A0A087XJT5_POEFO Loading...

Heparanase

AlphaFold DB , UniProt , Accession A0A087XJT5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 550 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	C	33.1	Very low	28.5	Very low	190 Å²	190	134.9 Å²	134.9	100%	1.284	84%	0.84	S	S	*	*				0	129.4	0	-68.7	0	0	0	0	108.8
2	L	28.8	Very low	28.4	Very low	179 Å²	179	134.7 Å²	134.7	94%	0.937	83%	0.828	S	S	*	*			trans	-58.5	154.5	-174.7	-70	135.1	0	0	0	113.5
3	S	27.2	Very low	28.2	Very low	116 Å²	116	135.6 Å²	135.6	81%	0.811	82%	0.823	S	S	*	*				-167.4	120.6	129.5	-175	0	0	0	0	112.2
4	A	31.7	Very low	28.3	Very low	94 Å²	94	137.4 Å²	137.4	78%	0.777	82%	0.824	S	S	*	*			trans	53.3	129.9	147.2	0	0	0	0	0	120.3
5	G	29.7	Very low	28.1	Very low	69 Å²	69	138.1 Å²	138.1	71%	0.711	82%	0.821	S	S	*	*			cis	88.5	120.8	35.1	0	0	0	0	0	108.4
6	D	28.6	Very low	28.1	Very low	156 Å²	156	136.4 Å²	136.4	83%	0.834	81%	0.813	S	S	*	*			cis	-155.6	143.5	35.4	-83.5	-40.9	0	0	0	109.2
7	M	27	Very low	28	Very low	150 Å²	150	139.9 Å²	139.9	74%	0.739	82%	0.816	S	S	*	*				71.1	94.2	72	-142.2	-173.1	77.4	0	0	115.2
8	H	28.6	Very low	27.9	Very low	172 Å²	172	144.1 Å²	144.1	80%	0.796	82%	0.823	S	S	*	*			trans	-175	129.4	132.2	-103.1	-37.2	0	0	0	113.9
9	S	26.7	Very low	27.9	Very low	116 Å²	116	141.2 Å²	141.2	81%	0.811	81%	0.812	S	S	*	*			trans	130.2	94.7	136	-70.1	0	0	0	0	114.5
10	A	25.7	Very low	27.8	Very low	91 Å²	91	145.1 Å²	145.1	75%	0.752	81%	0.814	S	S	*	*			trans	-75.4	140.7	147.2	0	0	0	0	0	108.8
11	L	26.7	Very low	27.8	Very low	151 Å²	151	150.3 Å²	150.3	79%	0.791	82%	0.821	S	S	*	*				160	135.6	109.4	-141	69.2	0	0	0	112
12	L	26.6	Very low	27.7	Very low	132 Å²	132	146.5 Å²	146.5	69%	0.691	80%	0.796	S	S	*	*			trans	85.2	125.9	151.1	-76	132.4	0	0	0	123.4
13	L	26.4	Very low	27.5	Very low	147 Å²	147	142 Å²	142	77%	0.77	79%	0.794	S	S	*	*			trans	98.3	98.4	133.4	-82.6	155.8	0	0	0	119.9
14	L	28.7	Very low	27.4	Very low	160 Å²	160	140 Å²	140	84%	0.838	79%	0.792	S	S	*	*			trans	-36.6	138.2	145.4	-81.6	118.8	0	0	0	112.9
15	L	26.5	Very low	27.2	Very low	148 Å²	148	143.2 Å²	143.2	78%	0.775	80%	0.795	S	S	*	*				-176.7	133.6	126.7	-94.6	158.5	0	0	0	111.5
16	T	27.2	Very low	27.1	Very low	112 Å²	112	150.7 Å²	150.7	69%	0.687	80%	0.802	S	S	*	*			trans	59.8	119.6	145.2	55.1	0	0	0	0	121.2
17	F	27	Very low	27.1	Very low	196 Å²	196	149.9 Å²	149.9	86%	0.86	80%	0.797	S	S	*	*				-154.7	104.6	125.3	-98.7	-75	0	0	0	110.1
18	F	26.7	Very low	27.2	Very low	215 Å²	215	151.9 Å²	151.9	94%	0.943	80%	0.802	S	S	*	*			trans	-124.4	118.5	156.9	-106	-80.2	0	0	0	106.5
19	S	27.2	Very low	27.3	Very low	88 Å²	88	152.1 Å²	152.1	62%	0.615	80%	0.803	S	S	*	*			trans	-130.7	112	175.5	-60.2	0	0	0	0	109.8
20	Y	26.6	Very low	27.4	Very low	219 Å²	219	149.1 Å²	149.1	86%	0.859	79%	0.791	S	S	*	*			trans	48.2	111.7	137.5	-85.9	-97.1	0	0	0	120.1
21	R	26.6	Very low	28.2	Very low	256 Å²	256	150.6 Å²	150.6	97%	0.966	80%	0.795	S	S	*	*			trans	-128.1	115.8	141.8	-123.1	179.9	-176.4	-176.9	0.9	108.6
22	S	30.7	Very low	28.7	Very low	109 Å²	109	149.5 Å²	149.5	76%	0.762	79%	0.79	S	S	*	*			trans	-93.2	147.6	-179	42.5	0	0	0	0	111.7
23	G	25.6	Very low	29.3	Very low	86 Å²	86	149.2 Å²	149.2	89%	0.887	79%	0.788	S	S	*	*			trans	98.9	96.1	138.4	0	0	0	0	0	117.1
24	G	24.8	Very low	29.9	Very low	74 Å²	74	148.8 Å²	148.8	76%	0.763	79%	0.787	S	S	*	*			trans	173.9	17.3	165.3	0	0	0	0	0	118	R26	G24-R26 PolarHBondContact O-N 3.09Å
25	D	27.5	Very low	31.1	Very low	160 Å²	160	148.7 Å²	148.7	86%	0.856	78%	0.782	S	S	*	*			trans	-70.9	98.3	174.4	-80.2	-31	0	0	0	110.9	L27	D25-L27 PolarHBondContact O-N 2.86Å
26	R	27.3	Very low	33	Very low	227 Å²	227	146.9 Å²	146.9	86%	0.857	77%	0.773	S	S	*	*			trans	-83.7	89.5	153.2	-82.6	-172.7	179.9	179.8	1	108.2	G24 F28	G24-R26 PolarHBondContact O-N 3.09Å; R26-F28 PolarHBondContact O-N 2.9Å
27	L	28.9	Very low	35.6	Very low	139 Å²	139	144 Å²	144	73%	0.728	75%	0.753	S	S	*	*			trans	-51.6	97.9	156.6	-81.1	149.3	0	0	0	109.5	D25 H29	D25-L27 PolarHBondContact O-N 2.86Å; L27-H29 PolarHBondContact O-N 3.39Å; L27-H29 VanDerWaalsContact O-N 3.09Å
28	F	28.6	Very low	38.4	Very low	192 Å²	192	137.5 Å²	137.5	84%	0.842	73%	0.73	S	S	*	*			trans	-77.5	75.2	151.1	-89.3	-82.1	0	0	0	107.7	R26 G30	R26-F28 PolarHBondContact O-N 2.9Å; F28-G30 VanDerWaalsContact C-N 3.31Å; F28-G30 PolarHBondContact O-N 3.47Å
29	H	31.8	Very low	41.4	Very low	176 Å²	176	127.6 Å²	127.6	82%	0.815	69%	0.687	S	S	*	*			trans	-73	95.8	152.7	-109.1	25.8	0	0	0	107.1	L27	L27-H29 PolarHBondContact O-N 3.39Å; L27-H29 VanDerWaalsContact O-N 3.09Å
30	G	28.5	Very low	44.5	Very low	54 Å²	54	126.3 Å²	126.3	56%	0.557	67%	0.673	S	S	*	*			trans	-128.5	87.7	165.6	0	0	0	0	0	108.3	F28 L32	F28-G30 VanDerWaalsContact C-N 3.31Å; F28-G30 PolarHBondContact O-N 3.47Å; G30-L32 VanDerWaalsContact C-N 3.31Å; G30-L32 PolarHBondContact O-N 3.36Å
31	S	42.5	Very low	47.6	Very low	121 Å²	121	116.3 Å²	116.3	85%	0.846	63%	0.634	S	S	*	*			trans	-60.7	96.2	158.2	61	0	0	0	0	108.4
32	L	37.4	Very low	50.8	Low	128 Å²	128	108 Å²	108	67%	0.67	61%	0.609	S	S	*	*			trans	-122.2	74.1	167.9	-85.9	162.1	0	0	0	108.9	G30	G30-L32 VanDerWaalsContact C-N 3.31Å; G30-L32 PolarHBondContact O-N 3.36Å
33	L	38.7	Very low	53.8	Low	126 Å²	126	103.6 Å²	103.6	66%	0.66	58%	0.576	S	S	*	*			trans	54.2	121.5	137.5	-66.2	161.6	0	0	0	117.9	Q35	L33-Q35 HydrophobicContact CB-CG 4.44Å; L33-Q35 PolarHBondContact O-N 3.26Å
34	D	40.1	Very low	57.2	Low	139 Å²	139	102.1 Å²	102.1	74%	0.743	55%	0.548	S	S	*	.			trans	-56.4	52	165.4	-153.7	23.6	0	0	0	113.3	K465	D34-K465 IonicContact OD1-NZ 2.73Å; D34-K465 PolarHBondContact OD1-NZ 2.96Å
35	Q	52.5	Low	60.6	Low	157 Å²	157	99.7 Å²	99.7	73%	0.734	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-89.7	132.9	171.1	-72.4	-179	-9.9	0	0	109.2	L33 L37	L33-Q35 HydrophobicContact CB-CG 4.44Å; L33-Q35 PolarHBondContact O-N 3.26Å; Q35-L37 PolarHBondContact O-N 3.27Å
36	D	66.4	Low	63.9	Low	110 Å²	110	98.5 Å²	98.5	59%	0.588	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-51.1	121.9	167.7	-76	-27.1	0	0	0	108.5	V38	D36-V38 PolarHBondContact O-N 3.13Å; D36-V38 VanDerWaalsContact O-N 3.1Å
37	L	82.1	Confident	67.2	Low	51 Å²	51	90 Å²	90	27%	0.267	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-63.7	116.5	176.7	-179.7	66.6	0	0	0	107.9	Q35 L39 V467 R468	Q35-L37 PolarHBondContact O-N 3.27Å; L37-L39 HydrophobicContact CD1-CD2 4.06Å; L37-L39 HydrophobicContact CD2-CD2 4.2Å; L37-L39 HydrophobicContact CD2-CG 4.43Å; L37-L39 HydrophobicContact CG-CD2 4.02Å; L37-L39 HydrophobicContact CG-CG 4.24Å; L37-V467 HydrophobicContact CB-CG1 4.25Å; L37-V467 HydrophobicContact CB-CG2 4.3Å; L37-V467 HydrophobicContact CD2-CG1 4.04Å; L37-V467 HydrophobicContact CD2-CG2 3.98Å; L37-V467 HydrophobicContact CG-CG1 4.09Å; L37-V467 WeakPolarHBondContact O-CG1 3.43Å; L37-R468 PolarHBondContact O-N 3.23Å
38	V	86.9	Confident	70.5	Confident	61 Å²	61	85.9 Å²	85.9	37%	0.37	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.6	171.7	-173.3	0	0	0	0	108.2	D36 R468	D36-V38 PolarHBondContact O-N 3.13Å; D36-V38 VanDerWaalsContact O-N 3.1Å; V38-R468 CarbonylContact C-O 3.6Å; V38-R468 VanDerWaalsContact CA-O 3.27Å; V38-R468 WeakPolarHBondContact CA-O 3.41Å; V38-R468 HydrophobicContact CG2-CB 4.27Å
39	L	89.4	Confident	73.8	Confident	7 Å²	7	80.6 Å²	80.6	4%	0.037	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	115.8	179.2	-62.2	178.7	0	0	0	109.9	L37 L424 S431 V434 V467 R468 I469 S470	L37-L39 HydrophobicContact CD1-CD2 4.06Å; L37-L39 HydrophobicContact CD2-CD2 4.2Å; L37-L39 HydrophobicContact CD2-CG 4.43Å; L37-L39 HydrophobicContact CG-CD2 4.02Å; L37-L39 HydrophobicContact CG-CG 4.24Å; L39-L424 HydrophobicContact CB-CD2 4.04Å; L39-L424 HydrophobicContact CD1-CD2 4.49Å; L39-S431 WeakPolarHBondContact CD1-OG 3.42Å; L39-V434 HydrophobicContact CD1-CB 3.8Å; L39-V434 HydrophobicContact CD1-CG1 3.68Å; L39-V434 HydrophobicContact CD1-CG2 4.2Å; L39-V467 HydrophobicContact CD1-CG1 3.87Å; L39-V467 HydrophobicContact CG-CG1 4.02Å; L39-R468 PolarHBondContact N-O 3.44Å; L39-I469 HydrophobicContact CB-CG2 4.25Å; L39-I469 CarbonylContact O-C 3.54Å; L39-I469 WeakPolarHBondContact O-CA 3.2Å; L39-S470 PolarHBondContact O-N 3.29Å
40	D	91.4	Very high	76.8	Confident	60 Å²	60	76.6 Å²	76.6	32%	0.321	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	120.4	177.3	-58.1	-57.1	0	0	0	110.7	V425 S426 S470	D40-V425 HydrophobicContact CB-CB 4.03Å; D40-V425 HydrophobicContact CB-CG2 4.33Å; D40-V425 PolarHBondContact O-N 3.16Å; D40-S426 PolarHBondContact OD2-OG 3.39Å; D40-S470 WeakPolarHBondContact OD1-CB 3.41Å
41	L	92.7	Very high	80.1	Confident	10 Å²	10	81.1 Å²	81.1	5%	0.052	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	138.9	-179.2	-52.1	-168.3	0	0	0	110.7	M43 L422 L424 L436 L457 I469 S470 L471 P472	L41-M43 HydrophobicContact CB-CG 4.31Å; L41-L422 HydrophobicContact CD1-CD1 4.46Å; L41-L424 HydrophobicContact CD2-CD2 3.51Å; L41-L436 HydrophobicContact CD1-CD1 4.28Å; L41-L436 HydrophobicContact CD2-CD1 3.36Å; L41-L436 HydrophobicContact CG-CD1 4.48Å; L41-L457 HydrophobicContact CD1-CD2 4.05Å; L41-I469 HydrophobicContact CD1-CB 4.13Å; L41-I469 HydrophobicContact CD1-CD1 3.96Å; L41-I469 HydrophobicContact CD2-CB 4.4Å; L41-I469 HydrophobicContact CD2-CG2 4.37Å; L41-I469 HydrophobicContact CG-CB 4.23Å; L41-S470 PolarHBondContact N-O 3.39Å; L41-S470 VanDerWaalsContact N-O 3.09Å; L41-L471 HydrophobicContact CD1-CD2 4.19Å; L41-P472 WeakPolarHBondContact O-CG 3.46Å
42	D	92.8	Very high	82.8	Confident	82 Å²	82	75.8 Å²	75.8	44%	0.439	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	123.6	161.6	-179.2	22.9	0	0	0	108.6	L422 Q423 V425	D42-L422 CarbonylContact O-C 3.59Å; D42-L422 WeakPolarHBondContact O-CA 3.45Å; D42-Q423 HydrophobicContact CB-CB 4.37Å; D42-Q423 PolarHBondContact N-O 3.44Å; D42-Q423 PolarHBondContact O-N 3.02Å; D42-V425 HydrophobicContact CB-CG2 3.88Å
43	M	95	Very high	85.6	Confident	15 Å²	15	71.3 Å²	71.3	7%	0.074	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	114.8	-171.6	-59.7	174.9	73.2	0	0	109.2	L41 L45 L422 L438 V455 P472 V475 M541	L41-M43 HydrophobicContact CB-CG 4.31Å; M43-L45 HydrophobicContact CB-CD2 4.17Å; M43-L45 PolarHBondContact O-N 2.96Å; M43-L422 HydrophobicContact CG-CD1 4.34Å; M43-L438 HydrophobicContact CB-CD2 3.95Å; M43-L438 HydrophobicContact CE-CD1 3.31Å; M43-L438 HydrophobicContact CE-CD2 3.43Å; M43-L438 VanDerWaalsContact CE-CD2 3.43Å; M43-L438 HydrophobicContact CE-CG 3.99Å; M43-L438 HydrophobicContact CG-CD2 4.17Å; M43-V455 HydrophobicContact CE-CG2 4.38Å; M43-P472 HydrophobicContact CB-CG 4.25Å; M43-P472 HydrophobicContact CG-CG 4.05Å; M43-P472 HydrophobicContact SD-CG 4.14Å; M43-V475 HydrophobicContact SD-CG1 4.44Å; M43-V475 HydrophobicContact SD-CG2 4.39Å; M43-M541 HydrophobicContact CE-CE 4.23Å; M43-M541 HydrophobicContact CE-SD 3.86Å
44	D	95.9	Very high	88.4	Confident	55 Å²	55	69.2 Å²	69.2	29%	0.294	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	102.8	174.5	-173.1	-8.9	0	0	0	109.6	L46 A47 K421	D44-L46 PolarHBondContact OD1-N 3.23Å; D44-A47 PolarHBondContact OD1-N 3.49Å; D44-K421 HydrophobicContact CB-CB 3.98Å; D44-K421 PolarHBondContact N-O 3.41Å
45	L	96.3	Very high	91.2	Very high	24 Å²	24	65.6 Å²	65.6	13%	0.126	34%	0.336	C	S	.	.			trans	-94.5	-3.1	-179.8	-56.2	-171.7	0	0	0	113.1	M43 L420 L438 V455 V475 A546 P547 A548	M43-L45 HydrophobicContact CB-CD2 4.17Å; M43-L45 PolarHBondContact O-N 2.96Å; L45-L420 HydrophobicContact CD2-CD1 4.12Å; L45-L438 HydrophobicContact CD2-CD2 4.06Å; L45-V455 HydrophobicContact CD2-CG1 4.12Å; L45-V455 HydrophobicContact CD2-CG2 4.46Å; L45-V475 HydrophobicContact CD1-CG2 3.65Å; L45-A546 HydrophobicContact CB-CB 3.83Å; L45-A546 HydrophobicContact CD1-CB 4.34Å; L45-A546 HydrophobicContact CD2-CB 4.29Å; L45-A546 HydrophobicContact CG-CB 4.38Å; L45-P547 VanDerWaalsContact O-CD 3.31Å; L45-P547 WeakPolarHBondContact O-CD 3.17Å; L45-A548 WeakPolarHBondContact O-CB 3.35Å; L45-A548 PolarHBondContact O-N 3.16Å
46	L	96.6	Very high	93.4	Very high	134 Å²	134	58.3 Å²	58.3	70%	0.702	30%	0.302	S	S	*	.	S	Bend	trans	-90.4	-28.8	-171.1	-60.7	179.6	0	0	0	112.5	D44 P547	D44-L46 PolarHBondContact OD1-N 3.23Å; L46-P547 HydrophobicContact CD2-CG 3.99Å
47	A	97	Very high	94.9	Very high	49 Å²	49	53.1 Å²	53.1	41%	0.405	27%	0.274	S	S	.	.	S	Bend	trans	-132.8	141.2	-175.7	0	0	0	0	0	113.1	D44 L49	D44-A47 PolarHBondContact OD1-N 3.49Å; A47-L49 PolarHBondContact O-N 3.17Å
48	V	97.8	Very high	95.7	Very high	53 Å²	53	50.7 Å²	50.7	32%	0.321	26%	0.262	S	S	.	.			trans	-74.6	116.7	167.2	178	0	0	0	0	108	R50 E418 A548	V48-R50 VanDerWaalsContact C-N 3.31Å; V48-R50 WeakPolarHBondContact CG1-O 3.32Å; V48-E418 HydrophobicContact CG1-CB 4Å; V48-E418 HydrophobicContact CG1-CG 4.28Å; V48-E418 HydrophobicContact CG2-CB 3.94Å; V48-E418 HydrophobicContact CG2-CG 3.96Å; V48-A548 HydrophobicContact CG2-CB 3.99Å
49	L	97.4	Very high	96.3	Very high	80 Å²	80	47.8 Å²	47.8	42%	0.419	24%	0.244	S	C	.	.	S	Bend	trans	-63.7	-42.3	176.4	-179.6	65.8	0	0	0	110.4	A47 R375 V419 K421	A47-L49 PolarHBondContact O-N 3.17Å; L49-R375 HydrophobicContact CD2-CG 4.25Å; L49-V419 WeakPolarHBondContact CB-O 3.25Å; L49-V419 PolarHBondContact N-O 3.04Å; L49-K421 HydrophobicContact CD2-CB 4.41Å
50	R	96.3	Very high	96.7	Very high	93 Å²	93	47.5 Å²	47.5	35%	0.351	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.6	162.4	178.6	38.4	179.4	55.3	-104.4	15.4	110.5	V48 A374 R375 L376 V419	V48-R50 VanDerWaalsContact C-N 3.31Å; V48-R50 WeakPolarHBondContact CG1-O 3.32Å; R50-A374 WeakPolarHBondContact CD-O 3.38Å; R50-R375 VanDerWaalsContact CD-O 3.24Å; R50-R375 WeakPolarHBondContact CD-O 3.43Å; R50-R375 PolarHBondContact NE-O 3.05Å; R50-L376 PolarHBondContact NH2-O 2.9Å; R50-V419 HydrophobicContact CG-CB 3.93Å; R50-V419 HydrophobicContact CG-CG1 4.41Å; R50-V419 HydrophobicContact CG-CG2 4.08Å; R50-V419 WeakPolarHBondContact O-CB 3.48Å; R50-V419 WeakPolarHBondContact O-CG2 3.31Å; R50-V419 PolarHBondContact O-N 2.83Å
51	R	97.5	Very high	97	Very high	149 Å²	149	44.6 Å²	44.6	56%	0.562	23%	0.227	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-122	122	-179.6	-178	-178.9	-71.7	-91.7	-7.3	108.9	P417 E418	R51-P417 WeakPolarHBondContact CA-O 3.29Å; R51-P417 HydrophobicContact CG-CB 4.43Å; R51-E418 IonicContact CZ-OE1 3.09Å; R51-E418 IonicContact NH1-OE1 2.64Å; R51-E418 PolarHBondContact NH1-OE1 3.04Å; R51-E418 IonicContact NH2-OE1 2.92Å; R51-E418 PolarHBondContact NH2-OE1 3.18Å
52	V	98	Very high	97	Very high	9 Å²	9	45 Å²	45	6%	0.055	23%	0.229	C	C	.	.			trans	-87.7	165.2	174.7	-61.5	0	0	0	0	111	F56 A374 P417 V419	V52-F56 HydrophobicContact CB-CB 3.96Å; V52-F56 HydrophobicContact CB-CD2 3.61Å; V52-F56 HydrophobicContact CB-CE2 4.34Å; V52-F56 HydrophobicContact CB-CG 3.92Å; V52-F56 HydrophobicContact CG1-CD2 3.71Å; V52-F56 HydrophobicContact CG1-CE2 3.93Å; V52-F56 HydrophobicContact CG1-CG 4.29Å; V52-F56 HydrophobicContact CG2-CB 3.63Å; V52-F56 HydrophobicContact CG2-CD1 4.43Å; V52-F56 HydrophobicContact CG2-CD2 4Å; V52-F56 HydrophobicContact CG2-CG 3.77Å; V52-A374 HydrophobicContact CG1-CB 3.93Å; V52-P417 HydrophobicContact CG2-CB 4.14Å; V52-P417 WeakPolarHBondContact CG2-O 3.29Å; V52-P417 PolarHBondContact N-O 3.32Å; V52-P417 WeakPolarHBondContact O-CB 3.27Å; V52-V419 HydrophobicContact CG1-CG2 4.03Å
53	D	97.9	Very high	97.1	Very high	34 Å²	34	41.1 Å²	41.1	18%	0.182	21%	0.208	C	C	.	.			trans	-62	143.1	173.1	-169.5	-68.7	0	0	0	109.5	R55 F56 D379 V380	D53-R55 PolarHBondContact O-N 3.32Å; D53-R55 WeakPolarHBondContact OD1-CA 3.48Å; D53-R55 WeakPolarHBondContact OD1-CB 3.38Å; D53-R55 IonicContact OD1-CZ 3.54Å; D53-R55 PolarHBondContact OD1-N 2.95Å; D53-R55 IonicContact OD1-NE 2.59Å; D53-R55 PolarHBondContact OD1-NE 3.09Å; D53-R55 IonicContact OD1-NH2 3.36Å; D53-R55 IonicContact OD2-CZ 3.19Å; D53-R55 IonicContact OD2-NE 3.23Å; D53-R55 IonicContact OD2-NH2 3.83Å; D53-R55 PolarHBondContact OD2-NH2 2.84Å; D53-F56 WeakPolarHBondContact O-CA 3.5Å; D53-F56 WeakPolarHBondContact O-CB 3.4Å; D53-F56 PolarHBondContact O-N 3.38Å; D53-D379 VanDerWaalsContact CB-O 3.3Å; D53-D379 WeakPolarHBondContact CB-O 3.42Å; D53-D379 PolarHBondContact N-O 3.08Å; D53-V380 HydrophobicContact CB-CG2 3.88Å
54	P	96.5	Very high	97	Very high	81 Å²	81	40.8 Å²	40.8	53%	0.526	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-23.1	172.3	-28.1	36.4	0	0	0	114.3	F56	P54-F56 VanDerWaalsContact C-N 3.31Å
55	R	98.1	Very high	96.9	Very high	63 Å²	63	38.1 Å²	38.1	24%	0.238	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	19.8	173.8	-59.2	161.8	-66.9	-173.6	4.3	112.1	D53 L57 S58 P89 F91 D183	D53-R55 PolarHBondContact O-N 3.32Å; D53-R55 WeakPolarHBondContact OD1-CA 3.48Å; D53-R55 WeakPolarHBondContact OD1-CB 3.38Å; D53-R55 IonicContact OD1-CZ 3.54Å; D53-R55 PolarHBondContact OD1-N 2.95Å; D53-R55 IonicContact OD1-NE 2.59Å; D53-R55 PolarHBondContact OD1-NE 3.09Å; D53-R55 IonicContact OD1-NH2 3.36Å; D53-R55 IonicContact OD2-CZ 3.19Å; D53-R55 IonicContact OD2-NE 3.23Å; D53-R55 IonicContact OD2-NH2 3.83Å; D53-R55 PolarHBondContact OD2-NH2 2.84Å; R55-L57 CarbonylContact O-C 3.12Å; R55-L57 PolarHBondContact O-N 2.9Å; R55-S58 PolarHBondContact O-OG 3.14Å; R55-P89 HydrophobicContact CG-CB 4.07Å; R55-F91 HydrophobicContact CB-CD2 3.73Å; R55-F91 HydrophobicContact CB-CE2 3.9Å; R55-F91 HydrophobicContact CG-CD2 4.47Å; R55-F91 HydrophobicContact CG-CE2 4.49Å; R55-F91 VanDerWaalsContact NH2-CZ 3.31Å; R55-D183 WeakPolarHBondContact CD-OD2 3.47Å; R55-D183 IonicContact CZ-OD2 3.44Å; R55-D183 IonicContact NE-OD2 3.42Å; R55-D183 IonicContact NH1-OD2 2.74Å; R55-D183 PolarHBondContact NH1-OD2 3.34Å
56	F	98.8	Very high	96.8	Very high	5 Å²	5	37 Å²	37	2%	0.022	19%	0.188	C	C	.	.			trans	-46.1	-56.8	-175.5	175.6	-107.5	0	0	0	112.8	V52 D53 P54 S58 L370 A374 L378 D379 V381 Y411	V52-F56 HydrophobicContact CB-CB 3.96Å; V52-F56 HydrophobicContact CB-CD2 3.61Å; V52-F56 HydrophobicContact CB-CE2 4.34Å; V52-F56 HydrophobicContact CB-CG 3.92Å; V52-F56 HydrophobicContact CG1-CD2 3.71Å; V52-F56 HydrophobicContact CG1-CE2 3.93Å; V52-F56 HydrophobicContact CG1-CG 4.29Å; V52-F56 HydrophobicContact CG2-CB 3.63Å; V52-F56 HydrophobicContact CG2-CD1 4.43Å; V52-F56 HydrophobicContact CG2-CD2 4Å; V52-F56 HydrophobicContact CG2-CG 3.77Å; D53-F56 WeakPolarHBondContact O-CA 3.5Å; D53-F56 WeakPolarHBondContact O-CB 3.4Å; D53-F56 PolarHBondContact O-N 3.38Å; P54-F56 VanDerWaalsContact C-N 3.31Å; F56-S58 PolarHBondContact O-N 2.86Å; F56-L370 HydrophobicContact CD1-CD2 4.22Å; F56-L370 HydrophobicContact CE1-CB 4.18Å; F56-L370 HydrophobicContact CE1-CD2 3.73Å; F56-L370 WeakPolarHBondContact CE1-O 3.33Å; F56-L370 VanDerWaalsContact CZ-O 3.32Å; F56-L370 WeakPolarHBondContact CZ-O 3.22Å; F56-A374 HydrophobicContact CE1-CB 4.03Å; F56-A374 HydrophobicContact CE2-CB 4.16Å; F56-A374 HydrophobicContact CZ-CB 3.67Å; F56-L378 WeakPolarHBondContact CE2-O 3.31Å; F56-D379 WeakPolarHBondContact CD2-O 3.28Å; F56-V381 HydrophobicContact CD2-CG2 4.31Å; F56-V381 HydrophobicContact CE1-CG2 4.25Å; F56-V381 HydrophobicContact CE2-CG2 3.56Å; F56-V381 HydrophobicContact CZ-CB 4.45Å; F56-V381 HydrophobicContact CZ-CG2 3.51Å; F56-V381 PolarHBondContact O-N 2.93Å; F56-Y411 HydrophobicContact CD1-CE1 4.13Å; F56-Y411 WeakPolarHBondContact CD1-OH 3.36Å; F56-Y411 WeakPolarHBondContact CE1-OH 3.43Å
57	L	98.8	Very high	96.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	108.1	167.5	-172.8	169.2	0	0	0	108.5	R55 W366 L370 Y411 K412	R55-L57 CarbonylContact O-C 3.12Å; R55-L57 PolarHBondContact O-N 2.9Å; L57-W366 HydrophobicContact CD1-CZ2 4.15Å; L57-W366 HydrophobicContact CD2-CZ2 4.38Å; L57-W366 HydrophobicContact CG-CZ2 3.89Å; L57-L370 HydrophobicContact CB-CD2 4.1Å; L57-L370 HydrophobicContact CD1-CD1 3.73Å; L57-L370 HydrophobicContact CD1-CD2 4.28Å; L57-L370 HydrophobicContact CG-CD1 4.41Å; L57-L370 HydrophobicContact CG-CD2 4.1Å; L57-Y411 HydrophobicContact CB-CD1 4.17Å; L57-Y411 HydrophobicContact CB-CE1 4.28Å; L57-Y411 HydrophobicContact CD1-CD1 3.76Å; L57-Y411 HydrophobicContact CD1-CG 4.02Å; L57-K412 WeakPolarHBondContact O-CE 3.17Å; L57-K412 PolarHBondContact O-NZ 3.06Å
58	S	98.9	Very high	96.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	173.9	177.2	-78.4	0	0	0	0	110.7	R55 F56 F91 V381 M382 R383	R55-S58 PolarHBondContact O-OG 3.14Å; F56-S58 PolarHBondContact O-N 2.86Å; S58-F91 WeakPolarHBondContact CB-O 3.41Å; S58-F91 WeakPolarHBondContact OG-CB 3.32Å; S58-F91 PolarHBondContact OG-N 2.85Å; S58-V381 PolarHBondContact N-O 2.92Å; S58-M382 WeakPolarHBondContact O-CA 3.41Å; S58-R383 PolarHBondContact O-N 2.97Å
59	V	98.8	Very high	96.1	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.006	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138	159.1	-172.7	-58.6	0	0	0	0	111.6	L87 F91 L92 R93 R383 L386 M394	V59-L87 HydrophobicContact CG1-CD1 4.02Å; V59-F91 PolarHBondContact N-O 2.89Å; V59-F91 VanDerWaalsContact N-O 3.07Å; V59-L92 HydrophobicContact CG2-CD1 3.79Å; V59-L92 WeakPolarHBondContact O-CA 3.4Å; V59-R93 PolarHBondContact O-N 2.89Å; V59-R383 HydrophobicContact CG1-CB 4.48Å; V59-L386 HydrophobicContact CB-CB 4.13Å; V59-L386 HydrophobicContact CG2-CB 4.19Å; V59-L386 HydrophobicContact CG2-CD2 4.22Å; V59-M394 HydrophobicContact CB-CE 4.23Å; V59-M394 HydrophobicContact CG1-CE 3.34Å
60	T	98.7	Very high	96	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	159.5	174.2	71.5	0	0	0	0	111.4	R93 M382 R383 Q384 V385 L386	T60-R93 CarbonylContact C-O 3.56Å; T60-R93 WeakPolarHBondContact CA-O 3.43Å; T60-R93 WeakPolarHBondContact CB-O 3.31Å; T60-R93 HydrophobicContact CG2-CB 4.17Å; T60-M382 HydrophobicContact CG2-CB 3.97Å; T60-R383 PolarHBondContact N-O 2.8Å; T60-R383 PolarHBondContact OG1-O 3.46Å; T60-Q384 WeakPolarHBondContact OG1-CA 3.22Å; T60-Q384 PolarHBondContact OG1-OE1 3.27Å; T60-V385 WeakPolarHBondContact O-CG2 3.36Å; T60-V385 WeakPolarHBondContact OG1-CG2 3.3Å; T60-L386 WeakPolarHBondContact O-CB 3.18Å; T60-L386 PolarHBondContact O-N 3.37Å
61	I	97.6	Very high	96	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	127.3	154.6	-72.2	168	0	0	0	106	A63 L65 L75 L92 R93 F94 G95 L173 F176	I61-A63 PolarHBondContact O-N 2.85Å; I61-L65 HydrophobicContact CG2-CB 4.3Å; I61-L65 HydrophobicContact CG2-CD2 3.8Å; I61-L75 HydrophobicContact CD1-CD1 4.02Å; I61-L75 HydrophobicContact CD1-CD2 3.7Å; I61-L92 HydrophobicContact CD1-CD1 3.84Å; I61-L92 HydrophobicContact CD1-CD2 3.97Å; I61-L92 HydrophobicContact CD1-CG 4.27Å; I61-L92 HydrophobicContact CG1-CD1 3.85Å; I61-R93 PolarHBondContact N-O 2.85Å; I61-F94 HydrophobicContact CB-CD2 4.22Å; I61-F94 HydrophobicContact CG2-CD2 3.89Å; I61-F94 HydrophobicContact CG2-CE2 4.19Å; I61-F94 WeakPolarHBondContact O-CA 3.26Å; I61-G95 PolarHBondContact O-N 3.15Å; I61-L173 HydrophobicContact CD1-CD2 4.27Å; I61-F176 HydrophobicContact CD1-CD1 4.09Å; I61-F176 HydrophobicContact CD1-CE1 3.85Å
62	D	93.3	Very high	95.9	Very high	18 Å²	18	21.2 Å²	21.2	10%	0.096	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	131.4	-180	-164.8	-68.4	0	0	0	110.4	S64 L65 G95 Q384 V385	D62-S64 VanDerWaalsContact CG-OG 3.26Å; D62-S64 PolarHBondContact O-N 2.8Å; D62-S64 WeakPolarHBondContact OD1-CB 3.31Å; D62-S64 PolarHBondContact OD1-N 3.02Å; D62-S64 PolarHBondContact OD1-OG 3.09Å; D62-L65 WeakPolarHBondContact O-CB 3.4Å; D62-L65 PolarHBondContact O-N 2.96Å; D62-G95 CarbonylContact C-O 3.36Å; D62-G95 WeakPolarHBondContact CA-O 3.42Å; D62-Q384 PolarHBondContact OD2-NE2 3Å; D62-V385 HydrophobicContact CB-CG2 4.19Å
63	A	94.4	Very high	95.7	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.111	C	C	.	.	G	3₁₀ helix	trans	-55.8	-23.9	178	0	0	0	0	0	112.8	I61 L65 A66 F94 G95 K98 Q99 M102	I61-A63 PolarHBondContact O-N 2.85Å; A63-L65 PolarHBondContact O-N 2.88Å; A63-A66 PolarHBondContact O-N 3.1Å; A63-F94 HydrophobicContact CB-CE1 4.36Å; A63-F94 HydrophobicContact CB-CE2 4.49Å; A63-F94 HydrophobicContact CB-CZ 4.14Å; A63-G95 WeakPolarHBondContact CB-O 3.28Å; A63-G95 PolarHBondContact N-O 3.34Å; A63-K98 HydrophobicContact CB-CB 4.05Å; A63-Q99 HydrophobicContact CB-CB 4.26Å; A63-M102 HydrophobicContact CB-SD 3.85Å
64	S	92.3	Very high	95.6	Very high	8 Å²	8	20.9 Å²	20.9	6%	0.056	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-61	-21.9	173.4	63	0	0	0	0	114.2	D62 A66 S67	D62-S64 VanDerWaalsContact CG-OG 3.26Å; D62-S64 PolarHBondContact O-N 2.8Å; D62-S64 WeakPolarHBondContact OD1-CB 3.31Å; D62-S64 PolarHBondContact OD1-N 3.02Å; D62-S64 PolarHBondContact OD1-OG 3.09Å; S64-A66 PolarHBondContact O-N 3.06Å; S64-S67 WeakPolarHBondContact CA-OG 3.15Å; S64-S67 WeakPolarHBondContact O-CB 3.27Å; S64-S67 PolarHBondContact O-N 3.18Å; S64-S67 PolarHBondContact O-OG 3.24Å
65	L	94	Very high	95.5	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-60.2	-29.7	172.4	-170.4	67	0	0	0	111.6	I61 D62 A63 S67 F71 M72 L75 W144	I61-L65 HydrophobicContact CG2-CB 4.3Å; I61-L65 HydrophobicContact CG2-CD2 3.8Å; D62-L65 WeakPolarHBondContact O-CB 3.4Å; D62-L65 PolarHBondContact O-N 2.96Å; A63-L65 PolarHBondContact O-N 2.88Å; L65-S67 VanDerWaalsContact C-N 3.33Å; L65-F71 HydrophobicContact CD1-CB 3.87Å; L65-F71 HydrophobicContact CG-CB 4.38Å; L65-F71 WeakPolarHBondContact O-CB 3.48Å; L65-M72 HydrophobicContact CB-SD 3.95Å; L65-M72 HydrophobicContact CD2-SD 3.81Å; L65-M72 HydrophobicContact CG-SD 3.71Å; L65-L75 HydrophobicContact CD2-CD2 4.26Å; L65-L75 HydrophobicContact CD2-CG 4.47Å; L65-W144 HydrophobicContact CB-CH2 4.41Å; L65-W144 HydrophobicContact CD1-CE3 4.19Å; L65-W144 HydrophobicContact CD1-CH2 3.58Å; L65-W144 HydrophobicContact CD1-CZ2 3.95Å; L65-W144 HydrophobicContact CD1-CZ3 3.71Å
66	A	94.4	Very high	95.3	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.078	C	C	.	.	G	3₁₀ helix	trans	-88.1	6.5	175.8	0	0	0	0	0	113.8	A63 S64 E68 M72 F94 M102 V163 T169	A63-A66 PolarHBondContact O-N 3.1Å; S64-A66 PolarHBondContact O-N 3.06Å; A66-E68 PolarHBondContact O-N 2.79Å; A66-M72 HydrophobicContact CB-CG 4.12Å; A66-M72 HydrophobicContact CB-SD 3.84Å; A66-F94 HydrophobicContact CB-CE2 4.4Å; A66-F94 HydrophobicContact CB-CZ 3.77Å; A66-M102 HydrophobicContact CB-CE 3.46Å; A66-M102 VanDerWaalsContact CB-CE 3.46Å; A66-M102 HydrophobicContact CB-SD 4.44Å; A66-V163 WeakPolarHBondContact O-CG1 3.13Å; A66-T169 HydrophobicContact CB-CG2 3.97Å
67	S	90.8	Very high	95.2	Very high	23 Å²	23	16.8 Å²	16.8	16%	0.161	8%	0.077	C	C	.	.	G	3₁₀ helix	trans	-57.4	-33.8	174.8	-57.9	0	0	0	0	111.5	S64 L65	S64-S67 WeakPolarHBondContact CA-OG 3.15Å; S64-S67 WeakPolarHBondContact O-CB 3.27Å; S64-S67 PolarHBondContact O-N 3.18Å; S64-S67 PolarHBondContact O-OG 3.24Å; L65-S67 VanDerWaalsContact C-N 3.33Å
68	E	92.9	Very high	95	Very high	73 Å²	73	19.5 Å²	19.5	34%	0.341	9%	0.09	S	C	.	.	S	Bend	trans	-126.8	117	159.7	-57.9	-177.1	-176.7	0	0	108.2	A66 R70 F71 Q147	A66-E68 PolarHBondContact O-N 2.79Å; E68-R70 HydrophobicContact CB-CG 4.18Å; E68-R70 PolarHBondContact O-N 3.36Å; E68-R70 IonicContact OE2-CZ 3.08Å; E68-R70 IonicContact OE2-NE 3.33Å; E68-R70 PolarHBondContact OE2-NE 2.71Å; E68-R70 IonicContact OE2-NH2 2.75Å; E68-R70 PolarHBondContact OE2-NH2 3.03Å; E68-F71 HydrophobicContact CB-CD2 3.79Å; E68-F71 HydrophobicContact CB-CE2 3.86Å; E68-F71 HydrophobicContact CG-CE2 4.19Å; E68-F71 PolarHBondContact O-N 2.97Å; E68-F71 WeakPolarHBondContact OE2-CE2 3.02Å; E68-Q147 PolarHBondContact OE1-OE1 3.19Å
69	E	92.5	Very high	94.8	Very high	33 Å²	33	21.2 Å²	21.2	15%	0.154	10%	0.096	C	C	.	.	G	3₁₀ helix	trans	-55.4	-24.9	-172.6	-63.9	-161.1	95.5	0	0	114.1	F71 M72 F165 T166 L168 T169	E69-F71 PolarHBondContact O-N 2.97Å; E69-M72 VanDerWaalsContact O-CB 3.24Å; E69-M72 WeakPolarHBondContact O-CB 3.43Å; E69-M72 PolarHBondContact O-N 3.09Å; E69-F165 HydrophobicContact CG-CB 4.33Å; E69-T166 VanDerWaalsContact CD-N 3.3Å; E69-T166 VanDerWaalsContact CD-OG1 3.25Å; E69-T166 PolarHBondContact OE1-N 2.84Å; E69-T166 PolarHBondContact OE1-OG1 3.22Å; E69-T166 WeakPolarHBondContact OE2-CB 3.11Å; E69-T166 WeakPolarHBondContact OE2-CG2 3.25Å; E69-T166 PolarHBondContact OE2-N 3.37Å; E69-T166 PolarHBondContact OE2-OG1 3.19Å; E69-L168 HydrophobicContact CB-CD2 4.47Å; E69-T169 WeakPolarHBondContact CG-OG1 3.3Å; E69-T169 WeakPolarHBondContact OE1-CB 3.43Å; E69-T169 PolarHBondContact OE1-N 3.04Å; E69-T169 PolarHBondContact OE1-OG1 3.33Å
70	R	94.9	Very high	94.7	Very high	97 Å²	97	21.2 Å²	21.2	37%	0.366	10%	0.096	S	C	.	.	G	3₁₀ helix	trans	-57.9	-30.3	177.3	67.3	178.7	176.9	141.6	1	113.2	E68 M72 L73 L140 D143	E68-R70 HydrophobicContact CB-CG 4.18Å; E68-R70 PolarHBondContact O-N 3.36Å; E68-R70 IonicContact OE2-CZ 3.08Å; E68-R70 IonicContact OE2-NE 3.33Å; E68-R70 PolarHBondContact OE2-NE 2.71Å; E68-R70 IonicContact OE2-NH2 2.75Å; E68-R70 PolarHBondContact OE2-NH2 3.03Å; R70-M72 VanDerWaalsContact C-N 3.28Å; R70-M72 PolarHBondContact O-N 2.02Å; R70-L73 VanDerWaalsContact O-CB 3.23Å; R70-L73 WeakPolarHBondContact O-CB 3.35Å; R70-L73 WeakPolarHBondContact O-CG 3.42Å; R70-L73 PolarHBondContact O-N 3.5Å; R70-L140 HydrophobicContact CB-CD2 4.32Å; R70-L140 HydrophobicContact CG-CD2 4.26Å; R70-L140 WeakPolarHBondContact O-CD2 3.03Å; R70-D143 IonicContact CZ-OD2 2.8Å; R70-D143 IonicContact NH1-OD2 2.95Å; R70-D143 PolarHBondContact NH1-OD2 2.92Å; R70-D143 IonicContact NH2-OD2 3.85Å
71	F	96.1	Very high	94.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-73	-22.2	178.6	-64.8	-63.8	0	0	0	112.6	L65 E68 E69 L73 L74 L140 D143 W144 Q147	L65-F71 HydrophobicContact CD1-CB 3.87Å; L65-F71 HydrophobicContact CG-CB 4.38Å; L65-F71 WeakPolarHBondContact O-CB 3.48Å; E68-F71 HydrophobicContact CB-CD2 3.79Å; E68-F71 HydrophobicContact CB-CE2 3.86Å; E68-F71 HydrophobicContact CG-CE2 4.19Å; E68-F71 PolarHBondContact O-N 2.97Å; E68-F71 WeakPolarHBondContact OE2-CE2 3.02Å; E69-F71 PolarHBondContact O-N 2.97Å; F71-L73 PolarHBondContact O-N 2.93Å; F71-L73 VanDerWaalsContact O-N 3.11Å; F71-L74 VanDerWaalsContact O-CB 3.29Å; F71-L74 WeakPolarHBondContact O-CB 3.13Å; F71-L74 WeakPolarHBondContact O-CG 3.44Å; F71-L74 PolarHBondContact O-N 3.32Å; F71-L140 HydrophobicContact CD1-CD2 4.15Å; F71-L140 HydrophobicContact CE1-CD2 4.46Å; F71-D143 HydrophobicContact CE1-CB 3.93Å; F71-D143 HydrophobicContact CZ-CB 4.07Å; F71-W144 HydrophobicContact CB-CE3 4.06Å; F71-W144 HydrophobicContact CB-CZ3 4.15Å; F71-W144 HydrophobicContact CD1-CB 4.1Å; F71-W144 HydrophobicContact CD1-CD2 4.41Å; F71-W144 AromaticContact CD1-CE3 3.65Å; F71-W144 HydrophobicContact CD1-CE3 3.65Å; F71-W144 HydrophobicContact CD1-CZ3 4.48Å; F71-W144 AromaticContact CD2-CE3 3.8Å; F71-W144 HydrophobicContact CD2-CE3 3.8Å; F71-W144 AromaticContact CD2-CZ3 3.94Å; F71-W144 HydrophobicContact CD2-CZ3 3.94Å; F71-W144 HydrophobicContact CE1-CB 3.85Å; F71-W144 AromaticContact CE1-CE3 3.98Å; F71-W144 HydrophobicContact CE1-CE3 3.98Å; F71-W144 HydrophobicContact CE2-CE3 4.12Å; F71-W144 HydrophobicContact CE2-CZ3 4.49Å; F71-W144 AromaticContact CG-CE3 3.56Å; F71-W144 HydrophobicContact CG-CE3 3.56Å; F71-W144 AromaticContact CG-CZ3 3.95Å; F71-W144 HydrophobicContact CG-CZ3 3.95Å; F71-W144 HydrophobicContact CZ-CE3 4.2Å; F71-Q147 HydrophobicContact CD2-CG 4.26Å; F71-Q147 HydrophobicContact CE2-CB 3.75Å; F71-Q147 HydrophobicContact CE2-CG 3.63Å; F71-Q147 HydrophobicContact CZ-CB 3.78Å; F71-Q147 HydrophobicContact CZ-CG 4.2Å
72	M	95.9	Very high	94.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.105	C	C	.	.	G	3₁₀ helix	trans	-60.6	-22	171.6	-60.4	-57.8	-65.2	0	0	112.1	L65 A66 E69 R70 L74 L75 F94 T169 L172 L173	L65-M72 HydrophobicContact CB-SD 3.95Å; L65-M72 HydrophobicContact CD2-SD 3.81Å; L65-M72 HydrophobicContact CG-SD 3.71Å; A66-M72 HydrophobicContact CB-CG 4.12Å; A66-M72 HydrophobicContact CB-SD 3.84Å; E69-M72 VanDerWaalsContact O-CB 3.24Å; E69-M72 WeakPolarHBondContact O-CB 3.43Å; E69-M72 PolarHBondContact O-N 3.09Å; R70-M72 VanDerWaalsContact C-N 3.28Å; R70-M72 PolarHBondContact O-N 2.02Å; M72-L74 PolarHBondContact O-N 3.22Å; M72-L75 HydrophobicContact CE-CD1 3.62Å; M72-L75 WeakPolarHBondContact O-CB 3.46Å; M72-L75 WeakPolarHBondContact O-CG 3.49Å; M72-L75 PolarHBondContact O-N 2.95Å; M72-L75 VanDerWaalsContact O-N 3.1Å; M72-F94 HydrophobicContact CE-CE2 4.1Å; M72-F94 HydrophobicContact SD-CE2 4.41Å; M72-T169 HydrophobicContact CE-CG2 4.11Å; M72-T169 HydrophobicContact CG-CG2 4.21Å; M72-L172 HydrophobicContact CB-CB 4.44Å; M72-L172 HydrophobicContact CB-CD1 3.64Å; M72-L173 HydrophobicContact CE-CD1 3.94Å; M72-L173 HydrophobicContact CE-CD2 3.66Å; M72-L173 HydrophobicContact CE-CG 3.51Å
73	L	95.3	Very high	94.8	Very high	33 Å²	33	22.1 Å²	22.1	17%	0.173	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-61.9	-22.6	174.1	-65.9	170.8	0	0	0	112.8	R70 F71 L75 R76 L132 L136 L140 L172	R70-L73 VanDerWaalsContact O-CB 3.23Å; R70-L73 WeakPolarHBondContact O-CB 3.35Å; R70-L73 WeakPolarHBondContact O-CG 3.42Å; R70-L73 PolarHBondContact O-N 3.5Å; F71-L73 PolarHBondContact O-N 2.93Å; F71-L73 VanDerWaalsContact O-N 3.11Å; L73-L75 PolarHBondContact O-N 3.12Å; L73-R76 WeakPolarHBondContact O-CB 3.39Å; L73-R76 PolarHBondContact O-N 3.14Å; L73-L132 HydrophobicContact CB-CD1 4.07Å; L73-L136 HydrophobicContact CD1-CD2 4.41Å; L73-L140 HydrophobicContact CB-CD1 3.85Å; L73-L172 HydrophobicContact CD2-CD1 3.99Å; L73-L172 HydrophobicContact CD2-CD2 4.34Å; L73-L172 HydrophobicContact CG-CD1 4.44Å
74	L	95.3	Very high	95	Very high	4 Å²	4	22.1 Å²	22.1	2%	0.021	10%	0.1	C	C	.	.	G	3₁₀ helix	trans	-58	-27.9	173.9	-71.1	171	0	0	0	112	F71 M72 R76 S77 I80 L132 E137 L140 K141	F71-L74 VanDerWaalsContact O-CB 3.29Å; F71-L74 WeakPolarHBondContact O-CB 3.13Å; F71-L74 WeakPolarHBondContact O-CG 3.44Å; F71-L74 PolarHBondContact O-N 3.32Å; M72-L74 PolarHBondContact O-N 3.22Å; L74-R76 PolarHBondContact O-N 2.99Å; L74-R76 VanDerWaalsContact O-N 3.08Å; L74-S77 WeakPolarHBondContact O-CB 3.41Å; L74-S77 PolarHBondContact O-N 3.33Å; L74-I80 HydrophobicContact CB-CD1 4.26Å; L74-I80 VanDerWaalsContact O-CD1 3.29Å; L74-I80 WeakPolarHBondContact O-CD1 3.39Å; L74-L132 HydrophobicContact CD2-CD2 4.45Å; L74-E137 HydrophobicContact CD2-CG 4.27Å; L74-L140 HydrophobicContact CD2-CB 3.79Å; L74-L140 HydrophobicContact CD2-CD1 4.28Å; L74-L140 HydrophobicContact CG-CB 4.17Å; L74-L140 HydrophobicContact CG-CD1 4.37Å; L74-K141 HydrophobicContact CD2-CG 4.5Å
75	L	94.7	Very high	95.2	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	12%	0.115	C	C	.	.	G	3₁₀ helix	trans	-66.3	-9.1	175.1	-55	-176.3	0	0	0	113.6	I61 L65 M72 L73 R81 L173 F176	I61-L75 HydrophobicContact CD1-CD1 4.02Å; I61-L75 HydrophobicContact CD1-CD2 3.7Å; L65-L75 HydrophobicContact CD2-CD2 4.26Å; L65-L75 HydrophobicContact CD2-CG 4.47Å; M72-L75 HydrophobicContact CE-CD1 3.62Å; M72-L75 WeakPolarHBondContact O-CB 3.46Å; M72-L75 WeakPolarHBondContact O-CG 3.49Å; M72-L75 PolarHBondContact O-N 2.95Å; M72-L75 VanDerWaalsContact O-N 3.1Å; L73-L75 PolarHBondContact O-N 3.12Å; L75-R81 PolarHBondContact O-NE 2.89Å; L75-L173 HydrophobicContact CD1-CD2 3.92Å; L75-L173 HydrophobicContact CD1-CG 4.47Å; L75-F176 HydrophobicContact CB-CB 3.97Å; L75-F176 HydrophobicContact CB-CD2 3.94Å; L75-F176 HydrophobicContact CB-CG 3.94Å; L75-F176 HydrophobicContact CD1-CB 4.3Å; L75-F176 HydrophobicContact CD1-CD1 4.43Å; L75-F176 HydrophobicContact CD1-CG 4.36Å; L75-F176 HydrophobicContact CD2-CD1 4.39Å; L75-F176 HydrophobicContact CD2-CD2 4.48Å; L75-F176 HydrophobicContact CD2-CE1 4.42Å; L75-F176 HydrophobicContact CD2-CE2 4.5Å; L75-F176 HydrophobicContact CD2-CG 4.41Å; L75-F176 HydrophobicContact CD2-CZ 4.45Å; L75-F176 HydrophobicContact CG-CG 4.47Å; L75-F176 VanDerWaalsContact O-CD2 3.27Å; L75-F176 WeakPolarHBondContact O-CD2 3.13Å
76	R	94	Very high	95.4	Very high	61 Å²	61	25 Å²	25	23%	0.23	12%	0.118	C	C	.	.	G	3₁₀ helix	trans	-86	-5.8	168.1	-70	-178.1	149.1	-179.6	-8.3	113.6	L73 L74 Q78 L132 L172	L73-R76 WeakPolarHBondContact O-CB 3.39Å; L73-R76 PolarHBondContact O-N 3.14Å; L74-R76 PolarHBondContact O-N 2.99Å; L74-R76 VanDerWaalsContact O-N 3.08Å; R76-Q78 PolarHBondContact O-N 3.02Å; R76-L132 HydrophobicContact CB-CB 3.99Å; R76-L172 HydrophobicContact CG-CD2 3.88Å
77	S	95	Very high	95.6	Very high	1 Å²	1	25.1 Å²	25.1	1%	0.007	12%	0.118	C	C	.	.			trans	-59.4	131.1	175.6	-178.3	0	0	0	0	110.2	L74 R79 R81 E137 L399	L74-S77 WeakPolarHBondContact O-CB 3.41Å; L74-S77 PolarHBondContact O-N 3.33Å; S77-R79 PolarHBondContact O-N 2.85Å; S77-R79 PolarHBondContact OG-N 3.4Å; S77-R81 WeakPolarHBondContact O-CG 3.24Å; S77-R81 PolarHBondContact O-N 3.34Å; S77-R81 VanDerWaalsContact O-N 3.13Å; S77-E137 WeakPolarHBondContact CB-OE2 3.27Å; S77-E137 PolarHBondContact OG-OE2 3.39Å; S77-L399 WeakPolarHBondContact OG-CD1 3.49Å
78	Q	94.6	Very high	95.8	Very high	57 Å²	57	26 Å²	26	27%	0.266	12%	0.124	S	C	.	.	H	α-helix	trans	-61.1	-38.6	176	179.8	60.9	64.2	0	0	110.6	R76 R81 T82 D512 K513	R76-Q78 PolarHBondContact O-N 3.02Å; Q78-R81 PolarHBondContact O-N 2.87Å; Q78-T82 PolarHBondContact NE2-OG1 3.01Å; Q78-T82 PolarHBondContact O-N 3.31Å; Q78-T82 PolarHBondContact O-OG1 2.93Å; Q78-D512 CarbonylContact C-O 3.55Å; Q78-D512 HydrophobicContact CB-CB 4.45Å; Q78-D512 HydrophobicContact CG-CB 4.3Å; Q78-K513 HydrophobicContact CG-CD 4.49Å; Q78-K513 HydrophobicContact CG-CG 3.54Å
79	R	95.8	Very high	96	Very high	36 Å²	36	25.7 Å²	25.7	14%	0.136	13%	0.129	C	C	.	.	H	α-helix	trans	-63.2	-50.8	-178.5	-163.6	175.6	-176.5	95.1	1.1	111.6	S77 R81 T82 L83 L399 D400 M509 D512	S77-R79 PolarHBondContact O-N 2.85Å; S77-R79 PolarHBondContact OG-N 3.4Å; R79-R81 VanDerWaalsContact C-N 3.31Å; R79-R81 PolarHBondContact O-N 2.96Å; R79-T82 PolarHBondContact O-N 2.91Å; R79-L83 HydrophobicContact CG-CD1 4.21Å; R79-L83 VanDerWaalsContact O-CG 3.29Å; R79-L83 WeakPolarHBondContact O-CG 3.31Å; R79-L83 PolarHBondContact O-N 2.66Å; R79-L399 WeakPolarHBondContact CD-O 3.37Å; R79-L399 PolarHBondContact NE-O 3.39Å; R79-D400 IonicContact CZ-OD1 3.92Å; R79-D400 VanDerWaalsContact CZ-OD1 3.25Å; R79-D400 IonicContact NE-OD1 2.68Å; R79-D400 PolarHBondContact NE-OD1 3.02Å; R79-D400 IonicContact NH2-OD1 3.66Å; R79-D400 PolarHBondContact NH2-OD1 3.34Å; R79-M509 HydrophobicContact CG-CE 4.2Å; R79-M509 HydrophobicContact CG-SD 3.59Å; R79-M509 VanDerWaalsContact CG-SD 3.59Å; R79-D512 WeakPolarHBondContact CA-O 3.1Å; R79-D512 HydrophobicContact CB-CB 4.15Å; R79-D512 WeakPolarHBondContact CD-OD1 3.42Å; R79-D512 IonicContact CZ-OD1 3.64Å; R79-D512 IonicContact NH1-OD1 2.87Å; R79-D512 PolarHBondContact NH1-OD1 2.99Å
80	I	96.3	Very high	96.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-60.6	-42.1	177.2	-56.6	178.9	0	0	0	110.7	L74 L83 A84 F176 V387 I395 L399	L74-I80 HydrophobicContact CB-CD1 4.26Å; L74-I80 VanDerWaalsContact O-CD1 3.29Å; L74-I80 WeakPolarHBondContact O-CD1 3.39Å; I80-L83 PolarHBondContact O-N 2.73Å; I80-A84 WeakPolarHBondContact O-CB 3.5Å; I80-A84 PolarHBondContact O-N 3.25Å; I80-F176 HydrophobicContact CG2-CE2 3.72Å; I80-F176 HydrophobicContact CG2-CZ 3.84Å; I80-V387 HydrophobicContact CD1-CG2 4.13Å; I80-V387 HydrophobicContact CG1-CG2 4.45Å; I80-V387 HydrophobicContact CG2-CG2 4.02Å; I80-I395 HydrophobicContact CG2-CD1 4.42Å; I80-L399 HydrophobicContact CD1-CD1 4.04Å; I80-L399 HydrophobicContact CD1-CD2 3.56Å; I80-L399 HydrophobicContact CD1-CG 4.38Å; I80-L399 HydrophobicContact CG1-CB 4.5Å; I80-L399 HydrophobicContact CG1-CD1 4.01Å; I80-L399 HydrophobicContact CG1-CD2 3.87Å; I80-L399 HydrophobicContact CG1-CG 4.34Å
81	R	96.1	Very high	96.5	Very high	21 Å²	21	19.7 Å²	19.7	8%	0.079	11%	0.105	C	C	.	.	H	α-helix	trans	-63.8	-43.1	178.5	-73.1	172.9	175.8	-161	-9.1	112.5	L75 S77 Q78 R79 L83 A84 T85 C127 F176	L75-R81 PolarHBondContact O-NE 2.89Å; S77-R81 WeakPolarHBondContact O-CG 3.24Å; S77-R81 PolarHBondContact O-N 3.34Å; S77-R81 VanDerWaalsContact O-N 3.13Å; Q78-R81 PolarHBondContact O-N 2.87Å; R79-R81 VanDerWaalsContact C-N 3.31Å; R79-R81 PolarHBondContact O-N 2.96Å; R81-L83 VanDerWaalsContact C-N 3.33Å; R81-L83 PolarHBondContact O-N 3.29Å; R81-A84 PolarHBondContact O-N 3.35Å; R81-T85 VanDerWaalsContact O-CB 3.26Å; R81-T85 WeakPolarHBondContact O-CB 3.16Å; R81-T85 PolarHBondContact O-N 2.84Å; R81-T85 PolarHBondContact O-OG1 3.05Å; R81-C127 PolarHBondContact NH1-O 3.09Å; R81-F176 HydrophobicContact CG-CD2 3.95Å; R81-F176 HydrophobicContact CG-CE2 4.02Å
82	T	97.3	Very high	96.6	Very high	17 Å²	17	19.7 Å²	19.7	10%	0.104	11%	0.105	C	C	.	.	H	α-helix	trans	-58.4	-47.8	174.8	-58.9	0	0	0	0	110.6	Q78 R79 A86 M509 D512 K513 L515	Q78-T82 PolarHBondContact NE2-OG1 3.01Å; Q78-T82 PolarHBondContact O-N 3.31Å; Q78-T82 PolarHBondContact O-OG1 2.93Å; R79-T82 PolarHBondContact O-N 2.91Å; T82-A86 PolarHBondContact O-N 3.29Å; T82-M509 HydrophobicContact CG2-CE 3.7Å; T82-D512 WeakPolarHBondContact CB-O 2.94Å; T82-D512 PolarHBondContact OG1-O 3.47Å; T82-K513 VanDerWaalsContact CG2-C 3.49Å; T82-K513 WeakPolarHBondContact CG2-O 3.43Å; T82-K513 WeakPolarHBondContact OG1-CA 3.33Å; T82-L515 HydrophobicContact CG2-CG 4.38Å
83	L	98.5	Very high	96.8	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-64.6	-46.9	-179.6	-67.7	166.1	0	0	0	111.7	R79 I80 R81 A86 I395 P401 Y405 M509 L515	R79-L83 HydrophobicContact CG-CD1 4.21Å; R79-L83 VanDerWaalsContact O-CG 3.29Å; R79-L83 WeakPolarHBondContact O-CG 3.31Å; R79-L83 PolarHBondContact O-N 2.66Å; I80-L83 PolarHBondContact O-N 2.73Å; R81-L83 VanDerWaalsContact C-N 3.33Å; R81-L83 PolarHBondContact O-N 3.29Å; L83-A86 PolarHBondContact O-N 2.96Å; L83-I395 HydrophobicContact CB-CD1 3.73Å; L83-I395 HydrophobicContact CD1-CD1 3.6Å; L83-I395 HydrophobicContact CD1-CG1 3.93Å; L83-I395 HydrophobicContact CD1-CG2 4.26Å; L83-I395 HydrophobicContact CG-CD1 4.29Å; L83-P401 HydrophobicContact CD2-CB 3.94Å; L83-P401 HydrophobicContact CD2-CG 4Å; L83-Y405 WeakPolarHBondContact CA-OH 3.25Å; L83-Y405 HydrophobicContact CB-CE2 3.7Å; L83-Y405 HydrophobicContact CD2-CD1 4.1Å; L83-Y405 HydrophobicContact CD2-CD2 4.45Å; L83-Y405 HydrophobicContact CD2-CE1 3.39Å; L83-Y405 HydrophobicContact CD2-CE2 3.8Å; L83-Y405 WeakPolarHBondContact CD2-OH 2.96Å; L83-Y405 HydrophobicContact CG-CE2 4.34Å; L83-Y405 PolarHBondContact O-OH 2.64Å; L83-M509 HydrophobicContact CD1-SD 3.87Å; L83-M509 HydrophobicContact CD2-CE 3.99Å; L83-M509 HydrophobicContact CD2-CG 4.14Å; L83-M509 HydrophobicContact CD2-SD 3.61Å; L83-M509 HydrophobicContact CG-CE 3.99Å; L83-M509 HydrophobicContact CG-SD 3.77Å; L83-L515 HydrophobicContact CD2-CD2 3.96Å
84	A	98.3	Very high	96.9	Very high	0 Å²	0	18.3 Å²	18.3	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66	-41.8	-179.9	0	0	0	0	0	112.9	I80 R81 A86 L87 F176 C180 L182 L386	I80-A84 WeakPolarHBondContact O-CB 3.5Å; I80-A84 PolarHBondContact O-N 3.25Å; R81-A84 PolarHBondContact O-N 3.35Å; A84-A86 PolarHBondContact O-N 3.41Å; A84-L87 PolarHBondContact O-N 2.95Å; A84-L87 VanDerWaalsContact O-N 3.08Å; A84-F176 HydrophobicContact CB-CE1 4.32Å; A84-F176 HydrophobicContact CB-CE2 4.01Å; A84-F176 HydrophobicContact CB-CZ 3.47Å; A84-F176 VanDerWaalsContact CB-CZ 3.47Å; A84-C180 HydrophobicContact CB-CB 4.02Å; A84-L182 HydrophobicContact CB-CD1 4.18Å; A84-L386 HydrophobicContact CB-CD2 3.97Å
85	T	97.5	Very high	97	Very high	62 Å²	62	18.1 Å²	18.1	38%	0.38	10%	0.097	S	C	.	.	H	α-helix	trans	-58.3	-36.8	176.8	-58.7	0	0	0	0	111.2	R81 L87 S88 C180	R81-T85 VanDerWaalsContact O-CB 3.26Å; R81-T85 WeakPolarHBondContact O-CB 3.16Å; R81-T85 PolarHBondContact O-N 2.84Å; R81-T85 PolarHBondContact O-OG1 3.05Å; T85-L87 PolarHBondContact O-N 3.01Å; T85-S88 WeakPolarHBondContact O-CB 3.35Å; T85-S88 PolarHBondContact O-N 2.82Å; T85-S88 VanDerWaalsContact O-N 3.09Å; T85-C180 WeakPolarHBondContact OG1-CA 3.36Å
86	A	97.1	Very high	97	Very high	7 Å²	7	18.1 Å²	18.1	6%	0.058	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-14.4	-178.5	0	0	0	0	0	114.3	T82 L83 A84 L409 L515	T82-A86 PolarHBondContact O-N 3.29Å; L83-A86 PolarHBondContact O-N 2.96Å; A84-A86 PolarHBondContact O-N 3.41Å; A86-L409 HydrophobicContact CB-CD1 3.74Å; A86-L409 VanDerWaalsContact O-CD1 3.31Å; A86-L409 WeakPolarHBondContact O-CD1 3.39Å; A86-L515 HydrophobicContact CB-CD1 3.29Å
87	L	97.9	Very high	97	Very high	1 Å²	1	16.7 Å²	16.7	1%	0.005	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-3.7	173.2	-58.8	179.3	0	0	0	112.9	V59 A84 T85 A90 L386 M394 Y405 L409 K412	V59-L87 HydrophobicContact CG1-CD1 4.02Å; A84-L87 PolarHBondContact O-N 2.95Å; A84-L87 VanDerWaalsContact O-N 3.08Å; T85-L87 PolarHBondContact O-N 3.01Å; L87-A90 WeakPolarHBondContact O-CB 3.33Å; L87-L386 HydrophobicContact CD1-CD1 3.95Å; L87-M394 HydrophobicContact CD1-CE 3.97Å; L87-Y405 HydrophobicContact CD1-CD2 4.32Å; L87-Y405 HydrophobicContact CD1-CE2 4.04Å; L87-Y405 HydrophobicContact CD2-CE2 4.23Å; L87-Y405 HydrophobicContact CG-CE2 4.1Å; L87-L409 HydrophobicContact CD2-CB 4.4Å; L87-K412 HydrophobicContact CD2-CG 4.44Å; L87-K412 WeakPolarHBondContact O-CE 3.48Å
88	S	96.6	Very high	96.9	Very high	41 Å²	41	17.2 Å²	17.2	29%	0.287	10%	0.097	S	C	.	.			trans	-65.1	144.1	175.4	-175	0	0	0	0	111.8	T85 S181	T85-S88 WeakPolarHBondContact O-CB 3.35Å; T85-S88 PolarHBondContact O-N 2.82Å; T85-S88 VanDerWaalsContact O-N 3.09Å; S88-S181 WeakPolarHBondContact OG-CB 3.38Å; S88-S181 PolarHBondContact OG-O 3.44Å
89	P	96.9	Very high	97	Very high	67 Å²	67	14.7 Å²	14.7	44%	0.435	9%	0.086	S	C	.	.	S	Bend	cis	-78.3	136.2	-3.3	32.3	-34.6	0	0	0	111.6	R55 K412	R55-P89 HydrophobicContact CG-CB 4.07Å; P89-K412 PolarHBondContact O-NZ 3.1Å
90	A	98.6	Very high	97.1	Very high	1 Å²	1	13.2 Å²	13.2	1%	0.008	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.4	154.8	175.8	0	0	0	0	0	110.7	L87 L182 D183	L87-A90 WeakPolarHBondContact O-CB 3.33Å; A90-L182 HydrophobicContact CB-CD2 3.83Å; A90-L182 CarbonylContact O-C 3.57Å; A90-L182 VanDerWaalsContact O-CA 3.31Å; A90-L182 WeakPolarHBondContact O-CA 3.27Å; A90-D183 PolarHBondContact O-N 3.38Å
91	F	98.9	Very high	97.1	Very high	4 Å²	4	14.3 Å²	14.3	2%	0.018	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	146.4	160.7	-66.8	-77.4	0	0	0	110	R55 S58 V59 D183 I185 W341 V380 M382	R55-F91 HydrophobicContact CB-CD2 3.73Å; R55-F91 HydrophobicContact CB-CE2 3.9Å; R55-F91 HydrophobicContact CG-CD2 4.47Å; R55-F91 HydrophobicContact CG-CE2 4.49Å; R55-F91 VanDerWaalsContact NH2-CZ 3.31Å; S58-F91 WeakPolarHBondContact CB-O 3.41Å; S58-F91 WeakPolarHBondContact OG-CB 3.32Å; S58-F91 PolarHBondContact OG-N 2.85Å; V59-F91 PolarHBondContact N-O 2.89Å; V59-F91 VanDerWaalsContact N-O 3.07Å; F91-D183 CarbonylContact C-O 3.55Å; F91-D183 VanDerWaalsContact CA-O 3.31Å; F91-D183 WeakPolarHBondContact CA-O 3.48Å; F91-D183 HydrophobicContact CD1-CB 3.6Å; F91-D183 HydrophobicContact CE1-CB 3.97Å; F91-D183 HydrophobicContact CG-CB 4.46Å; F91-I185 HydrophobicContact CB-CD1 3.97Å; F91-I185 HydrophobicContact CB-CG1 4.49Å; F91-I185 HydrophobicContact CD1-CD1 3.61Å; F91-I185 HydrophobicContact CD1-CG1 3.86Å; F91-I185 HydrophobicContact CE1-CD1 4.22Å; F91-I185 HydrophobicContact CE1-CG1 4.5Å; F91-I185 HydrophobicContact CG-CD1 3.89Å; F91-I185 HydrophobicContact CG-CG1 4.49Å; F91-W341 HydrophobicContact CD2-CH2 4.46Å; F91-W341 HydrophobicContact CD2-CZ3 4.46Å; F91-W341 HydrophobicContact CE1-CH2 4.25Å; F91-W341 AromaticContact CE2-CH2 3.6Å; F91-W341 HydrophobicContact CE2-CH2 3.6Å; F91-W341 HydrophobicContact CE2-CZ2 4.2Å; F91-W341 HydrophobicContact CE2-CZ3 4.02Å; F91-W341 AromaticContact CZ-CH2 3.44Å; F91-W341 HydrophobicContact CZ-CH2 3.44Å; F91-W341 VanDerWaalsContact CZ-CH2 3.44Å; F91-W341 HydrophobicContact CZ-CZ2 4.27Å; F91-W341 HydrophobicContact CZ-CZ3 4.04Å; F91-V380 HydrophobicContact CD2-CG1 3.95Å; F91-V380 HydrophobicContact CD2-CG2 4.22Å; F91-V380 HydrophobicContact CE2-CG1 4.42Å; F91-V380 HydrophobicContact CE2-CG2 3.88Å; F91-M382 HydrophobicContact CB-CE 4.12Å; F91-M382 HydrophobicContact CD2-CE 4.3Å; F91-M382 HydrophobicContact CG-CE 4.29Å
92	L	98.8	Very high	97.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	103.8	167.7	-178.9	69.5	0	0	0	108.1	V59 I61 F176 L182 D183 L184 I185	V59-L92 HydrophobicContact CG2-CD1 3.79Å; V59-L92 WeakPolarHBondContact O-CA 3.4Å; I61-L92 HydrophobicContact CD1-CD1 3.84Å; I61-L92 HydrophobicContact CD1-CD2 3.97Å; I61-L92 HydrophobicContact CD1-CG 4.27Å; I61-L92 HydrophobicContact CG1-CD1 3.85Å; L92-F176 HydrophobicContact CD1-CE1 4.32Å; L92-F176 HydrophobicContact CD2-CD1 3.51Å; L92-F176 HydrophobicContact CD2-CE1 3.65Å; L92-L182 HydrophobicContact CB-CB 3.97Å; L92-L182 HydrophobicContact CB-CD1 4.17Å; L92-L182 HydrophobicContact CD1-CD1 4.34Å; L92-L182 HydrophobicContact CD2-CD1 4.34Å; L92-D183 PolarHBondContact N-O 2.69Å; L92-L184 HydrophobicContact CD2-CD1 4.32Å; L92-L184 HydrophobicContact CG-CD1 4.5Å; L92-L184 WeakPolarHBondContact O-CA 3.25Å; L92-L184 WeakPolarHBondContact O-CD1 3.26Å; L92-I185 PolarHBondContact O-N 3.08Å
93	R	98.8	Very high	97.2	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	118	178.7	-177	-128.5	-173.5	-160.9	1.6	111	V59 T60 I61 I185 E221 N224 D268 G343 E344 M382	V59-R93 PolarHBondContact O-N 2.89Å; T60-R93 CarbonylContact C-O 3.56Å; T60-R93 WeakPolarHBondContact CA-O 3.43Å; T60-R93 WeakPolarHBondContact CB-O 3.31Å; T60-R93 HydrophobicContact CG2-CB 4.17Å; I61-R93 PolarHBondContact N-O 2.85Å; R93-I185 WeakPolarHBondContact CA-O 3.46Å; R93-I185 HydrophobicContact CB-CB 4.35Å; R93-I185 HydrophobicContact CG-CB 4.38Å; R93-I185 HydrophobicContact CG-CG2 4.48Å; R93-E221 IonicContact CZ-OE2 3.56Å; R93-E221 IonicContact NE-OE1 3.88Å; R93-E221 IonicContact NE-OE2 3.12Å; R93-E221 PolarHBondContact NE-OE2 3.2Å; R93-E221 IonicContact NH2-OE2 3.49Å; R93-E221 PolarHBondContact NH2-OE2 3.07Å; R93-N224 PolarHBondContact NH1-OD1 3.3Å; R93-N224 PolarHBondContact NH2-OD1 2.77Å; R93-D268 IonicContact NH2-OD1 2.96Å; R93-G343 WeakPolarHBondContact CD-O 3.42Å; R93-E344 IonicContact CZ-OE2 2.86Å; R93-E344 IonicContact NH1-OE2 3.81Å; R93-E344 PolarHBondContact NH1-OE2 2.77Å; R93-M382 HydrophobicContact CB-SD 3.65Å; R93-M382 HydrophobicContact CG-SD 4.15Å
94	F	98.6	Very high	97.2	Very high	3 Å²	3	14.6 Å²	14.6	1%	0.013	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	103.1	169.4	-178.4	-103.7	0	0	0	109.3	I61 A63 A66 M72 M102 T169 L173 L184 I185 F186 G187	I61-F94 HydrophobicContact CB-CD2 4.22Å; I61-F94 HydrophobicContact CG2-CD2 3.89Å; I61-F94 HydrophobicContact CG2-CE2 4.19Å; I61-F94 WeakPolarHBondContact O-CA 3.26Å; A63-F94 HydrophobicContact CB-CE1 4.36Å; A63-F94 HydrophobicContact CB-CE2 4.49Å; A63-F94 HydrophobicContact CB-CZ 4.14Å; A66-F94 HydrophobicContact CB-CE2 4.4Å; A66-F94 HydrophobicContact CB-CZ 3.77Å; M72-F94 HydrophobicContact CE-CE2 4.1Å; M72-F94 HydrophobicContact SD-CE2 4.41Å; F94-M102 HydrophobicContact CE1-CE 4.05Å; F94-M102 HydrophobicContact CE1-SD 4.34Å; F94-M102 HydrophobicContact CZ-CE 4Å; F94-M102 HydrophobicContact CZ-SD 4.34Å; F94-T169 HydrophobicContact CZ-CG2 4.44Å; F94-L173 HydrophobicContact CB-CD1 4.13Å; F94-L173 HydrophobicContact CB-CD2 4.18Å; F94-L173 HydrophobicContact CD1-CD1 3.68Å; F94-L173 HydrophobicContact CD2-CD1 3.74Å; F94-L173 HydrophobicContact CD2-CD2 3.72Å; F94-L173 HydrophobicContact CD2-CG 4.36Å; F94-L173 HydrophobicContact CE1-CD1 3.95Å; F94-L173 HydrophobicContact CE2-CD1 4Å; F94-L173 HydrophobicContact CE2-CD2 4.35Å; F94-L173 HydrophobicContact CG-CD1 3.56Å; F94-L173 HydrophobicContact CG-CD2 4.05Å; F94-L173 HydrophobicContact CG-CG 4.48Å; F94-L173 HydrophobicContact CZ-CD1 4.09Å; F94-L184 HydrophobicContact CB-CD1 4.37Å; F94-I185 PolarHBondContact N-O 3.45Å; F94-F186 AromaticContact CD1-CD2 3.81Å; F94-F186 HydrophobicContact CD1-CD2 3.81Å; F94-F186 HydrophobicContact CD1-CE1 4.46Å; F94-F186 AromaticContact CD1-CE2 3.48Å; F94-F186 HydrophobicContact CD1-CE2 3.48Å; F94-F186 VanDerWaalsContact CD1-CE2 3.48Å; F94-F186 HydrophobicContact CD1-CG 4.43Å; F94-F186 AromaticContact CD1-CZ 3.84Å; F94-F186 HydrophobicContact CD1-CZ 3.84Å; F94-F186 AromaticContact CE1-CE2 3.78Å; F94-F186 HydrophobicContact CE1-CE2 3.78Å; F94-F186 AromaticContact CE1-CZ 3.85Å; F94-F186 HydrophobicContact CE1-CZ 3.85Å; F94-F186 HydrophobicContact CG-CE2 4.47Å; F94-G187 PolarHBondContact O-N 3.18Å
95	G	97.1	Very high	97.1	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	-164.1	-171.7	0	0	0	0	0	112.3	I61 D62 A63	I61-G95 PolarHBondContact O-N 3.15Å; D62-G95 CarbonylContact C-O 3.36Å; D62-G95 WeakPolarHBondContact CA-O 3.42Å; A63-G95 WeakPolarHBondContact CB-O 3.28Å; A63-G95 PolarHBondContact N-O 3.34Å
96	G	94.8	Very high	96.8	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.01	11%	0.105	C	C	.	.	S	Bend	trans	111.9	-178.4	-175.2	0	0	0	0	0	112.1	K98 Q99 N224	G96-K98 VanDerWaalsContact C-N 3.27Å; G96-K98 PolarHBondContact O-N 2.75Å; G96-K98 VanDerWaalsContact O-N 3.11Å; G96-Q99 WeakPolarHBondContact O-CB 3.49Å; G96-Q99 PolarHBondContact O-N 3.36Å; G96-N224 VanDerWaalsContact C-ND2 3.34Å; G96-N224 WeakPolarHBondContact CA-OD1 3.46Å; G96-N224 PolarHBondContact N-OD1 2.93Å; G96-N224 WeakPolarHBondContact O-CB 3.49Å
97	T	93.3	Very high	96.3	Very high	32 Å²	32	22.5 Å²	22.5	20%	0.196	13%	0.13	C	C	.	.	G	3₁₀ helix	trans	-57.6	-35.5	-168.6	-75.3	0	0	0	0	113.9	Q99 F101 Y160 N224 K232	T97-Q99 PolarHBondContact O-N 3.43Å; T97-F101 HydrophobicContact CG2-CE2 4.4Å; T97-F101 WeakPolarHBondContact O-CD2 3.45Å; T97-Y160 HydrophobicContact CG2-CD1 4.12Å; T97-Y160 HydrophobicContact CG2-CE1 3.55Å; T97-Y160 HydrophobicContact CG2-CE2 4.13Å; T97-N224 PolarHBondContact N-ND2 3.22Å; T97-K232 HydrophobicContact CG2-CD 3.75Å; T97-K232 PolarHBondContact OG1-NZ 3.13Å; T97-K232 VanDerWaalsContact OG1-NZ 3.11Å
98	K	93.8	Very high	94.6	Very high	11 Å²	11	34.2 Å²	34.2	5%	0.048	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-67.6	-21.4	179.9	-85	-75.1	-174.5	174.1	0	114	A63 G96 D100 F101 M102 E154 V163	A63-K98 HydrophobicContact CB-CB 4.05Å; G96-K98 VanDerWaalsContact C-N 3.27Å; G96-K98 PolarHBondContact O-N 2.75Å; G96-K98 VanDerWaalsContact O-N 3.11Å; K98-D100 PolarHBondContact O-N 3.07Å; K98-F101 PolarHBondContact O-N 3.06Å; K98-M102 WeakPolarHBondContact O-CG 3.46Å; K98-M102 PolarHBondContact O-N 3.42Å; K98-E154 WeakPolarHBondContact CE-OE2 3.38Å; K98-E154 IonicContact NZ-OE1 3.74Å; K98-E154 PolarHBondContact NZ-OE1 2.95Å; K98-E154 IonicContact NZ-OE2 3.95Å; K98-E154 PolarHBondContact NZ-OE2 3.01Å; K98-V163 HydrophobicContact CD-CG2 4.39Å
99	Q	95.9	Very high	92.3	Very high	5 Å²	5	36.9 Å²	36.9	2%	0.023	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-49.2	-44.2	179	-179.9	-174.4	-44.2	0	0	112.5	A63 G96 T97 F101 M102 G187 L188 N189 G223 N224	A63-Q99 HydrophobicContact CB-CB 4.26Å; G96-Q99 WeakPolarHBondContact O-CB 3.49Å; G96-Q99 PolarHBondContact O-N 3.36Å; T97-Q99 PolarHBondContact O-N 3.43Å; Q99-F101 PolarHBondContact O-N 2.81Å; Q99-M102 PolarHBondContact O-N 3.48Å; Q99-G187 VanDerWaalsContact CG-O 3.25Å; Q99-G187 WeakPolarHBondContact CG-O 3.47Å; Q99-G187 VanDerWaalsContact NE2-C 3.31Å; Q99-G187 VanDerWaalsContact NE2-CA 3.31Å; Q99-L188 PolarHBondContact NE2-O 2.93Å; Q99-N189 WeakPolarHBondContact O-CB 3.3Å; Q99-G223 PolarHBondContact NE2-O 3.3Å; Q99-N224 HydrophobicContact CB-CB 4.47Å
100	D	97.8	Very high	89.9	Confident	4 Å²	4	41.8 Å²	41.8	2%	0.021	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-79.1	2.7	-178	-69.4	-58.4	0	0	0	114.6	K98 N189 A190 L191 G223 N224 F229	K98-D100 PolarHBondContact O-N 3.07Å; D100-N189 VanDerWaalsContact C-CG 3.44Å; D100-N189 VanDerWaalsContact O-CG 3.23Å; D100-N189 PolarHBondContact O-ND2 3.25Å; D100-N189 PolarHBondContact O-OD1 2.62Å; D100-A190 PolarHBondContact OD1-N 3.12Å; D100-L191 HydrophobicContact CB-CB 4.36Å; D100-L191 HydrophobicContact CB-CD1 3.72Å; D100-L191 HydrophobicContact CB-CG 3.85Å; D100-G223 WeakPolarHBondContact OD1-CA 3.45Å; D100-N224 PolarHBondContact OD2-N 3.18Å; D100-F229 HydrophobicContact CB-CE1 4.3Å; D100-F229 VanDerWaalsContact OD2-CE1 3.22Å; D100-F229 WeakPolarHBondContact OD2-CE1 3.38Å
101	F	97.2	Very high	87	Confident	23 Å²	23	50.7 Å²	50.7	10%	0.101	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-116.6	3.5	173.4	-57.7	-85.9	0	0	0	111.6	T97 K98 Q99 Y160 P162 V163 L191 K232 A233	T97-F101 HydrophobicContact CG2-CE2 4.4Å; T97-F101 WeakPolarHBondContact O-CD2 3.45Å; K98-F101 PolarHBondContact O-N 3.06Å; Q99-F101 PolarHBondContact O-N 2.81Å; F101-Y160 HydrophobicContact CD2-CG 4.1Å; F101-Y160 HydrophobicContact CE1-CD2 4.46Å; F101-Y160 HydrophobicContact CE1-CG 4.39Å; F101-Y160 HydrophobicContact CE2-CD1 4.46Å; F101-Y160 AromaticContact CE2-CD2 3.88Å; F101-Y160 HydrophobicContact CE2-CD2 3.88Å; F101-Y160 AromaticContact CE2-CG 3.75Å; F101-Y160 HydrophobicContact CE2-CG 3.75Å; F101-Y160 AromaticContact CZ-CD2 3.76Å; F101-Y160 HydrophobicContact CZ-CD2 3.76Å; F101-Y160 AromaticContact CZ-CG 3.91Å; F101-Y160 HydrophobicContact CZ-CG 3.91Å; F101-P162 CarbonylContact O-C 3.54Å; F101-P162 WeakPolarHBondContact O-CA 3.36Å; F101-V163 PolarHBondContact O-N 2.88Å; F101-L191 HydrophobicContact CE1-CD1 4.09Å; F101-L191 HydrophobicContact CE2-CD1 4.41Å; F101-L191 HydrophobicContact CZ-CD1 3.93Å; F101-K232 HydrophobicContact CZ-CB 4.12Å; F101-A233 HydrophobicContact CE1-CB 4.1Å; F101-A233 HydrophobicContact CZ-CB 4.1Å
102	M	96.9	Very high	84.1	Confident	8 Å²	8	56.6 Å²	56.6	4%	0.039	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	138.5	-179.9	-72	175.9	74.1	0	0	112	A63 A66 F94 K98 Q99 V163 F165 N189	A63-M102 HydrophobicContact CB-SD 3.85Å; A66-M102 HydrophobicContact CB-CE 3.46Å; A66-M102 VanDerWaalsContact CB-CE 3.46Å; A66-M102 HydrophobicContact CB-SD 4.44Å; F94-M102 HydrophobicContact CE1-CE 4.05Å; F94-M102 HydrophobicContact CE1-SD 4.34Å; F94-M102 HydrophobicContact CZ-CE 4Å; F94-M102 HydrophobicContact CZ-SD 4.34Å; K98-M102 WeakPolarHBondContact O-CG 3.46Å; K98-M102 PolarHBondContact O-N 3.42Å; Q99-M102 PolarHBondContact O-N 3.48Å; M102-V163 CarbonylContact C-O 3.59Å; M102-V163 VanDerWaalsContact CA-O 3.27Å; M102-V163 WeakPolarHBondContact CA-O 3.48Å; M102-V163 HydrophobicContact CG-CB 4.02Å; M102-V163 HydrophobicContact CG-CG1 4.23Å; M102-F165 HydrophobicContact CB-CD1 3.96Å; M102-F165 HydrophobicContact CB-CE1 3.96Å; M102-F165 HydrophobicContact CE-CB 4.13Å; M102-F165 HydrophobicContact CE-CD1 3.61Å; M102-F165 HydrophobicContact CE-CE1 4.16Å; M102-F165 HydrophobicContact CE-CG 3.93Å; M102-N189 WeakPolarHBondContact O-CB 3.26Å; M102-N189 PolarHBondContact O-ND2 2.67Å
103	V	97.7	Very high	80.9	Confident	31 Å²	31	62 Å²	62	19%	0.188	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	122.5	178.8	-177.8	0	0	0	0	109.4	S105 V163 H164 F165 L192 N203	V103-S105 PolarHBondContact O-N 3.46Å; V103-V163 PolarHBondContact N-O 2.93Å; V103-H164 WeakPolarHBondContact O-CA 3.38Å; V103-F165 PolarHBondContact O-N 3.45Å; V103-F165 VanDerWaalsContact O-N 3.14Å; V103-L192 HydrophobicContact CG2-CD2 4.16Å; V103-N203 WeakPolarHBondContact CG1-ND2 3.5Å
104	F	97.8	Very high	78	Confident	6 Å²	6	67.7 Å²	67.7	3%	0.026	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	120.8	175.5	-179.9	-123.6	0	0	0	110.3	P106 F165 E167 V170 N203 L207 Y210	F104-P106 HydrophobicContact CD1-CG 4.48Å; F104-P106 HydrophobicContact CE1-CB 3.94Å; F104-P106 HydrophobicContact CE1-CG 4.04Å; F104-P106 HydrophobicContact CZ-CB 3.88Å; F104-P106 HydrophobicContact CZ-CG 4.46Å; F104-F165 WeakPolarHBondContact CA-O 3.36Å; F104-F165 HydrophobicContact CB-CE1 3.98Å; F104-F165 HydrophobicContact CB-CE2 3.99Å; F104-F165 HydrophobicContact CB-CZ 3.6Å; F104-F165 AromaticContact CD2-CD2 3.92Å; F104-F165 HydrophobicContact CD2-CD2 3.92Å; F104-F165 AromaticContact CD2-CE2 3.57Å; F104-F165 HydrophobicContact CD2-CE2 3.57Å; F104-F165 HydrophobicContact CD2-CZ 4.11Å; F104-F165 HydrophobicContact CE2-CE2 4.49Å; F104-F165 HydrophobicContact CG-CE2 4.17Å; F104-F165 HydrophobicContact CG-CZ 4.27Å; F104-E167 HydrophobicContact CE2-CG 4.48Å; F104-E167 HydrophobicContact CZ-CG 4.31Å; F104-V170 HydrophobicContact CE2-CG2 4.43Å; F104-N203 PolarHBondContact N-ND2 3.26Å; F104-N203 PolarHBondContact N-OD1 2.71Å; F104-N203 PolarHBondContact O-ND2 3.05Å; F104-L207 HydrophobicContact CB-CB 4.38Å; F104-L207 HydrophobicContact CD1-CB 3.88Å; F104-L207 HydrophobicContact CD1-CD1 4.23Å; F104-L207 HydrophobicContact CD2-CD1 4.07Å; F104-L207 HydrophobicContact CE1-CB 4.43Å; F104-L207 HydrophobicContact CE1-CD1 4.37Å; F104-L207 HydrophobicContact CE2-CD1 4.21Å; F104-L207 HydrophobicContact CG-CB 4.19Å; F104-L207 HydrophobicContact CG-CD1 4.08Å; F104-L207 HydrophobicContact CZ-CD1 4.36Å; F104-Y210 HydrophobicContact CZ-CD1 4.22Å; F104-Y210 HydrophobicContact CZ-CG 4.04Å
105	S	96.2	Very high	74.9	Confident	44 Å²	44	75.5 Å²	75.5	31%	0.308	38%	0.384	S	S	.	.			trans	-124.2	83.3	-177.6	-72.8	0	0	0	0	109.3	V103 Q107 H164 F165	V103-S105 PolarHBondContact O-N 3.46Å; S105-Q107 PolarHBondContact O-N 2.82Å; S105-H164 PolarHBondContact OG-ND1 3.42Å; S105-F165 PolarHBondContact N-O 3.27Å
106	P	92.2	Very high	71.9	Confident	65 Å²	65	82.8 Å²	82.8	42%	0.422	42%	0.419	S	S	.	.			trans	-61.4	134.1	-177.1	24.8	-33.5	0	0	0	111.1	F104 R108 E167	F104-P106 HydrophobicContact CD1-CG 4.48Å; F104-P106 HydrophobicContact CE1-CB 3.94Å; F104-P106 HydrophobicContact CE1-CG 4.04Å; F104-P106 HydrophobicContact CZ-CB 3.88Å; F104-P106 HydrophobicContact CZ-CG 4.46Å; P106-R108 PolarHBondContact O-N 2.86Å; P106-E167 WeakPolarHBondContact CA-OE1 3.38Å; P106-E167 WeakPolarHBondContact CB-OE1 3.37Å
107	Q	87.3	Confident	68.9	Low	125 Å²	125	89.5 Å²	89.5	58%	0.584	45%	0.454	S	S	*	.			trans	-79.2	118.7	178.8	-64.8	-168.3	-5.4	0	0	109.9	S105 S109 T166 E167	S105-Q107 PolarHBondContact O-N 2.82Å; Q107-S109 PolarHBondContact O-N 3.42Å; Q107-T166 HydrophobicContact CG-CG2 3.78Å; Q107-E167 PolarHBondContact N-OE1 3.05Å; Q107-E167 PolarHBondContact N-OE2 2.98Å; Q107-E167 VanDerWaalsContact N-OE2 3.09Å
108	R	61.9	Low	66.3	Low	248 Å²	248	93.8 Å²	93.8	94%	0.936	49%	0.486	S	S	*	.	S	Bend	trans	-63	5.2	-175.6	-79.2	-173.9	179.2	179.6	0.5	115.8	P106	P106-R108 PolarHBondContact O-N 2.86Å
109	S	48.8	Very low	63.4	Low	97 Å²	97	97.9 Å²	97.9	68%	0.678	52%	0.516	S	S	*	.			trans	-117.6	49.9	-174.1	71.1	0	0	0	0	114.1	Q107	Q107-S109 PolarHBondContact O-N 3.42Å
110	Q	44.9	Very low	60.6	Low	170 Å²	170	103.9 Å²	103.9	79%	0.794	56%	0.558	S	S	*	*			trans	-144.8	61	146.2	-71	-166.5	-10.3	0	0	108.6	L112	Q110-L112 PolarHBondContact O-N 3.27Å
111	Q	38.1	Very low	57.7	Low	187 Å²	187	108.2 Å²	108.2	87%	0.874	58%	0.581	S	S	*	*			trans	-63.3	95.7	149.2	-82.5	-179.1	-45.2	0	0	105.7	D113	Q111-D113 PolarHBondContact O-N 3.16Å
112	L	38.2	Very low	55.1	Low	129 Å²	129	115.2 Å²	115.2	68%	0.675	61%	0.614	S	S	*	*			trans	-54.1	121.9	157.9	-76.5	161	0	0	0	106.1	Q110	Q110-L112 PolarHBondContact O-N 3.27Å
113	D	30.9	Very low	52.7	Low	114 Å²	114	124 Å²	124	61%	0.61	65%	0.647	S	S	*	*			trans	-48.4	132.9	174.8	-116.1	-36.9	0	0	0	108.9	Q111 H115 E116	Q111-D113 PolarHBondContact O-N 3.16Å; D113-H115 PolarHBondContact O-N 3.47Å; D113-E116 PolarHBondContact O-N 2.84Å
114	P	38.9	Very low	50.6	Low	118 Å²	118	132.4 Å²	132.4	77%	0.766	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	3.3	176.1	-13.2	26	0	0	0	113.7
115	H	34.2	Very low	48.6	Very low	167 Å²	167	138.3 Å²	138.3	77%	0.773	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-117.4	4.7	-176.6	-71.7	-54.7	0	0	0	114.8	D113 N117	D113-H115 PolarHBondContact O-N 3.47Å; H115-N117 PolarHBondContact O-N 3.29Å
116	E	33.6	Very low	47	Very low	153 Å²	153	139.9 Å²	139.9	72%	0.715	71%	0.712	S	S	*	*	S	Bend	trans	-79.1	102.1	161.2	-84.5	-166.9	157.7	0	0	109.3	D113 S118	D113-E116 PolarHBondContact O-N 2.84Å; E116-S118 PolarHBondContact O-N 2.85Å
117	N	32.2	Very low	46.1	Very low	143 Å²	143	139.8 Å²	139.8	77%	0.765	71%	0.713	S	S	*	*			trans	-29.6	127.6	-179.4	-75	-40.5	0	0	0	114.4	H115 S119	H115-N117 PolarHBondContact O-N 3.29Å; N117-S119 VanDerWaalsContact C-N 3.29Å; N117-S119 PolarHBondContact O-N 3.3Å
118	S	38.9	Very low	45	Very low	122 Å²	122	137.8 Å²	137.8	85%	0.853	71%	0.712	S	S	*	*			trans	-44.6	88.9	154.9	53.8	0	0	0	0	111.8	E116	E116-S118 PolarHBondContact O-N 2.85Å
119	S	32.2	Very low	44.9	Very low	97 Å²	97	128.6 Å²	128.6	68%	0.678	69%	0.686	S	S	*	*			trans	-101.9	107.1	151.1	59.2	0	0	0	0	107.3	N117 D121	N117-S119 VanDerWaalsContact C-N 3.29Å; N117-S119 PolarHBondContact O-N 3.3Å; S119-D121 PolarHBondContact O-N 2.89Å
120	S	37.4	Very low	45.7	Very low	131 Å²	131	126.8 Å²	126.8	92%	0.916	67%	0.671	S	S	*	*	S	Bend	trans	-66.2	53.7	174.7	53.6	0	0	0	0	113
121	D	35.4	Very low	47.3	Very low	95 Å²	95	125.5 Å²	125.5	51%	0.508	66%	0.658	S	S	.	*			trans	-144.9	58.2	175.2	-154.2	18.3	0	0	0	109.2	S119 R123	S119-D121 PolarHBondContact O-N 2.89Å; D121-R123 PolarHBondContact O-N 2.93Å; D121-R123 IonicContact OD1-NE 3.45Å; D121-R123 IonicContact OD2-CZ 2.68Å; D121-R123 IonicContact OD2-NE 3.22Å; D121-R123 PolarHBondContact OD2-NE 2.84Å; D121-R123 IonicContact OD2-NH2 3.09Å; D121-R123 PolarHBondContact OD2-NH2 2.79Å
122	Q	43.5	Very low	49.7	Very low	169 Å²	169	117.5 Å²	117.5	79%	0.79	62%	0.622	S	S	*	*			trans	-68.5	77.7	161.1	-78.8	-174.5	2.7	0	0	107.5	R124	Q122-R124 PolarHBondContact O-N 2.71Å
123	R	45.8	Very low	52.3	Low	192 Å²	192	113.9 Å²	113.9	73%	0.725	61%	0.606	S	S	*	*			trans	-55.9	116.4	168.7	-67	-178.8	-169.8	-177.3	4.1	106.5	D121 E125	D121-R123 PolarHBondContact O-N 2.93Å; D121-R123 IonicContact OD1-NE 3.45Å; D121-R123 IonicContact OD2-CZ 2.68Å; D121-R123 IonicContact OD2-NE 3.22Å; D121-R123 PolarHBondContact OD2-NE 2.84Å; D121-R123 IonicContact OD2-NH2 3.09Å; D121-R123 PolarHBondContact OD2-NH2 2.79Å; R123-E125 PolarHBondContact O-N 2.91Å
124	R	53.7	Low	55.3	Low	208 Å²	208	117.2 Å²	117.2	79%	0.785	61%	0.61	S	S	*	*			trans	-42.7	119.4	165.1	-70.8	178.4	177.5	176.6	-2.8	106.5	Q122 P126	Q122-R124 PolarHBondContact O-N 2.71Å; R124-P126 WeakPolarHBondContact O-CD 3.4Å; R124-P126 VanDerWaalsContact O-N 3.12Å
125	E	55.9	Low	57.9	Low	130 Å²	130	119.2 Å²	119.2	61%	0.607	60%	0.603	S	S	*	*			trans	-50.1	125.8	175	-95	-162.8	-167	0	0	107.8	R123 C127 S129	R123-E125 PolarHBondContact O-N 2.91Å; E125-C127 PolarHBondContact O-N 2.77Å; E125-S129 PolarHBondContact OE2-OG 2.69Å
126	P	64	Low	60.8	Low	78 Å²	78	113.2 Å²	113.2	51%	0.506	58%	0.576	S	S	.	*			trans	-52.1	141.6	179.5	-26.6	31.2	0	0	0	109.7	R124 S128 S129	R124-P126 WeakPolarHBondContact O-CD 3.4Å; R124-P126 VanDerWaalsContact O-N 3.12Å; P126-S128 PolarHBondContact O-N 3.36Å; P126-S129 VanDerWaalsContact O-CB 3.28Å; P126-S129 WeakPolarHBondContact O-CB 3.44Å; P126-S129 PolarHBondContact O-N 3.12Å; P126-S129 PolarHBondContact O-OG 3.45Å
127	C	72.8	Confident	63.8	Low	63 Å²	63	106.7 Å²	106.7	43%	0.426	55%	0.546	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-13.1	175.4	-70.1	0	0	0	0	114	R81 E125 C179	R81-C127 PolarHBondContact NH1-O 3.09Å; E125-C127 PolarHBondContact O-N 2.77Å; C127-C179 WeakPolarHBondContact CA-SG 3.34Å; C127-C179 HydrophobicContact CB-CB 3.69Å; C127-C179 WeakPolarHBondContact CB-SG 3.39Å; C127-C179 WeakPolarHBondContact SG-CA 3.25Å; C127-C179 WeakPolarHBondContact SG-CB 3.4Å; C127-C179 CovalentContact SG-SG 2.03Å; C127-C179 PolarHBondContact SG-SG 2.8Å
128	S	63	Low	66.8	Low	82 Å²	82	102.6 Å²	102.6	57%	0.573	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-3.9	173.7	57.6	0	0	0	0	115.9	P126 V130	P126-S128 PolarHBondContact O-N 3.36Å; S128-V130 PolarHBondContact O-N 3.47Å
129	S	61.1	Low	69.5	Low	56 Å²	56	103.8 Å²	103.8	39%	0.392	51%	0.508	S	S	.	.	S	Bend	trans	-70.5	-28.9	-164.4	60.4	0	0	0	0	114.5	E125 P126	E125-S129 PolarHBondContact OE2-OG 2.69Å; P126-S129 VanDerWaalsContact O-CB 3.28Å; P126-S129 WeakPolarHBondContact O-CB 3.44Å; P126-S129 PolarHBondContact O-N 3.12Å; P126-S129 PolarHBondContact O-OG 3.45Å
130	V	65.1	Low	72.6	Confident	58 Å²	58	99.4 Å²	99.4	35%	0.352	48%	0.476	S	S	.	.			trans	-140.4	90.2	177.5	-167.9	0	0	0	0	110.7	S128	S128-V130 PolarHBondContact O-N 3.47Å
131	R	77.8	Confident	75.3	Confident	143 Å²	143	94.1 Å²	94.1	54%	0.54	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-68.8	139.2	169.3	-71.4	-172.6	-179.1	154.3	11.5	109.8	P133	R131-P133 WeakPolarHBondContact O-CD 3.35Å
132	L	89.9	Confident	78.1	Confident	19 Å²	19	95.7 Å²	95.7	10%	0.099	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-64.2	121.4	169.8	-170.8	64.6	0	0	0	109.1	L73 L74 R76 W134 L136 E137 L140	L73-L132 HydrophobicContact CB-CD1 4.07Å; L74-L132 HydrophobicContact CD2-CD2 4.45Å; R76-L132 HydrophobicContact CB-CB 3.99Å; L132-W134 PolarHBondContact O-N 2.94Å; L132-L136 HydrophobicContact CD1-CB 4.45Å; L132-L136 HydrophobicContact CD1-CD2 3.81Å; L132-L136 HydrophobicContact CD1-CG 4.04Å; L132-E137 HydrophobicContact CD2-CB 3.64Å; L132-E137 HydrophobicContact CD2-CG 3.7Å; L132-E137 HydrophobicContact CG-CB 4.06Å; L132-L140 HydrophobicContact CD1-CD1 4.29Å; L132-L140 HydrophobicContact CD2-CD1 4.29Å
133	P	92.9	Very high	80.6	Confident	54 Å²	54	89.1 Å²	89.1	35%	0.351	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-60.5	136.7	176.6	-23.7	34.4	0	0	0	110.9	R131 W135 L136 E137	R131-P133 WeakPolarHBondContact O-CD 3.35Å; P133-W135 VanDerWaalsContact C-N 3.27Å; P133-W135 HydrophobicContact CB-CD2 4.42Å; P133-W135 HydrophobicContact CB-CG 4.42Å; P133-W135 HydrophobicContact CB-CZ2 4.22Å; P133-W135 VanDerWaalsContact CB-NE1 3.33Å; P133-W135 HydrophobicContact CG-CZ2 4.38Å; P133-W135 PolarHBondContact O-N 3.45Å; P133-L136 HydrophobicContact CB-CB 4.36Å; P133-L136 WeakPolarHBondContact O-CB 3.16Å; P133-L136 PolarHBondContact O-N 3.44Å; P133-E137 PolarHBondContact O-N 3.41Å
134	W	92.4	Very high	82.9	Confident	184 Å²	184	80.2 Å²	80.2	70%	0.697	38%	0.378	S	S	*	.	H	α-helix	trans	-53.5	-42	-176.6	169.4	86.4	0	0	0	113.2	L132 L136 E137 Q138	L132-W134 PolarHBondContact O-N 2.94Å; W134-L136 VanDerWaalsContact C-N 3.28Å; W134-L136 PolarHBondContact O-N 3.36Å; W134-E137 PolarHBondContact O-N 2.85Å; W134-Q138 HydrophobicContact CD2-CG 4.03Å; W134-Q138 VanDerWaalsContact CE2-CG 3.49Å; W134-Q138 HydrophobicContact CG-CG 4.43Å; W134-Q138 HydrophobicContact CH2-CG 4.34Å; W134-Q138 HydrophobicContact CZ2-CG 3.68Å; W134-Q138 WeakPolarHBondContact O-CG 3.46Å; W134-Q138 PolarHBondContact O-N 3.07Å
135	W	94.5	Very high	84.7	Confident	160 Å²	160	72.6 Å²	72.6	61%	0.606	36%	0.36	S	S	*	.	H	α-helix	trans	-64.1	-33.7	179.3	61.4	-98.6	0	0	0	112.5	P133 R139	P133-W135 VanDerWaalsContact C-N 3.27Å; P133-W135 HydrophobicContact CB-CD2 4.42Å; P133-W135 HydrophobicContact CB-CG 4.42Å; P133-W135 HydrophobicContact CB-CZ2 4.22Å; P133-W135 VanDerWaalsContact CB-NE1 3.33Å; P133-W135 HydrophobicContact CG-CZ2 4.38Å; P133-W135 PolarHBondContact O-N 3.45Å; W135-R139 WeakPolarHBondContact O-CB 3.36Å; W135-R139 PolarHBondContact O-N 3.1Å; W135-R139 VanDerWaalsContact O-N 3.16Å
136	L	95.7	Very high	86.5	Confident	41 Å²	41	72.7 Å²	72.7	22%	0.215	36%	0.36	C	S	.	.	H	α-helix	trans	-76.1	-40.4	177.3	-178.6	56.8	0	0	0	109.9	L73 L132 P133 W134 R139 L140	L73-L136 HydrophobicContact CD1-CD2 4.41Å; L132-L136 HydrophobicContact CD1-CB 4.45Å; L132-L136 HydrophobicContact CD1-CD2 3.81Å; L132-L136 HydrophobicContact CD1-CG 4.04Å; P133-L136 HydrophobicContact CB-CB 4.36Å; P133-L136 WeakPolarHBondContact O-CB 3.16Å; P133-L136 PolarHBondContact O-N 3.44Å; W134-L136 VanDerWaalsContact C-N 3.28Å; W134-L136 PolarHBondContact O-N 3.36Å; L136-R139 PolarHBondContact O-N 3.43Å; L136-L140 HydrophobicContact CD1-CD1 4.33Å; L136-L140 HydrophobicContact CD1-CG 4.21Å; L136-L140 HydrophobicContact CG-CD1 4.04Å; L136-L140 HydrophobicContact CG-CG 4.39Å; L136-L140 WeakPolarHBondContact O-CB 3.3Å; L136-L140 VanDerWaalsContact O-CG 3.25Å; L136-L140 WeakPolarHBondContact O-CG 3.37Å; L136-L140 PolarHBondContact O-N 3.47Å
137	E	95.6	Very high	87.9	Confident	16 Å²	16	70 Å²	70	8%	0.075	34%	0.341	C	S	.	.	H	α-helix	trans	-57.8	-49.9	174	-166.2	-175.6	100.7	0	0	111	L74 S77 L132 P133 W134 R139 L140 K141 L399	L74-E137 HydrophobicContact CD2-CG 4.27Å; S77-E137 WeakPolarHBondContact CB-OE2 3.27Å; S77-E137 PolarHBondContact OG-OE2 3.39Å; L132-E137 HydrophobicContact CD2-CB 3.64Å; L132-E137 HydrophobicContact CD2-CG 3.7Å; L132-E137 HydrophobicContact CG-CB 4.06Å; P133-E137 PolarHBondContact O-N 3.41Å; W134-E137 PolarHBondContact O-N 2.85Å; E137-R139 VanDerWaalsContact C-N 3.34Å; E137-R139 PolarHBondContact O-N 3.46Å; E137-L140 PolarHBondContact O-N 3.09Å; E137-K141 WeakPolarHBondContact O-CG 3.49Å; E137-K141 PolarHBondContact O-N 2.71Å; E137-K141 WeakPolarHBondContact OE1-CE 3.27Å; E137-K141 IonicContact OE1-NZ 2.72Å; E137-K141 PolarHBondContact OE1-NZ 2.99Å; E137-K141 VanDerWaalsContact OE1-NZ 3.09Å; E137-L399 HydrophobicContact CG-CD1 4.2Å
138	Q	95.3	Very high	88.8	Confident	57 Å²	57	68.4 Å²	68.4	27%	0.266	33%	0.327	S	S	.	.	H	α-helix	trans	-59.9	-42.6	177.9	-70.3	-61.3	-43.8	0	0	112.6	W134 K141 Q142	W134-Q138 HydrophobicContact CD2-CG 4.03Å; W134-Q138 VanDerWaalsContact CE2-CG 3.49Å; W134-Q138 HydrophobicContact CG-CG 4.43Å; W134-Q138 HydrophobicContact CH2-CG 4.34Å; W134-Q138 HydrophobicContact CZ2-CG 3.68Å; W134-Q138 WeakPolarHBondContact O-CG 3.46Å; W134-Q138 PolarHBondContact O-N 3.07Å; Q138-K141 PolarHBondContact O-N 2.59Å; Q138-Q142 WeakPolarHBondContact O-CG 3.38Å; Q138-Q142 PolarHBondContact O-N 3.01Å
139	R	96.4	Very high	90.2	Very high	147 Å²	147	70.7 Å²	70.7	56%	0.555	33%	0.332	S	S	*	.	H	α-helix	trans	-63.4	-43	175.8	-175.2	174.7	-179.2	172.5	2.1	111.9	W135 L136 E137 Q142 D143	W135-R139 WeakPolarHBondContact O-CB 3.36Å; W135-R139 PolarHBondContact O-N 3.1Å; W135-R139 VanDerWaalsContact O-N 3.16Å; L136-R139 PolarHBondContact O-N 3.43Å; E137-R139 VanDerWaalsContact C-N 3.34Å; E137-R139 PolarHBondContact O-N 3.46Å; R139-Q142 PolarHBondContact O-N 2.96Å; R139-D143 IonicContact NE-OD2 3.98Å; R139-D143 WeakPolarHBondContact O-CB 3.25Å; R139-D143 VanDerWaalsContact O-CG 3.26Å; R139-D143 PolarHBondContact O-N 2.96Å
140	L	96.5	Very high	91.7	Very high	4 Å²	4	71.4 Å²	71.4	2%	0.021	33%	0.334	C	S	.	.	H	α-helix	trans	-63.3	-41.2	177.2	-72	169.9	0	0	0	111.5	R70 F71 L73 L74 L132 L136 E137 D143 W144	R70-L140 HydrophobicContact CB-CD2 4.32Å; R70-L140 HydrophobicContact CG-CD2 4.26Å; R70-L140 WeakPolarHBondContact O-CD2 3.03Å; F71-L140 HydrophobicContact CD1-CD2 4.15Å; F71-L140 HydrophobicContact CE1-CD2 4.46Å; L73-L140 HydrophobicContact CB-CD1 3.85Å; L74-L140 HydrophobicContact CD2-CB 3.79Å; L74-L140 HydrophobicContact CD2-CD1 4.28Å; L74-L140 HydrophobicContact CG-CB 4.17Å; L74-L140 HydrophobicContact CG-CD1 4.37Å; L132-L140 HydrophobicContact CD1-CD1 4.29Å; L132-L140 HydrophobicContact CD2-CD1 4.29Å; L136-L140 HydrophobicContact CD1-CD1 4.33Å; L136-L140 HydrophobicContact CD1-CG 4.21Å; L136-L140 HydrophobicContact CG-CD1 4.04Å; L136-L140 HydrophobicContact CG-CG 4.39Å; L136-L140 WeakPolarHBondContact O-CB 3.3Å; L136-L140 VanDerWaalsContact O-CG 3.25Å; L136-L140 WeakPolarHBondContact O-CG 3.37Å; L136-L140 PolarHBondContact O-N 3.47Å; E137-L140 PolarHBondContact O-N 3.09Å; L140-D143 PolarHBondContact O-N 2.74Å; L140-W144 WeakPolarHBondContact O-CB 3.39Å; L140-W144 PolarHBondContact O-N 3.37Å
141	K	95	Very high	92.9	Very high	20 Å²	20	69.2 Å²	69.2	9%	0.087	32%	0.32	C	S	.	.	H	α-helix	trans	-60.5	-45.1	174.7	-66.4	-179.2	-164.4	-163.7	0	112.1	L74 E137 Q138 W144 A145 D397 D398 L399	L74-K141 HydrophobicContact CD2-CG 4.5Å; E137-K141 WeakPolarHBondContact O-CG 3.49Å; E137-K141 PolarHBondContact O-N 2.71Å; E137-K141 WeakPolarHBondContact OE1-CE 3.27Å; E137-K141 IonicContact OE1-NZ 2.72Å; E137-K141 PolarHBondContact OE1-NZ 2.99Å; E137-K141 VanDerWaalsContact OE1-NZ 3.09Å; Q138-K141 PolarHBondContact O-N 2.59Å; K141-W144 WeakPolarHBondContact O-CB 3.14Å; K141-W144 PolarHBondContact O-N 2.87Å; K141-A145 PolarHBondContact O-N 3.42Å; K141-D397 WeakPolarHBondContact CD-O 3.34Å; K141-D397 WeakPolarHBondContact CG-O 3.39Å; K141-D398 PolarHBondContact NZ-O 3.13Å; K141-L399 HydrophobicContact CD-CG 4.34Å; K141-L399 VanDerWaalsContact CE-CG 3.46Å
142	Q	94.3	Very high	93.5	Very high	128 Å²	128	64.9 Å²	64.9	60%	0.598	32%	0.315	S	S	*	.	H	α-helix	trans	-63.6	-46.2	177.9	-71.4	172.7	-0.6	0	0	112.2	Q138 R139 W144 A145	Q138-Q142 WeakPolarHBondContact O-CG 3.38Å; Q138-Q142 PolarHBondContact O-N 3.01Å; R139-Q142 PolarHBondContact O-N 2.96Å; Q142-W144 VanDerWaalsContact C-N 3.27Å; Q142-W144 PolarHBondContact O-N 2.99Å; Q142-A145 PolarHBondContact O-N 3.22Å
143	D	95.8	Very high	93.5	Very high	32 Å²	32	69.8 Å²	69.8	17%	0.171	34%	0.335	C	S	.	.	H	α-helix	trans	-68.1	-30.6	178.7	-68.9	-9.4	0	0	0	111.2	R70 F71 R139 L140 Q146 Q147	R70-D143 IonicContact CZ-OD2 2.8Å; R70-D143 IonicContact NH1-OD2 2.95Å; R70-D143 PolarHBondContact NH1-OD2 2.92Å; R70-D143 IonicContact NH2-OD2 3.85Å; F71-D143 HydrophobicContact CE1-CB 3.93Å; F71-D143 HydrophobicContact CZ-CB 4.07Å; R139-D143 IonicContact NE-OD2 3.98Å; R139-D143 WeakPolarHBondContact O-CB 3.25Å; R139-D143 VanDerWaalsContact O-CG 3.26Å; R139-D143 PolarHBondContact O-N 2.96Å; L140-D143 PolarHBondContact O-N 2.74Å; D143-Q146 WeakPolarHBondContact O-CB 3.38Å; D143-Q146 PolarHBondContact O-N 3.26Å; D143-Q147 PolarHBondContact O-N 3.2Å
144	W	94.3	Very high	93.3	Very high	5 Å²	5	68.4 Å²	68.4	2%	0.019	32%	0.324	C	S	.	.	H	α-helix	trans	-65.2	-40.7	178.9	-179.8	-113.1	0	0	0	112.3	L65 F71 L140 K141 Q142 Q146 Q147 Q148 L151 A389 D397	L65-W144 HydrophobicContact CB-CH2 4.41Å; L65-W144 HydrophobicContact CD1-CE3 4.19Å; L65-W144 HydrophobicContact CD1-CH2 3.58Å; L65-W144 HydrophobicContact CD1-CZ2 3.95Å; L65-W144 HydrophobicContact CD1-CZ3 3.71Å; F71-W144 HydrophobicContact CB-CE3 4.06Å; F71-W144 HydrophobicContact CB-CZ3 4.15Å; F71-W144 HydrophobicContact CD1-CB 4.1Å; F71-W144 HydrophobicContact CD1-CD2 4.41Å; F71-W144 AromaticContact CD1-CE3 3.65Å; F71-W144 HydrophobicContact CD1-CE3 3.65Å; F71-W144 HydrophobicContact CD1-CZ3 4.48Å; F71-W144 AromaticContact CD2-CE3 3.8Å; F71-W144 HydrophobicContact CD2-CE3 3.8Å; F71-W144 AromaticContact CD2-CZ3 3.94Å; F71-W144 HydrophobicContact CD2-CZ3 3.94Å; F71-W144 HydrophobicContact CE1-CB 3.85Å; F71-W144 AromaticContact CE1-CE3 3.98Å; F71-W144 HydrophobicContact CE1-CE3 3.98Å; F71-W144 HydrophobicContact CE2-CE3 4.12Å; F71-W144 HydrophobicContact CE2-CZ3 4.49Å; F71-W144 AromaticContact CG-CE3 3.56Å; F71-W144 HydrophobicContact CG-CE3 3.56Å; F71-W144 AromaticContact CG-CZ3 3.95Å; F71-W144 HydrophobicContact CG-CZ3 3.95Å; F71-W144 HydrophobicContact CZ-CE3 4.2Å; L140-W144 WeakPolarHBondContact O-CB 3.39Å; L140-W144 PolarHBondContact O-N 3.37Å; K141-W144 WeakPolarHBondContact O-CB 3.14Å; K141-W144 PolarHBondContact O-N 2.87Å; Q142-W144 VanDerWaalsContact C-N 3.27Å; Q142-W144 PolarHBondContact O-N 2.99Å; W144-Q146 PolarHBondContact O-N 3.39Å; W144-Q147 HydrophobicContact CE3-CB 4.11Å; W144-Q147 HydrophobicContact CE3-CG 4.15Å; W144-Q147 HydrophobicContact CZ3-CB 4.45Å; W144-Q147 HydrophobicContact CZ3-CG 4Å; W144-Q147 WeakPolarHBondContact O-CB 3.36Å; W144-Q147 PolarHBondContact O-N 2.85Å; W144-Q148 HydrophobicContact CD2-CG 4.25Å; W144-Q148 HydrophobicContact CG-CG 4.47Å; W144-Q148 HydrophobicContact CZ2-CG 4.03Å; W144-Q148 VanDerWaalsContact NE1-CD 3.33Å; W144-Q148 VanDerWaalsContact NE1-NE2 3.11Å; W144-Q148 WeakPolarHBondContact O-CG 3.43Å; W144-Q148 PolarHBondContact O-N 2.86Å; W144-L151 HydrophobicContact CH2-CD1 4.01Å; W144-L151 HydrophobicContact CZ3-CD1 4.4Å; W144-A389 HydrophobicContact CZ2-CB 4.16Å; W144-D397 PolarHBondContact NE1-OD1 2.85Å
145	A	91	Very high	93	Very high	48 Å²	48	63 Å²	63	40%	0.397	31%	0.307	S	S	.	.	H	α-helix	trans	-58	-35.6	175.4	0	0	0	0	0	112.2	K141 Q142	K141-A145 PolarHBondContact O-N 3.42Å; Q142-A145 PolarHBondContact O-N 3.22Å
146	Q	92.7	Very high	92.6	Very high	132 Å²	132	61.4 Å²	61.4	62%	0.617	31%	0.306	S	S	*	.	H	α-helix	trans	-72.6	-42.5	174	-62.4	-177.6	-2.6	0	0	111.5	D143 W144 Q148 L149 V150	D143-Q146 WeakPolarHBondContact O-CB 3.38Å; D143-Q146 PolarHBondContact O-N 3.26Å; W144-Q146 PolarHBondContact O-N 3.39Å; Q146-Q148 VanDerWaalsContact C-N 3.32Å; Q146-Q148 PolarHBondContact O-N 3.2Å; Q146-L149 WeakPolarHBondContact O-CB 3.32Å; Q146-L149 PolarHBondContact O-N 3.36Å; Q146-L149 VanDerWaalsContact O-N 3.15Å; Q146-V150 PolarHBondContact O-N 2.94Å
147	Q	94.3	Very high	92.2	Very high	21 Å²	21	64.1 Å²	64.1	10%	0.098	32%	0.317	C	S	.	.	H	α-helix	trans	-61.4	-39.6	178.6	-176.5	61.3	10.3	0	0	112.2	E68 F71 D143 W144 L149 V150 L151	E68-Q147 PolarHBondContact OE1-OE1 3.19Å; F71-Q147 HydrophobicContact CD2-CG 4.26Å; F71-Q147 HydrophobicContact CE2-CB 3.75Å; F71-Q147 HydrophobicContact CE2-CG 3.63Å; F71-Q147 HydrophobicContact CZ-CB 3.78Å; F71-Q147 HydrophobicContact CZ-CG 4.2Å; D143-Q147 PolarHBondContact O-N 3.2Å; W144-Q147 HydrophobicContact CE3-CB 4.11Å; W144-Q147 HydrophobicContact CE3-CG 4.15Å; W144-Q147 HydrophobicContact CZ3-CB 4.45Å; W144-Q147 HydrophobicContact CZ3-CG 4Å; W144-Q147 WeakPolarHBondContact O-CB 3.36Å; W144-Q147 PolarHBondContact O-N 2.85Å; Q147-L149 PolarHBondContact O-N 3.42Å; Q147-V150 WeakPolarHBondContact O-CA 3.44Å; Q147-V150 WeakPolarHBondContact O-CB 3.21Å; Q147-V150 PolarHBondContact O-N 3.47Å; Q147-L151 HydrophobicContact CG-CD1 4.2Å; Q147-L151 HydrophobicContact CG-CG 4.36Å; Q147-L151 WeakPolarHBondContact O-CG 3.33Å; Q147-L151 PolarHBondContact O-N 3.25Å
148	Q	91.9	Very high	91.7	Very high	30 Å²	30	65.9 Å²	65.9	14%	0.14	33%	0.328	C	S	.	.	H	α-helix	trans	-58.1	-34.6	176.1	-75.1	174.6	-41.4	0	0	112.2	W144 Q146 L151 A152 A389 D397	W144-Q148 HydrophobicContact CD2-CG 4.25Å; W144-Q148 HydrophobicContact CG-CG 4.47Å; W144-Q148 HydrophobicContact CZ2-CG 4.03Å; W144-Q148 VanDerWaalsContact NE1-CD 3.33Å; W144-Q148 VanDerWaalsContact NE1-NE2 3.11Å; W144-Q148 WeakPolarHBondContact O-CG 3.43Å; W144-Q148 PolarHBondContact O-N 2.86Å; Q146-Q148 VanDerWaalsContact C-N 3.32Å; Q146-Q148 PolarHBondContact O-N 3.2Å; Q148-L151 PolarHBondContact O-N 3.02Å; Q148-A152 WeakPolarHBondContact O-CB 3.25Å; Q148-A152 PolarHBondContact O-N 3.46Å; Q148-A389 HydrophobicContact CG-CB 4.07Å; Q148-D397 PolarHBondContact NE2-OD1 3.32Å; Q148-D397 PolarHBondContact OE1-OD1 3.02Å; Q148-D397 PolarHBondContact OE1-OD2 2.97Å
149	L	91.5	Very high	91.3	Very high	129 Å²	129	69 Å²	69	68%	0.675	34%	0.342	S	S	*	.	H	α-helix	trans	-67.6	-37.1	175.4	-63	173.5	0	0	0	111.8	Q146 Q147 K153	Q146-L149 WeakPolarHBondContact O-CB 3.32Å; Q146-L149 PolarHBondContact O-N 3.36Å; Q146-L149 VanDerWaalsContact O-N 3.15Å; Q147-L149 PolarHBondContact O-N 3.42Å; L149-K153 WeakPolarHBondContact O-CB 3.21Å; L149-K153 PolarHBondContact O-N 2.83Å; L149-K153 VanDerWaalsContact O-N 3.11Å
150	V	92.5	Very high	91	Very high	71 Å²	71	63.5 Å²	63.5	43%	0.43	32%	0.322	S	S	.	.	H	α-helix	trans	-64	-49.2	174.5	179.8	0	0	0	0	109.7	Q146 Q147 A152 K153 E154	Q146-V150 PolarHBondContact O-N 2.94Å; Q147-V150 WeakPolarHBondContact O-CA 3.44Å; Q147-V150 WeakPolarHBondContact O-CB 3.21Å; Q147-V150 PolarHBondContact O-N 3.47Å; V150-A152 PolarHBondContact O-N 2.96Å; V150-K153 WeakPolarHBondContact O-CB 3.31Å; V150-K153 PolarHBondContact O-N 3.32Å; V150-K153 VanDerWaalsContact O-N 3.16Å; V150-E154 PolarHBondContact O-N 2.82Å
151	L	91.8	Very high	90.5	Very high	13 Å²	13	68 Å²	68	7%	0.068	35%	0.346	C	S	.	.	H	α-helix	trans	-60.5	-43.8	179.1	-65.5	173.7	0	0	0	112.1	W144 Q147 Q148 K153 E154 E155 A389	W144-L151 HydrophobicContact CH2-CD1 4.01Å; W144-L151 HydrophobicContact CZ3-CD1 4.4Å; Q147-L151 HydrophobicContact CG-CD1 4.2Å; Q147-L151 HydrophobicContact CG-CG 4.36Å; Q147-L151 WeakPolarHBondContact O-CG 3.33Å; Q147-L151 PolarHBondContact O-N 3.25Å; Q148-L151 PolarHBondContact O-N 3.02Å; L151-K153 VanDerWaalsContact C-N 3.29Å; L151-K153 PolarHBondContact O-N 3.15Å; L151-E154 PolarHBondContact O-N 2.81Å; L151-E155 PolarHBondContact O-N 2.88Å; L151-A389 HydrophobicContact CD1-CB 3.87Å
152	A	88.9	Confident	90.3	Very high	51 Å²	51	71.6 Å²	71.6	42%	0.421	37%	0.371	S	S	.	.	H	α-helix	trans	-61.5	-37.7	176.5	0	0	0	0	0	112.2	Q148 V150 Q156	Q148-A152 WeakPolarHBondContact O-CB 3.25Å; Q148-A152 PolarHBondContact O-N 3.46Å; V150-A152 PolarHBondContact O-N 2.96Å; A152-Q156 WeakPolarHBondContact O-CB 3.37Å; A152-Q156 PolarHBondContact O-N 2.8Å
153	K	89.9	Confident	90.3	Very high	122 Å²	122	66.1 Å²	66.1	53%	0.53	35%	0.346	S	S	.	.	H	α-helix	trans	-68.2	-43.9	176.5	-174.9	-179.7	176.7	-175.8	0	111.8	L149 V150 L151 E155 Q156 Q157	L149-K153 WeakPolarHBondContact O-CB 3.21Å; L149-K153 PolarHBondContact O-N 2.83Å; L149-K153 VanDerWaalsContact O-N 3.11Å; V150-K153 WeakPolarHBondContact O-CB 3.31Å; V150-K153 PolarHBondContact O-N 3.32Å; V150-K153 VanDerWaalsContact O-N 3.16Å; L151-K153 VanDerWaalsContact C-N 3.29Å; L151-K153 PolarHBondContact O-N 3.15Å; K153-E155 VanDerWaalsContact C-N 3.32Å; K153-E155 PolarHBondContact O-N 2.72Å; K153-Q156 PolarHBondContact O-N 2.89Å; K153-Q157 HydrophobicContact CG-CG 4.49Å; K153-Q157 WeakPolarHBondContact O-CB 3.46Å; K153-Q157 VanDerWaalsContact O-CG 3.29Å; K153-Q157 WeakPolarHBondContact O-CG 3.44Å; K153-Q157 PolarHBondContact O-N 2.95Å
154	E	89	Confident	90.3	Very high	25 Å²	25	70 Å²	70	12%	0.117	36%	0.363	C	S	.	.	H	α-helix	trans	-57.6	-46.3	175	-72.9	-170.8	148.3	0	0	111.2	K98 V150 L151 Q157 N158 Q159 N161	K98-E154 WeakPolarHBondContact CE-OE2 3.38Å; K98-E154 IonicContact NZ-OE1 3.74Å; K98-E154 PolarHBondContact NZ-OE1 2.95Å; K98-E154 IonicContact NZ-OE2 3.95Å; K98-E154 PolarHBondContact NZ-OE2 3.01Å; V150-E154 PolarHBondContact O-N 2.82Å; L151-E154 PolarHBondContact O-N 2.81Å; E154-Q157 CarbonylContact O-C 3.58Å; E154-Q157 PolarHBondContact O-N 3.16Å; E154-N158 PolarHBondContact O-N 2.66Å; E154-Q159 WeakPolarHBondContact CB-O 3.32Å; E154-Q159 PolarHBondContact O-N 3.07Å; E154-Q159 VanDerWaalsContact O-N 3.16Å; E154-N161 PolarHBondContact OE1-ND2 2.86Å; E154-N161 VanDerWaalsContact OE1-ND2 3.12Å
155	E	86.4	Confident	90.4	Very high	71 Å²	71	70 Å²	70	33%	0.332	36%	0.363	S	S	.	.	H	α-helix	trans	-64.5	-41.6	178.2	-174.7	171.1	-172.1	0	0	112.1	L151 K153 Q157 N158 G350	L151-E155 PolarHBondContact O-N 2.88Å; K153-E155 VanDerWaalsContact C-N 3.32Å; K153-E155 PolarHBondContact O-N 2.72Å; E155-Q157 VanDerWaalsContact C-N 3.28Å; E155-Q157 PolarHBondContact O-N 3.17Å; E155-N158 PolarHBondContact O-N 3.32Å; E155-G350 WeakPolarHBondContact OE1-CA 3.12Å
156	Q	85.3	Confident	90.7	Very high	127 Å²	127	68.5 Å²	68.5	59%	0.593	35%	0.349	S	S	*	.	H	α-helix	trans	-62.1	-37	175.2	-174.1	176.8	3.2	0	0	112.5	A152 K153	A152-Q156 WeakPolarHBondContact O-CB 3.37Å; A152-Q156 PolarHBondContact O-N 2.8Å; K153-Q156 PolarHBondContact O-N 2.89Å
157	Q	87.8	Confident	90.8	Very high	97 Å²	97	64 Å²	64	45%	0.453	33%	0.328	S	S	.	.	H	α-helix	trans	-85.4	-12.3	-178.3	-66.7	179.3	-27.6	0	0	113	K153 E154 E155 Q159	K153-Q157 HydrophobicContact CG-CG 4.49Å; K153-Q157 WeakPolarHBondContact O-CB 3.46Å; K153-Q157 VanDerWaalsContact O-CG 3.29Å; K153-Q157 WeakPolarHBondContact O-CG 3.44Å; K153-Q157 PolarHBondContact O-N 2.95Å; E154-Q157 CarbonylContact O-C 3.58Å; E154-Q157 PolarHBondContact O-N 3.16Å; E155-Q157 VanDerWaalsContact C-N 3.28Å; E155-Q157 PolarHBondContact O-N 3.17Å; Q157-Q159 HydrophobicContact CB-CB 4.21Å; Q157-Q159 HydrophobicContact CB-CG 4.15Å; Q157-Q159 PolarHBondContact O-N 2.9Å
158	N	85.4	Confident	90.9	Very high	54 Å²	54	66.4 Å²	66.4	29%	0.289	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	38.8	-166.7	-55.9	-81.3	0	0	0	112	E154 E155 Y160 K231	E154-N158 PolarHBondContact O-N 2.66Å; E155-N158 PolarHBondContact O-N 3.32Å; N158-Y160 HydrophobicContact CB-CE2 4.44Å; N158-K231 WeakPolarHBondContact OD1-CE 3.44Å
159	Q	86.8	Confident	91.1	Very high	123 Å²	123	65 Å²	65	58%	0.575	34%	0.335	S	S	*	.			trans	-117.4	107.1	179	-71.8	-179.3	6.2	0	0	108.5	E154 Q157	E154-Q159 WeakPolarHBondContact CB-O 3.32Å; E154-Q159 PolarHBondContact O-N 3.07Å; E154-Q159 VanDerWaalsContact O-N 3.16Å; Q157-Q159 HydrophobicContact CB-CB 4.21Å; Q157-Q159 HydrophobicContact CB-CG 4.15Å; Q157-Q159 PolarHBondContact O-N 2.9Å
160	Y	89.1	Confident	91.4	Very high	31 Å²	31	59 Å²	59	12%	0.122	30%	0.303	C	S	.	.			trans	-113	117.5	-175.8	-57.9	-80	0	0	0	109.9	T97 F101 N158 K232	T97-Y160 HydrophobicContact CG2-CD1 4.12Å; T97-Y160 HydrophobicContact CG2-CE1 3.55Å; T97-Y160 HydrophobicContact CG2-CE2 4.13Å; F101-Y160 HydrophobicContact CD2-CG 4.1Å; F101-Y160 HydrophobicContact CE1-CD2 4.46Å; F101-Y160 HydrophobicContact CE1-CG 4.39Å; F101-Y160 HydrophobicContact CE2-CD1 4.46Å; F101-Y160 AromaticContact CE2-CD2 3.88Å; F101-Y160 HydrophobicContact CE2-CD2 3.88Å; F101-Y160 AromaticContact CE2-CG 3.75Å; F101-Y160 HydrophobicContact CE2-CG 3.75Å; F101-Y160 AromaticContact CZ-CD2 3.76Å; F101-Y160 HydrophobicContact CZ-CD2 3.76Å; F101-Y160 AromaticContact CZ-CG 3.91Å; F101-Y160 HydrophobicContact CZ-CG 3.91Å; N158-Y160 HydrophobicContact CB-CE2 4.44Å; Y160-K232 HydrophobicContact CD2-CB 4.24Å; Y160-K232 HydrophobicContact CE2-CB 4.04Å; Y160-K232 HydrophobicContact CE2-CG 4.12Å
161	N	87.1	Confident	91.5	Very high	99 Å²	99	57.6 Å²	57.6	53%	0.529	29%	0.294	S	S	.	.			trans	-79.5	144.7	175.1	-62.4	-58	0	0	0	111	E154 V163	E154-N161 PolarHBondContact OE1-ND2 2.86Å; E154-N161 VanDerWaalsContact OE1-ND2 3.12Å; N161-V163 PolarHBondContact O-N 3.44Å
162	P	91.4	Very high	91.7	Very high	94 Å²	94	57.3 Å²	57.3	61%	0.61	29%	0.292	S	S	*	.			trans	-57.2	135.3	169.1	-23.2	33.6	0	0	0	111.4	F101	F101-P162 CarbonylContact O-C 3.54Å; F101-P162 WeakPolarHBondContact O-CA 3.36Å
163	V	93.6	Very high	92.1	Very high	14 Å²	14	54.9 Å²	54.9	9%	0.085	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	129.6	177.4	174.6	0	0	0	0	108.2	A66 K98 F101 M102 V103 N161	A66-V163 WeakPolarHBondContact O-CG1 3.13Å; K98-V163 HydrophobicContact CD-CG2 4.39Å; F101-V163 PolarHBondContact O-N 2.88Å; M102-V163 CarbonylContact C-O 3.59Å; M102-V163 VanDerWaalsContact CA-O 3.27Å; M102-V163 WeakPolarHBondContact CA-O 3.48Å; M102-V163 HydrophobicContact CG-CB 4.02Å; M102-V163 HydrophobicContact CG-CG1 4.23Å; V103-V163 PolarHBondContact N-O 2.93Å; N161-V163 PolarHBondContact O-N 3.44Å
164	H	95.5	Very high	92.4	Very high	113 Å²	113	50.4 Å²	50.4	52%	0.523	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	132	170.8	-66.7	-77	0	0	0	109.4	V103 S105	V103-H164 WeakPolarHBondContact O-CA 3.38Å; S105-H164 PolarHBondContact OG-ND1 3.42Å
165	F	96.6	Very high	92.7	Very high	6 Å²	6	51.2 Å²	51.2	3%	0.026	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	157.2	172.8	72.6	-83.8	0	0	0	110	E69 M102 V103 F104 S105 T169 V170 F186 L207	E69-F165 HydrophobicContact CG-CB 4.33Å; M102-F165 HydrophobicContact CB-CD1 3.96Å; M102-F165 HydrophobicContact CB-CE1 3.96Å; M102-F165 HydrophobicContact CE-CB 4.13Å; M102-F165 HydrophobicContact CE-CD1 3.61Å; M102-F165 HydrophobicContact CE-CE1 4.16Å; M102-F165 HydrophobicContact CE-CG 3.93Å; V103-F165 PolarHBondContact O-N 3.45Å; V103-F165 VanDerWaalsContact O-N 3.14Å; F104-F165 WeakPolarHBondContact CA-O 3.36Å; F104-F165 HydrophobicContact CB-CE1 3.98Å; F104-F165 HydrophobicContact CB-CE2 3.99Å; F104-F165 HydrophobicContact CB-CZ 3.6Å; F104-F165 AromaticContact CD2-CD2 3.92Å; F104-F165 HydrophobicContact CD2-CD2 3.92Å; F104-F165 AromaticContact CD2-CE2 3.57Å; F104-F165 HydrophobicContact CD2-CE2 3.57Å; F104-F165 HydrophobicContact CD2-CZ 4.11Å; F104-F165 HydrophobicContact CE2-CE2 4.49Å; F104-F165 HydrophobicContact CG-CE2 4.17Å; F104-F165 HydrophobicContact CG-CZ 4.27Å; S105-F165 PolarHBondContact N-O 3.27Å; F165-T169 HydrophobicContact CB-CG2 4.46Å; F165-T169 HydrophobicContact CD2-CG2 4.18Å; F165-V170 HydrophobicContact CD2-CG2 4.24Å; F165-V170 HydrophobicContact CE2-CG2 3.82Å; F165-F186 HydrophobicContact CE2-CZ 4.01Å; F165-F186 HydrophobicContact CZ-CE1 4.33Å; F165-F186 AromaticContact CZ-CZ 3.87Å; F165-F186 HydrophobicContact CZ-CZ 3.87Å; F165-L207 HydrophobicContact CE2-CD1 4.35Å; F165-L207 HydrophobicContact CZ-CD2 4.19Å
166	T	96.5	Very high	93.2	Very high	15 Å²	15	47.9 Å²	47.9	9%	0.092	25%	0.246	C	C	.	.			trans	-117.6	-174.2	-172.8	66.1	0	0	0	0	110.1	E69 Q107 L168 T169	E69-T166 VanDerWaalsContact CD-N 3.3Å; E69-T166 VanDerWaalsContact CD-OG1 3.25Å; E69-T166 PolarHBondContact OE1-N 2.84Å; E69-T166 PolarHBondContact OE1-OG1 3.22Å; E69-T166 WeakPolarHBondContact OE2-CB 3.11Å; E69-T166 WeakPolarHBondContact OE2-CG2 3.25Å; E69-T166 PolarHBondContact OE2-N 3.37Å; E69-T166 PolarHBondContact OE2-OG1 3.19Å; Q107-T166 HydrophobicContact CG-CG2 3.78Å; T166-L168 PolarHBondContact O-N 2.87Å; T166-L168 WeakPolarHBondContact OG1-CB 3.24Å; T166-L168 PolarHBondContact OG1-N 2.94Å; T166-T169 PolarHBondContact O-N 3.18Å
167	E	96.4	Very high	93.8	Very high	37 Å²	37	42 Å²	42	17%	0.173	22%	0.218	C	C	.	.	H	α-helix	trans	-50.1	-34.2	170.4	-66.8	87.4	170.3	0	0	112.2	F104 P106 Q107 T169 V170 D171 Y210	F104-E167 HydrophobicContact CE2-CG 4.48Å; F104-E167 HydrophobicContact CZ-CG 4.31Å; P106-E167 WeakPolarHBondContact CA-OE1 3.38Å; P106-E167 WeakPolarHBondContact CB-OE1 3.37Å; Q107-E167 PolarHBondContact N-OE1 3.05Å; Q107-E167 PolarHBondContact N-OE2 2.98Å; Q107-E167 VanDerWaalsContact N-OE2 3.09Å; E167-T169 PolarHBondContact O-N 2.83Å; E167-V170 PolarHBondContact O-N 2.84Å; E167-D171 WeakPolarHBondContact O-CB 3.41Å; E167-D171 PolarHBondContact O-N 3.48Å; E167-Y210 HydrophobicContact CB-CE1 4.09Å; E167-Y210 HydrophobicContact CB-CE2 3.99Å; E167-Y210 WeakPolarHBondContact CB-OH 3.37Å; E167-Y210 HydrophobicContact CG-CD1 4.47Å; E167-Y210 HydrophobicContact CG-CD2 3.84Å; E167-Y210 HydrophobicContact CG-CE1 4.03Å; E167-Y210 HydrophobicContact CG-CE2 3.31Å; E167-Y210 HydrophobicContact CG-CG 4.39Å; E167-Y210 VanDerWaalsContact CG-CZ 3.43Å
168	L	94.7	Very high	94.1	Very high	73 Å²	73	40.2 Å²	40.2	38%	0.382	22%	0.217	S	C	.	.	H	α-helix	trans	-57.5	-48.2	-177.5	179.8	62.6	0	0	0	112.6	E69 T166 V170 D171 L172	E69-L168 HydrophobicContact CB-CD2 4.47Å; T166-L168 PolarHBondContact O-N 2.87Å; T166-L168 WeakPolarHBondContact OG1-CB 3.24Å; T166-L168 PolarHBondContact OG1-N 2.94Å; L168-V170 VanDerWaalsContact C-N 3.31Å; L168-V170 PolarHBondContact O-N 2.88Å; L168-D171 PolarHBondContact O-N 3.39Å; L168-L172 HydrophobicContact CD1-CD1 3.75Å; L168-L172 HydrophobicContact CD1-CG 4.07Å; L168-L172 HydrophobicContact CG-CD1 3.82Å; L168-L172 HydrophobicContact CG-CG 4.49Å; L168-L172 WeakPolarHBondContact O-CB 3.19Å; L168-L172 WeakPolarHBondContact O-CD1 3.24Å; L168-L172 WeakPolarHBondContact O-CG 3.49Å; L168-L172 PolarHBondContact O-N 2.92Å
169	T	96.6	Very high	94.5	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-60.5	-43.2	178.9	-69.7	0	0	0	0	111.4	A66 E69 M72 F94 F165 T166 E167 L173	A66-T169 HydrophobicContact CB-CG2 3.97Å; E69-T169 WeakPolarHBondContact CG-OG1 3.3Å; E69-T169 WeakPolarHBondContact OE1-CB 3.43Å; E69-T169 PolarHBondContact OE1-N 3.04Å; E69-T169 PolarHBondContact OE1-OG1 3.33Å; M72-T169 HydrophobicContact CE-CG2 4.11Å; M72-T169 HydrophobicContact CG-CG2 4.21Å; F94-T169 HydrophobicContact CZ-CG2 4.44Å; F165-T169 HydrophobicContact CB-CG2 4.46Å; F165-T169 HydrophobicContact CD2-CG2 4.18Å; T166-T169 PolarHBondContact O-N 3.18Å; E167-T169 PolarHBondContact O-N 2.83Å; T169-L173 HydrophobicContact CG2-CD1 4.05Å; T169-L173 WeakPolarHBondContact O-CG 3.37Å; T169-L173 PolarHBondContact O-N 3.28Å
170	V	97.5	Very high	95	Very high	2 Å²	2	33 Å²	33	1%	0.012	18%	0.184	C	C	.	.	H	α-helix	trans	-66.4	-46.9	-178.8	-176.5	0	0	0	0	110.7	F104 F165 E167 L168 L172 L173 H174 L207 Y210 C211 Y216 M218	F104-V170 HydrophobicContact CE2-CG2 4.43Å; F165-V170 HydrophobicContact CD2-CG2 4.24Å; F165-V170 HydrophobicContact CE2-CG2 3.82Å; E167-V170 PolarHBondContact O-N 2.84Å; L168-V170 VanDerWaalsContact C-N 3.31Å; L168-V170 PolarHBondContact O-N 2.88Å; V170-L172 VanDerWaalsContact C-N 3.33Å; V170-L172 PolarHBondContact O-N 3.21Å; V170-L173 PolarHBondContact O-N 2.99Å; V170-H174 WeakPolarHBondContact O-CB 3.4Å; V170-H174 PolarHBondContact O-N 2.91Å; V170-L207 HydrophobicContact CG1-CD1 4.42Å; V170-L207 HydrophobicContact CG2-CD1 3.6Å; V170-Y210 HydrophobicContact CB-CD1 4.48Å; V170-Y210 HydrophobicContact CB-CE1 4.09Å; V170-Y210 HydrophobicContact CG1-CD1 4.2Å; V170-Y210 HydrophobicContact CG1-CE1 4.02Å; V170-C211 VanDerWaalsContact CG1-SG 3.54Å; V170-Y216 HydrophobicContact CG1-CD2 4.14Å; V170-Y216 HydrophobicContact CG1-CE2 4.29Å; V170-M218 HydrophobicContact CG1-CE 4.46Å
171	D	95.9	Very high	95.3	Very high	43 Å²	43	35.1 Å²	35.1	23%	0.23	20%	0.203	C	C	.	.	H	α-helix	trans	-62.9	-40.3	179.7	-69.5	3.6	0	0	0	111.4	E167 L168 S175 Y210 Y216	E167-D171 WeakPolarHBondContact O-CB 3.41Å; E167-D171 PolarHBondContact O-N 3.48Å; L168-D171 PolarHBondContact O-N 3.39Å; D171-S175 WeakPolarHBondContact O-CB 3.42Å; D171-S175 PolarHBondContact O-N 3.02Å; D171-Y210 WeakPolarHBondContact OD1-CE1 3.46Å; D171-Y210 PolarHBondContact OD1-OH 3.03Å; D171-Y210 PolarHBondContact OD2-OH 2.76Å; D171-Y210 VanDerWaalsContact OD2-OH 3.07Å; D171-Y216 WeakPolarHBondContact OD1-CE2 3.2Å; D171-Y216 PolarHBondContact OD1-OH 3.11Å
172	L	95.8	Very high	95.8	Very high	6 Å²	6	30.8 Å²	30.8	3%	0.031	18%	0.18	C	C	.	.	H	α-helix	trans	-68	-41.8	178.1	-71.6	170.5	0	0	0	112.2	M72 L73 R76 L168 V170 F176	M72-L172 HydrophobicContact CB-CB 4.44Å; M72-L172 HydrophobicContact CB-CD1 3.64Å; L73-L172 HydrophobicContact CD2-CD1 3.99Å; L73-L172 HydrophobicContact CD2-CD2 4.34Å; L73-L172 HydrophobicContact CG-CD1 4.44Å; R76-L172 HydrophobicContact CG-CD2 3.88Å; L168-L172 HydrophobicContact CD1-CD1 3.75Å; L168-L172 HydrophobicContact CD1-CG 4.07Å; L168-L172 HydrophobicContact CG-CD1 3.82Å; L168-L172 HydrophobicContact CG-CG 4.49Å; L168-L172 WeakPolarHBondContact O-CB 3.19Å; L168-L172 WeakPolarHBondContact O-CD1 3.24Å; L168-L172 WeakPolarHBondContact O-CG 3.49Å; L168-L172 PolarHBondContact O-N 2.92Å; V170-L172 VanDerWaalsContact C-N 3.33Å; V170-L172 PolarHBondContact O-N 3.21Å; L172-F176 WeakPolarHBondContact O-CB 3.32Å; L172-F176 PolarHBondContact O-N 3.46Å
173	L	97.2	Very high	96.2	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-64.8	-46.3	175.7	-78.7	166.1	0	0	0	112	I61 M72 L75 F94 T169 V170 F176 S177 L184 F186	I61-L173 HydrophobicContact CD1-CD2 4.27Å; M72-L173 HydrophobicContact CE-CD1 3.94Å; M72-L173 HydrophobicContact CE-CD2 3.66Å; M72-L173 HydrophobicContact CE-CG 3.51Å; L75-L173 HydrophobicContact CD1-CD2 3.92Å; L75-L173 HydrophobicContact CD1-CG 4.47Å; F94-L173 HydrophobicContact CB-CD1 4.13Å; F94-L173 HydrophobicContact CB-CD2 4.18Å; F94-L173 HydrophobicContact CD1-CD1 3.68Å; F94-L173 HydrophobicContact CD2-CD1 3.74Å; F94-L173 HydrophobicContact CD2-CD2 3.72Å; F94-L173 HydrophobicContact CD2-CG 4.36Å; F94-L173 HydrophobicContact CE1-CD1 3.95Å; F94-L173 HydrophobicContact CE2-CD1 4Å; F94-L173 HydrophobicContact CE2-CD2 4.35Å; F94-L173 HydrophobicContact CG-CD1 3.56Å; F94-L173 HydrophobicContact CG-CD2 4.05Å; F94-L173 HydrophobicContact CG-CG 4.48Å; F94-L173 HydrophobicContact CZ-CD1 4.09Å; T169-L173 HydrophobicContact CG2-CD1 4.05Å; T169-L173 WeakPolarHBondContact O-CG 3.37Å; T169-L173 PolarHBondContact O-N 3.28Å; V170-L173 PolarHBondContact O-N 2.99Å; L173-F176 PolarHBondContact O-N 3.32Å; L173-S177 WeakPolarHBondContact O-CB 3.04Å; L173-S177 PolarHBondContact O-N 3.41Å; L173-S177 PolarHBondContact O-OG 3.13Å; L173-L184 HydrophobicContact CB-CD1 4.48Å; L173-L184 HydrophobicContact CB-CD2 4.09Å; L173-F186 HydrophobicContact CD1-CD2 4.1Å; L173-F186 HydrophobicContact CD1-CE2 3.77Å
174	H	96.8	Very high	96.4	Very high	29 Å²	29	29.2 Å²	29.2	13%	0.134	17%	0.166	C	C	.	.	H	α-helix	trans	-65.7	-45.6	178.8	-171	-89.1	0	0	0	111.4	V170 F176 S177 S178 Y216 E217	V170-H174 WeakPolarHBondContact O-CB 3.4Å; V170-H174 PolarHBondContact O-N 2.91Å; H174-F176 VanDerWaalsContact C-N 3.35Å; H174-F176 PolarHBondContact O-N 3.03Å; H174-S177 WeakPolarHBondContact CA-OG 3.28Å; H174-S177 PolarHBondContact O-N 3.16Å; H174-S177 PolarHBondContact O-OG 3.28Å; H174-S178 VanDerWaalsContact O-CB 3.23Å; H174-S178 WeakPolarHBondContact O-CB 3.44Å; H174-S178 PolarHBondContact O-N 3.49Å; H174-Y216 HydrophobicContact CB-CD1 4.35Å; H174-Y216 HydrophobicContact CB-CD2 3.88Å; H174-Y216 HydrophobicContact CB-CE1 4.4Å; H174-Y216 HydrophobicContact CB-CE2 3.96Å; H174-Y216 HydrophobicContact CB-CG 4.08Å; H174-Y216 AromaticContact CD2-CD1 3.92Å; H174-Y216 AromaticContact CD2-CG 3.66Å; H174-Y216 AromaticContact CE1-CD1 3.46Å; H174-Y216 VanDerWaalsContact CE1-CD1 3.46Å; H174-Y216 WeakPolarHBondContact CE1-CD1 3.09Å; H174-Y216 AromaticContact CE1-CE1 4Å; H174-Y216 AromaticContact CG-CD1 3.55Å; H174-Y216 AromaticContact CG-CD2 3.85Å; H174-Y216 AromaticContact CG-CE1 3.91Å; H174-Y216 AromaticContact CG-CG 3.51Å; H174-Y216 AromaticContact ND1-CD1 3.27Å; H174-Y216 VanDerWaalsContact ND1-CD1 3.27Å; H174-Y216 WeakPolarHBondContact ND1-CD1 3.36Å; H174-Y216 AromaticContact ND1-CE1 3.43Å; H174-Y216 WeakPolarHBondContact ND1-CE1 3.4Å; H174-Y216 AromaticContact ND1-CG 3.78Å; H174-Y216 AromaticContact NE2-CD1 3.85Å; H174-Y216 AromaticContact NE2-CG 3.96Å; H174-E217 PolarHBondContact NE2-O 3.44Å
175	S	95.3	Very high	96.6	Very high	42 Å²	42	23.8 Å²	23.8	29%	0.294	14%	0.141	S	C	.	.	H	α-helix	trans	-58.3	-46.5	174.7	178.6	0	0	0	0	111.6	D171 C179	D171-S175 WeakPolarHBondContact O-CB 3.42Å; D171-S175 PolarHBondContact O-N 3.02Å; S175-C179 WeakPolarHBondContact O-CB 3.35Å; S175-C179 PolarHBondContact O-N 2.92Å; S175-C179 PolarHBondContact O-SG 3.26Å
176	F	96.3	Very high	96.7	Very high	1 Å²	1	23.8 Å²	23.8	0%	0.004	14%	0.141	C	C	.	.	H	α-helix	trans	-62.4	-51.6	179.7	175.3	-105.6	0	0	0	112.4	I61 L75 I80 R81 A84 L92 L172 L173 H174 C179 C180 L182 L386	I61-F176 HydrophobicContact CD1-CD1 4.09Å; I61-F176 HydrophobicContact CD1-CE1 3.85Å; L75-F176 HydrophobicContact CB-CB 3.97Å; L75-F176 HydrophobicContact CB-CD2 3.94Å; L75-F176 HydrophobicContact CB-CG 3.94Å; L75-F176 HydrophobicContact CD1-CB 4.3Å; L75-F176 HydrophobicContact CD1-CD1 4.43Å; L75-F176 HydrophobicContact CD1-CG 4.36Å; L75-F176 HydrophobicContact CD2-CD1 4.39Å; L75-F176 HydrophobicContact CD2-CD2 4.48Å; L75-F176 HydrophobicContact CD2-CE1 4.42Å; L75-F176 HydrophobicContact CD2-CE2 4.5Å; L75-F176 HydrophobicContact CD2-CG 4.41Å; L75-F176 HydrophobicContact CD2-CZ 4.45Å; L75-F176 HydrophobicContact CG-CG 4.47Å; L75-F176 VanDerWaalsContact O-CD2 3.27Å; L75-F176 WeakPolarHBondContact O-CD2 3.13Å; I80-F176 HydrophobicContact CG2-CE2 3.72Å; I80-F176 HydrophobicContact CG2-CZ 3.84Å; R81-F176 HydrophobicContact CG-CD2 3.95Å; R81-F176 HydrophobicContact CG-CE2 4.02Å; A84-F176 HydrophobicContact CB-CE1 4.32Å; A84-F176 HydrophobicContact CB-CE2 4.01Å; A84-F176 HydrophobicContact CB-CZ 3.47Å; A84-F176 VanDerWaalsContact CB-CZ 3.47Å; L92-F176 HydrophobicContact CD1-CE1 4.32Å; L92-F176 HydrophobicContact CD2-CD1 3.51Å; L92-F176 HydrophobicContact CD2-CE1 3.65Å; L172-F176 WeakPolarHBondContact O-CB 3.32Å; L172-F176 PolarHBondContact O-N 3.46Å; L173-F176 PolarHBondContact O-N 3.32Å; H174-F176 VanDerWaalsContact C-N 3.35Å; H174-F176 PolarHBondContact O-N 3.03Å; F176-C179 PolarHBondContact O-N 2.84Å; F176-C180 WeakPolarHBondContact O-CB 3.32Å; F176-C180 PolarHBondContact O-N 3.42Å; F176-C180 PolarHBondContact O-SG 3.05Å; F176-L182 HydrophobicContact CE1-CD1 4.4Å; F176-L386 HydrophobicContact CE1-CD2 4.39Å; F176-L386 HydrophobicContact CZ-CD2 4.14Å
177	S	97	Very high	96.8	Very high	3 Å²	3	23.3 Å²	23.3	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-61.1	-47.6	179.5	52.6	0	0	0	0	111.9	L173 H174 C179 C180 S181 L182	L173-S177 WeakPolarHBondContact O-CB 3.04Å; L173-S177 PolarHBondContact O-N 3.41Å; L173-S177 PolarHBondContact O-OG 3.13Å; H174-S177 WeakPolarHBondContact CA-OG 3.28Å; H174-S177 PolarHBondContact O-N 3.16Å; H174-S177 PolarHBondContact O-OG 3.28Å; S177-C179 PolarHBondContact O-N 3.36Å; S177-C180 CarbonylContact O-C 3.39Å; S177-C180 PolarHBondContact O-N 3.35Å; S177-S181 PolarHBondContact O-N 3.43Å; S177-L182 CarbonylContact C-O 3.49Å; S177-L182 WeakPolarHBondContact CB-O 3.1Å; S177-L182 PolarHBondContact O-N 3.49Å
178	S	95.3	Very high	96.9	Very high	60 Å²	60	21.8 Å²	21.8	42%	0.42	13%	0.132	S	C	.	.	H	α-helix	trans	-60.2	-43.7	176.9	-179.3	0	0	0	0	112.1	H174 C180 S181	H174-S178 VanDerWaalsContact O-CB 3.23Å; H174-S178 WeakPolarHBondContact O-CB 3.44Å; H174-S178 PolarHBondContact O-N 3.49Å; S178-C180 VanDerWaalsContact C-N 3.29Å; S178-C180 PolarHBondContact O-N 3.47Å; S178-S181 PolarHBondContact O-N 3.02Å
179	C	94.2	Very high	97.1	Very high	25 Å²	25	19 Å²	19	17%	0.169	12%	0.117	C	C	.	.	H	α-helix	trans	-69.1	-26.8	179.5	-72.1	0	0	0	0	114.1	C127 S175 F176 S177	C127-C179 WeakPolarHBondContact CA-SG 3.34Å; C127-C179 HydrophobicContact CB-CB 3.69Å; C127-C179 WeakPolarHBondContact CB-SG 3.39Å; C127-C179 WeakPolarHBondContact SG-CA 3.25Å; C127-C179 WeakPolarHBondContact SG-CB 3.4Å; C127-C179 CovalentContact SG-SG 2.03Å; C127-C179 PolarHBondContact SG-SG 2.8Å; S175-C179 WeakPolarHBondContact O-CB 3.35Å; S175-C179 PolarHBondContact O-N 2.92Å; S175-C179 PolarHBondContact O-SG 3.26Å; F176-C179 PolarHBondContact O-N 2.84Å; S177-C179 PolarHBondContact O-N 3.36Å
180	C	95.8	Very high	97.2	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	3.2	178.4	-56.8	0	0	0	0	112.7	A84 T85 F176 S177 S178 L182	A84-C180 HydrophobicContact CB-CB 4.02Å; T85-C180 WeakPolarHBondContact OG1-CA 3.36Å; F176-C180 WeakPolarHBondContact O-CB 3.32Å; F176-C180 PolarHBondContact O-N 3.42Å; F176-C180 PolarHBondContact O-SG 3.05Å; S177-C180 CarbonylContact O-C 3.39Å; S177-C180 PolarHBondContact O-N 3.35Å; S178-C180 VanDerWaalsContact C-N 3.29Å; S178-C180 PolarHBondContact O-N 3.47Å; C180-L182 VanDerWaalsContact C-N 3.3Å; C180-L182 HydrophobicContact CB-CD1 3.84Å; C180-L182 HydrophobicContact CB-CG 3.79Å; C180-L182 PolarHBondContact O-N 3.47Å
181	S	95.9	Very high	97.2	Very high	75 Å²	75	19.8 Å²	19.8	52%	0.524	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	48.7	-173.8	-56.2	0	0	0	0	112.1	S88 S177 S178	S88-S181 WeakPolarHBondContact OG-CB 3.38Å; S88-S181 PolarHBondContact OG-O 3.44Å; S177-S181 PolarHBondContact O-N 3.43Å; S178-S181 PolarHBondContact O-N 3.02Å
182	L	98.2	Very high	97.3	Very high	8 Å²	8	19.8 Å²	19.8	4%	0.042	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	143.2	176.4	-56.2	177.9	0	0	0	109.9	A84 A90 L92 F176 S177 C180 L184	A84-L182 HydrophobicContact CB-CD1 4.18Å; A90-L182 HydrophobicContact CB-CD2 3.83Å; A90-L182 CarbonylContact O-C 3.57Å; A90-L182 VanDerWaalsContact O-CA 3.31Å; A90-L182 WeakPolarHBondContact O-CA 3.27Å; L92-L182 HydrophobicContact CB-CB 3.97Å; L92-L182 HydrophobicContact CB-CD1 4.17Å; L92-L182 HydrophobicContact CD1-CD1 4.34Å; L92-L182 HydrophobicContact CD2-CD1 4.34Å; F176-L182 HydrophobicContact CE1-CD1 4.4Å; S177-L182 CarbonylContact C-O 3.49Å; S177-L182 WeakPolarHBondContact CB-O 3.1Å; S177-L182 PolarHBondContact O-N 3.49Å; C180-L182 VanDerWaalsContact C-N 3.3Å; C180-L182 HydrophobicContact CB-CD1 3.84Å; C180-L182 HydrophobicContact CB-CG 3.79Å; C180-L182 PolarHBondContact O-N 3.47Å; L182-L184 PolarHBondContact O-N 3.12Å
183	D	98.6	Very high	97.4	Very high	70 Å²	70	21.3 Å²	21.3	37%	0.374	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	106.6	-180	-65.1	-22.5	0	0	0	109.6	R55 A90 F91 L92 I185	R55-D183 WeakPolarHBondContact CD-OD2 3.47Å; R55-D183 IonicContact CZ-OD2 3.44Å; R55-D183 IonicContact NE-OD2 3.42Å; R55-D183 IonicContact NH1-OD2 2.74Å; R55-D183 PolarHBondContact NH1-OD2 3.34Å; A90-D183 PolarHBondContact O-N 3.38Å; F91-D183 CarbonylContact C-O 3.55Å; F91-D183 VanDerWaalsContact CA-O 3.31Å; F91-D183 WeakPolarHBondContact CA-O 3.48Å; F91-D183 HydrophobicContact CD1-CB 3.6Å; F91-D183 HydrophobicContact CE1-CB 3.97Å; F91-D183 HydrophobicContact CG-CB 4.46Å; L92-D183 PolarHBondContact N-O 2.69Å; D183-I185 PolarHBondContact O-N 3.28Å
184	L	98.8	Very high	97.5	Very high	5 Å²	5	23.7 Å²	23.7	3%	0.026	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	129.8	-177.1	-177.7	61.8	0	0	0	111.4	L92 F94 L173 L182 M218 S219	L92-L184 HydrophobicContact CD2-CD1 4.32Å; L92-L184 HydrophobicContact CG-CD1 4.5Å; L92-L184 WeakPolarHBondContact O-CA 3.25Å; L92-L184 WeakPolarHBondContact O-CD1 3.26Å; F94-L184 HydrophobicContact CB-CD1 4.37Å; L173-L184 HydrophobicContact CB-CD1 4.48Å; L173-L184 HydrophobicContact CB-CD2 4.09Å; L182-L184 PolarHBondContact O-N 3.12Å; L184-M218 HydrophobicContact CB-CB 4.01Å; L184-M218 HydrophobicContact CD2-CB 4.19Å; L184-M218 HydrophobicContact CD2-CE 4.22Å; L184-M218 HydrophobicContact CD2-SD 4.02Å; L184-M218 HydrophobicContact CG-CB 4.15Å; L184-M218 WeakPolarHBondContact O-CA 3.46Å; L184-M218 WeakPolarHBondContact O-CB 3.27Å; L184-S219 PolarHBondContact O-N 3.33Å
185	I	98.9	Very high	97.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	122.4	165	-53.4	173.9	0	0	0	107.2	F91 L92 R93 F94 D183 S219 E221 F265 W341 M382	F91-I185 HydrophobicContact CB-CD1 3.97Å; F91-I185 HydrophobicContact CB-CG1 4.49Å; F91-I185 HydrophobicContact CD1-CD1 3.61Å; F91-I185 HydrophobicContact CD1-CG1 3.86Å; F91-I185 HydrophobicContact CE1-CD1 4.22Å; F91-I185 HydrophobicContact CE1-CG1 4.5Å; F91-I185 HydrophobicContact CG-CD1 3.89Å; F91-I185 HydrophobicContact CG-CG1 4.49Å; L92-I185 PolarHBondContact O-N 3.08Å; R93-I185 WeakPolarHBondContact CA-O 3.46Å; R93-I185 HydrophobicContact CB-CB 4.35Å; R93-I185 HydrophobicContact CG-CB 4.38Å; R93-I185 HydrophobicContact CG-CG2 4.48Å; F94-I185 PolarHBondContact N-O 3.45Å; D183-I185 PolarHBondContact O-N 3.28Å; I185-S219 CarbonylContact C-O 3.47Å; I185-S219 WeakPolarHBondContact CA-O 3.35Å; I185-E221 HydrophobicContact CG2-CG 3.75Å; I185-F265 HydrophobicContact CD1-CD2 3.77Å; I185-F265 HydrophobicContact CD1-CE2 3.71Å; I185-F265 HydrophobicContact CG1-CD2 4.19Å; I185-F265 HydrophobicContact CG1-CE2 3.95Å; I185-F265 HydrophobicContact CG2-CD2 3.91Å; I185-F265 HydrophobicContact CG2-CE2 4.41Å; I185-W341 HydrophobicContact CD1-CZ3 4.2Å; I185-M382 HydrophobicContact CD1-CE 3.41Å; I185-M382 VanDerWaalsContact CD1-CE 3.41Å; I185-M382 HydrophobicContact CD1-SD 4.26Å
186	F	98.8	Very high	97.5	Very high	6 Å²	6	31.6 Å²	31.6	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	120	179.8	-165.7	-74.8	0	0	0	110.8	F94 F165 L173 L188 L207 M218 S219 W220 E221	F94-F186 AromaticContact CD1-CD2 3.81Å; F94-F186 HydrophobicContact CD1-CD2 3.81Å; F94-F186 HydrophobicContact CD1-CE1 4.46Å; F94-F186 AromaticContact CD1-CE2 3.48Å; F94-F186 HydrophobicContact CD1-CE2 3.48Å; F94-F186 VanDerWaalsContact CD1-CE2 3.48Å; F94-F186 HydrophobicContact CD1-CG 4.43Å; F94-F186 AromaticContact CD1-CZ 3.84Å; F94-F186 HydrophobicContact CD1-CZ 3.84Å; F94-F186 AromaticContact CE1-CE2 3.78Å; F94-F186 HydrophobicContact CE1-CE2 3.78Å; F94-F186 AromaticContact CE1-CZ 3.85Å; F94-F186 HydrophobicContact CE1-CZ 3.85Å; F94-F186 HydrophobicContact CG-CE2 4.47Å; F165-F186 HydrophobicContact CE2-CZ 4.01Å; F165-F186 HydrophobicContact CZ-CE1 4.33Å; F165-F186 AromaticContact CZ-CZ 3.87Å; F165-F186 HydrophobicContact CZ-CZ 3.87Å; L173-F186 HydrophobicContact CD1-CD2 4.1Å; L173-F186 HydrophobicContact CD1-CE2 3.77Å; F186-L188 HydrophobicContact CD1-CD2 4.33Å; F186-L207 HydrophobicContact CD1-CD2 4.17Å; F186-L207 HydrophobicContact CE1-CD2 3.78Å; F186-L207 HydrophobicContact CZ-CD2 4.22Å; F186-M218 HydrophobicContact CB-SD 4.03Å; F186-S219 PolarHBondContact N-O 3.26Å; F186-W220 HydrophobicContact CB-CE3 4.01Å; F186-W220 HydrophobicContact CB-CZ3 3.96Å; F186-W220 HydrophobicContact CD1-CE3 4.34Å; F186-W220 AromaticContact CD1-CZ3 3.97Å; F186-W220 HydrophobicContact CD1-CZ3 3.97Å; F186-W220 HydrophobicContact CG-CZ3 4.14Å; F186-W220 WeakPolarHBondContact O-CA 3.26Å; F186-E221 PolarHBondContact O-N 2.87Å
187	G	98.7	Very high	97.5	Very high	4 Å²	4	34 Å²	34	4%	0.041	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	124.4	175.7	0	0	0	0	0	113.2	F94 Q99	F94-G187 PolarHBondContact O-N 3.18Å; Q99-G187 VanDerWaalsContact CG-O 3.25Å; Q99-G187 WeakPolarHBondContact CG-O 3.47Å; Q99-G187 VanDerWaalsContact NE2-C 3.31Å; Q99-G187 VanDerWaalsContact NE2-CA 3.31Å
188	L	98.8	Very high	97.5	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.031	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	152.6	176	-63.1	170.5	0	0	0	111.6	Q99 F186 A190 A204 L207 W220 E221 L222 G223 L249	Q99-L188 PolarHBondContact NE2-O 2.93Å; F186-L188 HydrophobicContact CD1-CD2 4.33Å; L188-A190 PolarHBondContact O-N 3.06Å; L188-A204 HydrophobicContact CD1-CB 4.01Å; L188-A204 HydrophobicContact CD2-CB 4.08Å; L188-L207 HydrophobicContact CD2-CD2 3.86Å; L188-W220 HydrophobicContact CD1-CE3 4.04Å; L188-W220 HydrophobicContact CD2-CE3 3.82Å; L188-W220 HydrophobicContact CD2-CZ3 3.81Å; L188-W220 HydrophobicContact CG-CE3 3.88Å; L188-W220 HydrophobicContact CG-CZ3 4.4Å; L188-E221 VanDerWaalsContact CB-O 3.29Å; L188-E221 WeakPolarHBondContact CB-O 2.98Å; L188-E221 WeakPolarHBondContact CG-O 3.27Å; L188-E221 PolarHBondContact N-O 3.43Å; L188-L222 HydrophobicContact CB-CD1 3.86Å; L188-G223 PolarHBondContact O-N 2.87Å; L188-L249 HydrophobicContact CD1-CD1 3.79Å; L188-L249 HydrophobicContact CD1-CD2 3.75Å; L188-L249 HydrophobicContact CD1-CG 4.46Å
189	N	98.7	Very high	97.7	Very high	15 Å²	15	32 Å²	32	8%	0.08	20%	0.196	C	C	.	.			trans	-73.8	114.9	176.3	-175.8	-23.1	0	0	0	111.5	Q99 D100 M102 L191 L192 W199	Q99-N189 WeakPolarHBondContact O-CB 3.3Å; D100-N189 VanDerWaalsContact C-CG 3.44Å; D100-N189 VanDerWaalsContact O-CG 3.23Å; D100-N189 PolarHBondContact O-ND2 3.25Å; D100-N189 PolarHBondContact O-OD1 2.62Å; M102-N189 WeakPolarHBondContact O-CB 3.26Å; M102-N189 PolarHBondContact O-ND2 2.67Å; N189-L191 WeakPolarHBondContact OD1-CA 3.43Å; N189-L191 PolarHBondContact OD1-N 3.22Å; N189-L192 HydrophobicContact CB-CD1 4.45Å; N189-L192 HydrophobicContact CB-CG 4.35Å; N189-L192 PolarHBondContact OD1-N 3.09Å; N189-W199 PolarHBondContact O-NE1 3.03Å
190	A	98.6	Very high	97.9	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	20%	0.204	C	C	.	.	S	Bend	trans	-90.3	-7.7	176.2	0	0	0	0	0	113.8	D100 L188 R193 L222 G223 F229	D100-A190 PolarHBondContact OD1-N 3.12Å; L188-A190 PolarHBondContact O-N 3.06Å; A190-R193 PolarHBondContact O-NE 3.44Å; A190-R193 PolarHBondContact O-NH2 3.4Å; A190-L222 HydrophobicContact CB-CD1 3.8Å; A190-L222 HydrophobicContact CB-CG 4Å; A190-G223 VanDerWaalsContact CB-CA 3.46Å; A190-F229 HydrophobicContact CB-CE2 4.07Å; A190-F229 HydrophobicContact CB-CZ 4.02Å
191	L	98.4	Very high	98	Very high	18 Å²	18	34.1 Å²	34.1	9%	0.094	21%	0.206	C	C	.	.			trans	-88.8	0.4	178.1	-69.8	179.8	0	0	0	114.3	D100 F101 N189 R193 F229 A233 I235	D100-L191 HydrophobicContact CB-CB 4.36Å; D100-L191 HydrophobicContact CB-CD1 3.72Å; D100-L191 HydrophobicContact CB-CG 3.85Å; F101-L191 HydrophobicContact CE1-CD1 4.09Å; F101-L191 HydrophobicContact CE2-CD1 4.41Å; F101-L191 HydrophobicContact CZ-CD1 3.93Å; N189-L191 WeakPolarHBondContact OD1-CA 3.43Å; N189-L191 PolarHBondContact OD1-N 3.22Å; L191-R193 WeakPolarHBondContact O-CG 3.45Å; L191-R193 PolarHBondContact O-N 3.22Å; L191-F229 HydrophobicContact CD1-CD1 4.48Å; L191-F229 HydrophobicContact CD2-CB 4.09Å; L191-F229 HydrophobicContact CD2-CD1 4.16Å; L191-F229 HydrophobicContact CD2-CD2 3.62Å; L191-F229 HydrophobicContact CD2-CE1 4.49Å; L191-F229 HydrophobicContact CD2-CE2 3.99Å; L191-F229 HydrophobicContact CD2-CG 3.72Å; L191-F229 HydrophobicContact CD2-CZ 4.41Å; L191-F229 HydrophobicContact CG-CD1 4.41Å; L191-F229 HydrophobicContact CG-CD2 4.44Å; L191-F229 HydrophobicContact CG-CE1 4.4Å; L191-F229 HydrophobicContact CG-CE2 4.42Å; L191-F229 HydrophobicContact CG-CG 4.44Å; L191-F229 HydrophobicContact CG-CZ 4.4Å; L191-A233 HydrophobicContact CD1-CB 3.45Å; L191-A233 VanDerWaalsContact CD1-CB 3.45Å; L191-A233 HydrophobicContact CD2-CB 4.29Å; L191-I235 HydrophobicContact CD2-CB 4.15Å; L191-I235 HydrophobicContact CD2-CD1 4.31Å; L191-I235 HydrophobicContact CD2-CG2 4.3Å
192	L	98.2	Very high	98.1	Very high	42 Å²	42	33.8 Å²	33.8	22%	0.22	20%	0.204	C	C	.	.			trans	-71	97.5	165.4	-61.7	-178.8	0	0	0	109.4	V103 N189 N200 N203	V103-L192 HydrophobicContact CG2-CD2 4.16Å; N189-L192 HydrophobicContact CB-CD1 4.45Å; N189-L192 HydrophobicContact CB-CG 4.35Å; N189-L192 PolarHBondContact OD1-N 3.09Å; L192-N200 HydrophobicContact CB-CB 4.34Å; L192-N200 WeakPolarHBondContact O-CB 3.31Å; L192-N200 PolarHBondContact O-N 2.68Å; L192-N203 HydrophobicContact CD1-CB 3.46Å; L192-N203 VanDerWaalsContact CD1-CB 3.46Å
193	R	97.9	Very high	98.2	Very high	38 Å²	38	34.7 Å²	34.7	14%	0.143	21%	0.209	C	C	.	.	B	Isolated β-bridge	trans	-113.8	146.5	-171.6	-62.7	-70.4	164.6	-180	-10.3	112.7	A190 L191 N197 S198 I235 V237 D245	A190-R193 PolarHBondContact O-NE 3.44Å; A190-R193 PolarHBondContact O-NH2 3.4Å; L191-R193 WeakPolarHBondContact O-CG 3.45Å; L191-R193 PolarHBondContact O-N 3.22Å; R193-N197 WeakPolarHBondContact CD-O 3.21Å; R193-N197 WeakPolarHBondContact CD-OD1 3.22Å; R193-N197 PolarHBondContact NH1-O 3.2Å; R193-S198 WeakPolarHBondContact CA-O 3.37Å; R193-I235 HydrophobicContact CG-CD1 4.48Å; R193-I235 HydrophobicContact CG-CG2 4.28Å; R193-V237 VanDerWaalsContact CZ-CG2 3.46Å; R193-D245 IonicContact CZ-OD2 2.84Å; R193-D245 IonicContact NH1-OD1 2.65Å; R193-D245 IonicContact NH1-OD2 3.57Å; R193-D245 PolarHBondContact NH1-OD2 2.95Å; R193-D245 IonicContact NH2-OD2 3.2Å; R193-D245 PolarHBondContact NH2-OD2 3.08Å; R193-D245 VanDerWaalsContact NH2-OD2 3.11Å
194	T	97.8	Very high	98.2	Very high	50 Å²	50	31.6 Å²	31.6	31%	0.307	19%	0.192	S	C	.	.			trans	-84.2	173.6	166.1	49.6	0	0	0	0	110.7	D196 N197 S198 N200	T194-D196 VanDerWaalsContact CB-OD1 3.3Å; T194-D196 WeakPolarHBondContact CB-OD1 3.2Å; T194-D196 PolarHBondContact O-N 2.96Å; T194-D196 PolarHBondContact OG1-OD1 2.84Å; T194-N197 PolarHBondContact O-N 3.44Å; T194-S198 PolarHBondContact N-O 2.85Å; T194-S198 WeakPolarHBondContact OG1-CB 3.5Å; T194-S198 PolarHBondContact OG1-N 3.15Å; T194-S198 PolarHBondContact OG1-O 2.84Å; T194-S198 PolarHBondContact OG1-OG 2.68Å; T194-N200 HydrophobicContact CG2-CB 4.09Å
195	A	96.1	Very high	98.1	Very high	118 Å²	118	33.9 Å²	33.9	98%	0.975	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-27.2	-178.8	0	0	0	0	0	113.9	N197	A195-N197 VanDerWaalsContact C-N 3.3Å
196	D	96.1	Very high	98.1	Very high	120 Å²	120	36.2 Å²	36.2	64%	0.642	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	13.2	174.2	66	-17.4	0	0	0	113.1	T194 S198	T194-D196 VanDerWaalsContact CB-OD1 3.3Å; T194-D196 WeakPolarHBondContact CB-OD1 3.2Å; T194-D196 PolarHBondContact O-N 2.96Å; T194-D196 PolarHBondContact OG1-OD1 2.84Å; D196-S198 PolarHBondContact O-N 2.86Å; D196-S198 PolarHBondContact OD1-N 2.74Å; D196-S198 PolarHBondContact OD1-OG 2.89Å
197	N	96.5	Very high	98.1	Very high	52 Å²	52	36 Å²	36	28%	0.278	22%	0.216	S	C	.	.	S	Bend	trans	65.7	11.4	179.6	-158.1	31.5	0	0	0	115.5	R193 T194 A195 R236	R193-N197 WeakPolarHBondContact CD-O 3.21Å; R193-N197 WeakPolarHBondContact CD-OD1 3.22Å; R193-N197 PolarHBondContact NH1-O 3.2Å; T194-N197 PolarHBondContact O-N 3.44Å; A195-N197 VanDerWaalsContact C-N 3.3Å; N197-R236 PolarHBondContact ND2-O 3.03Å
198	S	97.8	Very high	98.1	Very high	20 Å²	20	35.8 Å²	35.8	14%	0.14	21%	0.214	C	C	.	.			trans	-70.7	154.6	168.8	91.6	0	0	0	0	111.3	R193 T194 D196 N200	R193-S198 WeakPolarHBondContact CA-O 3.37Å; T194-S198 PolarHBondContact N-O 2.85Å; T194-S198 WeakPolarHBondContact OG1-CB 3.5Å; T194-S198 PolarHBondContact OG1-N 3.15Å; T194-S198 PolarHBondContact OG1-O 2.84Å; T194-S198 PolarHBondContact OG1-OG 2.68Å; D196-S198 PolarHBondContact O-N 2.86Å; D196-S198 PolarHBondContact OD1-N 2.74Å; D196-S198 PolarHBondContact OD1-OG 2.89Å; S198-N200 PolarHBondContact O-N 3.47Å
199	W	98.6	Very high	98	Very high	1 Å²	1	42.1 Å²	42.1	0%	0.004	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-71.7	124.6	176.6	-180	59.7	0	0	0	112.7	N189 S201 A204 L222 D245 R248 L249	N189-W199 PolarHBondContact O-NE1 3.03Å; W199-S201 PolarHBondContact O-N 2.76Å; W199-A204 HydrophobicContact CH2-CB 3.56Å; W199-A204 HydrophobicContact CZ2-CB 3.54Å; W199-L222 HydrophobicContact CD2-CD1 4.21Å; W199-L222 HydrophobicContact CD2-CD2 4.04Å; W199-L222 HydrophobicContact CE3-CD2 4.05Å; W199-L222 HydrophobicContact CH2-CD1 4.27Å; W199-L222 HydrophobicContact CH2-CD2 4.46Å; W199-L222 HydrophobicContact CZ2-CD1 3.6Å; W199-L222 HydrophobicContact CZ2-CD2 4.42Å; W199-L222 HydrophobicContact CZ3-CD2 4.27Å; W199-D245 HydrophobicContact CB-CB 3.68Å; W199-D245 VanDerWaalsContact CB-OD1 3.28Å; W199-D245 WeakPolarHBondContact CB-OD1 3.13Å; W199-D245 HydrophobicContact CG-CB 4.36Å; W199-D245 PolarHBondContact N-OD1 2.8Å; W199-D245 VanDerWaalsContact N-OD1 3.09Å; W199-R248 PolarHBondContact O-NH1 3.3Å; W199-R248 VanDerWaalsContact O-NH1 3.09Å; W199-L249 HydrophobicContact CH2-CB 4.28Å; W199-L249 HydrophobicContact CH2-CD1 4.04Å; W199-L249 HydrophobicContact CZ3-CB 3.81Å; W199-L249 HydrophobicContact CZ3-CD1 4.33Å
200	N	98.6	Very high	98	Very high	61 Å²	61	43 Å²	43	33%	0.326	24%	0.24	S	C	.	.			trans	-81.4	92.5	172.1	-175.9	-9.4	0	0	0	110.4	L192 T194 S198 S202	L192-N200 HydrophobicContact CB-CB 4.34Å; L192-N200 WeakPolarHBondContact O-CB 3.31Å; L192-N200 PolarHBondContact O-N 2.68Å; T194-N200 HydrophobicContact CG2-CB 4.09Å; S198-N200 PolarHBondContact O-N 3.47Å; N200-S202 PolarHBondContact O-N 2.75Å; N200-S202 VanDerWaalsContact O-N 3.15Å; N200-S202 VanDerWaalsContact OD1-CB 3.31Å; N200-S202 WeakPolarHBondContact OD1-CB 3.36Å; N200-S202 PolarHBondContact OD1-N 2.59Å; N200-S202 PolarHBondContact OD1-OG 2.96Å
201	S	98.4	Very high	97.9	Very high	8 Å²	8	43 Å²	43	6%	0.056	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	5.3	-176.1	68.9	0	0	0	0	115.4	W199 R205 R248 M252	W199-S201 PolarHBondContact O-N 2.76Å; S201-R205 WeakPolarHBondContact O-CB 3.28Å; S201-R205 PolarHBondContact O-N 2.89Å; S201-R248 PolarHBondContact OG-NE 3.14Å; S201-R248 PolarHBondContact OG-NH2 3.39Å; S201-M252 WeakPolarHBondContact OG-CE 3.48Å
202	S	98.4	Very high	97.8	Very high	67 Å²	67	44 Å²	44	47%	0.469	25%	0.246	S	C	.	.	H	α-helix	trans	-65.3	-41	-173.9	57.8	0	0	0	0	113	N200 R205 S206	N200-S202 PolarHBondContact O-N 2.75Å; N200-S202 VanDerWaalsContact O-N 3.15Å; N200-S202 VanDerWaalsContact OD1-CB 3.31Å; N200-S202 WeakPolarHBondContact OD1-CB 3.36Å; N200-S202 PolarHBondContact OD1-N 2.59Å; N200-S202 PolarHBondContact OD1-OG 2.96Å; S202-R205 PolarHBondContact O-N 2.86Å; S202-S206 PolarHBondContact O-N 2.94Å; S202-S206 PolarHBondContact O-OG 3.4Å
203	N	98.6	Very high	97.7	Very high	28 Å²	28	45.8 Å²	45.8	15%	0.15	26%	0.262	C	S	.	.	H	α-helix	trans	-66.7	-47.6	178.7	-170.4	-106.2	0	0	0	111.9	V103 F104 L192 R205 S206 L207	V103-N203 WeakPolarHBondContact CG1-ND2 3.5Å; F104-N203 PolarHBondContact N-ND2 3.26Å; F104-N203 PolarHBondContact N-OD1 2.71Å; F104-N203 PolarHBondContact O-ND2 3.05Å; L192-N203 HydrophobicContact CD1-CB 3.46Å; L192-N203 VanDerWaalsContact CD1-CB 3.46Å; N203-R205 VanDerWaalsContact C-N 3.27Å; N203-R205 PolarHBondContact O-N 3.26Å; N203-S206 WeakPolarHBondContact O-CB 3.48Å; N203-S206 PolarHBondContact O-N 3.35Å; N203-L207 PolarHBondContact O-N 3.1Å
204	A	98.7	Very high	97.6	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.033	27%	0.271	C	S	.	.	H	α-helix	trans	-58.6	-38.3	175	0	0	0	0	0	112.2	L188 W199 S206 L207 L208	L188-A204 HydrophobicContact CD1-CB 4.01Å; L188-A204 HydrophobicContact CD2-CB 4.08Å; W199-A204 HydrophobicContact CH2-CB 3.56Å; W199-A204 HydrophobicContact CZ2-CB 3.54Å; A204-S206 VanDerWaalsContact C-N 3.33Å; A204-S206 PolarHBondContact O-N 3.24Å; A204-L207 PolarHBondContact O-N 3.01Å; A204-L208 WeakPolarHBondContact O-CB 3.36Å; A204-L208 WeakPolarHBondContact O-CG 3.48Å; A204-L208 PolarHBondContact O-N 3.39Å
205	R	98.5	Very high	97.5	Very high	53 Å²	53	51.2 Å²	51.2	20%	0.2	28%	0.284	C	S	.	.	H	α-helix	trans	-62.1	-39.1	174.7	-173.4	170.3	-80.7	-90.5	10.9	112.6	S201 S202 N203 R209 M252 E255	S201-R205 WeakPolarHBondContact O-CB 3.28Å; S201-R205 PolarHBondContact O-N 2.89Å; S202-R205 PolarHBondContact O-N 2.86Å; N203-R205 VanDerWaalsContact C-N 3.27Å; N203-R205 PolarHBondContact O-N 3.26Å; R205-R209 WeakPolarHBondContact O-CB 3.4Å; R205-R209 VanDerWaalsContact O-CG 3.3Å; R205-R209 WeakPolarHBondContact O-CG 3.35Å; R205-R209 PolarHBondContact O-N 3.21Å; R205-M252 HydrophobicContact CB-CE 4.06Å; R205-M252 HydrophobicContact CB-SD 3.58Å; R205-M252 VanDerWaalsContact CB-SD 3.58Å; R205-M252 HydrophobicContact CG-SD 4.07Å; R205-E255 IonicContact CZ-OE2 3.86Å; R205-E255 IonicContact NH1-OE2 3.37Å; R205-E255 PolarHBondContact NH1-OE2 2.97Å; R205-E255 VanDerWaalsContact NH2-CD 3.25Å; R205-E255 IonicContact NH2-OE1 2.97Å; R205-E255 PolarHBondContact NH2-OE1 3.25Å; R205-E255 IonicContact NH2-OE2 3.66Å; R205-E255 PolarHBondContact NH2-OE2 2.89Å
206	S	98.2	Very high	97.6	Very high	49 Å²	49	47.2 Å²	47.2	34%	0.343	24%	0.244	S	C	.	.	H	α-helix	trans	-65.1	-42.1	175.4	-63.6	0	0	0	0	111.5	S202 N203 A204 R209 Y210	S202-S206 PolarHBondContact O-N 2.94Å; S202-S206 PolarHBondContact O-OG 3.4Å; N203-S206 WeakPolarHBondContact O-CB 3.48Å; N203-S206 PolarHBondContact O-N 3.35Å; A204-S206 VanDerWaalsContact C-N 3.33Å; A204-S206 PolarHBondContact O-N 3.24Å; S206-R209 PolarHBondContact O-N 3.1Å; S206-Y210 PolarHBondContact O-N 3.34Å
207	L	98.4	Very high	97.6	Very high	2 Å²	2	48.1 Å²	48.1	1%	0.01	24%	0.244	C	C	.	.	H	α-helix	trans	-64.1	-48.5	175.8	-179.8	60.1	0	0	0	111.8	F104 F165 V170 F186 L188 N203 A204 R209 Y210 C211 W220	F104-L207 HydrophobicContact CB-CB 4.38Å; F104-L207 HydrophobicContact CD1-CB 3.88Å; F104-L207 HydrophobicContact CD1-CD1 4.23Å; F104-L207 HydrophobicContact CD2-CD1 4.07Å; F104-L207 HydrophobicContact CE1-CB 4.43Å; F104-L207 HydrophobicContact CE1-CD1 4.37Å; F104-L207 HydrophobicContact CE2-CD1 4.21Å; F104-L207 HydrophobicContact CG-CB 4.19Å; F104-L207 HydrophobicContact CG-CD1 4.08Å; F104-L207 HydrophobicContact CZ-CD1 4.36Å; F165-L207 HydrophobicContact CE2-CD1 4.35Å; F165-L207 HydrophobicContact CZ-CD2 4.19Å; V170-L207 HydrophobicContact CG1-CD1 4.42Å; V170-L207 HydrophobicContact CG2-CD1 3.6Å; F186-L207 HydrophobicContact CD1-CD2 4.17Å; F186-L207 HydrophobicContact CE1-CD2 3.78Å; F186-L207 HydrophobicContact CZ-CD2 4.22Å; L188-L207 HydrophobicContact CD2-CD2 3.86Å; N203-L207 PolarHBondContact O-N 3.1Å; A204-L207 PolarHBondContact O-N 3.01Å; L207-R209 VanDerWaalsContact C-N 3.29Å; L207-R209 PolarHBondContact O-N 3.44Å; L207-Y210 WeakPolarHBondContact O-CB 3.48Å; L207-Y210 PolarHBondContact O-N 3.49Å; L207-Y210 VanDerWaalsContact O-N 3.08Å; L207-C211 PolarHBondContact O-N 2.95Å; L207-C211 PolarHBondContact O-SG 2.98Å; L207-W220 HydrophobicContact CD2-CH2 4.36Å; L207-W220 HydrophobicContact CD2-CZ3 3.93Å; L207-W220 HydrophobicContact CG-CH2 4.26Å; L207-W220 HydrophobicContact CG-CZ3 4.31Å
208	L	98.3	Very high	97.6	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-56.7	-41.8	176.3	-74.8	167.5	0	0	0	112	A204 C211 D212 W220 L249 M252 M253 F256 Y259	A204-L208 WeakPolarHBondContact O-CB 3.36Å; A204-L208 WeakPolarHBondContact O-CG 3.48Å; A204-L208 PolarHBondContact O-N 3.39Å; L208-C211 PolarHBondContact O-N 3.23Å; L208-D212 VanDerWaalsContact O-CB 3.23Å; L208-D212 WeakPolarHBondContact O-CB 3.45Å; L208-D212 PolarHBondContact O-N 2.91Å; L208-W220 HydrophobicContact CD2-CD2 4.07Å; L208-W220 VanDerWaalsContact CD2-CE2 3.43Å; L208-W220 HydrophobicContact CD2-CH2 3.88Å; L208-W220 HydrophobicContact CD2-CZ2 3.34Å; L208-W220 HydrophobicContact CD2-CZ3 4.45Å; L208-W220 HydrophobicContact CG-CZ2 4.42Å; L208-L249 HydrophobicContact CD1-CD1 4.41Å; L208-M252 HydrophobicContact CD1-CG 4Å; L208-M252 HydrophobicContact CD1-SD 3.79Å; L208-M253 HydrophobicContact CD1-CG 4.42Å; L208-F256 HydrophobicContact CB-CD2 4.3Å; L208-F256 HydrophobicContact CB-CE1 4.46Å; L208-F256 HydrophobicContact CB-CE2 3.85Å; L208-F256 HydrophobicContact CB-CZ 3.94Å; L208-F256 HydrophobicContact CD1-CE2 4.17Å; L208-Y259 HydrophobicContact CD2-CD2 3.59Å; L208-Y259 HydrophobicContact CD2-CE2 3.84Å; L208-Y259 HydrophobicContact CD2-CG 4.12Å
209	R	97.7	Very high	97.7	Very high	139 Å²	139	46.2 Å²	46.2	53%	0.525	23%	0.234	S	C	.	.	H	α-helix	trans	-61.8	-44.1	174.6	-78.2	171.4	-179.8	155.6	-3.3	112.3	R205 S206 L207 S213 F256	R205-R209 WeakPolarHBondContact O-CB 3.4Å; R205-R209 VanDerWaalsContact O-CG 3.3Å; R205-R209 WeakPolarHBondContact O-CG 3.35Å; R205-R209 PolarHBondContact O-N 3.21Å; S206-R209 PolarHBondContact O-N 3.1Å; L207-R209 VanDerWaalsContact C-N 3.29Å; L207-R209 PolarHBondContact O-N 3.44Å; R209-S213 WeakPolarHBondContact O-CB 3.32Å; R209-S213 PolarHBondContact O-N 3.01Å; R209-F256 HydrophobicContact CB-CE1 4.31Å; R209-F256 HydrophobicContact CG-CE1 3.56Å; R209-F256 HydrophobicContact CG-CZ 3.72Å
210	Y	97.6	Very high	97.7	Very high	32 Å²	32	46.2 Å²	46.2	13%	0.125	23%	0.234	C	C	.	.	H	α-helix	trans	-60.8	-52.2	177.3	174.5	-105	0	0	0	110.8	F104 E167 V170 D171 S206 L207 D212 S213 K214 Y216	F104-Y210 HydrophobicContact CZ-CD1 4.22Å; F104-Y210 HydrophobicContact CZ-CG 4.04Å; E167-Y210 HydrophobicContact CB-CE1 4.09Å; E167-Y210 HydrophobicContact CB-CE2 3.99Å; E167-Y210 WeakPolarHBondContact CB-OH 3.37Å; E167-Y210 HydrophobicContact CG-CD1 4.47Å; E167-Y210 HydrophobicContact CG-CD2 3.84Å; E167-Y210 HydrophobicContact CG-CE1 4.03Å; E167-Y210 HydrophobicContact CG-CE2 3.31Å; E167-Y210 HydrophobicContact CG-CG 4.39Å; E167-Y210 VanDerWaalsContact CG-CZ 3.43Å; V170-Y210 HydrophobicContact CB-CD1 4.48Å; V170-Y210 HydrophobicContact CB-CE1 4.09Å; V170-Y210 HydrophobicContact CG1-CD1 4.2Å; V170-Y210 HydrophobicContact CG1-CE1 4.02Å; D171-Y210 WeakPolarHBondContact OD1-CE1 3.46Å; D171-Y210 PolarHBondContact OD1-OH 3.03Å; D171-Y210 PolarHBondContact OD2-OH 2.76Å; D171-Y210 VanDerWaalsContact OD2-OH 3.07Å; S206-Y210 PolarHBondContact O-N 3.34Å; L207-Y210 WeakPolarHBondContact O-CB 3.48Å; L207-Y210 PolarHBondContact O-N 3.49Å; L207-Y210 VanDerWaalsContact O-N 3.08Å; Y210-D212 PolarHBondContact O-N 3.19Å; Y210-S213 WeakPolarHBondContact O-CB 3.41Å; Y210-S213 PolarHBondContact O-N 3.48Å; Y210-S213 VanDerWaalsContact O-N 3.15Å; Y210-S213 PolarHBondContact O-OG 2.83Å; Y210-K214 HydrophobicContact CE1-CG 4.28Å; Y210-K214 HydrophobicContact CE2-CG 4.07Å; Y210-K214 PolarHBondContact O-N 3.46Å; Y210-K214 VanDerWaalsContact O-N 3.13Å; Y210-K214 WeakPolarHBondContact OH-CE 3Å; Y210-Y216 HydrophobicContact CE1-CE2 4.48Å
211	C	97.6	Very high	97.7	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.007	22%	0.218	C	C	.	.	H	α-helix	trans	-64.5	-37.9	-178.9	-58.5	0	0	0	0	112.8	V170 L207 L208 K214 Q215 Y216 M218 Y259	V170-C211 VanDerWaalsContact CG1-SG 3.54Å; L207-C211 PolarHBondContact O-N 2.95Å; L207-C211 PolarHBondContact O-SG 2.98Å; L208-C211 PolarHBondContact O-N 3.23Å; C211-K214 CarbonylContact O-C 3.48Å; C211-K214 PolarHBondContact O-N 3.42Å; C211-Q215 PolarHBondContact O-N 2.74Å; C211-Y216 PolarHBondContact O-N 3.08Å; C211-M218 HydrophobicContact CB-CE 4.12Å; C211-Y259 VanDerWaalsContact C-OH 3.31Å; C211-Y259 HydrophobicContact CB-CE2 4.35Å; C211-Y259 WeakPolarHBondContact CB-OH 3.27Å
212	D	96.3	Very high	97.7	Very high	40 Å²	40	42.9 Å²	42.9	21%	0.214	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-42.3	172.7	-173.5	82.2	0	0	0	111	L208 Y210 K214 Q215 F256 L258 Y259	L208-D212 VanDerWaalsContact O-CB 3.23Å; L208-D212 WeakPolarHBondContact O-CB 3.45Å; L208-D212 PolarHBondContact O-N 2.91Å; Y210-D212 PolarHBondContact O-N 3.19Å; D212-K214 PolarHBondContact O-N 2.77Å; D212-Q215 PolarHBondContact O-N 3.18Å; D212-Q215 PolarHBondContact O-NE2 2.92Å; D212-F256 HydrophobicContact CB-CD1 3.84Å; D212-L258 WeakPolarHBondContact OD1-CB 3.33Å; D212-Y259 HydrophobicContact CB-CE2 4.04Å
213	S	95.9	Very high	97.7	Very high	79 Å²	79	39.7 Å²	39.7	55%	0.552	19%	0.193	S	C	*	.	H	α-helix	trans	-61.3	-28	175.6	80	0	0	0	0	113.6	R209 Y210	R209-S213 WeakPolarHBondContact O-CB 3.32Å; R209-S213 PolarHBondContact O-N 3.01Å; Y210-S213 WeakPolarHBondContact O-CB 3.41Å; Y210-S213 PolarHBondContact O-N 3.48Å; Y210-S213 VanDerWaalsContact O-N 3.15Å; Y210-S213 PolarHBondContact O-OG 2.83Å
214	K	95.6	Very high	97.7	Very high	78 Å²	78	38.4 Å²	38.4	34%	0.339	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-3.1	176.2	-66.6	-69.7	-171.1	163.3	0	113.7	Y210 C211 D212 Y216	Y210-K214 HydrophobicContact CE1-CG 4.28Å; Y210-K214 HydrophobicContact CE2-CG 4.07Å; Y210-K214 PolarHBondContact O-N 3.46Å; Y210-K214 VanDerWaalsContact O-N 3.13Å; Y210-K214 WeakPolarHBondContact OH-CE 3Å; C211-K214 CarbonylContact O-C 3.48Å; C211-K214 PolarHBondContact O-N 3.42Å; D212-K214 PolarHBondContact O-N 2.77Å; K214-Y216 VanDerWaalsContact C-N 3.29Å; K214-Y216 HydrophobicContact CB-CD1 3.67Å; K214-Y216 HydrophobicContact CB-CD2 3.85Å; K214-Y216 HydrophobicContact CB-CE1 3.62Å; K214-Y216 HydrophobicContact CB-CE2 3.78Å; K214-Y216 HydrophobicContact CB-CG 3.8Å; K214-Y216 HydrophobicContact CG-CE1 4.47Å; K214-Y216 HydrophobicContact CG-CE2 4.08Å; K214-Y216 WeakPolarHBondContact O-CD1 3.44Å; K214-Y216 PolarHBondContact O-N 2.88Å
215	Q	96.1	Very high	97.6	Very high	123 Å²	123	39.7 Å²	39.7	58%	0.575	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	41	-173.9	-59.8	-68.6	-73.4	0	0	112.8	C211 D212 E217	C211-Q215 PolarHBondContact O-N 2.74Å; D212-Q215 PolarHBondContact O-N 3.18Å; D212-Q215 PolarHBondContact O-NE2 2.92Å; Q215-E217 PolarHBondContact O-N 2.87Å
216	Y	96.9	Very high	97.5	Very high	34 Å²	34	37.2 Å²	37.2	13%	0.133	18%	0.182	C	C	.	.			trans	-84.1	103.1	180	-70.6	-10.6	0	0	0	112.1	V170 D171 H174 Y210 C211 K214 M218 L258 Y259	V170-Y216 HydrophobicContact CG1-CD2 4.14Å; V170-Y216 HydrophobicContact CG1-CE2 4.29Å; D171-Y216 WeakPolarHBondContact OD1-CE2 3.2Å; D171-Y216 PolarHBondContact OD1-OH 3.11Å; H174-Y216 HydrophobicContact CB-CD1 4.35Å; H174-Y216 HydrophobicContact CB-CD2 3.88Å; H174-Y216 HydrophobicContact CB-CE1 4.4Å; H174-Y216 HydrophobicContact CB-CE2 3.96Å; H174-Y216 HydrophobicContact CB-CG 4.08Å; H174-Y216 AromaticContact CD2-CD1 3.92Å; H174-Y216 AromaticContact CD2-CG 3.66Å; H174-Y216 AromaticContact CE1-CD1 3.46Å; H174-Y216 VanDerWaalsContact CE1-CD1 3.46Å; H174-Y216 WeakPolarHBondContact CE1-CD1 3.09Å; H174-Y216 AromaticContact CE1-CE1 4Å; H174-Y216 AromaticContact CG-CD1 3.55Å; H174-Y216 AromaticContact CG-CD2 3.85Å; H174-Y216 AromaticContact CG-CE1 3.91Å; H174-Y216 AromaticContact CG-CG 3.51Å; H174-Y216 AromaticContact ND1-CD1 3.27Å; H174-Y216 VanDerWaalsContact ND1-CD1 3.27Å; H174-Y216 WeakPolarHBondContact ND1-CD1 3.36Å; H174-Y216 AromaticContact ND1-CE1 3.43Å; H174-Y216 WeakPolarHBondContact ND1-CE1 3.4Å; H174-Y216 AromaticContact ND1-CG 3.78Å; H174-Y216 AromaticContact NE2-CD1 3.85Å; H174-Y216 AromaticContact NE2-CG 3.96Å; Y210-Y216 HydrophobicContact CE1-CE2 4.48Å; C211-Y216 PolarHBondContact O-N 3.08Å; K214-Y216 VanDerWaalsContact C-N 3.29Å; K214-Y216 HydrophobicContact CB-CD1 3.67Å; K214-Y216 HydrophobicContact CB-CD2 3.85Å; K214-Y216 HydrophobicContact CB-CE1 3.62Å; K214-Y216 HydrophobicContact CB-CE2 3.78Å; K214-Y216 HydrophobicContact CB-CG 3.8Å; K214-Y216 HydrophobicContact CG-CE1 4.47Å; K214-Y216 HydrophobicContact CG-CE2 4.08Å; K214-Y216 WeakPolarHBondContact O-CD1 3.44Å; K214-Y216 PolarHBondContact O-N 2.88Å; Y216-M218 HydrophobicContact CD2-CE 4.15Å; Y216-M218 HydrophobicContact CG-CE 4.3Å; Y216-M218 PolarHBondContact O-N 3.21Å; Y216-L258 WeakPolarHBondContact O-CD2 3.26Å; Y216-Y259 WeakPolarHBondContact O-CE1 3.4Å; Y216-Y259 PolarHBondContact O-OH 2.85Å
217	E	96.4	Very high	97.4	Very high	139 Å²	139	36.6 Å²	36.6	65%	0.65	18%	0.175	S	C	*	.			trans	-70	118	171	-68.5	175.5	-166.9	0	0	110.3	H174 Q215 L258	H174-E217 PolarHBondContact NE2-O 3.44Å; Q215-E217 PolarHBondContact O-N 2.87Å; E217-L258 HydrophobicContact CG-CD1 3.74Å
218	M	97.5	Very high	97.1	Very high	12 Å²	12	38 Å²	38	6%	0.059	19%	0.186	C	C	.	.			trans	-159.9	162.6	174.3	67.1	-175.2	84.7	0	0	110	V170 L184 F186 C211 Y216 W220 Y259	V170-M218 HydrophobicContact CG1-CE 4.46Å; L184-M218 HydrophobicContact CB-CB 4.01Å; L184-M218 HydrophobicContact CD2-CB 4.19Å; L184-M218 HydrophobicContact CD2-CE 4.22Å; L184-M218 HydrophobicContact CD2-SD 4.02Å; L184-M218 HydrophobicContact CG-CB 4.15Å; L184-M218 WeakPolarHBondContact O-CA 3.46Å; L184-M218 WeakPolarHBondContact O-CB 3.27Å; F186-M218 HydrophobicContact CB-SD 4.03Å; C211-M218 HydrophobicContact CB-CE 4.12Å; Y216-M218 HydrophobicContact CD2-CE 4.15Å; Y216-M218 HydrophobicContact CG-CE 4.3Å; Y216-M218 PolarHBondContact O-N 3.21Å; M218-W220 HydrophobicContact CG-CH2 4.22Å; M218-W220 HydrophobicContact CG-CZ2 3.67Å; M218-W220 HydrophobicContact SD-CH2 3.72Å; M218-W220 HydrophobicContact SD-CZ2 3.8Å; M218-W220 HydrophobicContact SD-CZ3 4.32Å; M218-Y259 HydrophobicContact CG-CE1 4.34Å
219	S	98.8	Very high	97	Very high	21 Å²	21	38.1 Å²	38.1	15%	0.147	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	171.6	173.4	-60.5	0	0	0	0	111.1	L184 I185 F186 G263 F265	L184-S219 PolarHBondContact O-N 3.33Å; I185-S219 CarbonylContact C-O 3.47Å; I185-S219 WeakPolarHBondContact CA-O 3.35Å; F186-S219 PolarHBondContact N-O 3.26Å; S219-G263 WeakPolarHBondContact CA-O 3.44Å; S219-G263 WeakPolarHBondContact CB-O 3.22Å; S219-G263 WeakPolarHBondContact OG-CA 3.4Å; S219-G263 PolarHBondContact OG-N 2.93Å; S219-F265 VanDerWaalsContact CB-CE2 3.46Å
220	W	98.9	Very high	96.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	151.5	-168.6	-55.9	88.1	0	0	0	112.6	F186 L188 L207 L208 M218 M253 Y259 G263 L264 F265	F186-W220 HydrophobicContact CB-CE3 4.01Å; F186-W220 HydrophobicContact CB-CZ3 3.96Å; F186-W220 HydrophobicContact CD1-CE3 4.34Å; F186-W220 AromaticContact CD1-CZ3 3.97Å; F186-W220 HydrophobicContact CD1-CZ3 3.97Å; F186-W220 HydrophobicContact CG-CZ3 4.14Å; F186-W220 WeakPolarHBondContact O-CA 3.26Å; L188-W220 HydrophobicContact CD1-CE3 4.04Å; L188-W220 HydrophobicContact CD2-CE3 3.82Å; L188-W220 HydrophobicContact CD2-CZ3 3.81Å; L188-W220 HydrophobicContact CG-CE3 3.88Å; L188-W220 HydrophobicContact CG-CZ3 4.4Å; L207-W220 HydrophobicContact CD2-CH2 4.36Å; L207-W220 HydrophobicContact CD2-CZ3 3.93Å; L207-W220 HydrophobicContact CG-CH2 4.26Å; L207-W220 HydrophobicContact CG-CZ3 4.31Å; L208-W220 HydrophobicContact CD2-CD2 4.07Å; L208-W220 VanDerWaalsContact CD2-CE2 3.43Å; L208-W220 HydrophobicContact CD2-CH2 3.88Å; L208-W220 HydrophobicContact CD2-CZ2 3.34Å; L208-W220 HydrophobicContact CD2-CZ3 4.45Å; L208-W220 HydrophobicContact CG-CZ2 4.42Å; M218-W220 HydrophobicContact CG-CH2 4.22Å; M218-W220 HydrophobicContact CG-CZ2 3.67Å; M218-W220 HydrophobicContact SD-CH2 3.72Å; M218-W220 HydrophobicContact SD-CZ2 3.8Å; M218-W220 HydrophobicContact SD-CZ3 4.32Å; W220-M253 HydrophobicContact CB-SD 4.43Å; W220-M253 VanDerWaalsContact CD1-CE 3.44Å; W220-M253 HydrophobicContact CG-CE 4.23Å; W220-M253 HydrophobicContact CG-SD 4.42Å; W220-Y259 HydrophobicContact CZ2-CD1 4.43Å; W220-Y259 AromaticContact CZ2-CE1 3.95Å; W220-Y259 HydrophobicContact CZ2-CE1 3.95Å; W220-Y259 HydrophobicContact CZ2-CE2 4.22Å; W220-Y259 AromaticContact CZ2-CZ 3.85Å; W220-Y259 AromaticContact NE1-CD1 3.41Å; W220-Y259 AromaticContact NE1-CE1 3.69Å; W220-Y259 AromaticContact NE1-CG 3.88Å; W220-G263 PolarHBondContact N-O 3.33Å; W220-L264 HydrophobicContact CB-CD1 4.08Å; W220-L264 CarbonylContact O-C 3.55Å; W220-L264 VanDerWaalsContact O-CA 3.3Å; W220-L264 WeakPolarHBondContact O-CA 3.39Å; W220-L264 WeakPolarHBondContact O-CD1 3.21Å; W220-F265 PolarHBondContact O-N 2.79Å
221	E	98.9	Very high	96.5	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	167.4	165.1	-76.6	167	-170.5	0	0	109	R93 I185 F186 L188 F265 D268	R93-E221 IonicContact CZ-OE2 3.56Å; R93-E221 IonicContact NE-OE1 3.88Å; R93-E221 IonicContact NE-OE2 3.12Å; R93-E221 PolarHBondContact NE-OE2 3.2Å; R93-E221 IonicContact NH2-OE2 3.49Å; R93-E221 PolarHBondContact NH2-OE2 3.07Å; I185-E221 HydrophobicContact CG2-CG 3.75Å; F186-E221 PolarHBondContact O-N 2.87Å; L188-E221 VanDerWaalsContact CB-O 3.29Å; L188-E221 WeakPolarHBondContact CB-O 2.98Å; L188-E221 WeakPolarHBondContact CG-O 3.27Å; L188-E221 PolarHBondContact N-O 3.43Å; E221-F265 WeakPolarHBondContact CA-O 3.45Å; E221-F265 HydrophobicContact CG-CB 3.94Å; E221-F265 WeakPolarHBondContact CG-O 3.4Å; E221-D268 VanDerWaalsContact CD-OD2 3.31Å; E221-D268 WeakPolarHBondContact CG-OD2 3.19Å
222	L	98.9	Very high	96.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	109.2	174.7	176.1	64	0	0	0	110.7	L188 A190 W199 D245 F246 L249	L188-L222 HydrophobicContact CB-CD1 3.86Å; A190-L222 HydrophobicContact CB-CD1 3.8Å; A190-L222 HydrophobicContact CB-CG 4Å; W199-L222 HydrophobicContact CD2-CD1 4.21Å; W199-L222 HydrophobicContact CD2-CD2 4.04Å; W199-L222 HydrophobicContact CE3-CD2 4.05Å; W199-L222 HydrophobicContact CH2-CD1 4.27Å; W199-L222 HydrophobicContact CH2-CD2 4.46Å; W199-L222 HydrophobicContact CZ2-CD1 3.6Å; W199-L222 HydrophobicContact CZ2-CD2 4.42Å; W199-L222 HydrophobicContact CZ3-CD2 4.27Å; L222-D245 HydrophobicContact CD2-CB 4.01Å; L222-F246 HydrophobicContact CB-CD2 4.24Å; L222-F246 HydrophobicContact CB-CE1 4.12Å; L222-F246 HydrophobicContact CB-CE2 3.73Å; L222-F246 HydrophobicContact CB-CZ 3.66Å; L222-F246 HydrophobicContact CD2-CD2 4.03Å; L222-F246 HydrophobicContact CD2-CE2 4.24Å; L222-F246 HydrophobicContact CG-CD2 4.44Å; L222-F246 HydrophobicContact CG-CE2 4.15Å; L222-F246 WeakPolarHBondContact O-CE2 3.31Å; L222-F246 VanDerWaalsContact O-CZ 3.23Å; L222-F246 WeakPolarHBondContact O-CZ 3.38Å; L222-L249 HydrophobicContact CB-CD2 3.82Å; L222-L249 HydrophobicContact CD2-CD2 4.17Å; L222-L249 HydrophobicContact CG-CD2 4.48Å
223	G	98.5	Very high	96.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.216	C	C	.	.			trans	85.8	157.6	-176.2	0	0	0	0	0	114.2	Q99 D100 L188 A190	Q99-G223 PolarHBondContact NE2-O 3.3Å; D100-G223 WeakPolarHBondContact OD1-CA 3.45Å; L188-G223 PolarHBondContact O-N 2.87Å; A190-G223 VanDerWaalsContact CB-CA 3.46Å
224	N	98.4	Very high	96	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.221	C	C	.	.	S	Bend	trans	-135.8	115.3	176.5	-178.2	92.4	0	0	0	111.1	R93 G96 T97 Q99 D100 F229 H297 E344	R93-N224 PolarHBondContact NH1-OD1 3.3Å; R93-N224 PolarHBondContact NH2-OD1 2.77Å; G96-N224 VanDerWaalsContact C-ND2 3.34Å; G96-N224 WeakPolarHBondContact CA-OD1 3.46Å; G96-N224 PolarHBondContact N-OD1 2.93Å; G96-N224 WeakPolarHBondContact O-CB 3.49Å; T97-N224 PolarHBondContact N-ND2 3.22Å; Q99-N224 HydrophobicContact CB-CB 4.47Å; D100-N224 PolarHBondContact OD2-N 3.18Å; N224-F229 WeakPolarHBondContact O-CE1 3.3Å; N224-H297 PolarHBondContact OD1-CE1 2.82Å; N224-H297 VanDerWaalsContact OD1-CE1 3.29Å; N224-E344 PolarHBondContact OD1-OE2 2.76Å
225	E	96.9	Very high	96	Very high	32 Å²	32	40.4 Å²	40.4	15%	0.15	22%	0.218	C	C	.	.			trans	50.1	61	-174.6	-55.4	-179.3	142.2	0	0	112.9	N227 S228 K232 D268 H297	E225-N227 VanDerWaalsContact C-OD1 3.27Å; E225-N227 WeakPolarHBondContact CA-OD1 3.43Å; E225-N227 PolarHBondContact O-N 3.37Å; E225-S228 PolarHBondContact O-N 2.86Å; E225-K232 IonicContact OE2-NZ 3.89Å; E225-K232 PolarHBondContact OE2-NZ 3.45Å; E225-D268 WeakPolarHBondContact CA-O 3.31Å; E225-D268 PolarHBondContact N-O 2.84Å; E225-H297 WeakPolarHBondContact CG-ND1 3.43Å; E225-H297 IonicContact OE1-ND1 3.67Å
226	P	96.7	Very high	95.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-57.4	-22	-178.8	25.6	-36.9	0	0	0	113.5	S228 F229 L242 P267 V269 L279	P226-S228 PolarHBondContact O-N 3.09Å; P226-S228 VanDerWaalsContact O-N 3.12Å; P226-F229 HydrophobicContact CB-CD2 3.96Å; P226-F229 HydrophobicContact CB-CE1 4.4Å; P226-F229 HydrophobicContact CB-CE2 3.65Å; P226-F229 HydrophobicContact CB-CG 4.47Å; P226-F229 HydrophobicContact CB-CZ 3.9Å; P226-F229 PolarHBondContact O-N 3.09Å; P226-L242 HydrophobicContact CB-CD2 3.82Å; P226-L242 HydrophobicContact CG-CD2 3.59Å; P226-P267 VanDerWaalsContact CD-O 3.28Å; P226-P267 WeakPolarHBondContact CD-O 3.31Å; P226-V269 HydrophobicContact CG-CG1 4.08Å; P226-L279 HydrophobicContact CB-CD1 3.99Å; P226-L279 HydrophobicContact CG-CD1 3.99Å; P226-L279 HydrophobicContact CG-CD2 3.99Å
227	N	94.7	Very high	95.9	Very high	36 Å²	36	38.5 Å²	38.5	19%	0.193	21%	0.205	C	C	.	.	G	3₁₀ helix	trans	-58.2	-20.3	171.6	53.3	-73.3	0	0	0	113.4	E225 G270 R276 L279	E225-N227 VanDerWaalsContact C-OD1 3.27Å; E225-N227 WeakPolarHBondContact CA-OD1 3.43Å; E225-N227 PolarHBondContact O-N 3.37Å; N227-G270 PolarHBondContact OD1-N 2.99Å; N227-R276 HydrophobicContact CB-CB 4.07Å; N227-L279 VanDerWaalsContact CA-CD1 3.49Å; N227-L279 HydrophobicContact CB-CD1 3.93Å; N227-L279 VanDerWaalsContact N-CD1 3.27Å
228	S	93.6	Very high	95.8	Very high	33 Å²	33	35.5 Å²	35.5	23%	0.231	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-111	3.7	-178.6	-68.1	0	0	0	0	113.8	E225 P226 E230 K231 K232	E225-S228 PolarHBondContact O-N 2.86Å; P226-S228 PolarHBondContact O-N 3.09Å; P226-S228 VanDerWaalsContact O-N 3.12Å; S228-E230 VanDerWaalsContact C-N 3.29Å; S228-E230 PolarHBondContact O-N 2.6Å; S228-K231 WeakPolarHBondContact O-CB 3.34Å; S228-K231 PolarHBondContact O-N 2.77Å; S228-K231 VanDerWaalsContact O-N 3.08Å; S228-K232 WeakPolarHBondContact O-CG 3.47Å; S228-K232 PolarHBondContact O-N 2.72Å
229	F	94.9	Very high	95.8	Very high	1 Å²	1	34.9 Å²	34.9	0%	0.004	19%	0.191	C	C	.	.	H	α-helix	trans	-56.8	-38.5	-179.3	-74.3	-10.1	0	0	0	113.9	D100 A190 L191 N224 P226 K231 K232 A233 G234 I235 V237	D100-F229 HydrophobicContact CB-CE1 4.3Å; D100-F229 VanDerWaalsContact OD2-CE1 3.22Å; D100-F229 WeakPolarHBondContact OD2-CE1 3.38Å; A190-F229 HydrophobicContact CB-CE2 4.07Å; A190-F229 HydrophobicContact CB-CZ 4.02Å; L191-F229 HydrophobicContact CD1-CD1 4.48Å; L191-F229 HydrophobicContact CD2-CB 4.09Å; L191-F229 HydrophobicContact CD2-CD1 4.16Å; L191-F229 HydrophobicContact CD2-CD2 3.62Å; L191-F229 HydrophobicContact CD2-CE1 4.49Å; L191-F229 HydrophobicContact CD2-CE2 3.99Å; L191-F229 HydrophobicContact CD2-CG 3.72Å; L191-F229 HydrophobicContact CD2-CZ 4.41Å; L191-F229 HydrophobicContact CG-CD1 4.41Å; L191-F229 HydrophobicContact CG-CD2 4.44Å; L191-F229 HydrophobicContact CG-CE1 4.4Å; L191-F229 HydrophobicContact CG-CE2 4.42Å; L191-F229 HydrophobicContact CG-CG 4.44Å; L191-F229 HydrophobicContact CG-CZ 4.4Å; N224-F229 WeakPolarHBondContact O-CE1 3.3Å; P226-F229 HydrophobicContact CB-CD2 3.96Å; P226-F229 HydrophobicContact CB-CE1 4.4Å; P226-F229 HydrophobicContact CB-CE2 3.65Å; P226-F229 HydrophobicContact CB-CG 4.47Å; P226-F229 HydrophobicContact CB-CZ 3.9Å; P226-F229 PolarHBondContact O-N 3.09Å; F229-K231 VanDerWaalsContact C-N 3.26Å; F229-K231 PolarHBondContact O-N 3.34Å; F229-K232 PolarHBondContact O-N 2.97Å; F229-A233 PolarHBondContact O-N 2.86Å; F229-G234 PolarHBondContact O-N 3.02Å; F229-I235 CarbonylContact C-O 3.42Å; F229-I235 VanDerWaalsContact CB-O 3.22Å; F229-I235 WeakPolarHBondContact CB-O 3.05Å; F229-V237 HydrophobicContact CD2-CB 4.31Å; F229-V237 HydrophobicContact CD2-CG2 4.02Å
230	E	93.8	Very high	95.8	Very high	101 Å²	101	38.3 Å²	38.3	47%	0.472	21%	0.207	S	C	.	.	H	α-helix	trans	-61.2	-39.6	178.7	-174.9	171.5	-165.6	0	0	111	S228 G234 I235 R236	S228-E230 VanDerWaalsContact C-N 3.29Å; S228-E230 PolarHBondContact O-N 2.6Å; E230-G234 VanDerWaalsContact O-CA 3.26Å; E230-G234 WeakPolarHBondContact O-CA 3.46Å; E230-G234 PolarHBondContact O-N 3.17Å; E230-I235 WeakPolarHBondContact CA-O 3.49Å; E230-I235 PolarHBondContact N-O 3.18Å; E230-R236 IonicContact OE2-NH1 3.6Å
231	K	91.3	Very high	95.8	Very high	142 Å²	142	40.8 Å²	40.8	62%	0.617	22%	0.219	S	C	*	.	H	α-helix	trans	-71.7	-40.3	175.8	-174.6	-171.2	175	-160.8	0	112.4	N158 S228 F229	N158-K231 WeakPolarHBondContact OD1-CE 3.44Å; S228-K231 WeakPolarHBondContact O-CB 3.34Å; S228-K231 PolarHBondContact O-N 2.77Å; S228-K231 VanDerWaalsContact O-N 3.08Å; F229-K231 VanDerWaalsContact C-N 3.26Å; F229-K231 PolarHBondContact O-N 3.34Å
232	K	91.8	Very high	95.7	Very high	19 Å²	19	40.9 Å²	40.9	8%	0.083	22%	0.219	C	C	.	.	H	α-helix	trans	-82.7	-31.7	-172.4	-61.3	-176.3	-143.1	-171.5	0	113.4	T97 F101 Y160 E225 S228 F229	T97-K232 HydrophobicContact CG2-CD 3.75Å; T97-K232 PolarHBondContact OG1-NZ 3.13Å; T97-K232 VanDerWaalsContact OG1-NZ 3.11Å; F101-K232 HydrophobicContact CZ-CB 4.12Å; Y160-K232 HydrophobicContact CD2-CB 4.24Å; Y160-K232 HydrophobicContact CE2-CB 4.04Å; Y160-K232 HydrophobicContact CE2-CG 4.12Å; E225-K232 IonicContact OE2-NZ 3.89Å; E225-K232 PolarHBondContact OE2-NZ 3.45Å; S228-K232 WeakPolarHBondContact O-CG 3.47Å; S228-K232 PolarHBondContact O-N 2.72Å; F229-K232 PolarHBondContact O-N 2.97Å
233	A	93.4	Very high	95.7	Very high	39 Å²	39	40.9 Å²	40.9	32%	0.322	22%	0.219	S	C	.	.	H	α-helix	trans	-137.8	-2.1	-168.6	0	0	0	0	0	114.2	F101 L191 F229 I235	F101-A233 HydrophobicContact CE1-CB 4.1Å; F101-A233 HydrophobicContact CZ-CB 4.1Å; L191-A233 HydrophobicContact CD1-CB 3.45Å; L191-A233 VanDerWaalsContact CD1-CB 3.45Å; L191-A233 HydrophobicContact CD2-CB 4.29Å; F229-A233 PolarHBondContact O-N 2.86Å; A233-I235 PolarHBondContact O-N 3.26Å
234	G	94.4	Very high	95.7	Very high	65 Å²	65	44.1 Å²	44.1	67%	0.67	24%	0.239	S	C	*	.	S	Bend	trans	68.4	12.2	-175.7	0	0	0	0	0	114	F229 E230	F229-G234 PolarHBondContact O-N 3.02Å; E230-G234 VanDerWaalsContact O-CA 3.26Å; E230-G234 WeakPolarHBondContact O-CA 3.46Å; E230-G234 PolarHBondContact O-N 3.17Å
235	I	94.9	Very high	95.8	Very high	52 Å²	52	44.2 Å²	44.2	27%	0.267	24%	0.239	S	C	.	.			trans	-111.3	127.9	179.7	-62.4	173.6	0	0	0	108.5	L191 R193 F229 E230 A233 V237	L191-I235 HydrophobicContact CD2-CB 4.15Å; L191-I235 HydrophobicContact CD2-CD1 4.31Å; L191-I235 HydrophobicContact CD2-CG2 4.3Å; R193-I235 HydrophobicContact CG-CD1 4.48Å; R193-I235 HydrophobicContact CG-CG2 4.28Å; F229-I235 CarbonylContact C-O 3.42Å; F229-I235 VanDerWaalsContact CB-O 3.22Å; F229-I235 WeakPolarHBondContact CB-O 3.05Å; E230-I235 WeakPolarHBondContact CA-O 3.49Å; E230-I235 PolarHBondContact N-O 3.18Å; A233-I235 PolarHBondContact O-N 3.26Å; I235-V237 HydrophobicContact CG2-CG2 4.03Å
236	R	95.1	Very high	95.9	Very high	115 Å²	115	42.7 Å²	42.7	43%	0.434	23%	0.232	S	C	.	.			trans	-102.2	123.8	173	-176.1	172.9	178.4	142.8	-6.6	110	N197 E230 D238	N197-R236 PolarHBondContact ND2-O 3.03Å; E230-R236 IonicContact OE2-NH1 3.6Å; R236-D238 IonicContact NE-OD1 3.57Å; R236-D238 PolarHBondContact NE-OD1 3.38Å; R236-D238 VanDerWaalsContact NE-OD1 3.12Å; R236-D238 IonicContact NH2-OD1 2.85Å
237	V	96.4	Very high	96	Very high	1 Å²	1	46 Å²	46	1%	0.006	25%	0.252	C	S	.	.			trans	-119.4	119.3	172.2	-174.3	0	0	0	0	107.2	R193 F229 I235 Q241 L242 R276	R193-V237 VanDerWaalsContact CZ-CG2 3.46Å; F229-V237 HydrophobicContact CD2-CB 4.31Å; F229-V237 HydrophobicContact CD2-CG2 4.02Å; I235-V237 HydrophobicContact CG2-CG2 4.03Å; V237-Q241 HydrophobicContact CG1-CB 4.23Å; V237-Q241 HydrophobicContact CG1-CG 4.22Å; V237-L242 HydrophobicContact CG1-CB 4.18Å; V237-R276 PolarHBondContact O-NH2 3.41Å
238	D	94.8	Very high	96.2	Very high	76 Å²	76	49.5 Å²	49.5	41%	0.406	26%	0.263	S	S	.	.			trans	-81.3	156.4	177.7	-59.9	-34.1	0	0	0	110.6	R236 N240 Q241 L242 R276	R236-D238 IonicContact NE-OD1 3.57Å; R236-D238 PolarHBondContact NE-OD1 3.38Å; R236-D238 VanDerWaalsContact NE-OD1 3.12Å; R236-D238 IonicContact NH2-OD1 2.85Å; D238-N240 VanDerWaalsContact C-N 3.29Å; D238-N240 PolarHBondContact O-N 3.3Å; D238-Q241 PolarHBondContact O-N 3.46Å; D238-Q241 VanDerWaalsContact O-N 3.11Å; D238-L242 PolarHBondContact O-N 3.41Å; D238-R276 IonicContact OD1-NH2 2.96Å
239	G	97.1	Very high	96.4	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.5	-37.4	-171.6	0	0	0	0	0	113.1	Q241 L242 G243 S282 F283	G239-Q241 PolarHBondContact O-N 3.4Å; G239-L242 WeakPolarHBondContact O-CB 3.38Å; G239-L242 PolarHBondContact O-N 2.91Å; G239-G243 PolarHBondContact O-N 2.81Å; G239-S282 WeakPolarHBondContact CA-OG 3.3Å; G239-S282 PolarHBondContact N-OG 3.19Å; G239-F283 VanDerWaalsContact O-CA 3.26Å; G239-F283 WeakPolarHBondContact O-CA 3.49Å
240	N	98	Very high	96.6	Very high	92 Å²	92	50.2 Å²	50.2	49%	0.492	26%	0.261	S	S	.	.	H	α-helix	trans	-60.2	-44.4	175.6	-176.1	71.1	0	0	0	112.8	D238 L242 G243 V244 S282 S286	D238-N240 VanDerWaalsContact C-N 3.29Å; D238-N240 PolarHBondContact O-N 3.3Å; N240-L242 VanDerWaalsContact C-N 3.33Å; N240-G243 PolarHBondContact O-N 3.02Å; N240-V244 WeakPolarHBondContact O-CG2 3.26Å; N240-V244 PolarHBondContact O-N 3.39Å; N240-V244 VanDerWaalsContact O-N 3.1Å; N240-S282 WeakPolarHBondContact CA-O 3.49Å; N240-S282 PolarHBondContact N-O 3.09Å; N240-S286 WeakPolarHBondContact CA-OG 3.43Å; N240-S286 PolarHBondContact O-OG 3.14Å; N240-S286 VanDerWaalsContact OD1-CB 3.31Å; N240-S286 WeakPolarHBondContact OD1-CB 3.35Å
241	Q	98.5	Very high	96.8	Very high	53 Å²	53	52.6 Å²	52.6	25%	0.248	27%	0.269	C	S	.	.	H	α-helix	trans	-65	-41.3	176.5	-179	56.4	53.1	0	0	110.7	V237 D238 G239 G243 V244 D245	V237-Q241 HydrophobicContact CG1-CB 4.23Å; V237-Q241 HydrophobicContact CG1-CG 4.22Å; D238-Q241 PolarHBondContact O-N 3.46Å; D238-Q241 VanDerWaalsContact O-N 3.11Å; G239-Q241 PolarHBondContact O-N 3.4Å; Q241-G243 VanDerWaalsContact C-N 3.33Å; Q241-G243 PolarHBondContact O-N 2.76Å; Q241-V244 WeakPolarHBondContact O-CB 3.12Å; Q241-V244 PolarHBondContact O-N 3.34Å; Q241-D245 PolarHBondContact NE2-OD1 2.75Å; Q241-D245 PolarHBondContact O-N 3.23Å
242	L	98.6	Very high	97.2	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-61.3	-41	176.3	-172.6	65	0	0	0	111.6	P226 V237 D238 G239 N240 V244 D245 F246 P267 L279 F283	P226-L242 HydrophobicContact CB-CD2 3.82Å; P226-L242 HydrophobicContact CG-CD2 3.59Å; V237-L242 HydrophobicContact CG1-CB 4.18Å; D238-L242 PolarHBondContact O-N 3.41Å; G239-L242 WeakPolarHBondContact O-CB 3.38Å; G239-L242 PolarHBondContact O-N 2.91Å; N240-L242 VanDerWaalsContact C-N 3.33Å; L242-V244 VanDerWaalsContact C-N 3.33Å; L242-V244 PolarHBondContact O-N 3.18Å; L242-D245 WeakPolarHBondContact O-CB 3.49Å; L242-D245 PolarHBondContact O-N 3.31Å; L242-D245 VanDerWaalsContact O-N 3.1Å; L242-F246 HydrophobicContact CD1-CD2 4.13Å; L242-F246 HydrophobicContact CD1-CE2 3.95Å; L242-F246 HydrophobicContact CD2-CE2 4.4Å; L242-F246 HydrophobicContact CG-CD2 4.02Å; L242-F246 HydrophobicContact CG-CE2 3.95Å; L242-F246 WeakPolarHBondContact O-CD2 3.25Å; L242-F246 PolarHBondContact O-N 3.37Å; L242-P267 HydrophobicContact CD2-CB 3.86Å; L242-L279 HydrophobicContact CD2-CD2 4.21Å; L242-F283 HydrophobicContact CB-CD2 4.13Å; L242-F283 HydrophobicContact CD2-CD2 4.05Å; L242-F283 HydrophobicContact CD2-CE2 4.46Å; L242-F283 HydrophobicContact CG-CD2 3.95Å; L242-F283 HydrophobicContact CG-CE2 4.2Å
243	G	98.8	Very high	97.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66.6	-33	176.7	0	0	0	0	0	113.4	G239 N240 Q241 F246 T247 S286	G239-G243 PolarHBondContact O-N 2.81Å; N240-G243 PolarHBondContact O-N 3.02Å; Q241-G243 VanDerWaalsContact C-N 3.33Å; Q241-G243 PolarHBondContact O-N 2.76Å; G243-F246 PolarHBondContact O-N 3.25Å; G243-T247 PolarHBondContact O-N 2.63Å; G243-T247 PolarHBondContact O-OG1 3.05Å; G243-S286 WeakPolarHBondContact CA-OG 3.31Å
244	V	98.8	Very high	97.7	Very high	69 Å²	69	45.8 Å²	45.8	42%	0.418	24%	0.239	S	C	.	.	H	α-helix	trans	-63.3	-42.8	168.6	172.5	0	0	0	0	110.9	N240 Q241 L242 F246 T247 R248	N240-V244 WeakPolarHBondContact O-CG2 3.26Å; N240-V244 PolarHBondContact O-N 3.39Å; N240-V244 VanDerWaalsContact O-N 3.1Å; Q241-V244 WeakPolarHBondContact O-CB 3.12Å; Q241-V244 PolarHBondContact O-N 3.34Å; L242-V244 VanDerWaalsContact C-N 3.33Å; L242-V244 PolarHBondContact O-N 3.18Å; V244-F246 PolarHBondContact O-N 3.31Å; V244-T247 PolarHBondContact O-N 3.28Å; V244-R248 PolarHBondContact O-N 3.44Å
245	D	98.9	Very high	97.8	Very high	2 Å²	2	47.9 Å²	47.9	1%	0.011	23%	0.232	C	C	.	.	H	α-helix	trans	-61.6	-43.4	177.3	-57.8	-31.1	0	0	0	111.4	R193 W199 L222 Q241 L242 R248 L249	R193-D245 IonicContact CZ-OD2 2.84Å; R193-D245 IonicContact NH1-OD1 2.65Å; R193-D245 IonicContact NH1-OD2 3.57Å; R193-D245 PolarHBondContact NH1-OD2 2.95Å; R193-D245 IonicContact NH2-OD2 3.2Å; R193-D245 PolarHBondContact NH2-OD2 3.08Å; R193-D245 VanDerWaalsContact NH2-OD2 3.11Å; W199-D245 HydrophobicContact CB-CB 3.68Å; W199-D245 VanDerWaalsContact CB-OD1 3.28Å; W199-D245 WeakPolarHBondContact CB-OD1 3.13Å; W199-D245 HydrophobicContact CG-CB 4.36Å; W199-D245 PolarHBondContact N-OD1 2.8Å; W199-D245 VanDerWaalsContact N-OD1 3.09Å; L222-D245 HydrophobicContact CD2-CB 4.01Å; Q241-D245 PolarHBondContact NE2-OD1 2.75Å; Q241-D245 PolarHBondContact O-N 3.23Å; L242-D245 WeakPolarHBondContact O-CB 3.49Å; L242-D245 PolarHBondContact O-N 3.31Å; L242-D245 VanDerWaalsContact O-N 3.1Å; D245-R248 WeakPolarHBondContact O-CB 3.31Å; D245-R248 PolarHBondContact O-N 3.03Å; D245-L249 PolarHBondContact O-N 2.85Å
246	F	98.9	Very high	97.9	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.3	-40.2	174.4	-92.6	-100.2	0	0	0	112.8	L222 L242 G243 V244 R248 L249 R250 L264 F265 F283 A290 I291	L222-F246 HydrophobicContact CB-CD2 4.24Å; L222-F246 HydrophobicContact CB-CE1 4.12Å; L222-F246 HydrophobicContact CB-CE2 3.73Å; L222-F246 HydrophobicContact CB-CZ 3.66Å; L222-F246 HydrophobicContact CD2-CD2 4.03Å; L222-F246 HydrophobicContact CD2-CE2 4.24Å; L222-F246 HydrophobicContact CG-CD2 4.44Å; L222-F246 HydrophobicContact CG-CE2 4.15Å; L222-F246 WeakPolarHBondContact O-CE2 3.31Å; L222-F246 VanDerWaalsContact O-CZ 3.23Å; L222-F246 WeakPolarHBondContact O-CZ 3.38Å; L242-F246 HydrophobicContact CD1-CD2 4.13Å; L242-F246 HydrophobicContact CD1-CE2 3.95Å; L242-F246 HydrophobicContact CD2-CE2 4.4Å; L242-F246 HydrophobicContact CG-CD2 4.02Å; L242-F246 HydrophobicContact CG-CE2 3.95Å; L242-F246 WeakPolarHBondContact O-CD2 3.25Å; L242-F246 PolarHBondContact O-N 3.37Å; G243-F246 PolarHBondContact O-N 3.25Å; V244-F246 PolarHBondContact O-N 3.31Å; F246-R248 VanDerWaalsContact C-N 3.31Å; F246-R248 PolarHBondContact O-N 3.31Å; F246-L249 PolarHBondContact O-N 2.9Å; F246-R250 PolarHBondContact O-N 3.38Å; F246-L264 HydrophobicContact CD1-CD1 4.21Å; F246-L264 HydrophobicContact CD1-CD2 4.01Å; F246-L264 HydrophobicContact CD1-CG 4.04Å; F246-L264 HydrophobicContact CE1-CD1 4.13Å; F246-L264 HydrophobicContact CE1-CG 4.26Å; F246-F265 VanDerWaalsContact CE1-O 3.29Å; F246-F265 WeakPolarHBondContact CE1-O 3.42Å; F246-F283 HydrophobicContact CB-CE2 4.16Å; F246-F283 HydrophobicContact CD1-CE2 4.4Å; F246-F283 HydrophobicContact CD1-CZ 4.24Å; F246-F283 AromaticContact CD2-CE2 3.5Å; F246-F283 HydrophobicContact CD2-CE2 3.5Å; F246-F283 VanDerWaalsContact CD2-CE2 3.5Å; F246-F283 HydrophobicContact CD2-CZ 4.11Å; F246-F283 HydrophobicContact CE1-CZ 4.44Å; F246-F283 AromaticContact CE2-CE2 3.86Å; F246-F283 HydrophobicContact CE2-CE2 3.86Å; F246-F283 HydrophobicContact CE2-CZ 4.28Å; F246-F283 AromaticContact CG-CE2 3.76Å; F246-F283 HydrophobicContact CG-CE2 3.76Å; F246-F283 HydrophobicContact CG-CZ 4.05Å; F246-F283 HydrophobicContact CZ-CE2 4.46Å; F246-F283 HydrophobicContact CZ-CZ 4.44Å; F246-A290 HydrophobicContact CB-CB 4.27Å; F246-I291 HydrophobicContact CD1-CG2 3.54Å; F246-I291 HydrophobicContact CE1-CG2 3.82Å; F246-I291 HydrophobicContact CG-CG2 4.49Å
247	T	98.8	Very high	97.9	Very high	68 Å²	68	49.6 Å²	49.6	42%	0.417	24%	0.24	S	C	.	.	H	α-helix	trans	-63.4	-39.8	175.1	-62.2	0	0	0	0	111.2	G243 V244 R250 K251 S286	G243-T247 PolarHBondContact O-N 2.63Å; G243-T247 PolarHBondContact O-OG1 3.05Å; V244-T247 PolarHBondContact O-N 3.28Å; T247-R250 PolarHBondContact O-N 3.29Å; T247-K251 PolarHBondContact O-N 2.74Å; T247-S286 PolarHBondContact OG1-O 3.26Å
248	R	98.6	Very high	97.9	Very high	111 Å²	111	51.4 Å²	51.4	42%	0.419	25%	0.25	S	C	.	.	H	α-helix	trans	-63.5	-42.4	173.5	-179	178.7	179.4	164.1	3.6	111.7	W199 S201 V244 D245 F246 K251 M252	W199-R248 PolarHBondContact O-NH1 3.3Å; W199-R248 VanDerWaalsContact O-NH1 3.09Å; S201-R248 PolarHBondContact OG-NE 3.14Å; S201-R248 PolarHBondContact OG-NH2 3.39Å; V244-R248 PolarHBondContact O-N 3.44Å; D245-R248 WeakPolarHBondContact O-CB 3.31Å; D245-R248 PolarHBondContact O-N 3.03Å; F246-R248 VanDerWaalsContact C-N 3.31Å; F246-R248 PolarHBondContact O-N 3.31Å; R248-K251 PolarHBondContact O-N 3.09Å; R248-M252 PolarHBondContact O-N 2.88Å
249	L	98.9	Very high	98	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-61.8	-49.1	174.8	175.1	54.5	0	0	0	111.5	L188 W199 L208 L222 D245 F246 K251 M252 M253 L264	L188-L249 HydrophobicContact CD1-CD1 3.79Å; L188-L249 HydrophobicContact CD1-CD2 3.75Å; L188-L249 HydrophobicContact CD1-CG 4.46Å; W199-L249 HydrophobicContact CH2-CB 4.28Å; W199-L249 HydrophobicContact CH2-CD1 4.04Å; W199-L249 HydrophobicContact CZ3-CB 3.81Å; W199-L249 HydrophobicContact CZ3-CD1 4.33Å; L208-L249 HydrophobicContact CD1-CD1 4.41Å; L222-L249 HydrophobicContact CB-CD2 3.82Å; L222-L249 HydrophobicContact CD2-CD2 4.17Å; L222-L249 HydrophobicContact CG-CD2 4.48Å; D245-L249 PolarHBondContact O-N 2.85Å; F246-L249 PolarHBondContact O-N 2.9Å; L249-K251 VanDerWaalsContact C-N 3.3Å; L249-K251 PolarHBondContact O-N 3.26Å; L249-M252 WeakPolarHBondContact O-CB 3.46Å; L249-M252 PolarHBondContact O-N 2.94Å; L249-M253 HydrophobicContact CD1-CG 3.91Å; L249-M253 HydrophobicContact CD1-SD 4.08Å; L249-M253 HydrophobicContact CG-CG 4.36Å; L249-M253 HydrophobicContact CG-SD 3.97Å; L249-M253 WeakPolarHBondContact O-CG 3.42Å; L249-M253 PolarHBondContact O-N 3.24Å; L249-L264 HydrophobicContact CD2-CD1 3.52Å; L249-L264 HydrophobicContact CD2-CD2 4.36Å; L249-L264 HydrophobicContact CG-CD1 4.15Å; L249-L264 HydrophobicContact CG-CD2 4.27Å
250	R	98.8	Very high	98	Very high	49 Å²	49	54.6 Å²	54.6	19%	0.185	26%	0.256	C	S	.	.	H	α-helix	trans	-56.2	-44.1	177	175.5	57.5	69.5	-176.8	11.9	112	F246 T247 M253 S254 A262 L264 A290 N292	F246-R250 PolarHBondContact O-N 3.38Å; T247-R250 PolarHBondContact O-N 3.29Å; R250-M253 PolarHBondContact O-N 3.47Å; R250-S254 PolarHBondContact O-N 3.47Å; R250-S254 VanDerWaalsContact O-N 3.14Å; R250-A262 PolarHBondContact NH1-O 3.48Å; R250-L264 HydrophobicContact CB-CD2 4.04Å; R250-A290 HydrophobicContact CB-CB 3.96Å; R250-A290 VanDerWaalsContact CZ-O 3.3Å; R250-A290 PolarHBondContact NE-O 2.87Å; R250-A290 PolarHBondContact NH2-O 2.92Å; R250-N292 PolarHBondContact NH2-OD1 3.12Å
251	K	98.5	Very high	97.9	Very high	151 Å²	151	57.1 Å²	57.1	66%	0.657	27%	0.269	S	S	*	.	H	α-helix	trans	-61.1	-45.8	175.5	-175.9	177.8	178.4	179.7	0	111.3	T247 R248 L249 S254	T247-K251 PolarHBondContact O-N 2.74Å; R248-K251 PolarHBondContact O-N 3.09Å; L249-K251 VanDerWaalsContact C-N 3.3Å; L249-K251 PolarHBondContact O-N 3.26Å; K251-S254 PolarHBondContact O-N 3.08Å; K251-S254 PolarHBondContact O-OG 2.87Å
252	M	98.4	Very high	97.9	Very high	5 Å²	5	55.3 Å²	55.3	3%	0.025	26%	0.263	C	S	.	.	H	α-helix	trans	-60.9	-45.2	176.7	176.2	179.3	-52.9	0	0	112.5	S201 R205 L208 R248 L249 S254 E255 F256	S201-M252 WeakPolarHBondContact OG-CE 3.48Å; R205-M252 HydrophobicContact CB-CE 4.06Å; R205-M252 HydrophobicContact CB-SD 3.58Å; R205-M252 VanDerWaalsContact CB-SD 3.58Å; R205-M252 HydrophobicContact CG-SD 4.07Å; L208-M252 HydrophobicContact CD1-CG 4Å; L208-M252 HydrophobicContact CD1-SD 3.79Å; R248-M252 PolarHBondContact O-N 2.88Å; L249-M252 WeakPolarHBondContact O-CB 3.46Å; L249-M252 PolarHBondContact O-N 2.94Å; M252-S254 PolarHBondContact O-N 3.45Å; M252-E255 WeakPolarHBondContact O-CB 3.45Å; M252-E255 PolarHBondContact O-N 3.25Å; M252-E255 VanDerWaalsContact O-N 3.13Å; M252-F256 HydrophobicContact CG-CE2 4.17Å; M252-F256 WeakPolarHBondContact O-CD2 3.33Å
253	M	98.6	Very high	97.9	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-57.5	-37.8	177.5	-71	171.3	63.1	0	0	111.6	L208 W220 L249 R250 E255 F256 Y259 A262 L264	L208-M253 HydrophobicContact CD1-CG 4.42Å; W220-M253 HydrophobicContact CB-SD 4.43Å; W220-M253 VanDerWaalsContact CD1-CE 3.44Å; W220-M253 HydrophobicContact CG-CE 4.23Å; W220-M253 HydrophobicContact CG-SD 4.42Å; L249-M253 HydrophobicContact CD1-CG 3.91Å; L249-M253 HydrophobicContact CD1-SD 4.08Å; L249-M253 HydrophobicContact CG-CG 4.36Å; L249-M253 HydrophobicContact CG-SD 3.97Å; L249-M253 WeakPolarHBondContact O-CG 3.42Å; L249-M253 PolarHBondContact O-N 3.24Å; R250-M253 PolarHBondContact O-N 3.47Å; M253-E255 PolarHBondContact O-N 2.91Å; M253-E255 VanDerWaalsContact O-N 3.16Å; M253-F256 PolarHBondContact O-N 3.07Å; M253-Y259 CarbonylContact O-C 3.12Å; M253-A262 HydrophobicContact CE-CB 4.1Å; M253-L264 HydrophobicContact CE-CB 4.46Å; M253-L264 HydrophobicContact SD-CB 4.32Å; M253-L264 HydrophobicContact SD-CD1 4.26Å; M253-L264 HydrophobicContact SD-CD2 4.26Å
254	S	97.9	Very high	97.9	Very high	52 Å²	52	55.8 Å²	55.8	36%	0.364	27%	0.269	S	S	.	.	H	α-helix	trans	-64	-18.1	179.3	78	0	0	0	0	115.2	R250 K251 M252 F256	R250-S254 PolarHBondContact O-N 3.47Å; R250-S254 VanDerWaalsContact O-N 3.14Å; K251-S254 PolarHBondContact O-N 3.08Å; K251-S254 PolarHBondContact O-OG 2.87Å; M252-S254 PolarHBondContact O-N 3.45Å; S254-F256 VanDerWaalsContact C-N 3.3Å
255	E	97.6	Very high	97.9	Very high	109 Å²	109	53 Å²	53	51%	0.509	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-20.6	175.2	-59.5	171.4	-154.1	0	0	112.2	R205 M252 M253	R205-E255 IonicContact CZ-OE2 3.86Å; R205-E255 IonicContact NH1-OE2 3.37Å; R205-E255 PolarHBondContact NH1-OE2 2.97Å; R205-E255 VanDerWaalsContact NH2-CD 3.25Å; R205-E255 IonicContact NH2-OE1 2.97Å; R205-E255 PolarHBondContact NH2-OE1 3.25Å; R205-E255 IonicContact NH2-OE2 3.66Å; R205-E255 PolarHBondContact NH2-OE2 2.89Å; M252-E255 WeakPolarHBondContact O-CB 3.45Å; M252-E255 PolarHBondContact O-N 3.25Å; M252-E255 VanDerWaalsContact O-N 3.13Å; M253-E255 PolarHBondContact O-N 2.91Å; M253-E255 VanDerWaalsContact O-N 3.16Å
256	F	97	Very high	97.9	Very high	19 Å²	19	52.9 Å²	52.9	8%	0.083	25%	0.25	C	S	.	.	S	Bend	trans	-97.7	128.7	176.3	-59.9	-88.1	0	0	0	109.5	L208 R209 D212 M252 M253 S254 L258 Y259 R260	L208-F256 HydrophobicContact CB-CD2 4.3Å; L208-F256 HydrophobicContact CB-CE1 4.46Å; L208-F256 HydrophobicContact CB-CE2 3.85Å; L208-F256 HydrophobicContact CB-CZ 3.94Å; L208-F256 HydrophobicContact CD1-CE2 4.17Å; R209-F256 HydrophobicContact CB-CE1 4.31Å; R209-F256 HydrophobicContact CG-CE1 3.56Å; R209-F256 HydrophobicContact CG-CZ 3.72Å; D212-F256 HydrophobicContact CB-CD1 3.84Å; M252-F256 HydrophobicContact CG-CE2 4.17Å; M252-F256 WeakPolarHBondContact O-CD2 3.33Å; M253-F256 PolarHBondContact O-N 3.07Å; S254-F256 VanDerWaalsContact C-N 3.3Å; F256-L258 PolarHBondContact O-N 3.34Å; F256-Y259 HydrophobicContact CB-CD2 3.82Å; F256-Y259 HydrophobicContact CB-CG 4.49Å; F256-Y259 HydrophobicContact CG-CD2 4.2Å; F256-Y259 PolarHBondContact O-N 2.84Å; F256-R260 PolarHBondContact O-N 3.48Å
257	K	94.4	Very high	97.8	Very high	184 Å²	184	52.9 Å²	52.9	80%	0.8	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-39.4	-178.3	-175	-177.2	174.9	-171.4	0	111.3
258	L	95.5	Very high	97.8	Very high	39 Å²	39	49.7 Å²	49.7	20%	0.204	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-33.7	-178.5	-167.9	62.2	0	0	0	113.1	D212 Y216 E217 F256	D212-L258 WeakPolarHBondContact OD1-CB 3.33Å; Y216-L258 WeakPolarHBondContact O-CD2 3.26Å; E217-L258 HydrophobicContact CG-CD1 3.74Å; F256-L258 PolarHBondContact O-N 3.34Å
259	Y	98.1	Very high	97.7	Very high	1 Å²	1	44.8 Å²	44.8	0%	0.004	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-0.2	-172.1	-56.5	-54.4	0	0	0	114.9	L208 C211 D212 Y216 M218 W220 M253 F256 D261 A262	L208-Y259 HydrophobicContact CD2-CD2 3.59Å; L208-Y259 HydrophobicContact CD2-CE2 3.84Å; L208-Y259 HydrophobicContact CD2-CG 4.12Å; C211-Y259 VanDerWaalsContact C-OH 3.31Å; C211-Y259 HydrophobicContact CB-CE2 4.35Å; C211-Y259 WeakPolarHBondContact CB-OH 3.27Å; D212-Y259 HydrophobicContact CB-CE2 4.04Å; Y216-Y259 WeakPolarHBondContact O-CE1 3.4Å; Y216-Y259 PolarHBondContact O-OH 2.85Å; M218-Y259 HydrophobicContact CG-CE1 4.34Å; W220-Y259 HydrophobicContact CZ2-CD1 4.43Å; W220-Y259 AromaticContact CZ2-CE1 3.95Å; W220-Y259 HydrophobicContact CZ2-CE1 3.95Å; W220-Y259 HydrophobicContact CZ2-CE2 4.22Å; W220-Y259 AromaticContact CZ2-CZ 3.85Å; W220-Y259 AromaticContact NE1-CD1 3.41Å; W220-Y259 AromaticContact NE1-CE1 3.69Å; W220-Y259 AromaticContact NE1-CG 3.88Å; M253-Y259 CarbonylContact O-C 3.12Å; F256-Y259 HydrophobicContact CB-CD2 3.82Å; F256-Y259 HydrophobicContact CB-CG 4.49Å; F256-Y259 HydrophobicContact CG-CD2 4.2Å; F256-Y259 PolarHBondContact O-N 2.84Å; Y259-D261 VanDerWaalsContact C-N 3.25Å; Y259-D261 PolarHBondContact O-N 2.94Å; Y259-A262 HydrophobicContact CD1-CB 3.99Å; Y259-A262 PolarHBondContact O-N 3.1Å
260	R	96.1	Very high	97.5	Very high	141 Å²	141	45.3 Å²	45.3	53%	0.532	22%	0.218	S	C	.	.	S	Bend	trans	-53.5	-45.3	177.6	-177.6	-174.6	-63.5	173.6	1.2	112.4	F256	F256-R260 PolarHBondContact O-N 3.48Å
261	D	95.9	Very high	97.1	Very high	145 Å²	145	44.8 Å²	44.8	78%	0.775	22%	0.218	S	C	*	.	S	Bend	trans	-107.5	6.3	-176.7	-54.6	-47.6	0	0	0	112.3	Y259	Y259-D261 VanDerWaalsContact C-N 3.25Å; Y259-D261 PolarHBondContact O-N 2.94Å
262	A	98.1	Very high	96.2	Very high	15 Å²	15	38.6 Å²	38.6	12%	0.124	19%	0.193	C	C	.	.	S	Bend	trans	-68.9	154.7	178.6	0	0	0	0	0	112	R250 M253 Y259	R250-A262 PolarHBondContact NH1-O 3.48Å; M253-A262 HydrophobicContact CE-CB 4.1Å; Y259-A262 HydrophobicContact CD1-CB 3.99Å; Y259-A262 PolarHBondContact O-N 3.1Å
263	G	98.6	Very high	95.3	Very high	11 Å²	11	44.2 Å²	44.2	11%	0.113	21%	0.214	C	C	.	.			trans	-62.2	137.3	177.2	0	0	0	0	0	112.2	S219 W220 N292	S219-G263 WeakPolarHBondContact CA-O 3.44Å; S219-G263 WeakPolarHBondContact CB-O 3.22Å; S219-G263 WeakPolarHBondContact OG-CA 3.4Å; S219-G263 PolarHBondContact OG-N 2.93Å; W220-G263 PolarHBondContact N-O 3.33Å; G263-N292 WeakPolarHBondContact CA-OD1 3.35Å
264	L	98.9	Very high	93.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	121.8	163.7	-178.3	57.9	0	0	0	107.9	W220 F246 L249 R250 M253 A290 I291 N292	W220-L264 HydrophobicContact CB-CD1 4.08Å; W220-L264 CarbonylContact O-C 3.55Å; W220-L264 VanDerWaalsContact O-CA 3.3Å; W220-L264 WeakPolarHBondContact O-CA 3.39Å; W220-L264 WeakPolarHBondContact O-CD1 3.21Å; F246-L264 HydrophobicContact CD1-CD1 4.21Å; F246-L264 HydrophobicContact CD1-CD2 4.01Å; F246-L264 HydrophobicContact CD1-CG 4.04Å; F246-L264 HydrophobicContact CE1-CD1 4.13Å; F246-L264 HydrophobicContact CE1-CG 4.26Å; L249-L264 HydrophobicContact CD2-CD1 3.52Å; L249-L264 HydrophobicContact CD2-CD2 4.36Å; L249-L264 HydrophobicContact CG-CD1 4.15Å; L249-L264 HydrophobicContact CG-CD2 4.27Å; R250-L264 HydrophobicContact CB-CD2 4.04Å; M253-L264 HydrophobicContact CE-CB 4.46Å; M253-L264 HydrophobicContact SD-CB 4.32Å; M253-L264 HydrophobicContact SD-CD1 4.26Å; M253-L264 HydrophobicContact SD-CD2 4.26Å; L264-A290 HydrophobicContact CD2-CB 4.46Å; L264-I291 HydrophobicContact CG-CG2 4.42Å; L264-I291 CarbonylContact O-C 3.45Å; L264-I291 VanDerWaalsContact O-CA 3.26Å; L264-I291 WeakPolarHBondContact O-CA 3.16Å; L264-N292 PolarHBondContact N-OD1 2.87Å; L264-N292 PolarHBondContact O-N 3.22Å
265	F	98.9	Very high	92.4	Very high	11 Å²	11	60.7 Å²	60.7	5%	0.048	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	150.5	-177.1	-45.5	-68.4	0	0	0	109.7	I185 S219 W220 E221 F246 N292 A293 T295 W341	I185-F265 HydrophobicContact CD1-CD2 3.77Å; I185-F265 HydrophobicContact CD1-CE2 3.71Å; I185-F265 HydrophobicContact CG1-CD2 4.19Å; I185-F265 HydrophobicContact CG1-CE2 3.95Å; I185-F265 HydrophobicContact CG2-CD2 3.91Å; I185-F265 HydrophobicContact CG2-CE2 4.41Å; S219-F265 VanDerWaalsContact CB-CE2 3.46Å; W220-F265 PolarHBondContact O-N 2.79Å; E221-F265 WeakPolarHBondContact CA-O 3.45Å; E221-F265 HydrophobicContact CG-CB 3.94Å; E221-F265 WeakPolarHBondContact CG-O 3.4Å; F246-F265 VanDerWaalsContact CE1-O 3.29Å; F246-F265 WeakPolarHBondContact CE1-O 3.42Å; F265-N292 HydrophobicContact CD1-CB 4.09Å; F265-N292 HydrophobicContact CE1-CB 3.73Å; F265-A293 HydrophobicContact CD1-CB 3.86Å; F265-A293 HydrophobicContact CE1-CB 4.33Å; F265-T295 HydrophobicContact CB-CG2 3.86Å; F265-W341 HydrophobicContact CD1-CE3 4.07Å; F265-W341 AromaticContact CD1-CH2 3.78Å; F265-W341 HydrophobicContact CD1-CH2 3.78Å; F265-W341 HydrophobicContact CD1-CZ2 4.48Å; F265-W341 AromaticContact CD1-CZ3 3.53Å; F265-W341 HydrophobicContact CD1-CZ3 3.53Å; F265-W341 AromaticContact CD2-CZ3 3.97Å; F265-W341 HydrophobicContact CD2-CZ3 3.97Å; F265-W341 HydrophobicContact CE1-CE3 4.33Å; F265-W341 AromaticContact CE1-CH2 3.19Å; F265-W341 HydrophobicContact CE1-CH2 3.19Å; F265-W341 AromaticContact CE1-CZ2 3.98Å; F265-W341 HydrophobicContact CE1-CZ2 3.98Å; F265-W341 AromaticContact CE1-CZ3 3.41Å; F265-W341 HydrophobicContact CE1-CZ3 3.41Å; F265-W341 VanDerWaalsContact CE1-CZ3 3.41Å; F265-W341 HydrophobicContact CE2-CH2 4.14Å; F265-W341 AromaticContact CE2-CZ3 3.85Å; F265-W341 HydrophobicContact CE2-CZ3 3.85Å; F265-W341 HydrophobicContact CG-CE3 4.28Å; F265-W341 HydrophobicContact CG-CH2 4.45Å; F265-W341 AromaticContact CG-CZ3 3.81Å; F265-W341 HydrophobicContact CG-CZ3 3.81Å; F265-W341 AromaticContact CZ-CH2 3.42Å; F265-W341 HydrophobicContact CZ-CH2 3.42Å; F265-W341 VanDerWaalsContact CZ-CH2 3.42Å; F265-W341 AromaticContact CZ-CZ3 3.58Å; F265-W341 HydrophobicContact CZ-CZ3 3.58Å
266	G	98.6	Very high	91.6	Very high	0 Å²	0	57 Å²	57	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.8	172.8	-176.7	0	0	0	0	0	111.8	I291 A293 C294 T295	G266-I291 WeakPolarHBondContact O-CD1 3.48Å; G266-A293 PolarHBondContact N-O 2.9Å; G266-C294 CarbonylContact O-C 3.58Å; G266-C294 VanDerWaalsContact O-CA 3.25Å; G266-C294 WeakPolarHBondContact O-CA 3.38Å; G266-T295 WeakPolarHBondContact CA-OG1 3.5Å; G266-T295 PolarHBondContact N-OG1 2.87Å; G266-T295 PolarHBondContact O-N 2.95Å; G266-T295 PolarHBondContact O-OG1 3.19Å
267	P	98.2	Very high	90.7	Very high	0 Å²	0	58 Å²	58	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	cis	-94.3	12.6	6.5	35.9	-33.9	0	0	0	114.5	P226 L242 V269 L280 F283	P226-P267 VanDerWaalsContact CD-O 3.28Å; P226-P267 WeakPolarHBondContact CD-O 3.31Å; L242-P267 HydrophobicContact CD2-CB 3.86Å; P267-V269 HydrophobicContact CB-CG1 4.3Å; P267-V269 HydrophobicContact CG-CB 4.46Å; P267-V269 HydrophobicContact CG-CG1 3.69Å; P267-V269 HydrophobicContact CG-CG2 4.22Å; P267-V269 PolarHBondContact O-N 2.84Å; P267-L280 HydrophobicContact CG-CD1 3.92Å; P267-F283 HydrophobicContact CB-CD1 3.77Å; P267-F283 HydrophobicContact CB-CD2 3.94Å; P267-F283 HydrophobicContact CB-CE1 3.75Å; P267-F283 HydrophobicContact CB-CE2 3.93Å; P267-F283 HydrophobicContact CB-CG 3.86Å; P267-F283 HydrophobicContact CB-CZ 3.82Å; P267-F283 VanDerWaalsContact CD-CE1 3.46Å; P267-F283 HydrophobicContact CG-CD1 3.51Å; P267-F283 HydrophobicContact CG-CE1 3.72Å; P267-F283 HydrophobicContact CG-CG 3.93Å; P267-F283 HydrophobicContact CG-CZ 4.32Å
268	D	98.2	Very high	90.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	52.7	41.5	-177.5	-72.3	-74.7	0	0	0	112.6	R93 E221 E225 T295 H297	R93-D268 IonicContact NH2-OD1 2.96Å; E221-D268 VanDerWaalsContact CD-OD2 3.31Å; E221-D268 WeakPolarHBondContact CG-OD2 3.19Å; E225-D268 WeakPolarHBondContact CA-O 3.31Å; E225-D268 PolarHBondContact N-O 2.84Å; D268-T295 PolarHBondContact N-O 2.53Å; D268-T295 PolarHBondContact N-OG1 3.49Å; D268-T295 VanDerWaalsContact OD1-CB 3.3Å; D268-T295 WeakPolarHBondContact OD1-CB 3.42Å; D268-T295 PolarHBondContact OD1-OG1 3.28Å; D268-T295 PolarHBondContact OD2-OG1 3.05Å; D268-H297 IonicContact OD1-CD2 2.76Å; D268-H297 IonicContact OD1-NE2 3.86Å; D268-H297 PolarHBondContact OD1-NE2 2.66Å
269	V	97.1	Very high	90.4	Very high	9 Å²	9	51 Å²	51	6%	0.055	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	145	176.5	-76.7	0	0	0	0	111	P226 P267 L279 L280 W296 H297	P226-V269 HydrophobicContact CG-CG1 4.08Å; P267-V269 HydrophobicContact CB-CG1 4.3Å; P267-V269 HydrophobicContact CG-CB 4.46Å; P267-V269 HydrophobicContact CG-CG1 3.69Å; P267-V269 HydrophobicContact CG-CG2 4.22Å; P267-V269 PolarHBondContact O-N 2.84Å; V269-L279 HydrophobicContact CG1-CD2 3.58Å; V269-L280 HydrophobicContact CG2-CB 4.5Å; V269-L280 HydrophobicContact CG2-CD1 4.22Å; V269-W296 HydrophobicContact CG2-CB 3.89Å; V269-W296 CarbonylContact O-C 3.03Å; V269-W296 VanDerWaalsContact O-CA 3.25Å; V269-W296 WeakPolarHBondContact O-CA 3.11Å; V269-H297 PolarHBondContact O-N 2.88Å
270	G	94.4	Very high	90.4	Very high	10 Å²	10	51.6 Å²	51.6	10%	0.103	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-60.1	167.8	166.2	0	0	0	0	0	112.2	N227	N227-G270 PolarHBondContact OD1-N 2.99Å
271	Q	89.2	Confident	90.4	Very high	38 Å²	38	48.1 Å²	48.1	18%	0.178	24%	0.239	C	C	.	.	S	Bend	trans	-53	142.8	177.2	71.1	-167.6	100.6	0	0	111.4	R273 W296 H297 Y299	Q271-R273 HydrophobicContact CG-CG 4.1Å; Q271-R273 PolarHBondContact O-N 3.36Å; Q271-W296 HydrophobicContact CB-CZ3 4.49Å; Q271-H297 VanDerWaalsContact CA-O 3.26Å; Q271-H297 WeakPolarHBondContact CA-O 3.28Å; Q271-H297 WeakPolarHBondContact CB-O 3.11Å; Q271-H297 PolarHBondContact N-O 3.41Å; Q271-Y299 PolarHBondContact OE1-O 3.13Å
272	P	80.3	Confident	90.4	Very high	21 Å²	21	42.5 Å²	42.5	14%	0.136	21%	0.211	C	C	.	.			trans	-56.4	116	179.6	-23.2	30.2	0	0	0	111.9	K323 E326 V327	P272-K323 HydrophobicContact CB-CD 4.33Å; P272-K323 HydrophobicContact CG-CD 4.4Å; P272-K323 WeakPolarHBondContact O-CE 3.49Å; P272-K323 PolarHBondContact O-NZ 2.91Å; P272-E326 VanDerWaalsContact CB-CD 3.41Å; P272-E326 HydrophobicContact CB-CG 4.32Å; P272-E326 WeakPolarHBondContact CB-OE1 3.2Å; P272-E326 HydrophobicContact CG-CG 4.42Å; P272-V327 HydrophobicContact CG-CG2 3.52Å
273	R	79.1	Confident	90.4	Very high	123 Å²	123	41.8 Å²	41.8	46%	0.464	21%	0.205	S	C	.	.			trans	-131.1	151.8	173.9	-65.9	-177.8	-176.1	178.7	5.5	108	Q271 R275	Q271-R273 HydrophobicContact CG-CG 4.1Å; Q271-R273 PolarHBondContact O-N 3.36Å; R273-R275 CarbonylContact O-C 3.59Å; R273-R275 PolarHBondContact O-N 3.46Å
274	D	64.4	Low	90.4	Very high	168 Å²	168	41.4 Å²	41.4	90%	0.898	20%	0.201	S	C	*	.	S	Bend	trans	-53.2	-27.6	-173.2	-58	-24.7	0	0	0	114.2
275	R	70.9	Confident	90.3	Very high	231 Å²	231	47 Å²	47	87%	0.872	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.1	113.5	174.2	-62.1	-174.7	-176.5	-174.4	1.3	109.5	R273	R273-R275 CarbonylContact O-C 3.59Å; R273-R275 PolarHBondContact O-N 3.46Å
276	R	82.2	Confident	90.2	Very high	30 Å²	30	48 Å²	48	11%	0.113	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.1	23.9	179	-55	-67.4	-58.5	-79.1	-2.3	115.9	N227 V237 D238 D278 L279	N227-R276 HydrophobicContact CB-CB 4.07Å; V237-R276 PolarHBondContact O-NH2 3.41Å; D238-R276 IonicContact OD1-NH2 2.96Å; R276-D278 VanDerWaalsContact C-OD1 3.25Å; R276-D278 WeakPolarHBondContact CA-OD1 3.12Å; R276-D278 PolarHBondContact O-N 3.01Å; R276-L279 WeakPolarHBondContact O-CB 3.31Å; R276-L279 PolarHBondContact O-N 3.23Å; R276-L279 VanDerWaalsContact O-N 3.09Å
277	A	77.8	Confident	90.2	Very high	42 Å²	42	48 Å²	48	35%	0.347	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-24.6	173.8	0	0	0	0	0	113.3	L279	A277-L279 VanDerWaalsContact C-N 3.26Å; A277-L279 PolarHBondContact O-N 2.83Å
278	D	89	Confident	90.2	Very high	73 Å²	73	48.3 Å²	48.3	39%	0.39	24%	0.237	S	C	.	.	H	α-helix	trans	-68.6	-18	176.2	64.4	-55.9	0	0	0	114.1	R276 L280 E281 S282	R276-D278 VanDerWaalsContact C-OD1 3.25Å; R276-D278 WeakPolarHBondContact CA-OD1 3.12Å; R276-D278 PolarHBondContact O-N 3.01Å; D278-L280 PolarHBondContact O-N 3.43Å; D278-E281 PolarHBondContact O-N 3.31Å; D278-S282 WeakPolarHBondContact O-CB 3.4Å; D278-S282 PolarHBondContact O-N 2.89Å; D278-S282 PolarHBondContact O-OG 2.79Å
279	L	95.1	Very high	90.2	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-48	-173.9	-166.4	166.6	0	0	0	111.2	P226 N227 L242 V269 R276 A277 E281 S282 F283	P226-L279 HydrophobicContact CB-CD1 3.99Å; P226-L279 HydrophobicContact CG-CD1 3.99Å; P226-L279 HydrophobicContact CG-CD2 3.99Å; N227-L279 VanDerWaalsContact CA-CD1 3.49Å; N227-L279 HydrophobicContact CB-CD1 3.93Å; N227-L279 VanDerWaalsContact N-CD1 3.27Å; L242-L279 HydrophobicContact CD2-CD2 4.21Å; V269-L279 HydrophobicContact CG1-CD2 3.58Å; R276-L279 WeakPolarHBondContact O-CB 3.31Å; R276-L279 PolarHBondContact O-N 3.23Å; R276-L279 VanDerWaalsContact O-N 3.09Å; A277-L279 VanDerWaalsContact C-N 3.26Å; A277-L279 PolarHBondContact O-N 2.83Å; L279-E281 VanDerWaalsContact C-N 3.34Å; L279-E281 PolarHBondContact O-N 2.69Å; L279-S282 PolarHBondContact O-OG 2.82Å; L279-F283 HydrophobicContact CD2-CB 4.39Å; L279-F283 WeakPolarHBondContact O-CB 3.42Å; L279-F283 PolarHBondContact O-N 3.18Å
280	L	96.6	Very high	90.3	Very high	15 Å²	15	58.2 Å²	58.2	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-62.5	-43.1	-178.5	179.2	59.5	0	0	0	111.5	P267 V269 D278 F283 L284 V327 R330	P267-L280 HydrophobicContact CG-CD1 3.92Å; V269-L280 HydrophobicContact CG2-CB 4.5Å; V269-L280 HydrophobicContact CG2-CD1 4.22Å; D278-L280 PolarHBondContact O-N 3.43Å; L280-F283 PolarHBondContact O-N 3.23Å; L280-L284 HydrophobicContact CD1-CD1 3.96Å; L280-L284 HydrophobicContact CD1-CG 4.09Å; L280-L284 HydrophobicContact CG-CD1 4Å; L280-L284 VanDerWaalsContact O-CG 3.25Å; L280-L284 WeakPolarHBondContact O-CG 3.48Å; L280-L284 PolarHBondContact O-N 2.86Å; L280-V327 HydrophobicContact CD2-CG1 4.22Å; L280-R330 HydrophobicContact CD2-CG 4.17Å; L280-R330 HydrophobicContact CG-CG 4.34Å
281	E	95.9	Very high	90.5	Very high	67 Å²	67	58 Å²	58	31%	0.313	28%	0.277	S	S	.	.	H	α-helix	trans	-60.5	-57.2	178.8	-168.2	178.6	146.5	0	0	112.2	D278 L279 F283 L284 H285 R330 E334	D278-E281 PolarHBondContact O-N 3.31Å; L279-E281 VanDerWaalsContact C-N 3.34Å; L279-E281 PolarHBondContact O-N 2.69Å; E281-F283 PolarHBondContact O-N 3.29Å; E281-L284 PolarHBondContact O-N 2.98Å; E281-H285 PolarHBondContact O-N 3.49Å; E281-R330 VanDerWaalsContact CB-NH1 3.34Å; E281-R330 IonicContact OE2-CZ 2.69Å; E281-R330 VanDerWaalsContact OE2-CZ 3.25Å; E281-R330 IonicContact OE2-NH1 3.11Å; E281-R330 PolarHBondContact OE2-NH1 3.11Å; E281-R330 IonicContact OE2-NH2 3.34Å; E281-E334 HydrophobicContact CG-CG 4.34Å
282	S	96.4	Very high	90.9	Very high	27 Å²	27	59.7 Å²	59.7	19%	0.189	29%	0.287	C	S	.	.	H	α-helix	trans	-64.8	-29.7	-178.7	56.5	0	0	0	0	112.3	G239 N240 D278 L279 S286	G239-S282 WeakPolarHBondContact CA-OG 3.3Å; G239-S282 PolarHBondContact N-OG 3.19Å; N240-S282 WeakPolarHBondContact CA-O 3.49Å; N240-S282 PolarHBondContact N-O 3.09Å; D278-S282 WeakPolarHBondContact O-CB 3.4Å; D278-S282 PolarHBondContact O-N 2.89Å; D278-S282 PolarHBondContact O-OG 2.79Å; L279-S282 PolarHBondContact O-OG 2.82Å; S282-S286 PolarHBondContact O-OG 3.03Å
283	F	98.5	Very high	91.8	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-65.2	-48.1	169.4	170.8	-96.7	0	0	0	111.9	G239 L242 F246 P267 L279 L280 E281 H285 S286 G287 I291	G239-F283 VanDerWaalsContact O-CA 3.26Å; G239-F283 WeakPolarHBondContact O-CA 3.49Å; L242-F283 HydrophobicContact CB-CD2 4.13Å; L242-F283 HydrophobicContact CD2-CD2 4.05Å; L242-F283 HydrophobicContact CD2-CE2 4.46Å; L242-F283 HydrophobicContact CG-CD2 3.95Å; L242-F283 HydrophobicContact CG-CE2 4.2Å; F246-F283 HydrophobicContact CB-CE2 4.16Å; F246-F283 HydrophobicContact CD1-CE2 4.4Å; F246-F283 HydrophobicContact CD1-CZ 4.24Å; F246-F283 AromaticContact CD2-CE2 3.5Å; F246-F283 HydrophobicContact CD2-CE2 3.5Å; F246-F283 VanDerWaalsContact CD2-CE2 3.5Å; F246-F283 HydrophobicContact CD2-CZ 4.11Å; F246-F283 HydrophobicContact CE1-CZ 4.44Å; F246-F283 AromaticContact CE2-CE2 3.86Å; F246-F283 HydrophobicContact CE2-CE2 3.86Å; F246-F283 HydrophobicContact CE2-CZ 4.28Å; F246-F283 AromaticContact CG-CE2 3.76Å; F246-F283 HydrophobicContact CG-CE2 3.76Å; F246-F283 HydrophobicContact CG-CZ 4.05Å; F246-F283 HydrophobicContact CZ-CE2 4.46Å; F246-F283 HydrophobicContact CZ-CZ 4.44Å; P267-F283 HydrophobicContact CB-CD1 3.77Å; P267-F283 HydrophobicContact CB-CD2 3.94Å; P267-F283 HydrophobicContact CB-CE1 3.75Å; P267-F283 HydrophobicContact CB-CE2 3.93Å; P267-F283 HydrophobicContact CB-CG 3.86Å; P267-F283 HydrophobicContact CB-CZ 3.82Å; P267-F283 VanDerWaalsContact CD-CE1 3.46Å; P267-F283 HydrophobicContact CG-CD1 3.51Å; P267-F283 HydrophobicContact CG-CE1 3.72Å; P267-F283 HydrophobicContact CG-CG 3.93Å; P267-F283 HydrophobicContact CG-CZ 4.32Å; L279-F283 HydrophobicContact CD2-CB 4.39Å; L279-F283 WeakPolarHBondContact O-CB 3.42Å; L279-F283 PolarHBondContact O-N 3.18Å; L280-F283 PolarHBondContact O-N 3.23Å; E281-F283 PolarHBondContact O-N 3.29Å; F283-H285 VanDerWaalsContact C-N 3.31Å; F283-H285 PolarHBondContact O-N 2.76Å; F283-S286 PolarHBondContact O-N 2.74Å; F283-S286 PolarHBondContact O-OG 3.35Å; F283-G287 WeakPolarHBondContact O-CA 3.33Å; F283-G287 PolarHBondContact O-N 2.9Å; F283-I291 HydrophobicContact CE1-CD1 3.87Å; F283-I291 HydrophobicContact CZ-CD1 4.3Å; F283-I291 HydrophobicContact CZ-CG2 4.1Å
284	L	98.2	Very high	92.8	Very high	4 Å²	4	52.9 Å²	52.9	2%	0.021	26%	0.259	C	S	.	.	H	α-helix	trans	-64.4	-36.1	-178.8	-70.3	170.8	0	0	0	111.9	L280 E281 S286 A288 I291 V331 E334	L280-L284 HydrophobicContact CD1-CD1 3.96Å; L280-L284 HydrophobicContact CD1-CG 4.09Å; L280-L284 HydrophobicContact CG-CD1 4Å; L280-L284 VanDerWaalsContact O-CG 3.25Å; L280-L284 WeakPolarHBondContact O-CG 3.48Å; L280-L284 PolarHBondContact O-N 2.86Å; E281-L284 PolarHBondContact O-N 2.98Å; L284-S286 PolarHBondContact O-N 2.72Å; L284-A288 HydrophobicContact CB-CB 4.32Å; L284-A288 HydrophobicContact CD2-CB 3.96Å; L284-A288 WeakPolarHBondContact O-CB 3.29Å; L284-A288 PolarHBondContact O-N 3.13Å; L284-I291 HydrophobicContact CD2-CD1 4.43Å; L284-V331 HydrophobicContact CD1-CG2 3.98Å; L284-E334 HydrophobicContact CB-CB 3.66Å; L284-E334 HydrophobicContact CB-CG 4.3Å; L284-E334 HydrophobicContact CD1-CB 3.92Å; L284-E334 HydrophobicContact CD1-CG 4.34Å; L284-E334 HydrophobicContact CG-CB 4.44Å
285	H	97.3	Very high	94.4	Very high	117 Å²	117	44.9 Å²	44.9	54%	0.542	22%	0.216	S	C	.	.	H	α-helix	trans	-54.9	-37.4	174	-71.2	170.1	0	0	0	113.6	E281 F283 E334	E281-H285 PolarHBondContact O-N 3.49Å; F283-H285 VanDerWaalsContact C-N 3.31Å; F283-H285 PolarHBondContact O-N 2.76Å; H285-E334 IonicContact CD2-OE2 2.79Å; H285-E334 PolarHBondContact CD2-OE2 3.21Å; H285-E334 IonicContact CE1-OE2 3.98Å; H285-E334 IonicContact NE2-OE1 3.77Å; H285-E334 PolarHBondContact NE2-OE1 3.24Å; H285-E334 IonicContact NE2-OE2 3.51Å; H285-E334 PolarHBondContact NE2-OE2 2.46Å
286	S	97.9	Very high	95.7	Very high	31 Å²	31	34 Å²	34	22%	0.217	18%	0.175	C	C	.	.	H	α-helix	trans	-106.3	-28.9	-171	54.2	0	0	0	0	114	N240 G243 T247 S282 F283 L284	N240-S286 WeakPolarHBondContact CA-OG 3.43Å; N240-S286 PolarHBondContact O-OG 3.14Å; N240-S286 VanDerWaalsContact OD1-CB 3.31Å; N240-S286 WeakPolarHBondContact OD1-CB 3.35Å; G243-S286 WeakPolarHBondContact CA-OG 3.31Å; T247-S286 PolarHBondContact OG1-O 3.26Å; S282-S286 PolarHBondContact O-OG 3.03Å; F283-S286 PolarHBondContact O-N 2.74Å; F283-S286 PolarHBondContact O-OG 3.35Å; L284-S286 PolarHBondContact O-N 2.72Å
287	G	98.1	Very high	96.5	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-118.9	-9.6	-169.1	0	0	0	0	0	115.7	F283 K289 A290	F283-G287 WeakPolarHBondContact O-CA 3.33Å; F283-G287 PolarHBondContact O-N 2.9Å; G287-K289 PolarHBondContact O-N 2.76Å; G287-K289 VanDerWaalsContact O-N 3.07Å; G287-A290 WeakPolarHBondContact O-CB 3.23Å; G287-A290 PolarHBondContact O-N 3.01Å
288	A	98.1	Very high	97.4	Very high	7 Å²	7	30.6 Å²	30.6	6%	0.058	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-28.3	-172.8	0	0	0	0	0	114.5	L284 A290 I291 K338	L284-A288 HydrophobicContact CB-CB 4.32Å; L284-A288 HydrophobicContact CD2-CB 3.96Å; L284-A288 WeakPolarHBondContact O-CB 3.29Å; L284-A288 PolarHBondContact O-N 3.13Å; A288-A290 VanDerWaalsContact C-N 3.32Å; A288-I291 WeakPolarHBondContact O-CG1 3.41Å; A288-K338 VanDerWaalsContact O-CE 3.24Å; A288-K338 WeakPolarHBondContact O-CE 3.44Å; A288-K338 PolarHBondContact O-NZ 2.79Å
289	K	98.2	Very high	97.9	Very high	213 Å²	213	27.8 Å²	27.8	93%	0.926	14%	0.137	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-22.7	176.2	-67.2	-178.7	-178.3	174.7	0	113.2	G287	G287-K289 PolarHBondContact O-N 2.76Å; G287-K289 VanDerWaalsContact O-N 3.07Å
290	A	98.4	Very high	98	Very high	5 Å²	5	28.8 Å²	28.8	4%	0.041	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-32.3	-178.8	0	0	0	0	0	112.2	F246 R250 L264 G287 A288	F246-A290 HydrophobicContact CB-CB 4.27Å; R250-A290 HydrophobicContact CB-CB 3.96Å; R250-A290 VanDerWaalsContact CZ-O 3.3Å; R250-A290 PolarHBondContact NE-O 2.87Å; R250-A290 PolarHBondContact NH2-O 2.92Å; L264-A290 HydrophobicContact CD2-CB 4.46Å; G287-A290 WeakPolarHBondContact O-CB 3.23Å; G287-A290 PolarHBondContact O-N 3.01Å; A288-A290 VanDerWaalsContact C-N 3.32Å
291	I	98.8	Very high	98.1	Very high	4 Å²	4	28.8 Å²	28.8	2%	0.021	14%	0.142	C	C	.	.			trans	-91.8	148.9	-174.8	62.8	176.3	0	0	0	112.9	F246 L264 G266 F283 L284 A288 C294 K338	F246-I291 HydrophobicContact CD1-CG2 3.54Å; F246-I291 HydrophobicContact CE1-CG2 3.82Å; F246-I291 HydrophobicContact CG-CG2 4.49Å; L264-I291 HydrophobicContact CG-CG2 4.42Å; L264-I291 CarbonylContact O-C 3.45Å; L264-I291 VanDerWaalsContact O-CA 3.26Å; L264-I291 WeakPolarHBondContact O-CA 3.16Å; G266-I291 WeakPolarHBondContact O-CD1 3.48Å; F283-I291 HydrophobicContact CE1-CD1 3.87Å; F283-I291 HydrophobicContact CZ-CD1 4.3Å; F283-I291 HydrophobicContact CZ-CG2 4.1Å; L284-I291 HydrophobicContact CD2-CD1 4.43Å; A288-I291 WeakPolarHBondContact O-CG1 3.41Å; I291-C294 HydrophobicContact CD1-CB 4.37Å; I291-K338 HydrophobicContact CG1-CD 4.37Å; I291-K338 PolarHBondContact O-NZ 2.75Å
292	N	98.8	Very high	98.1	Very high	75 Å²	75	27.7 Å²	27.7	40%	0.401	14%	0.138	S	C	.	.	S	Bend	trans	-82.5	-37.1	172.4	-65.8	96.4	0	0	0	111.9	R250 G263 L264 F265	R250-N292 PolarHBondContact NH2-OD1 3.12Å; G263-N292 WeakPolarHBondContact CA-OD1 3.35Å; L264-N292 PolarHBondContact N-OD1 2.87Å; L264-N292 PolarHBondContact O-N 3.22Å; F265-N292 HydrophobicContact CD1-CB 4.09Å; F265-N292 HydrophobicContact CE1-CB 3.73Å
293	A	98.8	Very high	97.9	Very high	1 Å²	1	27.1 Å²	27.1	1%	0.008	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	150	176.5	0	0	0	0	0	110.8	F265 G266 P339 W341	F265-A293 HydrophobicContact CD1-CB 3.86Å; F265-A293 HydrophobicContact CE1-CB 4.33Å; G266-A293 PolarHBondContact N-O 2.9Å; A293-P339 WeakPolarHBondContact CA-O 3.32Å; A293-P339 HydrophobicContact CB-CB 3.97Å; A293-W341 HydrophobicContact CB-CD2 3.59Å; A293-W341 VanDerWaalsContact CB-CE2 3.41Å; A293-W341 HydrophobicContact CB-CE3 4.17Å; A293-W341 HydrophobicContact CB-CG 3.9Å; A293-W341 HydrophobicContact CB-CH2 4.45Å; A293-W341 HydrophobicContact CB-CZ2 3.89Å
294	C	98.8	Very high	97.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	118.9	174.7	-174.2	0	0	0	0	110.1	G266 I291 V331 K338 P339 V340 W341	G266-C294 CarbonylContact O-C 3.58Å; G266-C294 VanDerWaalsContact O-CA 3.25Å; G266-C294 WeakPolarHBondContact O-CA 3.38Å; I291-C294 HydrophobicContact CD1-CB 4.37Å; C294-V331 HydrophobicContact CB-CG2 4.08Å; C294-K338 HydrophobicContact CB-CG 4.2Å; C294-P339 PolarHBondContact N-O 2.78Å; C294-V340 HydrophobicContact CB-CG2 4.45Å; C294-V340 WeakPolarHBondContact O-CA 3.43Å; C294-W341 PolarHBondContact O-N 3.49Å
295	T	98.8	Very high	97.4	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	139.3	178.6	50.2	0	0	0	0	111.8	F265 G266 D268 W341	F265-T295 HydrophobicContact CB-CG2 3.86Å; G266-T295 WeakPolarHBondContact CA-OG1 3.5Å; G266-T295 PolarHBondContact N-OG1 2.87Å; G266-T295 PolarHBondContact O-N 2.95Å; G266-T295 PolarHBondContact O-OG1 3.19Å; D268-T295 PolarHBondContact N-O 2.53Å; D268-T295 PolarHBondContact N-OG1 3.49Å; D268-T295 VanDerWaalsContact OD1-CB 3.3Å; D268-T295 WeakPolarHBondContact OD1-CB 3.42Å; D268-T295 PolarHBondContact OD1-OG1 3.28Å; D268-T295 PolarHBondContact OD2-OG1 3.05Å; T295-W341 WeakPolarHBondContact CA-O 3.31Å; T295-W341 HydrophobicContact CG2-CB 4.08Å; T295-W341 HydrophobicContact CG2-CE3 4.33Å
296	W	98.6	Very high	97.4	Very high	1 Å²	1	36.6 Å²	36.6	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	164	171.7	70.6	-69.4	0	0	0	110.5	V269 Q271 H298 L320 K323 T324 V327 W341 L342 G343	V269-W296 HydrophobicContact CG2-CB 3.89Å; V269-W296 CarbonylContact O-C 3.03Å; V269-W296 VanDerWaalsContact O-CA 3.25Å; V269-W296 WeakPolarHBondContact O-CA 3.11Å; Q271-W296 HydrophobicContact CB-CZ3 4.49Å; W296-H298 HydrophobicContact CE3-CB 4.43Å; W296-H298 HydrophobicContact CH2-CB 4.1Å; W296-H298 HydrophobicContact CZ3-CB 3.84Å; W296-H298 AromaticContact CZ3-CD2 3.99Å; W296-L320 HydrophobicContact CH2-CD1 4.39Å; W296-K323 HydrophobicContact CH2-CB 4.02Å; W296-K323 HydrophobicContact CZ3-CB 4.05Å; W296-T324 HydrophobicContact CZ2-CG2 4.49Å; W296-V327 HydrophobicContact CD2-CB 4.38Å; W296-V327 HydrophobicContact CD2-CG1 4.3Å; W296-V327 HydrophobicContact CD2-CG2 3.8Å; W296-V327 HydrophobicContact CE3-CG2 3.88Å; W296-V327 HydrophobicContact CG-CG1 4.02Å; W296-V327 HydrophobicContact CG-CG2 4.19Å; W296-V327 HydrophobicContact CZ3-CG2 4.26Å; W296-W341 PolarHBondContact N-O 3.16Å; W296-W341 VanDerWaalsContact N-O 3.07Å; W296-L342 HydrophobicContact CD2-CD2 3.72Å; W296-L342 VanDerWaalsContact CE2-CD2 3.41Å; W296-L342 HydrophobicContact CE3-CD2 4.1Å; W296-L342 HydrophobicContact CG-CD2 4.31Å; W296-L342 HydrophobicContact CH2-CD2 3.96Å; W296-L342 HydrophobicContact CZ2-CD2 3.55Å; W296-L342 HydrophobicContact CZ2-CG 4.12Å; W296-L342 HydrophobicContact CZ3-CD2 4.22Å; W296-L342 CarbonylContact O-C 3.53Å; W296-L342 VanDerWaalsContact O-CA 3.31Å; W296-L342 WeakPolarHBondContact O-CA 3.48Å; W296-G343 PolarHBondContact O-N 3.23Å
297	H	98.3	Very high	97.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	150	-175.5	-57	-174.5	0	0	0	112.1	N224 E225 D268 V269 Q271 E344	N224-H297 PolarHBondContact OD1-CE1 2.82Å; N224-H297 VanDerWaalsContact OD1-CE1 3.29Å; E225-H297 WeakPolarHBondContact CG-ND1 3.43Å; E225-H297 IonicContact OE1-ND1 3.67Å; D268-H297 IonicContact OD1-CD2 2.76Å; D268-H297 IonicContact OD1-NE2 3.86Å; D268-H297 PolarHBondContact OD1-NE2 2.66Å; V269-H297 PolarHBondContact O-N 2.88Å; Q271-H297 VanDerWaalsContact CA-O 3.26Å; Q271-H297 WeakPolarHBondContact CA-O 3.28Å; Q271-H297 WeakPolarHBondContact CB-O 3.11Å; Q271-H297 PolarHBondContact N-O 3.41Å; H297-E344 WeakPolarHBondContact CA-O 3.26Å; H297-E344 HydrophobicContact CB-CB 4.29Å; H297-E344 WeakPolarHBondContact CB-O 3.1Å; H297-E344 VanDerWaalsContact CD2-CB 3.44Å; H297-E344 WeakPolarHBondContact CD2-CB 3.4Å; H297-E344 VanDerWaalsContact CE1-CB 3.43Å; H297-E344 WeakPolarHBondContact CE1-CB 3.41Å; H297-E344 VanDerWaalsContact CE1-CD 3.49Å; H297-E344 IonicContact CE1-OE1 3.69Å; H297-E344 IonicContact CE1-OE2 3.97Å; H297-E344 PolarHBondContact CE1-OE2 3.24Å; H297-E344 VanDerWaalsContact CE1-OE2 3.23Å; H297-E344 IonicContact ND1-OE1 2.71Å; H297-E344 PolarHBondContact ND1-OE1 3.11Å; H297-E344 IonicContact ND1-OE2 2.79Å; H297-E344 WeakPolarHBondContact NE2-CB 3.49Å
298	H	98.1	Very high	97.4	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	133.7	177.7	-178.5	-83.6	0	0	0	112.7	W296 Y300 L320 L342 E344 T345 S346	W296-H298 HydrophobicContact CE3-CB 4.43Å; W296-H298 HydrophobicContact CH2-CB 4.1Å; W296-H298 HydrophobicContact CZ3-CB 3.84Å; W296-H298 AromaticContact CZ3-CD2 3.99Å; H298-Y300 AromaticContact CE1-CD1 3.63Å; H298-Y300 AromaticContact CE1-CE1 3.75Å; H298-Y300 AromaticContact CE1-CG 3.9Å; H298-L320 HydrophobicContact CB-CD1 4.47Å; H298-L342 HydrophobicContact CB-CD2 3.59Å; H298-E344 PolarHBondContact N-O 3Å; H298-T345 VanDerWaalsContact O-CA 3.29Å; H298-T345 WeakPolarHBondContact O-CA 3.39Å; H298-T345 WeakPolarHBondContact O-CB 3.4Å; H298-T345 PolarHBondContact O-OG1 2.59Å; H298-S346 PolarHBondContact O-N 3.5Å
299	Y	98	Very high	97.3	Very high	14 Å²	14	42.7 Å²	42.7	6%	0.055	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	140	168.6	-63.6	-90.5	0	0	0	108.2	Q271 E344 A348 Q384	Q271-Y299 PolarHBondContact OE1-O 3.13Å; Y299-E344 WeakPolarHBondContact OH-CG 3.46Å; Y299-E344 PolarHBondContact OH-OE1 2.76Å; Y299-A348 VanDerWaalsContact CD1-C 3.49Å; Y299-A348 WeakPolarHBondContact CD1-O 3.47Å; Y299-Q384 WeakPolarHBondContact OH-CG 3.37Å
300	Y	98	Very high	97.3	Very high	22 Å²	22	34.8 Å²	34.8	9%	0.086	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	-48.8	-176.9	-69.6	-80.5	0	0	0	111.6	H298 V316 L317 L320 S347 M365	H298-Y300 AromaticContact CE1-CD1 3.63Å; H298-Y300 AromaticContact CE1-CE1 3.75Å; H298-Y300 AromaticContact CE1-CG 3.9Å; Y300-V316 HydrophobicContact CD1-CG1 4.23Å; Y300-V316 WeakPolarHBondContact CD1-O 3.5Å; Y300-V316 HydrophobicContact CG-CG1 4.45Å; Y300-L317 HydrophobicContact CE1-CD2 4.33Å; Y300-L320 HydrophobicContact CE1-CB 3.78Å; Y300-L320 WeakPolarHBondContact OH-CD2 2.94Å; Y300-S347 WeakPolarHBondContact CB-O 3.37Å; Y300-S347 PolarHBondContact N-O 2.64Å; Y300-M365 HydrophobicContact CD2-CB 3.98Å; Y300-M365 HydrophobicContact CD2-CE 4.32Å; Y300-M365 HydrophobicContact CD2-CG 3.89Å; Y300-M365 HydrophobicContact CD2-SD 3.77Å; Y300-M365 HydrophobicContact CE2-CB 3.78Å; Y300-M365 HydrophobicContact CE2-CG 4.04Å; Y300-M365 HydrophobicContact CE2-SD 4.5Å; Y300-M365 HydrophobicContact CG-CE 4.06Å; Y300-M365 HydrophobicContact CG-CG 4.41Å; Y300-M365 HydrophobicContact CG-SD 4.13Å; Y300-M365 PolarHBondContact OH-O 3.08Å
301	V	97.4	Very high	97.3	Very high	16 Å²	16	34.6 Å²	34.6	10%	0.097	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	167.8	-168.3	-60.4	0	0	0	0	112.4	T306 D310 F311 V316 S347 A348 Y349 M365	V301-T306 HydrophobicContact CG2-CG2 4.08Å; V301-T306 WeakPolarHBondContact CG2-OG1 3.43Å; V301-D310 HydrophobicContact CG1-CB 4.17Å; V301-F311 HydrophobicContact CG2-CE2 3.87Å; V301-F311 HydrophobicContact CG2-CZ 4.45Å; V301-V316 HydrophobicContact CG1-CG1 3.8Å; V301-S347 PolarHBondContact N-O 3.38Å; V301-A348 HydrophobicContact CG2-CB 3.59Å; V301-A348 CarbonylContact O-C 3.54Å; V301-A348 WeakPolarHBondContact O-CA 3.17Å; V301-Y349 WeakPolarHBondContact O-CD1 3.34Å; V301-Y349 WeakPolarHBondContact O-CE1 3.37Å; V301-Y349 PolarHBondContact O-N 2.79Å; V301-M365 HydrophobicContact CG1-CE 4.16Å
302	N	95.8	Very high	97.2	Very high	44 Å²	44	34.4 Å²	34.4	24%	0.235	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	123.2	171.7	-171.4	-16.7	0	0	0	109.9	R304 D305 T306 Y349	N302-R304 PolarHBondContact O-N 3.12Å; N302-R304 VanDerWaalsContact O-N 3.08Å; N302-R304 PolarHBondContact OD1-N 3.33Å; N302-R304 VanDerWaalsContact OD1-N 3.09Å; N302-D305 HydrophobicContact CB-CB 4.34Å; N302-D305 CarbonylContact O-C 3.57Å; N302-D305 PolarHBondContact O-N 3.03Å; N302-D305 VanDerWaalsContact O-N 3.12Å; N302-T306 WeakPolarHBondContact O-CB 3.44Å; N302-T306 WeakPolarHBondContact O-CG2 3.29Å; N302-Y349 VanDerWaalsContact CA-CE1 3.49Å; N302-Y349 VanDerWaalsContact CA-CZ 3.46Å; N302-Y349 HydrophobicContact CB-CE1 3.88Å; N302-Y349 HydrophobicContact CB-CE2 3.9Å; N302-Y349 VanDerWaalsContact CB-OH 3.22Å; N302-Y349 WeakPolarHBondContact CB-OH 3.25Å; N302-Y349 VanDerWaalsContact CG-CE2 3.48Å; N302-Y349 VanDerWaalsContact CG-CZ 3.47Å; N302-Y349 VanDerWaalsContact CG-OH 3.29Å; N302-Y349 PolarHBondContact ND2-OH 2.95Å; N302-Y349 WeakPolarHBondContact OD1-CE2 3.28Å
303	G	94.2	Very high	97.1	Very high	15 Å²	15	33.3 Å²	33.3	16%	0.155	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-21.1	179.7	0	0	0	0	0	114.6	Y349	G303-Y349 WeakPolarHBondContact CA-O 3.22Å; G303-Y349 PolarHBondContact N-O 2.87Å
304	R	91.6	Very high	96.9	Very high	154 Å²	154	33.6 Å²	33.6	58%	0.581	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-18.9	179.2	-60.2	-177.4	-175.7	169.1	4	114.1	N302	N302-R304 PolarHBondContact O-N 3.12Å; N302-R304 VanDerWaalsContact O-N 3.08Å; N302-R304 PolarHBondContact OD1-N 3.33Å; N302-R304 VanDerWaalsContact OD1-N 3.09Å
305	D	94.6	Very high	96.8	Very high	131 Å²	131	38.5 Å²	38.5	70%	0.701	20%	0.195	S	C	*	.	B	Isolated β-bridge	trans	-142.4	75.8	-171.4	-171.1	21.6	0	0	0	108.7	N302	N302-D305 HydrophobicContact CB-CB 4.34Å; N302-D305 CarbonylContact O-C 3.57Å; N302-D305 PolarHBondContact O-N 3.03Å; N302-D305 VanDerWaalsContact O-N 3.12Å
306	T	96.9	Very high	96.8	Very high	35 Å²	35	39.6 Å²	39.6	22%	0.215	20%	0.202	C	C	.	.			trans	-156.6	162.9	179.1	-168.9	0	0	0	0	110.6	V301 N302 D310 F311 A353 L356	V301-T306 HydrophobicContact CG2-CG2 4.08Å; V301-T306 WeakPolarHBondContact CG2-OG1 3.43Å; N302-T306 WeakPolarHBondContact O-CB 3.44Å; N302-T306 WeakPolarHBondContact O-CG2 3.29Å; T306-D310 WeakPolarHBondContact CA-OD2 3.18Å; T306-D310 WeakPolarHBondContact OG1-CB 3.4Å; T306-D310 PolarHBondContact OG1-OD2 3.15Å; T306-F311 HydrophobicContact CG2-CE2 4Å; T306-A353 HydrophobicContact CG2-CB 3.5Å; T306-A353 VanDerWaalsContact CG2-CB 3.5Å; T306-L356 HydrophobicContact CG2-CD1 4.25Å
307	S	97.3	Very high	96.7	Very high	48 Å²	48	39.6 Å²	39.6	34%	0.336	20%	0.202	S	C	.	.			trans	-129	166.2	-177.2	73.3	0	0	0	0	111.8	Q309 D310	S307-Q309 PolarHBondContact O-N 2.87Å; S307-Q309 PolarHBondContact OG-N 3.37Å; S307-D310 PolarHBondContact N-OD2 3.5Å; S307-D310 PolarHBondContact O-N 3.01Å; S307-D310 PolarHBondContact OG-N 3.43Å; S307-D310 PolarHBondContact OG-OD1 3.49Å; S307-D310 PolarHBondContact OG-OD2 3.26Å
308	L	97.3	Very high	96.7	Very high	31 Å²	31	41.5 Å²	41.5	16%	0.162	21%	0.212	C	C	.	.	H	α-helix	trans	-55.4	-34	170.1	179.9	65.9	0	0	0	112.1	F311 L312 L356 V361 E492 L495 Q496	L308-F311 PolarHBondContact O-N 2.89Å; L308-L312 HydrophobicContact CG-CD1 4.29Å; L308-L312 PolarHBondContact O-N 3.27Å; L308-L356 HydrophobicContact CB-CD2 4.14Å; L308-L356 HydrophobicContact CD1-CD2 3.87Å; L308-V361 HydrophobicContact CD1-CB 4.01Å; L308-V361 HydrophobicContact CD1-CG1 3.95Å; L308-V361 HydrophobicContact CD1-CG2 3.7Å; L308-E492 HydrophobicContact CD2-CG 4.32Å; L308-L495 HydrophobicContact CD1-CB 4.11Å; L308-L495 HydrophobicContact CD1-CD1 4.4Å; L308-Q496 HydrophobicContact CD1-CG 4.16Å
309	Q	96.8	Very high	96.6	Very high	86 Å²	86	43.8 Å²	43.8	40%	0.402	23%	0.226	S	C	.	.	H	α-helix	trans	-70	-34.1	-178.6	-62.1	-56.8	-37.5	0	0	111.8	S307 F311 L312 D313 E492	S307-Q309 PolarHBondContact O-N 2.87Å; S307-Q309 PolarHBondContact OG-N 3.37Å; Q309-F311 VanDerWaalsContact C-N 3.27Å; Q309-F311 PolarHBondContact O-N 3.34Å; Q309-L312 CarbonylContact O-C 3.6Å; Q309-L312 PolarHBondContact O-N 3.08Å; Q309-D313 WeakPolarHBondContact O-CB 3.44Å; Q309-D313 PolarHBondContact O-N 3.29Å; Q309-E492 PolarHBondContact NE2-OE1 2.86Å; Q309-E492 VanDerWaalsContact NE2-OE1 3.08Å
310	D	98	Very high	96.6	Very high	48 Å²	48	43.1 Å²	43.1	26%	0.257	22%	0.224	S	C	.	.	H	α-helix	trans	-64.4	-34.9	176.1	-52.6	-32.5	0	0	0	111.5	V301 T306 S307 L312 D313 V316	V301-D310 HydrophobicContact CG1-CB 4.17Å; T306-D310 WeakPolarHBondContact CA-OD2 3.18Å; T306-D310 WeakPolarHBondContact OG1-CB 3.4Å; T306-D310 PolarHBondContact OG1-OD2 3.15Å; S307-D310 PolarHBondContact N-OD2 3.5Å; S307-D310 PolarHBondContact O-N 3.01Å; S307-D310 PolarHBondContact OG-N 3.43Å; S307-D310 PolarHBondContact OG-OD1 3.49Å; S307-D310 PolarHBondContact OG-OD2 3.26Å; D310-L312 PolarHBondContact O-N 3.12Å; D310-D313 PolarHBondContact O-N 3.22Å; D310-V316 HydrophobicContact CB-CG2 4.42Å
311	F	98.2	Very high	96.6	Very high	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-67.8	-18.2	174.9	-83.3	-116.6	0	0	0	113.1	V301 T306 L308 Q309 A353 L356 V361 M365	V301-F311 HydrophobicContact CG2-CE2 3.87Å; V301-F311 HydrophobicContact CG2-CZ 4.45Å; T306-F311 HydrophobicContact CG2-CE2 4Å; L308-F311 PolarHBondContact O-N 2.89Å; Q309-F311 VanDerWaalsContact C-N 3.27Å; Q309-F311 PolarHBondContact O-N 3.34Å; F311-A353 HydrophobicContact CE2-CB 4.12Å; F311-A353 HydrophobicContact CZ-CB 3.99Å; F311-L356 HydrophobicContact CD1-CB 4.41Å; F311-L356 HydrophobicContact CD2-CB 4.38Å; F311-L356 HydrophobicContact CD2-CD1 4.15Å; F311-L356 HydrophobicContact CE1-CB 3.99Å; F311-L356 HydrophobicContact CE2-CB 3.97Å; F311-L356 HydrophobicContact CE2-CD1 3.99Å; F311-L356 HydrophobicContact CZ-CB 3.76Å; F311-V361 HydrophobicContact CB-CG1 4.2Å; F311-V361 HydrophobicContact CB-CG2 3.76Å; F311-V361 HydrophobicContact CD1-CG1 3.83Å; F311-V361 HydrophobicContact CG-CG1 4.23Å; F311-M365 HydrophobicContact CB-CE 4.42Å; F311-M365 HydrophobicContact CD1-CE 4.48Å; F311-M365 HydrophobicContact CD1-SD 3.79Å; F311-M365 HydrophobicContact CD2-CE 4.18Å; F311-M365 HydrophobicContact CD2-SD 4.39Å; F311-M365 HydrophobicContact CE1-SD 3.94Å; F311-M365 HydrophobicContact CG-CE 4.12Å; F311-M365 HydrophobicContact CG-SD 4.03Å; F311-M365 HydrophobicContact CZ-SD 4.29Å
312	L	96.7	Very high	96.5	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.005	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	4.7	-179	-62.9	171.2	0	0	0	113.1	L308 Q309 D310 P314 V361 F364 R433 L495 Y534	L308-L312 HydrophobicContact CG-CD1 4.29Å; L308-L312 PolarHBondContact O-N 3.27Å; Q309-L312 CarbonylContact O-C 3.6Å; Q309-L312 PolarHBondContact O-N 3.08Å; D310-L312 PolarHBondContact O-N 3.12Å; L312-P314 WeakPolarHBondContact O-CD 3.36Å; L312-V361 HydrophobicContact CD2-CG2 3.7Å; L312-V361 HydrophobicContact CG-CG2 3.9Å; L312-F364 HydrophobicContact CD2-CD2 3.72Å; L312-F364 HydrophobicContact CD2-CE2 3.85Å; L312-F364 HydrophobicContact CD2-CG 4.42Å; L312-R433 PolarHBondContact O-NH1 3.06Å; L312-L495 HydrophobicContact CD1-CD1 3.59Å; L312-L495 HydrophobicContact CD2-CD1 4.24Å; L312-L495 HydrophobicContact CG-CD1 4.44Å; L312-Y534 HydrophobicContact CD1-CE1 4.04Å; L312-Y534 HydrophobicContact CD2-CD1 4.44Å
313	D	96.9	Very high	96.6	Very high	52 Å²	52	48.6 Å²	48.6	28%	0.278	25%	0.253	S	S	.	.			trans	-88.9	115.7	-176	-171.9	-7.7	0	0	0	110.3	Q309 D310 E315 V316 L317	Q309-D313 WeakPolarHBondContact O-CB 3.44Å; Q309-D313 PolarHBondContact O-N 3.29Å; D310-D313 PolarHBondContact O-N 3.22Å; D313-E315 PolarHBondContact O-N 3.04Å; D313-E315 PolarHBondContact OD1-N 3.49Å; D313-V316 HydrophobicContact CB-CB 4.16Å; D313-V316 HydrophobicContact CB-CG2 3.84Å; D313-V316 WeakPolarHBondContact O-CB 3.36Å; D313-V316 PolarHBondContact O-N 3.16Å; D313-V316 VanDerWaalsContact O-N 3.09Å; D313-L317 PolarHBondContact O-N 3.41Å; D313-L317 VanDerWaalsContact O-N 3.12Å
314	P	95.6	Very high	96.7	Very high	6 Å²	6	47.9 Å²	47.9	4%	0.039	25%	0.246	C	C	.	.	H	α-helix	trans	-57.2	-30.8	175.6	-24.3	35.3	0	0	0	113.9	L312 V316 L317 D318 K432 R433	L312-P314 WeakPolarHBondContact O-CD 3.36Å; P314-V316 VanDerWaalsContact C-N 3.32Å; P314-L317 PolarHBondContact O-N 3.13Å; P314-D318 WeakPolarHBondContact O-CB 3.36Å; P314-D318 PolarHBondContact O-N 3.29Å; P314-K432 HydrophobicContact CB-CB 3.79Å; P314-K432 WeakPolarHBondContact CB-O 3.44Å; P314-K432 HydrophobicContact CG-CB 4.11Å; P314-R433 HydrophobicContact CG-CB 4.45Å; P314-R433 HydrophobicContact CG-CG 3.62Å
315	E	96.3	Very high	97	Very high	104 Å²	104	43.5 Å²	43.5	49%	0.486	23%	0.234	S	C	.	.	H	α-helix	trans	-69.3	-34.5	178.8	-58.6	-59.9	146.9	0	0	111.1	D313 D318 T319 K432	D313-E315 PolarHBondContact O-N 3.04Å; D313-E315 PolarHBondContact OD1-N 3.49Å; E315-D318 PolarHBondContact O-N 3.03Å; E315-T319 WeakPolarHBondContact O-CG2 3.49Å; E315-T319 PolarHBondContact O-N 2.96Å; E315-K432 IonicContact OE1-NZ 2.66Å; E315-K432 PolarHBondContact OE1-NZ 3.19Å; E315-K432 IonicContact OE2-NZ 3.6Å
316	V	97.8	Very high	97.1	Very high	23 Å²	23	41.2 Å²	41.2	14%	0.139	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-45.3	171	174.8	0	0	0	0	109.9	Y300 V301 D310 D313 P314 D318 T319 M365	Y300-V316 HydrophobicContact CD1-CG1 4.23Å; Y300-V316 WeakPolarHBondContact CD1-O 3.5Å; Y300-V316 HydrophobicContact CG-CG1 4.45Å; V301-V316 HydrophobicContact CG1-CG1 3.8Å; D310-V316 HydrophobicContact CB-CG2 4.42Å; D313-V316 HydrophobicContact CB-CB 4.16Å; D313-V316 HydrophobicContact CB-CG2 3.84Å; D313-V316 WeakPolarHBondContact O-CB 3.36Å; D313-V316 PolarHBondContact O-N 3.16Å; D313-V316 VanDerWaalsContact O-N 3.09Å; P314-V316 VanDerWaalsContact C-N 3.32Å; V316-D318 VanDerWaalsContact C-N 3.32Å; V316-D318 PolarHBondContact O-N 2.84Å; V316-T319 WeakPolarHBondContact O-CB 3.28Å; V316-T319 WeakPolarHBondContact O-CG2 3.31Å; V316-T319 PolarHBondContact O-N 2.98Å; V316-T319 PolarHBondContact O-OG1 2.84Å; V316-M365 HydrophobicContact CG1-CE 3.66Å
317	L	97.9	Very high	97.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.2	-40.2	177.2	-62.6	-176.1	0	0	0	112.5	Y300 D313 P314 T319 L320 M365 D368 L462	Y300-L317 HydrophobicContact CE1-CD2 4.33Å; D313-L317 PolarHBondContact O-N 3.41Å; D313-L317 VanDerWaalsContact O-N 3.12Å; P314-L317 PolarHBondContact O-N 3.13Å; L317-T319 PolarHBondContact O-N 3.06Å; L317-L320 PolarHBondContact O-N 2.86Å; L317-M365 HydrophobicContact CD2-CB 4.27Å; L317-M365 HydrophobicContact CD2-CG 3.62Å; L317-D368 HydrophobicContact CD1-CB 4.29Å; L317-D368 HydrophobicContact CD2-CB 4.38Å; L317-L462 HydrophobicContact CD1-CD2 3.76Å
318	D	96.6	Very high	97.2	Very high	41 Å²	41	39.2 Å²	39.2	22%	0.219	20%	0.203	C	C	.	.	H	α-helix	trans	-66.1	-19.8	-178.8	-72.5	-13.8	0	0	0	112.9	P314 E315 V316 L320 A321 L322 K432 R435	P314-D318 WeakPolarHBondContact O-CB 3.36Å; P314-D318 PolarHBondContact O-N 3.29Å; E315-D318 PolarHBondContact O-N 3.03Å; V316-D318 VanDerWaalsContact C-N 3.32Å; V316-D318 PolarHBondContact O-N 2.84Å; D318-L320 PolarHBondContact O-N 2.65Å; D318-A321 PolarHBondContact O-N 2.89Å; D318-A321 VanDerWaalsContact O-N 3.09Å; D318-L322 PolarHBondContact O-N 3.21Å; D318-K432 IonicContact OD2-NZ 3.56Å; D318-R435 IonicContact OD1-CZ 2.69Å; D318-R435 IonicContact OD1-NH1 2.99Å; D318-R435 PolarHBondContact OD1-NH1 3.06Å; D318-R435 IonicContact OD1-NH2 2.93Å; D318-R435 PolarHBondContact OD1-NH2 3.17Å; D318-R435 VanDerWaalsContact OD1-NH2 3.1Å
319	T	97.2	Very high	97.2	Very high	49 Å²	49	43.5 Å²	43.5	30%	0.301	22%	0.222	S	C	.	.	H	α-helix	trans	-59.5	-29.5	175	66.6	0	0	0	0	113.1	E315 V316 L317 A321 L322 K323	E315-T319 WeakPolarHBondContact O-CG2 3.49Å; E315-T319 PolarHBondContact O-N 2.96Å; V316-T319 WeakPolarHBondContact O-CB 3.28Å; V316-T319 WeakPolarHBondContact O-CG2 3.31Å; V316-T319 PolarHBondContact O-N 2.98Å; V316-T319 PolarHBondContact O-OG1 2.84Å; L317-T319 PolarHBondContact O-N 3.06Å; T319-A321 VanDerWaalsContact C-N 3.33Å; T319-A321 PolarHBondContact O-N 3.44Å; T319-L322 PolarHBondContact O-N 3.27Å; T319-K323 WeakPolarHBondContact O-CG 3.06Å; T319-K323 PolarHBondContact O-N 3.3Å
320	L	97.5	Very high	97.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.7	-41.5	176.4	173.5	65.6	0	0	0	111.2	W296 H298 Y300 L317 D318 K323 T324 L342 K369 L372	W296-L320 HydrophobicContact CH2-CD1 4.39Å; H298-L320 HydrophobicContact CB-CD1 4.47Å; Y300-L320 HydrophobicContact CE1-CB 3.78Å; Y300-L320 WeakPolarHBondContact OH-CD2 2.94Å; L317-L320 PolarHBondContact O-N 2.86Å; D318-L320 PolarHBondContact O-N 2.65Å; L320-K323 PolarHBondContact O-N 3.31Å; L320-T324 WeakPolarHBondContact O-CB 3.39Å; L320-T324 PolarHBondContact O-N 2.89Å; L320-T324 PolarHBondContact O-OG1 3.44Å; L320-L342 HydrophobicContact CD1-CD1 4.35Å; L320-K369 HydrophobicContact CD2-CB 3.92Å; L320-K369 HydrophobicContact CD2-CG 3.71Å; L320-L372 HydrophobicContact CB-CD2 4.17Å; L320-L372 HydrophobicContact CD2-CB 4.29Å; L320-L372 HydrophobicContact CD2-CD2 4.09Å; L320-L372 HydrophobicContact CG-CD2 4.24Å
321	A	97.6	Very high	97.1	Very high	20 Å²	20	40.6 Å²	40.6	17%	0.165	21%	0.205	C	C	.	.	H	α-helix	trans	-64.1	-44	179.1	0	0	0	0	0	111.5	D318 T319 K323 T324 N325 L372 L376	D318-A321 PolarHBondContact O-N 2.89Å; D318-A321 VanDerWaalsContact O-N 3.09Å; T319-A321 VanDerWaalsContact C-N 3.33Å; T319-A321 PolarHBondContact O-N 3.44Å; A321-K323 PolarHBondContact O-N 2.66Å; A321-T324 PolarHBondContact O-N 3.37Å; A321-N325 WeakPolarHBondContact O-CB 3.4Å; A321-N325 VanDerWaalsContact O-CG 3.26Å; A321-N325 PolarHBondContact O-N 3.02Å; A321-N325 PolarHBondContact O-ND2 2.82Å; A321-L372 HydrophobicContact CB-CD1 4.49Å; A321-L372 HydrophobicContact CB-CD2 3.93Å; A321-L372 HydrophobicContact CB-CG 4.43Å; A321-L376 HydrophobicContact CB-CD1 3.84Å
322	L	96.5	Very high	97.1	Very high	124 Å²	124	46 Å²	46	65%	0.649	23%	0.23	S	C	*	.	H	α-helix	trans	-57.4	-49.7	177.6	-62.5	176.3	0	0	0	110.9	D318 T319 N325 E326	D318-L322 PolarHBondContact O-N 3.21Å; T319-L322 PolarHBondContact O-N 3.27Å; L322-N325 PolarHBondContact O-N 2.87Å; L322-E326 PolarHBondContact O-N 2.87Å; L322-E326 VanDerWaalsContact O-N 3.09Å
323	K	96.8	Very high	97.1	Very high	52 Å²	52	52 Å²	52	23%	0.226	26%	0.258	C	S	.	.	H	α-helix	trans	-71.7	-35.8	-178	-65.8	-67.4	162.6	-167	0	113.3	P272 W296 T319 L320 A321 E326 V327	P272-K323 HydrophobicContact CB-CD 4.33Å; P272-K323 HydrophobicContact CG-CD 4.4Å; P272-K323 WeakPolarHBondContact O-CE 3.49Å; P272-K323 PolarHBondContact O-NZ 2.91Å; W296-K323 HydrophobicContact CH2-CB 4.02Å; W296-K323 HydrophobicContact CZ3-CB 4.05Å; T319-K323 WeakPolarHBondContact O-CG 3.06Å; T319-K323 PolarHBondContact O-N 3.3Å; L320-K323 PolarHBondContact O-N 3.31Å; A321-K323 PolarHBondContact O-N 2.66Å; K323-E326 IonicContact NZ-OE2 3.83Å; K323-E326 PolarHBondContact NZ-OE2 2.82Å; K323-E326 PolarHBondContact O-N 2.96Å; K323-V327 WeakPolarHBondContact O-CG2 3.4Å; K323-V327 PolarHBondContact O-N 2.99Å; K323-V327 VanDerWaalsContact O-N 3.12Å
324	T	97.8	Very high	97.1	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-64.1	-44.7	175	-59.7	0	0	0	0	110.9	W296 L320 A321 V327 L328 L376 L378	W296-T324 HydrophobicContact CZ2-CG2 4.49Å; L320-T324 WeakPolarHBondContact O-CB 3.39Å; L320-T324 PolarHBondContact O-N 2.89Å; L320-T324 PolarHBondContact O-OG1 3.44Å; A321-T324 PolarHBondContact O-N 3.37Å; T324-V327 PolarHBondContact O-N 3.24Å; T324-L328 HydrophobicContact CG2-CD1 3.7Å; T324-L328 HydrophobicContact CG2-CG 4.12Å; T324-L328 WeakPolarHBondContact O-CB 3.45Å; T324-L328 VanDerWaalsContact O-CG 3.27Å; T324-L328 WeakPolarHBondContact O-CG 3.41Å; T324-L328 PolarHBondContact O-N 3.19Å; T324-L376 HydrophobicContact CG2-CB 3.88Å; T324-L376 HydrophobicContact CG2-CD1 3.88Å; T324-L378 HydrophobicContact CG2-CD1 4.17Å; T324-L378 HydrophobicContact CG2-CD2 3.99Å; T324-L378 HydrophobicContact CG2-CG 3.96Å
325	N	97.7	Very high	97.2	Very high	63 Å²	63	53 Å²	53	34%	0.337	26%	0.263	S	S	.	.	H	α-helix	trans	-63.6	-42.4	177.6	-71.4	-21.5	0	0	0	111.7	A321 L322 V327 L328 E329	A321-N325 WeakPolarHBondContact O-CB 3.4Å; A321-N325 VanDerWaalsContact O-CG 3.26Å; A321-N325 PolarHBondContact O-N 3.02Å; A321-N325 PolarHBondContact O-ND2 2.82Å; L322-N325 PolarHBondContact O-N 2.87Å; N325-V327 VanDerWaalsContact C-N 3.31Å; N325-V327 PolarHBondContact O-N 3.09Å; N325-L328 PolarHBondContact O-N 2.85Å; N325-E329 VanDerWaalsContact O-CB 3.32Å; N325-E329 WeakPolarHBondContact O-CB 3.44Å; N325-E329 VanDerWaalsContact O-CG 3.27Å; N325-E329 WeakPolarHBondContact O-CG 3.37Å; N325-E329 PolarHBondContact O-N 2.87Å
326	E	96.3	Very high	97.3	Very high	83 Å²	83	52.3 Å²	52.3	39%	0.388	27%	0.267	S	S	.	.	H	α-helix	trans	-55.8	-45.3	175.3	-171	-177.9	163.1	0	0	111.8	P272 L322 K323 R330	P272-E326 VanDerWaalsContact CB-CD 3.41Å; P272-E326 HydrophobicContact CB-CG 4.32Å; P272-E326 WeakPolarHBondContact CB-OE1 3.2Å; P272-E326 HydrophobicContact CG-CG 4.42Å; L322-E326 PolarHBondContact O-N 2.87Å; L322-E326 VanDerWaalsContact O-N 3.09Å; K323-E326 IonicContact NZ-OE2 3.83Å; K323-E326 PolarHBondContact NZ-OE2 2.82Å; K323-E326 PolarHBondContact O-N 2.96Å; E326-R330 WeakPolarHBondContact O-CB 3.22Å; E326-R330 PolarHBondContact O-N 2.87Å; E326-R330 VanDerWaalsContact O-N 3.16Å
327	V	97.5	Very high	97.2	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-69.8	-45.8	177.5	175.5	0	0	0	0	111.8	P272 L280 W296 K323 T324 N325 E329 R330 V331 V340	P272-V327 HydrophobicContact CG-CG2 3.52Å; L280-V327 HydrophobicContact CD2-CG1 4.22Å; W296-V327 HydrophobicContact CD2-CB 4.38Å; W296-V327 HydrophobicContact CD2-CG1 4.3Å; W296-V327 HydrophobicContact CD2-CG2 3.8Å; W296-V327 HydrophobicContact CE3-CG2 3.88Å; W296-V327 HydrophobicContact CG-CG1 4.02Å; W296-V327 HydrophobicContact CG-CG2 4.19Å; W296-V327 HydrophobicContact CZ3-CG2 4.26Å; K323-V327 WeakPolarHBondContact O-CG2 3.4Å; K323-V327 PolarHBondContact O-N 2.99Å; K323-V327 VanDerWaalsContact O-N 3.12Å; T324-V327 PolarHBondContact O-N 3.24Å; N325-V327 VanDerWaalsContact C-N 3.31Å; N325-V327 PolarHBondContact O-N 3.09Å; V327-E329 PolarHBondContact O-N 2.94Å; V327-R330 PolarHBondContact O-N 2.93Å; V327-V331 HydrophobicContact CG1-CG2 4.22Å; V327-V331 WeakPolarHBondContact O-CG2 3.44Å; V327-V331 PolarHBondContact O-N 3.23Å; V327-V340 HydrophobicContact CG1-CG1 3.92Å
328	L	97.8	Very high	97.2	Very high	37 Å²	37	56.4 Å²	56.4	19%	0.194	30%	0.302	C	S	.	.	H	α-helix	trans	-61.5	-43.4	180	-74.2	174.1	0	0	0	111.6	T324 N325 V331 Q332 V340 L376	T324-L328 HydrophobicContact CG2-CD1 3.7Å; T324-L328 HydrophobicContact CG2-CG 4.12Å; T324-L328 WeakPolarHBondContact O-CB 3.45Å; T324-L328 VanDerWaalsContact O-CG 3.27Å; T324-L328 WeakPolarHBondContact O-CG 3.41Å; T324-L328 PolarHBondContact O-N 3.19Å; N325-L328 PolarHBondContact O-N 2.85Å; L328-V331 PolarHBondContact O-N 3.3Å; L328-Q332 WeakPolarHBondContact O-CB 3.36Å; L328-Q332 PolarHBondContact O-N 3.46Å; L328-V340 HydrophobicContact CD2-CB 3.83Å; L328-V340 HydrophobicContact CD2-CG1 4.2Å; L328-V340 HydrophobicContact CD2-CG2 3.83Å; L328-L376 HydrophobicContact CD1-CB 4.43Å; L328-L376 WeakPolarHBondContact CD1-O 3.49Å
329	E	97	Very high	97.3	Very high	121 Å²	121	56.7 Å²	56.7	57%	0.565	31%	0.306	S	S	*	.	H	α-helix	trans	-61.5	-45	175.9	-74.9	174.8	-171.9	0	0	111.1	N325 V327 Q332 Q333	N325-E329 VanDerWaalsContact O-CB 3.32Å; N325-E329 WeakPolarHBondContact O-CB 3.44Å; N325-E329 VanDerWaalsContact O-CG 3.27Å; N325-E329 WeakPolarHBondContact O-CG 3.37Å; N325-E329 PolarHBondContact O-N 2.87Å; V327-E329 PolarHBondContact O-N 2.94Å; E329-Q332 PolarHBondContact O-N 3.36Å; E329-Q333 WeakPolarHBondContact O-CB 3.39Å; E329-Q333 VanDerWaalsContact O-CG 3.25Å; E329-Q333 WeakPolarHBondContact O-CG 3.34Å; E329-Q333 PolarHBondContact O-N 3.44Å
330	R	96.4	Very high	97.4	Very high	71 Å²	71	54.5 Å²	54.5	27%	0.268	29%	0.293	S	S	.	.	H	α-helix	trans	-61.7	-47.9	176.7	-176.7	57.2	57.4	97.1	-8.8	111.8	L280 E281 E326 V327 Q332 Q333 E334	L280-R330 HydrophobicContact CD2-CG 4.17Å; L280-R330 HydrophobicContact CG-CG 4.34Å; E281-R330 VanDerWaalsContact CB-NH1 3.34Å; E281-R330 IonicContact OE2-CZ 2.69Å; E281-R330 VanDerWaalsContact OE2-CZ 3.25Å; E281-R330 IonicContact OE2-NH1 3.11Å; E281-R330 PolarHBondContact OE2-NH1 3.11Å; E281-R330 IonicContact OE2-NH2 3.34Å; E326-R330 WeakPolarHBondContact O-CB 3.22Å; E326-R330 PolarHBondContact O-N 2.87Å; E326-R330 VanDerWaalsContact O-N 3.16Å; V327-R330 PolarHBondContact O-N 2.93Å; R330-Q332 VanDerWaalsContact C-N 3.32Å; R330-Q332 PolarHBondContact O-N 2.96Å; R330-Q333 PolarHBondContact O-N 2.68Å; R330-E334 WeakPolarHBondContact O-CG 3.35Å; R330-E334 PolarHBondContact O-N 3.39Å
331	V	97.9	Very high	97.5	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.018	30%	0.296	C	S	.	.	H	α-helix	trans	-64.5	-39.6	178.5	175	0	0	0	0	110.9	L284 C294 V327 L328 Q333 E334 S335 K338 V340	L284-V331 HydrophobicContact CD1-CG2 3.98Å; C294-V331 HydrophobicContact CB-CG2 4.08Å; V327-V331 HydrophobicContact CG1-CG2 4.22Å; V327-V331 WeakPolarHBondContact O-CG2 3.44Å; V327-V331 PolarHBondContact O-N 3.23Å; L328-V331 PolarHBondContact O-N 3.3Å; V331-Q333 VanDerWaalsContact C-N 3.3Å; V331-Q333 PolarHBondContact O-N 2.83Å; V331-E334 PolarHBondContact O-N 2.91Å; V331-S335 CarbonylContact O-C 3.59Å; V331-S335 WeakPolarHBondContact O-CA 3.35Å; V331-S335 PolarHBondContact O-N 2.93Å; V331-K338 HydrophobicContact CG1-CB 3.74Å; V331-K338 HydrophobicContact CG1-CG 4.18Å; V331-V340 HydrophobicContact CB-CG2 3.91Å; V331-V340 HydrophobicContact CG1-CG2 3.7Å; V331-V340 HydrophobicContact CG2-CG2 3.92Å
332	Q	97.8	Very high	97.5	Very high	112 Å²	112	54.3 Å²	54.3	52%	0.523	29%	0.288	S	S	.	.	H	α-helix	trans	-65.4	-33.5	178	-178.4	57.6	33.2	0	0	112.4	L328 E329 R330 P336	L328-Q332 WeakPolarHBondContact O-CB 3.36Å; L328-Q332 PolarHBondContact O-N 3.46Å; E329-Q332 PolarHBondContact O-N 3.36Å; R330-Q332 VanDerWaalsContact C-N 3.32Å; R330-Q332 PolarHBondContact O-N 2.96Å; Q332-P336 VanDerWaalsContact O-CG 3.31Å; Q332-P336 WeakPolarHBondContact O-CG 3.35Å
333	Q	97.1	Very high	97.6	Very high	128 Å²	128	48.4 Å²	48.4	60%	0.598	26%	0.257	S	S	*	.	H	α-helix	trans	-70.4	-45.5	174.8	-73.4	167.3	-0.5	0	0	111.7	E329 R330 V331	E329-Q333 WeakPolarHBondContact O-CB 3.39Å; E329-Q333 VanDerWaalsContact O-CG 3.25Å; E329-Q333 WeakPolarHBondContact O-CG 3.34Å; E329-Q333 PolarHBondContact O-N 3.44Å; R330-Q333 PolarHBondContact O-N 2.68Å; V331-Q333 VanDerWaalsContact C-N 3.3Å; V331-Q333 PolarHBondContact O-N 2.83Å
334	E	96.7	Very high	97.7	Very high	56 Å²	56	46.4 Å²	46.4	26%	0.262	25%	0.248	S	C	.	.	H	α-helix	trans	-91.8	-29.6	-170.8	-57	-52.7	161.4	0	0	114.7	E281 L284 H285 R330 V331	E281-E334 HydrophobicContact CG-CG 4.34Å; L284-E334 HydrophobicContact CB-CB 3.66Å; L284-E334 HydrophobicContact CB-CG 4.3Å; L284-E334 HydrophobicContact CD1-CB 3.92Å; L284-E334 HydrophobicContact CD1-CG 4.34Å; L284-E334 HydrophobicContact CG-CB 4.44Å; H285-E334 IonicContact CD2-OE2 2.79Å; H285-E334 PolarHBondContact CD2-OE2 3.21Å; H285-E334 IonicContact CE1-OE2 3.98Å; H285-E334 IonicContact NE2-OE1 3.77Å; H285-E334 PolarHBondContact NE2-OE1 3.24Å; H285-E334 IonicContact NE2-OE2 3.51Å; H285-E334 PolarHBondContact NE2-OE2 2.46Å; R330-E334 WeakPolarHBondContact O-CG 3.35Å; R330-E334 PolarHBondContact O-N 3.39Å; V331-E334 PolarHBondContact O-N 2.91Å
335	S	97.4	Very high	97.8	Very high	23 Å²	23	46.4 Å²	46.4	16%	0.161	25%	0.248	C	C	.	.	S	Bend	trans	-147.3	73.2	179.3	-160.7	0	0	0	0	110.8	V331 G337 K338	V331-S335 CarbonylContact O-C 3.59Å; V331-S335 WeakPolarHBondContact O-CA 3.35Å; V331-S335 PolarHBondContact O-N 2.93Å; S335-G337 PolarHBondContact O-N 2.95Å; S335-K338 WeakPolarHBondContact O-CB 3.36Å; S335-K338 PolarHBondContact O-N 2.72Å
336	P	97.5	Very high	97.8	Very high	89 Å²	89	43.5 Å²	43.5	58%	0.578	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-48.2	131	-179.4	-26.2	29.5	0	0	0	113.2	Q332 K338	Q332-P336 VanDerWaalsContact O-CG 3.31Å; Q332-P336 WeakPolarHBondContact O-CG 3.35Å; P336-K338 VanDerWaalsContact C-N 3.27Å; P336-K338 PolarHBondContact O-N 3Å
337	G	96.5	Very high	97.9	Very high	67 Å²	67	39.7 Å²	39.7	69%	0.691	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.1	4.6	178.9	0	0	0	0	0	115.7	S335 P339	S335-G337 PolarHBondContact O-N 2.95Å; G337-P339 WeakPolarHBondContact O-CD 3.41Å
338	K	98.4	Very high	97.8	Very high	42 Å²	42	39.6 Å²	39.6	18%	0.183	22%	0.215	C	C	.	.			trans	-67.1	126.6	171.4	-177.8	65.8	65.4	-177.3	0	110.1	A288 I291 C294 V331 S335 P336	A288-K338 VanDerWaalsContact O-CE 3.24Å; A288-K338 WeakPolarHBondContact O-CE 3.44Å; A288-K338 PolarHBondContact O-NZ 2.79Å; I291-K338 HydrophobicContact CG1-CD 4.37Å; I291-K338 PolarHBondContact O-NZ 2.75Å; C294-K338 HydrophobicContact CB-CG 4.2Å; V331-K338 HydrophobicContact CG1-CB 3.74Å; V331-K338 HydrophobicContact CG1-CG 4.18Å; S335-K338 WeakPolarHBondContact O-CB 3.36Å; S335-K338 PolarHBondContact O-N 2.72Å; P336-K338 VanDerWaalsContact C-N 3.27Å; P336-K338 PolarHBondContact O-N 3Å
339	P	98.5	Very high	97.7	Very high	47 Å²	47	41.5 Å²	41.5	31%	0.305	22%	0.22	S	C	.	.			trans	-58.2	143.9	173	-27	36.6	0	0	0	112.1	A293 C294 G337 D379	A293-P339 WeakPolarHBondContact CA-O 3.32Å; A293-P339 HydrophobicContact CB-CB 3.97Å; C294-P339 PolarHBondContact N-O 2.78Å; G337-P339 WeakPolarHBondContact O-CD 3.41Å; P339-D379 WeakPolarHBondContact CA-OD2 3.39Å; P339-D379 WeakPolarHBondContact CB-OD2 3.41Å
340	V	98.8	Very high	97.3	Very high	4 Å²	4	37 Å²	37	2%	0.024	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	124.6	-177.6	-176.8	0	0	0	0	110.3	C294 V327 L328 V331 L378 D379	C294-V340 HydrophobicContact CB-CG2 4.45Å; C294-V340 WeakPolarHBondContact O-CA 3.43Å; V327-V340 HydrophobicContact CG1-CG1 3.92Å; L328-V340 HydrophobicContact CD2-CB 3.83Å; L328-V340 HydrophobicContact CD2-CG1 4.2Å; L328-V340 HydrophobicContact CD2-CG2 3.83Å; V331-V340 HydrophobicContact CB-CG2 3.91Å; V331-V340 HydrophobicContact CG1-CG2 3.7Å; V331-V340 HydrophobicContact CG2-CG2 3.92Å; V340-L378 HydrophobicContact CB-CD2 4.25Å; V340-L378 HydrophobicContact CG1-CD2 3.8Å; V340-L378 WeakPolarHBondContact O-CA 3.41Å; V340-D379 PolarHBondContact N-OD2 3.3Å; V340-D379 PolarHBondContact O-N 2.92Å
341	W	98.9	Very high	97.1	Very high	15 Å²	15	34.1 Å²	34.1	6%	0.057	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	142.2	-172.4	-63.2	1.9	0	0	0	110.5	F91 I185 F265 A293 C294 T295 W296 G343 V380 M382	F91-W341 HydrophobicContact CD2-CH2 4.46Å; F91-W341 HydrophobicContact CD2-CZ3 4.46Å; F91-W341 HydrophobicContact CE1-CH2 4.25Å; F91-W341 AromaticContact CE2-CH2 3.6Å; F91-W341 HydrophobicContact CE2-CH2 3.6Å; F91-W341 HydrophobicContact CE2-CZ2 4.2Å; F91-W341 HydrophobicContact CE2-CZ3 4.02Å; F91-W341 AromaticContact CZ-CH2 3.44Å; F91-W341 HydrophobicContact CZ-CH2 3.44Å; F91-W341 VanDerWaalsContact CZ-CH2 3.44Å; F91-W341 HydrophobicContact CZ-CZ2 4.27Å; F91-W341 HydrophobicContact CZ-CZ3 4.04Å; I185-W341 HydrophobicContact CD1-CZ3 4.2Å; F265-W341 HydrophobicContact CD1-CE3 4.07Å; F265-W341 AromaticContact CD1-CH2 3.78Å; F265-W341 HydrophobicContact CD1-CH2 3.78Å; F265-W341 HydrophobicContact CD1-CZ2 4.48Å; F265-W341 AromaticContact CD1-CZ3 3.53Å; F265-W341 HydrophobicContact CD1-CZ3 3.53Å; F265-W341 AromaticContact CD2-CZ3 3.97Å; F265-W341 HydrophobicContact CD2-CZ3 3.97Å; F265-W341 HydrophobicContact CE1-CE3 4.33Å; F265-W341 AromaticContact CE1-CH2 3.19Å; F265-W341 HydrophobicContact CE1-CH2 3.19Å; F265-W341 AromaticContact CE1-CZ2 3.98Å; F265-W341 HydrophobicContact CE1-CZ2 3.98Å; F265-W341 AromaticContact CE1-CZ3 3.41Å; F265-W341 HydrophobicContact CE1-CZ3 3.41Å; F265-W341 VanDerWaalsContact CE1-CZ3 3.41Å; F265-W341 HydrophobicContact CE2-CH2 4.14Å; F265-W341 AromaticContact CE2-CZ3 3.85Å; F265-W341 HydrophobicContact CE2-CZ3 3.85Å; F265-W341 HydrophobicContact CG-CE3 4.28Å; F265-W341 HydrophobicContact CG-CH2 4.45Å; F265-W341 AromaticContact CG-CZ3 3.81Å; F265-W341 HydrophobicContact CG-CZ3 3.81Å; F265-W341 AromaticContact CZ-CH2 3.42Å; F265-W341 HydrophobicContact CZ-CH2 3.42Å; F265-W341 VanDerWaalsContact CZ-CH2 3.42Å; F265-W341 AromaticContact CZ-CZ3 3.58Å; F265-W341 HydrophobicContact CZ-CZ3 3.58Å; A293-W341 HydrophobicContact CB-CD2 3.59Å; A293-W341 VanDerWaalsContact CB-CE2 3.41Å; A293-W341 HydrophobicContact CB-CE3 4.17Å; A293-W341 HydrophobicContact CB-CG 3.9Å; A293-W341 HydrophobicContact CB-CH2 4.45Å; A293-W341 HydrophobicContact CB-CZ2 3.89Å; C294-W341 PolarHBondContact O-N 3.49Å; T295-W341 WeakPolarHBondContact CA-O 3.31Å; T295-W341 HydrophobicContact CG2-CB 4.08Å; T295-W341 HydrophobicContact CG2-CE3 4.33Å; W296-W341 PolarHBondContact N-O 3.16Å; W296-W341 VanDerWaalsContact N-O 3.07Å; W341-G343 PolarHBondContact O-N 3.47Å; W341-V380 WeakPolarHBondContact CA-O 3.37Å; W341-V380 HydrophobicContact CB-CB 4.18Å; W341-V380 HydrophobicContact CD2-CB 3.72Å; W341-V380 HydrophobicContact CD2-CG1 4.47Å; W341-V380 HydrophobicContact CD2-CG2 3.77Å; W341-V380 VanDerWaalsContact CE2-CG2 3.49Å; W341-V380 HydrophobicContact CE3-CB 4.2Å; W341-V380 HydrophobicContact CE3-CG1 4.47Å; W341-V380 HydrophobicContact CE3-CG2 4.3Å; W341-V380 HydrophobicContact CG-CB 3.7Å; W341-V380 HydrophobicContact CG-CG2 4.12Å; W341-V380 HydrophobicContact CH2-CG2 4.3Å; W341-V380 HydrophobicContact CZ2-CG2 3.8Å; W341-M382 HydrophobicContact CE3-CE 3.55Å; W341-M382 HydrophobicContact CZ3-CE 3.77Å
342	L	98.9	Very high	96.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	98.1	158.5	-82	172.3	0	0	0	108	W296 H298 L320 E344 T345 K369 L378 V380 V381 M382	W296-L342 HydrophobicContact CD2-CD2 3.72Å; W296-L342 VanDerWaalsContact CE2-CD2 3.41Å; W296-L342 HydrophobicContact CE3-CD2 4.1Å; W296-L342 HydrophobicContact CG-CD2 4.31Å; W296-L342 HydrophobicContact CH2-CD2 3.96Å; W296-L342 HydrophobicContact CZ2-CD2 3.55Å; W296-L342 HydrophobicContact CZ2-CG 4.12Å; W296-L342 HydrophobicContact CZ3-CD2 4.22Å; W296-L342 CarbonylContact O-C 3.53Å; W296-L342 VanDerWaalsContact O-CA 3.31Å; W296-L342 WeakPolarHBondContact O-CA 3.48Å; H298-L342 HydrophobicContact CB-CD2 3.59Å; L320-L342 HydrophobicContact CD1-CD1 4.35Å; L342-E344 VanDerWaalsContact C-N 3.31Å; L342-T345 HydrophobicContact CB-CG2 4.22Å; L342-T345 HydrophobicContact CD1-CG2 4.22Å; L342-K369 HydrophobicContact CD1-CD 4.22Å; L342-K369 HydrophobicContact CD1-CG 4.3Å; L342-L378 HydrophobicContact CD1-CD1 3.57Å; L342-L378 HydrophobicContact CG-CD1 3.73Å; L342-V380 PolarHBondContact N-O 2.77Å; L342-V381 HydrophobicContact CB-CG1 4.31Å; L342-V381 HydrophobicContact CD1-CG1 4.2Å; L342-V381 HydrophobicContact CD1-CG2 4.38Å; L342-M382 WeakPolarHBondContact O-CB 3.48Å; L342-M382 PolarHBondContact O-N 3.28Å
343	G	98.6	Very high	96.9	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-22.6	-178	0	0	0	0	0	113.5	R93 W296 W341 M382	R93-G343 WeakPolarHBondContact CD-O 3.42Å; W296-G343 PolarHBondContact O-N 3.23Å; W341-G343 PolarHBondContact O-N 3.47Å; G343-M382 WeakPolarHBondContact O-CB 3.44Å
344	E	98.6	Very high	96.8	Very high	10 Å²	10	34.1 Å²	34.1	5%	0.047	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	125.8	174	-169.6	-169.2	105.6	0	0	109.1	R93 N224 H297 H298 Y299 L342 Q384	R93-E344 IonicContact CZ-OE2 2.86Å; R93-E344 IonicContact NH1-OE2 3.81Å; R93-E344 PolarHBondContact NH1-OE2 2.77Å; N224-E344 PolarHBondContact OD1-OE2 2.76Å; H297-E344 WeakPolarHBondContact CA-O 3.26Å; H297-E344 HydrophobicContact CB-CB 4.29Å; H297-E344 WeakPolarHBondContact CB-O 3.1Å; H297-E344 VanDerWaalsContact CD2-CB 3.44Å; H297-E344 WeakPolarHBondContact CD2-CB 3.4Å; H297-E344 VanDerWaalsContact CE1-CB 3.43Å; H297-E344 WeakPolarHBondContact CE1-CB 3.41Å; H297-E344 VanDerWaalsContact CE1-CD 3.49Å; H297-E344 IonicContact CE1-OE1 3.69Å; H297-E344 IonicContact CE1-OE2 3.97Å; H297-E344 PolarHBondContact CE1-OE2 3.24Å; H297-E344 VanDerWaalsContact CE1-OE2 3.23Å; H297-E344 IonicContact ND1-OE1 2.71Å; H297-E344 PolarHBondContact ND1-OE1 3.11Å; H297-E344 IonicContact ND1-OE2 2.79Å; H297-E344 WeakPolarHBondContact NE2-CB 3.49Å; H298-E344 PolarHBondContact N-O 3Å; Y299-E344 WeakPolarHBondContact OH-CG 3.46Å; Y299-E344 PolarHBondContact OH-OE1 2.76Å; L342-E344 VanDerWaalsContact C-N 3.31Å; E344-Q384 HydrophobicContact CG-CB 3.8Å; E344-Q384 HydrophobicContact CG-CG 4.11Å
345	T	98.7	Very high	96.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	147	179.5	-166.6	0	0	0	0	113.8	H298 L342 W366 K369 V381 M382 Q384	H298-T345 VanDerWaalsContact O-CA 3.29Å; H298-T345 WeakPolarHBondContact O-CA 3.39Å; H298-T345 WeakPolarHBondContact O-CB 3.4Å; H298-T345 PolarHBondContact O-OG1 2.59Å; L342-T345 HydrophobicContact CB-CG2 4.22Å; L342-T345 HydrophobicContact CD1-CG2 4.22Å; T345-W366 HydrophobicContact CG2-CZ3 4.24Å; T345-K369 HydrophobicContact CG2-CD 3.62Å; T345-K369 VanDerWaalsContact OG1-CD 3.31Å; T345-K369 WeakPolarHBondContact OG1-CD 3.49Å; T345-K369 VanDerWaalsContact OG1-CE 3.27Å; T345-K369 WeakPolarHBondContact OG1-CE 3.48Å; T345-K369 PolarHBondContact OG1-NZ 2.76Å; T345-V381 HydrophobicContact CG2-CG1 3.61Å; T345-M382 PolarHBondContact N-O 2.9Å; T345-Q384 PolarHBondContact O-N 3.42Å
346	S	98.2	Very high	96.8	Very high	2 Å²	2	32 Å²	32	1%	0.014	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	-169.4	174.9	-149.9	0	0	0	0	112.7	H298 K369 Q384 Y392	H298-S346 PolarHBondContact O-N 3.5Å; S346-K369 PolarHBondContact O-NZ 3.05Å; S346-Q384 VanDerWaalsContact CB-O 3.28Å; S346-Q384 WeakPolarHBondContact CB-O 3.48Å; S346-Q384 PolarHBondContact OG-O 3.15Å; S346-Y392 VanDerWaalsContact OG-CB 3.28Å; S346-Y392 WeakPolarHBondContact OG-CB 3.49Å
347	S	97.9	Very high	96.8	Very high	4 Å²	4	27.9 Å²	27.9	3%	0.028	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	-62.7	173.6	51	0	0	0	0	111.2	Y300 V301 S357	Y300-S347 WeakPolarHBondContact CB-O 3.37Å; Y300-S347 PolarHBondContact N-O 2.64Å; V301-S347 PolarHBondContact N-O 3.38Å; S347-S357 WeakPolarHBondContact OG-CB 3.37Å; S347-S357 PolarHBondContact OG-OG 3.06Å
348	A	97.3	Very high	96.9	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	139.6	-171.8	0	0	0	0	0	112.4	Y299 V301 G352 A353	Y299-A348 VanDerWaalsContact CD1-C 3.49Å; Y299-A348 WeakPolarHBondContact CD1-O 3.47Å; V301-A348 HydrophobicContact CG2-CB 3.59Å; V301-A348 CarbonylContact O-C 3.54Å; V301-A348 WeakPolarHBondContact O-CA 3.17Å; A348-G352 WeakPolarHBondContact O-CA 3.2Å; A348-G352 PolarHBondContact O-N 2.91Å; A348-A353 HydrophobicContact CB-CB 4.13Å
349	Y	93.9	Very high	96.9	Very high	78 Å²	78	23.5 Å²	23.5	31%	0.306	12%	0.121	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	167.6	175	63.8	-98.5	0	0	0	111.4	V301 N302 G303	V301-Y349 WeakPolarHBondContact O-CD1 3.34Å; V301-Y349 WeakPolarHBondContact O-CE1 3.37Å; V301-Y349 PolarHBondContact O-N 2.79Å; N302-Y349 VanDerWaalsContact CA-CE1 3.49Å; N302-Y349 VanDerWaalsContact CA-CZ 3.46Å; N302-Y349 HydrophobicContact CB-CE1 3.88Å; N302-Y349 HydrophobicContact CB-CE2 3.9Å; N302-Y349 VanDerWaalsContact CB-OH 3.22Å; N302-Y349 WeakPolarHBondContact CB-OH 3.25Å; N302-Y349 VanDerWaalsContact CG-CE2 3.48Å; N302-Y349 VanDerWaalsContact CG-CZ 3.47Å; N302-Y349 VanDerWaalsContact CG-OH 3.29Å; N302-Y349 PolarHBondContact ND2-OH 2.95Å; N302-Y349 WeakPolarHBondContact OD1-CE2 3.28Å; G303-Y349 WeakPolarHBondContact CA-O 3.22Å; G303-Y349 PolarHBondContact N-O 2.87Å
350	G	90.3	Very high	96.9	Very high	26 Å²	26	21.4 Å²	21.4	27%	0.268	11%	0.107	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.9	35.3	-179.2	0	0	0	0	0	113.4	E155	E155-G350 WeakPolarHBondContact OE1-CA 3.12Å
351	G	90.7	Very high	96.9	Very high	11 Å²	11	21.2 Å²	21.2	11%	0.113	11%	0.106	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.7	14.4	-176.5	0	0	0	0	0	114.6	G390 S391 Y392	G351-G390 CarbonylContact O-C 3.54Å; G351-G390 WeakPolarHBondContact O-CA 3.35Å; G351-S391 PolarHBondContact O-N 3.35Å; G351-S391 PolarHBondContact O-OG 2.98Å; G351-S391 VanDerWaalsContact O-OG 3.09Å; G351-Y392 VanDerWaalsContact C-CD1 3.49Å; G351-Y392 VanDerWaalsContact C-CE1 3.41Å; G351-Y392 VanDerWaalsContact CA-CE1 3.43Å
352	G	95.3	Very high	96.8	Very high	8 Å²	8	20.6 Å²	20.6	8%	0.082	10%	0.104	C	C	.	.			trans	86.5	169.3	-179.2	0	0	0	0	0	114	A348 S391 Y392	A348-G352 WeakPolarHBondContact O-CA 3.2Å; A348-G352 PolarHBondContact O-N 2.91Å; G352-S391 WeakPolarHBondContact CA-OG 3.49Å; G352-S391 PolarHBondContact O-OG 2.9Å; G352-Y392 VanDerWaalsContact N-CD1 3.28Å
353	A	97.1	Very high	96.8	Very high	2 Å²	2	20.7 Å²	20.7	2%	0.017	11%	0.105	C	C	.	.			trans	-96.2	111.7	175.7	0	0	0	0	0	110.2	T306 F311 A348 G355 L356 S357 S391	T306-A353 HydrophobicContact CG2-CB 3.5Å; T306-A353 VanDerWaalsContact CG2-CB 3.5Å; F311-A353 HydrophobicContact CE2-CB 4.12Å; F311-A353 HydrophobicContact CZ-CB 3.99Å; A348-A353 HydrophobicContact CB-CB 4.13Å; A353-G355 PolarHBondContact O-N 2.81Å; A353-L356 HydrophobicContact CB-CB 4.04Å; A353-L356 HydrophobicContact CB-CD1 4.24Å; A353-L356 PolarHBondContact O-N 3.4Å; A353-S357 PolarHBondContact N-OG 3.05Å; A353-S357 PolarHBondContact O-N 2.58Å; A353-S357 PolarHBondContact O-OG 3.23Å; A353-S391 PolarHBondContact N-OG 3.25Å
354	R	94.2	Very high	96.8	Very high	233 Å²	233	20.7 Å²	20.7	88%	0.879	11%	0.105	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.8	128.3	-176.1	-175.3	177.9	-178.9	174.6	1.8	111.7	L356	R354-L356 PolarHBondContact O-N 2.98Å
355	G	95.4	Very high	96.8	Very high	23 Å²	23	20.3 Å²	20.3	24%	0.237	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.8	8.2	-179.2	0	0	0	0	0	114.2	A353 D358 T359 Q496	A353-G355 PolarHBondContact O-N 2.81Å; G355-D358 VanDerWaalsContact CA-OD1 3.3Å; G355-D358 WeakPolarHBondContact CA-OD1 3.28Å; G355-D358 PolarHBondContact N-OD1 3.27Å; G355-T359 WeakPolarHBondContact O-CG2 3.38Å; G355-Q496 PolarHBondContact O-NE2 3.11Å; G355-Q496 VanDerWaalsContact O-NE2 3.15Å
356	L	98.1	Very high	96.8	Very high	12 Å²	12	20.5 Å²	20.5	6%	0.063	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-131.3	-44.4	176.4	-63.4	176	0	0	0	111.5	T306 L308 F311 A353 R354 T359 V361 S362 Q496	T306-L356 HydrophobicContact CG2-CD1 4.25Å; L308-L356 HydrophobicContact CB-CD2 4.14Å; L308-L356 HydrophobicContact CD1-CD2 3.87Å; F311-L356 HydrophobicContact CD1-CB 4.41Å; F311-L356 HydrophobicContact CD2-CB 4.38Å; F311-L356 HydrophobicContact CD2-CD1 4.15Å; F311-L356 HydrophobicContact CE1-CB 3.99Å; F311-L356 HydrophobicContact CE2-CB 3.97Å; F311-L356 HydrophobicContact CE2-CD1 3.99Å; F311-L356 HydrophobicContact CZ-CB 3.76Å; A353-L356 HydrophobicContact CB-CB 4.04Å; A353-L356 HydrophobicContact CB-CD1 4.24Å; A353-L356 PolarHBondContact O-N 3.4Å; R354-L356 PolarHBondContact O-N 2.98Å; L356-T359 WeakPolarHBondContact CA-OG1 3.47Å; L356-T359 PolarHBondContact O-OG1 3.05Å; L356-V361 HydrophobicContact CB-CG1 4.41Å; L356-V361 HydrophobicContact CD2-CG1 4.11Å; L356-S362 WeakPolarHBondContact O-CB 3.14Å; L356-Q496 HydrophobicContact CD2-CG 4.13Å
357	S	98.4	Very high	96.9	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.014	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-19.2	-178	-60.3	0	0	0	0	114	S347 A353 S362 S391	S347-S357 WeakPolarHBondContact OG-CB 3.37Å; S347-S357 PolarHBondContact OG-OG 3.06Å; A353-S357 PolarHBondContact N-OG 3.05Å; A353-S357 PolarHBondContact O-N 2.58Å; A353-S357 PolarHBondContact O-OG 3.23Å; S357-S362 PolarHBondContact O-OG 3.4Å; S357-S391 CarbonylContact C-O 3.52Å; S357-S391 VanDerWaalsContact CB-O 3.3Å; S357-S391 WeakPolarHBondContact CB-O 3.09Å
358	D	97.8	Very high	96.9	Very high	15 Å²	15	20.2 Å²	20.2	8%	0.08	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	7.3	176.1	56.2	-30.7	0	0	0	112.4	G355 S391 L402 R498	G355-D358 VanDerWaalsContact CA-OD1 3.3Å; G355-D358 WeakPolarHBondContact CA-OD1 3.28Å; G355-D358 PolarHBondContact N-OD1 3.27Å; D358-S391 WeakPolarHBondContact CA-O 3.24Å; D358-S391 VanDerWaalsContact CB-O 3.29Å; D358-S391 WeakPolarHBondContact CB-O 3.36Å; D358-S391 PolarHBondContact N-O 2.86Å; D358-L402 HydrophobicContact CB-CD1 3.67Å; D358-R498 WeakPolarHBondContact O-CG 3.45Å; D358-R498 WeakPolarHBondContact OD2-CD 3.33Å; D358-R498 IonicContact OD2-CZ 3.53Å; D358-R498 IonicContact OD2-NE 2.89Å; D358-R498 IonicContact OD2-NH1 2.68Å; D358-R498 PolarHBondContact OD2-NH1 3.34Å
359	T	98.4	Very high	97	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.006	10%	0.102	C	C	.	.	S	Bend	trans	-123.1	171.2	-169	69.8	0	0	0	0	112.7	G355 L356 V361 S362 L495 Q496 S497 R498	G355-T359 WeakPolarHBondContact O-CG2 3.38Å; L356-T359 WeakPolarHBondContact CA-OG1 3.47Å; L356-T359 PolarHBondContact O-OG1 3.05Å; T359-V361 PolarHBondContact O-N 3.33Å; T359-V361 VanDerWaalsContact O-N 3.16Å; T359-S362 VanDerWaalsContact O-CB 3.31Å; T359-S362 WeakPolarHBondContact O-CB 3.39Å; T359-S362 PolarHBondContact O-N 2.8Å; T359-L495 PolarHBondContact OG1-O 2.8Å; T359-Q496 VanDerWaalsContact CB-C 3.48Å; T359-Q496 WeakPolarHBondContact CB-O 3.43Å; T359-Q496 WeakPolarHBondContact CG2-O 3.13Å; T359-S497 CarbonylContact C-O 3.39Å; T359-S497 VanDerWaalsContact CA-O 3.27Å; T359-S497 WeakPolarHBondContact CA-O 3.29Å; T359-S497 WeakPolarHBondContact CB-O 3.42Å; T359-R498 HydrophobicContact CG2-CG 3.98Å
360	F	98.6	Very high	97.2	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.018	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-33.8	-175.3	-178.7	-100.1	0	0	0	113.3	S362 G363 F364 P403 L485 L495 S497 V500 Y534 L536	F360-S362 PolarHBondContact O-N 3.41Å; F360-G363 PolarHBondContact O-N 3.44Å; F360-F364 HydrophobicContact CE1-CE2 4.27Å; F360-F364 HydrophobicContact CE1-CZ 4.28Å; F360-P403 HydrophobicContact CB-CB 4.47Å; F360-P403 HydrophobicContact CB-CG 4.48Å; F360-P403 HydrophobicContact CD2-CB 4.48Å; F360-L485 HydrophobicContact CE2-CB 4.12Å; F360-L485 WeakPolarHBondContact CZ-O 3.3Å; F360-L495 HydrophobicContact CD1-CD2 3.95Å; F360-L495 HydrophobicContact CE1-CD2 4.27Å; F360-L495 PolarHBondContact N-O 3.19Å; F360-S497 PolarHBondContact N-O 2.99Å; F360-V500 HydrophobicContact CD2-CB 4.25Å; F360-V500 HydrophobicContact CD2-CG2 3.74Å; F360-V500 HydrophobicContact CE2-CG2 3.74Å; F360-Y534 WeakPolarHBondContact CE1-O 3.42Å; F360-L536 HydrophobicContact CZ-CG 4.29Å
361	V	98.6	Very high	97.6	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-28.5	179	77.5	0	0	0	0	113.3	L308 F311 L312 L356 T359 G363 F364 L495	L308-V361 HydrophobicContact CD1-CB 4.01Å; L308-V361 HydrophobicContact CD1-CG1 3.95Å; L308-V361 HydrophobicContact CD1-CG2 3.7Å; F311-V361 HydrophobicContact CB-CG1 4.2Å; F311-V361 HydrophobicContact CB-CG2 3.76Å; F311-V361 HydrophobicContact CD1-CG1 3.83Å; F311-V361 HydrophobicContact CG-CG1 4.23Å; L312-V361 HydrophobicContact CD2-CG2 3.7Å; L312-V361 HydrophobicContact CG-CG2 3.9Å; L356-V361 HydrophobicContact CB-CG1 4.41Å; L356-V361 HydrophobicContact CD2-CG1 4.11Å; T359-V361 PolarHBondContact O-N 3.33Å; T359-V361 VanDerWaalsContact O-N 3.16Å; V361-G363 PolarHBondContact O-N 3.09Å; V361-F364 HydrophobicContact CG2-CD2 4.08Å; V361-F364 HydrophobicContact CG2-CE2 4.46Å; V361-F364 WeakPolarHBondContact O-CD2 3.29Å; V361-F364 PolarHBondContact O-N 2.82Å; V361-L495 HydrophobicContact CB-CB 4.13Å; V361-L495 WeakPolarHBondContact CB-O 3.01Å; V361-L495 HydrophobicContact CG2-CB 4.38Å; V361-L495 HydrophobicContact CG2-CD2 4.46Å; V361-L495 PolarHBondContact N-O 3.08Å
362	S	98.5	Very high	98	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.007	7%	0.07	C	C	.	.	H	α-helix	trans	-58.6	-28.9	173.9	-174.3	0	0	0	0	112.2	L356 S357 T359 F360 F364 M365 W366 D404	L356-S362 WeakPolarHBondContact O-CB 3.14Å; S357-S362 PolarHBondContact O-OG 3.4Å; T359-S362 VanDerWaalsContact O-CB 3.31Å; T359-S362 WeakPolarHBondContact O-CB 3.39Å; T359-S362 PolarHBondContact O-N 2.8Å; F360-S362 PolarHBondContact O-N 3.41Å; S362-F364 PolarHBondContact O-N 2.95Å; S362-F364 VanDerWaalsContact O-N 3.17Å; S362-M365 PolarHBondContact O-N 3.48Å; S362-M365 VanDerWaalsContact O-N 3.13Å; S362-W366 PolarHBondContact O-N 3.36Å; S362-D404 WeakPolarHBondContact CB-OD2 3.23Å; S362-D404 PolarHBondContact OG-OD2 2.87Å
363	G	98.6	Very high	98.1	Very high	3 Å²	3	14.5 Å²	14.5	3%	0.031	7%	0.066	C	C	.	.	H	α-helix	trans	-59.4	-29.3	-179.1	0	0	0	0	0	113.7	F360 V361 W366 L367 D404 L407 L536	F360-G363 PolarHBondContact O-N 3.44Å; V361-G363 PolarHBondContact O-N 3.09Å; G363-W366 PolarHBondContact O-N 3.02Å; G363-L367 VanDerWaalsContact O-CB 3.27Å; G363-L367 WeakPolarHBondContact O-CB 3.43Å; G363-L367 PolarHBondContact O-N 3.15Å; G363-D404 WeakPolarHBondContact CA-OD1 3.43Å; G363-D404 PolarHBondContact N-OD1 2.84Å; G363-D404 VanDerWaalsContact N-OD1 3.14Å; G363-L407 WeakPolarHBondContact O-CD2 3.45Å; G363-L536 VanDerWaalsContact C-CD2 3.45Å
364	F	98.7	Very high	98.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	7%	0.065	C	C	.	.	H	α-helix	trans	-66.2	-50.8	175.1	-65.5	-71.1	0	0	0	111.4	L312 F360 V361 S362 W366 D368 M460 L462 L495 L536	L312-F364 HydrophobicContact CD2-CD2 3.72Å; L312-F364 HydrophobicContact CD2-CE2 3.85Å; L312-F364 HydrophobicContact CD2-CG 4.42Å; F360-F364 HydrophobicContact CE1-CE2 4.27Å; F360-F364 HydrophobicContact CE1-CZ 4.28Å; V361-F364 HydrophobicContact CG2-CD2 4.08Å; V361-F364 HydrophobicContact CG2-CE2 4.46Å; V361-F364 WeakPolarHBondContact O-CD2 3.29Å; V361-F364 PolarHBondContact O-N 2.82Å; S362-F364 PolarHBondContact O-N 2.95Å; S362-F364 VanDerWaalsContact O-N 3.17Å; F364-W366 VanDerWaalsContact C-N 3.27Å; F364-W366 PolarHBondContact O-N 3.05Å; F364-D368 WeakPolarHBondContact O-CB 3.3Å; F364-D368 PolarHBondContact O-N 3.09Å; F364-M460 HydrophobicContact CD1-CB 4.15Å; F364-M460 HydrophobicContact CD1-CG 4.27Å; F364-M460 HydrophobicContact CD1-SD 4.48Å; F364-M460 HydrophobicContact CE1-CB 4.46Å; F364-L462 HydrophobicContact CB-CD2 4.43Å; F364-L462 HydrophobicContact CD1-CD1 3.96Å; F364-L462 HydrophobicContact CD1-CD2 4.48Å; F364-L462 HydrophobicContact CD1-CG 3.75Å; F364-L462 HydrophobicContact CE1-CD1 4.45Å; F364-L462 HydrophobicContact CE1-CG 4.17Å; F364-L462 HydrophobicContact CG-CG 4.2Å; F364-L495 HydrophobicContact CE2-CD2 3.79Å; F364-L495 HydrophobicContact CZ-CD2 4.45Å; F364-L536 HydrophobicContact CD1-CD2 3.95Å; F364-L536 HydrophobicContact CE1-CB 4.27Å; F364-L536 HydrophobicContact CE1-CD2 4.06Å; F364-L536 HydrophobicContact CG-CD2 4.28Å; F364-L536 HydrophobicContact CZ-CD2 4.45Å
365	M	98.8	Very high	98.4	Very high	1 Å²	1	8.6 Å²	8.6	1%	0.005	4%	0.043	C	C	.	.	H	α-helix	trans	-61.2	-38.1	175.2	-78.9	-179.1	166.9	0	0	111.7	Y300 V301 F311 V316 L317 S362 K369	Y300-M365 HydrophobicContact CD2-CB 3.98Å; Y300-M365 HydrophobicContact CD2-CE 4.32Å; Y300-M365 HydrophobicContact CD2-CG 3.89Å; Y300-M365 HydrophobicContact CD2-SD 3.77Å; Y300-M365 HydrophobicContact CE2-CB 3.78Å; Y300-M365 HydrophobicContact CE2-CG 4.04Å; Y300-M365 HydrophobicContact CE2-SD 4.5Å; Y300-M365 HydrophobicContact CG-CE 4.06Å; Y300-M365 HydrophobicContact CG-CG 4.41Å; Y300-M365 HydrophobicContact CG-SD 4.13Å; Y300-M365 PolarHBondContact OH-O 3.08Å; V301-M365 HydrophobicContact CG1-CE 4.16Å; F311-M365 HydrophobicContact CB-CE 4.42Å; F311-M365 HydrophobicContact CD1-CE 4.48Å; F311-M365 HydrophobicContact CD1-SD 3.79Å; F311-M365 HydrophobicContact CD2-CE 4.18Å; F311-M365 HydrophobicContact CD2-SD 4.39Å; F311-M365 HydrophobicContact CE1-SD 3.94Å; F311-M365 HydrophobicContact CG-CE 4.12Å; F311-M365 HydrophobicContact CG-SD 4.03Å; F311-M365 HydrophobicContact CZ-SD 4.29Å; V316-M365 HydrophobicContact CG1-CE 3.66Å; L317-M365 HydrophobicContact CD2-CB 4.27Å; L317-M365 HydrophobicContact CD2-CG 3.62Å; S362-M365 PolarHBondContact O-N 3.48Å; S362-M365 VanDerWaalsContact O-N 3.13Å; M365-K369 VanDerWaalsContact O-CB 3.26Å; M365-K369 WeakPolarHBondContact O-CB 3.41Å; M365-K369 PolarHBondContact O-N 3.21Å; M365-K369 VanDerWaalsContact O-N 3.13Å
366	W	98.9	Very high	98.5	Very high	5 Å²	5	9 Å²	9	2%	0.019	4%	0.04	C	C	.	.	H	α-helix	trans	-72.5	-50.1	-177.3	-178.1	-136.2	0	0	0	113	L57 T345 S362 G363 F364 D368 K369 L370 V381 R383 L407 S408	L57-W366 HydrophobicContact CD1-CZ2 4.15Å; L57-W366 HydrophobicContact CD2-CZ2 4.38Å; L57-W366 HydrophobicContact CG-CZ2 3.89Å; T345-W366 HydrophobicContact CG2-CZ3 4.24Å; S362-W366 PolarHBondContact O-N 3.36Å; G363-W366 PolarHBondContact O-N 3.02Å; F364-W366 VanDerWaalsContact C-N 3.27Å; F364-W366 PolarHBondContact O-N 3.05Å; W366-D368 VanDerWaalsContact C-N 3.32Å; W366-D368 PolarHBondContact O-N 2.76Å; W366-K369 HydrophobicContact CE3-CB 4.4Å; W366-K369 HydrophobicContact CE3-CD 4.29Å; W366-K369 HydrophobicContact CZ3-CD 4.14Å; W366-K369 HydrophobicContact CZ3-CG 4.49Å; W366-K369 WeakPolarHBondContact O-CB 3.34Å; W366-K369 PolarHBondContact O-N 2.98Å; W366-L370 HydrophobicContact CD2-CD1 4.26Å; W366-L370 HydrophobicContact CD2-CG 4.35Å; W366-L370 HydrophobicContact CE3-CG 4.43Å; W366-L370 HydrophobicContact CH2-CD1 4.49Å; W366-L370 HydrophobicContact CH2-CD2 3.72Å; W366-L370 HydrophobicContact CH2-CG 4.14Å; W366-L370 HydrophobicContact CZ2-CD1 3.94Å; W366-L370 HydrophobicContact CZ2-CD2 3.89Å; W366-L370 HydrophobicContact CZ2-CG 4.08Å; W366-L370 HydrophobicContact CZ3-CD2 4.22Å; W366-L370 HydrophobicContact CZ3-CG 4.32Å; W366-L370 PolarHBondContact O-N 2.66Å; W366-L370 VanDerWaalsContact O-N 3.16Å; W366-V381 HydrophobicContact CH2-CG1 3.85Å; W366-V381 HydrophobicContact CZ3-CG1 3.75Å; W366-R383 HydrophobicContact CH2-CB 3.69Å; W366-R383 HydrophobicContact CH2-CG 4.39Å; W366-R383 HydrophobicContact CZ2-CB 3.83Å; W366-R383 HydrophobicContact CZ2-CG 4.27Å; W366-R383 HydrophobicContact CZ3-CB 4.32Å; W366-L407 HydrophobicContact CB-CD2 4.34Å; W366-L407 HydrophobicContact CG-CD2 4.43Å; W366-S408 PolarHBondContact NE1-OG 2.79Å
367	L	98.9	Very high	98.4	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-66.8	-36.8	179.4	-171	57.2	0	0	0	111.6	G363 K369 L370 G371 L407 Y411 I458 M460 L536 F538	G363-L367 VanDerWaalsContact O-CB 3.27Å; G363-L367 WeakPolarHBondContact O-CB 3.43Å; G363-L367 PolarHBondContact O-N 3.15Å; L367-K369 VanDerWaalsContact C-N 3.33Å; L367-K369 PolarHBondContact O-N 3.34Å; L367-L370 PolarHBondContact O-N 2.87Å; L367-G371 PolarHBondContact O-N 3.48Å; L367-L407 HydrophobicContact CB-CD1 4.3Å; L367-L407 HydrophobicContact CB-CD2 4.03Å; L367-L407 HydrophobicContact CD1-CD1 4Å; L367-L407 HydrophobicContact CD2-CD1 4.07Å; L367-L407 HydrophobicContact CG-CD1 4.35Å; L367-Y411 HydrophobicContact CD1-CD2 4.11Å; L367-I458 HydrophobicContact CD1-CG2 3.51Å; L367-I458 HydrophobicContact CD2-CG2 3.61Å; L367-I458 HydrophobicContact CG-CG2 3.56Å; L367-M460 HydrophobicContact CB-CE 4.45Å; L367-M460 HydrophobicContact CB-CG 4.44Å; L367-M460 HydrophobicContact CB-SD 3.83Å; L367-M460 HydrophobicContact CD2-CG 3.81Å; L367-M460 HydrophobicContact CD2-SD 4.24Å; L367-M460 HydrophobicContact CG-CE 4.32Å; L367-M460 HydrophobicContact CG-CG 4.35Å; L367-M460 HydrophobicContact CG-SD 4.15Å; L367-L536 HydrophobicContact CD2-CB 4.05Å; L367-L536 HydrophobicContact CD2-CD1 4Å; L367-L536 HydrophobicContact CD2-CG 4.48Å; L367-F538 HydrophobicContact CD1-CE1 4.11Å; L367-F538 HydrophobicContact CD1-CZ 3.97Å
368	D	98.8	Very high	98.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	4%	0.04	C	C	.	.	H	α-helix	trans	-61.4	-43.8	174.7	-163.1	62.4	0	0	0	112	L317 F364 W366 L370 G371 L372 R435 Y437 M460	L317-D368 HydrophobicContact CD1-CB 4.29Å; L317-D368 HydrophobicContact CD2-CB 4.38Å; F364-D368 WeakPolarHBondContact O-CB 3.3Å; F364-D368 PolarHBondContact O-N 3.09Å; W366-D368 VanDerWaalsContact C-N 3.32Å; W366-D368 PolarHBondContact O-N 2.76Å; D368-L370 VanDerWaalsContact C-N 3.33Å; D368-L370 PolarHBondContact O-N 3.43Å; D368-G371 PolarHBondContact O-N 3.37Å; D368-L372 WeakPolarHBondContact O-CB 3.42Å; D368-L372 PolarHBondContact O-N 2.92Å; D368-R435 VanDerWaalsContact CG-NE 3.27Å; D368-R435 WeakPolarHBondContact OD1-CD 3.48Å; D368-R435 IonicContact OD1-CZ 3.25Å; D368-R435 IonicContact OD1-NE 3.1Å; D368-R435 PolarHBondContact OD1-NE 3.26Å; D368-R435 IonicContact OD1-NH2 3.45Å; D368-R435 PolarHBondContact OD1-NH2 3.44Å; D368-R435 IonicContact OD2-CZ 3.6Å; D368-R435 IonicContact OD2-NE 3.47Å; D368-R435 PolarHBondContact OD2-NE 3.05Å; D368-R435 IonicContact OD2-NH2 2.67Å; D368-R435 PolarHBondContact OD2-NH2 2.54Å; D368-Y437 PolarHBondContact OD1-OH 2.99Å; D368-M460 HydrophobicContact CB-CE 3.88Å; D368-M460 HydrophobicContact CB-SD 4.07Å; D368-M460 WeakPolarHBondContact OD1-CE 3.35Å
369	K	98.8	Very high	98.4	Very high	1 Å²	1	10.1 Å²	10.1	0%	0.004	5%	0.047	C	C	.	.	H	α-helix	trans	-59.8	-42.9	177.5	-177.4	167.4	-66.6	162.3	0	112.8	L320 L342 T345 S346 M365 W366 L367 G373 V381	L320-K369 HydrophobicContact CD2-CB 3.92Å; L320-K369 HydrophobicContact CD2-CG 3.71Å; L342-K369 HydrophobicContact CD1-CD 4.22Å; L342-K369 HydrophobicContact CD1-CG 4.3Å; T345-K369 HydrophobicContact CG2-CD 3.62Å; T345-K369 VanDerWaalsContact OG1-CD 3.31Å; T345-K369 WeakPolarHBondContact OG1-CD 3.49Å; T345-K369 VanDerWaalsContact OG1-CE 3.27Å; T345-K369 WeakPolarHBondContact OG1-CE 3.48Å; T345-K369 PolarHBondContact OG1-NZ 2.76Å; S346-K369 PolarHBondContact O-NZ 3.05Å; M365-K369 VanDerWaalsContact O-CB 3.26Å; M365-K369 WeakPolarHBondContact O-CB 3.41Å; M365-K369 PolarHBondContact O-N 3.21Å; M365-K369 VanDerWaalsContact O-N 3.13Å; W366-K369 HydrophobicContact CE3-CB 4.4Å; W366-K369 HydrophobicContact CE3-CD 4.29Å; W366-K369 HydrophobicContact CZ3-CD 4.14Å; W366-K369 HydrophobicContact CZ3-CG 4.49Å; W366-K369 WeakPolarHBondContact O-CB 3.34Å; W366-K369 PolarHBondContact O-N 2.98Å; L367-K369 VanDerWaalsContact C-N 3.33Å; L367-K369 PolarHBondContact O-N 3.34Å; K369-G373 WeakPolarHBondContact O-CA 3.05Å; K369-G373 PolarHBondContact O-N 3.24Å; K369-V381 HydrophobicContact CD-CG1 4.36Å; K369-V381 HydrophobicContact CG-CG1 4.3Å
370	L	98.9	Very high	98.4	Very high	0 Å²	0	10 Å²	10	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-64.2	-49	177.1	-68.9	171.3	0	0	0	111.1	F56 L57 W366 L367 D368 A374 V381 Y411	F56-L370 HydrophobicContact CD1-CD2 4.22Å; F56-L370 HydrophobicContact CE1-CB 4.18Å; F56-L370 HydrophobicContact CE1-CD2 3.73Å; F56-L370 WeakPolarHBondContact CE1-O 3.33Å; F56-L370 VanDerWaalsContact CZ-O 3.32Å; F56-L370 WeakPolarHBondContact CZ-O 3.22Å; L57-L370 HydrophobicContact CB-CD2 4.1Å; L57-L370 HydrophobicContact CD1-CD1 3.73Å; L57-L370 HydrophobicContact CD1-CD2 4.28Å; L57-L370 HydrophobicContact CG-CD1 4.41Å; L57-L370 HydrophobicContact CG-CD2 4.1Å; W366-L370 HydrophobicContact CD2-CD1 4.26Å; W366-L370 HydrophobicContact CD2-CG 4.35Å; W366-L370 HydrophobicContact CE3-CG 4.43Å; W366-L370 HydrophobicContact CH2-CD1 4.49Å; W366-L370 HydrophobicContact CH2-CD2 3.72Å; W366-L370 HydrophobicContact CH2-CG 4.14Å; W366-L370 HydrophobicContact CZ2-CD1 3.94Å; W366-L370 HydrophobicContact CZ2-CD2 3.89Å; W366-L370 HydrophobicContact CZ2-CG 4.08Å; W366-L370 HydrophobicContact CZ3-CD2 4.22Å; W366-L370 HydrophobicContact CZ3-CG 4.32Å; W366-L370 PolarHBondContact O-N 2.66Å; W366-L370 VanDerWaalsContact O-N 3.16Å; L367-L370 PolarHBondContact O-N 2.87Å; D368-L370 VanDerWaalsContact C-N 3.33Å; D368-L370 PolarHBondContact O-N 3.43Å; L370-A374 VanDerWaalsContact O-CB 3.3Å; L370-A374 WeakPolarHBondContact O-CB 3.39Å; L370-A374 PolarHBondContact O-N 3.34Å; L370-V381 HydrophobicContact CD2-CB 4.31Å; L370-V381 HydrophobicContact CD2-CG1 4.32Å; L370-Y411 HydrophobicContact CB-CD2 4.34Å; L370-Y411 HydrophobicContact CB-CE2 3.78Å; L370-Y411 HydrophobicContact CD1-CD1 4.49Å; L370-Y411 HydrophobicContact CD1-CD2 3.77Å; L370-Y411 HydrophobicContact CD1-CE2 4.02Å; L370-Y411 HydrophobicContact CD1-CG 4.03Å; L370-Y411 HydrophobicContact CG-CE2 4.45Å
371	G	98.4	Very high	98.4	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-64.2	-47.5	179.8	0	0	0	0	0	112.9	L367 D368 R375 Y437	L367-G371 PolarHBondContact O-N 3.48Å; D368-G371 PolarHBondContact O-N 3.37Å; G371-R375 WeakPolarHBondContact O-CB 3.44Å; G371-R375 PolarHBondContact O-N 2.03Å; G371-Y437 VanDerWaalsContact CA-CG 3.5Å; G371-Y437 VanDerWaalsContact O-CD1 3.32Å; G371-Y437 WeakPolarHBondContact O-CD1 3.22Å
372	L	97.9	Very high	98.5	Very high	1 Å²	1	9.9 Å²	9.9	1%	0.005	5%	0.046	C	C	.	.	H	α-helix	trans	-70.5	-42.1	-178.3	-165.2	61.3	0	0	0	111.6	L320 A321 D368 R375 L376 Y437	L320-L372 HydrophobicContact CB-CD2 4.17Å; L320-L372 HydrophobicContact CD2-CB 4.29Å; L320-L372 HydrophobicContact CD2-CD2 4.09Å; L320-L372 HydrophobicContact CG-CD2 4.24Å; A321-L372 HydrophobicContact CB-CD1 4.49Å; A321-L372 HydrophobicContact CB-CD2 3.93Å; A321-L372 HydrophobicContact CB-CG 4.43Å; D368-L372 WeakPolarHBondContact O-CB 3.42Å; D368-L372 PolarHBondContact O-N 2.92Å; L372-R375 PolarHBondContact O-N 3.13Å; L372-L376 HydrophobicContact CD1-CD1 4.21Å; L372-L376 HydrophobicContact CD1-CG 4.38Å; L372-L376 HydrophobicContact CG-CD1 3.85Å; L372-L376 HydrophobicContact CG-CG 4.39Å; L372-L376 WeakPolarHBondContact O-CB 3.16Å; L372-L376 VanDerWaalsContact O-CG 3.25Å; L372-L376 WeakPolarHBondContact O-CG 3.37Å; L372-L376 PolarHBondContact O-N 3.43Å; L372-Y437 HydrophobicContact CB-CE1 4.19Å; L372-Y437 HydrophobicContact CD1-CE1 4.33Å
373	G	98.4	Very high	98.5	Very high	0 Å²	0	9.9 Å²	9.9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-59.7	-46.5	175.9	0	0	0	0	0	112.2	K369 R375 L376 G377 L378	K369-G373 WeakPolarHBondContact O-CA 3.05Å; K369-G373 PolarHBondContact O-N 3.24Å; G373-R375 PolarHBondContact O-N 2.95Å; G373-L376 PolarHBondContact O-N 3.41Å; G373-G377 PolarHBondContact O-N 3.32Å; G373-L378 PolarHBondContact O-N 2.85Å
374	A	98.6	Very high	98.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-62	-43.7	176.6	0	0	0	0	0	111.6	R50 V52 F56 L370 V419	R50-A374 WeakPolarHBondContact CD-O 3.38Å; V52-A374 HydrophobicContact CG1-CB 3.93Å; F56-A374 HydrophobicContact CE1-CB 4.03Å; F56-A374 HydrophobicContact CE2-CB 4.16Å; F56-A374 HydrophobicContact CZ-CB 3.67Å; L370-A374 VanDerWaalsContact O-CB 3.3Å; L370-A374 WeakPolarHBondContact O-CB 3.39Å; L370-A374 PolarHBondContact O-N 3.34Å; A374-V419 HydrophobicContact CB-CG2 3.96Å
375	R	97.9	Very high	98.4	Very high	111 Å²	111	9.8 Å²	9.8	42%	0.419	5%	0.045	S	C	.	.	H	α-helix	trans	-67.3	-37.3	179.5	-171.7	179.8	71.1	172.7	2	113.5	L49 R50 G371 L372 G373	L49-R375 HydrophobicContact CD2-CG 4.25Å; R50-R375 VanDerWaalsContact CD-O 3.24Å; R50-R375 WeakPolarHBondContact CD-O 3.43Å; R50-R375 PolarHBondContact NE-O 3.05Å; G371-R375 WeakPolarHBondContact O-CB 3.44Å; G371-R375 PolarHBondContact O-N 2.03Å; L372-R375 PolarHBondContact O-N 3.13Å; G373-R375 PolarHBondContact O-N 2.95Å
376	L	97.7	Very high	98.3	Very high	32 Å²	32	9.8 Å²	9.8	17%	0.168	5%	0.045	C	C	.	.	H	α-helix	trans	-79	-26	-179.5	-68.5	175.1	0	0	0	112.5	R50 A321 T324 L328 L372 G373	R50-L376 PolarHBondContact NH2-O 2.9Å; A321-L376 HydrophobicContact CB-CD1 3.84Å; T324-L376 HydrophobicContact CG2-CB 3.88Å; T324-L376 HydrophobicContact CG2-CD1 3.88Å; L328-L376 HydrophobicContact CD1-CB 4.43Å; L328-L376 WeakPolarHBondContact CD1-O 3.49Å; L372-L376 HydrophobicContact CD1-CD1 4.21Å; L372-L376 HydrophobicContact CD1-CG 4.38Å; L372-L376 HydrophobicContact CG-CD1 3.85Å; L372-L376 HydrophobicContact CG-CG 4.39Å; L372-L376 WeakPolarHBondContact O-CB 3.16Å; L372-L376 VanDerWaalsContact O-CG 3.25Å; L372-L376 WeakPolarHBondContact O-CG 3.37Å; L372-L376 PolarHBondContact O-N 3.43Å; G373-L376 PolarHBondContact O-N 3.41Å
377	G	96.5	Very high	98.1	Very high	7 Å²	7	9.9 Å²	9.9	7%	0.072	5%	0.046	C	C	.	.	T	Hydrogen-bonded Turn	trans	112	30	172.3	0	0	0	0	0	116.4	G373	G373-G377 PolarHBondContact O-N 3.32Å
378	L	98.4	Very high	97.7	Very high	1 Å²	1	10 Å²	10	1%	0.005	5%	0.047	C	C	.	.			trans	-73.7	135.7	162.4	-60.3	176.4	0	0	0	109.1	F56 T324 V340 L342 G373	F56-L378 WeakPolarHBondContact CE2-O 3.31Å; T324-L378 HydrophobicContact CG2-CD1 4.17Å; T324-L378 HydrophobicContact CG2-CD2 3.99Å; T324-L378 HydrophobicContact CG2-CG 3.96Å; V340-L378 HydrophobicContact CB-CD2 4.25Å; V340-L378 HydrophobicContact CG1-CD2 3.8Å; V340-L378 WeakPolarHBondContact O-CA 3.41Å; L342-L378 HydrophobicContact CD1-CD1 3.57Å; L342-L378 HydrophobicContact CG-CD1 3.73Å; G373-L378 PolarHBondContact O-N 2.85Å
379	D	98.3	Very high	97.2	Very high	44 Å²	44	10.6 Å²	10.6	24%	0.235	5%	0.052	C	C	.	.	S	Bend	trans	-87.4	-27.8	-179.2	-61.4	-87	0	0	0	112.6	D53 F56 P339 V340	D53-D379 VanDerWaalsContact CB-O 3.3Å; D53-D379 WeakPolarHBondContact CB-O 3.42Å; D53-D379 PolarHBondContact N-O 3.08Å; F56-D379 WeakPolarHBondContact CD2-O 3.28Å; P339-D379 WeakPolarHBondContact CA-OD2 3.39Å; P339-D379 WeakPolarHBondContact CB-OD2 3.41Å; V340-D379 PolarHBondContact N-OD2 3.3Å; V340-D379 PolarHBondContact O-N 2.92Å
380	V	98.9	Very high	96.8	Very high	0 Å²	0	12 Å²	12	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	143.5	-178.9	-179.2	0	0	0	0	110.6	D53 F91 W341 L342 M382	D53-V380 HydrophobicContact CB-CG2 3.88Å; F91-V380 HydrophobicContact CD2-CG1 3.95Å; F91-V380 HydrophobicContact CD2-CG2 4.22Å; F91-V380 HydrophobicContact CE2-CG1 4.42Å; F91-V380 HydrophobicContact CE2-CG2 3.88Å; W341-V380 WeakPolarHBondContact CA-O 3.37Å; W341-V380 HydrophobicContact CB-CB 4.18Å; W341-V380 HydrophobicContact CD2-CB 3.72Å; W341-V380 HydrophobicContact CD2-CG1 4.47Å; W341-V380 HydrophobicContact CD2-CG2 3.77Å; W341-V380 VanDerWaalsContact CE2-CG2 3.49Å; W341-V380 HydrophobicContact CE3-CB 4.2Å; W341-V380 HydrophobicContact CE3-CG1 4.47Å; W341-V380 HydrophobicContact CE3-CG2 4.3Å; W341-V380 HydrophobicContact CG-CB 3.7Å; W341-V380 HydrophobicContact CG-CG2 4.12Å; W341-V380 HydrophobicContact CH2-CG2 4.3Å; W341-V380 HydrophobicContact CZ2-CG2 3.8Å; L342-V380 PolarHBondContact N-O 2.77Å; V380-M382 HydrophobicContact CG1-CE 3.81Å; V380-M382 HydrophobicContact CG1-CG 3.95Å
381	V	98.9	Very high	96.5	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	110.3	177.5	-177.4	0	0	0	0	109.3	F56 S58 L342 T345 W366 K369 L370	F56-V381 HydrophobicContact CD2-CG2 4.31Å; F56-V381 HydrophobicContact CE1-CG2 4.25Å; F56-V381 HydrophobicContact CE2-CG2 3.56Å; F56-V381 HydrophobicContact CZ-CB 4.45Å; F56-V381 HydrophobicContact CZ-CG2 3.51Å; F56-V381 PolarHBondContact O-N 2.93Å; S58-V381 PolarHBondContact N-O 2.92Å; L342-V381 HydrophobicContact CB-CG1 4.31Å; L342-V381 HydrophobicContact CD1-CG1 4.2Å; L342-V381 HydrophobicContact CD1-CG2 4.38Å; T345-V381 HydrophobicContact CG2-CG1 3.61Å; W366-V381 HydrophobicContact CH2-CG1 3.85Å; W366-V381 HydrophobicContact CZ3-CG1 3.75Å; K369-V381 HydrophobicContact CD-CG1 4.36Å; K369-V381 HydrophobicContact CG-CG1 4.3Å; L370-V381 HydrophobicContact CD2-CB 4.31Å; L370-V381 HydrophobicContact CD2-CG1 4.32Å
382	M	98.9	Very high	96.3	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	109.3	-176.8	-58.5	-175.9	-170.5	0	0	111.6	S58 T60 F91 R93 I185 W341 L342 G343 T345 V380 Q384	S58-M382 WeakPolarHBondContact O-CA 3.41Å; T60-M382 HydrophobicContact CG2-CB 3.97Å; F91-M382 HydrophobicContact CB-CE 4.12Å; F91-M382 HydrophobicContact CD2-CE 4.3Å; F91-M382 HydrophobicContact CG-CE 4.29Å; R93-M382 HydrophobicContact CB-SD 3.65Å; R93-M382 HydrophobicContact CG-SD 4.15Å; I185-M382 HydrophobicContact CD1-CE 3.41Å; I185-M382 VanDerWaalsContact CD1-CE 3.41Å; I185-M382 HydrophobicContact CD1-SD 4.26Å; W341-M382 HydrophobicContact CE3-CE 3.55Å; W341-M382 HydrophobicContact CZ3-CE 3.77Å; L342-M382 WeakPolarHBondContact O-CB 3.48Å; L342-M382 PolarHBondContact O-N 3.28Å; G343-M382 WeakPolarHBondContact O-CB 3.44Å; T345-M382 PolarHBondContact N-O 2.9Å; V380-M382 HydrophobicContact CG1-CE 3.81Å; V380-M382 HydrophobicContact CG1-CG 3.95Å; M382-Q384 PolarHBondContact O-N 2.9Å
383	R	98.8	Very high	96.3	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.008	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	117.7	-179.1	174.8	54.5	-177.3	-98.4	0.6	111.8	S58 V59 T60 W366 V385 Y392 M394 D404	S58-R383 PolarHBondContact O-N 2.97Å; V59-R383 HydrophobicContact CG1-CB 4.48Å; T60-R383 PolarHBondContact N-O 2.8Å; T60-R383 PolarHBondContact OG1-O 3.46Å; W366-R383 HydrophobicContact CH2-CB 3.69Å; W366-R383 HydrophobicContact CH2-CG 4.39Å; W366-R383 HydrophobicContact CZ2-CB 3.83Å; W366-R383 HydrophobicContact CZ2-CG 4.27Å; W366-R383 HydrophobicContact CZ3-CB 4.32Å; R383-V385 WeakPolarHBondContact O-CA 3.5Å; R383-Y392 PolarHBondContact NE-O 2.94Å; R383-Y392 PolarHBondContact NH2-O 3.42Å; R383-M394 HydrophobicContact CB-CE 4.48Å; R383-M394 HydrophobicContact CG-CE 4.07Å; R383-M394 HydrophobicContact CG-CG 4.09Å; R383-M394 HydrophobicContact CG-SD 3.84Å; R383-D404 IonicContact CZ-OD2 2.83Å; R383-D404 IonicContact NH1-OD2 2.6Å; R383-D404 PolarHBondContact NH1-OD2 2.6Å; R383-D404 IonicContact NH2-OD2 3.68Å; R383-D404 PolarHBondContact NH2-OD2 3.02Å
384	Q	97.9	Very high	96.3	Very high	1 Å²	1	13.6 Å²	13.6	1%	0.005	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	109	163	-178	73.1	1.5	0	0	109.2	T60 D62 Y299 E344 T345 S346 M382 Y392	T60-Q384 WeakPolarHBondContact OG1-CA 3.22Å; T60-Q384 PolarHBondContact OG1-OE1 3.27Å; D62-Q384 PolarHBondContact OD2-NE2 3Å; Y299-Q384 WeakPolarHBondContact OH-CG 3.37Å; E344-Q384 HydrophobicContact CG-CB 3.8Å; E344-Q384 HydrophobicContact CG-CG 4.11Å; T345-Q384 PolarHBondContact O-N 3.42Å; S346-Q384 VanDerWaalsContact CB-O 3.28Å; S346-Q384 WeakPolarHBondContact CB-O 3.48Å; S346-Q384 PolarHBondContact OG-O 3.15Å; M382-Q384 PolarHBondContact O-N 2.9Å; Q384-Y392 HydrophobicContact CG-CD2 4.2Å; Q384-Y392 HydrophobicContact CG-CE1 4.12Å; Q384-Y392 HydrophobicContact CG-CE2 3.62Å; Q384-Y392 PolarHBondContact NE2-OH 2.92Å; Q384-Y392 WeakPolarHBondContact O-CD2 3.29Å
385	V	97.3	Very high	96.2	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	cis	-138.8	156.9	-1	68.4	0	0	0	0	109.5	T60 D62 R383 V387 Y392 H393 M394	T60-V385 WeakPolarHBondContact O-CG2 3.36Å; T60-V385 WeakPolarHBondContact OG1-CG2 3.3Å; D62-V385 HydrophobicContact CB-CG2 4.19Å; R383-V385 WeakPolarHBondContact O-CA 3.5Å; V385-V387 WeakPolarHBondContact CG2-O 3.48Å; V385-Y392 HydrophobicContact CB-CD2 4.43Å; V385-Y392 HydrophobicContact CB-CE2 4.11Å; V385-Y392 HydrophobicContact CG1-CD2 3.93Å; V385-Y392 HydrophobicContact CG1-CE2 3.7Å; V385-H393 HydrophobicContact CG1-CB 3.85Å; V385-H393 CarbonylContact O-C 3.54Å; V385-H393 VanDerWaalsContact O-CA 3.31Å; V385-H393 WeakPolarHBondContact O-CA 3.44Å; V385-M394 PolarHBondContact O-N 3.49Å
386	L	97.9	Very high	96.1	Very high	0 Å²	0	9 Å²	9	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64	-57	170.6	-179.1	64	0	0	0	110.7	V59 T60 A84 L87 F176 M394 I395	V59-L386 HydrophobicContact CB-CB 4.13Å; V59-L386 HydrophobicContact CG2-CB 4.19Å; V59-L386 HydrophobicContact CG2-CD2 4.22Å; T60-L386 WeakPolarHBondContact O-CB 3.18Å; T60-L386 PolarHBondContact O-N 3.37Å; A84-L386 HydrophobicContact CB-CD2 3.97Å; L87-L386 HydrophobicContact CD1-CD1 3.95Å; F176-L386 HydrophobicContact CE1-CD2 4.39Å; F176-L386 HydrophobicContact CZ-CD2 4.14Å; L386-M394 HydrophobicContact CB-CE 4.43Å; L386-M394 HydrophobicContact CD1-CE 3.76Å; L386-M394 PolarHBondContact O-N 3.47Å; L386-I395 HydrophobicContact CD1-CD1 3.69Å; L386-I395 HydrophobicContact CD1-CG1 4.22Å; L386-I395 HydrophobicContact CG-CD1 4.06Å; L386-I395 WeakPolarHBondContact O-CB 3.27Å; L386-I395 PolarHBondContact O-N 2.7Å
387	V	94	Very high	95.9	Very high	7 Å²	7	9.9 Å²	9.9	4%	0.042	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.1	175.9	176	0	0	0	0	107.4	I80 V385 I395	I80-V387 HydrophobicContact CD1-CG2 4.13Å; I80-V387 HydrophobicContact CG1-CG2 4.45Å; I80-V387 HydrophobicContact CG2-CG2 4.02Å; V385-V387 WeakPolarHBondContact CG2-O 3.48Å; V387-I395 HydrophobicContact CG2-CB 3.87Å; V387-I395 HydrophobicContact CG2-CD1 4.01Å; V387-I395 HydrophobicContact CG2-CG1 4.45Å; V387-I395 HydrophobicContact CG2-CG2 4.15Å
388	G	90.1	Very high	95.8	Very high	2 Å²	2	14.5 Å²	14.5	2%	0.021	9%	0.087	C	C	.	.	S	Bend	trans	164.5	-171.5	178.8	0	0	0	0	0	113.2
389	A	89.1	Confident	95.7	Very high	14 Å²	14	14.6 Å²	14.6	12%	0.116	9%	0.088	C	C	.	.	S	Bend	trans	-75.2	153.8	179	0	0	0	0	0	111.4	W144 Q148 L151 Y392	W144-A389 HydrophobicContact CZ2-CB 4.16Å; Q148-A389 HydrophobicContact CG-CB 4.07Å; L151-A389 HydrophobicContact CD1-CB 3.87Å; A389-Y392 WeakPolarHBondContact O-CE2 3.37Å
390	G	89.9	Confident	95.6	Very high	30 Å²	30	15.6 Å²	15.6	31%	0.309	9%	0.093	S	C	.	.	S	Bend	trans	102.1	-167.7	-179.4	0	0	0	0	0	112.9	G351 H393	G351-G390 CarbonylContact O-C 3.54Å; G351-G390 WeakPolarHBondContact O-CA 3.35Å; G390-H393 PolarHBondContact O-CE1 2.88Å; G390-H393 PolarHBondContact O-ND1 3.23Å
391	S	92.8	Very high	95.6	Very high	15 Å²	15	16.3 Å²	16.3	11%	0.105	10%	0.097	C	C	.	.	S	Bend	trans	-118.9	3.8	-174.2	56.9	0	0	0	0	112.8	G351 G352 A353 S357 D358	G351-S391 PolarHBondContact O-N 3.35Å; G351-S391 PolarHBondContact O-OG 2.98Å; G351-S391 VanDerWaalsContact O-OG 3.09Å; G352-S391 WeakPolarHBondContact CA-OG 3.49Å; G352-S391 PolarHBondContact O-OG 2.9Å; A353-S391 PolarHBondContact N-OG 3.25Å; S357-S391 CarbonylContact C-O 3.52Å; S357-S391 VanDerWaalsContact CB-O 3.3Å; S357-S391 WeakPolarHBondContact CB-O 3.09Å; D358-S391 WeakPolarHBondContact CA-O 3.24Å; D358-S391 VanDerWaalsContact CB-O 3.29Å; D358-S391 WeakPolarHBondContact CB-O 3.36Å; D358-S391 PolarHBondContact N-O 2.86Å
392	Y	94.6	Very high	95.6	Very high	13 Å²	13	16.5 Å²	16.5	5%	0.051	10%	0.098	C	C	.	.			trans	-97.5	5.6	176.3	52.7	-137.3	0	0	0	113.7	S346 G351 G352 R383 Q384 V385 A389	S346-Y392 VanDerWaalsContact OG-CB 3.28Å; S346-Y392 WeakPolarHBondContact OG-CB 3.49Å; G351-Y392 VanDerWaalsContact C-CD1 3.49Å; G351-Y392 VanDerWaalsContact C-CE1 3.41Å; G351-Y392 VanDerWaalsContact CA-CE1 3.43Å; G352-Y392 VanDerWaalsContact N-CD1 3.28Å; R383-Y392 PolarHBondContact NE-O 2.94Å; R383-Y392 PolarHBondContact NH2-O 3.42Å; Q384-Y392 HydrophobicContact CG-CD2 4.2Å; Q384-Y392 HydrophobicContact CG-CE1 4.12Å; Q384-Y392 HydrophobicContact CG-CE2 3.62Å; Q384-Y392 PolarHBondContact NE2-OH 2.92Å; Q384-Y392 WeakPolarHBondContact O-CD2 3.29Å; V385-Y392 HydrophobicContact CB-CD2 4.43Å; V385-Y392 HydrophobicContact CB-CE2 4.11Å; V385-Y392 HydrophobicContact CG1-CD2 3.93Å; V385-Y392 HydrophobicContact CG1-CE2 3.7Å; A389-Y392 WeakPolarHBondContact O-CE2 3.37Å
393	H	96.7	Very high	95.6	Very high	7 Å²	7	16.7 Å²	16.7	3%	0.032	10%	0.1	C	C	.	.			trans	-63.9	148.8	-177.4	51.4	-109.1	0	0	0	110.2	V385 G390 I395 D396 L402	V385-H393 HydrophobicContact CG1-CB 3.85Å; V385-H393 CarbonylContact O-C 3.54Å; V385-H393 VanDerWaalsContact O-CA 3.31Å; V385-H393 WeakPolarHBondContact O-CA 3.44Å; G390-H393 PolarHBondContact O-CE1 2.88Å; G390-H393 PolarHBondContact O-ND1 3.23Å; H393-I395 WeakPolarHBondContact CB-O 3.4Å; H393-I395 PolarHBondContact CD2-O 3.15Å; H393-D396 WeakPolarHBondContact CD2-CA 3.3Å; H393-D396 WeakPolarHBondContact NE2-CA 3.4Å; H393-D396 WeakPolarHBondContact NE2-CB 3.1Å; H393-L402 VanDerWaalsContact CD2-CD1 3.41Å; H393-L402 WeakPolarHBondContact CD2-CD1 3.46Å; H393-L402 WeakPolarHBondContact O-CD1 3.23Å
394	M	98.3	Very high	95.6	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	-85	-24.4	175.2	-70.6	-162.7	-63.3	0	0	112.3	V59 L87 R383 V385 L386 L402 D404 Y405	V59-M394 HydrophobicContact CB-CE 4.23Å; V59-M394 HydrophobicContact CG1-CE 3.34Å; L87-M394 HydrophobicContact CD1-CE 3.97Å; R383-M394 HydrophobicContact CB-CE 4.48Å; R383-M394 HydrophobicContact CG-CE 4.07Å; R383-M394 HydrophobicContact CG-CG 4.09Å; R383-M394 HydrophobicContact CG-SD 3.84Å; V385-M394 PolarHBondContact O-N 3.49Å; L386-M394 HydrophobicContact CB-CE 4.43Å; L386-M394 HydrophobicContact CD1-CE 3.76Å; L386-M394 PolarHBondContact O-N 3.47Å; M394-L402 PolarHBondContact O-N 3.17Å; M394-D404 HydrophobicContact CG-CB 4.45Å; M394-Y405 WeakPolarHBondContact O-CB 2.93Å
395	I	97.9	Very high	95.6	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.01	10%	0.1	C	C	.	.	B	Isolated β-bridge	trans	-122.3	124.6	176.7	-58.9	174.1	0	0	0	106.9	I80 L83 L386 V387 H393 L399 D400 Y405	I80-I395 HydrophobicContact CG2-CD1 4.42Å; L83-I395 HydrophobicContact CB-CD1 3.73Å; L83-I395 HydrophobicContact CD1-CD1 3.6Å; L83-I395 HydrophobicContact CD1-CG1 3.93Å; L83-I395 HydrophobicContact CD1-CG2 4.26Å; L83-I395 HydrophobicContact CG-CD1 4.29Å; L386-I395 HydrophobicContact CD1-CD1 3.69Å; L386-I395 HydrophobicContact CD1-CG1 4.22Å; L386-I395 HydrophobicContact CG-CD1 4.06Å; L386-I395 WeakPolarHBondContact O-CB 3.27Å; L386-I395 PolarHBondContact O-N 2.7Å; V387-I395 HydrophobicContact CG2-CB 3.87Å; V387-I395 HydrophobicContact CG2-CD1 4.01Å; V387-I395 HydrophobicContact CG2-CG1 4.45Å; V387-I395 HydrophobicContact CG2-CG2 4.15Å; H393-I395 WeakPolarHBondContact CB-O 3.4Å; H393-I395 PolarHBondContact CD2-O 3.15Å; I395-L399 HydrophobicContact CG2-CB 4.22Å; I395-L399 HydrophobicContact CG2-CD2 4.33Å; I395-D400 WeakPolarHBondContact CA-O 3.42Å; I395-Y405 HydrophobicContact CG1-CD2 4.47Å
396	D	95.7	Very high	95.7	Very high	12 Å²	12	16.9 Å²	16.9	6%	0.064	10%	0.101	C	C	.	.			trans	-81.3	-177.9	-175.5	71.3	18.1	0	0	0	114.3	H393 D398 L399 D400 L402 R498	H393-D396 WeakPolarHBondContact CD2-CA 3.3Å; H393-D396 WeakPolarHBondContact NE2-CA 3.4Å; H393-D396 WeakPolarHBondContact NE2-CB 3.1Å; D396-D398 PolarHBondContact O-N 3.38Å; D396-D398 WeakPolarHBondContact OD1-CA 3.49Å; D396-D398 PolarHBondContact OD1-N 3.32Å; D396-L399 VanDerWaalsContact O-CA 3.3Å; D396-L399 WeakPolarHBondContact O-CA 3.37Å; D396-L399 PolarHBondContact O-N 2.69Å; D396-L399 PolarHBondContact OD1-N 2.77Å; D396-L399 VanDerWaalsContact OD1-N 3.15Å; D396-D400 PolarHBondContact N-O 3.03Å; D396-D400 WeakPolarHBondContact OD1-CB 2.93Å; D396-D400 PolarHBondContact OD1-N 3.45Å; D396-L402 HydrophobicContact CB-CD1 4.2Å; D396-L402 HydrophobicContact CB-CD2 4.37Å; D396-L402 HydrophobicContact CB-CG 4.26Å; D396-R498 IonicContact OD2-CZ 3.25Å; D396-R498 IonicContact OD2-NH2 3.39Å; D396-R498 PolarHBondContact OD2-NH2 3.39Å
397	D	93.2	Very high	95.7	Very high	51 Å²	51	17 Å²	17	27%	0.273	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-22.4	-176.4	-55.6	-44.1	0	0	0	112.7	K141 W144 Q148	K141-D397 WeakPolarHBondContact CD-O 3.34Å; K141-D397 WeakPolarHBondContact CG-O 3.39Å; W144-D397 PolarHBondContact NE1-OD1 2.85Å; Q148-D397 PolarHBondContact NE2-OD1 3.32Å; Q148-D397 PolarHBondContact OE1-OD1 3.02Å; Q148-D397 PolarHBondContact OE1-OD2 2.97Å
398	D	94.1	Very high	95.9	Very high	103 Å²	103	16.7 Å²	16.7	55%	0.551	10%	0.099	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-1.2	171.6	-72.2	-47.5	0	0	0	112.5	K141 D396 D400	K141-D398 PolarHBondContact NZ-O 3.13Å; D396-D398 PolarHBondContact O-N 3.38Å; D396-D398 WeakPolarHBondContact OD1-CA 3.49Å; D396-D398 PolarHBondContact OD1-N 3.32Å; D398-D400 VanDerWaalsContact C-N 3.29Å
399	L	95.6	Very high	96.3	Very high	4 Å²	4	16.6 Å²	16.6	2%	0.021	10%	0.099	C	C	.	.	S	Bend	trans	68.9	24.7	-174.7	-49	179.8	0	0	0	113.4	S77 R79 I80 E137 K141 I395 D396	S77-L399 WeakPolarHBondContact OG-CD1 3.49Å; R79-L399 WeakPolarHBondContact CD-O 3.37Å; R79-L399 PolarHBondContact NE-O 3.39Å; I80-L399 HydrophobicContact CD1-CD1 4.04Å; I80-L399 HydrophobicContact CD1-CD2 3.56Å; I80-L399 HydrophobicContact CD1-CG 4.38Å; I80-L399 HydrophobicContact CG1-CB 4.5Å; I80-L399 HydrophobicContact CG1-CD1 4.01Å; I80-L399 HydrophobicContact CG1-CD2 3.87Å; I80-L399 HydrophobicContact CG1-CG 4.34Å; E137-L399 HydrophobicContact CG-CD1 4.2Å; K141-L399 HydrophobicContact CD-CG 4.34Å; K141-L399 VanDerWaalsContact CE-CG 3.46Å; I395-L399 HydrophobicContact CG2-CB 4.22Å; I395-L399 HydrophobicContact CG2-CD2 4.33Å; D396-L399 VanDerWaalsContact O-CA 3.3Å; D396-L399 WeakPolarHBondContact O-CA 3.37Å; D396-L399 PolarHBondContact O-N 2.69Å; D396-L399 PolarHBondContact OD1-N 2.77Å; D396-L399 VanDerWaalsContact OD1-N 3.15Å
400	D	97.1	Very high	96.8	Very high	65 Å²	65	16 Å²	16	35%	0.348	9%	0.093	S	C	.	.	P	Polyproline II helix	trans	-88.2	136.5	175.3	-73.2	-31.8	0	0	0	111.2	R79 I395 D396 D398	R79-D400 IonicContact CZ-OD1 3.92Å; R79-D400 VanDerWaalsContact CZ-OD1 3.25Å; R79-D400 IonicContact NE-OD1 2.68Å; R79-D400 PolarHBondContact NE-OD1 3.02Å; R79-D400 IonicContact NH2-OD1 3.66Å; R79-D400 PolarHBondContact NH2-OD1 3.34Å; I395-D400 WeakPolarHBondContact CA-O 3.42Å; D396-D400 PolarHBondContact N-O 3.03Å; D396-D400 WeakPolarHBondContact OD1-CB 2.93Å; D396-D400 PolarHBondContact OD1-N 3.45Å; D398-D400 VanDerWaalsContact C-N 3.29Å
401	P	98.3	Very high	97.2	Very high	14 Å²	14	15 Å²	15	9%	0.091	8%	0.08	C	C	.	.	B	Isolated β-bridge	trans	-71.4	130.9	175.7	27.9	-33.5	0	0	0	111.7	L83 Y405 W406 M509	L83-P401 HydrophobicContact CD2-CB 3.94Å; L83-P401 HydrophobicContact CD2-CG 4Å; P401-Y405 HydrophobicContact CB-CD1 3.28Å; P401-Y405 HydrophobicContact CB-CD2 4.49Å; P401-Y405 HydrophobicContact CB-CE1 3.98Å; P401-Y405 HydrophobicContact CB-CG 3.61Å; P401-Y405 HydrophobicContact CG-CD1 4.3Å; P401-W406 HydrophobicContact CB-CZ2 4.07Å; P401-W406 HydrophobicContact CG-CH2 4.17Å; P401-W406 HydrophobicContact CG-CZ2 3.32Å; P401-W406 PolarHBondContact O-NE1 3.24Å; P401-M509 HydrophobicContact CG-CG 4.01Å
402	L	98.6	Very high	97.4	Very high	4 Å²	4	15.2 Å²	15.2	2%	0.021	8%	0.079	C	C	.	.	P	Polyproline II helix	trans	-89.1	170.6	176.8	-67.2	-179.2	0	0	0	112.3	D358 H393 M394 D396 D404 Y405 W406 R498	D358-L402 HydrophobicContact CB-CD1 3.67Å; H393-L402 VanDerWaalsContact CD2-CD1 3.41Å; H393-L402 WeakPolarHBondContact CD2-CD1 3.46Å; H393-L402 WeakPolarHBondContact O-CD1 3.23Å; M394-L402 PolarHBondContact O-N 3.17Å; D396-L402 HydrophobicContact CB-CD1 4.2Å; D396-L402 HydrophobicContact CB-CD2 4.37Å; D396-L402 HydrophobicContact CB-CG 4.26Å; L402-D404 PolarHBondContact O-N 3.39Å; L402-D404 VanDerWaalsContact O-N 3.13Å; L402-Y405 VanDerWaalsContact O-CB 3.29Å; L402-Y405 WeakPolarHBondContact O-CB 3.38Å; L402-Y405 PolarHBondContact O-N 3.37Å; L402-W406 PolarHBondContact O-N 3Å; L402-R498 HydrophobicContact CD2-CB 4.1Å; L402-R498 HydrophobicContact CD2-CG 4.42Å
403	P	98.7	Very high	97.4	Very high	4 Å²	4	17.2 Å²	17.2	3%	0.026	9%	0.087	C	C	.	.	H	α-helix	trans	-52	-39.8	-175.4	-32.2	40	0	0	0	114.5	F360 Y405 W406 L407 R498 V500	F360-P403 HydrophobicContact CB-CB 4.47Å; F360-P403 HydrophobicContact CB-CG 4.48Å; F360-P403 HydrophobicContact CD2-CB 4.48Å; P403-Y405 VanDerWaalsContact C-N 3.29Å; P403-Y405 PolarHBondContact O-N 2.75Å; P403-W406 PolarHBondContact O-N 2.96Å; P403-L407 WeakPolarHBondContact O-CB 3.19Å; P403-L407 PolarHBondContact O-N 2.9Å; P403-R498 WeakPolarHBondContact CD-O 3.27Å; P403-V500 HydrophobicContact CB-CB 4.1Å; P403-V500 HydrophobicContact CB-CG1 4.31Å; P403-V500 HydrophobicContact CG-CB 4.33Å
404	D	98.8	Very high	97.4	Very high	4 Å²	4	17 Å²	17	2%	0.021	9%	0.086	C	C	.	.	H	α-helix	trans	-66.5	-27	178.2	-81.7	-2.5	0	0	0	113.6	S362 G363 R383 M394 L402 S408	S362-D404 WeakPolarHBondContact CB-OD2 3.23Å; S362-D404 PolarHBondContact OG-OD2 2.87Å; G363-D404 WeakPolarHBondContact CA-OD1 3.43Å; G363-D404 PolarHBondContact N-OD1 2.84Å; G363-D404 VanDerWaalsContact N-OD1 3.14Å; R383-D404 IonicContact CZ-OD2 2.83Å; R383-D404 IonicContact NH1-OD2 2.6Å; R383-D404 PolarHBondContact NH1-OD2 2.6Å; R383-D404 IonicContact NH2-OD2 3.68Å; R383-D404 PolarHBondContact NH2-OD2 3.02Å; M394-D404 HydrophobicContact CG-CB 4.45Å; L402-D404 PolarHBondContact O-N 3.39Å; L402-D404 VanDerWaalsContact O-N 3.13Å; D404-S408 VanDerWaalsContact O-CB 3.31Å; D404-S408 WeakPolarHBondContact O-CB 3.27Å; D404-S408 PolarHBondContact O-N 3.24Å; D404-S408 PolarHBondContact O-OG 3.05Å
405	Y	98.9	Very high	97.4	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-65.4	-49.8	171.7	173.6	-90.1	0	0	0	110.6	L83 L87 M394 I395 P401 L402 P403 L407 S408 L409 L515	L83-Y405 WeakPolarHBondContact CA-OH 3.25Å; L83-Y405 HydrophobicContact CB-CE2 3.7Å; L83-Y405 HydrophobicContact CD2-CD1 4.1Å; L83-Y405 HydrophobicContact CD2-CD2 4.45Å; L83-Y405 HydrophobicContact CD2-CE1 3.39Å; L83-Y405 HydrophobicContact CD2-CE2 3.8Å; L83-Y405 WeakPolarHBondContact CD2-OH 2.96Å; L83-Y405 HydrophobicContact CG-CE2 4.34Å; L83-Y405 PolarHBondContact O-OH 2.64Å; L87-Y405 HydrophobicContact CD1-CD2 4.32Å; L87-Y405 HydrophobicContact CD1-CE2 4.04Å; L87-Y405 HydrophobicContact CD2-CE2 4.23Å; L87-Y405 HydrophobicContact CG-CE2 4.1Å; M394-Y405 WeakPolarHBondContact O-CB 2.93Å; I395-Y405 HydrophobicContact CG1-CD2 4.47Å; P401-Y405 HydrophobicContact CB-CD1 3.28Å; P401-Y405 HydrophobicContact CB-CD2 4.49Å; P401-Y405 HydrophobicContact CB-CE1 3.98Å; P401-Y405 HydrophobicContact CB-CG 3.61Å; P401-Y405 HydrophobicContact CG-CD1 4.3Å; L402-Y405 VanDerWaalsContact O-CB 3.29Å; L402-Y405 WeakPolarHBondContact O-CB 3.38Å; L402-Y405 PolarHBondContact O-N 3.37Å; P403-Y405 VanDerWaalsContact C-N 3.29Å; P403-Y405 PolarHBondContact O-N 2.75Å; Y405-L407 VanDerWaalsContact C-N 3.33Å; Y405-L407 PolarHBondContact O-N 3.17Å; Y405-S408 WeakPolarHBondContact O-CB 3.42Å; Y405-S408 PolarHBondContact O-N 3.32Å; Y405-S408 VanDerWaalsContact O-N 3.13Å; Y405-L409 HydrophobicContact CE1-CB 4.39Å; Y405-L409 HydrophobicContact CE1-CD2 4Å; Y405-L409 WeakPolarHBondContact O-CB 3.46Å; Y405-L409 PolarHBondContact O-N 2.6Å; Y405-L515 HydrophobicContact CE1-CD2 4.4Å
406	W	98.8	Very high	97.3	Very high	4 Å²	4	17.5 Å²	17.5	2%	0.015	9%	0.089	C	C	.	.	H	α-helix	trans	-64	-40.7	-178.6	-66.5	114.1	0	0	0	112.1	P401 L402 P403 L409 L410 V500 L507 M509 L515 P516 L518	P401-W406 HydrophobicContact CB-CZ2 4.07Å; P401-W406 HydrophobicContact CG-CH2 4.17Å; P401-W406 HydrophobicContact CG-CZ2 3.32Å; P401-W406 PolarHBondContact O-NE1 3.24Å; L402-W406 PolarHBondContact O-N 3Å; P403-W406 PolarHBondContact O-N 2.96Å; W406-L409 HydrophobicContact CE3-CD2 4.03Å; W406-L409 HydrophobicContact CZ3-CD2 3.95Å; W406-L409 PolarHBondContact O-N 2.95Å; W406-L410 PolarHBondContact O-N 3.18Å; W406-V500 HydrophobicContact CB-CG1 3.89Å; W406-V500 VanDerWaalsContact CD1-CG1 3.47Å; W406-V500 HydrophobicContact CG-CG1 3.89Å; W406-L507 HydrophobicContact CB-CD1 3.66Å; W406-L507 HydrophobicContact CD2-CB 3.79Å; W406-L507 HydrophobicContact CD2-CD1 3.91Å; W406-L507 HydrophobicContact CD2-CG 4.46Å; W406-L507 HydrophobicContact CE3-CB 4.28Å; W406-L507 HydrophobicContact CE3-CD1 4.07Å; W406-L507 HydrophobicContact CG-CB 3.99Å; W406-L507 HydrophobicContact CG-CD1 3.75Å; W406-L507 HydrophobicContact CZ2-CB 4.36Å; W406-M509 HydrophobicContact CH2-CG 4.3Å; W406-M509 HydrophobicContact CZ2-CG 4.45Å; W406-L515 HydrophobicContact CH2-CD2 4.1Å; W406-L515 HydrophobicContact CZ3-CD2 4.12Å; W406-P516 HydrophobicContact CH2-CG 3.65Å; W406-P516 HydrophobicContact CZ3-CG 3.66Å; W406-L518 HydrophobicContact CE3-CD2 4.49Å
407	L	98.9	Very high	97.4	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	10%	0.097	C	C	.	.	H	α-helix	trans	-57.3	-47.3	170.8	172.5	57.3	0	0	0	111.7	G363 W366 L367 P403 Y405 L409 L410 Y411 L485 L536 F538	G363-L407 WeakPolarHBondContact O-CD2 3.45Å; W366-L407 HydrophobicContact CB-CD2 4.34Å; W366-L407 HydrophobicContact CG-CD2 4.43Å; L367-L407 HydrophobicContact CB-CD1 4.3Å; L367-L407 HydrophobicContact CB-CD2 4.03Å; L367-L407 HydrophobicContact CD1-CD1 4Å; L367-L407 HydrophobicContact CD2-CD1 4.07Å; L367-L407 HydrophobicContact CG-CD1 4.35Å; P403-L407 WeakPolarHBondContact O-CB 3.19Å; P403-L407 PolarHBondContact O-N 2.9Å; Y405-L407 VanDerWaalsContact C-N 3.33Å; Y405-L407 PolarHBondContact O-N 3.17Å; L407-L409 VanDerWaalsContact C-N 3.34Å; L407-L409 PolarHBondContact O-N 2.94Å; L407-L410 PolarHBondContact O-N 2.71Å; L407-Y411 PolarHBondContact O-N 3.01Å; L407-L485 HydrophobicContact CB-CD1 4.13Å; L407-L485 HydrophobicContact CD1-CD1 3.94Å; L407-L536 HydrophobicContact CD1-CD1 3.68Å; L407-L536 HydrophobicContact CD2-CD1 4.34Å; L407-F538 HydrophobicContact CD1-CE2 4.09Å; L407-F538 HydrophobicContact CD1-CZ 3.97Å
408	S	98.9	Very high	97.6	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-64	-39.3	178.6	-59.5	0	0	0	0	112.5	W366 D404 Y405 Y411 K412	W366-S408 PolarHBondContact NE1-OG 2.79Å; D404-S408 VanDerWaalsContact O-CB 3.31Å; D404-S408 WeakPolarHBondContact O-CB 3.27Å; D404-S408 PolarHBondContact O-N 3.24Å; D404-S408 PolarHBondContact O-OG 3.05Å; Y405-S408 WeakPolarHBondContact O-CB 3.42Å; Y405-S408 PolarHBondContact O-N 3.32Å; Y405-S408 VanDerWaalsContact O-N 3.13Å; S408-Y411 PolarHBondContact O-N 3.31Å; S408-K412 WeakPolarHBondContact O-CG 3.44Å; S408-K412 PolarHBondContact O-N 3.1Å
409	L	98.4	Very high	97.8	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-64.7	-46.2	176.9	179.2	58	0	0	0	111	A86 L87 Y405 W406 L407 Y411 K412 R413 L515 L518	A86-L409 HydrophobicContact CB-CD1 3.74Å; A86-L409 VanDerWaalsContact O-CD1 3.31Å; A86-L409 WeakPolarHBondContact O-CD1 3.39Å; L87-L409 HydrophobicContact CD2-CB 4.4Å; Y405-L409 HydrophobicContact CE1-CB 4.39Å; Y405-L409 HydrophobicContact CE1-CD2 4Å; Y405-L409 WeakPolarHBondContact O-CB 3.46Å; Y405-L409 PolarHBondContact O-N 2.6Å; W406-L409 HydrophobicContact CE3-CD2 4.03Å; W406-L409 HydrophobicContact CZ3-CD2 3.95Å; W406-L409 PolarHBondContact O-N 2.95Å; L407-L409 VanDerWaalsContact C-N 3.34Å; L407-L409 PolarHBondContact O-N 2.94Å; L409-Y411 PolarHBondContact O-N 3.24Å; L409-K412 WeakPolarHBondContact O-CB 3.45Å; L409-K412 PolarHBondContact O-N 2.79Å; L409-R413 HydrophobicContact CD1-CG 4.34Å; L409-R413 VanDerWaalsContact O-CG 3.27Å; L409-R413 WeakPolarHBondContact O-CG 3.4Å; L409-R413 PolarHBondContact O-N 3.32Å; L409-L515 HydrophobicContact CD2-CD1 3.8Å; L409-L515 HydrophobicContact CD2-CD2 4.4Å; L409-L518 HydrophobicContact CD2-CD1 3.64Å; L409-L518 HydrophobicContact CG-CD1 3.69Å
410	L	98.1	Very high	97.9	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.066	C	C	.	.	H	α-helix	trans	-60.8	-44.4	174.2	-80.1	167	0	0	0	111.9	W406 L407 K412 R413 L414 F483 L485 L502 L518 F538	W406-L410 PolarHBondContact O-N 3.18Å; L407-L410 PolarHBondContact O-N 2.71Å; L410-K412 VanDerWaalsContact C-N 3.31Å; L410-K412 PolarHBondContact O-N 2.96Å; L410-R413 PolarHBondContact O-N 3.31Å; L410-R413 VanDerWaalsContact O-N 3.1Å; L410-L414 HydrophobicContact CB-CD1 4.46Å; L410-L414 HydrophobicContact CD2-CD1 4.12Å; L410-L414 WeakPolarHBondContact O-CB 3.34Å; L410-L414 VanDerWaalsContact O-CG 3.28Å; L410-L414 WeakPolarHBondContact O-CG 3.27Å; L410-L414 PolarHBondContact O-N 3.39Å; L410-F483 HydrophobicContact CD2-CD1 3.62Å; L410-F483 HydrophobicContact CD2-CE1 4.2Å; L410-F483 HydrophobicContact CD2-CG 4.35Å; L410-L485 HydrophobicContact CD1-CD1 3.88Å; L410-L485 HydrophobicContact CD1-CD2 3.65Å; L410-L485 HydrophobicContact CD1-CG 3.94Å; L410-L502 HydrophobicContact CD1-CD1 4.04Å; L410-L502 HydrophobicContact CD1-CD2 4.42Å; L410-L502 HydrophobicContact CD2-CD2 4.3Å; L410-L518 HydrophobicContact CD2-CB 4.13Å; L410-L518 HydrophobicContact CD2-CD1 4.15Å; L410-L518 HydrophobicContact CG-CD1 4.33Å; L410-F538 HydrophobicContact CB-CD2 4.22Å; L410-F538 HydrophobicContact CB-CE2 3.72Å; L410-F538 HydrophobicContact CB-CZ 4.42Å
411	Y	98.4	Very high	97.9	Very high	9 Å²	9	13.8 Å²	13.8	4%	0.035	7%	0.066	C	C	.	.	H	α-helix	trans	-54.7	-48.4	174.5	-173.2	-78.7	0	0	0	111	F56 L57 L367 L370 L407 S408 L409 R413 L414 V415 I458 F538	F56-Y411 HydrophobicContact CD1-CE1 4.13Å; F56-Y411 WeakPolarHBondContact CD1-OH 3.36Å; F56-Y411 WeakPolarHBondContact CE1-OH 3.43Å; L57-Y411 HydrophobicContact CB-CD1 4.17Å; L57-Y411 HydrophobicContact CB-CE1 4.28Å; L57-Y411 HydrophobicContact CD1-CD1 3.76Å; L57-Y411 HydrophobicContact CD1-CG 4.02Å; L367-Y411 HydrophobicContact CD1-CD2 4.11Å; L370-Y411 HydrophobicContact CB-CD2 4.34Å; L370-Y411 HydrophobicContact CB-CE2 3.78Å; L370-Y411 HydrophobicContact CD1-CD1 4.49Å; L370-Y411 HydrophobicContact CD1-CD2 3.77Å; L370-Y411 HydrophobicContact CD1-CE2 4.02Å; L370-Y411 HydrophobicContact CD1-CG 4.03Å; L370-Y411 HydrophobicContact CG-CE2 4.45Å; L407-Y411 PolarHBondContact O-N 3.01Å; S408-Y411 PolarHBondContact O-N 3.31Å; L409-Y411 PolarHBondContact O-N 3.24Å; Y411-R413 VanDerWaalsContact C-N 3.3Å; Y411-R413 PolarHBondContact O-N 2.71Å; Y411-L414 PolarHBondContact O-N 2.81Å; Y411-V415 HydrophobicContact CD1-CB 4.12Å; Y411-V415 HydrophobicContact CD1-CG2 4.43Å; Y411-V415 HydrophobicContact CD2-CB 4.21Å; Y411-V415 HydrophobicContact CD2-CG2 3.76Å; Y411-V415 HydrophobicContact CE1-CB 3.95Å; Y411-V415 HydrophobicContact CE1-CG1 4.04Å; Y411-V415 HydrophobicContact CE2-CB 4.06Å; Y411-V415 HydrophobicContact CE2-CG1 3.91Å; Y411-V415 HydrophobicContact CE2-CG2 3.91Å; Y411-V415 HydrophobicContact CG-CB 4.23Å; Y411-V415 HydrophobicContact CG-CG2 4.04Å; Y411-V415 WeakPolarHBondContact O-CB 3.41Å; Y411-V415 PolarHBondContact O-N 2.97Å; Y411-I458 HydrophobicContact CD2-CD1 4.31Å; Y411-I458 HydrophobicContact CE2-CD1 3.76Å; Y411-F538 HydrophobicContact CD2-CE1 4.14Å; Y411-F538 HydrophobicContact CD2-CZ 4.46Å
412	K	96.7	Very high	97.7	Very high	19 Å²	19	14.3 Å²	14.3	8%	0.083	7%	0.068	C	C	.	.	H	α-helix	trans	-60	-36.9	177.5	-80.3	-71.4	-177.8	-171.5	0	113.4	L57 L87 P89 S408 L409 L410 N442	L57-K412 WeakPolarHBondContact O-CE 3.17Å; L57-K412 PolarHBondContact O-NZ 3.06Å; L87-K412 HydrophobicContact CD2-CG 4.44Å; L87-K412 WeakPolarHBondContact O-CE 3.48Å; P89-K412 PolarHBondContact O-NZ 3.1Å; S408-K412 WeakPolarHBondContact O-CG 3.44Å; S408-K412 PolarHBondContact O-N 3.1Å; L409-K412 WeakPolarHBondContact O-CB 3.45Å; L409-K412 PolarHBondContact O-N 2.79Å; L410-K412 VanDerWaalsContact C-N 3.31Å; L410-K412 PolarHBondContact O-N 2.96Å; K412-N442 PolarHBondContact O-ND2 3.02Å
413	R	95.4	Very high	97.3	Very high	56 Å²	56	18.6 Å²	18.6	21%	0.211	9%	0.088	C	C	.	.	H	α-helix	trans	-77.2	-31.2	-179.5	-63.6	-64.2	172	-177.3	-2.5	113.1	L409 L410 Y411 S445	L409-R413 HydrophobicContact CD1-CG 4.34Å; L409-R413 VanDerWaalsContact O-CG 3.27Å; L409-R413 WeakPolarHBondContact O-CG 3.4Å; L409-R413 PolarHBondContact O-N 3.32Å; L410-R413 PolarHBondContact O-N 3.31Å; L410-R413 VanDerWaalsContact O-N 3.1Å; Y411-R413 VanDerWaalsContact C-N 3.3Å; Y411-R413 PolarHBondContact O-N 2.71Å; R413-S445 WeakPolarHBondContact O-CB 3.34Å; R413-S445 PolarHBondContact O-OG 2.98Å
414	L	97.2	Very high	96.7	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.005	10%	0.099	C	C	.	.	H	α-helix	trans	-107.5	-36.7	-167.4	-58	176.4	0	0	0	113.3	L410 Y411 A441 N442 Y450 V456 F483 F538 V540	L410-L414 HydrophobicContact CB-CD1 4.46Å; L410-L414 HydrophobicContact CD2-CD1 4.12Å; L410-L414 WeakPolarHBondContact O-CB 3.34Å; L410-L414 VanDerWaalsContact O-CG 3.28Å; L410-L414 WeakPolarHBondContact O-CG 3.27Å; L410-L414 PolarHBondContact O-N 3.39Å; Y411-L414 PolarHBondContact O-N 2.81Å; L414-A441 CarbonylContact O-C 3.44Å; L414-A441 WeakPolarHBondContact O-CA 3.45Å; L414-N442 PolarHBondContact O-N 3.38Å; L414-Y450 HydrophobicContact CD2-CE2 3.78Å; L414-V456 HydrophobicContact CB-CG1 4.45Å; L414-V456 WeakPolarHBondContact O-CG2 3.38Å; L414-F483 HydrophobicContact CD1-CB 4.17Å; L414-F483 HydrophobicContact CD1-CD1 4.03Å; L414-F483 HydrophobicContact CD1-CD2 3.62Å; L414-F483 HydrophobicContact CD1-CE1 4.32Å; L414-F483 HydrophobicContact CD1-CE2 3.97Å; L414-F483 HydrophobicContact CD1-CG 3.66Å; L414-F483 HydrophobicContact CD1-CZ 4.3Å; L414-F483 HydrophobicContact CD2-CD2 4.34Å; L414-F483 HydrophobicContact CD2-CE1 4.27Å; L414-F483 HydrophobicContact CD2-CE2 3.82Å; L414-F483 HydrophobicContact CD2-CZ 3.77Å; L414-F538 HydrophobicContact CD1-CB 3.71Å; L414-F538 HydrophobicContact CD1-CD1 4.45Å; L414-F538 HydrophobicContact CD1-CD2 3.89Å; L414-F538 HydrophobicContact CD1-CG 3.76Å; L414-V540 HydrophobicContact CD2-CG2 4.18Å
415	V	97.8	Very high	95.6	Very high	11 Å²	11	25.3 Å²	25.3	7%	0.067	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	120.9	-166.3	-175.5	0	0	0	0	111.5	Y411 H439 V456 I458 F538	Y411-V415 HydrophobicContact CD1-CB 4.12Å; Y411-V415 HydrophobicContact CD1-CG2 4.43Å; Y411-V415 HydrophobicContact CD2-CB 4.21Å; Y411-V415 HydrophobicContact CD2-CG2 3.76Å; Y411-V415 HydrophobicContact CE1-CB 3.95Å; Y411-V415 HydrophobicContact CE1-CG1 4.04Å; Y411-V415 HydrophobicContact CE2-CB 4.06Å; Y411-V415 HydrophobicContact CE2-CG1 3.91Å; Y411-V415 HydrophobicContact CE2-CG2 3.91Å; Y411-V415 HydrophobicContact CG-CB 4.23Å; Y411-V415 HydrophobicContact CG-CG2 4.04Å; Y411-V415 WeakPolarHBondContact O-CB 3.41Å; Y411-V415 PolarHBondContact O-N 2.97Å; V415-H439 HydrophobicContact CG1-CB 3.75Å; V415-H439 WeakPolarHBondContact CG1-ND1 3.36Å; V415-V456 HydrophobicContact CG2-CG1 4.33Å; V415-I458 HydrophobicContact CG1-CD1 4.17Å; V415-I458 HydrophobicContact CG2-CD1 3.92Å; V415-I458 HydrophobicContact CG2-CG1 4.17Å; V415-F538 HydrophobicContact CG2-CD1 4.03Å; V415-F538 HydrophobicContact CG2-CE1 3.82Å
416	G	96.3	Very high	93.8	Very high	2 Å²	2	28.4 Å²	28.4	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	165.4	175.8	0	0	0	0	0	113.7	E418 H439 C440	G416-E418 VanDerWaalsContact C-N 3.29Å; G416-E418 PolarHBondContact O-N 2.86Å; G416-H439 PolarHBondContact O-ND1 2.88Å; G416-C440 VanDerWaalsContact CA-O 3.28Å; G416-C440 WeakPolarHBondContact CA-O 3.49Å; G416-C440 PolarHBondContact N-O 3Å
417	P	96.6	Very high	91.8	Very high	34 Å²	34	33.1 Å²	33.1	22%	0.221	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	-17.9	-177.5	29.3	-34.8	0	0	0	114	R51 V52 V419	R51-P417 WeakPolarHBondContact CA-O 3.29Å; R51-P417 HydrophobicContact CG-CB 4.43Å; V52-P417 HydrophobicContact CG2-CB 4.14Å; V52-P417 WeakPolarHBondContact CG2-O 3.29Å; V52-P417 PolarHBondContact N-O 3.32Å; V52-P417 WeakPolarHBondContact O-CB 3.27Å; P417-V419 PolarHBondContact O-N 3.05Å
418	E	97.9	Very high	89.4	Confident	33 Å²	33	37.4 Å²	37.4	15%	0.154	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80	110.7	177.3	-61.7	81.4	-173.7	0	0	111	V48 R51 G416 H439 C440	V48-E418 HydrophobicContact CG1-CB 4Å; V48-E418 HydrophobicContact CG1-CG 4.28Å; V48-E418 HydrophobicContact CG2-CB 3.94Å; V48-E418 HydrophobicContact CG2-CG 3.96Å; R51-E418 IonicContact CZ-OE1 3.09Å; R51-E418 IonicContact NH1-OE1 2.64Å; R51-E418 PolarHBondContact NH1-OE1 3.04Å; R51-E418 IonicContact NH2-OE1 2.92Å; R51-E418 PolarHBondContact NH2-OE1 3.18Å; G416-E418 VanDerWaalsContact C-N 3.29Å; G416-E418 PolarHBondContact O-N 2.86Å; E418-H439 CarbonylContact O-C 3.5Å; E418-H439 VanDerWaalsContact O-CA 3.26Å; E418-H439 WeakPolarHBondContact O-CA 3.37Å; E418-C440 HydrophobicContact CB-CB 3.93Å; E418-C440 WeakPolarHBondContact CB-SG 3.37Å; E418-C440 PolarHBondContact O-N 3.35Å
419	V	98.5	Very high	87.2	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.018	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	130.7	175.6	-166.7	0	0	0	0	108.7	L49 R50 V52 A374 P417	L49-V419 WeakPolarHBondContact CB-O 3.25Å; L49-V419 PolarHBondContact N-O 3.04Å; R50-V419 HydrophobicContact CG-CB 3.93Å; R50-V419 HydrophobicContact CG-CG1 4.41Å; R50-V419 HydrophobicContact CG-CG2 4.08Å; R50-V419 WeakPolarHBondContact O-CB 3.48Å; R50-V419 WeakPolarHBondContact O-CG2 3.31Å; R50-V419 PolarHBondContact O-N 2.83Å; V52-V419 HydrophobicContact CG1-CG2 4.03Å; A374-V419 HydrophobicContact CB-CG2 3.96Å; P417-V419 PolarHBondContact O-N 3.05Å
420	L	98.4	Very high	85.1	Confident	4 Å²	4	47.6 Å²	47.6	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	161.1	176.3	-57.5	-177.5	0	0	0	110.5	L45 L438 V455 A548	L45-L420 HydrophobicContact CD2-CD1 4.12Å; L420-L438 HydrophobicContact CB-CB 4.17Å; L420-L438 HydrophobicContact CB-CD2 3.81Å; L420-L438 HydrophobicContact CB-CG 3.83Å; L420-L438 HydrophobicContact CD1-CD2 4.05Å; L420-L438 HydrophobicContact CD1-CG 4.03Å; L420-L438 HydrophobicContact CG-CG 4.45Å; L420-L438 PolarHBondContact N-O 3.04Å; L420-V455 HydrophobicContact CD1-CB 4.37Å; L420-V455 HydrophobicContact CD1-CG1 3.66Å; L420-A548 HydrophobicContact CD2-CB 3.82Å
421	K	96.6	Very high	83.6	Confident	84 Å²	84	47.8 Å²	47.8	37%	0.365	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	132.9	178.8	179.9	-174.4	176.1	-164.2	0	109.9	D44 L49	D44-K421 HydrophobicContact CB-CB 3.98Å; D44-K421 PolarHBondContact N-O 3.41Å; L49-K421 HydrophobicContact CD2-CB 4.41Å
422	L	94.3	Very high	83	Confident	25 Å²	25	51.9 Å²	51.9	13%	0.131	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136.1	175.1	180	149.2	0	0	0	109.3	L41 D42 M43 L436 L438 L457	L41-L422 HydrophobicContact CD1-CD1 4.46Å; D42-L422 CarbonylContact O-C 3.59Å; D42-L422 WeakPolarHBondContact O-CA 3.45Å; M43-L422 HydrophobicContact CG-CD1 4.34Å; L422-L436 HydrophobicContact CD1-CB 4.31Å; L422-L436 HydrophobicContact CD2-CB 3.8Å; L422-L436 HydrophobicContact CD2-CD1 4.42Å; L422-L438 HydrophobicContact CB-CB 4.01Å; L422-L438 HydrophobicContact CD1-CB 4.09Å; L422-L457 HydrophobicContact CD1-CD1 3.39Å
423	Q	90.4	Very high	82.8	Confident	94 Å²	94	55.3 Å²	55.3	44%	0.439	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	154.8	176.6	-61.1	-168.8	-14.9	0	0	110.8	D42	D42-Q423 HydrophobicContact CB-CB 4.37Å; D42-Q423 PolarHBondContact N-O 3.44Å; D42-Q423 PolarHBondContact O-N 3.02Å
424	L	85.4	Confident	82.7	Confident	49 Å²	49	53 Å²	53	26%	0.257	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	124.9	171	-68.6	172.6	0	0	0	108.3	L39 L41 D427 S431 L436	L39-L424 HydrophobicContact CB-CD2 4.04Å; L39-L424 HydrophobicContact CD1-CD2 4.49Å; L41-L424 HydrophobicContact CD2-CD2 3.51Å; L424-D427 HydrophobicContact CB-CB 4.48Å; L424-S431 VanDerWaalsContact CD1-OG 3.31Å; L424-S431 WeakPolarHBondContact CD1-OG 3.41Å; L424-L436 HydrophobicContact CD2-CD1 4.11Å
425	V	76.5	Confident	82.6	Confident	100 Å²	100	54 Å²	54	61%	0.606	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-31.3	-176.4	-177.1	0	0	0	0	111.6	D40 D42	D40-V425 HydrophobicContact CB-CB 4.03Å; D40-V425 HydrophobicContact CB-CG2 4.33Å; D40-V425 PolarHBondContact O-N 3.16Å; D42-V425 HydrophobicContact CB-CG2 3.88Å
426	S	61.1	Low	82.6	Confident	65 Å²	65	54.1 Å²	54.1	46%	0.455	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.9	55.5	-171.4	-58.2	0	0	0	0	112.2	D40 S428	D40-S426 PolarHBondContact OD2-OG 3.39Å; S426-S428 PolarHBondContact O-N 2.8Å; S426-S428 VanDerWaalsContact O-N 3.13Å
427	D	55.8	Low	82.7	Confident	103 Å²	103	54.5 Å²	54.5	55%	0.551	29%	0.288	S	S	*	.			trans	-84.6	85.7	-179.6	-165.7	10	0	0	0	112.3	L424 G429	L424-D427 HydrophobicContact CB-CB 4.48Å; D427-G429 PolarHBondContact O-N 2.94Å; D427-G429 PolarHBondContact OD1-N 2.78Å
428	S	48.8	Very low	82.8	Confident	92 Å²	92	53 Å²	53	64%	0.643	28%	0.278	S	S	*	.	S	Bend	trans	-80.5	19.8	170.4	51.9	0	0	0	0	113.3	S426 R430	S426-S428 PolarHBondContact O-N 2.8Å; S426-S428 VanDerWaalsContact O-N 3.13Å; S428-R430 PolarHBondContact O-N 2.66Å; S428-R430 WeakPolarHBondContact OG-CD 3.47Å
429	G	52	Low	82.8	Confident	52 Å²	52	51.5 Å²	51.5	54%	0.536	27%	0.271	S	S	.	.	S	Bend	trans	73.8	1.3	-174.5	0	0	0	0	0	114.1	D427 S431	D427-G429 PolarHBondContact O-N 2.94Å; D427-G429 PolarHBondContact OD1-N 2.78Å; G429-S431 VanDerWaalsContact C-N 3.29Å; G429-S431 PolarHBondContact O-N 3.15Å
430	R	54.6	Low	82.8	Confident	162 Å²	162	51.5 Å²	51.5	61%	0.611	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-9.5	178.4	-62.6	177.6	89.1	159.2	2.5	113	S428	S428-R430 PolarHBondContact O-N 2.66Å; S428-R430 WeakPolarHBondContact OG-CD 3.47Å
431	S	67.1	Low	82.7	Confident	6 Å²	6	51.5 Å²	51.5	4%	0.042	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	0.8	-163.5	-167.8	0	0	0	0	116.4	L39 L424 G429 R433 V434	L39-S431 WeakPolarHBondContact CD1-OG 3.42Å; L424-S431 VanDerWaalsContact CD1-OG 3.31Å; L424-S431 WeakPolarHBondContact CD1-OG 3.41Å; G429-S431 VanDerWaalsContact C-N 3.29Å; G429-S431 PolarHBondContact O-N 3.15Å; S431-R433 PolarHBondContact O-N 2.95Å; S431-V434 PolarHBondContact O-N 3.13Å
432	K	85.3	Confident	82.5	Confident	94 Å²	94	49 Å²	49	41%	0.409	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-24.4	-173.5	-66.1	-164	177.2	-163.6	0	114.9	P314 E315 D318 V434	P314-K432 HydrophobicContact CB-CB 3.79Å; P314-K432 WeakPolarHBondContact CB-O 3.44Å; P314-K432 HydrophobicContact CG-CB 4.11Å; E315-K432 IonicContact OE1-NZ 2.66Å; E315-K432 PolarHBondContact OE1-NZ 3.19Å; E315-K432 IonicContact OE2-NZ 3.6Å; D318-K432 IonicContact OD2-NZ 3.56Å; K432-V434 VanDerWaalsContact C-N 3.31Å
433	R	92.1	Very high	82	Confident	91 Å²	91	54.4 Å²	54.4	34%	0.343	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-3.4	177.7	-70	-171.7	168	-75.4	-10.2	114.2	L312 P314 S431 L462 S463	L312-R433 PolarHBondContact O-NH1 3.06Å; P314-R433 HydrophobicContact CG-CB 4.45Å; P314-R433 HydrophobicContact CG-CG 3.62Å; S431-R433 PolarHBondContact O-N 2.95Å; R433-L462 HydrophobicContact CB-CB 4.28Å; R433-L462 PolarHBondContact NH1-O 3.39Å; R433-L462 WeakPolarHBondContact O-CB 3.1Å; R433-L462 VanDerWaalsContact O-CD1 3.31Å; R433-L462 WeakPolarHBondContact O-CD1 3.31Å; R433-L462 PolarHBondContact O-N 2.73Å; R433-S463 VanDerWaalsContact CB-OG 3.32Å; R433-S463 WeakPolarHBondContact CB-OG 3.36Å
434	V	94.4	Very high	81.1	Confident	9 Å²	9	58 Å²	58	6%	0.055	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	123.5	171.3	179.5	0	0	0	0	108.2	L39 S431 K432 L436 M460 V467 L531	L39-V434 HydrophobicContact CD1-CB 3.8Å; L39-V434 HydrophobicContact CD1-CG1 3.68Å; L39-V434 HydrophobicContact CD1-CG2 4.2Å; S431-V434 PolarHBondContact O-N 3.13Å; K432-V434 VanDerWaalsContact C-N 3.31Å; V434-L436 HydrophobicContact CG1-CD2 4.17Å; V434-L436 HydrophobicContact CG1-CG 4.22Å; V434-M460 VanDerWaalsContact CA-O 3.31Å; V434-M460 WeakPolarHBondContact CA-O 3.44Å; V434-V467 HydrophobicContact CG2-CB 4.15Å; V434-V467 HydrophobicContact CG2-CG1 4.09Å; V434-V467 HydrophobicContact CG2-CG2 3.77Å; V434-L531 HydrophobicContact CG1-CD1 3.59Å
435	R	95.8	Very high	80.2	Confident	21 Å²	21	56 Å²	56	8%	0.079	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	128.6	-171.9	-55	-169.8	69	109	-25.2	109.1	D318 D368 Y437 W459 M460 L462	D318-R435 IonicContact OD1-CZ 2.69Å; D318-R435 IonicContact OD1-NH1 2.99Å; D318-R435 PolarHBondContact OD1-NH1 3.06Å; D318-R435 IonicContact OD1-NH2 2.93Å; D318-R435 PolarHBondContact OD1-NH2 3.17Å; D318-R435 VanDerWaalsContact OD1-NH2 3.1Å; D368-R435 VanDerWaalsContact CG-NE 3.27Å; D368-R435 WeakPolarHBondContact OD1-CD 3.48Å; D368-R435 IonicContact OD1-CZ 3.25Å; D368-R435 IonicContact OD1-NE 3.1Å; D368-R435 PolarHBondContact OD1-NE 3.26Å; D368-R435 IonicContact OD1-NH2 3.45Å; D368-R435 PolarHBondContact OD1-NH2 3.44Å; D368-R435 IonicContact OD2-CZ 3.6Å; D368-R435 IonicContact OD2-NE 3.47Å; D368-R435 PolarHBondContact OD2-NE 3.05Å; D368-R435 IonicContact OD2-NH2 2.67Å; D368-R435 PolarHBondContact OD2-NH2 2.54Å; R435-Y437 HydrophobicContact CB-CE2 4.23Å; R435-W459 CarbonylContact O-C 3.39Å; R435-W459 WeakPolarHBondContact O-CA 3.4Å; R435-M460 HydrophobicContact CB-CB 4.45Å; R435-M460 HydrophobicContact CB-CE 3.7Å; R435-M460 PolarHBondContact N-O 3.4Å; R435-M460 PolarHBondContact O-N 3.04Å; R435-L462 HydrophobicContact CG-CD1 4.39Å
436	L	97.3	Very high	79.3	Confident	13 Å²	13	61.1 Å²	61.1	7%	0.068	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	135.6	-168.1	-58.7	177	0	0	0	110	L41 L422 L424 V434 L457 I458 W459 I469 L531	L41-L436 HydrophobicContact CD1-CD1 4.28Å; L41-L436 HydrophobicContact CD2-CD1 3.36Å; L41-L436 HydrophobicContact CG-CD1 4.48Å; L422-L436 HydrophobicContact CD1-CB 4.31Å; L422-L436 HydrophobicContact CD2-CB 3.8Å; L422-L436 HydrophobicContact CD2-CD1 4.42Å; L424-L436 HydrophobicContact CD2-CD1 4.11Å; V434-L436 HydrophobicContact CG1-CD2 4.17Å; V434-L436 HydrophobicContact CG1-CG 4.22Å; L436-L457 HydrophobicContact CB-CD1 4.26Å; L436-L457 HydrophobicContact CD2-CD1 4.48Å; L436-I458 WeakPolarHBondContact CA-O 3.39Å; L436-W459 HydrophobicContact CD2-CB 3.46Å; L436-W459 VanDerWaalsContact CD2-CB 3.46Å; L436-I469 HydrophobicContact CD1-CG2 4.22Å; L436-L531 HydrophobicContact CD2-CD1 4.27Å
437	Y	98.4	Very high	79.1	Confident	11 Å²	11	62 Å²	62	4%	0.043	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	149.7	176.8	-53.3	-86.6	0	0	0	109.9	D368 G371 L372 R435 L457 I458 M460	D368-Y437 PolarHBondContact OD1-OH 2.99Å; G371-Y437 VanDerWaalsContact CA-CG 3.5Å; G371-Y437 VanDerWaalsContact O-CD1 3.32Å; G371-Y437 WeakPolarHBondContact O-CD1 3.22Å; L372-Y437 HydrophobicContact CB-CE1 4.19Å; L372-Y437 HydrophobicContact CD1-CE1 4.33Å; R435-Y437 HydrophobicContact CB-CE2 4.23Å; Y437-L457 WeakPolarHBondContact O-CA 3.49Å; Y437-I458 PolarHBondContact N-O 3.44Å; Y437-I458 PolarHBondContact O-N 2.69Å; Y437-M460 HydrophobicContact CD2-CE 4.19Å; Y437-M460 HydrophobicContact CE2-CE 3.6Å
438	L	98.6	Very high	79.4	Confident	3 Å²	3	58 Å²	58	2%	0.016	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	131.6	-173.2	-171.8	64.5	0	0	0	110.9	M43 L45 L420 L422 V455 L457 M541	M43-L438 HydrophobicContact CB-CD2 3.95Å; M43-L438 HydrophobicContact CE-CD1 3.31Å; M43-L438 HydrophobicContact CE-CD2 3.43Å; M43-L438 VanDerWaalsContact CE-CD2 3.43Å; M43-L438 HydrophobicContact CE-CG 3.99Å; M43-L438 HydrophobicContact CG-CD2 4.17Å; L45-L438 HydrophobicContact CD2-CD2 4.06Å; L420-L438 HydrophobicContact CB-CB 4.17Å; L420-L438 HydrophobicContact CB-CD2 3.81Å; L420-L438 HydrophobicContact CB-CG 3.83Å; L420-L438 HydrophobicContact CD1-CD2 4.05Å; L420-L438 HydrophobicContact CD1-CG 4.03Å; L420-L438 HydrophobicContact CG-CG 4.45Å; L420-L438 PolarHBondContact N-O 3.04Å; L422-L438 HydrophobicContact CB-CB 4.01Å; L422-L438 HydrophobicContact CD1-CB 4.09Å; L438-V455 HydrophobicContact CD1-CB 4.13Å; L438-V455 HydrophobicContact CD1-CG2 4.16Å; L438-L457 HydrophobicContact CD1-CB 4.39Å; L438-M541 HydrophobicContact CD1-CE 4.4Å
439	H	98.6	Very high	80.5	Confident	1 Å²	1	59 Å²	59	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	162.3	177.4	-75.1	-120.7	0	0	0	110.1	V415 G416 E418 V455 V456	V415-H439 HydrophobicContact CG1-CB 3.75Å; V415-H439 WeakPolarHBondContact CG1-ND1 3.36Å; G416-H439 PolarHBondContact O-ND1 2.88Å; E418-H439 CarbonylContact O-C 3.5Å; E418-H439 VanDerWaalsContact O-CA 3.26Å; E418-H439 WeakPolarHBondContact O-CA 3.37Å; H439-V455 CarbonylContact O-C 3.59Å; H439-V455 WeakPolarHBondContact O-CA 3.38Å; H439-V455 WeakPolarHBondContact O-CB 3.44Å; H439-V456 PolarHBondContact N-O 2.86Å; H439-V456 VanDerWaalsContact N-O 3.1Å; H439-V456 PolarHBondContact O-N 3.46Å
440	C	97.7	Very high	82.1	Confident	3 Å²	3	57.3 Å²	57.3	2%	0.02	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.3	150.1	159.2	-62.2	0	0	0	0	110.4	G416 E418 C549	G416-C440 VanDerWaalsContact CA-O 3.28Å; G416-C440 WeakPolarHBondContact CA-O 3.49Å; G416-C440 PolarHBondContact N-O 3Å; E418-C440 HydrophobicContact CB-CB 3.93Å; E418-C440 WeakPolarHBondContact CB-SG 3.37Å; E418-C440 PolarHBondContact O-N 3.35Å; C440-C549 WeakPolarHBondContact CA-SG 3.4Å; C440-C549 HydrophobicContact CB-CB 3.63Å; C440-C549 WeakPolarHBondContact CB-SG 3.34Å; C440-C549 WeakPolarHBondContact SG-CA 3.25Å; C440-C549 WeakPolarHBondContact SG-CB 3.44Å; C440-C549 CovalentContact SG-SG 2.02Å; C440-C549 PolarHBondContact SG-SG 2.87Å
441	A	95.9	Very high	83.7	Confident	4 Å²	4	52.8 Å²	52.8	3%	0.033	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	146	174.4	0	0	0	0	0	111.9	L414 R443 Y450 A454 V456 V540	L414-A441 CarbonylContact O-C 3.44Å; L414-A441 WeakPolarHBondContact O-CA 3.45Å; A441-R443 PolarHBondContact O-N 2.79Å; A441-Y450 HydrophobicContact CB-CD2 4.28Å; A441-A454 HydrophobicContact CB-CB 3.83Å; A441-A454 PolarHBondContact N-O 2.94Å; A441-V456 HydrophobicContact CB-CG2 3.69Å; A441-V540 HydrophobicContact CB-CG1 4.31Å
442	N	92.7	Very high	84.8	Confident	31 Å²	31	54.4 Å²	54.4	17%	0.166	28%	0.276	C	S	.	.			trans	-71.1	101.2	178	-175.3	1.6	0	0	0	111.2	K412 L414 K444 S445	K412-N442 PolarHBondContact O-ND2 3.02Å; L414-N442 PolarHBondContact O-N 3.38Å; N442-K444 PolarHBondContact O-N 3.36Å; N442-K444 PolarHBondContact OD1-N 3.06Å; N442-S445 PolarHBondContact O-N 3.36Å
443	R	82.8	Confident	85.2	Confident	139 Å²	139	50 Å²	50	53%	0.525	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-15.8	179	-61.7	173.9	67.9	168.6	7.3	114.4	A441 S550	A441-R443 PolarHBondContact O-N 2.79Å; R443-S550 VanDerWaalsContact NH1-C 3.29Å; R443-S550 PolarHBondContact NH1-OXT 2.72Å; R443-S550 PolarHBondContact NH2-OXT 2.93Å
444	K	72.9	Confident	85.4	Confident	169 Å²	169	45.8 Å²	45.8	74%	0.735	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	1.8	-177.3	-63.5	-175.7	180	179.5	0	112.7	N442 F446	N442-K444 PolarHBondContact O-N 3.36Å; N442-K444 PolarHBondContact OD1-N 3.06Å; K444-F446 PolarHBondContact O-N 3.44Å
445	S	66.6	Low	85.5	Confident	8 Å²	8	45.3 Å²	45.3	6%	0.056	24%	0.239	C	C	.	.			trans	-70.7	112.1	175.8	-172.4	0	0	0	0	110	R413 N442 V447	R413-S445 WeakPolarHBondContact O-CB 3.34Å; R413-S445 PolarHBondContact O-OG 2.98Å; N442-S445 PolarHBondContact O-N 3.36Å; S445-V447 PolarHBondContact O-N 3.21Å; S445-V447 VanDerWaalsContact O-N 3.15Å
446	F	56.2	Low	85.6	Confident	206 Å²	206	44.3 Å²	44.3	90%	0.904	24%	0.235	S	C	*	.	S	Bend	trans	-64.1	-13.6	174.7	-65.7	-78.7	0	0	0	113.6	K444	K444-F446 PolarHBondContact O-N 3.44Å
447	V	57.9	Low	85.7	Confident	84 Å²	84	43.7 Å²	43.7	51%	0.509	23%	0.232	S	C	.	.	S	Bend	trans	-97.8	-36	-174.3	-175.8	0	0	0	0	111.4	S445	S445-V447 PolarHBondContact O-N 3.21Å; S445-V447 VanDerWaalsContact O-N 3.15Å
448	C	62.2	Low	85.7	Confident	20 Å²	20	43.2 Å²	43.2	14%	0.135	23%	0.23	C	C	.	.			trans	-129.6	93.2	179.4	-53	0	0	0	0	108.8	Y450	C448-Y450 HydrophobicContact CB-CD2 4.08Å; C448-Y450 HydrophobicContact CB-CE2 3.44Å; C448-Y450 VanDerWaalsContact CB-CE2 3.44Å; C448-Y450 PolarHBondContact O-N 3.1Å; C448-Y450 VanDerWaalsContact O-N 3.15Å
449	S	72.4	Confident	85.7	Confident	111 Å²	111	43 Å²	43	78%	0.776	23%	0.229	S	C	*	.			trans	-85.1	83.7	178.7	179.3	0	0	0	0	110.3
450	Y	85.8	Confident	85.6	Confident	18 Å²	18	43 Å²	43	7%	0.071	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-73.5	147.6	173.4	-62.8	-67.4	0	0	0	111.8	L414 A441 C448 D481 F483 V540 M542	L414-Y450 HydrophobicContact CD2-CE2 3.78Å; A441-Y450 HydrophobicContact CB-CD2 4.28Å; C448-Y450 HydrophobicContact CB-CD2 4.08Å; C448-Y450 HydrophobicContact CB-CE2 3.44Å; C448-Y450 VanDerWaalsContact CB-CE2 3.44Å; C448-Y450 PolarHBondContact O-N 3.1Å; C448-Y450 VanDerWaalsContact O-N 3.15Å; Y450-D481 HydrophobicContact CE1-CB 4.21Å; Y450-D481 PolarHBondContact OH-OD2 2.84Å; Y450-F483 VanDerWaalsContact OH-CE2 3.24Å; Y450-F483 WeakPolarHBondContact OH-CE2 3.36Å; Y450-F483 VanDerWaalsContact OH-CZ 3.25Å; Y450-F483 WeakPolarHBondContact OH-CZ 3.13Å; Y450-V540 HydrophobicContact CD1-CG1 3.69Å; Y450-V540 HydrophobicContact CD2-CG1 3.94Å; Y450-V540 HydrophobicContact CE1-CB 4.06Å; Y450-V540 HydrophobicContact CE1-CG1 3.69Å; Y450-V540 HydrophobicContact CE1-CG2 4.39Å; Y450-V540 HydrophobicContact CE2-CB 4.38Å; Y450-V540 HydrophobicContact CE2-CG1 3.92Å; Y450-V540 HydrophobicContact CE2-CG2 3.97Å; Y450-V540 HydrophobicContact CG-CG1 3.82Å; Y450-M542 HydrophobicContact CD1-CG 3.81Å; Y450-M542 HydrophobicContact CD1-SD 4.01Å; Y450-M542 HydrophobicContact CE1-CG 4Å; Y450-M542 HydrophobicContact CE1-SD 3.9Å
451	P	87.8	Confident	85.6	Confident	67 Å²	67	42.9 Å²	42.9	44%	0.435	23%	0.228	S	C	.	.	P	Polyproline II helix	trans	-66.1	160.4	179.1	29.6	-36.4	0	0	0	112	A454 M542	P451-A454 HydrophobicContact CG-CB 4.48Å; P451-A454 VanDerWaalsContact O-CB 3.31Å; P451-A454 WeakPolarHBondContact O-CB 3.47Å; P451-A454 PolarHBondContact O-N 3.08Å; P451-M542 VanDerWaalsContact CG-O 3.26Å; P451-M542 WeakPolarHBondContact CG-O 3.26Å
452	G	90.8	Very high	85.5	Confident	40 Å²	40	42.7 Å²	42.7	41%	0.412	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	139.6	169.6	0	0	0	0	0	110.6
453	G	93.8	Very high	85.5	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.01	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.2	-5.7	-175	0	0	0	0	0	115.4	Q545 A546 C549	G453-Q545 PolarHBondContact O-N 2.85Å; G453-A546 WeakPolarHBondContact CA-O 3.47Å; G453-A546 WeakPolarHBondContact O-CB 3.21Å; G453-A546 PolarHBondContact O-N 2.95Å; G453-C549 PolarHBondContact N-O 3.47Å
454	A	95.4	Very high	86	Confident	2 Å²	2	43.5 Å²	43.5	2%	0.017	23%	0.231	C	C	.	.			trans	-69.5	143.8	174	0	0	0	0	0	112	A441 P451 M541	A441-A454 HydrophobicContact CB-CB 3.83Å; A441-A454 PolarHBondContact N-O 2.94Å; P451-A454 HydrophobicContact CG-CB 4.48Å; P451-A454 VanDerWaalsContact O-CB 3.31Å; P451-A454 WeakPolarHBondContact O-CB 3.47Å; P451-A454 PolarHBondContact O-N 3.08Å; A454-M541 WeakPolarHBondContact CA-O 3.42Å
455	V	97.3	Very high	86.8	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	153.9	178.5	-59	0	0	0	0	111.4	M43 L45 L420 L438 H439 V540 M541 A544 A546	M43-V455 HydrophobicContact CE-CG2 4.38Å; L45-V455 HydrophobicContact CD2-CG1 4.12Å; L45-V455 HydrophobicContact CD2-CG2 4.46Å; L420-V455 HydrophobicContact CD1-CB 4.37Å; L420-V455 HydrophobicContact CD1-CG1 3.66Å; L438-V455 HydrophobicContact CD1-CB 4.13Å; L438-V455 HydrophobicContact CD1-CG2 4.16Å; H439-V455 CarbonylContact O-C 3.59Å; H439-V455 WeakPolarHBondContact O-CA 3.38Å; H439-V455 WeakPolarHBondContact O-CB 3.44Å; V455-V540 CarbonylContact O-C 3.6Å; V455-V540 WeakPolarHBondContact O-CA 3.28Å; V455-M541 HydrophobicContact CG2-CB 3.94Å; V455-M541 HydrophobicContact CG2-CE 3.77Å; V455-M541 HydrophobicContact CG2-SD 3.99Å; V455-M541 PolarHBondContact N-O 3.18Å; V455-M541 PolarHBondContact O-N 3.39Å; V455-A544 HydrophobicContact CG1-CB 4.44Å; V455-A544 HydrophobicContact CG2-CB 3.69Å; V455-A546 HydrophobicContact CG1-CB 3.56Å
456	V	97.8	Very high	88.1	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	116.7	179.9	-177.4	0	0	0	0	109.8	L414 V415 H439 A441 F538 F539 V540	L414-V456 HydrophobicContact CB-CG1 4.45Å; L414-V456 WeakPolarHBondContact O-CG2 3.38Å; V415-V456 HydrophobicContact CG2-CG1 4.33Å; H439-V456 PolarHBondContact N-O 2.86Å; H439-V456 VanDerWaalsContact N-O 3.1Å; H439-V456 PolarHBondContact O-N 3.46Å; A441-V456 HydrophobicContact CB-CG2 3.69Å; V456-F538 HydrophobicContact CG1-CB 4.03Å; V456-F538 HydrophobicContact CG1-CD1 4.06Å; V456-F539 WeakPolarHBondContact CA-O 3.3Å; V456-V540 HydrophobicContact CG1-CG2 4.44Å; V456-V540 HydrophobicContact CG2-CB 4.28Å; V456-V540 HydrophobicContact CG2-CG1 3.98Å; V456-V540 HydrophobicContact CG2-CG2 3.85Å
457	L	98.5	Very high	89.9	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	114.5	168.8	-179.1	69.4	0	0	0	108.5	L41 L422 L436 Y437 L438 I469 F538 F539 M541	L41-L457 HydrophobicContact CD1-CD2 4.05Å; L422-L457 HydrophobicContact CD1-CD1 3.39Å; L436-L457 HydrophobicContact CB-CD1 4.26Å; L436-L457 HydrophobicContact CD2-CD1 4.48Å; Y437-L457 WeakPolarHBondContact O-CA 3.49Å; L438-L457 HydrophobicContact CD1-CB 4.39Å; L457-I469 HydrophobicContact CD2-CD1 3.38Å; L457-F538 CarbonylContact O-C 3.59Å; L457-F538 WeakPolarHBondContact O-CA 3.49Å; L457-F539 HydrophobicContact CB-CB 4.39Å; L457-F539 HydrophobicContact CD2-CD2 4.31Å; L457-F539 PolarHBondContact N-O 3.48Å; L457-F539 PolarHBondContact O-N 3.4Å; L457-M541 HydrophobicContact CB-CE 3.42Å; L457-M541 VanDerWaalsContact CB-CE 3.42Å
458	I	98.7	Very high	91.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	130.8	168.7	-52.3	175.8	0	0	0	107	L367 Y411 V415 L436 Y437 F538	L367-I458 HydrophobicContact CD1-CG2 3.51Å; L367-I458 HydrophobicContact CD2-CG2 3.61Å; L367-I458 HydrophobicContact CG-CG2 3.56Å; Y411-I458 HydrophobicContact CD2-CD1 4.31Å; Y411-I458 HydrophobicContact CE2-CD1 3.76Å; V415-I458 HydrophobicContact CG1-CD1 4.17Å; V415-I458 HydrophobicContact CG2-CD1 3.92Å; V415-I458 HydrophobicContact CG2-CG1 4.17Å; L436-I458 WeakPolarHBondContact CA-O 3.39Å; Y437-I458 PolarHBondContact N-O 3.44Å; Y437-I458 PolarHBondContact O-N 2.69Å; I458-F538 HydrophobicContact CB-CD1 4.47Å; I458-F538 HydrophobicContact CD1-CE1 4.47Å; I458-F538 HydrophobicContact CG1-CD1 3.94Å; I458-F538 HydrophobicContact CG1-CE1 4.01Å; I458-F538 HydrophobicContact CG2-CD1 4.44Å; I458-F538 HydrophobicContact CG2-CE1 4.16Å
459	W	98.3	Very high	93.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	150.1	-177.7	65.8	-92.4	0	0	0	112.7	R435 L436 N461 V484 L531 S535 L536 G537 F539	R435-W459 CarbonylContact O-C 3.39Å; R435-W459 WeakPolarHBondContact O-CA 3.4Å; L436-W459 HydrophobicContact CD2-CB 3.46Å; L436-W459 VanDerWaalsContact CD2-CB 3.46Å; W459-N461 HydrophobicContact CZ3-CB 4.42Å; W459-V484 HydrophobicContact CH2-CG1 3.98Å; W459-V484 HydrophobicContact CZ2-CB 4.43Å; W459-V484 HydrophobicContact CZ2-CG1 3.98Å; W459-V484 HydrophobicContact CZ2-CG2 4.1Å; W459-L531 HydrophobicContact CB-CD1 4.47Å; W459-L531 HydrophobicContact CB-CD2 4.29Å; W459-L531 HydrophobicContact CD2-CD2 3.65Å; W459-L531 HydrophobicContact CE3-CB 3.89Å; W459-L531 HydrophobicContact CE3-CD1 4.18Å; W459-L531 HydrophobicContact CE3-CD2 3.74Å; W459-L531 HydrophobicContact CE3-CG 4.14Å; W459-L531 HydrophobicContact CG-CD2 3.91Å; W459-L531 HydrophobicContact CZ3-CB 3.82Å; W459-L531 HydrophobicContact CZ3-CD2 4.28Å; W459-S535 WeakPolarHBondContact CH2-OG 3.42Å; W459-S535 WeakPolarHBondContact CZ3-OG 3.1Å; W459-L536 CarbonylContact O-C 3.59Å; W459-L536 VanDerWaalsContact O-CA 3.3Å; W459-L536 WeakPolarHBondContact O-CA 3.34Å; W459-G537 PolarHBondContact N-O 3.02Å; W459-G537 PolarHBondContact O-N 2.79Å; W459-F539 AromaticContact CD1-CD2 3.49Å; W459-F539 VanDerWaalsContact CD1-CD2 3.49Å; W459-F539 AromaticContact CD1-CE2 3.59Å; W459-F539 HydrophobicContact CD2-CE2 4.37Å; W459-F539 AromaticContact CE2-CE2 3.85Å; W459-F539 AromaticContact CE2-CZ 3.77Å; W459-F539 HydrophobicContact CG-CD2 4.38Å; W459-F539 HydrophobicContact CG-CE2 4.21Å; W459-F539 HydrophobicContact CZ2-CE1 4.49Å; W459-F539 HydrophobicContact CZ2-CE2 4.48Å; W459-F539 AromaticContact CZ2-CZ 3.99Å; W459-F539 HydrophobicContact CZ2-CZ 3.99Å; W459-F539 AromaticContact NE1-CD1 3.97Å; W459-F539 AromaticContact NE1-CD2 3.52Å; W459-F539 AromaticContact NE1-CE1 3.77Å; W459-F539 AromaticContact NE1-CE2 3.32Å; W459-F539 VanDerWaalsContact NE1-CE2 3.32Å; W459-F539 AromaticContact NE1-CG 3.85Å; W459-F539 AromaticContact NE1-CZ 3.44Å
460	M	97.5	Very high	94.1	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	136	173.1	-66.7	167.1	-82.8	0	0	109.3	F364 L367 D368 V434 R435 Y437 L462 L536	F364-M460 HydrophobicContact CD1-CB 4.15Å; F364-M460 HydrophobicContact CD1-CG 4.27Å; F364-M460 HydrophobicContact CD1-SD 4.48Å; F364-M460 HydrophobicContact CE1-CB 4.46Å; L367-M460 HydrophobicContact CB-CE 4.45Å; L367-M460 HydrophobicContact CB-CG 4.44Å; L367-M460 HydrophobicContact CB-SD 3.83Å; L367-M460 HydrophobicContact CD2-CG 3.81Å; L367-M460 HydrophobicContact CD2-SD 4.24Å; L367-M460 HydrophobicContact CG-CE 4.32Å; L367-M460 HydrophobicContact CG-CG 4.35Å; L367-M460 HydrophobicContact CG-SD 4.15Å; D368-M460 HydrophobicContact CB-CE 3.88Å; D368-M460 HydrophobicContact CB-SD 4.07Å; D368-M460 WeakPolarHBondContact OD1-CE 3.35Å; V434-M460 VanDerWaalsContact CA-O 3.31Å; V434-M460 WeakPolarHBondContact CA-O 3.44Å; R435-M460 HydrophobicContact CB-CB 4.45Å; R435-M460 HydrophobicContact CB-CE 3.7Å; R435-M460 PolarHBondContact N-O 3.4Å; R435-M460 PolarHBondContact O-N 3.04Å; Y437-M460 HydrophobicContact CD2-CE 4.19Å; Y437-M460 HydrophobicContact CE2-CE 3.6Å; M460-L462 HydrophobicContact CB-CD1 3.9Å; M460-L536 HydrophobicContact CB-CB 4.28Å; M460-L536 HydrophobicContact CG-CB 3.66Å
461	N	96.2	Very high	94.5	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	105	169.9	179.5	15.2	0	0	0	109.7	W459 S463 K465 L531 L532 Y534 S535	W459-N461 HydrophobicContact CZ3-CB 4.42Å; N461-S463 PolarHBondContact O-N 2.85Å; N461-S463 WeakPolarHBondContact OD1-CB 3.4Å; N461-S463 PolarHBondContact OD1-N 2.76Å; N461-S463 PolarHBondContact OD1-OG 2.82Å; N461-K465 PolarHBondContact ND2-O 3.04Å; N461-L531 HydrophobicContact CB-CB 4.04Å; N461-L531 PolarHBondContact ND2-O 2.87Å; N461-L532 WeakPolarHBondContact CB-O 3.42Å; N461-L532 PolarHBondContact ND2-O 3.15Å; N461-Y534 VanDerWaalsContact O-CA 3.28Å; N461-Y534 WeakPolarHBondContact O-CA 3.4Å; N461-Y534 PolarHBondContact O-N 3.25Å; N461-Y534 VanDerWaalsContact O-N 3.08Å; N461-S535 PolarHBondContact N-O 2.81Å; N461-S535 PolarHBondContact O-N 2.85Å
462	L	95.1	Very high	94.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.			trans	-86.6	7.5	178.7	-64.6	81.3	0	0	0	112.2	L317 F364 R433 R435 M460 Y534	L317-L462 HydrophobicContact CD1-CD2 3.76Å; F364-L462 HydrophobicContact CB-CD2 4.43Å; F364-L462 HydrophobicContact CD1-CD1 3.96Å; F364-L462 HydrophobicContact CD1-CD2 4.48Å; F364-L462 HydrophobicContact CD1-CG 3.75Å; F364-L462 HydrophobicContact CE1-CD1 4.45Å; F364-L462 HydrophobicContact CE1-CG 4.17Å; F364-L462 HydrophobicContact CG-CG 4.2Å; R433-L462 HydrophobicContact CB-CB 4.28Å; R433-L462 PolarHBondContact NH1-O 3.39Å; R433-L462 WeakPolarHBondContact O-CB 3.1Å; R433-L462 VanDerWaalsContact O-CD1 3.31Å; R433-L462 WeakPolarHBondContact O-CD1 3.31Å; R433-L462 PolarHBondContact O-N 2.73Å; R435-L462 HydrophobicContact CG-CD1 4.39Å; M460-L462 HydrophobicContact CB-CD1 3.9Å; L462-Y534 WeakPolarHBondContact O-CE1 3.47Å
463	S	92.6	Very high	94.6	Very high	25 Å²	25	31.8 Å²	31.8	18%	0.175	16%	0.158	C	C	.	.	S	Bend	trans	-94	154.5	-176.7	-49.9	0	0	0	0	111.8	R433 N461 K465 P533 Y534	R433-S463 VanDerWaalsContact CB-OG 3.32Å; R433-S463 WeakPolarHBondContact CB-OG 3.36Å; N461-S463 PolarHBondContact O-N 2.85Å; N461-S463 WeakPolarHBondContact OD1-CB 3.4Å; N461-S463 PolarHBondContact OD1-N 2.76Å; N461-S463 PolarHBondContact OD1-OG 2.82Å; S463-K465 PolarHBondContact O-N 2.71Å; S463-P533 WeakPolarHBondContact O-CA 3.36Å; S463-P533 WeakPolarHBondContact O-CB 3.37Å; S463-Y534 PolarHBondContact O-N 3.38Å
464	R	91.8	Very high	94.1	Very high	162 Å²	162	34.4 Å²	34.4	61%	0.611	19%	0.185	S	C	*	.	S	Bend	trans	-68.4	-18.5	172.9	-65.7	175	-174	-100.7	-9.9	113.7	E492 P533 Y534	R464-E492 IonicContact CZ-OE1 2.74Å; R464-E492 IonicContact CZ-OE2 3.86Å; R464-E492 IonicContact NH1-OE2 2.76Å; R464-E492 PolarHBondContact NH1-OE2 3.18Å; R464-E492 IonicContact NH2-OE1 2.9Å; R464-E492 PolarHBondContact NH2-OE1 3.43Å; R464-E492 IonicContact NH2-OE2 3.2Å; R464-E492 PolarHBondContact NH2-OE2 3.07Å; R464-P533 WeakPolarHBondContact O-CB 3.33Å; R464-Y534 HydrophobicContact CB-CE2 4.22Å; R464-Y534 HydrophobicContact CG-CE2 3.66Å; R464-Y534 WeakPolarHBondContact CG-OH 3.13Å; R464-Y534 PolarHBondContact NE-OH 3.42Å
465	K	91.3	Very high	93.9	Very high	126 Å²	126	34.4 Å²	34.4	55%	0.548	19%	0.185	S	C	.	.	S	Bend	trans	-110.8	150.5	-177.5	-70.7	-169.2	176.2	-171.7	0	110.7	D34 N461 S463	D34-K465 IonicContact OD1-NZ 2.73Å; D34-K465 PolarHBondContact OD1-NZ 2.96Å; N461-K465 PolarHBondContact ND2-O 3.04Å; S463-K465 PolarHBondContact O-N 2.71Å
466	P	93.3	Very high	93.6	Very high	42 Å²	42	35.3 Å²	35.3	27%	0.273	19%	0.191	S	C	.	.			trans	-64.3	152	170.9	28.4	-34	0	0	0	110	K530 L531	P466-K530 VanDerWaalsContact CB-CE 3.5Å; P466-K530 HydrophobicContact CB-CG 4.36Å; P466-L531 VanDerWaalsContact CA-O 3.25Å; P466-L531 WeakPolarHBondContact CA-O 3.37Å
467	V	93.4	Very high	93.3	Very high	4 Å²	4	39.1 Å²	39.1	2%	0.024	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	146.2	175.3	176.7	0	0	0	0	108.4	L37 L39 V434 L531	L37-V467 HydrophobicContact CB-CG1 4.25Å; L37-V467 HydrophobicContact CB-CG2 4.3Å; L37-V467 HydrophobicContact CD2-CG1 4.04Å; L37-V467 HydrophobicContact CD2-CG2 3.98Å; L37-V467 HydrophobicContact CG-CG1 4.09Å; L37-V467 WeakPolarHBondContact O-CG1 3.43Å; L39-V467 HydrophobicContact CD1-CG1 3.87Å; L39-V467 HydrophobicContact CG-CG1 4.02Å; V434-V467 HydrophobicContact CG2-CB 4.15Å; V434-V467 HydrophobicContact CG2-CG1 4.09Å; V434-V467 HydrophobicContact CG2-CG2 3.77Å; V467-L531 HydrophobicContact CB-CB 4.41Å; V467-L531 PolarHBondContact N-O 3.27Å; V467-L531 PolarHBondContact O-N 3.35Å
468	R	93.9	Very high	93	Very high	100 Å²	100	39.1 Å²	39.1	38%	0.377	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	136.4	172	-62.3	177.4	70.7	113.5	1.3	108.8	L37 V38 L39 L529	L37-R468 PolarHBondContact O-N 3.23Å; V38-R468 CarbonylContact C-O 3.6Å; V38-R468 VanDerWaalsContact CA-O 3.27Å; V38-R468 WeakPolarHBondContact CA-O 3.41Å; V38-R468 HydrophobicContact CG2-CB 4.27Å; L39-R468 PolarHBondContact N-O 3.44Å; R468-L529 CarbonylContact C-O 3.53Å; R468-L529 WeakPolarHBondContact CA-O 3.36Å
469	I	93.6	Very high	92.7	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	137.1	169.1	56.3	170.5	0	0	0	108.5	L39 L41 L436 L457 L471 H528 L529 L531 F539	L39-I469 HydrophobicContact CB-CG2 4.25Å; L39-I469 CarbonylContact O-C 3.54Å; L39-I469 WeakPolarHBondContact O-CA 3.2Å; L41-I469 HydrophobicContact CD1-CB 4.13Å; L41-I469 HydrophobicContact CD1-CD1 3.96Å; L41-I469 HydrophobicContact CD2-CB 4.4Å; L41-I469 HydrophobicContact CD2-CG2 4.37Å; L41-I469 HydrophobicContact CG-CB 4.23Å; L436-I469 HydrophobicContact CD1-CG2 4.22Å; L457-I469 HydrophobicContact CD2-CD1 3.38Å; I469-L471 HydrophobicContact CD1-CD2 4.38Å; I469-H528 CarbonylContact O-C 3.6Å; I469-H528 WeakPolarHBondContact O-CA 3.14Å; I469-L529 HydrophobicContact CD1-CB 3.98Å; I469-L529 HydrophobicContact CD1-CD1 4.27Å; I469-L529 HydrophobicContact CG1-CB 3.73Å; I469-L529 WeakPolarHBondContact CG1-O 3.37Å; I469-L529 PolarHBondContact N-O 3.06Å; I469-L529 PolarHBondContact O-N 3.4Å; I469-L531 HydrophobicContact CD1-CD2 4.15Å; I469-L531 HydrophobicContact CG1-CD2 4.33Å; I469-L531 HydrophobicContact CG2-CD1 3.83Å; I469-L531 HydrophobicContact CG2-CG 4.2Å; I469-F539 HydrophobicContact CD1-CD2 4.47Å; I469-F539 HydrophobicContact CD1-CE2 4.46Å
470	S	93.9	Very high	92.6	Very high	24 Å²	24	41 Å²	41	17%	0.168	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	121.3	175.5	-160.8	0	0	0	0	108.9	L39 D40 L41 E527 H528	L39-S470 PolarHBondContact O-N 3.29Å; D40-S470 WeakPolarHBondContact OD1-CB 3.41Å; L41-S470 PolarHBondContact N-O 3.39Å; L41-S470 VanDerWaalsContact N-O 3.09Å; S470-E527 WeakPolarHBondContact CA-O 3.43Å; S470-H528 PolarHBondContact OG-CE1 2.82Å
471	L	94	Very high	92.5	Very high	14 Å²	14	41.9 Å²	41.9	7%	0.073	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-85.7	143.4	-178.4	-63.3	-178.2	0	0	0	110.7	L41 I469 E527 L529	L41-L471 HydrophobicContact CD1-CD2 4.19Å; I469-L471 HydrophobicContact CD1-CD2 4.38Å; L471-E527 PolarHBondContact N-O 3.45Å; L471-L529 HydrophobicContact CD1-CD1 3.91Å; L471-L529 HydrophobicContact CD1-CG 3.94Å; L471-L529 HydrophobicContact CD2-CD1 4.26Å; L471-L529 HydrophobicContact CG-CD1 4.42Å; L471-L529 HydrophobicContact CG-CG 4.36Å
472	P	92.7	Very high	92.5	Very high	34 Å²	34	42 Å²	42	22%	0.221	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-56.4	148.8	170.4	-21.8	30.6	0	0	0	111.7	L41 M43 G474 V475 S476	L41-P472 WeakPolarHBondContact O-CG 3.46Å; M43-P472 HydrophobicContact CB-CG 4.25Å; M43-P472 HydrophobicContact CG-CG 4.05Å; M43-P472 HydrophobicContact SD-CG 4.14Å; P472-G474 PolarHBondContact O-N 3.47Å; P472-G474 VanDerWaalsContact O-N 3.09Å; P472-V475 PolarHBondContact O-N 2.68Å; P472-S476 PolarHBondContact O-N 3.38Å
473	T	86.6	Confident	92.7	Very high	133 Å²	133	42.1 Å²	42.1	82%	0.816	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.2	-178.4	9.5	0	0	0	0	114.2	V475 S476	T473-V475 VanDerWaalsContact C-N 3.28Å; T473-V475 PolarHBondContact O-N 3.01Å; T473-S476 PolarHBondContact O-OG 3.16Å
474	G	84.1	Confident	92.9	Very high	56 Å²	56	41.9 Å²	41.9	58%	0.577	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-14.8	176.4	0	0	0	0	0	114.5	P472	P472-G474 PolarHBondContact O-N 3.47Å; P472-G474 VanDerWaalsContact O-N 3.09Å
475	V	91.1	Very high	93.2	Very high	3 Å²	3	34.2 Å²	34.2	2%	0.018	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.3	-28.1	-175.5	-175.8	0	0	0	0	111.7	M43 L45 P472 T473 S477 S478 M541	M43-V475 HydrophobicContact SD-CG1 4.44Å; M43-V475 HydrophobicContact SD-CG2 4.39Å; L45-V475 HydrophobicContact CD1-CG2 3.65Å; P472-V475 PolarHBondContact O-N 2.68Å; T473-V475 VanDerWaalsContact C-N 3.28Å; T473-V475 PolarHBondContact O-N 3.01Å; V475-S477 PolarHBondContact O-N 2.91Å; V475-S477 VanDerWaalsContact O-N 3.14Å; V475-S478 WeakPolarHBondContact O-CB 3.2Å; V475-S478 PolarHBondContact O-N 3.29Å; V475-M541 HydrophobicContact CG1-CB 4.12Å; V475-M541 HydrophobicContact CG1-CG 3.74Å; V475-M541 HydrophobicContact CG1-SD 3.4Å; V475-M541 WeakPolarHBondContact CG1-SD 3.24Å
476	S	91.1	Very high	93.5	Very high	18 Å²	18	30.8 Å²	30.8	13%	0.126	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-20	-179	61	0	0	0	0	114.1	P472 T473 S478 P525 A526	P472-S476 PolarHBondContact O-N 3.38Å; T473-S476 PolarHBondContact O-OG 3.16Å; S476-S478 VanDerWaalsContact C-N 3.31Å; S476-P525 CarbonylContact O-C 3.6Å; S476-P525 WeakPolarHBondContact O-CB 3.29Å; S476-A526 PolarHBondContact O-N 3.23Å; S476-A526 VanDerWaalsContact O-N 3.09Å
477	S	91.7	Very high	93.6	Very high	80 Å²	80	29.1 Å²	29.1	56%	0.559	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-9.4	172.5	57.8	0	0	0	0	113.8	V475 P525	V475-S477 PolarHBondContact O-N 2.91Å; V475-S477 VanDerWaalsContact O-N 3.14Å; S477-P525 WeakPolarHBondContact O-CB 3.1Å; S477-P525 VanDerWaalsContact O-CG 3.29Å; S477-P525 WeakPolarHBondContact O-CG 3.45Å
478	S	91.3	Very high	93.4	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	19%	0.194	C	C	.	.	S	Bend	trans	-72.8	141	-179.4	-178	0	0	0	0	111.5	V475 S476 P525 M541 M542 D543	V475-S478 WeakPolarHBondContact O-CB 3.2Å; V475-S478 PolarHBondContact O-N 3.29Å; S476-S478 VanDerWaalsContact C-N 3.31Å; S478-P525 WeakPolarHBondContact O-CA 3.47Å; S478-M541 VanDerWaalsContact OG-C 3.26Å; S478-M541 WeakPolarHBondContact OG-CA 3.14Å; S478-M542 PolarHBondContact OG-N 3.15Å; S478-M542 VanDerWaalsContact OG-N 3.14Å; S478-D543 PolarHBondContact OG-N 3.29Å
479	T	93.3	Very high	93.2	Very high	39 Å²	39	31.7 Å²	31.7	24%	0.239	20%	0.197	C	C	.	.			trans	-65.9	139.4	160.8	-44.6	0	0	0	0	108.5	M542 D543	T479-M542 HydrophobicContact CG2-CE 3.39Å; T479-M542 PolarHBondContact O-N 3.18Å; T479-M542 VanDerWaalsContact O-N 3.12Å; T479-D543 WeakPolarHBondContact CB-OD2 3.41Å; T479-D543 PolarHBondContact N-OD2 2.97Å; T479-D543 PolarHBondContact OG1-OD2 3.42Å
480	V	95.5	Very high	92.7	Very high	1 Å²	1	37 Å²	37	1%	0.006	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.9	-178.4	176	0	0	0	0	109.6	Q522 L523 L529 F539 V540 M541	V480-Q522 CarbonylContact O-C 3.57Å; V480-Q522 WeakPolarHBondContact O-CA 3.43Å; V480-L523 HydrophobicContact CB-CB 4.28Å; V480-L523 PolarHBondContact N-O 2.97Å; V480-L523 VanDerWaalsContact N-O 3.15Å; V480-L523 PolarHBondContact O-N 3.37Å; V480-L529 HydrophobicContact CG1-CD1 4.32Å; V480-L529 HydrophobicContact CG2-CD1 4.32Å; V480-L529 HydrophobicContact CG2-CD2 4.35Å; V480-F539 HydrophobicContact CG1-CB 3.76Å; V480-F539 HydrophobicContact CG1-CD1 3.9Å; V480-F539 HydrophobicContact CG1-CG 4.07Å; V480-V540 CarbonylContact C-O 3.57Å; V480-V540 WeakPolarHBondContact CA-O 3.5Å; V480-M541 HydrophobicContact CG2-CG 4.11Å
481	D	95.5	Very high	92.2	Very high	17 Å²	17	37.7 Å²	37.7	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	115.6	167.9	-160.7	19.1	0	0	0	109.3	Y450 F483 G520 T521 V540 M542	Y450-D481 HydrophobicContact CE1-CB 4.21Å; Y450-D481 PolarHBondContact OH-OD2 2.84Å; D481-F483 HydrophobicContact CB-CE2 4.11Å; D481-F483 WeakPolarHBondContact OD2-CE2 3.36Å; D481-F483 WeakPolarHBondContact OD2-CZ 3.49Å; D481-G520 WeakPolarHBondContact OD1-CA 3.38Å; D481-T521 PolarHBondContact OD1-N 2.92Å; D481-V540 HydrophobicContact CB-CB 4.15Å; D481-V540 PolarHBondContact N-O 3.4Å; D481-V540 PolarHBondContact O-N 3.12Å; D481-M542 HydrophobicContact CB-CE 4.44Å; D481-M542 HydrophobicContact CB-SD 4.22Å
482	A	97.4	Very high	92	Very high	4 Å²	4	39.5 Å²	39.5	3%	0.033	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	128.9	-171.8	0	0	0	0	0	112.7	V484 N503 G520 T521 L523 F539	A482-V484 HydrophobicContact CB-CG2 4.42Å; A482-N503 PolarHBondContact O-ND2 3.16Å; A482-N503 PolarHBondContact O-OD1 3.45Å; A482-G520 CarbonylContact O-C 3.6Å; A482-G520 VanDerWaalsContact O-CA 3.32Å; A482-G520 WeakPolarHBondContact O-CA 3.45Å; A482-T521 WeakPolarHBondContact CB-O 3.45Å; A482-T521 PolarHBondContact N-O 3.23Å; A482-T521 PolarHBondContact O-N 3.18Å; A482-L523 HydrophobicContact CB-CD1 3.78Å; A482-L523 HydrophobicContact CB-CG 4.05Å; A482-F539 HydrophobicContact CB-CD1 3.72Å; A482-F539 HydrophobicContact CB-CE1 3.68Å
483	F	97.9	Very high	91.8	Very high	1 Å²	1	45.8 Å²	45.8	0%	0.004	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	88.5	174.8	-61.5	-98.5	0	0	0	108.6	L410 L414 Y450 D481 L502 L518 G520 G537 F538 V540	L410-F483 HydrophobicContact CD2-CD1 3.62Å; L410-F483 HydrophobicContact CD2-CE1 4.2Å; L410-F483 HydrophobicContact CD2-CG 4.35Å; L414-F483 HydrophobicContact CD1-CB 4.17Å; L414-F483 HydrophobicContact CD1-CD1 4.03Å; L414-F483 HydrophobicContact CD1-CD2 3.62Å; L414-F483 HydrophobicContact CD1-CE1 4.32Å; L414-F483 HydrophobicContact CD1-CE2 3.97Å; L414-F483 HydrophobicContact CD1-CG 3.66Å; L414-F483 HydrophobicContact CD1-CZ 4.3Å; L414-F483 HydrophobicContact CD2-CD2 4.34Å; L414-F483 HydrophobicContact CD2-CE1 4.27Å; L414-F483 HydrophobicContact CD2-CE2 3.82Å; L414-F483 HydrophobicContact CD2-CZ 3.77Å; Y450-F483 VanDerWaalsContact OH-CE2 3.24Å; Y450-F483 WeakPolarHBondContact OH-CE2 3.36Å; Y450-F483 VanDerWaalsContact OH-CZ 3.25Å; Y450-F483 WeakPolarHBondContact OH-CZ 3.13Å; D481-F483 HydrophobicContact CB-CE2 4.11Å; D481-F483 WeakPolarHBondContact OD2-CE2 3.36Å; D481-F483 WeakPolarHBondContact OD2-CZ 3.49Å; F483-L502 HydrophobicContact CB-CD1 3.89Å; F483-L502 HydrophobicContact CD1-CD1 4.13Å; F483-L502 HydrophobicContact CD1-CD2 4.35Å; F483-L502 HydrophobicContact CG-CD1 4.5Å; F483-L518 WeakPolarHBondContact CE1-O 3.23Å; F483-G520 VanDerWaalsContact CE1-CA 3.49Å; F483-G520 VanDerWaalsContact CZ-CA 3.5Å; F483-G537 CarbonylContact O-C 3.56Å; F483-G537 WeakPolarHBondContact O-CA 3.33Å; F483-F538 HydrophobicContact CB-CB 4.18Å; F483-F538 HydrophobicContact CB-CD2 4.24Å; F483-F538 PolarHBondContact N-O 3.24Å; F483-F538 PolarHBondContact O-N 3.24Å; F483-V540 HydrophobicContact CD2-CG2 4.28Å; F483-V540 HydrophobicContact CE2-CG2 3.92Å
484	V	98.1	Very high	92.2	Very high	20 Å²	20	39.4 Å²	39.4	12%	0.121	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	116.9	-176.5	-172.2	0	0	0	0	109.3	W459 A482 Q486 L502 N503 L532 F539	W459-V484 HydrophobicContact CH2-CG1 3.98Å; W459-V484 HydrophobicContact CZ2-CB 4.43Å; W459-V484 HydrophobicContact CZ2-CG1 3.98Å; W459-V484 HydrophobicContact CZ2-CG2 4.1Å; A482-V484 HydrophobicContact CB-CG2 4.42Å; V484-Q486 HydrophobicContact CG1-CG 4.12Å; V484-L502 WeakPolarHBondContact O-CA 3.29Å; V484-N503 PolarHBondContact N-OD1 3.11Å; V484-N503 PolarHBondContact O-N 2.59Å; V484-L532 HydrophobicContact CG1-CD1 4.18Å; V484-F539 HydrophobicContact CG2-CE1 4.44Å
485	L	98.3	Very high	92.8	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	130.7	172.9	-64.5	177.2	0	0	0	110.6	F360 L407 L410 V500 Q501 L502 L507 S535 L536	F360-L485 HydrophobicContact CE2-CB 4.12Å; F360-L485 WeakPolarHBondContact CZ-O 3.3Å; L407-L485 HydrophobicContact CB-CD1 4.13Å; L407-L485 HydrophobicContact CD1-CD1 3.94Å; L410-L485 HydrophobicContact CD1-CD1 3.88Å; L410-L485 HydrophobicContact CD1-CD2 3.65Å; L410-L485 HydrophobicContact CD1-CG 3.94Å; L485-V500 HydrophobicContact CB-CG2 4.1Å; L485-V500 HydrophobicContact CD2-CG2 3.91Å; L485-V500 HydrophobicContact CG-CG2 4.47Å; L485-Q501 WeakPolarHBondContact CA-O 3.29Å; L485-L502 HydrophobicContact CD2-CB 4.06Å; L485-L502 HydrophobicContact CD2-CD1 4.04Å; L485-L507 HydrophobicContact CD2-CD1 4.22Å; L485-S535 WeakPolarHBondContact O-CB 3.27Å; L485-L536 WeakPolarHBondContact CA-O 3.48Å; L485-L536 HydrophobicContact CB-CD1 3.86Å; L485-L536 WeakPolarHBondContact CB-O 3.48Å; L485-L536 HydrophobicContact CD1-CD1 3.72Å; L485-L536 HydrophobicContact CG-CD1 4.33Å; L485-L536 PolarHBondContact N-O 3.03Å; L485-L536 PolarHBondContact O-N 2.95Å
486	Q	96.9	Very high	93.1	Very high	54 Å²	54	41.7 Å²	41.7	25%	0.252	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	154.4	175.5	-61.1	-176.3	-100.3	0	0	109.4	V484 V500 Q501	V484-Q486 HydrophobicContact CG1-CG 4.12Å; Q486-V500 WeakPolarHBondContact O-CG2 3.41Å; Q486-Q501 PolarHBondContact N-O 2.89Å; Q486-Q501 VanDerWaalsContact N-O 3.09Å; Q486-Q501 PolarHBondContact O-N 3.37Å
487	S	95.9	Very high	93.4	Very high	7 Å²	7	41.7 Å²	41.7	5%	0.049	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	154.2	163.5	45.8	0	0	0	0	110.9	Q489 G494	S487-Q489 PolarHBondContact O-N 3.36Å; S487-Q489 VanDerWaalsContact O-N 3.08Å; S487-Q489 PolarHBondContact OG-O 2.98Å; S487-G494 VanDerWaalsContact CB-C 3.42Å; S487-G494 WeakPolarHBondContact CB-O 3.34Å; S487-G494 WeakPolarHBondContact OG-CA 3.42Å; S487-G494 PolarHBondContact OG-O 3.42Å
488	N	89.4	Confident	93.7	Very high	59 Å²	59	42.9 Å²	42.9	32%	0.316	23%	0.226	S	C	.	.	S	Bend	trans	-66.1	-4.7	174.4	69.7	-27.4	0	0	0	114.6	S497 S499 Q501 L506	N488-S497 VanDerWaalsContact OD1-CB 3.24Å; N488-S497 WeakPolarHBondContact OD1-CB 3.41Å; N488-S497 PolarHBondContact OD1-OG 2.76Å; N488-S499 PolarHBondContact N-O 3.01Å; N488-Q501 HydrophobicContact CB-CG 4.33Å; N488-L506 HydrophobicContact CB-CD1 4.47Å
489	Q	89.4	Confident	94	Very high	98 Å²	98	45 Å²	45	46%	0.458	24%	0.241	S	C	.	.	S	Bend	trans	-123.1	143.3	170.7	-63.3	-177.8	-3.3	0	0	109	S487	S487-Q489 PolarHBondContact O-N 3.36Å; S487-Q489 VanDerWaalsContact O-N 3.08Å; S487-Q489 PolarHBondContact OG-O 2.98Å
490	P	82	Confident	94.2	Very high	113 Å²	113	43.2 Å²	43.2	73%	0.734	23%	0.23	S	C	*	.			trans	-75.1	152	-177.4	30.7	-34.8	0	0	0	112.4
491	G	84.3	Confident	94.3	Very high	37 Å²	37	45.6 Å²	45.6	38%	0.381	24%	0.241	S	C	.	.	S	Bend	trans	73.4	-157.9	169.7	0	0	0	0	0	114.6	E493 G494	G491-E493 VanDerWaalsContact C-N 3.29Å; G491-E493 PolarHBondContact O-N 3.42Å; G491-G494 PolarHBondContact O-N 2.79Å
492	E	89.2	Confident	94.4	Very high	52 Å²	52	45 Å²	45	24%	0.243	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-66.9	-29.8	-175.2	-166.4	170.2	-157.8	0	0	112.3	L308 Q309 R464 G494 L495 Y534	L308-E492 HydrophobicContact CD2-CG 4.32Å; Q309-E492 PolarHBondContact NE2-OE1 2.86Å; Q309-E492 VanDerWaalsContact NE2-OE1 3.08Å; R464-E492 IonicContact CZ-OE1 2.74Å; R464-E492 IonicContact CZ-OE2 3.86Å; R464-E492 IonicContact NH1-OE2 2.76Å; R464-E492 PolarHBondContact NH1-OE2 3.18Å; R464-E492 IonicContact NH2-OE1 2.9Å; R464-E492 PolarHBondContact NH2-OE1 3.43Å; R464-E492 IonicContact NH2-OE2 3.2Å; R464-E492 PolarHBondContact NH2-OE2 3.07Å; E492-G494 VanDerWaalsContact C-N 3.27Å; E492-G494 PolarHBondContact O-N 3.09Å; E492-L495 HydrophobicContact CB-CD1 4.49Å; E492-L495 HydrophobicContact CG-CD1 4.05Å; E492-L495 WeakPolarHBondContact O-CB 3.19Å; E492-L495 PolarHBondContact O-N 3.19Å; E492-Y534 HydrophobicContact CB-CD2 4.45Å; E492-Y534 HydrophobicContact CB-CE2 3.92Å; E492-Y534 HydrophobicContact CG-CE2 4.47Å
493	E	89.2	Confident	94.4	Very high	166 Å²	166	47 Å²	47	78%	0.776	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-62.3	-33.7	179	-64	-178.3	-179.8	0	0	112.5	G491 L495	G491-E493 VanDerWaalsContact C-N 3.29Å; G491-E493 PolarHBondContact O-N 3.42Å; E493-L495 VanDerWaalsContact C-N 3.35Å; E493-L495 PolarHBondContact O-N 3.46Å
494	G	94.3	Very high	94.3	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-79.5	-12.6	-179.5	0	0	0	0	0	115.1	S487 G491 E492 Q496 S497	S487-G494 VanDerWaalsContact CB-C 3.42Å; S487-G494 WeakPolarHBondContact CB-O 3.34Å; S487-G494 WeakPolarHBondContact OG-CA 3.42Å; S487-G494 PolarHBondContact OG-O 3.42Å; G491-G494 PolarHBondContact O-N 2.79Å; E492-G494 VanDerWaalsContact C-N 3.27Å; E492-G494 PolarHBondContact O-N 3.09Å; G494-Q496 PolarHBondContact O-N 3.32Å; G494-Q496 VanDerWaalsContact O-N 3.15Å; G494-S497 WeakPolarHBondContact O-CB 3.45Å; G494-S497 PolarHBondContact O-N 3.39Å
495	L	96.9	Very high	94.2	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-60.1	-30.8	-174.4	-72.8	-180	0	0	0	113.4	L308 L312 T359 F360 V361 F364 E492 E493 S497 Y534	L308-L495 HydrophobicContact CD1-CB 4.11Å; L308-L495 HydrophobicContact CD1-CD1 4.4Å; L312-L495 HydrophobicContact CD1-CD1 3.59Å; L312-L495 HydrophobicContact CD2-CD1 4.24Å; L312-L495 HydrophobicContact CG-CD1 4.44Å; T359-L495 PolarHBondContact OG1-O 2.8Å; F360-L495 HydrophobicContact CD1-CD2 3.95Å; F360-L495 HydrophobicContact CE1-CD2 4.27Å; F360-L495 PolarHBondContact N-O 3.19Å; V361-L495 HydrophobicContact CB-CB 4.13Å; V361-L495 WeakPolarHBondContact CB-O 3.01Å; V361-L495 HydrophobicContact CG2-CB 4.38Å; V361-L495 HydrophobicContact CG2-CD2 4.46Å; V361-L495 PolarHBondContact N-O 3.08Å; F364-L495 HydrophobicContact CE2-CD2 3.79Å; F364-L495 HydrophobicContact CZ-CD2 4.45Å; E492-L495 HydrophobicContact CB-CD1 4.49Å; E492-L495 HydrophobicContact CG-CD1 4.05Å; E492-L495 WeakPolarHBondContact O-CB 3.19Å; E492-L495 PolarHBondContact O-N 3.19Å; E493-L495 VanDerWaalsContact C-N 3.35Å; E493-L495 PolarHBondContact O-N 3.46Å; L495-S497 VanDerWaalsContact C-N 3.28Å; L495-S497 PolarHBondContact O-N 3.41Å; L495-Y534 HydrophobicContact CD1-CD1 3.93Å; L495-Y534 HydrophobicContact CD1-CE1 4.16Å; L495-Y534 HydrophobicContact CD1-CG 4.2Å; L495-Y534 HydrophobicContact CD2-CD1 4.37Å; L495-Y534 HydrophobicContact CD2-CG 4.32Å
496	Q	97.1	Very high	94.2	Very high	106 Å²	106	59.3 Å²	59.3	50%	0.495	32%	0.318	S	S	.	.	G	3₁₀ helix	trans	-89.6	12.5	177	-59.3	-171.7	-93	0	0	113.3	L308 G355 L356 T359 G494	L308-Q496 HydrophobicContact CD1-CG 4.16Å; G355-Q496 PolarHBondContact O-NE2 3.11Å; G355-Q496 VanDerWaalsContact O-NE2 3.15Å; L356-Q496 HydrophobicContact CD2-CG 4.13Å; T359-Q496 VanDerWaalsContact CB-C 3.48Å; T359-Q496 WeakPolarHBondContact CB-O 3.43Å; T359-Q496 WeakPolarHBondContact CG2-O 3.13Å; G494-Q496 PolarHBondContact O-N 3.32Å; G494-Q496 VanDerWaalsContact O-N 3.15Å
497	S	97.5	Very high	94.2	Very high	19 Å²	19	57.4 Å²	57.4	13%	0.133	31%	0.31	C	S	.	.			trans	-73.3	138.8	175.5	-174.7	0	0	0	0	111.9	T359 F360 N488 G494 L495 S499	T359-S497 CarbonylContact C-O 3.39Å; T359-S497 VanDerWaalsContact CA-O 3.27Å; T359-S497 WeakPolarHBondContact CA-O 3.29Å; T359-S497 WeakPolarHBondContact CB-O 3.42Å; F360-S497 PolarHBondContact N-O 2.99Å; N488-S497 VanDerWaalsContact OD1-CB 3.24Å; N488-S497 WeakPolarHBondContact OD1-CB 3.41Å; N488-S497 PolarHBondContact OD1-OG 2.76Å; G494-S497 WeakPolarHBondContact O-CB 3.45Å; G494-S497 PolarHBondContact O-N 3.39Å; L495-S497 VanDerWaalsContact C-N 3.28Å; L495-S497 PolarHBondContact O-N 3.41Å; S497-S499 PolarHBondContact OG-N 3.19Å; S497-S499 PolarHBondContact OG-O 2.74Å
498	R	97.5	Very high	94.3	Very high	105 Å²	105	63.9 Å²	63.9	40%	0.396	34%	0.337	S	S	.	.	S	Bend	trans	-83.9	4.5	168.8	-65.2	-178.4	58.2	158.3	-16.3	112.8	D358 T359 D396 L402 P403	D358-R498 WeakPolarHBondContact O-CG 3.45Å; D358-R498 WeakPolarHBondContact OD2-CD 3.33Å; D358-R498 IonicContact OD2-CZ 3.53Å; D358-R498 IonicContact OD2-NE 2.89Å; D358-R498 IonicContact OD2-NH1 2.68Å; D358-R498 PolarHBondContact OD2-NH1 3.34Å; T359-R498 HydrophobicContact CG2-CG 3.98Å; D396-R498 IonicContact OD2-CZ 3.25Å; D396-R498 IonicContact OD2-NH2 3.39Å; D396-R498 PolarHBondContact OD2-NH2 3.39Å; L402-R498 HydrophobicContact CD2-CB 4.1Å; L402-R498 HydrophobicContact CD2-CG 4.42Å; P403-R498 WeakPolarHBondContact CD-O 3.27Å
499	S	97.3	Very high	94.7	Very high	45 Å²	45	61.6 Å²	61.6	32%	0.315	32%	0.324	S	S	.	.			trans	-117.8	141.2	179.1	-66.1	0	0	0	0	110.6	N488 S497	N488-S499 PolarHBondContact N-O 3.01Å; S497-S499 PolarHBondContact OG-N 3.19Å; S497-S499 PolarHBondContact OG-O 2.74Å
500	V	98	Very high	95.1	Very high	2 Å²	2	61.7 Å²	61.7	1%	0.012	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	142.6	-179	64	0	0	0	0	110.4	F360 P403 W406 L485 Q486 L507	F360-V500 HydrophobicContact CD2-CB 4.25Å; F360-V500 HydrophobicContact CD2-CG2 3.74Å; F360-V500 HydrophobicContact CE2-CG2 3.74Å; P403-V500 HydrophobicContact CB-CB 4.1Å; P403-V500 HydrophobicContact CB-CG1 4.31Å; P403-V500 HydrophobicContact CG-CB 4.33Å; W406-V500 HydrophobicContact CB-CG1 3.89Å; W406-V500 VanDerWaalsContact CD1-CG1 3.47Å; W406-V500 HydrophobicContact CG-CG1 3.89Å; L485-V500 HydrophobicContact CB-CG2 4.1Å; L485-V500 HydrophobicContact CD2-CG2 3.91Å; L485-V500 HydrophobicContact CG-CG2 4.47Å; Q486-V500 WeakPolarHBondContact O-CG2 3.41Å; V500-L507 HydrophobicContact CG1-CB 4.26Å; V500-L507 HydrophobicContact CG1-CD1 4.23Å; V500-L507 PolarHBondContact O-N 3.22Å
501	Q	97.8	Very high	95.8	Very high	50 Å²	50	60 Å²	60	23%	0.234	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	141.6	172.2	-67.6	177.3	-19.4	0	0	110.2	L485 Q486 N488 E505	L485-Q501 WeakPolarHBondContact CA-O 3.29Å; Q486-Q501 PolarHBondContact N-O 2.89Å; Q486-Q501 VanDerWaalsContact N-O 3.09Å; Q486-Q501 PolarHBondContact O-N 3.37Å; N488-Q501 HydrophobicContact CB-CG 4.33Å; Q501-E505 CarbonylContact C-O 3.55Å; Q501-E505 WeakPolarHBondContact CA-O 3.21Å
502	L	98.1	Very high	96.3	Very high	6 Å²	6	61.7 Å²	61.7	3%	0.031	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	118.6	164.9	173.8	61.1	0	0	0	108.1	L410 F483 V484 L485 G504 E505 L507 L518	L410-L502 HydrophobicContact CD1-CD1 4.04Å; L410-L502 HydrophobicContact CD1-CD2 4.42Å; L410-L502 HydrophobicContact CD2-CD2 4.3Å; F483-L502 HydrophobicContact CB-CD1 3.89Å; F483-L502 HydrophobicContact CD1-CD1 4.13Å; F483-L502 HydrophobicContact CD1-CD2 4.35Å; F483-L502 HydrophobicContact CG-CD1 4.5Å; V484-L502 WeakPolarHBondContact O-CA 3.29Å; L485-L502 HydrophobicContact CD2-CB 4.06Å; L485-L502 HydrophobicContact CD2-CD1 4.04Å; L502-G504 PolarHBondContact O-N 2.78Å; L502-G504 VanDerWaalsContact O-N 3.08Å; L502-E505 PolarHBondContact N-O 3.34Å; L502-E505 PolarHBondContact O-N 3.37Å; L502-L507 HydrophobicContact CB-CD1 3.92Å; L502-L507 HydrophobicContact CB-CD2 3.87Å; L502-L507 HydrophobicContact CB-CG 3.89Å; L502-L507 HydrophobicContact CD2-CD2 4.35Å; L502-L518 HydrophobicContact CD2-CB 4.18Å; L502-L518 HydrophobicContact CD2-CD2 4.02Å
503	N	97.1	Very high	96.6	Very high	44 Å²	44	64.5 Å²	64.5	24%	0.235	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	53.2	32.2	179.3	-61.6	-33.5	0	0	0	113.7	A482 V484 N519 T521	A482-N503 PolarHBondContact O-ND2 3.16Å; A482-N503 PolarHBondContact O-OD1 3.45Å; V484-N503 PolarHBondContact N-OD1 3.11Å; V484-N503 PolarHBondContact O-N 2.59Å; N503-N519 PolarHBondContact ND2-O 3.09Å; N503-T521 PolarHBondContact ND2-N 3.48Å; N503-T521 PolarHBondContact ND2-OG1 2.83Å
504	G	95.2	Very high	97	Very high	44 Å²	44	59.5 Å²	59.5	45%	0.454	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.6	-8.2	-178.4	0	0	0	0	0	115.2	L502	L502-G504 PolarHBondContact O-N 2.78Å; L502-G504 VanDerWaalsContact O-N 3.08Å
505	E	96.7	Very high	97.1	Very high	150 Å²	150	61.3 Å²	61.3	70%	0.701	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	130.3	178.6	-61.4	-165.3	165.4	0	0	111.9	Q501 L502 L507	Q501-E505 CarbonylContact C-O 3.55Å; Q501-E505 WeakPolarHBondContact CA-O 3.21Å; L502-E505 PolarHBondContact N-O 3.34Å; L502-E505 PolarHBondContact O-N 3.37Å; E505-L507 PolarHBondContact O-N 3.11Å
506	L	97.6	Very high	97.1	Very high	88 Å²	88	62.5 Å²	62.5	46%	0.461	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	121.8	-179.6	179.7	68.4	0	0	0	111.1	N488	N488-L506 HydrophobicContact CB-CD1 4.47Å
507	L	98.2	Very high	96.9	Very high	15 Å²	15	64.7 Å²	64.7	8%	0.079	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-79.5	124.3	174.6	-67	-177.3	0	0	0	111	W406 L485 V500 L502 E505 P516 L518	W406-L507 HydrophobicContact CB-CD1 3.66Å; W406-L507 HydrophobicContact CD2-CB 3.79Å; W406-L507 HydrophobicContact CD2-CD1 3.91Å; W406-L507 HydrophobicContact CD2-CG 4.46Å; W406-L507 HydrophobicContact CE3-CB 4.28Å; W406-L507 HydrophobicContact CE3-CD1 4.07Å; W406-L507 HydrophobicContact CG-CB 3.99Å; W406-L507 HydrophobicContact CG-CD1 3.75Å; W406-L507 HydrophobicContact CZ2-CB 4.36Å; L485-L507 HydrophobicContact CD2-CD1 4.22Å; V500-L507 HydrophobicContact CG1-CB 4.26Å; V500-L507 HydrophobicContact CG1-CD1 4.23Å; V500-L507 PolarHBondContact O-N 3.22Å; L502-L507 HydrophobicContact CB-CD1 3.92Å; L502-L507 HydrophobicContact CB-CD2 3.87Å; L502-L507 HydrophobicContact CB-CG 3.89Å; L502-L507 HydrophobicContact CD2-CD2 4.35Å; E505-L507 PolarHBondContact O-N 3.11Å; L507-P516 HydrophobicContact CD2-CG 4.24Å; L507-L518 HydrophobicContact CD1-CD2 4.2Å; L507-L518 HydrophobicContact CD2-CD2 3.57Å
508	K	97.7	Very high	96.7	Very high	142 Å²	142	64.4 Å²	64.4	62%	0.617	33%	0.333	S	S	*	.			trans	-152.4	151.9	173.4	61.1	-179.8	-178.4	178.1	0	109.1	P516	K508-P516 WeakPolarHBondContact O-CB 3.5Å; K508-P516 VanDerWaalsContact O-CD 3.28Å; K508-P516 WeakPolarHBondContact O-CD 3.38Å; K508-P516 VanDerWaalsContact O-CG 3.25Å; K508-P516 WeakPolarHBondContact O-CG 3.19Å
509	M	97.9	Very high	96.3	Very high	12 Å²	12	64 Å²	64	6%	0.059	34%	0.339	C	S	.	.			trans	-59.9	143.7	168.4	-62.9	-169.7	80	0	0	110	R79 T82 L83 P401 W406 D511 L515	R79-M509 HydrophobicContact CG-CE 4.2Å; R79-M509 HydrophobicContact CG-SD 3.59Å; R79-M509 VanDerWaalsContact CG-SD 3.59Å; T82-M509 HydrophobicContact CG2-CE 3.7Å; L83-M509 HydrophobicContact CD1-SD 3.87Å; L83-M509 HydrophobicContact CD2-CE 3.99Å; L83-M509 HydrophobicContact CD2-CG 4.14Å; L83-M509 HydrophobicContact CD2-SD 3.61Å; L83-M509 HydrophobicContact CG-CE 3.99Å; L83-M509 HydrophobicContact CG-SD 3.77Å; P401-M509 HydrophobicContact CG-CG 4.01Å; W406-M509 HydrophobicContact CH2-CG 4.3Å; W406-M509 HydrophobicContact CZ2-CG 4.45Å; M509-D511 WeakPolarHBondContact CE-O 3.03Å; M509-L515 HydrophobicContact CE-CD2 4.22Å; M509-L515 HydrophobicContact CG-CD2 4.45Å
510	V	97.9	Very high	96.1	Very high	100 Å²	100	63 Å²	63	61%	0.606	34%	0.335	S	S	*	.	S	Bend	trans	-72.8	-45.4	173.5	176.9	0	0	0	0	109.1	T514	V510-T514 HydrophobicContact CB-CG2 4.15Å; V510-T514 HydrophobicContact CG2-CG2 4.4Å; V510-T514 PolarHBondContact N-O 3.19Å
511	D	96.6	Very high	96	Very high	76 Å²	76	66 Å²	66	41%	0.406	35%	0.354	S	S	.	.	B	Isolated β-bridge	trans	-156.7	-176.7	172.8	60	45.1	0	0	0	109.6	M509 K513 T514	M509-D511 WeakPolarHBondContact CE-O 3.03Å; D511-K513 PolarHBondContact O-N 2.88Å; D511-K513 WeakPolarHBondContact OD1-CA 3.5Å; D511-K513 WeakPolarHBondContact OD1-CB 3.5Å; D511-K513 PolarHBondContact OD1-N 3.14Å; D511-T514 PolarHBondContact O-N 2.92Å; D511-T514 VanDerWaalsContact OD1-CB 3.27Å; D511-T514 WeakPolarHBondContact OD1-CB 3.39Å; D511-T514 PolarHBondContact OD1-N 3.03Å; D511-T514 PolarHBondContact OD1-OG1 3.01Å; D511-T514 PolarHBondContact OD2-OG1 3.46Å
512	D	95.1	Very high	95.9	Very high	73 Å²	73	70.3 Å²	70.3	39%	0.39	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-13.7	-178.1	-65.9	-18.6	0	0	0	114.6	Q78 R79 T82	Q78-D512 CarbonylContact C-O 3.55Å; Q78-D512 HydrophobicContact CB-CB 4.45Å; Q78-D512 HydrophobicContact CG-CB 4.3Å; R79-D512 WeakPolarHBondContact CA-O 3.1Å; R79-D512 HydrophobicContact CB-CB 4.15Å; R79-D512 WeakPolarHBondContact CD-OD1 3.42Å; R79-D512 IonicContact CZ-OD1 3.64Å; R79-D512 IonicContact NH1-OD1 2.87Å; R79-D512 PolarHBondContact NH1-OD1 2.99Å; T82-D512 WeakPolarHBondContact CB-O 2.94Å; T82-D512 PolarHBondContact OG1-O 3.47Å
513	K	95.7	Very high	95.7	Very high	111 Å²	111	72.9 Å²	72.9	48%	0.483	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.6	-13.6	-177.6	-65.4	177.5	-175.8	170.9	0	113.5	Q78 T82 D511	Q78-K513 HydrophobicContact CG-CD 4.49Å; Q78-K513 HydrophobicContact CG-CG 3.54Å; T82-K513 VanDerWaalsContact CG2-C 3.49Å; T82-K513 WeakPolarHBondContact CG2-O 3.43Å; T82-K513 WeakPolarHBondContact OG1-CA 3.33Å; D511-K513 PolarHBondContact O-N 2.88Å; D511-K513 WeakPolarHBondContact OD1-CA 3.5Å; D511-K513 WeakPolarHBondContact OD1-CB 3.5Å; D511-K513 PolarHBondContact OD1-N 3.14Å
514	T	96.4	Very high	95.4	Very high	61 Å²	61	75.3 Å²	75.3	37%	0.374	41%	0.406	S	S	.	.	B	Isolated β-bridge	trans	-131.1	118.6	-162.6	-46.2	0	0	0	0	110.8	V510 D511	V510-T514 HydrophobicContact CB-CG2 4.15Å; V510-T514 HydrophobicContact CG2-CG2 4.4Å; V510-T514 PolarHBondContact N-O 3.19Å; D511-T514 PolarHBondContact O-N 2.92Å; D511-T514 VanDerWaalsContact OD1-CB 3.27Å; D511-T514 WeakPolarHBondContact OD1-CB 3.39Å; D511-T514 PolarHBondContact OD1-N 3.03Å; D511-T514 PolarHBondContact OD1-OG1 3.01Å; D511-T514 PolarHBondContact OD2-OG1 3.46Å
515	L	97.1	Very high	95.3	Very high	38 Å²	38	76.7 Å²	76.7	20%	0.199	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-76.3	152	169.1	-66.9	175.2	0	0	0	110.3	T82 L83 A86 Y405 W406 L409 M509	T82-L515 HydrophobicContact CG2-CG 4.38Å; L83-L515 HydrophobicContact CD2-CD2 3.96Å; A86-L515 HydrophobicContact CB-CD1 3.29Å; Y405-L515 HydrophobicContact CE1-CD2 4.4Å; W406-L515 HydrophobicContact CH2-CD2 4.1Å; W406-L515 HydrophobicContact CZ3-CD2 4.12Å; L409-L515 HydrophobicContact CD2-CD1 3.8Å; L409-L515 HydrophobicContact CD2-CD2 4.4Å; M509-L515 HydrophobicContact CE-CD2 4.22Å; M509-L515 HydrophobicContact CG-CD2 4.45Å
516	P	96.2	Very high	95	Very high	26 Å²	26	71.1 Å²	71.1	17%	0.169	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-65.8	160.7	170.7	33	-36.2	0	0	0	110	W406 L507 K508 L518	W406-P516 HydrophobicContact CH2-CG 3.65Å; W406-P516 HydrophobicContact CZ3-CG 3.66Å; L507-P516 HydrophobicContact CD2-CG 4.24Å; K508-P516 WeakPolarHBondContact O-CB 3.5Å; K508-P516 VanDerWaalsContact O-CD 3.28Å; K508-P516 WeakPolarHBondContact O-CD 3.38Å; K508-P516 VanDerWaalsContact O-CG 3.25Å; K508-P516 WeakPolarHBondContact O-CG 3.19Å; P516-L518 HydrophobicContact CG-CD2 4.36Å
517	E	93	Very high	94.8	Very high	152 Å²	152	73.5 Å²	73.5	71%	0.71	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-64.4	140.2	165.6	-64.9	-174.8	-179.1	0	0	109.8	N519	E517-N519 PolarHBondContact OE2-ND2 3.39Å
518	L	93	Very high	94.6	Very high	13 Å²	13	75.7 Å²	75.7	7%	0.068	41%	0.405	C	S	.	.			trans	-115.1	74.5	177.9	-61.3	-179.8	0	0	0	108	W406 L409 L410 F483 L502 L507 P516	W406-L518 HydrophobicContact CE3-CD2 4.49Å; L409-L518 HydrophobicContact CD2-CD1 3.64Å; L409-L518 HydrophobicContact CG-CD1 3.69Å; L410-L518 HydrophobicContact CD2-CB 4.13Å; L410-L518 HydrophobicContact CD2-CD1 4.15Å; L410-L518 HydrophobicContact CG-CD1 4.33Å; F483-L518 WeakPolarHBondContact CE1-O 3.23Å; L502-L518 HydrophobicContact CD2-CB 4.18Å; L502-L518 HydrophobicContact CD2-CD2 4.02Å; L507-L518 HydrophobicContact CD1-CD2 4.2Å; L507-L518 HydrophobicContact CD2-CD2 3.57Å; P516-L518 HydrophobicContact CG-CD2 4.36Å
519	N	90.7	Very high	94.5	Very high	97 Å²	97	69.2 Å²	69.2	52%	0.519	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-89.7	134.7	-175.6	-63.4	-29.1	0	0	0	110.6	N503 E517	N503-N519 PolarHBondContact ND2-O 3.09Å; E517-N519 PolarHBondContact OE2-ND2 3.39Å
520	G	92.9	Very high	94.3	Very high	22 Å²	22	74.4 Å²	74.4	23%	0.227	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-79.9	158.5	170.5	0	0	0	0	0	111.5	D481 A482 F483	D481-G520 WeakPolarHBondContact OD1-CA 3.38Å; A482-G520 CarbonylContact O-C 3.6Å; A482-G520 VanDerWaalsContact O-CA 3.32Å; A482-G520 WeakPolarHBondContact O-CA 3.45Å; F483-G520 VanDerWaalsContact CE1-CA 3.49Å; F483-G520 VanDerWaalsContact CZ-CA 3.5Å
521	T	95.5	Very high	94.2	Very high	66 Å²	66	69.6 Å²	69.6	41%	0.405	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	116.6	172.3	-61.2	0	0	0	0	108.4	D481 A482 N503 L523	D481-T521 PolarHBondContact OD1-N 2.92Å; A482-T521 WeakPolarHBondContact CB-O 3.45Å; A482-T521 PolarHBondContact N-O 3.23Å; A482-T521 PolarHBondContact O-N 3.18Å; N503-T521 PolarHBondContact ND2-N 3.48Å; N503-T521 PolarHBondContact ND2-OG1 2.83Å; T521-L523 HydrophobicContact CG2-CD2 4.37Å; T521-L523 PolarHBondContact O-N 3.44Å
522	Q	94.8	Very high	94.2	Very high	141 Å²	141	68.3 Å²	68.3	66%	0.659	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.5	125.4	175.4	-73	-172.4	-0.6	0	0	111	V480	V480-Q522 CarbonylContact O-C 3.57Å; V480-Q522 WeakPolarHBondContact O-CA 3.43Å
523	L	94.4	Very high	94.2	Very high	59 Å²	59	66.7 Å²	66.7	31%	0.309	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	138.4	171.5	-55.8	179.4	0	0	0	108.8	V480 A482 T521 L529	V480-L523 HydrophobicContact CB-CB 4.28Å; V480-L523 PolarHBondContact N-O 2.97Å; V480-L523 VanDerWaalsContact N-O 3.15Å; V480-L523 PolarHBondContact O-N 3.37Å; A482-L523 HydrophobicContact CB-CD1 3.78Å; A482-L523 HydrophobicContact CB-CG 4.05Å; T521-L523 HydrophobicContact CG2-CD2 4.37Å; T521-L523 PolarHBondContact O-N 3.44Å; L523-L529 HydrophobicContact CD1-CD2 4.41Å
524	P	90.6	Very high	94.2	Very high	96 Å²	96	62.1 Å²	62.1	62%	0.623	34%	0.336	S	S	*	.			trans	-65.5	160.2	175	30.2	-35.4	0	0	0	110.7	A526	P524-A526 PolarHBondContact O-N 3.32Å
525	P	92.6	Very high	94.2	Very high	72 Å²	72	59.2 Å²	59.2	47%	0.468	32%	0.318	S	S	.	.			trans	-49	132.3	171.1	-28.8	36.4	0	0	0	112	S476 S477 S478	S476-P525 CarbonylContact O-C 3.6Å; S476-P525 WeakPolarHBondContact O-CB 3.29Å; S477-P525 WeakPolarHBondContact O-CB 3.1Å; S477-P525 VanDerWaalsContact O-CG 3.29Å; S477-P525 WeakPolarHBondContact O-CG 3.45Å; S478-P525 WeakPolarHBondContact O-CA 3.47Å
526	A	91.3	Very high	94.3	Very high	34 Å²	34	57.4 Å²	57.4	28%	0.281	31%	0.309	S	S	.	.			trans	-150	142.6	-175.9	0	0	0	0	0	111	S476 P524 H528	S476-A526 PolarHBondContact O-N 3.23Å; S476-A526 VanDerWaalsContact O-N 3.09Å; P524-A526 PolarHBondContact O-N 3.32Å; A526-H528 PolarHBondContact O-N 3.45Å
527	E	92.6	Very high	94.4	Very high	137 Å²	137	56.2 Å²	56.2	64%	0.64	30%	0.301	S	S	*	.	S	Bend	trans	-66.4	-25.5	171.3	-65	-178.9	169.9	0	0	112.1	S470 L471	S470-E527 WeakPolarHBondContact CA-O 3.43Å; L471-E527 PolarHBondContact N-O 3.45Å
528	H	93.8	Very high	94.6	Very high	61 Å²	61	49 Å²	49	28%	0.282	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	136.8	-177	-57.4	-64.6	0	0	0	112.6	I469 S470 A526	I469-H528 CarbonylContact O-C 3.6Å; I469-H528 WeakPolarHBondContact O-CA 3.14Å; S470-H528 PolarHBondContact OG-CE1 2.82Å; A526-H528 PolarHBondContact O-N 3.45Å
529	L	95.6	Very high	94.9	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.037	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	144.5	167.4	-57.5	177.4	0	0	0	110.3	R468 I469 L471 V480 L523 F539	R468-L529 CarbonylContact C-O 3.53Å; R468-L529 WeakPolarHBondContact CA-O 3.36Å; I469-L529 HydrophobicContact CD1-CB 3.98Å; I469-L529 HydrophobicContact CD1-CD1 4.27Å; I469-L529 HydrophobicContact CG1-CB 3.73Å; I469-L529 WeakPolarHBondContact CG1-O 3.37Å; I469-L529 PolarHBondContact N-O 3.06Å; I469-L529 PolarHBondContact O-N 3.4Å; L471-L529 HydrophobicContact CD1-CD1 3.91Å; L471-L529 HydrophobicContact CD1-CG 3.94Å; L471-L529 HydrophobicContact CD2-CD1 4.26Å; L471-L529 HydrophobicContact CG-CD1 4.42Å; L471-L529 HydrophobicContact CG-CG 4.36Å; V480-L529 HydrophobicContact CG1-CD1 4.32Å; V480-L529 HydrophobicContact CG2-CD1 4.32Å; V480-L529 HydrophobicContact CG2-CD2 4.35Å; L523-L529 HydrophobicContact CD1-CD2 4.41Å; L529-F539 HydrophobicContact CB-CD2 4.39Å; L529-F539 HydrophobicContact CB-CE2 3.94Å; L529-F539 HydrophobicContact CB-CZ 4.41Å; L529-F539 HydrophobicContact CD1-CB 4.24Å; L529-F539 HydrophobicContact CD1-CD2 3.54Å; L529-F539 HydrophobicContact CD1-CE2 3.94Å; L529-F539 HydrophobicContact CD1-CG 3.89Å
530	K	95.6	Very high	95.2	Very high	120 Å²	120	43.9 Å²	43.9	52%	0.522	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	127.2	-179.4	-174.1	-179.2	-179.1	-178.6	0	110.3	P466 L532	P466-K530 VanDerWaalsContact CB-CE 3.5Å; P466-K530 HydrophobicContact CB-CG 4.36Å; K530-L532 HydrophobicContact CD-CD2 4.23Å; K530-L532 HydrophobicContact CG-CD2 4.48Å
531	L	95.7	Very high	95.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	118.1	171.2	-44.7	-171.6	0	0	0	108.2	V434 L436 W459 N461 P466 V467 I469 F539	V434-L531 HydrophobicContact CG1-CD1 3.59Å; L436-L531 HydrophobicContact CD2-CD1 4.27Å; W459-L531 HydrophobicContact CB-CD1 4.47Å; W459-L531 HydrophobicContact CB-CD2 4.29Å; W459-L531 HydrophobicContact CD2-CD2 3.65Å; W459-L531 HydrophobicContact CE3-CB 3.89Å; W459-L531 HydrophobicContact CE3-CD1 4.18Å; W459-L531 HydrophobicContact CE3-CD2 3.74Å; W459-L531 HydrophobicContact CE3-CG 4.14Å; W459-L531 HydrophobicContact CG-CD2 3.91Å; W459-L531 HydrophobicContact CZ3-CB 3.82Å; W459-L531 HydrophobicContact CZ3-CD2 4.28Å; N461-L531 HydrophobicContact CB-CB 4.04Å; N461-L531 PolarHBondContact ND2-O 2.87Å; P466-L531 VanDerWaalsContact CA-O 3.25Å; P466-L531 WeakPolarHBondContact CA-O 3.37Å; V467-L531 HydrophobicContact CB-CB 4.41Å; V467-L531 PolarHBondContact N-O 3.27Å; V467-L531 PolarHBondContact O-N 3.35Å; I469-L531 HydrophobicContact CD1-CD2 4.15Å; I469-L531 HydrophobicContact CG1-CD2 4.33Å; I469-L531 HydrophobicContact CG2-CD1 3.83Å; I469-L531 HydrophobicContact CG2-CG 4.2Å; L531-F539 HydrophobicContact CD2-CE2 3.57Å; L531-F539 HydrophobicContact CD2-CZ 4.21Å
532	L	95	Very high	95.2	Very high	49 Å²	49	41 Å²	41	26%	0.257	22%	0.217	S	C	.	.	P	Polyproline II helix	trans	-70.4	154.1	-179.1	-60.3	179.7	0	0	0	110.9	N461 V484 K530 S535	N461-L532 WeakPolarHBondContact CB-O 3.42Å; N461-L532 PolarHBondContact ND2-O 3.15Å; V484-L532 HydrophobicContact CG1-CD1 4.18Å; K530-L532 HydrophobicContact CD-CD2 4.23Å; K530-L532 HydrophobicContact CG-CD2 4.48Å; L532-S535 VanDerWaalsContact C-OG 3.25Å; L532-S535 WeakPolarHBondContact CA-OG 3.47Å; L532-S535 WeakPolarHBondContact CB-OG 3.35Å; L532-S535 PolarHBondContact O-OG 3.26Å
533	P	94.9	Very high	95	Very high	39 Å²	39	37.9 Å²	37.9	25%	0.253	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	146.2	171.9	-19.8	29.7	0	0	0	111.5	S463 R464 S535	S463-P533 WeakPolarHBondContact O-CA 3.36Å; S463-P533 WeakPolarHBondContact O-CB 3.37Å; R464-P533 WeakPolarHBondContact O-CB 3.33Å; P533-S535 PolarHBondContact O-N 3.02Å; P533-S535 VanDerWaalsContact O-N 3.12Å
534	Y	96.3	Very high	95	Very high	14 Å²	14	35.5 Å²	35.5	6%	0.055	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.3	49.3	173.5	-63.9	-54.6	0	0	0	113.2	L312 F360 N461 L462 S463 R464 E492 L495	L312-Y534 HydrophobicContact CD1-CE1 4.04Å; L312-Y534 HydrophobicContact CD2-CD1 4.44Å; F360-Y534 WeakPolarHBondContact CE1-O 3.42Å; N461-Y534 VanDerWaalsContact O-CA 3.28Å; N461-Y534 WeakPolarHBondContact O-CA 3.4Å; N461-Y534 PolarHBondContact O-N 3.25Å; N461-Y534 VanDerWaalsContact O-N 3.08Å; L462-Y534 WeakPolarHBondContact O-CE1 3.47Å; S463-Y534 PolarHBondContact O-N 3.38Å; R464-Y534 HydrophobicContact CB-CE2 4.22Å; R464-Y534 HydrophobicContact CG-CE2 3.66Å; R464-Y534 WeakPolarHBondContact CG-OH 3.13Å; R464-Y534 PolarHBondContact NE-OH 3.42Å; E492-Y534 HydrophobicContact CB-CD2 4.45Å; E492-Y534 HydrophobicContact CB-CE2 3.92Å; E492-Y534 HydrophobicContact CG-CE2 4.47Å; L495-Y534 HydrophobicContact CD1-CD1 3.93Å; L495-Y534 HydrophobicContact CD1-CE1 4.16Å; L495-Y534 HydrophobicContact CD1-CG 4.2Å; L495-Y534 HydrophobicContact CD2-CD1 4.37Å; L495-Y534 HydrophobicContact CD2-CG 4.32Å
535	S	97.3	Very high	95.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	162.6	-178	68.3	0	0	0	0	110.5	W459 N461 L485 L532 P533	W459-S535 WeakPolarHBondContact CH2-OG 3.42Å; W459-S535 WeakPolarHBondContact CZ3-OG 3.1Å; N461-S535 PolarHBondContact N-O 2.81Å; N461-S535 PolarHBondContact O-N 2.85Å; L485-S535 WeakPolarHBondContact O-CB 3.27Å; L532-S535 VanDerWaalsContact C-OG 3.25Å; L532-S535 WeakPolarHBondContact CA-OG 3.47Å; L532-S535 WeakPolarHBondContact CB-OG 3.35Å; L532-S535 PolarHBondContact O-OG 3.26Å; P533-S535 PolarHBondContact O-N 3.02Å; P533-S535 VanDerWaalsContact O-N 3.12Å
536	L	98.3	Very high	95.3	Very high	1 Å²	1	34.9 Å²	34.9	1%	0.005	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	161	-180	57.2	85.1	0	0	0	108.9	F360 G363 F364 L367 L407 W459 M460 L485	F360-L536 HydrophobicContact CZ-CG 4.29Å; G363-L536 VanDerWaalsContact C-CD2 3.45Å; F364-L536 HydrophobicContact CD1-CD2 3.95Å; F364-L536 HydrophobicContact CE1-CB 4.27Å; F364-L536 HydrophobicContact CE1-CD2 4.06Å; F364-L536 HydrophobicContact CG-CD2 4.28Å; F364-L536 HydrophobicContact CZ-CD2 4.45Å; L367-L536 HydrophobicContact CD2-CB 4.05Å; L367-L536 HydrophobicContact CD2-CD1 4Å; L367-L536 HydrophobicContact CD2-CG 4.48Å; L407-L536 HydrophobicContact CD1-CD1 3.68Å; L407-L536 HydrophobicContact CD2-CD1 4.34Å; W459-L536 CarbonylContact O-C 3.59Å; W459-L536 VanDerWaalsContact O-CA 3.3Å; W459-L536 WeakPolarHBondContact O-CA 3.34Å; M460-L536 HydrophobicContact CB-CB 4.28Å; M460-L536 HydrophobicContact CG-CB 3.66Å; L485-L536 WeakPolarHBondContact CA-O 3.48Å; L485-L536 HydrophobicContact CB-CD1 3.86Å; L485-L536 WeakPolarHBondContact CB-O 3.48Å; L485-L536 HydrophobicContact CD1-CD1 3.72Å; L485-L536 HydrophobicContact CG-CD1 4.33Å; L485-L536 PolarHBondContact N-O 3.03Å; L485-L536 PolarHBondContact O-N 2.95Å
537	G	98.3	Very high	95.5	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171.3	-162.9	-178.4	0	0	0	0	0	114.4	W459 F483	W459-G537 PolarHBondContact N-O 3.02Å; W459-G537 PolarHBondContact O-N 2.79Å; F483-G537 CarbonylContact O-C 3.56Å; F483-G537 WeakPolarHBondContact O-CA 3.33Å
538	F	98.6	Very high	95.6	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	138.8	-175.7	-49.5	-92.7	0	0	0	109.4	L367 L407 L410 Y411 L414 V415 V456 L457 I458 F483	L367-F538 HydrophobicContact CD1-CE1 4.11Å; L367-F538 HydrophobicContact CD1-CZ 3.97Å; L407-F538 HydrophobicContact CD1-CE2 4.09Å; L407-F538 HydrophobicContact CD1-CZ 3.97Å; L410-F538 HydrophobicContact CB-CD2 4.22Å; L410-F538 HydrophobicContact CB-CE2 3.72Å; L410-F538 HydrophobicContact CB-CZ 4.42Å; Y411-F538 HydrophobicContact CD2-CE1 4.14Å; Y411-F538 HydrophobicContact CD2-CZ 4.46Å; L414-F538 HydrophobicContact CD1-CB 3.71Å; L414-F538 HydrophobicContact CD1-CD1 4.45Å; L414-F538 HydrophobicContact CD1-CD2 3.89Å; L414-F538 HydrophobicContact CD1-CG 3.76Å; V415-F538 HydrophobicContact CG2-CD1 4.03Å; V415-F538 HydrophobicContact CG2-CE1 3.82Å; V456-F538 HydrophobicContact CG1-CB 4.03Å; V456-F538 HydrophobicContact CG1-CD1 4.06Å; L457-F538 CarbonylContact O-C 3.59Å; L457-F538 WeakPolarHBondContact O-CA 3.49Å; I458-F538 HydrophobicContact CB-CD1 4.47Å; I458-F538 HydrophobicContact CD1-CE1 4.47Å; I458-F538 HydrophobicContact CG1-CD1 3.94Å; I458-F538 HydrophobicContact CG1-CE1 4.01Å; I458-F538 HydrophobicContact CG2-CD1 4.44Å; I458-F538 HydrophobicContact CG2-CE1 4.16Å; F483-F538 HydrophobicContact CB-CB 4.18Å; F483-F538 HydrophobicContact CB-CD2 4.24Å; F483-F538 PolarHBondContact N-O 3.24Å; F483-F538 PolarHBondContact O-N 3.24Å
539	F	98	Very high	95.7	Very high	3 Å²	3	29.1 Å²	29.1	1%	0.013	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	118.6	165.2	-65.5	-46	0	0	0	108.3	V456 L457 W459 I469 V480 A482 V484 L529 L531 M541	V456-F539 WeakPolarHBondContact CA-O 3.3Å; L457-F539 HydrophobicContact CB-CB 4.39Å; L457-F539 HydrophobicContact CD2-CD2 4.31Å; L457-F539 PolarHBondContact N-O 3.48Å; L457-F539 PolarHBondContact O-N 3.4Å; W459-F539 AromaticContact CD1-CD2 3.49Å; W459-F539 VanDerWaalsContact CD1-CD2 3.49Å; W459-F539 AromaticContact CD1-CE2 3.59Å; W459-F539 HydrophobicContact CD2-CE2 4.37Å; W459-F539 AromaticContact CE2-CE2 3.85Å; W459-F539 AromaticContact CE2-CZ 3.77Å; W459-F539 HydrophobicContact CG-CD2 4.38Å; W459-F539 HydrophobicContact CG-CE2 4.21Å; W459-F539 HydrophobicContact CZ2-CE1 4.49Å; W459-F539 HydrophobicContact CZ2-CE2 4.48Å; W459-F539 AromaticContact CZ2-CZ 3.99Å; W459-F539 HydrophobicContact CZ2-CZ 3.99Å; W459-F539 AromaticContact NE1-CD1 3.97Å; W459-F539 AromaticContact NE1-CD2 3.52Å; W459-F539 AromaticContact NE1-CE1 3.77Å; W459-F539 AromaticContact NE1-CE2 3.32Å; W459-F539 VanDerWaalsContact NE1-CE2 3.32Å; W459-F539 AromaticContact NE1-CG 3.85Å; W459-F539 AromaticContact NE1-CZ 3.44Å; I469-F539 HydrophobicContact CD1-CD2 4.47Å; I469-F539 HydrophobicContact CD1-CE2 4.46Å; V480-F539 HydrophobicContact CG1-CB 3.76Å; V480-F539 HydrophobicContact CG1-CD1 3.9Å; V480-F539 HydrophobicContact CG1-CG 4.07Å; A482-F539 HydrophobicContact CB-CD1 3.72Å; A482-F539 HydrophobicContact CB-CE1 3.68Å; V484-F539 HydrophobicContact CG2-CE1 4.44Å; L529-F539 HydrophobicContact CB-CD2 4.39Å; L529-F539 HydrophobicContact CB-CE2 3.94Å; L529-F539 HydrophobicContact CB-CZ 4.41Å; L529-F539 HydrophobicContact CD1-CB 4.24Å; L529-F539 HydrophobicContact CD1-CD2 3.54Å; L529-F539 HydrophobicContact CD1-CE2 3.94Å; L529-F539 HydrophobicContact CD1-CG 3.89Å; L531-F539 HydrophobicContact CD2-CE2 3.57Å; L531-F539 HydrophobicContact CD2-CZ 4.21Å; F539-M541 VanDerWaalsContact O-CE 3.27Å; F539-M541 WeakPolarHBondContact O-CE 3.45Å
540	V	96.8	Very high	95.3	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	111.4	174.1	-170.1	0	0	0	0	108.4	L414 A441 Y450 V455 V456 V480 D481 F483 M542	L414-V540 HydrophobicContact CD2-CG2 4.18Å; A441-V540 HydrophobicContact CB-CG1 4.31Å; Y450-V540 HydrophobicContact CD1-CG1 3.69Å; Y450-V540 HydrophobicContact CD2-CG1 3.94Å; Y450-V540 HydrophobicContact CE1-CB 4.06Å; Y450-V540 HydrophobicContact CE1-CG1 3.69Å; Y450-V540 HydrophobicContact CE1-CG2 4.39Å; Y450-V540 HydrophobicContact CE2-CB 4.38Å; Y450-V540 HydrophobicContact CE2-CG1 3.92Å; Y450-V540 HydrophobicContact CE2-CG2 3.97Å; Y450-V540 HydrophobicContact CG-CG1 3.82Å; V455-V540 CarbonylContact O-C 3.6Å; V455-V540 WeakPolarHBondContact O-CA 3.28Å; V456-V540 HydrophobicContact CG1-CG2 4.44Å; V456-V540 HydrophobicContact CG2-CB 4.28Å; V456-V540 HydrophobicContact CG2-CG1 3.98Å; V456-V540 HydrophobicContact CG2-CG2 3.85Å; V480-V540 CarbonylContact C-O 3.57Å; V480-V540 WeakPolarHBondContact CA-O 3.5Å; D481-V540 HydrophobicContact CB-CB 4.15Å; D481-V540 PolarHBondContact N-O 3.4Å; D481-V540 PolarHBondContact O-N 3.12Å; F483-V540 HydrophobicContact CD2-CG2 4.28Å; F483-V540 HydrophobicContact CE2-CG2 3.92Å; V540-M542 HydrophobicContact CG1-CG 4.34Å; V540-M542 PolarHBondContact O-N 2.86Å
541	M	96.1	Very high	95.2	Very high	0 Å²	0	29.2 Å²	29.2	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	96.4	173.7	-67.3	139.3	-79.1	0	0	107.7	M43 L438 A454 V455 L457 V475 S478 V480 F539 D543 A544	M43-M541 HydrophobicContact CE-CE 4.23Å; M43-M541 HydrophobicContact CE-SD 3.86Å; L438-M541 HydrophobicContact CD1-CE 4.4Å; A454-M541 WeakPolarHBondContact CA-O 3.42Å; V455-M541 HydrophobicContact CG2-CB 3.94Å; V455-M541 HydrophobicContact CG2-CE 3.77Å; V455-M541 HydrophobicContact CG2-SD 3.99Å; V455-M541 PolarHBondContact N-O 3.18Å; V455-M541 PolarHBondContact O-N 3.39Å; L457-M541 HydrophobicContact CB-CE 3.42Å; L457-M541 VanDerWaalsContact CB-CE 3.42Å; V475-M541 HydrophobicContact CG1-CB 4.12Å; V475-M541 HydrophobicContact CG1-CG 3.74Å; V475-M541 HydrophobicContact CG1-SD 3.4Å; V475-M541 WeakPolarHBondContact CG1-SD 3.24Å; S478-M541 VanDerWaalsContact OG-C 3.26Å; S478-M541 WeakPolarHBondContact OG-CA 3.14Å; V480-M541 HydrophobicContact CG2-CG 4.11Å; F539-M541 VanDerWaalsContact O-CE 3.27Å; F539-M541 WeakPolarHBondContact O-CE 3.45Å; M541-D543 PolarHBondContact O-N 3.21Å; M541-A544 HydrophobicContact CB-CB 4.03Å
542	M	92.1	Very high	95.2	Very high	29 Å²	29	30.7 Å²	30.7	14%	0.143	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-34.9	-168.8	-61.6	-172.8	-74.9	0	0	112.6	Y450 P451 S478 T479 D481 V540	Y450-M542 HydrophobicContact CD1-CG 3.81Å; Y450-M542 HydrophobicContact CD1-SD 4.01Å; Y450-M542 HydrophobicContact CE1-CG 4Å; Y450-M542 HydrophobicContact CE1-SD 3.9Å; P451-M542 VanDerWaalsContact CG-O 3.26Å; P451-M542 WeakPolarHBondContact CG-O 3.26Å; S478-M542 PolarHBondContact OG-N 3.15Å; S478-M542 VanDerWaalsContact OG-N 3.14Å; T479-M542 HydrophobicContact CG2-CE 3.39Å; T479-M542 PolarHBondContact O-N 3.18Å; T479-M542 VanDerWaalsContact O-N 3.12Å; D481-M542 HydrophobicContact CB-CE 4.44Å; D481-M542 HydrophobicContact CB-SD 4.22Å; V540-M542 HydrophobicContact CG1-CG 4.34Å; V540-M542 PolarHBondContact O-N 2.86Å
543	D	92.2	Very high	95.2	Very high	74 Å²	74	29.7 Å²	29.7	40%	0.396	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	21.9	-173.6	-46.6	-63.9	0	0	0	111.9	S478 T479 M541 Q545	S478-D543 PolarHBondContact OG-N 3.29Å; T479-D543 WeakPolarHBondContact CB-OD2 3.41Å; T479-D543 PolarHBondContact N-OD2 2.97Å; T479-D543 PolarHBondContact OG1-OD2 3.42Å; M541-D543 PolarHBondContact O-N 3.21Å; D543-Q545 PolarHBondContact O-N 3.35Å
544	A	93.4	Very high	95.2	Very high	9 Å²	9	29.1 Å²	29.1	7%	0.074	17%	0.168	C	C	.	.			trans	-64.7	-18.9	-178.2	0	0	0	0	0	113.8	V455 M541 A546	V455-A544 HydrophobicContact CG1-CB 4.44Å; V455-A544 HydrophobicContact CG2-CB 3.69Å; M541-A544 HydrophobicContact CB-CB 4.03Å; A544-A546 PolarHBondContact O-N 3.19Å
545	Q	93.6	Very high	95.2	Very high	155 Å²	155	30.1 Å²	30.1	72%	0.724	18%	0.176	S	C	*	.			trans	49.2	34.8	178.3	-63.1	177.3	24.1	0	0	113.4	G453 D543 P547	G453-Q545 PolarHBondContact O-N 2.85Å; D543-Q545 PolarHBondContact O-N 3.35Å; Q545-P547 WeakPolarHBondContact O-CD 3.34Å
546	A	95.5	Very high	95	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	19%	0.187	C	C	.	.			trans	-64	117.1	-176.9	0	0	0	0	0	110.5	L45 G453 V455 A544 A548 C549 S550	L45-A546 HydrophobicContact CB-CB 3.83Å; L45-A546 HydrophobicContact CD1-CB 4.34Å; L45-A546 HydrophobicContact CD2-CB 4.29Å; L45-A546 HydrophobicContact CG-CB 4.38Å; G453-A546 WeakPolarHBondContact CA-O 3.47Å; G453-A546 WeakPolarHBondContact O-CB 3.21Å; G453-A546 PolarHBondContact O-N 2.95Å; V455-A546 HydrophobicContact CG1-CB 3.56Å; A544-A546 PolarHBondContact O-N 3.19Å; A546-A548 PolarHBondContact O-N 2.9Å; A546-C549 HydrophobicContact CB-CB 4.07Å; A546-C549 PolarHBondContact O-N 3.25Å; A546-S550 PolarHBondContact O-N 2.93Å; A546-S550 PolarHBondContact O-OG 2.68Å
547	P	95.8	Very high	94.8	Very high	81 Å²	81	34.3 Å²	34.3	53%	0.526	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-59.2	-33.5	179.1	-27.9	37.7	0	0	0	112.9	L45 L46 Q545 C549 S550	L45-P547 VanDerWaalsContact O-CD 3.31Å; L45-P547 WeakPolarHBondContact O-CD 3.17Å; L46-P547 HydrophobicContact CD2-CG 3.99Å; Q545-P547 WeakPolarHBondContact O-CD 3.34Å; P547-C549 PolarHBondContact O-N 2.87Å; P547-C549 VanDerWaalsContact O-N 3.16Å; P547-S550 PolarHBondContact O-N 3.33Å
548	A	95.9	Very high	94.5	Very high	21 Å²	21	36.9 Å²	36.9	17%	0.174	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-63.2	-17.3	176	0	0	0	0	0	114.1	L45 V48 L420 A546	L45-A548 WeakPolarHBondContact O-CB 3.35Å; L45-A548 PolarHBondContact O-N 3.16Å; V48-A548 HydrophobicContact CG2-CB 3.99Å; L420-A548 HydrophobicContact CD2-CB 3.82Å; A546-A548 PolarHBondContact O-N 2.9Å
549	C	94.6	Very high	94.2	Very high	9 Å²	9	40 Å²	40	6%	0.061	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-115.9	6.8	-173.4	-53.8	0	0	0	0	114	C440 G453 A546 P547	C440-C549 WeakPolarHBondContact CA-SG 3.4Å; C440-C549 HydrophobicContact CB-CB 3.63Å; C440-C549 WeakPolarHBondContact CB-SG 3.34Å; C440-C549 WeakPolarHBondContact SG-CA 3.25Å; C440-C549 WeakPolarHBondContact SG-CB 3.44Å; C440-C549 CovalentContact SG-SG 2.02Å; C440-C549 PolarHBondContact SG-SG 2.87Å; G453-C549 PolarHBondContact N-O 3.47Å; A546-C549 HydrophobicContact CB-CB 4.07Å; A546-C549 PolarHBondContact O-N 3.25Å; P547-C549 PolarHBondContact O-N 2.87Å; P547-C549 VanDerWaalsContact O-N 3.16Å
550	S	86.4	Confident	93.9	Very high	99 Å²	99	43.4 Å²	43.4	69%	0.692	25%	0.254	S	S	*	.			trans	-89.4	0	-173.7	-65.1	0	0	0	0	113.4	R443 A546 P547	R443-S550 VanDerWaalsContact NH1-C 3.29Å; R443-S550 PolarHBondContact NH1-OXT 2.72Å; R443-S550 PolarHBondContact NH2-OXT 2.93Å; A546-S550 PolarHBondContact O-N 2.93Å; A546-S550 PolarHBondContact O-OG 2.68Å; P547-S550 PolarHBondContact O-N 3.33Å

Retrieved 550 of 550 residues in 1432.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).