352-R366 HydrophobicContact CG2-CB 3.98Å; T352-R367 HydrophobicContact CG2-CB 4.12Å
353	N	95	Very high	93.6	Very high	2 Å²	2	69 Å²	69	1%	0.011	31%	0.314	C	S	.	.	S	Bend	trans	-137.5	23.6	-178	-62.9	98.7	0	0	0	113	V174 C175 E258 F260 R366	V174-N353 VanDerWaalsContact CG1-OD1 3.29Å; V174-N353 WeakPolarHBondContact CG1-OD1 3.41Å; C175-N353 PolarHBondContact N-OD1 3.33Å; C175-N353 PolarHBondContact O-OD1 3.28Å; C175-N353 VanDerWaalsContact O-OD1 3.09Å; E258-N353 PolarHBondContact O-ND2 3.49Å; F260-N353 HydrophobicContact CE2-CB 4.2Å; N353-R366 PolarHBondContact OD1-NH2 3.29Å
354	Y	94.4	Very high	93.2	Very high	44 Å²	44	60.2 Å²	60.2	17%	0.173	28%	0.277	C	S	.	.	S	Bend	trans	-133.5	155.4	-178.1	-52.7	-68.7	0	0	0	109.9	Y313 H356 F361 D364 R367	Y313-Y354 WeakPolarHBondContact OH-CA 3.29Å; Y313-Y354 PolarHBondContact OH-O 2.94Å; Y354-H356 PolarHBondContact O-N 3.28Å; Y354-F361 HydrophobicContact CD1-CB 4.34Å; Y354-F361 HydrophobicContact CE1-CB 3.54Å; Y354-F361 HydrophobicContact CE2-CB 4.24Å; Y354-F361 VanDerWaalsContact CZ-CB 3.48Å; Y354-F361 WeakPolarHBondContact OH-CB 3.29Å; Y354-D364 VanDerWaalsContact CE2-O 3.26Å; Y354-D364 WeakPolarHBondContact CE2-O 3.49Å; Y354-D364 WeakPolarHBondContact OH-CB 3.48Å; Y354-D364 PolarHBondContact OH-OD2 2.74Å; Y354-R367 PolarHBondContact O-NH2 3.38Å
355	D	96.9	Very high	93.1	Very high	7 Å²	7	57.1 Å²	57.1	4%	0.037	26%	0.261	C	S	.	.			trans	-65.3	139.3	177.6	-61.2	-31.6	0	0	0	109.9	R259 Y313 W357 K358 R367	R259-D355 IonicContact CZ-OD1 3.32Å; R259-D355 IonicContact CZ-OD2 3.92Å; R259-D355 IonicContact NE-OD1 3.27Å; R259-D355 PolarHBondContact NE-OD1 3.33Å; R259-D355 IonicContact NH2-OD1 3.03Å; R259-D355 PolarHBondContact NH2-OD1 2.67Å; R259-D355 IonicContact NH2-OD2 2.93Å; R259-D355 PolarHBondContact NH2-OD2 3.49Å; Y313-D355 PolarHBondContact OH-N 3.31Å; Y313-D355 PolarHBondContact OH-OD1 2.71Å; D355-W357 HydrophobicContact CB-CD2 3.83Å; D355-W357 HydrophobicContact CB-CE3 4.14Å; D355-W357 HydrophobicContact CB-CG 4.45Å; D355-W357 HydrophobicContact CB-CH2 3.96Å; D355-W357 HydrophobicContact CB-CZ2 3.62Å; D355-W357 HydrophobicContact CB-CZ3 4.19Å; D355-W357 PolarHBondContact O-N 2.75Å; D355-K358 HydrophobicContact CB-CB 4.41Å; D355-K358 HydrophobicContact CB-CD 4.05Å; D355-K358 HydrophobicContact CB-CG 4.14Å; D355-K358 PolarHBondContact O-N 3.3Å; D355-K358 WeakPolarHBondContact OD2-CE 3.25Å; D355-K358 IonicContact OD2-NZ 3.68Å; D355-K358 PolarHBondContact OD2-NZ 3.04Å; D355-R367 PolarHBondContact O-NH1 3.47Å
356	H	95.4	Very high	93.1	Very high	59 Å²	59	51.1 Å²	51.1	27%	0.273	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.9	-175	70.3	80.2	0	0	0	114.2	D336 Y354 K358	D336-H356 IonicContact OD2-CD2 3.21Å; D336-H356 IonicContact OD2-CE1 3.67Å; D336-H356 IonicContact OD2-NE2 3.53Å; D336-H356 PolarHBondContact OD2-NE2 3.5Å; Y354-H356 PolarHBondContact O-N 3.28Å; H356-K358 VanDerWaalsContact C-N 3.32Å
357	W	96.5	Very high	93	Very high	120 Å²	120	48.1 Å²	48.1	46%	0.455	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	4.6	173.7	60.6	89.1	0	0	0	114.2	T328 I335 D336 D355	T328-W357 HydrophobicContact CG2-CH2 3.7Å; T328-W357 HydrophobicContact CG2-CZ3 4.26Å; I335-W357 HydrophobicContact CB-CH2 4.47Å; I335-W357 HydrophobicContact CG2-CH2 3.64Å; I335-W357 HydrophobicContact CG2-CZ2 3.83Å; D336-W357 HydrophobicContact CB-CE3 4.44Å; D336-W357 HydrophobicContact CB-CH2 3.86Å; D336-W357 HydrophobicContact CB-CZ3 3.5Å; D336-W357 VanDerWaalsContact CB-CZ3 3.5Å; D355-W357 HydrophobicContact CB-CD2 3.83Å; D355-W357 HydrophobicContact CB-CE3 4.14Å; D355-W357 HydrophobicContact CB-CG 4.45Å; D355-W357 HydrophobicContact CB-CH2 3.96Å; D355-W357 HydrophobicContact CB-CZ2 3.62Å; D355-W357 HydrophobicContact CB-CZ3 4.19Å; D355-W357 PolarHBondContact O-N 2.75Å
358	K	95.6	Very high	92.9	Very high	116 Å²	116	51.1 Å²	51.1	50%	0.504	24%	0.237	S	C	.	.	S	Bend	trans	-114.5	152.4	176.2	-68.2	-179.9	-176.7	154.7	0	110.6	D355 H356 R367	D355-K358 HydrophobicContact CB-CB 4.41Å; D355-K358 HydrophobicContact CB-CD 4.05Å; D355-K358 HydrophobicContact CB-CG 4.14Å; D355-K358 PolarHBondContact O-N 3.3Å; D355-K358 WeakPolarHBondContact OD2-CE 3.25Å; D355-K358 IonicContact OD2-NZ 3.68Å; D355-K358 PolarHBondContact OD2-NZ 3.04Å; H356-K358 VanDerWaalsContact C-N 3.32Å; K358-R367 PolarHBondContact O-NH1 3.02Å
359	E	92	Very high	92.8	Very high	170 Å²	170	51.3 Å²	51.3	79%	0.794	24%	0.241	S	C	*	.	P	Polyproline II helix	trans	-61.7	142.1	168.9	-65.5	-58.6	150	0	0	110.8
360	P	88.8	Confident	92.7	Very high	23 Å²	23	51.2 Å²	51.2	15%	0.149	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-57.2	153.3	172	-22.7	33.5	0	0	0	111.9	F362 D365 R367	P360-F362 PolarHBondContact O-N 3.37Å; P360-D365 HydrophobicContact CB-CB 3.88Å; P360-D365 HydrophobicContact CG-CB 4.45Å; P360-D365 WeakPolarHBondContact CG-OD1 3.46Å; P360-R367 HydrophobicContact CG-CB 4.47Å
361	F	83.1	Confident	92.7	Very high	101 Å²	101	54.2 Å²	54.2	44%	0.443	26%	0.255	S	S	.	.	B	Isolated β-bridge	trans	-66	125.7	170.5	-177.5	-122.9	0	0	0	109.2	Y354 L363 D364	Y354-F361 HydrophobicContact CD1-CB 4.34Å; Y354-F361 HydrophobicContact CE1-CB 3.54Å; Y354-F361 HydrophobicContact CE2-CB 4.24Å; Y354-F361 VanDerWaalsContact CZ-CB 3.48Å; Y354-F361 WeakPolarHBondContact OH-CB 3.29Å; F361-L363 HydrophobicContact CD1-CB 4.04Å; F361-L363 HydrophobicContact CE1-CB 3.75Å; F361-L363 HydrophobicContact CE1-CD1 3.99Å; F361-L363 HydrophobicContact CE1-CG 4.12Å; F361-L363 HydrophobicContact CZ-CD1 4.14Å; F361-L363 HydrophobicContact CZ-CG 4.42Å; F361-L363 PolarHBondContact O-N 3.05Å; F361-D364 CarbonylContact O-C 3.33Å; F361-D364 PolarHBondContact O-N 3Å
362	F	77.7	Confident	92.7	Very high	167 Å²	167	59.8 Å²	59.8	73%	0.732	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-19.5	-168.3	71.7	-85.1	0	0	0	115.7	P360	P360-F362 PolarHBondContact O-N 3.37Å
363	L	78.4	Confident	92.8	Very high	74 Å²	74	60 Å²	60	39%	0.387	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-31.2	173.7	-64.1	176.2	0	0	0	112.6	F361 W428	F361-L363 HydrophobicContact CD1-CB 4.04Å; F361-L363 HydrophobicContact CE1-CB 3.75Å; F361-L363 HydrophobicContact CE1-CD1 3.99Å; F361-L363 HydrophobicContact CE1-CG 4.12Å; F361-L363 HydrophobicContact CZ-CD1 4.14Å; F361-L363 HydrophobicContact CZ-CG 4.42Å; F361-L363 PolarHBondContact O-N 3.05Å; L363-W428 HydrophobicContact CB-CZ2 4.31Å; L363-W428 HydrophobicContact CD2-CZ2 4.42Å; L363-W428 VanDerWaalsContact O-CD1 3.3Å; L363-W428 PolarHBondContact O-NE1 3.34Å
364	D	86.3	Confident	92.9	Very high	13 Å²	13	59.9 Å²	59.9	7%	0.07	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	-121.3	79.9	179.2	175.5	28.2	0	0	0	110.4	Y354 F361 R366	Y354-D364 VanDerWaalsContact CE2-O 3.26Å; Y354-D364 WeakPolarHBondContact CE2-O 3.49Å; Y354-D364 WeakPolarHBondContact OH-CB 3.48Å; Y354-D364 PolarHBondContact OH-OD2 2.74Å; F361-D364 CarbonylContact O-C 3.33Å; F361-D364 PolarHBondContact O-N 3Å; D364-R366 WeakPolarHBondContact OD1-CD 3.42Å; D364-R366 WeakPolarHBondContact OD1-CG 3.38Å; D364-R366 IonicContact OD1-CZ 3.84Å; D364-R366 IonicContact OD1-NE 2.64Å; D364-R366 PolarHBondContact OD1-NE 2.82Å; D364-R366 IonicContact OD1-NH2 2.93Å; D364-R366 IonicContact OD2-CZ 2.82Å; D364-R366 IonicContact OD2-NE 2.78Å; D364-R366 PolarHBondContact OD2-NE 2.66Å; D364-R366 IonicContact OD2-NH2 2.79Å; D364-R366 PolarHBondContact OD2-NH2 3.35Å
365	D	92.2	Very high	93.1	Very high	48 Å²	48	62.1 Å²	62.1	26%	0.257	30%	0.295	S	S	.	.			trans	-104.1	85.3	168.8	-173.3	5.1	0	0	0	111.4	P360 R367 T368 P369	P360-D365 HydrophobicContact CB-CB 3.88Å; P360-D365 HydrophobicContact CG-CB 4.45Å; P360-D365 WeakPolarHBondContact CG-OD1 3.46Å; D365-R367 PolarHBondContact OD1-N 2.98Å; D365-T368 VanDerWaalsContact CG-OG1 3.28Å; D365-T368 WeakPolarHBondContact OD1-CB 3.45Å; D365-T368 PolarHBondContact OD1-N 2.94Å; D365-T368 PolarHBondContact OD1-OG1 2.84Å; D365-T368 VanDerWaalsContact OD1-OG1 3.09Å; D365-T368 WeakPolarHBondContact OD2-CB 3.49Å; D365-T368 PolarHBondContact OD2-OG1 3.44Å; D365-P369 WeakPolarHBondContact O-CD 3.23Å; D365-P369 WeakPolarHBondContact O-CG 3.43Å
366	R	94.9	Very high	93.2	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	32%	0.322	C	S	.	.			trans	-88.4	-22.1	168.7	-71.8	172.9	-65.6	121.5	18.7	112.9	C175 T176 D195 T352 N353 D364 A370 P395 N398	C175-R366 PolarHBondContact O-NH1 2.98Å; T176-R366 PolarHBondContact OG1-NH1 2.98Å; D195-R366 IonicContact OD2-CZ 2.63Å; D195-R366 IonicContact OD2-NH1 3.98Å; D195-R366 PolarHBondContact OD2-NH1 2.86Å; T352-R366 HydrophobicContact CG2-CB 3.98Å; N353-R366 PolarHBondContact OD1-NH2 3.29Å; D364-R366 WeakPolarHBondContact OD1-CD 3.42Å; D364-R366 WeakPolarHBondContact OD1-CG 3.38Å; D364-R366 IonicContact OD1-CZ 3.84Å; D364-R366 IonicContact OD1-NE 2.64Å; D364-R366 PolarHBondContact OD1-NE 2.82Å; D364-R366 IonicContact OD1-NH2 2.93Å; D364-R366 IonicContact OD2-CZ 2.82Å; D364-R366 IonicContact OD2-NE 2.78Å; D364-R366 PolarHBondContact OD2-NE 2.66Å; D364-R366 IonicContact OD2-NH2 2.79Å; D364-R366 PolarHBondContact OD2-NH2 3.35Å; R366-A370 VanDerWaalsContact O-CB 3.24Å; R366-A370 WeakPolarHBondContact O-CB 3.45Å; R366-A370 PolarHBondContact O-N 3.1Å; R366-P395 WeakPolarHBondContact CD-O 3.41Å; R366-P395 HydrophobicContact CG-CB 4.24Å; R366-P395 HydrophobicContact CG-CG 4.16Å; R366-P395 WeakPolarHBondContact CG-O 3.26Å; R366-N398 WeakPolarHBondContact CD-ND2 3.42Å
367	R	96.1	Very high	93.3	Very high	19 Å²	19	66.9 Å²	66.9	7%	0.072	32%	0.316	C	S	.	.	H	α-helix	trans	-66.6	-52.6	-177.3	177.2	-176.9	-73.9	157.8	-1.3	111.1	L350 E351 T352 Y354 D355 K358 P360 D365 A370 M371	L350-R367 HydrophobicContact CD2-CB 4.35Å; L350-R367 HydrophobicContact CD2-CG 4Å; E351-R367 IonicContact OE1-CZ 2.69Å; E351-R367 IonicContact OE1-NH2 3.23Å; E351-R367 PolarHBondContact OE1-NH2 2.97Å; E351-R367 IonicContact OE2-NH2 2.8Å; T352-R367 HydrophobicContact CG2-CB 4.12Å; Y354-R367 PolarHBondContact O-NH2 3.38Å; D355-R367 PolarHBondContact O-NH1 3.47Å; K358-R367 PolarHBondContact O-NH1 3.02Å; P360-R367 HydrophobicContact CG-CB 4.47Å; D365-R367 PolarHBondContact OD1-N 2.98Å; R367-A370 PolarHBondContact O-N 2.68Å; R367-M371 HydrophobicContact CG-CG 4.29Å; R367-M371 HydrophobicContact CG-SD 3.85Å; R367-M371 WeakPolarHBondContact O-CG 3.49Å; R367-M371 PolarHBondContact O-N 2.87Å
368	T	96.1	Very high	93.4	Very high	75 Å²	75	64 Å²	64	46%	0.46	31%	0.312	S	S	.	.	H	α-helix	trans	-62.2	-47.5	-174.3	-53.4	0	0	0	0	112.3	D365 A370 M371 K372	D365-T368 VanDerWaalsContact CG-OG1 3.28Å; D365-T368 WeakPolarHBondContact OD1-CB 3.45Å; D365-T368 PolarHBondContact OD1-N 2.94Å; D365-T368 PolarHBondContact OD1-OG1 2.84Å; D365-T368 VanDerWaalsContact OD1-OG1 3.09Å; D365-T368 WeakPolarHBondContact OD2-CB 3.49Å; D365-T368 PolarHBondContact OD2-OG1 3.44Å; T368-A370 PolarHBondContact O-N 3.46Å; T368-M371 PolarHBondContact O-N 2.86Å; T368-K372 WeakPolarHBondContact O-CB 3.48Å; T368-K372 PolarHBondContact O-N 2.83Å
369	P	95.8	Very high	93.5	Very high	26 Å²	26	59.8 Å²	59.8	17%	0.169	29%	0.294	C	S	.	.	H	α-helix	trans	-62.8	-40.3	175.9	-22.8	35.3	0	0	0	112.7	D365 K372 C373 P395	D365-P369 WeakPolarHBondContact O-CD 3.23Å; D365-P369 WeakPolarHBondContact O-CG 3.43Å; P369-K372 WeakPolarHBondContact O-CB 3.46Å; P369-K372 PolarHBondContact O-N 3.46Å; P369-C373 PolarHBondContact O-N 3.44Å; P369-C373 PolarHBondContact O-SG 2.82Å; P369-P395 HydrophobicContact CG-CG 4.08Å
370	A	97.8	Very high	93.7	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-65.3	-45.1	178.9	0	0	0	0	0	111.7	L350 R366 R367 T368 K372 C373 M374 V390 V396	L350-A370 HydrophobicContact CD1-CB 3.42Å; L350-A370 VanDerWaalsContact CD1-CB 3.42Å; L350-A370 HydrophobicContact CD2-CB 4.26Å; L350-A370 HydrophobicContact CG-CB 4.46Å; R366-A370 VanDerWaalsContact O-CB 3.24Å; R366-A370 WeakPolarHBondContact O-CB 3.45Å; R366-A370 PolarHBondContact O-N 3.1Å; R367-A370 PolarHBondContact O-N 2.68Å; T368-A370 PolarHBondContact O-N 3.46Å; A370-K372 PolarHBondContact O-N 2.04Å; A370-C373 PolarHBondContact O-N 2.65Å; A370-C373 VanDerWaalsContact O-N 3.16Å; A370-M374 WeakPolarHBondContact O-CG 3.34Å; A370-M374 PolarHBondContact O-N 3.35Å; A370-V390 HydrophobicContact CB-CG1 4.42Å; A370-V396 HydrophobicContact CB-CG2 3.63Å
371	M	98.2	Very high	94.2	Very high	74 Å²	74	57.2 Å²	57.2	37%	0.365	29%	0.29	S	S	.	.	H	α-helix	trans	-62.1	-41.1	174.5	-71.9	-174.8	68.5	0	0	112	Y348 L350 R367 T368 C373 M374 N375	Y348-M371 HydrophobicContact CE2-CG 4.28Å; L350-M371 HydrophobicContact CD1-CG 4.37Å; L350-M371 HydrophobicContact CD2-CG 4.37Å; R367-M371 HydrophobicContact CG-CG 4.29Å; R367-M371 HydrophobicContact CG-SD 3.85Å; R367-M371 WeakPolarHBondContact O-CG 3.49Å; R367-M371 PolarHBondContact O-N 2.87Å; T368-M371 PolarHBondContact O-N 2.86Å; M371-C373 VanDerWaalsContact C-N 3.27Å; M371-C373 PolarHBondContact O-N 2.86Å; M371-M374 PolarHBondContact O-N 2.91Å; M371-N375 WeakPolarHBondContact O-CB 3.34Å; M371-N375 PolarHBondContact O-N 3.45Å; M371-N375 PolarHBondContact O-ND2 3.37Å
372	K	98.2	Very high	94.9	Very high	118 Å²	118	53 Å²	53	51%	0.513	27%	0.272	S	S	.	.	H	α-helix	trans	-55	-44.8	172.7	178.9	-173	173.8	-169	0	110.9	D62 T368 P369 A370 K376	D62-K372 IonicContact OD1-NZ 2.81Å; T368-K372 WeakPolarHBondContact O-CB 3.48Å; T368-K372 PolarHBondContact O-N 2.83Å; P369-K372 WeakPolarHBondContact O-CB 3.46Å; P369-K372 PolarHBondContact O-N 3.46Å; A370-K372 PolarHBondContact O-N 2.04Å; K372-K376 WeakPolarHBondContact O-CB 3.27Å; K372-K376 PolarHBondContact O-N 2.92Å
373	C	98.6	Very high	95.8	Very high	3 Å²	3	47 Å²	47	2%	0.02	25%	0.25	C	S	.	.	H	α-helix	trans	-75.3	-34.2	-179.3	-59.6	0	0	0	0	113.7	C63 P369 A370 M371 K376 T377 V390	C63-C373 WeakPolarHBondContact CA-SG 3.18Å; C63-C373 HydrophobicContact CB-CB 3.76Å; C63-C373 WeakPolarHBondContact CB-SG 3.38Å; C63-C373 WeakPolarHBondContact SG-CA 3.45Å; C63-C373 WeakPolarHBondContact SG-CB 3.19Å; C63-C373 CovalentContact SG-SG 2.04Å; C63-C373 PolarHBondContact SG-SG 3.44Å; P369-C373 PolarHBondContact O-N 3.44Å; P369-C373 PolarHBondContact O-SG 2.82Å; A370-C373 PolarHBondContact O-N 2.65Å; A370-C373 VanDerWaalsContact O-N 3.16Å; M371-C373 VanDerWaalsContact C-N 3.27Å; M371-C373 PolarHBondContact O-N 2.86Å; C373-K376 PolarHBondContact O-N 2.88Å; C373-T377 WeakPolarHBondContact O-CB 3.3Å; C373-T377 PolarHBondContact O-N 2.98Å; C373-T377 PolarHBondContact O-OG1 3.05Å; C373-V390 HydrophobicContact CB-CB 4.44Å; C373-V390 HydrophobicContact CB-CG1 4.19Å; C373-V390 HydrophobicContact CB-CG2 3.88Å
374	M	98.5	Very high	96.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-61.5	-47.7	170	-71.5	-60.6	-66.8	0	0	111.2	V178 A180 W347 Y348 L350 A370 M371 K376 T377 T378 I382 L387 V390	V178-M374 HydrophobicContact CG1-CE 3.71Å; V178-M374 HydrophobicContact CG1-SD 4.06Å; A180-M374 HydrophobicContact CB-CE 3.87Å; W347-M374 HydrophobicContact CH2-CB 4.48Å; W347-M374 HydrophobicContact CH2-CE 3.78Å; W347-M374 WeakPolarHBondContact CH2-O 3.34Å; W347-M374 WeakPolarHBondContact CZ2-O 3.32Å; W347-M374 HydrophobicContact CZ3-CE 3.69Å; Y348-M374 HydrophobicContact CD1-CB 4.29Å; Y348-M374 HydrophobicContact CD1-CE 4.12Å; Y348-M374 HydrophobicContact CD2-CB 4.36Å; Y348-M374 HydrophobicContact CD2-CE 4.16Å; Y348-M374 HydrophobicContact CD2-CG 4.3Å; Y348-M374 HydrophobicContact CE1-CB 3.83Å; Y348-M374 HydrophobicContact CE2-CB 3.92Å; Y348-M374 HydrophobicContact CE2-CG 4.14Å; Y348-M374 HydrophobicContact CG-CE 3.79Å; L350-M374 HydrophobicContact CD1-CG 4.24Å; A370-M374 WeakPolarHBondContact O-CG 3.34Å; A370-M374 PolarHBondContact O-N 3.35Å; M371-M374 PolarHBondContact O-N 2.91Å; M374-K376 VanDerWaalsContact C-N 3.34Å; M374-K376 PolarHBondContact O-N 3.29Å; M374-T377 WeakPolarHBondContact O-CB 3.39Å; M374-T377 PolarHBondContact O-N 3.36Å; M374-T377 VanDerWaalsContact O-N 3.12Å; M374-T378 PolarHBondContact O-N 3.49Å; M374-I382 HydrophobicContact CE-CD1 3.89Å; M374-I382 HydrophobicContact SD-CD1 4.3Å; M374-L387 HydrophobicContact SD-CD1 4.09Å; M374-V390 HydrophobicContact CG-CG1 4.27Å; M374-V390 HydrophobicContact SD-CB 4.44Å; M374-V390 HydrophobicContact SD-CG1 4.19Å; M374-V390 HydrophobicContact SD-CG2 3.93Å
375	N	98.2	Very high	97.3	Very high	91 Å²	91	48.2 Å²	48.2	49%	0.487	25%	0.252	S	S	.	.	H	α-helix	trans	-63	-39.7	178.1	-68.9	-11.2	0	0	0	112	Y348 M371 T377 T378	Y348-N375 WeakPolarHBondContact CE1-OD1 3.44Å; Y348-N375 PolarHBondContact OH-OD1 3.21Å; M371-N375 WeakPolarHBondContact O-CB 3.34Å; M371-N375 PolarHBondContact O-N 3.45Å; M371-N375 PolarHBondContact O-ND2 3.37Å; N375-T377 VanDerWaalsContact C-N 3.32Å; N375-T377 PolarHBondContact O-N 3.24Å; N375-T378 PolarHBondContact O-N 3.44Å
376	K	98.1	Very high	97.6	Very high	143 Å²	143	47.1 Å²	47.1	62%	0.622	25%	0.248	S	C	*	.	H	α-helix	trans	-65.7	-34.7	174.2	-173.4	176.9	179.8	-178.1	0	112.5	C63 K372 C373 M374	C63-K376 HydrophobicContact CB-CD 4.21Å; K372-K376 WeakPolarHBondContact O-CB 3.27Å; K372-K376 PolarHBondContact O-N 2.92Å; C373-K376 PolarHBondContact O-N 2.88Å; M374-K376 VanDerWaalsContact C-N 3.34Å; M374-K376 PolarHBondContact O-N 3.29Å
377	T	98.2	Very high	97.8	Very high	24 Å²	24	47.1 Å²	47.1	15%	0.147	25%	0.248	C	C	.	.	H	α-helix	trans	-67.6	-39.9	177	-61.4	0	0	0	0	111.3	C373 M374 N375 N381 I382 T386	C373-T377 WeakPolarHBondContact O-CB 3.3Å; C373-T377 PolarHBondContact O-N 2.98Å; C373-T377 PolarHBondContact O-OG1 3.05Å; M374-T377 WeakPolarHBondContact O-CB 3.39Å; M374-T377 PolarHBondContact O-N 3.36Å; M374-T377 VanDerWaalsContact O-N 3.12Å; N375-T377 VanDerWaalsContact C-N 3.32Å; N375-T377 PolarHBondContact O-N 3.24Å; T377-N381 HydrophobicContact CG2-CB 4.35Å; T377-N381 VanDerWaalsContact O-CB 3.3Å; T377-N381 WeakPolarHBondContact O-CB 3.36Å; T377-N381 PolarHBondContact O-ND2 3.42Å; T377-I382 HydrophobicContact CG2-CD1 4.3Å; T377-T386 HydrophobicContact CG2-CG2 4.18Å
378	T	98	Very high	97.9	Very high	58 Å²	58	46.2 Å²	46.2	36%	0.356	24%	0.244	S	C	.	.			trans	66.9	159.6	-174.6	86.6	0	0	0	0	114.3	M374 N375 A380 N381 I382	M374-T378 PolarHBondContact O-N 3.49Å; N375-T378 PolarHBondContact O-N 3.44Å; T378-A380 PolarHBondContact O-N 3.5Å; T378-A380 PolarHBondContact OG1-N 3.12Å; T378-N381 PolarHBondContact O-N 3.46Å; T378-N381 PolarHBondContact OG1-ND2 3.35Å; T378-I382 PolarHBondContact O-N 3.16Å
379	Q	98	Very high	98	Very high	28 Å²	28	43.1 Å²	43.1	13%	0.131	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-29	177.7	-159.5	-171.2	14.9	0	0	112.9	Q181 Q183 W347 N381 I382	Q181-Q379 VanDerWaalsContact O-CG 3.26Å; Q181-Q379 WeakPolarHBondContact O-CG 3.37Å; Q181-Q379 PolarHBondContact O-NE2 3.35Å; Q183-Q379 HydrophobicContact CB-CB 4.31Å; Q183-Q379 HydrophobicContact CB-CG 3.87Å; Q183-Q379 PolarHBondContact N-O 2.95Å; W347-Q379 HydrophobicContact CB-CB 4.31Å; W347-Q379 HydrophobicContact CB-CG 3.7Å; W347-Q379 HydrophobicContact CD2-CB 3.63Å; W347-Q379 HydrophobicContact CD2-CG 3.75Å; W347-Q379 HydrophobicContact CE3-CB 4Å; W347-Q379 HydrophobicContact CE3-CG 3.88Å; W347-Q379 HydrophobicContact CG-CB 3.77Å; W347-Q379 HydrophobicContact CG-CG 3.68Å; Q379-N381 VanDerWaalsContact C-N 3.31Å; Q379-N381 PolarHBondContact O-N 2.99Å; Q379-I382 WeakPolarHBondContact O-CG2 3.34Å
380	A	97.6	Very high	98.2	Very high	39 Å²	39	42 Å²	42	32%	0.322	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-27.7	-177.8	0	0	0	0	0	113	T378	T378-A380 PolarHBondContact O-N 3.5Å; T378-A380 PolarHBondContact OG1-N 3.12Å
381	N	97.8	Very high	98.2	Very high	100 Å²	100	42 Å²	42	54%	0.535	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.7	5.2	-175.2	-47.6	-61.3	0	0	0	113.7	T377 T378 Q379 S383 T386	T377-N381 HydrophobicContact CG2-CB 4.35Å; T377-N381 VanDerWaalsContact O-CB 3.3Å; T377-N381 WeakPolarHBondContact O-CB 3.36Å; T377-N381 PolarHBondContact O-ND2 3.42Å; T378-N381 PolarHBondContact O-N 3.46Å; T378-N381 PolarHBondContact OG1-ND2 3.35Å; Q379-N381 VanDerWaalsContact C-N 3.31Å; Q379-N381 PolarHBondContact O-N 2.99Å; N381-S383 PolarHBondContact O-N 3.02Å; N381-T386 WeakPolarHBondContact O-CG2 3.25Å; N381-T386 PolarHBondContact O-OG1 2.87Å
382	I	98.1	Very high	98.2	Very high	12 Å²	12	38.5 Å²	38.5	6%	0.062	20%	0.201	C	C	.	.			trans	-66.1	132.8	177.1	-166.9	60.9	0	0	0	110.6	A180 D182 W347 M374 T377 T378 Q379 T386 L387	A180-I382 HydrophobicContact CB-CD1 4.37Å; A180-I382 HydrophobicContact CB-CG1 3.8Å; D182-I382 HydrophobicContact CB-CG2 3.86Å; W347-I382 HydrophobicContact CZ3-CB 3.96Å; W347-I382 HydrophobicContact CZ3-CD1 4.48Å; W347-I382 HydrophobicContact CZ3-CG1 4.11Å; W347-I382 HydrophobicContact CZ3-CG2 4.24Å; M374-I382 HydrophobicContact CE-CD1 3.89Å; M374-I382 HydrophobicContact SD-CD1 4.3Å; T377-I382 HydrophobicContact CG2-CD1 4.3Å; T378-I382 PolarHBondContact O-N 3.16Å; Q379-I382 WeakPolarHBondContact O-CG2 3.34Å; I382-T386 WeakPolarHBondContact CA-OG1 3.03Å; I382-L387 HydrophobicContact CD1-CB 4.23Å
383	S	97.3	Very high	98.2	Very high	41 Å²	41	33 Å²	33	29%	0.287	18%	0.176	S	C	.	.	S	Bend	trans	-159.8	169.6	-178.3	65.1	0	0	0	0	108.8	I189 N381 K385 T386 L387	I189-S383 VanDerWaalsContact CD1-CA 3.41Å; N381-S383 PolarHBondContact O-N 3.02Å; S383-K385 PolarHBondContact O-N 3.48Å; S383-K385 PolarHBondContact OG-N 3.46Å; S383-T386 PolarHBondContact N-OG1 3.24Å; S383-T386 PolarHBondContact O-N 3.44Å; S383-T386 PolarHBondContact O-OG1 3.18Å; S383-T386 PolarHBondContact OG-N 3.36Å; S383-T386 VanDerWaalsContact OG-N 3.14Å; S383-T386 PolarHBondContact OG-OG1 2.88Å; S383-L387 VanDerWaalsContact O-CB 3.31Å; S383-L387 WeakPolarHBondContact O-CB 3.38Å; S383-L387 PolarHBondContact O-N 2.86Å
384	M	97.2	Very high	98.1	Very high	14 Å²	14	33.9 Å²	33.9	7%	0.069	18%	0.18	C	C	.	.	H	α-helix	trans	-54.2	-38.5	171.5	-67.6	-81	-77.7	0	0	111.6	I189 Y388 L406 Q408	I189-M384 HydrophobicContact CG2-CG 4.12Å; I189-M384 HydrophobicContact CG2-SD 3.64Å; M384-Y388 WeakPolarHBondContact O-CB 3.14Å; M384-Y388 PolarHBondContact O-N 2.93Å; M384-L406 HydrophobicContact CB-CD1 4.45Å; M384-L406 HydrophobicContact CE-CB 3.19Å; M384-L406 HydrophobicContact CE-CD1 4.24Å; M384-L406 HydrophobicContact CE-CG 4.36Å; M384-L406 HydrophobicContact SD-CB 3.62Å; M384-Q408 HydrophobicContact SD-CB 4.32Å
385	K	98.1	Very high	97.9	Very high	99 Å²	99	34 Å²	34	43%	0.43	18%	0.181	S	C	.	.	H	α-helix	trans	-63.4	-54.4	177.4	160.3	165	-174.4	-172.6	0	112.1	Y68 S383 L387 Y388 D389	Y68-K385 HydrophobicContact CD1-CB 3.87Å; Y68-K385 HydrophobicContact CD1-CG 4.42Å; Y68-K385 HydrophobicContact CG-CB 4.05Å; Y68-K385 HydrophobicContact CG-CG 4.49Å; S383-K385 PolarHBondContact O-N 3.48Å; S383-K385 PolarHBondContact OG-N 3.46Å; K385-L387 VanDerWaalsContact C-N 3.3Å; K385-L387 PolarHBondContact O-N 3.27Å; K385-Y388 WeakPolarHBondContact O-CB 3.39Å; K385-Y388 PolarHBondContact O-N 3.23Å; K385-D389 PolarHBondContact O-N 3.48Å
386	T	98.6	Very high	97.9	Very high	26 Å²	26	29.7 Å²	29.7	16%	0.16	16%	0.158	C	C	.	.	H	α-helix	trans	-71.3	-28.6	-176.4	47.9	0	0	0	0	111.8	T377 N381 I382 S383 D389 V390	T377-T386 HydrophobicContact CG2-CG2 4.18Å; N381-T386 WeakPolarHBondContact O-CG2 3.25Å; N381-T386 PolarHBondContact O-OG1 2.87Å; I382-T386 WeakPolarHBondContact CA-OG1 3.03Å; S383-T386 PolarHBondContact N-OG1 3.24Å; S383-T386 PolarHBondContact O-N 3.44Å; S383-T386 PolarHBondContact O-OG1 3.18Å; S383-T386 PolarHBondContact OG-N 3.36Å; S383-T386 VanDerWaalsContact OG-N 3.14Å; S383-T386 PolarHBondContact OG-OG1 2.88Å; T386-D389 WeakPolarHBondContact O-CB 3.45Å; T386-D389 PolarHBondContact O-N 2.97Å; T386-V390 WeakPolarHBondContact O-CG2 3.27Å; T386-V390 PolarHBondContact O-N 3.05Å; T386-V390 VanDerWaalsContact O-N 3.11Å
387	L	98.7	Very high	97.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-67.7	-38.4	170.2	-174.9	54.9	0	0	0	112.2	V178 I189 M374 I382 S383 K385 D389 V390 L391 L406	V178-L387 HydrophobicContact CB-CD1 3.92Å; V178-L387 HydrophobicContact CG1-CD1 4.06Å; V178-L387 HydrophobicContact CG2-CD1 4.2Å; I189-L387 HydrophobicContact CG2-CD2 3.72Å; M374-L387 HydrophobicContact SD-CD1 4.09Å; I382-L387 HydrophobicContact CD1-CB 4.23Å; S383-L387 VanDerWaalsContact O-CB 3.31Å; S383-L387 WeakPolarHBondContact O-CB 3.38Å; S383-L387 PolarHBondContact O-N 2.86Å; K385-L387 VanDerWaalsContact C-N 3.3Å; K385-L387 PolarHBondContact O-N 3.27Å; L387-D389 VanDerWaalsContact C-N 3.3Å; L387-D389 PolarHBondContact O-N 3.36Å; L387-V390 PolarHBondContact O-N 3.02Å; L387-L391 HydrophobicContact CD1-CD1 4.42Å; L387-L391 HydrophobicContact CD1-CG 4.46Å; L387-L391 HydrophobicContact CG-CD1 4.18Å; L387-L391 WeakPolarHBondContact O-CG 3.41Å; L387-L391 PolarHBondContact O-N 3.37Å; L387-L406 HydrophobicContact CB-CD2 4.47Å; L387-L406 HydrophobicContact CD2-CD2 4.41Å; L387-L406 HydrophobicContact CG-CD2 4.22Å
388	Y	98.8	Very high	97.7	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.1	-35.6	172.5	-168.6	-98.5	0	0	0	112.5	M67 Y68 P70 M384 K385 L391 S392 T404 L406 Y417 R419	M67-Y388 HydrophobicContact CB-CD1 3.77Å; M67-Y388 HydrophobicContact CB-CE1 3.93Å; M67-Y388 WeakPolarHBondContact O-CD1 3.24Å; M67-Y388 WeakPolarHBondContact O-CE1 3.39Å; Y68-Y388 HydrophobicContact CD2-CD1 4.39Å; Y68-Y388 HydrophobicContact CD2-CG 4.17Å; P70-Y388 HydrophobicContact CB-CE1 4.08Å; P70-Y388 WeakPolarHBondContact CB-OH 3.4Å; P70-Y388 HydrophobicContact CG-CD1 4.31Å; P70-Y388 HydrophobicContact CG-CE1 3.69Å; P70-Y388 HydrophobicContact CG-CE2 3.94Å; P70-Y388 VanDerWaalsContact CG-CZ 3.47Å; M384-Y388 WeakPolarHBondContact O-CB 3.14Å; M384-Y388 PolarHBondContact O-N 2.93Å; K385-Y388 WeakPolarHBondContact O-CB 3.39Å; K385-Y388 PolarHBondContact O-N 3.23Å; Y388-L391 CarbonylContact O-C 3.58Å; Y388-L391 PolarHBondContact O-N 3.17Å; Y388-S392 WeakPolarHBondContact CE1-OG 3.41Å; Y388-S392 WeakPolarHBondContact O-CB 3.42Å; Y388-S392 PolarHBondContact O-N 2.89Å; Y388-S392 PolarHBondContact O-OG 3.34Å; Y388-T404 HydrophobicContact CD2-CG2 3.8Å; Y388-T404 HydrophobicContact CE2-CG2 3.83Å; Y388-L406 HydrophobicContact CD2-CD1 3.87Å; Y388-L406 HydrophobicContact CD2-CD2 4.41Å; Y388-L406 HydrophobicContact CD2-CG 4.3Å; Y388-L406 HydrophobicContact CG-CD1 4.25Å; Y388-Y417 HydrophobicContact CD2-CD2 4.26Å; Y388-Y417 AromaticContact CE2-CD2 3.7Å; Y388-Y417 HydrophobicContact CE2-CD2 3.7Å; Y388-Y417 HydrophobicContact CE2-CE2 4.35Å; Y388-Y417 HydrophobicContact CE2-CG 4.32Å; Y388-R419 PolarHBondContact OH-NE 2.95Å; Y388-R419 PolarHBondContact OH-NH2 3.35Å
389	D	98.8	Very high	97.6	Very high	10 Å²	10	19.6 Å²	19.6	5%	0.053	11%	0.107	C	C	.	.	H	α-helix	trans	-60.6	-46.8	173.7	-69.7	-16.6	0	0	0	111	R64 T65 G66 M67 K385 T386 L387 S392 T393	R64-D389 WeakPolarHBondContact O-CB 3.47Å; T65-D389 WeakPolarHBondContact CA-OD2 3.43Å; G66-D389 PolarHBondContact N-OD1 3.1Å; G66-D389 PolarHBondContact N-OD2 3.26Å; M67-D389 WeakPolarHBondContact CA-OD1 3.49Å; M67-D389 WeakPolarHBondContact CB-OD1 3.35Å; M67-D389 PolarHBondContact N-OD1 3.23Å; K385-D389 PolarHBondContact O-N 3.48Å; T386-D389 WeakPolarHBondContact O-CB 3.45Å; T386-D389 PolarHBondContact O-N 2.97Å; L387-D389 VanDerWaalsContact C-N 3.3Å; L387-D389 PolarHBondContact O-N 3.36Å; D389-S392 PolarHBondContact O-N 3.01Å; D389-S392 VanDerWaalsContact O-N 3.15Å; D389-T393 PolarHBondContact O-N 3.43Å; D389-T393 PolarHBondContact O-OG1 3.3Å
390	V	98.7	Very high	97.5	Very high	3 Å²	3	18.2 Å²	18.2	2%	0.018	10%	0.101	C	C	.	.	H	α-helix	trans	-58.5	-50.6	174.3	173.9	0	0	0	0	111	A370 C373 M374 T386 L387 S392 T393	A370-V390 HydrophobicContact CB-CG1 4.42Å; C373-V390 HydrophobicContact CB-CB 4.44Å; C373-V390 HydrophobicContact CB-CG1 4.19Å; C373-V390 HydrophobicContact CB-CG2 3.88Å; M374-V390 HydrophobicContact CG-CG1 4.27Å; M374-V390 HydrophobicContact SD-CB 4.44Å; M374-V390 HydrophobicContact SD-CG1 4.19Å; M374-V390 HydrophobicContact SD-CG2 3.93Å; T386-V390 WeakPolarHBondContact O-CG2 3.27Å; T386-V390 PolarHBondContact O-N 3.05Å; T386-V390 VanDerWaalsContact O-N 3.11Å; L387-V390 PolarHBondContact O-N 3.02Å; V390-S392 PolarHBondContact O-N 3.49Å; V390-S392 VanDerWaalsContact O-N 3.14Å; V390-T393 WeakPolarHBondContact O-CB 3.19Å; V390-T393 PolarHBondContact O-N 3.39Å; V390-T393 VanDerWaalsContact O-N 3.13Å
391	L	98.8	Very high	97.4	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.086	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-7.1	179.5	-66.7	172.4	0	0	0	113.7	T176 N193 L387 Y388 V396 T404 L406	T176-L391 HydrophobicContact CG2-CD2 4.31Å; N193-L391 PolarHBondContact ND2-O 3.39Å; L387-L391 HydrophobicContact CD1-CD1 4.42Å; L387-L391 HydrophobicContact CD1-CG 4.46Å; L387-L391 HydrophobicContact CG-CD1 4.18Å; L387-L391 WeakPolarHBondContact O-CG 3.41Å; L387-L391 PolarHBondContact O-N 3.37Å; Y388-L391 CarbonylContact O-C 3.58Å; Y388-L391 PolarHBondContact O-N 3.17Å; L391-V396 HydrophobicContact CD2-CG1 3.96Å; L391-T404 HydrophobicContact CB-CG2 4.16Å; L391-T404 HydrophobicContact CD1-CG2 3.81Å; L391-L406 HydrophobicContact CD1-CD2 4Å
392	S	98.6	Very high	97.4	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.06	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-1.5	175.7	-63.1	0	0	0	0	113.4	R64 Y388 D389 V390 R419	R64-S392 VanDerWaalsContact CD-O 3.26Å; R64-S392 WeakPolarHBondContact CD-O 3.45Å; Y388-S392 WeakPolarHBondContact CE1-OG 3.41Å; Y388-S392 WeakPolarHBondContact O-CB 3.42Å; Y388-S392 PolarHBondContact O-N 2.89Å; Y388-S392 PolarHBondContact O-OG 3.34Å; D389-S392 PolarHBondContact O-N 3.01Å; D389-S392 VanDerWaalsContact O-N 3.15Å; V390-S392 PolarHBondContact O-N 3.49Å; V390-S392 VanDerWaalsContact O-N 3.14Å; S392-R419 PolarHBondContact OG-NH1 3.33Å; S392-R419 PolarHBondContact OG-NH2 2.99Å
393	T	98.1	Very high	97.4	Very high	1 Å²	1	11.1 Å²	11.1	1%	0.006	6%	0.057	C	C	.	.	S	Bend	trans	-89.2	129.4	-179.1	-58.9	0	0	0	0	110.1	E61 R64 D389 V390 V396 L397	E61-T393 HydrophobicContact CG-CG2 3.92Å; E61-T393 WeakPolarHBondContact OE1-CA 3.27Å; R64-T393 PolarHBondContact N-OG1 3.27Å; D389-T393 PolarHBondContact O-N 3.43Å; D389-T393 PolarHBondContact O-OG1 3.3Å; V390-T393 WeakPolarHBondContact O-CB 3.19Å; V390-T393 PolarHBondContact O-N 3.39Å; V390-T393 VanDerWaalsContact O-N 3.13Å; T393-V396 WeakPolarHBondContact O-CA 3.37Å; T393-V396 WeakPolarHBondContact O-CB 3.24Å; T393-V396 PolarHBondContact O-N 3.01Å; T393-L397 PolarHBondContact O-N 2.86Å
394	K	96.6	Very high	97.5	Very high	23 Å²	23	9.1 Å²	9.1	10%	0.1	4%	0.043	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.8	136.4	174.3	-61.3	166.4	-175.2	174.1	0	111.3	Y59 E61 L397 C421 P422 P424	Y59-K394 VanDerWaalsContact O-CB 3.26Å; Y59-K394 WeakPolarHBondContact O-CB 3.19Å; E61-K394 HydrophobicContact CG-CB 4Å; E61-K394 PolarHBondContact N-O 2.97Å; E61-K394 WeakPolarHBondContact OE1-CG 3.2Å; E61-K394 PolarHBondContact OE1-N 3.27Å; K394-L397 WeakPolarHBondContact CG-O 3.37Å; K394-C421 VanDerWaalsContact CE-SG 3.55Å; K394-P422 PolarHBondContact NZ-O 2.85Å; K394-P424 PolarHBondContact NZ-O 3.45Å
395	P	94.7	Very high	97.6	Very high	2 Å²	2	8.5 Å²	8.5	1%	0.013	4%	0.04	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95	6.1	10.6	35.7	-31.6	0	0	0	115	T60 R366 P369 L397 N398 M426	T60-P395 HydrophobicContact CG2-CG 4.17Å; R366-P395 WeakPolarHBondContact CD-O 3.41Å; R366-P395 HydrophobicContact CG-CB 4.24Å; R366-P395 HydrophobicContact CG-CG 4.16Å; R366-P395 WeakPolarHBondContact CG-O 3.26Å; P369-P395 HydrophobicContact CG-CG 4.08Å; P395-L397 CarbonylContact C-O 3.56Å; P395-L397 CarbonylContact O-C 3.46Å; P395-L397 PolarHBondContact O-N 2.7Å; P395-N398 PolarHBondContact O-ND2 2.7Å; P395-M426 HydrophobicContact CB-CE 3.29Å; P395-M426 HydrophobicContact CB-SD 4.21Å; P395-M426 HydrophobicContact CG-CE 3.95Å
396	V	96.9	Very high	97.6	Very high	0 Å²	0	3.8 Å²	3.8	0%	0	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-40.9	175.8	-170.6	0	0	0	0	110.5	T176 N193 A370 L391 T393	T176-V396 HydrophobicContact CG2-CG1 3.78Å; N193-V396 PolarHBondContact ND2-O 2.89Å; A370-V396 HydrophobicContact CB-CG2 3.63Å; L391-V396 HydrophobicContact CD2-CG1 3.96Å; T393-V396 WeakPolarHBondContact O-CA 3.37Å; T393-V396 WeakPolarHBondContact O-CB 3.24Å; T393-V396 PolarHBondContact O-N 3.01Å
397	L	97.8	Very high	97.6	Very high	0 Å²	0	2.5 Å²	2.5	0%	0	1%	0.012	C	C	.	.	S	Bend	trans	-87.6	124.1	159	178.9	67.9	0	0	0	109.2	T74 T393 K394 P395 T401 R419 C421	T74-L397 HydrophobicContact CG2-CD2 3.55Å; T393-L397 PolarHBondContact O-N 2.86Å; K394-L397 WeakPolarHBondContact CG-O 3.37Å; P395-L397 CarbonylContact C-O 3.56Å; P395-L397 CarbonylContact O-C 3.46Å; P395-L397 PolarHBondContact O-N 2.7Å; L397-T401 HydrophobicContact CD1-CG2 3.87Å; L397-R419 HydrophobicContact CD1-CB 4.06Å; L397-R419 HydrophobicContact CD1-CG 4.45Å; L397-C421 HydrophobicContact CG-CB 4.24Å
398	N	95.8	Very high	97.6	Very high	1 Å²	1	3.7 Å²	3.7	1%	0.005	2%	0.017	C	C	.	.			trans	-139.7	-176.8	-179.5	59.8	59.4	0	0	0	111.2	D195 R366 P395 L400 T401 C421 C425 W428	D195-N398 PolarHBondContact OD2-ND2 3Å; R366-N398 WeakPolarHBondContact CD-ND2 3.42Å; P395-N398 PolarHBondContact O-ND2 2.7Å; N398-L400 VanDerWaalsContact C-N 3.26Å; N398-L400 PolarHBondContact O-N 2.81Å; N398-L400 WeakPolarHBondContact OD1-CA 3.36Å; N398-L400 VanDerWaalsContact OD1-CB 3.24Å; N398-L400 WeakPolarHBondContact OD1-CB 3.39Å; N398-L400 PolarHBondContact OD1-N 3.35Å; N398-T401 PolarHBondContact N-OG1 2.64Å; N398-T401 WeakPolarHBondContact O-CB 3.47Å; N398-T401 PolarHBondContact O-N 3.46Å; N398-T401 PolarHBondContact O-OG1 3.36Å; N398-T401 PolarHBondContact OD1-N 2.91Å; N398-T401 PolarHBondContact OD1-OG1 2.75Å; N398-C421 VanDerWaalsContact O-CB 3.3Å; N398-C421 WeakPolarHBondContact O-CB 3.35Å; N398-C425 VanDerWaalsContact CA-SG 3.54Å; N398-W428 WeakPolarHBondContact CB-O 3.49Å
399	K	95.4	Very high	97.2	Very high	12 Å²	12	3.7 Å²	3.7	5%	0.052	2%	0.017	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-21.1	-179.3	-73.4	-67.5	-167.8	179.7	0	114.5	K207 C421 N423 C425 M426	K207-K399 WeakPolarHBondContact O-CD 3.14Å; K207-K399 WeakPolarHBondContact O-CE 3.39Å; K207-K399 PolarHBondContact O-NZ 3.45Å; K399-C421 HydrophobicContact CD-CB 4.44Å; K399-C421 VanDerWaalsContact CE-O 3.27Å; K399-C421 WeakPolarHBondContact CE-O 3.09Å; K399-C421 PolarHBondContact NZ-O 3.2Å; K399-N423 WeakPolarHBondContact CE-OD1 3.43Å; K399-N423 PolarHBondContact NZ-OD1 3.25Å; K399-C425 HydrophobicContact CD-CB 4.34Å; K399-C425 HydrophobicContact CG-CB 4.28Å; K399-M426 WeakPolarHBondContact CB-O 3.42Å; K399-M426 VanDerWaalsContact CG-O 3.27Å; K399-M426 WeakPolarHBondContact CG-O 3.35Å; K399-M426 PolarHBondContact N-O 2.69Å
400	L	94.4	Very high	97.1	Very high	0 Å²	0	4.7 Å²	4.7	0%	0	3%	0.026	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-19.4	177.4	-64.1	167.9	0	0	0	112	D195 F196 L198 W209 N398 T402 P427 W428	D195-L400 WeakPolarHBondContact CA-O 3.26Å; D195-L400 HydrophobicContact CB-CB 3.61Å; D195-L400 HydrophobicContact CB-CD1 4.42Å; F196-L400 PolarHBondContact N-O 2.64Å; F196-L400 VanDerWaalsContact N-O 3.13Å; L198-L400 HydrophobicContact CB-CD1 3.86Å; L198-L400 HydrophobicContact CB-CD2 4.03Å; L198-L400 HydrophobicContact CD1-CD1 4.06Å; L198-L400 HydrophobicContact CG-CD1 4.37Å; W209-L400 HydrophobicContact CB-CD2 4.37Å; W209-L400 HydrophobicContact CD2-CD2 4.3Å; W209-L400 HydrophobicContact CG-CD2 3.74Å; N398-L400 VanDerWaalsContact C-N 3.26Å; N398-L400 PolarHBondContact O-N 2.81Å; N398-L400 WeakPolarHBondContact OD1-CA 3.36Å; N398-L400 VanDerWaalsContact OD1-CB 3.24Å; N398-L400 WeakPolarHBondContact OD1-CB 3.39Å; N398-L400 PolarHBondContact OD1-N 3.35Å; L400-T402 PolarHBondContact O-N 2.99Å; L400-P427 WeakPolarHBondContact CG-O 3.38Å; L400-W428 HydrophobicContact CD1-CB 4.49Å
401	T	97.3	Very high	96.9	Very high	1 Å²	1	9.8 Å²	9.8	1%	0.006	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.4	110.2	-176.1	-48.5	0	0	0	0	111.1	N193 L194 D195 K216 L397 N398 R419	N193-T401 HydrophobicContact CB-CG2 3.98Å; L194-T401 WeakPolarHBondContact O-CA 3.36Å; D195-T401 WeakPolarHBondContact OD1-CA 3.18Å; D195-T401 VanDerWaalsContact OD1-CB 3.26Å; D195-T401 WeakPolarHBondContact OD1-CB 3.39Å; D195-T401 PolarHBondContact OD1-N 2.92Å; D195-T401 PolarHBondContact OD1-OG1 2.87Å; K216-T401 WeakPolarHBondContact CE-O 3.25Å; L397-T401 HydrophobicContact CD1-CG2 3.87Å; N398-T401 PolarHBondContact N-OG1 2.64Å; N398-T401 WeakPolarHBondContact O-CB 3.47Å; N398-T401 PolarHBondContact O-N 3.46Å; N398-T401 PolarHBondContact O-OG1 3.36Å; N398-T401 PolarHBondContact OD1-N 2.91Å; N398-T401 PolarHBondContact OD1-OG1 2.75Å; T401-R419 HydrophobicContact CG2-CB 3.8Å; T401-R419 HydrophobicContact CG2-CG 3.8Å
402	T	96.9	Very high	96.8	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.051	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	-49.3	177.3	57.7	0	0	0	0	110.7	L194 F196 L215 F237 L400 R419	L194-T402 WeakPolarHBondContact CD2-OG1 3.46Å; L194-T402 PolarHBondContact O-N 2.88Å; L194-T402 PolarHBondContact O-OG1 3.47Å; F196-T402 HydrophobicContact CB-CG2 4.24Å; L215-T402 HydrophobicContact CB-CG2 4.12Å; F237-T402 HydrophobicContact CZ-CG2 4.32Å; L400-T402 PolarHBondContact O-N 2.99Å; T402-R419 PolarHBondContact O-N 3.03Å
403	Y	98.4	Very high	96.7	Very high	0 Å²	0	13.4 Å²	13.4	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	158	-179.6	69.6	-103.7	0	0	0	112.5	L194 V219 T235 F237 T245 T405 Y417	L194-Y403 HydrophobicContact CB-CD1 3.94Å; L194-Y403 HydrophobicContact CB-CD2 4.14Å; L194-Y403 HydrophobicContact CB-CE1 3.56Å; L194-Y403 HydrophobicContact CB-CE2 3.74Å; L194-Y403 HydrophobicContact CB-CG 4.23Å; L194-Y403 VanDerWaalsContact CB-CZ 3.45Å; L194-Y403 HydrophobicContact CD1-CE1 3.85Å; L194-Y403 WeakPolarHBondContact CD1-OH 3.34Å; L194-Y403 HydrophobicContact CD2-CD1 4.35Å; L194-Y403 HydrophobicContact CD2-CE1 3.8Å; L194-Y403 HydrophobicContact CG-CE1 3.92Å; L194-Y403 PolarHBondContact N-O 3.39Å; V219-Y403 HydrophobicContact CG1-CD1 3.92Å; V219-Y403 HydrophobicContact CG1-CG 4.08Å; V219-Y403 HydrophobicContact CG2-CD1 3.95Å; T235-Y403 HydrophobicContact CG2-CD1 4.21Å; T235-Y403 HydrophobicContact CG2-CD2 3.66Å; T235-Y403 HydrophobicContact CG2-CE1 4.17Å; T235-Y403 HydrophobicContact CG2-CE2 3.65Å; T235-Y403 HydrophobicContact CG2-CG 3.95Å; T235-Y403 PolarHBondContact O-OH 3.13Å; F237-Y403 HydrophobicContact CE1-CD1 4.35Å; F237-Y403 HydrophobicContact CE1-CE1 4.43Å; F237-Y403 HydrophobicContact CE2-CE1 4.1Å; F237-Y403 HydrophobicContact CZ-CD1 4.08Å; F237-Y403 AromaticContact CZ-CE1 3.86Å; F237-Y403 HydrophobicContact CZ-CE1 3.86Å; T245-Y403 PolarHBondContact OG1-OH 2.75Å; T245-Y403 VanDerWaalsContact OG1-OH 3.05Å; Y403-T405 WeakPolarHBondContact CD2-OG1 3.48Å; Y403-T405 VanDerWaalsContact CE2-OG1 3.29Å; Y403-T405 WeakPolarHBondContact CE2-OG1 3.42Å; Y403-Y417 CarbonylContact C-O 3.58Å; Y403-Y417 VanDerWaalsContact CA-O 3.25Å; Y403-Y417 WeakPolarHBondContact CA-O 3.18Å
404	T	98.9	Very high	96.7	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	134.2	165.5	-59.6	0	0	0	0	108.7	R192 N193 Y388 L391 L406 S416 Y417 R419	R192-T404 CarbonylContact O-C 3.37Å; R192-T404 VanDerWaalsContact O-CA 3.25Å; R192-T404 WeakPolarHBondContact O-CA 3.46Å; N193-T404 WeakPolarHBondContact OD1-CB 3.35Å; N193-T404 WeakPolarHBondContact OD1-CG2 3.45Å; N193-T404 PolarHBondContact OD1-OG1 2.63Å; Y388-T404 HydrophobicContact CD2-CG2 3.8Å; Y388-T404 HydrophobicContact CE2-CG2 3.83Å; L391-T404 HydrophobicContact CB-CG2 4.16Å; L391-T404 HydrophobicContact CD1-CG2 3.81Å; T404-L406 HydrophobicContact CG2-CD2 4.4Å; T404-S416 CarbonylContact O-C 3.46Å; T404-S416 WeakPolarHBondContact O-CA 3.49Å; T404-S416 WeakPolarHBondContact O-CB 3.5Å; T404-Y417 PolarHBondContact N-O 2.97Å; T404-Y417 PolarHBondContact O-N 3.34Å; T404-R419 VanDerWaalsContact OG1-CD 3.27Å; T404-R419 WeakPolarHBondContact OG1-CD 3.39Å; T404-R419 WeakPolarHBondContact OG1-CG 3.31Å; T404-R419 PolarHBondContact OG1-NH1 3.49Å
405	T	98.9	Very high	96.8	Very high	0 Å²	0	14.2 Å²	14.2	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	139.4	172.2	-58.9	0	0	0	0	109.4	G191 R192 T235 T245 Y403 M407 L414 E415	G191-T405 CarbonylContact C-O 3.58Å; G191-T405 VanDerWaalsContact CA-O 3.26Å; G191-T405 WeakPolarHBondContact CA-O 3.37Å; R192-T405 PolarHBondContact N-O 2.84Å; R192-T405 PolarHBondContact O-N 2.89Å; T235-T405 VanDerWaalsContact CB-OG1 3.25Å; T235-T405 WeakPolarHBondContact CB-OG1 3.3Å; T235-T405 WeakPolarHBondContact OG1-CG2 3.06Å; T235-T405 PolarHBondContact OG1-OG1 3.12Å; T245-T405 HydrophobicContact CG2-CG2 3.68Å; Y403-T405 WeakPolarHBondContact CD2-OG1 3.48Å; Y403-T405 VanDerWaalsContact CE2-OG1 3.29Å; Y403-T405 WeakPolarHBondContact CE2-OG1 3.42Å; T405-M407 HydrophobicContact CG2-CG 3.81Å; T405-M407 HydrophobicContact CG2-SD 4.25Å; T405-L414 HydrophobicContact CG2-CD1 4.11Å; T405-L414 HydrophobicContact CG2-CD2 4.28Å; T405-L414 HydrophobicContact CG2-CG 3.86Å; T405-E415 CarbonylContact C-O 3.55Å; T405-E415 WeakPolarHBondContact CA-O 3.38Å
406	L	98.9	Very high	97	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.6	172.8	-54.2	169.9	0	0	0	107.8	Y68 H190 M384 L387 Y388 L391 T404 L414 E415 Y417	Y68-L406 HydrophobicContact CD2-CD1 4.28Å; Y68-L406 HydrophobicContact CE2-CD1 4.09Å; H190-L406 CarbonylContact O-C 3.55Å; M384-L406 HydrophobicContact CB-CD1 4.45Å; M384-L406 HydrophobicContact CE-CB 3.19Å; M384-L406 HydrophobicContact CE-CD1 4.24Å; M384-L406 HydrophobicContact CE-CG 4.36Å; M384-L406 HydrophobicContact SD-CB 3.62Å; L387-L406 HydrophobicContact CB-CD2 4.47Å; L387-L406 HydrophobicContact CD2-CD2 4.41Å; L387-L406 HydrophobicContact CG-CD2 4.22Å; Y388-L406 HydrophobicContact CD2-CD1 3.87Å; Y388-L406 HydrophobicContact CD2-CD2 4.41Å; Y388-L406 HydrophobicContact CD2-CG 4.3Å; Y388-L406 HydrophobicContact CG-CD1 4.25Å; L391-L406 HydrophobicContact CD1-CD2 4Å; T404-L406 HydrophobicContact CG2-CD2 4.4Å; L406-L414 WeakPolarHBondContact O-CA 3.37Å; L406-E415 PolarHBondContact N-O 2.68Å; L406-E415 PolarHBondContact O-N 3.42Å; L406-Y417 HydrophobicContact CD1-CE2 4.24Å
407	M	98.8	Very high	97.1	Very high	0 Å²	0	16 Å²	16	0%	0	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	142.9	-176.4	-54.4	176.7	-74.6	0	0	110.2	H190 T245 G246 I247 T253 T255 T405 K413 L414	H190-M407 HydrophobicContact CB-CB 4.42Å; H190-M407 HydrophobicContact CB-CE 4.07Å; H190-M407 PolarHBondContact N-O 3.01Å; H190-M407 PolarHBondContact O-N 2.93Å; T245-M407 HydrophobicContact CG2-CE 4.19Å; T245-M407 HydrophobicContact CG2-SD 4.23Å; G246-M407 VanDerWaalsContact C-SD 3.53Å; G246-M407 VanDerWaalsContact O-SD 3.34Å; I247-M407 HydrophobicContact CB-SD 4.08Å; I247-M407 HydrophobicContact CD1-CB 4.44Å; T253-M407 HydrophobicContact CG2-CB 3.49Å; T253-M407 VanDerWaalsContact CG2-CB 3.49Å; T253-M407 HydrophobicContact CG2-CE 4.1Å; T253-M407 HydrophobicContact CG2-CG 4.26Å; T253-M407 HydrophobicContact CG2-SD 3.88Å; T255-M407 HydrophobicContact CG2-CE 3.78Å; T405-M407 HydrophobicContact CG2-CG 3.81Å; T405-M407 HydrophobicContact CG2-SD 4.25Å; M407-K413 VanDerWaalsContact CA-O 3.27Å; M407-K413 WeakPolarHBondContact CA-O 3.3Å; M407-L414 HydrophobicContact CG-CB 4.4Å; M407-L414 HydrophobicContact CG-CD1 4.17Å; M407-L414 HydrophobicContact CG-CG 4.14Å; M407-L414 HydrophobicContact SD-CD1 4.13Å
408	Q	97.3	Very high	97.2	Very high	24 Å²	24	17.1 Å²	17.1	11%	0.112	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	116.6	172.9	-172.7	177.8	-33.9	0	0	108.7	I247 M384 S410 E411 G412 K413	I247-Q408 WeakPolarHBondContact CD1-O 3.29Å; M384-Q408 HydrophobicContact SD-CB 4.32Å; Q408-S410 PolarHBondContact NE2-OG 2.8Å; Q408-E411 PolarHBondContact NE2-OE1 2.93Å; Q408-G412 PolarHBondContact O-N 3.39Å; Q408-G412 VanDerWaalsContact O-N 3.17Å; Q408-K413 HydrophobicContact CB-CB 4.49Å; Q408-K413 PolarHBondContact N-O 3.18Å; Q408-K413 PolarHBondContact O-N 3.29Å
409	V	92.3	Very high	97.3	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-47.2	-169	-176.3	0	0	0	0	111.1	H250 T253 G318 N319 E411 G412	H250-V409 VanDerWaalsContact CA-O 3.29Å; H250-V409 WeakPolarHBondContact CA-O 3.46Å; H250-V409 PolarHBondContact N-O 3.11Å; H250-V409 VanDerWaalsContact N-O 3.07Å; T253-V409 HydrophobicContact CG2-CG2 3.5Å; G318-V409 WeakPolarHBondContact O-CB 3.47Å; G318-V409 VanDerWaalsContact O-CG2 3.3Å; G318-V409 WeakPolarHBondContact O-CG2 3.34Å; N319-V409 HydrophobicContact CB-CG1 3.63Å; V409-E411 VanDerWaalsContact C-N 3.26Å; V409-E411 PolarHBondContact O-N 2.81Å; V409-G412 PolarHBondContact O-N 2.82Å
410	S	94.6	Very high	97.4	Very high	32 Å²	32	18.8 Å²	18.8	22%	0.224	9%	0.093	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.4	-31.5	-175.2	55.8	0	0	0	0	113.7	N187 H250 N319 Q408	N187-S410 PolarHBondContact OD1-OG 3.27Å; N187-S410 VanDerWaalsContact OD1-OG 3.1Å; H250-S410 PolarHBondContact CE1-O 3.31Å; H250-S410 VanDerWaalsContact CE1-O 3.31Å; H250-S410 PolarHBondContact ND1-O 2.96Å; N319-S410 WeakPolarHBondContact OD1-CA 3.44Å; N319-S410 WeakPolarHBondContact OD1-CB 3.46Å; N319-S410 PolarHBondContact OD1-N 3.4Å; Q408-S410 PolarHBondContact NE2-OG 2.8Å
411	E	95.8	Very high	97.5	Very high	110 Å²	110	18.8 Å²	18.8	51%	0.514	9%	0.093	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-9.8	177.2	-68.9	178.9	-159.4	0	0	113.5	Q408 V409 K413	Q408-E411 PolarHBondContact NE2-OE1 2.93Å; V409-E411 VanDerWaalsContact C-N 3.26Å; V409-E411 PolarHBondContact O-N 2.81Å; E411-K413 HydrophobicContact CB-CB 3.89Å; E411-K413 PolarHBondContact O-N 2.92Å
412	G	95.9	Very high	97.3	Very high	3 Å²	3	20.8 Å²	20.8	3%	0.031	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	26	-171.1	0	0	0	0	0	113.1	K233 Q408 V409	K233-G412 PolarHBondContact NZ-O 2.86Å; Q408-G412 PolarHBondContact O-N 3.39Å; Q408-G412 VanDerWaalsContact O-N 3.17Å; V409-G412 PolarHBondContact O-N 2.82Å
413	K	97.4	Very high	97.1	Very high	72 Å²	72	24.9 Å²	24.9	31%	0.313	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.1	-171.5	-169.8	176.5	-178.4	-165.2	0	110.4	M407 Q408 E411 E415	M407-K413 VanDerWaalsContact CA-O 3.27Å; M407-K413 WeakPolarHBondContact CA-O 3.3Å; Q408-K413 HydrophobicContact CB-CB 4.49Å; Q408-K413 PolarHBondContact N-O 3.18Å; Q408-K413 PolarHBondContact O-N 3.29Å; E411-K413 HydrophobicContact CB-CB 3.89Å; E411-K413 PolarHBondContact O-N 2.92Å; K413-E415 WeakPolarHBondContact CE-OE1 3.14Å; K413-E415 IonicContact NZ-OE1 3.94Å; K413-E415 PolarHBondContact NZ-OE1 3.09Å
414	L	98.6	Very high	96.8	Very high	11 Å²	11	28.7 Å²	28.7	6%	0.058	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	127.1	172.1	179.7	153.6	0	0	0	108	W81 K233 I247 T405 L406 M407	W81-L414 HydrophobicContact CH2-CB 4.41Å; W81-L414 HydrophobicContact CH2-CD2 3.87Å; W81-L414 HydrophobicContact CZ2-CD2 3.81Å; K233-L414 HydrophobicContact CB-CD1 4.34Å; I247-L414 HydrophobicContact CG2-CB 3.9Å; I247-L414 HydrophobicContact CG2-CD1 3.87Å; T405-L414 HydrophobicContact CG2-CD1 4.11Å; T405-L414 HydrophobicContact CG2-CD2 4.28Å; T405-L414 HydrophobicContact CG2-CG 3.86Å; L406-L414 WeakPolarHBondContact O-CA 3.37Å; M407-L414 HydrophobicContact CG-CB 4.4Å; M407-L414 HydrophobicContact CG-CD1 4.17Å; M407-L414 HydrophobicContact CG-CG 4.14Å; M407-L414 HydrophobicContact SD-CD1 4.13Å
415	E	98.5	Very high	96.4	Very high	31 Å²	31	29 Å²	29	15%	0.145	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.6	170.9	-66.3	-179.5	-175.4	0	0	108.8	Y68 T405 L406 K413 Y417	Y68-E415 VanDerWaalsContact CE2-OE2 3.27Å; Y68-E415 WeakPolarHBondContact CE2-OE2 3.33Å; Y68-E415 VanDerWaalsContact OH-CD 3.25Å; Y68-E415 PolarHBondContact OH-OE1 2.97Å; Y68-E415 VanDerWaalsContact OH-OE1 3.05Å; Y68-E415 PolarHBondContact OH-OE2 3.29Å; T405-E415 CarbonylContact C-O 3.55Å; T405-E415 WeakPolarHBondContact CA-O 3.38Å; L406-E415 PolarHBondContact N-O 2.68Å; L406-E415 PolarHBondContact O-N 3.42Å; K413-E415 WeakPolarHBondContact CE-OE1 3.14Å; K413-E415 IonicContact NZ-OE1 3.94Å; K413-E415 PolarHBondContact NZ-OE1 3.09Å; E415-Y417 HydrophobicContact CB-CE2 3.91Å; E415-Y417 PolarHBondContact OE2-OH 3.24Å
416	S	98.8	Very high	95.9	Very high	7 Å²	7	29.9 Å²	29.9	5%	0.049	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.6	150.9	175.4	65	0	0	0	0	112.1	V79 N221 T235 T404	V79-S416 VanDerWaalsContact CB-OG 3.24Å; V79-S416 WeakPolarHBondContact CB-OG 3Å; V79-S416 WeakPolarHBondContact CG2-O 3.46Å; V79-S416 WeakPolarHBondContact CG2-OG 3.42Å; N221-S416 PolarHBondContact ND2-OG 2.55Å; N221-S416 PolarHBondContact OD1-OG 3.29Å; T235-S416 WeakPolarHBondContact OG1-CB 3.35Å; T404-S416 CarbonylContact O-C 3.46Å; T404-S416 WeakPolarHBondContact O-CA 3.49Å; T404-S416 WeakPolarHBondContact O-CB 3.5Å
417	Y	98.8	Very high	95.3	Very high	32 Å²	32	30 Å²	30	13%	0.125	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	129.1	-169.7	-54.1	-75.9	0	0	0	109.4	Y68 P70 F75 Y388 Y403 T404 L406 E415 R419	Y68-Y417 HydrophobicContact CE2-CE2 4.31Å; P70-Y417 HydrophobicContact CB-CD1 4.01Å; P70-Y417 HydrophobicContact CB-CE1 4.23Å; P70-Y417 HydrophobicContact CB-CG 4.23Å; P70-Y417 HydrophobicContact CG-CD1 3.64Å; P70-Y417 HydrophobicContact CG-CD2 3.78Å; P70-Y417 HydrophobicContact CG-CE1 3.56Å; P70-Y417 HydrophobicContact CG-CE2 3.73Å; P70-Y417 HydrophobicContact CG-CG 3.73Å; F75-Y417 HydrophobicContact CD2-CD1 4.31Å; F75-Y417 AromaticContact CE2-CD1 3.69Å; F75-Y417 HydrophobicContact CE2-CD1 3.69Å; F75-Y417 HydrophobicContact CE2-CG 4.33Å; F75-Y417 HydrophobicContact CZ-CD1 4.49Å; Y388-Y417 HydrophobicContact CD2-CD2 4.26Å; Y388-Y417 AromaticContact CE2-CD2 3.7Å; Y388-Y417 HydrophobicContact CE2-CD2 3.7Å; Y388-Y417 HydrophobicContact CE2-CE2 4.35Å; Y388-Y417 HydrophobicContact CE2-CG 4.32Å; Y403-Y417 CarbonylContact C-O 3.58Å; Y403-Y417 VanDerWaalsContact CA-O 3.25Å; Y403-Y417 WeakPolarHBondContact CA-O 3.18Å; T404-Y417 PolarHBondContact N-O 2.97Å; T404-Y417 PolarHBondContact O-N 3.34Å; L406-Y417 HydrophobicContact CD1-CE2 4.24Å; E415-Y417 HydrophobicContact CB-CE2 3.91Å; E415-Y417 PolarHBondContact OE2-OH 3.24Å; Y417-R419 WeakPolarHBondContact O-CD 3.35Å; Y417-R419 PolarHBondContact O-N 2.79Å
418	I	98.8	Very high	94.4	Very high	23 Å²	23	32.6 Å²	32.6	12%	0.118	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	130.2	173.1	-52.4	175.9	0	0	0	107.4	K76 G77 V79 K216 V219	K76-I418 HydrophobicContact CB-CB 4.13Å; K76-I418 HydrophobicContact CB-CG2 3.85Å; K76-I418 WeakPolarHBondContact CB-O 3.49Å; K76-I418 HydrophobicContact CD-CG2 3.94Å; K76-I418 HydrophobicContact CG-CG2 4.19Å; K76-I418 PolarHBondContact N-O 3.11Å; G77-I418 PolarHBondContact O-N 2.81Å; V79-I418 HydrophobicContact CG2-CG1 3.73Å; K216-I418 HydrophobicContact CB-CG2 3.74Å; K216-I418 HydrophobicContact CD-CG2 4.35Å; K216-I418 HydrophobicContact CG-CG2 3.87Å; V219-I418 HydrophobicContact CB-CG1 4.25Å; V219-I418 HydrophobicContact CG1-CG1 4.43Å
419	R	98.3	Very high	94.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	157.6	-172.9	-55.9	-51.4	-60.3	-92	7.1	112.2	T74 K216 Y388 S392 L397 T401 T402 T404 Y417	T74-R419 PolarHBondContact O-NE 3.03Å; K216-R419 WeakPolarHBondContact CE-O 3.23Å; K216-R419 PolarHBondContact NZ-O 3.11Å; K216-R419 VanDerWaalsContact NZ-O 3.14Å; Y388-R419 PolarHBondContact OH-NE 2.95Å; Y388-R419 PolarHBondContact OH-NH2 3.35Å; S392-R419 PolarHBondContact OG-NH1 3.33Å; S392-R419 PolarHBondContact OG-NH2 2.99Å; L397-R419 HydrophobicContact CD1-CB 4.06Å; L397-R419 HydrophobicContact CD1-CG 4.45Å; T401-R419 HydrophobicContact CG2-CB 3.8Å; T401-R419 HydrophobicContact CG2-CG 3.8Å; T402-R419 PolarHBondContact O-N 3.03Å; T404-R419 VanDerWaalsContact OG1-CD 3.27Å; T404-R419 WeakPolarHBondContact OG1-CD 3.39Å; T404-R419 WeakPolarHBondContact OG1-CG 3.31Å; T404-R419 PolarHBondContact OG1-NH1 3.49Å; Y417-R419 WeakPolarHBondContact O-CD 3.35Å; Y417-R419 PolarHBondContact O-N 2.79Å
420	D	97.3	Very high	94.3	Very high	48 Å²	48	34.8 Å²	34.8	26%	0.257	18%	0.182	S	C	.	.			trans	-140.1	158.8	163.2	-160.3	10	0	0	0	109.6	T74 K76 K216	T74-D420 VanDerWaalsContact CA-O 3.24Å; T74-D420 WeakPolarHBondContact CA-O 3.28Å; T74-D420 PolarHBondContact O-N 2.98Å; K76-D420 HydrophobicContact CB-CB 4.38Å; K216-D420 IonicContact NZ-OD1 2.75Å; K216-D420 PolarHBondContact NZ-OD1 3.11Å
421	C	96.4	Very high	94.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.007	18%	0.18	C	C	.	.			trans	-129.5	97.3	177.5	-159.8	0	0	0	0	110.3	K394 L397 N398 K399 C425	K394-C421 VanDerWaalsContact CE-SG 3.55Å; L397-C421 HydrophobicContact CG-CB 4.24Å; N398-C421 VanDerWaalsContact O-CB 3.3Å; N398-C421 WeakPolarHBondContact O-CB 3.35Å; K399-C421 HydrophobicContact CD-CB 4.44Å; K399-C421 VanDerWaalsContact CE-O 3.27Å; K399-C421 WeakPolarHBondContact CE-O 3.09Å; K399-C421 PolarHBondContact NZ-O 3.2Å; C421-C425 HydrophobicContact CB-CB 3.82Å; C421-C425 WeakPolarHBondContact CB-SG 3.28Å; C421-C425 WeakPolarHBondContact SG-CB 3.43Å; C421-C425 CovalentContact SG-SG 2.01Å; C421-C425 PolarHBondContact SG-SG 2.76Å
422	P	94.3	Very high	94.2	Very high	42 Å²	42	30.5 Å²	30.5	27%	0.273	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-66.8	147.7	-177	28.7	-35.4	0	0	0	110.9	P73 T74 K394 P424 C425	P73-P422 HydrophobicContact CB-CB 4.41Å; P73-P422 HydrophobicContact CB-CG 4.06Å; P73-P422 HydrophobicContact CG-CG 4.18Å; T74-P422 HydrophobicContact CG2-CG 4.37Å; K394-P422 PolarHBondContact NZ-O 2.85Å; P422-P424 CarbonylContact O-C 3.58Å; P422-C425 WeakPolarHBondContact O-CB 3.45Å
423	N	91.6	Very high	94.1	Very high	86 Å²	86	32.3 Å²	32.3	46%	0.46	17%	0.168	S	C	.	.	S	Bend	trans	-64.6	142.8	178.4	-68.2	-38	0	0	0	111.2	K399	K399-N423 WeakPolarHBondContact CE-OD1 3.43Å; K399-N423 PolarHBondContact NZ-OD1 3.25Å
424	P	92.1	Very high	93.9	Very high	81 Å²	81	29.6 Å²	29.6	53%	0.526	16%	0.158	S	C	.	.	S	Bend	cis	-74.7	133.7	-4.3	30.7	-33.9	0	0	0	112	Y59 K394 P422	Y59-P424 HydrophobicContact CD1-CB 4.29Å; Y59-P424 HydrophobicContact CE1-CB 4.06Å; K394-P424 PolarHBondContact NZ-O 3.45Å; P422-P424 CarbonylContact O-C 3.58Å
425	C	91.9	Very high	93.6	Very high	5 Å²	5	30.9 Å²	30.9	3%	0.034	17%	0.166	C	C	.	.			trans	-150.5	145.1	175.9	-176.3	0	0	0	0	111.2	Y59 N398 K399 C421 P422	Y59-C425 VanDerWaalsContact CD1-C 3.46Å; N398-C425 VanDerWaalsContact CA-SG 3.54Å; K399-C425 HydrophobicContact CD-CB 4.34Å; K399-C425 HydrophobicContact CG-CB 4.28Å; C421-C425 HydrophobicContact CB-CB 3.82Å; C421-C425 WeakPolarHBondContact CB-SG 3.28Å; C421-C425 WeakPolarHBondContact SG-CB 3.43Å; C421-C425 CovalentContact SG-SG 2.01Å; C421-C425 PolarHBondContact SG-SG 2.76Å; P422-C425 WeakPolarHBondContact O-CB 3.45Å
426	M	88.2	Confident	93.2	Very high	19 Å²	19	30.9 Å²	30.9	9%	0.094	17%	0.167	C	C	.	.			trans	-65.5	135.2	-175.3	-154.7	148.9	81.2	0	0	110.6	P395 K399 W428	P395-M426 HydrophobicContact CB-CE 3.29Å; P395-M426 HydrophobicContact CB-SD 4.21Å; P395-M426 HydrophobicContact CG-CE 3.95Å; K399-M426 WeakPolarHBondContact CB-O 3.42Å; K399-M426 VanDerWaalsContact CG-O 3.27Å; K399-M426 WeakPolarHBondContact CG-O 3.35Å; K399-M426 PolarHBondContact N-O 2.69Å; M426-W428 VanDerWaalsContact CE-CD1 3.47Å; M426-W428 WeakPolarHBondContact CE-O 3.48Å; M426-W428 HydrophobicContact CG-CD2 4.49Å; M426-W428 HydrophobicContact CG-CG 4.27Å; M426-W428 PolarHBondContact O-N 2.93Å; M426-W428 PolarHBondContact SD-NE1 3.03Å; M426-W428 VanDerWaalsContact SD-NE1 3.44Å
427	P	86.4	Confident	92.7	Very high	4 Å²	4	32.9 Å²	32.9	3%	0.026	18%	0.177	C	C	.	.			trans	-70.9	-12.7	177.4	30.3	-36.8	0	0	0	113.2	F55 W202 W209 L400	F55-P427 HydrophobicContact CD1-CG 4.29Å; F55-P427 HydrophobicContact CE1-CB 4.43Å; F55-P427 HydrophobicContact CE1-CG 3.72Å; F55-P427 HydrophobicContact CE2-CG 4.23Å; F55-P427 HydrophobicContact CZ-CB 4.35Å; F55-P427 HydrophobicContact CZ-CG 3.71Å; W202-P427 HydrophobicContact CH2-CB 3.97Å; W202-P427 HydrophobicContact CZ3-CB 3.98Å; W209-P427 PolarHBondContact NE1-O 3.07Å; L400-P427 WeakPolarHBondContact CG-O 3.38Å
428	W	78.8	Confident	92.2	Very high	54 Å²	54	33 Å²	33	21%	0.205	18%	0.182	C	C	.	.			trans	-131.2	0	-177.8	50.7	66	0	0	0	111.5	F55 L198 L363 N398 L400 M426	F55-W428 HydrophobicContact CD2-CH2 4.43Å; L198-W428 HydrophobicContact CD1-CB 4.01Å; L363-W428 HydrophobicContact CB-CZ2 4.31Å; L363-W428 HydrophobicContact CD2-CZ2 4.42Å; L363-W428 VanDerWaalsContact O-CD1 3.3Å; L363-W428 PolarHBondContact O-NE1 3.34Å; N398-W428 WeakPolarHBondContact CB-O 3.49Å; L400-W428 HydrophobicContact CD1-CB 4.49Å; M426-W428 VanDerWaalsContact CE-CD1 3.47Å; M426-W428 WeakPolarHBondContact CE-O 3.48Å; M426-W428 HydrophobicContact CG-CD2 4.49Å; M426-W428 HydrophobicContact CG-CG 4.27Å; M426-W428 PolarHBondContact O-N 2.93Å; M426-W428 PolarHBondContact SD-NE1 3.03Å; M426-W428 VanDerWaalsContact SD-NE1 3.44Å

Retrieved 428 of 428 residues in 337.9 ms (Link to these results)

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