A0A087Y1Z7_POEFO Loading...

Ketohexokinase

Catalyzes the phosphorylation of the ketose sugar fructose to fructose-1-phosphate.

AlphaFold DB , UniProt , Accession A0A087Y1Z7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 321 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.2	Very low	40.8	Very low	246 Å²	246	154 Å²	154	100%	1.212	80%	0.802	S	S	*	*				0	108.4	0	-81.2	174	174	0	0	107.5
2	M	32.5	Very low	41.5	Very low	199 Å²	199	148.3 Å²	148.3	98%	0.98	80%	0.795	S	S	*	*			trans	-80.9	128.5	-178	-88	174.3	163.2	0	0	110.7
3	T	39.1	Very low	41.7	Very low	136 Å²	136	142.5 Å²	142.5	83%	0.834	78%	0.78	S	S	*	*			trans	-80.4	113.7	173.8	-17.2	0	0	0	0	109.2	V5	T3-V5 PolarHBondContact O-N 3.37Å
4	C	33.3	Very low	41.8	Very low	118 Å²	118	139.6 Å²	139.6	80%	0.797	76%	0.758	S	S	*	*			trans	-86.6	105.9	177.5	-166.8	0	0	0	0	109.6	R6	C4-R6 PolarHBondContact O-N 3.47Å
5	V	39.8	Very low	41.8	Very low	122 Å²	122	134.9 Å²	134.9	74%	0.739	74%	0.736	S	S	*	*			trans	-78.6	106.5	170.7	178.5	0	0	0	0	108	T3 V7	T3-V5 PolarHBondContact O-N 3.37Å; V5-V7 HydrophobicContact CG1-CG2 4.38Å; V5-V7 PolarHBondContact O-N 3.17Å; V5-V7 VanDerWaalsContact O-N 3.17Å
6	R	34.8	Very low	41.5	Very low	234 Å²	234	131 Å²	131	88%	0.883	72%	0.722	S	S	*	*			trans	-75.7	98	169.3	-84.8	-177.5	173.2	176.3	-2	109.3	C4 K8	C4-R6 PolarHBondContact O-N 3.47Å; R6-K8 PolarHBondContact O-N 3.17Å
7	V	39.8	Very low	41.5	Very low	121 Å²	121	126.2 Å²	126.2	73%	0.733	70%	0.703	S	S	*	*			trans	-69.8	111.9	161.1	-179.7	0	0	0	0	107.1	V5 V9	V5-V7 HydrophobicContact CG1-CG2 4.38Å; V5-V7 PolarHBondContact O-N 3.17Å; V5-V7 VanDerWaalsContact O-N 3.17Å; V7-V9 PolarHBondContact O-N 3.31Å
8	K	43.6	Very low	41.6	Very low	197 Å²	197	128.2 Å²	128.2	86%	0.857	70%	0.698	S	S	*	*			trans	-66.2	111.6	171.2	-84.7	-177.7	174.7	-179.4	0	108.2	R6 Q10	R6-K8 PolarHBondContact O-N 3.17Å; K8-Q10 PolarHBondContact O-N 3.23Å
9	V	44	Very low	41.3	Very low	131 Å²	131	125.7 Å²	125.7	79%	0.794	69%	0.688	S	S	*	*			trans	-71.3	107.6	167.2	-180	0	0	0	0	107	V7	V7-V9 PolarHBondContact O-N 3.31Å
10	Q	50.6	Low	41.6	Very low	115 Å²	115	125 Å²	125	54%	0.537	68%	0.683	S	S	.	*			trans	-69.9	137.6	169	-83.8	174.7	-26.4	0	0	109.1	K8	K8-Q10 PolarHBondContact O-N 3.23Å
11	T	52.5	Low	41.8	Very low	75 Å²	75	124.9 Å²	124.9	46%	0.46	68%	0.679	S	S	.	*			trans	-80	146.7	-177.1	61.2	0	0	0	0	110.7	A13 E14 T15	T11-A13 PolarHBondContact O-N 3.09Å; T11-E14 PolarHBondContact N-OE2 2.98Å; T11-E14 VanDerWaalsContact N-OE2 3.16Å; T11-E14 PolarHBondContact O-N 3.09Å; T11-E14 WeakPolarHBondContact OG1-CG 3.34Å; T11-E14 PolarHBondContact OG1-OE2 2.89Å; T11-T15 PolarHBondContact O-N 3.06Å; T11-T15 VanDerWaalsContact O-N 3.09Å; T11-T15 PolarHBondContact O-OG1 3.16Å; T11-T15 VanDerWaalsContact O-OG1 3.09Å
12	A	48.7	Very low	42.3	Very low	86 Å²	86	117.1 Å²	117.1	71%	0.711	65%	0.654	S	S	*	*	H	α-helix	trans	-57	-24.8	-179.9	0	0	0	0	0	113.7	S16	A12-S16 WeakPolarHBondContact O-CB 3.17Å; A12-S16 PolarHBondContact O-N 2.89Å
13	A	44.6	Very low	43.7	Very low	73 Å²	73	114.3 Å²	114.3	60%	0.603	64%	0.643	S	S	*	*	H	α-helix	trans	-72.5	-39.5	174.2	0	0	0	0	0	112.8	T11 S16 A17	T11-A13 PolarHBondContact O-N 3.09Å; A13-S16 PolarHBondContact O-N 3.26Å; A13-A17 WeakPolarHBondContact O-CB 3.25Å; A13-A17 PolarHBondContact O-N 3.48Å
14	E	42.2	Very low	45.9	Very low	102 Å²	102	113 Å²	113	48%	0.477	63%	0.627	S	S	.	*	H	α-helix	trans	-69.8	-35.1	173.9	-70.2	168.7	142.1	0	0	111.5	T11 R18	T11-E14 PolarHBondContact N-OE2 2.98Å; T11-E14 VanDerWaalsContact N-OE2 3.16Å; T11-E14 PolarHBondContact O-N 3.09Å; T11-E14 WeakPolarHBondContact OG1-CG 3.34Å; T11-E14 PolarHBondContact OG1-OE2 2.89Å; E14-R18 WeakPolarHBondContact O-CB 3.39Å; E14-R18 VanDerWaalsContact O-CG 3.26Å; E14-R18 WeakPolarHBondContact O-CG 3.46Å; E14-R18 PolarHBondContact O-N 2.6Å; E14-R18 VanDerWaalsContact O-N 3.12Å
15	T	42.8	Very low	48.8	Very low	68 Å²	68	111 Å²	111	42%	0.417	61%	0.605	S	S	.	*	H	α-helix	trans	-67.4	-47.8	173.1	-35.9	0	0	0	0	110.3	T11 A17 R18 T19	T11-T15 PolarHBondContact O-N 3.06Å; T11-T15 VanDerWaalsContact O-N 3.09Å; T11-T15 PolarHBondContact O-OG1 3.16Å; T11-T15 VanDerWaalsContact O-OG1 3.09Å; T15-A17 PolarHBondContact O-N 3.4Å; T15-R18 PolarHBondContact O-N 3.13Å; T15-T19 PolarHBondContact O-N 3.02Å; T15-T19 PolarHBondContact O-OG1 3.09Å
16	S	36.5	Very low	51.6	Low	73 Å²	73	106.9 Å²	106.9	51%	0.51	58%	0.577	S	S	.	*	H	α-helix	trans	-60.5	-44	177.3	174.1	0	0	0	0	113.1	A12 A13 R18 T19 N20	A12-S16 WeakPolarHBondContact O-CB 3.17Å; A12-S16 PolarHBondContact O-N 2.89Å; A13-S16 PolarHBondContact O-N 3.26Å; S16-R18 PolarHBondContact O-N 2.91Å; S16-T19 PolarHBondContact O-N 3.28Å; S16-N20 PolarHBondContact O-N 3.02Å
17	A	42.3	Very low	54.7	Low	50 Å²	50	95.7 Å²	95.7	41%	0.413	54%	0.535	S	S	.	.	H	α-helix	trans	-65.5	-36.6	176.2	0	0	0	0	0	112.8	A13 T15 M21	A13-A17 WeakPolarHBondContact O-CB 3.25Å; A13-A17 PolarHBondContact O-N 3.48Å; T15-A17 PolarHBondContact O-N 3.4Å; A17-M21 PolarHBondContact O-N 3.48Å
18	R	43	Very low	57.5	Low	161 Å²	161	90 Å²	90	61%	0.608	50%	0.501	S	S	*	.	H	α-helix	trans	-69.6	-33.4	172.8	-76.9	177.3	179.8	-157.9	-3	113.1	E14 T15 S16 A22	E14-R18 WeakPolarHBondContact O-CB 3.39Å; E14-R18 VanDerWaalsContact O-CG 3.26Å; E14-R18 WeakPolarHBondContact O-CG 3.46Å; E14-R18 PolarHBondContact O-N 2.6Å; E14-R18 VanDerWaalsContact O-N 3.12Å; T15-R18 PolarHBondContact O-N 3.13Å; S16-R18 PolarHBondContact O-N 2.91Å; R18-A22 PolarHBondContact O-N 3.48Å
19	T	36.6	Very low	60.1	Low	81 Å²	81	80.6 Å²	80.6	50%	0.497	46%	0.46	S	S	.	.	H	α-helix	trans	-71.6	-37.3	176.9	-29	0	0	0	0	110.5	T15 S16 A22	T15-T19 PolarHBondContact O-N 3.02Å; T15-T19 PolarHBondContact O-OG1 3.09Å; S16-T19 PolarHBondContact O-N 3.28Å; T19-A22 PolarHBondContact O-N 3.12Å
20	N	46.1	Very low	62.7	Low	112 Å²	112	74.4 Å²	74.4	60%	0.599	42%	0.423	S	S	*	.	H	α-helix	trans	-71.5	-29.9	177.8	-127.4	5.9	0	0	0	113.6	S16	S16-N20 PolarHBondContact O-N 3.02Å
21	M	46.7	Very low	65	Low	122 Å²	122	69.4 Å²	69.4	60%	0.601	40%	0.401	S	S	*	.	H	α-helix	trans	-75.8	-28.6	173.8	-89.1	-172.9	-90.3	0	0	113.2	A17 D23	A17-M21 PolarHBondContact O-N 3.48Å; M21-D23 VanDerWaalsContact C-N 3.31Å; M21-D23 PolarHBondContact O-N 2.96Å
22	A	49.5	Very low	67.2	Low	83 Å²	83	66.7 Å²	66.7	69%	0.686	38%	0.384	S	S	*	.	H	α-helix	trans	-71	-25.6	179.8	0	0	0	0	0	113.2	R18 T19	R18-A22 PolarHBondContact O-N 3.48Å; T19-A22 PolarHBondContact O-N 3.12Å
23	D	62.3	Low	69.5	Low	141 Å²	141	62.6 Å²	62.6	75%	0.754	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-4.1	179.3	-78.6	-20.4	0	0	0	113.9	M21 K25	M21-D23 VanDerWaalsContact C-N 3.31Å; M21-D23 PolarHBondContact O-N 2.96Å; D23-K25 PolarHBondContact O-N 3.24Å
24	Q	84.3	Confident	72	Confident	107 Å²	107	59.3 Å²	59.3	50%	0.5	32%	0.323	S	S	.	.	S	Bend	trans	-82.7	119.9	177.5	-81.9	-171	-4.4	0	0	111.7	K26 P77	Q24-K26 PolarHBondContact O-N 3.18Å; Q24-P77 HydrophobicContact CB-CG 4.14Å
25	K	95.1	Very high	74.6	Confident	77 Å²	77	54.7 Å²	54.7	34%	0.335	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-60	136.2	170.7	-72.3	-172.7	169	-148.7	0	111.3	D23 A152 Q153 K155	D23-K25 PolarHBondContact O-N 3.24Å; K25-A152 WeakPolarHBondContact CE-O 3.33Å; K25-A152 PolarHBondContact NZ-O 3.24Å; K25-Q153 CarbonylContact C-O 3.52Å; K25-Q153 VanDerWaalsContact CA-O 3.28Å; K25-Q153 WeakPolarHBondContact CA-O 3.34Å; K25-K155 HydrophobicContact CB-CB 3.72Å; K25-K155 HydrophobicContact CB-CD 4.47Å; K25-K155 HydrophobicContact CB-CG 4.02Å; K25-K155 HydrophobicContact CD-CB 4.11Å
26	K	98.1	Very high	77.2	Confident	35 Å²	35	51.8 Å²	51.8	15%	0.152	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	163.4	-176.3	-68	171.9	-74	-171.8	0	112.5	Q24 P77 D103 Q153 F154 K155	Q24-K26 PolarHBondContact O-N 3.18Å; K26-P77 CarbonylContact C-O 3.58Å; K26-P77 VanDerWaalsContact CA-O 3.27Å; K26-P77 WeakPolarHBondContact CA-O 3.26Å; K26-P77 HydrophobicContact CG-CB 3.86Å; K26-D103 HydrophobicContact CD-CB 4.39Å; K26-D103 IonicContact NZ-OD2 2.65Å; K26-D103 PolarHBondContact NZ-OD2 3.48Å; K26-Q153 PolarHBondContact N-O 3.42Å; K26-F154 HydrophobicContact CB-CD1 3.72Å; K26-F154 HydrophobicContact CB-CE1 3.91Å; K26-F154 VanDerWaalsContact O-CA 3.31Å; K26-F154 WeakPolarHBondContact O-CA 3.37Å; K26-K155 PolarHBondContact O-N 3.3Å
27	I	98.8	Very high	80.1	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	120.5	162.9	-58	171.1	0	0	0	108.1	L71 A76 P77 C78 A79 W156 S290	I27-L71 HydrophobicContact CB-CD1 4.08Å; I27-L71 HydrophobicContact CD1-CD1 4.31Å; I27-L71 HydrophobicContact CD1-CD2 3.85Å; I27-L71 HydrophobicContact CG2-CD1 3.67Å; I27-A76 HydrophobicContact CD1-CB 4.24Å; I27-P77 PolarHBondContact N-O 3.24Å; I27-C78 CarbonylContact O-C 3.56Å; I27-C78 WeakPolarHBondContact O-CA 3.4Å; I27-C78 WeakPolarHBondContact O-CB 3.12Å; I27-A79 PolarHBondContact O-N 3.23Å; I27-W156 WeakPolarHBondContact CA-O 3.28Å; I27-W156 HydrophobicContact CG1-CB 4.13Å; I27-W156 HydrophobicContact CG2-CB 4.2Å; I27-S290 WeakPolarHBondContact CD1-OG 3.14Å
28	L	98.9	Very high	82.6	Confident	0 Å²	0	48 Å²	48	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.3	175.8	178.8	65.4	0	0	0	110	V30 A79 M81 F146 I149 F154 W156 I157 H158	L28-V30 HydrophobicContact CD2-CG2 3.97Å; L28-V30 HydrophobicContact CG-CG2 3.98Å; L28-A79 WeakPolarHBondContact CA-O 3.18Å; L28-A79 HydrophobicContact CD1-CB 3.71Å; L28-M81 HydrophobicContact CD1-CB 3.94Å; L28-F146 HydrophobicContact CD2-CE2 4.15Å; L28-I149 HydrophobicContact CD2-CD1 3.65Å; L28-F154 HydrophobicContact CB-CD1 3.69Å; L28-F154 HydrophobicContact CB-CE1 3.79Å; L28-F154 HydrophobicContact CB-CG 4.16Å; L28-F154 HydrophobicContact CB-CZ 4.32Å; L28-F154 HydrophobicContact CD1-CE1 4.28Å; L28-F154 HydrophobicContact CD1-CZ 4.31Å; L28-F154 HydrophobicContact CD2-CE2 4.24Å; L28-F154 HydrophobicContact CD2-CZ 4.26Å; L28-F154 HydrophobicContact CG-CE1 4.44Å; L28-W156 PolarHBondContact N-O 3.48Å; L28-I157 HydrophobicContact CB-CB 4.44Å; L28-I157 HydrophobicContact CB-CG1 4.07Å; L28-I157 HydrophobicContact CB-CG2 4.07Å; L28-I157 HydrophobicContact CD2-CD1 4.31Å; L28-I157 HydrophobicContact CD2-CG1 4.39Å; L28-I157 HydrophobicContact CD2-CG2 3.95Å; L28-I157 HydrophobicContact CG-CG2 4.14Å; L28-I157 CarbonylContact O-C 3.47Å; L28-I157 WeakPolarHBondContact O-CA 3.12Å; L28-H158 PolarHBondContact O-N 3.49Å
29	C	98.9	Very high	85.2	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122	167.7	-57.8	0	0	0	0	109.4	A64 C68 A79 M81 H158	C29-A64 HydrophobicContact CB-CB 3.93Å; C29-C68 VanDerWaalsContact CB-SG 3.55Å; C29-A79 PolarHBondContact N-O 3.29Å; C29-M81 PolarHBondContact O-N 3.01Å; C29-H158 CarbonylContact C-O 3.57Å; C29-H158 WeakPolarHBondContact CA-O 3.33Å
30	V	98.9	Very high	87.8	Confident	2 Å²	2	38 Å²	38	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	120.9	179.5	-172.7	0	0	0	0	108.5	L28 M81 F146 I157 H158 W159 E160 M170	L28-V30 HydrophobicContact CD2-CG2 3.97Å; L28-V30 HydrophobicContact CG-CG2 3.98Å; V30-M81 CarbonylContact C-O 3.47Å; V30-M81 VanDerWaalsContact CA-O 3.3Å; V30-M81 WeakPolarHBondContact CA-O 3.34Å; V30-M81 HydrophobicContact CG1-CB 4.49Å; V30-M81 HydrophobicContact CG1-CG 4.35Å; V30-M81 HydrophobicContact CG2-CB 4.26Å; V30-F146 HydrophobicContact CG2-CE2 4.27Å; V30-I157 HydrophobicContact CG2-CG2 3.95Å; V30-H158 PolarHBondContact N-O 3.49Å; V30-W159 HydrophobicContact CB-CG 4.18Å; V30-E160 PolarHBondContact O-N 2.65Å; V30-M170 HydrophobicContact CG1-SD 4.47Å
31	G	98.3	Very high	90	Very high	9 Å²	9	33.1 Å²	33.1	9%	0.093	18%	0.182	C	C	.	.	S	Bend	trans	164.3	-147.5	-179.3	0	0	0	0	0	114.2	M81 G82	G31-M81 PolarHBondContact N-O 3.15Å; G31-G82 WeakPolarHBondContact O-CA 3.29Å
32	L	97.8	Very high	92.1	Very high	18 Å²	18	34.5 Å²	34.5	9%	0.094	19%	0.187	C	C	.	.			trans	-86.2	145.3	-174.1	-175.3	65.5	0	0	0	112	G62 S65 P116 L133 D135 E160	L32-G62 CarbonylContact O-C 3.53Å; L32-S65 VanDerWaalsContact O-CB 3.3Å; L32-S65 WeakPolarHBondContact O-CB 3.25Å; L32-S65 PolarHBondContact O-N 2.85Å; L32-P116 HydrophobicContact CD1-CB 4.15Å; L32-P116 HydrophobicContact CD1-CG 3.83Å; L32-L133 HydrophobicContact CD2-CD2 4.22Å; L32-D135 HydrophobicContact CD1-CB 4.4Å; L32-E160 WeakPolarHBondContact CB-OE1 3.33Å; L32-E160 WeakPolarHBondContact CB-OE2 3.41Å; L32-E160 PolarHBondContact N-OE2 2.82Å
33	V	98.1	Very high	94.2	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.188	C	C	.	.			trans	-127.5	140.8	156.7	61.4	0	0	0	0	108.7	R60 S65 F80 L84 I93 F97	V33-R60 HydrophobicContact CG2-CG 3.73Å; V33-S65 WeakPolarHBondContact CG2-OG 3.3Å; V33-F80 HydrophobicContact CB-CE1 3.86Å; V33-F80 HydrophobicContact CB-CE2 4.17Å; V33-F80 HydrophobicContact CB-CZ 3.48Å; V33-F80 VanDerWaalsContact CB-CZ 3.48Å; V33-F80 HydrophobicContact CG1-CE1 3.6Å; V33-F80 HydrophobicContact CG1-CZ 3.6Å; V33-L84 HydrophobicContact CG1-CD1 4.49Å; V33-L84 HydrophobicContact CG1-CD2 3.54Å; V33-L84 HydrophobicContact CG1-CG 4.02Å; V33-I93 HydrophobicContact CG1-CG2 4.42Å; V33-I93 HydrophobicContact CG2-CD1 4.14Å; V33-I93 HydrophobicContact CG2-CG1 4.33Å; V33-I93 HydrophobicContact CG2-CG2 3.53Å; V33-F97 HydrophobicContact CB-CE2 4.45Å; V33-F97 HydrophobicContact CB-CZ 4.27Å; V33-F97 HydrophobicContact CG2-CE2 3.87Å; V33-F97 HydrophobicContact CG2-CZ 3.84Å
34	C	97.1	Very high	95.7	Very high	4 Å²	4	35 Å²	35	3%	0.027	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	166.4	174.5	60.5	0	0	0	0	111.2	D36 G61 G62 P116 L133	C34-D36 PolarHBondContact SG-OD1 3.12Å; C34-G61 PolarHBondContact N-O 3.16Å; C34-G61 PolarHBondContact O-N 3.38Å; C34-G61 VanDerWaalsContact SG-C 3.51Å; C34-G62 PolarHBondContact SG-N 3.04Å; C34-G62 VanDerWaalsContact SG-N 3.35Å; C34-P116 CarbonylContact C-O 3.56Å; C34-P116 VanDerWaalsContact CA-O 3.23Å; C34-P116 WeakPolarHBondContact CA-O 3.5Å; C34-P116 HydrophobicContact CB-CB 3.77Å; C34-P116 WeakPolarHBondContact CB-O 3.41Å; C34-L133 HydrophobicContact CB-CD1 4.41Å
35	L	97.7	Very high	96.2	Very high	4 Å²	4	32.6 Å²	32.6	2%	0.021	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	115.9	163.9	167.3	62.9	0	0	0	109.6	I37 W58 V89 F92 I93 P116 S117 A118	L35-I37 HydrophobicContact CG-CG1 4.31Å; L35-W58 HydrophobicContact CD1-CB 3.8Å; L35-W58 HydrophobicContact CD1-CD2 3.98Å; L35-W58 HydrophobicContact CD1-CE3 3.95Å; L35-W58 HydrophobicContact CD1-CG 3.94Å; L35-W58 HydrophobicContact CD2-CD2 4.2Å; L35-W58 HydrophobicContact CD2-CE3 3.95Å; L35-W58 HydrophobicContact CD2-CH2 4.41Å; L35-W58 HydrophobicContact CD2-CZ3 4.06Å; L35-V89 HydrophobicContact CB-CG1 3.67Å; L35-V89 HydrophobicContact CD2-CG1 4.18Å; L35-V89 HydrophobicContact CD2-CG2 4.09Å; L35-F92 HydrophobicContact CD1-CD1 3.69Å; L35-F92 HydrophobicContact CD1-CE1 3.58Å; L35-F92 HydrophobicContact CD1-CZ 4.33Å; L35-I93 HydrophobicContact CB-CD1 4.43Å; L35-P116 PolarHBondContact N-O 2.83Å; L35-S117 CarbonylContact O-C 3.58Å; L35-S117 WeakPolarHBondContact O-CA 3.49Å; L35-S117 WeakPolarHBondContact O-CB 3.29Å; L35-A118 PolarHBondContact O-N 3.12Å
36	D	97	Very high	96.2	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.037	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118.7	171.6	-64.4	-16.9	0	0	0	109.9	C34 I38 W58 Q59 G61	C34-D36 PolarHBondContact SG-OD1 3.12Å; D36-I38 HydrophobicContact CB-CD1 4.16Å; D36-I38 HydrophobicContact CB-CG1 3.86Å; D36-W58 WeakPolarHBondContact O-CA 3.4Å; D36-Q59 HydrophobicContact CB-CB 4.44Å; D36-Q59 PolarHBondContact N-O 2.81Å; D36-Q59 PolarHBondContact O-N 3.14Å; D36-G61 WeakPolarHBondContact OD2-CA 3.43Å
37	I	97.1	Very high	96	Very high	43 Å²	43	43.5 Å²	43.5	22%	0.221	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	97.9	169.1	-55.3	173.5	0	0	0	106.9	L35 Q56 A118 C120	L35-I37 HydrophobicContact CG-CG1 4.31Å; I37-Q56 HydrophobicContact CG2-CG 4.35Å; I37-A118 PolarHBondContact N-O 2.86Å; I37-C120 PolarHBondContact O-N 3.1Å
38	I	95.4	Very high	95.8	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114.6	-171.1	-54	169	0	0	0	109.3	D36 Q56 R57 Q59 C120 V122 L275	D36-I38 HydrophobicContact CB-CD1 4.16Å; D36-I38 HydrophobicContact CB-CG1 3.86Å; I38-Q56 CarbonylContact O-C 3.51Å; I38-Q56 VanDerWaalsContact O-CA 3.26Å; I38-Q56 WeakPolarHBondContact O-CA 3.45Å; I38-R57 HydrophobicContact CB-CG 4.11Å; I38-R57 PolarHBondContact N-O 3.26Å; I38-R57 PolarHBondContact O-N 3.04Å; I38-Q59 HydrophobicContact CD1-CB 3.68Å; I38-Q59 HydrophobicContact CD1-CG 4.38Å; I38-C120 WeakPolarHBondContact CA-O 3.5Å; I38-C120 HydrophobicContact CB-CB 4.32Å; I38-C120 HydrophobicContact CG1-CB 3.92Å; I38-C120 HydrophobicContact CG2-CB 4.41Å; I38-V122 HydrophobicContact CG2-CB 4.47Å; I38-V122 HydrophobicContact CG2-CG2 3.72Å; I38-L275 HydrophobicContact CD1-CD2 3.44Å; I38-L275 VanDerWaalsContact CD1-CD2 3.44Å; I38-L275 HydrophobicContact CG1-CD2 4.06Å
39	S	95.6	Very high	95.7	Very high	25 Å²	25	54.7 Å²	54.7	18%	0.175	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	123.1	172.3	-55.7	0	0	0	0	109.5	Q56 C120 V121 V122	S39-Q56 PolarHBondContact OG-NE2 3.23Å; S39-C120 PolarHBondContact N-O 3.06Å; S39-V121 WeakPolarHBondContact O-CA 3.46Å; S39-V122 PolarHBondContact O-N 3.26Å
40	V	92.1	Very high	95.4	Very high	8 Å²	8	63 Å²	63	5%	0.048	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	128.7	176.1	-175.2	0	0	0	0	108.5	C53 V54 S55 V122 P124	V40-C53 CarbonylContact O-C 3.54Å; V40-C53 WeakPolarHBondContact O-CB 3.27Å; V40-V54 WeakPolarHBondContact O-CB 3.38Å; V40-V54 PolarHBondContact O-N 2.74Å; V40-S55 WeakPolarHBondContact CB-OG 3.46Å; V40-S55 WeakPolarHBondContact CG2-OG 3.18Å; V40-S55 PolarHBondContact N-O 3.35Å; V40-S55 PolarHBondContact O-N 3.12Å; V40-V122 WeakPolarHBondContact CA-O 3.46Å; V40-P124 HydrophobicContact CG1-CG 3.76Å
41	V	93.1	Very high	95.2	Very high	9 Å²	9	66.6 Å²	66.6	6%	0.055	34%	0.343	C	S	.	.			trans	-126.5	155	-178.3	-62.7	0	0	0	0	110.3	E43 C53 V121 V122 C123 P124	V41-E43 VanDerWaalsContact CB-O 3.3Å; V41-E43 WeakPolarHBondContact CB-O 3.48Å; V41-E43 WeakPolarHBondContact CG2-O 3.48Å; V41-C53 HydrophobicContact CG1-CB 4.27Å; V41-V121 HydrophobicContact CG1-CG1 4.37Å; V41-V121 HydrophobicContact CG2-CG1 3.64Å; V41-V122 PolarHBondContact N-O 2.69Å; V41-C123 HydrophobicContact CG2-CB 4.23Å; V41-P124 VanDerWaalsContact O-CD 3.28Å; V41-P124 WeakPolarHBondContact O-CD 3.29Å
42	E	91.1	Very high	95	Very high	152 Å²	152	77.2 Å²	77.2	71%	0.71	38%	0.38	S	S	*	.	S	Bend	trans	-74.2	-39.3	173.4	-62.2	-174.6	165.7	0	0	111.1	V54 C123 S125	E42-V54 HydrophobicContact CG-CG2 3.53Å; E42-C123 PolarHBondContact O-SG 2.98Å; E42-S125 PolarHBondContact O-OG 3.27Å
43	E	92.6	Very high	94.9	Very high	152 Å²	152	78.4 Å²	78.4	71%	0.71	39%	0.389	S	S	*	.	S	Bend	trans	-140	156.7	178.6	-63.5	-177	174.3	0	0	109.1	V41	V41-E43 VanDerWaalsContact CB-O 3.3Å; V41-E43 WeakPolarHBondContact CB-O 3.48Å; V41-E43 WeakPolarHBondContact CG2-O 3.48Å
44	Y	94.1	Very high	94.7	Very high	83 Å²	83	82.7 Å²	82.7	33%	0.325	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-65.6	136.4	178.2	-93.4	-98	0	0	0	111	E46 V121 C123 S128 R129 T130	Y44-E46 PolarHBondContact O-N 3.39Å; Y44-V121 HydrophobicContact CD1-CG1 4.13Å; Y44-V121 HydrophobicContact CE1-CB 4.21Å; Y44-V121 HydrophobicContact CE1-CG1 3.87Å; Y44-C123 HydrophobicContact CD2-CB 3.73Å; Y44-C123 HydrophobicContact CE2-CB 3.38Å; Y44-S128 WeakPolarHBondContact CE2-OG 3.31Å; Y44-S128 PolarHBondContact OH-OG 3.16Å; Y44-R129 WeakPolarHBondContact OH-CA 3.5Å; Y44-T130 WeakPolarHBondContact CE1-OG1 3.39Å; Y44-T130 PolarHBondContact OH-N 3.15Å; Y44-T130 VanDerWaalsContact OH-N 3.16Å; Y44-T130 PolarHBondContact OH-OG1 3.29Å
45	P	93.6	Very high	94.6	Very high	56 Å²	56	85 Å²	85	36%	0.364	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-63.7	135.1	174.4	28	-33.8	0	0	0	109.8
46	E	95.1	Very high	94.5	Very high	152 Å²	152	90.3 Å²	90.3	71%	0.71	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-70.4	149.8	170.6	-67	-175.1	172.3	0	0	110.1	Y44 D48 T49	Y44-E46 PolarHBondContact O-N 3.39Å; E46-D48 PolarHBondContact O-N 3.34Å; E46-T49 HydrophobicContact CB-CG2 3.74Å; E46-T49 PolarHBondContact N-OG1 3.37Å; E46-T49 PolarHBondContact O-N 3.19Å; E46-T49 PolarHBondContact O-OG1 2.97Å
47	E	95.4	Very high	94.4	Very high	189 Å²	189	92.7 Å²	92.7	88%	0.883	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	138.4	175.6	-173.6	174.7	-168.9	0	0	110.5	T49	E47-T49 VanDerWaalsContact C-N 3.33Å; E47-T49 PolarHBondContact O-N 3.23Å
48	D	95.1	Very high	94.4	Very high	173 Å²	173	97 Å²	97	93%	0.925	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.5	32.6	-178.4	-153.5	35.5	0	0	0	114.6	E46	E46-D48 PolarHBondContact O-N 3.34Å
49	T	95.6	Very high	94.5	Very high	62 Å²	62	97.9 Å²	97.9	38%	0.38	48%	0.482	S	S	.	.			trans	-125	155.5	175.8	71.2	0	0	0	0	114.1	E46 E47	E46-T49 HydrophobicContact CB-CG2 3.74Å; E46-T49 PolarHBondContact N-OG1 3.37Å; E46-T49 PolarHBondContact O-N 3.19Å; E46-T49 PolarHBondContact O-OG1 2.97Å; E47-T49 VanDerWaalsContact C-N 3.33Å; E47-T49 PolarHBondContact O-N 3.23Å
50	D	93.1	Very high	94.6	Very high	174 Å²	174	96.9 Å²	96.9	93%	0.93	47%	0.474	S	S	*	.			trans	-100.4	107.7	173.8	-72.1	-13.7	0	0	0	110.4
51	T	93.6	Very high	94.9	Very high	78 Å²	78	96.5 Å²	96.5	48%	0.479	47%	0.472	S	S	.	.			trans	-114.9	134.1	179.6	-61.7	0	0	0	0	111.6
52	R	95.3	Very high	95	Very high	231 Å²	231	96.3 Å²	96.3	87%	0.872	47%	0.472	S	S	*	.			trans	-80.8	125.6	173.2	-178.6	176	-65.9	-85.3	-3.1	110.2
53	C	95.7	Very high	95.4	Very high	44 Å²	44	90.5 Å²	90.5	30%	0.297	45%	0.446	S	S	.	.			trans	-71.6	150.5	171.1	72.1	0	0	0	0	112.1	V40 V41	V40-C53 CarbonylContact O-C 3.54Å; V40-C53 WeakPolarHBondContact O-CB 3.27Å; V41-C53 HydrophobicContact CG1-CB 4.27Å
54	V	94.4	Very high	95.6	Very high	90 Å²	90	83.2 Å²	83.2	55%	0.545	41%	0.412	S	S	.	.	S	Bend	trans	-68.1	-43.3	173.7	177.8	0	0	0	0	110.4	V40 E42	V40-V54 WeakPolarHBondContact O-CB 3.38Å; V40-V54 PolarHBondContact O-N 2.74Å; E42-V54 HydrophobicContact CG-CG2 3.53Å
55	S	94.3	Very high	95.9	Very high	52 Å²	52	79.3 Å²	79.3	36%	0.364	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	159.6	175.4	64.6	0	0	0	0	110.5	V40	V40-S55 WeakPolarHBondContact CB-OG 3.46Å; V40-S55 WeakPolarHBondContact CG2-OG 3.18Å; V40-S55 PolarHBondContact N-O 3.35Å; V40-S55 PolarHBondContact O-N 3.12Å
56	Q	95.4	Very high	96.1	Very high	116 Å²	116	76.8 Å²	76.8	54%	0.542	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	142.6	174.8	-171	176.5	84.8	0	0	110.1	I37 I38 S39	I37-Q56 HydrophobicContact CG2-CG 4.35Å; I38-Q56 CarbonylContact O-C 3.51Å; I38-Q56 VanDerWaalsContact O-CA 3.26Å; I38-Q56 WeakPolarHBondContact O-CA 3.45Å; S39-Q56 PolarHBondContact OG-NE2 3.23Å
57	R	95.1	Very high	96.3	Very high	57 Å²	57	69.6 Å²	69.6	22%	0.215	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	157.3	175.7	68	-175.7	-170.8	-83.3	2.3	111.5	I38 D273	I38-R57 HydrophobicContact CB-CG 4.11Å; I38-R57 PolarHBondContact N-O 3.26Å; I38-R57 PolarHBondContact O-N 3.04Å; R57-D273 IonicContact NH2-OD2 2.79Å; R57-D273 PolarHBondContact NH2-OD2 2.93Å
58	W	97.4	Very high	96.4	Very high	134 Å²	134	60.6 Å²	60.6	51%	0.508	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	139.6	167.6	-72.5	12.8	0	0	0	109.3	L35 D36 F92	L35-W58 HydrophobicContact CD1-CB 3.8Å; L35-W58 HydrophobicContact CD1-CD2 3.98Å; L35-W58 HydrophobicContact CD1-CE3 3.95Å; L35-W58 HydrophobicContact CD1-CG 3.94Å; L35-W58 HydrophobicContact CD2-CD2 4.2Å; L35-W58 HydrophobicContact CD2-CE3 3.95Å; L35-W58 HydrophobicContact CD2-CH2 4.41Å; L35-W58 HydrophobicContact CD2-CZ3 4.06Å; D36-W58 WeakPolarHBondContact O-CA 3.4Å; W58-F92 HydrophobicContact CB-CE1 4.27Å; W58-F92 HydrophobicContact CB-CE2 4.01Å; W58-F92 HydrophobicContact CB-CZ 3.69Å; W58-F92 AromaticContact CE3-CD2 3.94Å; W58-F92 HydrophobicContact CE3-CD2 3.94Å; W58-F92 HydrophobicContact CE3-CE2 4.18Å; W58-F92 HydrophobicContact CE3-CG 4.16Å
59	Q	97.3	Very high	96.6	Very high	19 Å²	19	52.4 Å²	52.4	9%	0.089	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	141.1	178.1	-168.5	177.2	-77.3	0	0	108.9	D36 I38 G61 G314	D36-Q59 HydrophobicContact CB-CB 4.44Å; D36-Q59 PolarHBondContact N-O 2.81Å; D36-Q59 PolarHBondContact O-N 3.14Å; I38-Q59 HydrophobicContact CD1-CB 3.68Å; I38-Q59 HydrophobicContact CD1-CG 4.38Å; Q59-G61 PolarHBondContact O-N 3.1Å; Q59-G314 VanDerWaalsContact OE1-CA 3.29Å
60	R	97.9	Very high	96.8	Very high	3 Å²	3	49.4 Å²	49.4	1%	0.011	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	127.2	167.4	-178.5	171.2	53.5	73.4	4.9	108.9	V33 S65 N66 T69 I93 D96 F97 R100	V33-R60 HydrophobicContact CG2-CG 3.73Å; R60-S65 WeakPolarHBondContact CG-OG 3.34Å; R60-S65 PolarHBondContact NH1-O 3.02Å; R60-S65 PolarHBondContact NH1-OG 3.25Å; R60-N66 PolarHBondContact O-OD1 3.28Å; R60-T69 PolarHBondContact NH1-OG1 3.01Å; R60-T69 PolarHBondContact NH2-OG1 3.24Å; R60-I93 HydrophobicContact CG-CG1 4.39Å; R60-I93 HydrophobicContact CG-CG2 4.43Å; R60-D96 HydrophobicContact CB-CB 4.44Å; R60-D96 IonicContact CZ-OD2 3.16Å; R60-D96 IonicContact NE-OD2 3.63Å; R60-D96 PolarHBondContact NE-OD2 3.32Å; R60-D96 IonicContact NH2-OD2 2.84Å; R60-D96 PolarHBondContact NH2-OD2 2.94Å; R60-F97 VanDerWaalsContact CZ-CD1 3.49Å; R60-F97 VanDerWaalsContact CZ-CE1 3.49Å; R60-R100 VanDerWaalsContact NH2-CD 3.29Å
61	G	96.9	Very high	97	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	-164.9	-177.9	0	0	0	0	0	113.2	C34 D36 Q59 S65 N66	C34-G61 PolarHBondContact N-O 3.16Å; C34-G61 PolarHBondContact O-N 3.38Å; C34-G61 VanDerWaalsContact SG-C 3.51Å; D36-G61 WeakPolarHBondContact OD2-CA 3.43Å; Q59-G61 PolarHBondContact O-N 3.1Å; G61-S65 WeakPolarHBondContact O-CB 3.49Å; G61-S65 PolarHBondContact O-OG 3.01Å; G61-N66 WeakPolarHBondContact CA-OD1 3.37Å
62	G	96.5	Very high	97.2	Very high	6 Å²	6	38.1 Å²	38.1	6%	0.062	18%	0.18	C	C	.	.			trans	89.1	137.6	-176	0	0	0	0	0	112.6	L32 C34 A64 S65 N66	L32-G62 CarbonylContact O-C 3.53Å; C34-G62 PolarHBondContact SG-N 3.04Å; C34-G62 VanDerWaalsContact SG-N 3.35Å; G62-A64 PolarHBondContact O-N 3.41Å; G62-S65 CarbonylContact O-C 3.54Å; G62-S65 WeakPolarHBondContact O-CB 3.45Å; G62-S65 PolarHBondContact O-N 2.91Å; G62-N66 VanDerWaalsContact O-CB 3.31Å; G62-N66 WeakPolarHBondContact O-CB 3.49Å; G62-N66 PolarHBondContact O-N 2.94Å; G62-N66 PolarHBondContact O-ND2 3.41Å
63	N	98.1	Very high	97.3	Very high	29 Å²	29	27.9 Å²	27.9	16%	0.155	14%	0.143	C	C	.	.	H	α-helix	trans	-59.9	-52.2	-167	-64.3	23.3	0	0	0	113	S65 N66 S67 E160 E192 D279	N63-S65 VanDerWaalsContact C-N 3.33Å; N63-S65 PolarHBondContact O-N 2.65Å; N63-N66 PolarHBondContact O-N 3.16Å; N63-S67 WeakPolarHBondContact O-CB 3.36Å; N63-S67 PolarHBondContact O-N 2.93Å; N63-S67 PolarHBondContact O-OG 2.95Å; N63-E160 HydrophobicContact CB-CG 4.04Å; N63-E192 WeakPolarHBondContact CB-OE2 3.47Å; N63-E192 PolarHBondContact ND2-OE2 2.78Å; N63-D279 WeakPolarHBondContact CA-OD1 3.4Å; N63-D279 VanDerWaalsContact CB-OD1 3.29Å; N63-D279 WeakPolarHBondContact CB-OD1 3.4Å; N63-D279 VanDerWaalsContact CG-OD1 3.29Å
64	A	98.7	Very high	97.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-61.2	-41.8	176.8	0	0	0	0	0	112	C29 G62 S67 C68 F80 E160	C29-A64 HydrophobicContact CB-CB 3.93Å; G62-A64 PolarHBondContact O-N 3.41Å; A64-S67 WeakPolarHBondContact O-CB 3.31Å; A64-S67 PolarHBondContact O-N 3.03Å; A64-C68 PolarHBondContact O-N 2.87Å; A64-C68 PolarHBondContact O-SG 3.22Å; A64-C68 VanDerWaalsContact O-SG 3.39Å; A64-F80 HydrophobicContact CB-CD2 4.47Å; A64-F80 HydrophobicContact CB-CE2 4.06Å; A64-E160 HydrophobicContact CB-CB 4.31Å; A64-E160 PolarHBondContact N-OE2 3.44Å
65	S	98.7	Very high	97.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-64.7	-41.9	177.9	157	0	0	0	0	113	L32 V33 R60 G61 G62 N63 C68 T69	L32-S65 VanDerWaalsContact O-CB 3.3Å; L32-S65 WeakPolarHBondContact O-CB 3.25Å; L32-S65 PolarHBondContact O-N 2.85Å; V33-S65 WeakPolarHBondContact CG2-OG 3.3Å; R60-S65 WeakPolarHBondContact CG-OG 3.34Å; R60-S65 PolarHBondContact NH1-O 3.02Å; R60-S65 PolarHBondContact NH1-OG 3.25Å; G61-S65 WeakPolarHBondContact O-CB 3.49Å; G61-S65 PolarHBondContact O-OG 3.01Å; G62-S65 CarbonylContact O-C 3.54Å; G62-S65 WeakPolarHBondContact O-CB 3.45Å; G62-S65 PolarHBondContact O-N 2.91Å; N63-S65 VanDerWaalsContact C-N 3.33Å; N63-S65 PolarHBondContact O-N 2.65Å; S65-C68 WeakPolarHBondContact O-CB 3.25Å; S65-C68 PolarHBondContact O-N 2.79Å; S65-T69 PolarHBondContact O-N 3.49Å; S65-T69 VanDerWaalsContact O-N 3.15Å; S65-T69 PolarHBondContact O-OG1 3.29Å
66	N	98.7	Very high	97.5	Very high	4 Å²	4	24.1 Å²	24.1	2%	0.021	13%	0.127	C	C	.	.	H	α-helix	trans	-64.8	-41.6	173.9	-73.7	-25.9	0	0	0	111.1	R60 G61 G62 N63 C68 T69 V70 D279 Y315	R60-N66 PolarHBondContact O-OD1 3.28Å; G61-N66 WeakPolarHBondContact CA-OD1 3.37Å; G62-N66 VanDerWaalsContact O-CB 3.31Å; G62-N66 WeakPolarHBondContact O-CB 3.49Å; G62-N66 PolarHBondContact O-N 2.94Å; G62-N66 PolarHBondContact O-ND2 3.41Å; N63-N66 PolarHBondContact O-N 3.16Å; N66-C68 VanDerWaalsContact C-N 3.31Å; N66-C68 PolarHBondContact O-N 3.42Å; N66-T69 VanDerWaalsContact O-CB 3.27Å; N66-T69 WeakPolarHBondContact O-CB 3.39Å; N66-T69 PolarHBondContact O-N 3.02Å; N66-T69 VanDerWaalsContact O-N 3.09Å; N66-V70 PolarHBondContact O-N 3.03Å; N66-V70 VanDerWaalsContact O-N 3.1Å; N66-D279 HydrophobicContact CB-CB 3.56Å; N66-D279 VanDerWaalsContact CB-OD2 3.27Å; N66-D279 WeakPolarHBondContact CB-OD2 3.4Å; N66-D279 PolarHBondContact ND2-OD2 3.14Å; N66-Y315 WeakPolarHBondContact CB-OH 3.44Å; N66-Y315 PolarHBondContact ND2-OH 3.16Å; N66-Y315 VanDerWaalsContact ND2-OH 3.14Å; N66-Y315 PolarHBondContact OD1-OH 3.34Å
67	S	98.8	Very high	97.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-59	-42.5	174.4	-62.4	0	0	0	0	111.4	N63 A64 T69 V70 L71 D279	N63-S67 WeakPolarHBondContact O-CB 3.36Å; N63-S67 PolarHBondContact O-N 2.93Å; N63-S67 PolarHBondContact O-OG 2.95Å; A64-S67 WeakPolarHBondContact O-CB 3.31Å; A64-S67 PolarHBondContact O-N 3.03Å; S67-T69 VanDerWaalsContact C-N 3.34Å; S67-T69 PolarHBondContact O-N 3.42Å; S67-V70 PolarHBondContact O-N 2.82Å; S67-L71 WeakPolarHBondContact O-CB 3.47Å; S67-L71 VanDerWaalsContact O-CG 3.29Å; S67-L71 WeakPolarHBondContact O-CG 3.48Å; S67-L71 PolarHBondContact O-N 3.15Å; S67-D279 PolarHBondContact OG-O 3.16Å
68	C	98.8	Very high	97.8	Very high	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-59.3	-41.5	173.2	-68	0	0	0	0	112.7	C29 A64 S65 N66 V70 L71 S72 C78 A79 I102	C29-C68 VanDerWaalsContact CB-SG 3.55Å; A64-C68 PolarHBondContact O-N 2.87Å; A64-C68 PolarHBondContact O-SG 3.22Å; A64-C68 VanDerWaalsContact O-SG 3.39Å; S65-C68 WeakPolarHBondContact O-CB 3.25Å; S65-C68 PolarHBondContact O-N 2.79Å; N66-C68 VanDerWaalsContact C-N 3.31Å; N66-C68 PolarHBondContact O-N 3.42Å; C68-V70 VanDerWaalsContact C-N 3.33Å; C68-V70 PolarHBondContact O-N 3.4Å; C68-L71 PolarHBondContact O-N 3.4Å; C68-S72 WeakPolarHBondContact O-CB 3.35Å; C68-S72 PolarHBondContact O-N 2.96Å; C68-C78 PolarHBondContact O-SG 3.03Å; C68-A79 PolarHBondContact SG-O 2.91Å; C68-I102 HydrophobicContact CB-CD1 3.79Å; C68-I102 HydrophobicContact CB-CG1 4.2Å; C68-I102 HydrophobicContact CB-CG2 3.94Å
69	T	98.7	Very high	97.9	Very high	1 Å²	1	11.4 Å²	11.4	1%	0.006	8%	0.079	C	C	.	.	H	α-helix	trans	-56.1	-48.9	175.7	-63.5	0	0	0	0	111	R60 S65 N66 S67 S72 L73 Y315	R60-T69 PolarHBondContact NH1-OG1 3.01Å; R60-T69 PolarHBondContact NH2-OG1 3.24Å; S65-T69 PolarHBondContact O-N 3.49Å; S65-T69 VanDerWaalsContact O-N 3.15Å; S65-T69 PolarHBondContact O-OG1 3.29Å; N66-T69 VanDerWaalsContact O-CB 3.27Å; N66-T69 WeakPolarHBondContact O-CB 3.39Å; N66-T69 PolarHBondContact O-N 3.02Å; N66-T69 VanDerWaalsContact O-N 3.09Å; S67-T69 VanDerWaalsContact C-N 3.34Å; S67-T69 PolarHBondContact O-N 3.42Å; T69-S72 PolarHBondContact O-N 3.46Å; T69-L73 HydrophobicContact CG2-CD1 3.98Å; T69-L73 WeakPolarHBondContact O-CB 3.13Å; T69-L73 VanDerWaalsContact O-CG 3.27Å; T69-L73 WeakPolarHBondContact O-CG 3.38Å; T69-L73 PolarHBondContact O-N 3.15Å; T69-Y315 HydrophobicContact CG2-CD2 3.69Å; T69-Y315 HydrophobicContact CG2-CE2 4.47Å; T69-Y315 HydrophobicContact CG2-CG 3.71Å
70	V	98.6	Very high	97.9	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-68.6	-43.8	-178.5	177.3	0	0	0	0	111.1	N66 S67 C68 S72 L73 L74 T280 A283 I305 Y315 I318	N66-V70 PolarHBondContact O-N 3.03Å; N66-V70 VanDerWaalsContact O-N 3.1Å; S67-V70 PolarHBondContact O-N 2.82Å; C68-V70 VanDerWaalsContact C-N 3.33Å; C68-V70 PolarHBondContact O-N 3.4Å; V70-S72 VanDerWaalsContact C-N 3.33Å; V70-S72 PolarHBondContact O-N 2.89Å; V70-L73 PolarHBondContact O-N 2.7Å; V70-L73 VanDerWaalsContact O-N 3.1Å; V70-L74 HydrophobicContact CG1-CD1 4.04Å; V70-L74 HydrophobicContact CG1-CG 4.34Å; V70-L74 VanDerWaalsContact O-CG 3.29Å; V70-L74 WeakPolarHBondContact O-CG 3.28Å; V70-L74 PolarHBondContact O-N 3.17Å; V70-T280 HydrophobicContact CG1-CG2 4.06Å; V70-T280 HydrophobicContact CG2-CG2 4.07Å; V70-A283 HydrophobicContact CB-CB 3.62Å; V70-A283 HydrophobicContact CG1-CB 3.61Å; V70-I305 HydrophobicContact CG1-CD1 3.9Å; V70-Y315 HydrophobicContact CG2-CD1 3.86Å; V70-Y315 HydrophobicContact CG2-CE1 4.21Å; V70-I318 HydrophobicContact CG1-CD1 4.45Å; V70-I318 HydrophobicContact CG2-CD1 3.92Å
71	L	98.6	Very high	98	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-57.1	-45.1	175.7	-71.6	172.5	0	0	0	112.1	I27 S67 C68 L74 G75 A76 C78 A283 L286 H287	I27-L71 HydrophobicContact CB-CD1 4.08Å; I27-L71 HydrophobicContact CD1-CD1 4.31Å; I27-L71 HydrophobicContact CD1-CD2 3.85Å; I27-L71 HydrophobicContact CG2-CD1 3.67Å; S67-L71 WeakPolarHBondContact O-CB 3.47Å; S67-L71 VanDerWaalsContact O-CG 3.29Å; S67-L71 WeakPolarHBondContact O-CG 3.48Å; S67-L71 PolarHBondContact O-N 3.15Å; C68-L71 PolarHBondContact O-N 3.4Å; L71-L74 PolarHBondContact O-N 3.17Å; L71-G75 PolarHBondContact O-N 3.25Å; L71-A76 HydrophobicContact CB-CB 4.48Å; L71-A76 PolarHBondContact O-N 3.15Å; L71-C78 HydrophobicContact CB-CB 4.02Å; L71-C78 HydrophobicContact CD1-CB 4.16Å; L71-A283 HydrophobicContact CD2-CB 4.34Å; L71-A283 WeakPolarHBondContact CD2-O 3.47Å; L71-A283 HydrophobicContact CG-CB 4.13Å; L71-L286 HydrophobicContact CD2-CB 4.45Å; L71-H287 HydrophobicContact CD2-CB 4.01Å
72	S	97.8	Very high	98	Very high	14 Å²	14	10.5 Å²	10.5	10%	0.098	8%	0.075	C	C	.	.	H	α-helix	trans	-63.1	-41.2	174.8	167.2	0	0	0	0	112	C68 T69 V70 L74 G75 R100 R319	C68-S72 WeakPolarHBondContact O-CB 3.35Å; C68-S72 PolarHBondContact O-N 2.96Å; T69-S72 PolarHBondContact O-N 3.46Å; V70-S72 VanDerWaalsContact C-N 3.33Å; V70-S72 PolarHBondContact O-N 2.89Å; S72-L74 VanDerWaalsContact C-N 3.27Å; S72-L74 PolarHBondContact O-N 3.42Å; S72-G75 PolarHBondContact O-N 3.03Å; S72-R100 WeakPolarHBondContact CB-O 3.24Å; S72-R100 PolarHBondContact OG-O 2.89Å; S72-R319 PolarHBondContact O-NH2 3.5Å
73	L	97.2	Very high	98.1	Very high	16 Å²	16	10.9 Å²	10.9	8%	0.084	8%	0.077	C	C	.	.	H	α-helix	trans	-63.4	-34.8	176.7	-73.7	171.1	0	0	0	112.2	T69 V70 G75 Y315 I318 R319	T69-L73 HydrophobicContact CG2-CD1 3.98Å; T69-L73 WeakPolarHBondContact O-CB 3.13Å; T69-L73 VanDerWaalsContact O-CG 3.27Å; T69-L73 WeakPolarHBondContact O-CG 3.38Å; T69-L73 PolarHBondContact O-N 3.15Å; V70-L73 PolarHBondContact O-N 2.7Å; V70-L73 VanDerWaalsContact O-N 3.1Å; L73-G75 PolarHBondContact O-N 2.82Å; L73-Y315 VanDerWaalsContact CD1-O 3.26Å; L73-Y315 WeakPolarHBondContact CD1-O 3.13Å; L73-I318 HydrophobicContact CD1-CB 4.45Å; L73-R319 HydrophobicContact CB-CG 4.18Å; L73-R319 HydrophobicContact CD2-CG 3.98Å; L73-R319 VanDerWaalsContact O-CG 3.23Å; L73-R319 WeakPolarHBondContact O-CG 3.38Å; L73-R319 PolarHBondContact O-NE 3.35Å
74	L	96.5	Very high	98.1	Very high	42 Å²	42	9.5 Å²	9.5	22%	0.22	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-4.3	173.2	-64.4	175.7	0	0	0	113.8	V70 L71 S72 H287 F301 I305	V70-L74 HydrophobicContact CG1-CD1 4.04Å; V70-L74 HydrophobicContact CG1-CG 4.34Å; V70-L74 VanDerWaalsContact O-CG 3.29Å; V70-L74 WeakPolarHBondContact O-CG 3.28Å; V70-L74 PolarHBondContact O-N 3.17Å; L71-L74 PolarHBondContact O-N 3.17Å; S72-L74 VanDerWaalsContact C-N 3.27Å; S72-L74 PolarHBondContact O-N 3.42Å; L74-H287 HydrophobicContact CD1-CB 3.75Å; L74-F301 HydrophobicContact CD1-CE1 3.89Å; L74-F301 HydrophobicContact CD1-CZ 4.34Å; L74-F301 HydrophobicContact CD2-CE1 4.19Å; L74-F301 HydrophobicContact CD2-CZ 3.78Å; L74-I305 HydrophobicContact CD1-CD1 4.01Å
75	G	95.8	Very high	98	Very high	57 Å²	57	9.8 Å²	9.8	59%	0.588	7%	0.072	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.9	11	178.5	0	0	0	0	0	114.5	L71 S72 L73	L71-G75 PolarHBondContact O-N 3.25Å; S72-G75 PolarHBondContact O-N 3.03Å; L73-G75 PolarHBondContact O-N 2.82Å
76	A	96.4	Very high	97.9	Very high	9 Å²	9	13.9 Å²	13.9	7%	0.074	11%	0.106	C	C	.	.			trans	-84.3	126.7	173.5	0	0	0	0	0	110.9	I27 L71 C78	I27-A76 HydrophobicContact CD1-CB 4.24Å; L71-A76 HydrophobicContact CB-CB 4.48Å; L71-A76 PolarHBondContact O-N 3.15Å; A76-C78 PolarHBondContact O-N 3.02Å
77	P	97.9	Very high	97.7	Very high	36 Å²	36	15 Å²	15	23%	0.234	12%	0.118	C	C	.	.			trans	-58.6	124.1	169.9	-23.8	34.5	0	0	0	110.4	Q24 K26 I27	Q24-P77 HydrophobicContact CB-CG 4.14Å; K26-P77 CarbonylContact C-O 3.58Å; K26-P77 VanDerWaalsContact CA-O 3.27Å; K26-P77 WeakPolarHBondContact CA-O 3.26Å; K26-P77 HydrophobicContact CG-CB 3.86Å; I27-P77 PolarHBondContact N-O 3.24Å
78	C	98.5	Very high	97.6	Very high	4 Å²	4	20.1 Å²	20.1	3%	0.027	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	156.9	-178.6	67.3	0	0	0	0	112.2	I27 C68 L71 A76 D103	I27-C78 CarbonylContact O-C 3.56Å; I27-C78 WeakPolarHBondContact O-CA 3.4Å; I27-C78 WeakPolarHBondContact O-CB 3.12Å; C68-C78 PolarHBondContact O-SG 3.03Å; L71-C78 HydrophobicContact CB-CB 4.02Å; L71-C78 HydrophobicContact CD1-CB 4.16Å; A76-C78 PolarHBondContact O-N 3.02Å; C78-D103 PolarHBondContact O-N 2.94Å
79	A	98.8	Very high	97.5	Very high	0 Å²	0	22 Å²	22	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151.6	174.8	0	0	0	0	0	110	I27 L28 C29 C68 D103 F154	I27-A79 PolarHBondContact O-N 3.23Å; L28-A79 WeakPolarHBondContact CA-O 3.18Å; L28-A79 HydrophobicContact CD1-CB 3.71Å; C29-A79 PolarHBondContact N-O 3.29Å; C68-A79 PolarHBondContact SG-O 2.91Å; A79-D103 CarbonylContact C-O 3.56Å; A79-D103 WeakPolarHBondContact CA-O 3.31Å; A79-D103 HydrophobicContact CB-CB 3.84Å; A79-F154 HydrophobicContact CB-CE1 3.78Å; A79-F154 HydrophobicContact CB-CZ 4.37Å
80	F	98.9	Very high	97.4	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	136.6	174.9	176.6	-99	0	0	0	110.4	V33 A64 F97 I102 D103 V107	V33-F80 HydrophobicContact CB-CE1 3.86Å; V33-F80 HydrophobicContact CB-CE2 4.17Å; V33-F80 HydrophobicContact CB-CZ 3.48Å; V33-F80 VanDerWaalsContact CB-CZ 3.48Å; V33-F80 HydrophobicContact CG1-CE1 3.6Å; V33-F80 HydrophobicContact CG1-CZ 3.6Å; A64-F80 HydrophobicContact CB-CD2 4.47Å; A64-F80 HydrophobicContact CB-CE2 4.06Å; F80-F97 HydrophobicContact CB-CE1 3.86Å; F80-F97 HydrophobicContact CB-CZ 3.97Å; F80-F97 HydrophobicContact CD1-CE1 4.24Å; F80-F97 AromaticContact CD1-CE2 3.88Å; F80-F97 HydrophobicContact CD1-CE2 3.88Å; F80-F97 AromaticContact CD1-CZ 3.46Å; F80-F97 HydrophobicContact CD1-CZ 3.46Å; F80-F97 VanDerWaalsContact CD1-CZ 3.46Å; F80-F97 HydrophobicContact CD2-CE1 4.38Å; F80-F97 HydrophobicContact CD2-CZ 4.03Å; F80-F97 HydrophobicContact CE1-CE2 4.26Å; F80-F97 AromaticContact CE1-CZ 3.95Å; F80-F97 HydrophobicContact CE1-CZ 3.95Å; F80-F97 HydrophobicContact CE2-CZ 4.46Å; F80-F97 AromaticContact CG-CE1 3.89Å; F80-F97 HydrophobicContact CG-CE1 3.89Å; F80-F97 HydrophobicContact CG-CE2 4.36Å; F80-F97 AromaticContact CG-CZ 3.52Å; F80-F97 HydrophobicContact CG-CZ 3.52Å; F80-F97 HydrophobicContact CZ-CZ 4.43Å; F80-I102 HydrophobicContact CB-CG2 4.08Å; F80-D103 PolarHBondContact N-O 2.7Å; F80-V107 HydrophobicContact CD1-CG2 4.05Å; F80-V107 HydrophobicContact CE1-CG2 4.48Å
81	M	98.8	Very high	97.4	Very high	2 Å²	2	27.1 Å²	27.1	1%	0.01	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	119.2	169.4	177.5	164.2	-160.2	0	0	109.7	L28 C29 V30 G31 A106 V141 D145 F146 I149	L28-M81 HydrophobicContact CD1-CB 3.94Å; C29-M81 PolarHBondContact O-N 3.01Å; V30-M81 CarbonylContact C-O 3.47Å; V30-M81 VanDerWaalsContact CA-O 3.3Å; V30-M81 WeakPolarHBondContact CA-O 3.34Å; V30-M81 HydrophobicContact CG1-CB 4.49Å; V30-M81 HydrophobicContact CG1-CG 4.35Å; V30-M81 HydrophobicContact CG2-CB 4.26Å; G31-M81 PolarHBondContact N-O 3.15Å; M81-A106 HydrophobicContact CB-CB 3.95Å; M81-A106 HydrophobicContact CG-CB 4.3Å; M81-A106 WeakPolarHBondContact CG-O 3.45Å; M81-A106 HydrophobicContact SD-CB 4.3Å; M81-V141 HydrophobicContact CE-CG1 3.36Å; M81-V141 HydrophobicContact CG-CG1 4.09Å; M81-V141 HydrophobicContact CG-CG2 4.22Å; M81-V141 HydrophobicContact SD-CG1 4.17Å; M81-D145 HydrophobicContact CE-CB 3.99Å; M81-F146 HydrophobicContact CE-CB 4.15Å; M81-F146 HydrophobicContact CE-CD2 4.39Å; M81-F146 HydrophobicContact SD-CD2 3.76Å; M81-I149 HydrophobicContact CE-CG2 4.26Å; M81-I149 HydrophobicContact SD-CG2 4.08Å
82	G	98.2	Very high	97.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	20%	0.203	C	C	.	.			trans	-166.5	172	179.9	0	0	0	0	0	110	G31 A108	G31-G82 WeakPolarHBondContact O-CA 3.29Å; G82-A108 PolarHBondContact O-N 2.55Å
83	S	98	Very high	97.4	Very high	15 Å²	15	29.5 Å²	29.5	11%	0.105	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	133.8	179.8	-67.8	0	0	0	0	111.6	A108 Q110 P139	S83-A108 WeakPolarHBondContact CA-O 3.45Å; S83-Q110 PolarHBondContact OG-NE2 3.19Å; S83-P139 VanDerWaalsContact CB-O 3.24Å; S83-P139 WeakPolarHBondContact CB-O 3.44Å; S83-P139 PolarHBondContact OG-O 3.24Å
84	L	97.4	Very high	97.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	147.2	172.7	-75.5	-179.6	0	0	0	110.2	V33 I93 M94 V107 A108 W109 Q110 T115	V33-L84 HydrophobicContact CG1-CD1 4.49Å; V33-L84 HydrophobicContact CG1-CD2 3.54Å; V33-L84 HydrophobicContact CG1-CG 4.02Å; L84-I93 HydrophobicContact CD1-CG2 4.19Å; L84-I93 HydrophobicContact CD2-CD1 4.37Å; L84-I93 HydrophobicContact CD2-CG2 4.34Å; L84-M94 HydrophobicContact CD1-CG 4.28Å; L84-M94 HydrophobicContact CD1-SD 3.67Å; L84-V107 HydrophobicContact CB-CG1 3.91Å; L84-V107 HydrophobicContact CD1-CG1 3.88Å; L84-V107 HydrophobicContact CD1-CG2 4.43Å; L84-V107 HydrophobicContact CG-CG1 4.05Å; L84-A108 PolarHBondContact N-O 2.65Å; L84-A108 VanDerWaalsContact N-O 3.14Å; L84-W109 HydrophobicContact CB-CE3 3.96Å; L84-W109 HydrophobicContact CB-CH2 4.25Å; L84-W109 HydrophobicContact CB-CZ3 3.81Å; L84-W109 HydrophobicContact CD1-CH2 4.22Å; L84-W109 CarbonylContact O-C 3.53Å; L84-W109 WeakPolarHBondContact O-CA 3.23Å; L84-Q110 PolarHBondContact O-N 3.37Å; L84-T115 HydrophobicContact CD2-CG2 3.3Å
85	A	96.9	Very high	97.5	Very high	5 Å²	5	31 Å²	31	4%	0.041	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	138.7	168.9	0	0	0	0	0	109.9	G87 A90 Q110 G113 T115 L138	A85-G87 PolarHBondContact O-N 2.95Å; A85-A90 WeakPolarHBondContact O-CB 3.31Å; A85-Q110 HydrophobicContact CB-CB 4.4Å; A85-G113 VanDerWaalsContact CB-O 3.24Å; A85-G113 WeakPolarHBondContact CB-O 3.43Å; A85-T115 PolarHBondContact N-OG1 2.83Å; A85-T115 PolarHBondContact O-OG1 3.42Å; A85-L138 HydrophobicContact CB-CD1 4.1Å; A85-L138 HydrophobicContact CB-CD2 3.76Å
86	A	96	Very high	97.7	Very high	87 Å²	87	29.4 Å²	29.4	72%	0.719	19%	0.192	S	C	*	.	S	Bend	trans	-58.1	136.7	-176.7	0	0	0	0	0	111.9
87	G	95.4	Very high	97.8	Very high	26 Å²	26	29 Å²	29	27%	0.268	19%	0.189	S	C	.	.	S	Bend	trans	153.4	177.5	-179.7	0	0	0	0	0	112	A85 V89 A90 D91	A85-G87 PolarHBondContact O-N 2.95Å; G87-V89 PolarHBondContact O-N 3.46Å; G87-V89 VanDerWaalsContact O-N 3.12Å; G87-A90 PolarHBondContact O-N 2.84Å; G87-D91 PolarHBondContact O-N 2.97Å
88	P	96	Very high	97.8	Very high	108 Å²	108	33 Å²	33	70%	0.701	21%	0.208	S	C	*	.	H	α-helix	trans	-58	-34.3	-171.1	-26.5	34.6	0	0	0	114.3	D91 F92	P88-D91 PolarHBondContact O-N 3.06Å; P88-F92 PolarHBondContact O-N 3.42Å; P88-F92 VanDerWaalsContact O-N 3.13Å
89	V	96.7	Very high	97.7	Very high	39 Å²	39	40.2 Å²	40.2	24%	0.236	24%	0.241	C	C	.	.	H	α-helix	trans	-65.5	-46.4	176.3	177.2	0	0	0	0	110.8	L35 G87 F92 I93 T115	L35-V89 HydrophobicContact CB-CG1 3.67Å; L35-V89 HydrophobicContact CD2-CG1 4.18Å; L35-V89 HydrophobicContact CD2-CG2 4.09Å; G87-V89 PolarHBondContact O-N 3.46Å; G87-V89 VanDerWaalsContact O-N 3.12Å; V89-F92 PolarHBondContact O-N 3.44Å; V89-I93 HydrophobicContact CG1-CD1 3.8Å; V89-I93 WeakPolarHBondContact O-CB 3.19Å; V89-I93 WeakPolarHBondContact O-CD1 3.35Å; V89-I93 VanDerWaalsContact O-CG1 3.32Å; V89-I93 WeakPolarHBondContact O-CG1 3.33Å; V89-I93 PolarHBondContact O-N 3.42Å; V89-I93 VanDerWaalsContact O-N 3.07Å; V89-T115 HydrophobicContact CB-CG2 4.42Å; V89-T115 HydrophobicContact CG1-CG2 3.6Å
90	A	97.3	Very high	97.6	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.1	-39	176.7	0	0	0	0	0	111.5	A85 G87 F92 I93 M94 W109	A85-A90 WeakPolarHBondContact O-CB 3.31Å; G87-A90 PolarHBondContact O-N 2.84Å; A90-F92 VanDerWaalsContact C-N 3.33Å; A90-F92 PolarHBondContact O-N 3.23Å; A90-I93 PolarHBondContact O-N 3.11Å; A90-M94 WeakPolarHBondContact O-CB 3.3Å; A90-M94 WeakPolarHBondContact O-CG 3.39Å; A90-M94 PolarHBondContact O-N 3.3Å; A90-W109 HydrophobicContact CB-CH2 4.34Å; A90-W109 HydrophobicContact CB-CZ3 4.13Å
91	D	97.9	Very high	97.6	Very high	109 Å²	109	45.9 Å²	45.9	58%	0.583	28%	0.28	S	S	*	.	H	α-helix	trans	-59	-44.7	177.6	-64.4	-24.7	0	0	0	111.5	G87 P88 A95	G87-D91 PolarHBondContact O-N 2.97Å; P88-D91 PolarHBondContact O-N 3.06Å; D91-A95 WeakPolarHBondContact O-CB 3.15Å; D91-A95 PolarHBondContact O-N 3.01Å
92	F	98.4	Very high	97.6	Very high	64 Å²	64	46 Å²	46	28%	0.281	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-48.6	174.1	173.6	-92.2	0	0	0	112	L35 W58 P88 V89 A90 M94 A95 D96	L35-F92 HydrophobicContact CD1-CD1 3.69Å; L35-F92 HydrophobicContact CD1-CE1 3.58Å; L35-F92 HydrophobicContact CD1-CZ 4.33Å; W58-F92 HydrophobicContact CB-CE1 4.27Å; W58-F92 HydrophobicContact CB-CE2 4.01Å; W58-F92 HydrophobicContact CB-CZ 3.69Å; W58-F92 AromaticContact CE3-CD2 3.94Å; W58-F92 HydrophobicContact CE3-CD2 3.94Å; W58-F92 HydrophobicContact CE3-CE2 4.18Å; W58-F92 HydrophobicContact CE3-CG 4.16Å; P88-F92 PolarHBondContact O-N 3.42Å; P88-F92 VanDerWaalsContact O-N 3.13Å; V89-F92 PolarHBondContact O-N 3.44Å; A90-F92 VanDerWaalsContact C-N 3.33Å; A90-F92 PolarHBondContact O-N 3.23Å; F92-M94 PolarHBondContact O-N 2.97Å; F92-A95 PolarHBondContact O-N 3.43Å; F92-D96 PolarHBondContact O-N 3.48Å
93	I	98.4	Very high	97.6	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-61.1	-44.8	-179	-75.8	166.3	0	0	0	111.1	V33 L35 R60 L84 V89 A90 D96 F97 T115	V33-I93 HydrophobicContact CG1-CG2 4.42Å; V33-I93 HydrophobicContact CG2-CD1 4.14Å; V33-I93 HydrophobicContact CG2-CG1 4.33Å; V33-I93 HydrophobicContact CG2-CG2 3.53Å; L35-I93 HydrophobicContact CB-CD1 4.43Å; R60-I93 HydrophobicContact CG-CG1 4.39Å; R60-I93 HydrophobicContact CG-CG2 4.43Å; L84-I93 HydrophobicContact CD1-CG2 4.19Å; L84-I93 HydrophobicContact CD2-CD1 4.37Å; L84-I93 HydrophobicContact CD2-CG2 4.34Å; V89-I93 HydrophobicContact CG1-CD1 3.8Å; V89-I93 WeakPolarHBondContact O-CB 3.19Å; V89-I93 WeakPolarHBondContact O-CD1 3.35Å; V89-I93 VanDerWaalsContact O-CG1 3.32Å; V89-I93 WeakPolarHBondContact O-CG1 3.33Å; V89-I93 PolarHBondContact O-N 3.42Å; V89-I93 VanDerWaalsContact O-N 3.07Å; A90-I93 PolarHBondContact O-N 3.11Å; I93-D96 PolarHBondContact O-N 2.88Å; I93-F97 HydrophobicContact CG2-CD2 3.63Å; I93-F97 HydrophobicContact CG2-CE2 3.41Å; I93-F97 VanDerWaalsContact CG2-CE2 3.41Å; I93-F97 HydrophobicContact CG2-CZ 4.47Å; I93-F97 VanDerWaalsContact O-CD2 3.29Å; I93-F97 WeakPolarHBondContact O-CD2 3.24Å; I93-F97 PolarHBondContact O-N 2.8Å; I93-T115 HydrophobicContact CD1-CG2 3.58Å
94	M	98.4	Very high	97.6	Very high	34 Å²	34	48.5 Å²	48.5	17%	0.167	29%	0.294	C	S	.	.	H	α-helix	trans	-66.7	-38.3	179.3	-68.4	-59.6	-66.5	0	0	111.7	L84 A90 F92 F97 L98 V104 W109	L84-M94 HydrophobicContact CD1-CG 4.28Å; L84-M94 HydrophobicContact CD1-SD 3.67Å; A90-M94 WeakPolarHBondContact O-CB 3.3Å; A90-M94 WeakPolarHBondContact O-CG 3.39Å; A90-M94 PolarHBondContact O-N 3.3Å; F92-M94 PolarHBondContact O-N 2.97Å; M94-F97 PolarHBondContact O-N 3.01Å; M94-F97 HydrophobicContact SD-CD2 4.33Å; M94-L98 WeakPolarHBondContact O-CB 3.41Å; M94-L98 VanDerWaalsContact O-CG 3.28Å; M94-L98 WeakPolarHBondContact O-CG 3.01Å; M94-L98 PolarHBondContact O-N 3.46Å; M94-V104 HydrophobicContact CE-CB 3.93Å; M94-V104 HydrophobicContact CE-CG1 4.44Å; M94-V104 HydrophobicContact CE-CG2 3.45Å; M94-V104 VanDerWaalsContact CE-CG2 3.45Å; M94-V104 HydrophobicContact SD-CB 4.45Å; M94-W109 HydrophobicContact CE-CZ2 3.95Å; M94-W109 HydrophobicContact CG-CH2 3.9Å; M94-W109 HydrophobicContact CG-CZ2 4.14Å; M94-W109 HydrophobicContact SD-CH2 4.16Å; M94-W109 HydrophobicContact SD-CZ2 3.9Å
95	A	98.4	Very high	97.6	Very high	57 Å²	57	53 Å²	53	47%	0.471	33%	0.325	S	S	.	.	H	α-helix	trans	-62	-43.3	174.1	0	0	0	0	0	112	D91 F92 L98 Q99	D91-A95 WeakPolarHBondContact O-CB 3.15Å; D91-A95 PolarHBondContact O-N 3.01Å; F92-A95 PolarHBondContact O-N 3.43Å; A95-L98 PolarHBondContact O-N 3.01Å; A95-Q99 WeakPolarHBondContact O-CB 3.37Å; A95-Q99 PolarHBondContact O-N 3.4Å
96	D	98.4	Very high	97.6	Very high	23 Å²	23	53.3 Å²	53.3	12%	0.123	33%	0.328	C	S	.	.	H	α-helix	trans	-69.1	-39.9	177.3	-178.3	86.9	0	0	0	112.4	R60 F92 I93 L98 Q99 R100	R60-D96 HydrophobicContact CB-CB 4.44Å; R60-D96 IonicContact CZ-OD2 3.16Å; R60-D96 IonicContact NE-OD2 3.63Å; R60-D96 PolarHBondContact NE-OD2 3.32Å; R60-D96 IonicContact NH2-OD2 2.84Å; R60-D96 PolarHBondContact NH2-OD2 2.94Å; F92-D96 PolarHBondContact O-N 3.48Å; I93-D96 PolarHBondContact O-N 2.88Å; D96-L98 VanDerWaalsContact C-N 3.33Å; D96-L98 PolarHBondContact O-N 2.81Å; D96-Q99 PolarHBondContact O-N 2.91Å; D96-R100 WeakPolarHBondContact O-CG 3.43Å; D96-R100 PolarHBondContact O-N 3.43Å; D96-R100 IonicContact OD1-NE 3.86Å; D96-R100 PolarHBondContact OD1-NE 2.91Å; D96-R100 IonicContact OD1-NH2 2.91Å; D96-R100 WeakPolarHBondContact OD2-CD 3.42Å; D96-R100 IonicContact OD2-NE 2.85Å; D96-R100 PolarHBondContact OD2-NE 2.93Å
97	F	98.6	Very high	97.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-56.4	-47.3	172.2	-83	-53.8	0	0	0	111.7	V33 R60 F80 I93 M94 R100 A101 I102 V104	V33-F97 HydrophobicContact CB-CE2 4.45Å; V33-F97 HydrophobicContact CB-CZ 4.27Å; V33-F97 HydrophobicContact CG2-CE2 3.87Å; V33-F97 HydrophobicContact CG2-CZ 3.84Å; R60-F97 VanDerWaalsContact CZ-CD1 3.49Å; R60-F97 VanDerWaalsContact CZ-CE1 3.49Å; F80-F97 HydrophobicContact CB-CE1 3.86Å; F80-F97 HydrophobicContact CB-CZ 3.97Å; F80-F97 HydrophobicContact CD1-CE1 4.24Å; F80-F97 AromaticContact CD1-CE2 3.88Å; F80-F97 HydrophobicContact CD1-CE2 3.88Å; F80-F97 AromaticContact CD1-CZ 3.46Å; F80-F97 HydrophobicContact CD1-CZ 3.46Å; F80-F97 VanDerWaalsContact CD1-CZ 3.46Å; F80-F97 HydrophobicContact CD2-CE1 4.38Å; F80-F97 HydrophobicContact CD2-CZ 4.03Å; F80-F97 HydrophobicContact CE1-CE2 4.26Å; F80-F97 AromaticContact CE1-CZ 3.95Å; F80-F97 HydrophobicContact CE1-CZ 3.95Å; F80-F97 HydrophobicContact CE2-CZ 4.46Å; F80-F97 AromaticContact CG-CE1 3.89Å; F80-F97 HydrophobicContact CG-CE1 3.89Å; F80-F97 HydrophobicContact CG-CE2 4.36Å; F80-F97 AromaticContact CG-CZ 3.52Å; F80-F97 HydrophobicContact CG-CZ 3.52Å; F80-F97 HydrophobicContact CZ-CZ 4.43Å; I93-F97 HydrophobicContact CG2-CD2 3.63Å; I93-F97 HydrophobicContact CG2-CE2 3.41Å; I93-F97 VanDerWaalsContact CG2-CE2 3.41Å; I93-F97 HydrophobicContact CG2-CZ 4.47Å; I93-F97 VanDerWaalsContact O-CD2 3.29Å; I93-F97 WeakPolarHBondContact O-CD2 3.24Å; I93-F97 PolarHBondContact O-N 2.8Å; M94-F97 PolarHBondContact O-N 3.01Å; M94-F97 HydrophobicContact SD-CD2 4.33Å; F97-R100 CarbonylContact O-C 3.57Å; F97-R100 PolarHBondContact O-N 2.95Å; F97-A101 PolarHBondContact O-N 2.95Å; F97-A101 VanDerWaalsContact O-N 3.15Å; F97-I102 HydrophobicContact CB-CB 4.47Å; F97-I102 HydrophobicContact CD1-CB 3.8Å; F97-I102 HydrophobicContact CD1-CD1 3.7Å; F97-I102 HydrophobicContact CD1-CG1 4.35Å; F97-I102 HydrophobicContact CD1-CG2 3.65Å; F97-I102 HydrophobicContact CE1-CD1 4.21Å; F97-I102 HydrophobicContact CE1-CG2 4.02Å; F97-I102 PolarHBondContact O-N 2.94Å; F97-V104 HydrophobicContact CB-CG1 3.64Å; F97-V104 HydrophobicContact CD1-CG1 4.1Å; F97-V104 HydrophobicContact CD2-CG1 3.69Å; F97-V104 HydrophobicContact CE2-CG1 4.3Å; F97-V104 HydrophobicContact CG-CG1 3.58Å
98	L	97.7	Very high	97.8	Very high	121 Å²	121	49.1 Å²	49.1	63%	0.634	29%	0.289	S	S	*	.	H	α-helix	trans	-63.8	-43.4	177.4	-72.3	173.6	0	0	0	112.1	M94 A95 D96 R100 A101	M94-L98 WeakPolarHBondContact O-CB 3.41Å; M94-L98 VanDerWaalsContact O-CG 3.28Å; M94-L98 WeakPolarHBondContact O-CG 3.01Å; M94-L98 PolarHBondContact O-N 3.46Å; A95-L98 PolarHBondContact O-N 3.01Å; D96-L98 VanDerWaalsContact C-N 3.33Å; D96-L98 PolarHBondContact O-N 2.81Å; L98-R100 PolarHBondContact O-N 2.81Å; L98-A101 PolarHBondContact O-N 3.2Å
99	Q	97.4	Very high	97.9	Very high	154 Å²	154	50 Å²	50	72%	0.72	28%	0.279	S	S	*	.	H	α-helix	trans	-57.7	-34.1	176.2	179.7	178.8	-10.6	0	0	111.8	A95 D96	A95-Q99 WeakPolarHBondContact O-CB 3.37Å; A95-Q99 PolarHBondContact O-N 3.4Å; D96-Q99 PolarHBondContact O-N 2.91Å
100	R	97.3	Very high	97.8	Very high	35 Å²	35	50.2 Å²	50.2	13%	0.132	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93	9.2	178.8	-64.4	179.3	-175.6	-76.7	-6.3	113.4	R60 S72 D96 F97 L98 I102 D316	R60-R100 VanDerWaalsContact NH2-CD 3.29Å; S72-R100 WeakPolarHBondContact CB-O 3.24Å; S72-R100 PolarHBondContact OG-O 2.89Å; D96-R100 WeakPolarHBondContact O-CG 3.43Å; D96-R100 PolarHBondContact O-N 3.43Å; D96-R100 IonicContact OD1-NE 3.86Å; D96-R100 PolarHBondContact OD1-NE 2.91Å; D96-R100 IonicContact OD1-NH2 2.91Å; D96-R100 WeakPolarHBondContact OD2-CD 3.42Å; D96-R100 IonicContact OD2-NE 2.85Å; D96-R100 PolarHBondContact OD2-NE 2.93Å; F97-R100 CarbonylContact O-C 3.57Å; F97-R100 PolarHBondContact O-N 2.95Å; L98-R100 PolarHBondContact O-N 2.81Å; R100-I102 HydrophobicContact CB-CD1 3.81Å; R100-I102 HydrophobicContact CB-CG1 4.07Å; R100-I102 PolarHBondContact O-N 3.49Å; R100-D316 IonicContact CZ-OD1 3.97Å; R100-D316 VanDerWaalsContact CZ-OD1 3.32Å; R100-D316 IonicContact NH1-OD1 3.6Å; R100-D316 PolarHBondContact NH1-OD1 3.4Å; R100-D316 IonicContact NH2-OD1 3.31Å; R100-D316 PolarHBondContact NH2-OD1 2.74Å; R100-D316 IonicContact NH2-OD2 3.63Å
101	A	97.4	Very high	97.6	Very high	84 Å²	84	57.1 Å²	57.1	69%	0.694	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	36.8	-179.9	0	0	0	0	0	113.6	F97 L98	F97-A101 PolarHBondContact O-N 2.95Å; F97-A101 VanDerWaalsContact O-N 3.15Å; L98-A101 PolarHBondContact O-N 3.2Å
102	I	98.6	Very high	97.2	Very high	5 Å²	5	60.3 Å²	60.3	3%	0.026	33%	0.328	C	S	.	.			trans	-88.8	129.3	174.8	-62.9	163.1	0	0	0	108	C68 F80 F97 R100 V104	C68-I102 HydrophobicContact CB-CD1 3.79Å; C68-I102 HydrophobicContact CB-CG1 4.2Å; C68-I102 HydrophobicContact CB-CG2 3.94Å; F80-I102 HydrophobicContact CB-CG2 4.08Å; F97-I102 HydrophobicContact CB-CB 4.47Å; F97-I102 HydrophobicContact CD1-CB 3.8Å; F97-I102 HydrophobicContact CD1-CD1 3.7Å; F97-I102 HydrophobicContact CD1-CG1 4.35Å; F97-I102 HydrophobicContact CD1-CG2 3.65Å; F97-I102 HydrophobicContact CE1-CD1 4.21Å; F97-I102 HydrophobicContact CE1-CG2 4.02Å; F97-I102 PolarHBondContact O-N 2.94Å; R100-I102 HydrophobicContact CB-CD1 3.81Å; R100-I102 HydrophobicContact CB-CG1 4.07Å; R100-I102 PolarHBondContact O-N 3.49Å; I102-V104 PolarHBondContact O-N 2.78Å
103	D	98.6	Very high	96.9	Very high	45 Å²	45	58.9 Å²	58.9	24%	0.241	33%	0.331	C	S	.	.	B	Isolated β-bridge	trans	-72.6	127.3	176.7	-176.3	2.9	0	0	0	110.7	K26 C78 A79 F80 S105	K26-D103 HydrophobicContact CD-CB 4.39Å; K26-D103 IonicContact NZ-OD2 2.65Å; K26-D103 PolarHBondContact NZ-OD2 3.48Å; C78-D103 PolarHBondContact O-N 2.94Å; A79-D103 CarbonylContact C-O 3.56Å; A79-D103 WeakPolarHBondContact CA-O 3.31Å; A79-D103 HydrophobicContact CB-CB 3.84Å; F80-D103 PolarHBondContact N-O 2.7Å; D103-S105 WeakPolarHBondContact OD1-CB 3.48Å; D103-S105 PolarHBondContact OD1-N 3.44Å; D103-S105 PolarHBondContact OD1-OG 2.79Å
104	V	98.3	Very high	96.6	Very high	22 Å²	22	64.9 Å²	64.9	13%	0.133	36%	0.359	C	S	.	.			trans	-120.7	14.3	-175.8	-70	0	0	0	0	111.9	M94 F97 I102 A106 V107	M94-V104 HydrophobicContact CE-CB 3.93Å; M94-V104 HydrophobicContact CE-CG1 4.44Å; M94-V104 HydrophobicContact CE-CG2 3.45Å; M94-V104 VanDerWaalsContact CE-CG2 3.45Å; M94-V104 HydrophobicContact SD-CB 4.45Å; F97-V104 HydrophobicContact CB-CG1 3.64Å; F97-V104 HydrophobicContact CD1-CG1 4.1Å; F97-V104 HydrophobicContact CD2-CG1 3.69Å; F97-V104 HydrophobicContact CE2-CG1 4.3Å; F97-V104 HydrophobicContact CG-CG1 3.58Å; I102-V104 PolarHBondContact O-N 2.78Å; V104-A106 PolarHBondContact O-N 3.05Å; V104-A106 VanDerWaalsContact O-N 3.14Å; V104-V107 HydrophobicContact CB-CG2 3.9Å; V104-V107 HydrophobicContact CG1-CG2 4.35Å; V104-V107 WeakPolarHBondContact O-CB 3.42Å; V104-V107 WeakPolarHBondContact O-CG2 3.06Å; V104-V107 PolarHBondContact O-N 2.82Å; V104-V107 VanDerWaalsContact O-N 3.16Å
105	S	97.4	Very high	96.4	Very high	94 Å²	94	63.7 Å²	63.7	66%	0.657	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-18.8	178.7	75.9	0	0	0	0	113.4	D103	D103-S105 WeakPolarHBondContact OD1-CB 3.48Å; D103-S105 PolarHBondContact OD1-N 3.44Å; D103-S105 PolarHBondContact OD1-OG 2.79Å
106	A	97.6	Very high	96.3	Very high	13 Å²	13	61.1 Å²	61.1	11%	0.107	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	2	180	0	0	0	0	0	113.7	M81 V104 A108 I149	M81-A106 HydrophobicContact CB-CB 3.95Å; M81-A106 HydrophobicContact CG-CB 4.3Å; M81-A106 WeakPolarHBondContact CG-O 3.45Å; M81-A106 HydrophobicContact SD-CB 4.3Å; V104-A106 PolarHBondContact O-N 3.05Å; V104-A106 VanDerWaalsContact O-N 3.14Å; A106-A108 PolarHBondContact O-N 3.14Å; A106-I149 HydrophobicContact CB-CG2 4.15Å
107	V	97.9	Very high	96.1	Very high	13 Å²	13	62 Å²	62	8%	0.079	34%	0.34	C	S	.	.			trans	-59.8	131.8	176.6	167.3	0	0	0	0	110.9	F80 L84 V104 W109	F80-V107 HydrophobicContact CD1-CG2 4.05Å; F80-V107 HydrophobicContact CE1-CG2 4.48Å; L84-V107 HydrophobicContact CB-CG1 3.91Å; L84-V107 HydrophobicContact CD1-CG1 3.88Å; L84-V107 HydrophobicContact CD1-CG2 4.43Å; L84-V107 HydrophobicContact CG-CG1 4.05Å; V104-V107 HydrophobicContact CB-CG2 3.9Å; V104-V107 HydrophobicContact CG1-CG2 4.35Å; V104-V107 WeakPolarHBondContact O-CB 3.42Å; V104-V107 WeakPolarHBondContact O-CG2 3.06Å; V104-V107 PolarHBondContact O-N 2.82Å; V104-V107 VanDerWaalsContact O-N 3.16Å; V107-W109 HydrophobicContact CG1-CD2 4.13Å; V107-W109 HydrophobicContact CG1-CG 4.27Å; V107-W109 HydrophobicContact CG1-CZ2 4.26Å; V107-W109 PolarHBondContact O-N 3.46Å
108	A	97.4	Very high	96	Very high	11 Å²	11	62 Å²	62	9%	0.091	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	98.2	174.5	0	0	0	0	0	110	G82 S83 L84 A106 Q110 V141	G82-A108 PolarHBondContact O-N 2.55Å; S83-A108 WeakPolarHBondContact CA-O 3.45Å; L84-A108 PolarHBondContact N-O 2.65Å; L84-A108 VanDerWaalsContact N-O 3.14Å; A106-A108 PolarHBondContact O-N 3.14Å; A108-Q110 PolarHBondContact O-N 2.9Å; A108-Q110 PolarHBondContact O-NE2 3.34Å; A108-V141 HydrophobicContact CB-CG2 4.12Å
109	W	97.2	Very high	95.9	Very high	128 Å²	128	59.7 Å²	59.7	49%	0.485	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121	179.5	-71.6	97.9	0	0	0	112	L84 A90 M94 V107	L84-W109 HydrophobicContact CB-CE3 3.96Å; L84-W109 HydrophobicContact CB-CH2 4.25Å; L84-W109 HydrophobicContact CB-CZ3 3.81Å; L84-W109 HydrophobicContact CD1-CH2 4.22Å; L84-W109 CarbonylContact O-C 3.53Å; L84-W109 WeakPolarHBondContact O-CA 3.23Å; A90-W109 HydrophobicContact CB-CH2 4.34Å; A90-W109 HydrophobicContact CB-CZ3 4.13Å; M94-W109 HydrophobicContact CE-CZ2 3.95Å; M94-W109 HydrophobicContact CG-CH2 3.9Å; M94-W109 HydrophobicContact CG-CZ2 4.14Å; M94-W109 HydrophobicContact SD-CH2 4.16Å; M94-W109 HydrophobicContact SD-CZ2 3.9Å; V107-W109 HydrophobicContact CG1-CD2 4.13Å; V107-W109 HydrophobicContact CG1-CG 4.27Å; V107-W109 HydrophobicContact CG1-CZ2 4.26Å; V107-W109 PolarHBondContact O-N 3.46Å
110	Q	96.3	Very high	95.7	Very high	43 Å²	43	52.4 Å²	52.4	20%	0.201	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	140.4	178.4	-54	-56.8	-30.9	0	0	110.6	S83 L84 A85 A108 K112 L138 P139	S83-Q110 PolarHBondContact OG-NE2 3.19Å; L84-Q110 PolarHBondContact O-N 3.37Å; A85-Q110 HydrophobicContact CB-CB 4.4Å; A108-Q110 PolarHBondContact O-N 2.9Å; A108-Q110 PolarHBondContact O-NE2 3.34Å; Q110-K112 VanDerWaalsContact C-N 3.34Å; Q110-L138 HydrophobicContact CB-CD2 4.12Å; Q110-L138 HydrophobicContact CG-CD1 4.4Å; Q110-L138 HydrophobicContact CG-CD2 4.25Å; Q110-P139 HydrophobicContact CG-CG 4.28Å
111	V	91.9	Very high	95.5	Very high	145 Å²	145	52.1 Å²	52.1	88%	0.879	30%	0.302	S	S	*	.	S	Bend	trans	-74.1	-27.9	-178.6	-178.8	0	0	0	0	111.9
112	K	89.8	Confident	95.2	Very high	175 Å²	175	48.4 Å²	48.4	76%	0.761	27%	0.27	S	S	*	.	S	Bend	trans	-140.7	163.4	-177.3	-65.2	-174.6	-179.3	179.9	0	110.5	Q110 L138	Q110-K112 VanDerWaalsContact C-N 3.34Å; K112-L138 WeakPolarHBondContact O-CD2 3.45Å
113	G	91.9	Very high	94.7	Very high	34 Å²	34	48.4 Å²	48.4	35%	0.351	27%	0.271	S	S	.	.	S	Bend	trans	98.1	-177.4	179.5	0	0	0	0	0	112.4	A85 D137	A85-G113 VanDerWaalsContact CB-O 3.24Å; A85-G113 WeakPolarHBondContact CB-O 3.43Å; G113-D137 VanDerWaalsContact C-OD2 3.27Å; G113-D137 WeakPolarHBondContact CA-OD2 3.47Å
114	Q	91.6	Very high	94	Very high	126 Å²	126	48.7 Å²	48.7	59%	0.589	28%	0.275	S	S	*	.			trans	-119.3	130	-174.6	-62.8	-173.2	-0.7	0	0	110.6	D137 L138	Q114-D137 PolarHBondContact N-OD2 3.43Å; Q114-L138 WeakPolarHBondContact O-CG 3.41Å
115	T	94.6	Very high	93.2	Very high	9 Å²	9	52.2 Å²	52.2	6%	0.055	30%	0.301	C	S	.	.			trans	-57	134.3	172.3	-66.6	0	0	0	0	110.5	L84 A85 V89 I93	L84-T115 HydrophobicContact CD2-CG2 3.3Å; A85-T115 PolarHBondContact N-OG1 2.83Å; A85-T115 PolarHBondContact O-OG1 3.42Å; V89-T115 HydrophobicContact CB-CG2 4.42Å; V89-T115 HydrophobicContact CG1-CG2 3.6Å; I93-T115 HydrophobicContact CD1-CG2 3.58Å
116	P	95.6	Very high	92.5	Very high	4 Å²	4	51.2 Å²	51.2	3%	0.026	29%	0.293	C	S	.	.			trans	-54.9	144.7	-176	-30.7	37.8	0	0	0	114.2	L32 C34 L35 Y134 D135	L32-P116 HydrophobicContact CD1-CB 4.15Å; L32-P116 HydrophobicContact CD1-CG 3.83Å; C34-P116 CarbonylContact C-O 3.56Å; C34-P116 VanDerWaalsContact CA-O 3.23Å; C34-P116 WeakPolarHBondContact CA-O 3.5Å; C34-P116 HydrophobicContact CB-CB 3.77Å; C34-P116 WeakPolarHBondContact CB-O 3.41Å; L35-P116 PolarHBondContact N-O 2.83Å; P116-Y134 VanDerWaalsContact CA-O 3.22Å; P116-Y134 WeakPolarHBondContact CA-O 3.32Å; P116-Y134 WeakPolarHBondContact CB-O 3.5Å; P116-D135 HydrophobicContact CB-CB 4.07Å; P116-D135 HydrophobicContact CG-CB 4.18Å
117	S	95.7	Very high	91.4	Very high	40 Å²	40	51.6 Å²	51.6	28%	0.28	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	154.9	172.2	63.3	0	0	0	0	110.7	L35 Y134	L35-S117 CarbonylContact O-C 3.58Å; L35-S117 WeakPolarHBondContact O-CA 3.49Å; L35-S117 WeakPolarHBondContact O-CB 3.29Å; S117-Y134 PolarHBondContact N-O 3.37Å; S117-Y134 PolarHBondContact O-N 3.06Å
118	A	95.6	Very high	90.7	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	139.2	179.6	0	0	0	0	0	111.1	L35 I37 V131 L132 L133	L35-A118 PolarHBondContact O-N 3.12Å; I37-A118 PolarHBondContact N-O 2.86Å; A118-V131 HydrophobicContact CB-CG1 3.91Å; A118-L132 CarbonylContact C-O 3.45Å; A118-L132 WeakPolarHBondContact CA-O 3.27Å; A118-L133 HydrophobicContact CB-CD1 3.99Å
119	C	95.6	Very high	90.2	Very high	72 Å²	72	58 Å²	58	49%	0.486	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	116.6	165.2	-70.3	0	0	0	0	108.2	L132	C119-L132 HydrophobicContact CB-CB 4.36Å; C119-L132 PolarHBondContact N-O 3.1Å; C119-L132 PolarHBondContact O-N 2.93Å
120	C	94.4	Very high	89.9	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.014	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.9	-177.2	-63.6	0	0	0	0	109.5	I37 I38 S39 T130	I37-C120 PolarHBondContact O-N 3.1Å; I38-C120 WeakPolarHBondContact CA-O 3.5Å; I38-C120 HydrophobicContact CB-CB 4.32Å; I38-C120 HydrophobicContact CG1-CB 3.92Å; I38-C120 HydrophobicContact CG2-CB 4.41Å; S39-C120 PolarHBondContact N-O 3.06Å; C120-T130 WeakPolarHBondContact CA-O 3.23Å
121	V	92.9	Very high	89.6	Confident	29 Å²	29	56.1 Å²	56.1	18%	0.176	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	123.1	169.5	-178.7	0	0	0	0	107.9	S39 V41 Y44 R129 T130	S39-V121 WeakPolarHBondContact O-CA 3.46Å; V41-V121 HydrophobicContact CG1-CG1 4.37Å; V41-V121 HydrophobicContact CG2-CG1 3.64Å; Y44-V121 HydrophobicContact CD1-CG1 4.13Å; Y44-V121 HydrophobicContact CE1-CB 4.21Å; Y44-V121 HydrophobicContact CE1-CG1 3.87Å; V121-R129 CarbonylContact O-C 3.58Å; V121-R129 VanDerWaalsContact O-CA 3.24Å; V121-R129 WeakPolarHBondContact O-CA 3.48Å; V121-T130 PolarHBondContact N-O 3.24Å; V121-T130 PolarHBondContact O-N 2.93Å
122	V	89.9	Confident	89.7	Confident	6 Å²	6	54.6 Å²	54.6	4%	0.036	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.3	178.7	177.8	0	0	0	0	109	I38 S39 V40 V41 R129	I38-V122 HydrophobicContact CG2-CB 4.47Å; I38-V122 HydrophobicContact CG2-CG2 3.72Å; S39-V122 PolarHBondContact O-N 3.26Å; V40-V122 WeakPolarHBondContact CA-O 3.46Å; V41-V122 PolarHBondContact N-O 2.69Å; V122-R129 HydrophobicContact CG2-CB 4.19Å
123	C	88.6	Confident	89.8	Confident	4 Å²	4	49.6 Å²	49.6	3%	0.027	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	97.3	-179.5	-171.1	0	0	0	0	109.3	V41 E42 Y44 S125 S126 G127 S128	V41-C123 HydrophobicContact CG2-CB 4.23Å; E42-C123 PolarHBondContact O-SG 2.98Å; Y44-C123 HydrophobicContact CD2-CB 3.73Å; Y44-C123 HydrophobicContact CE2-CB 3.38Å; C123-S125 VanDerWaalsContact C-N 3.26Å; C123-S125 PolarHBondContact O-N 3.3Å; C123-S125 PolarHBondContact SG-OG 3.21Å; C123-S126 WeakPolarHBondContact CB-OG 3.43Å; C123-S126 PolarHBondContact O-N 3.38Å; C123-S126 PolarHBondContact O-OG 2.86Å; C123-G127 WeakPolarHBondContact O-CA 3.43Å; C123-G127 PolarHBondContact O-N 3.1Å; C123-S128 PolarHBondContact N-O 2.89Å; C123-S128 PolarHBondContact O-N 3.37Å
124	P	83.2	Confident	89.6	Confident	51 Å²	51	53.1 Å²	53.1	33%	0.331	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-31.5	-176.8	-25.3	35.9	0	0	0	113.6	V40 V41 S126 G127	V40-P124 HydrophobicContact CG1-CG 3.76Å; V41-P124 VanDerWaalsContact O-CD 3.28Å; V41-P124 WeakPolarHBondContact O-CD 3.29Å; P124-S126 VanDerWaalsContact C-N 3.3Å; P124-S126 PolarHBondContact O-N 3.26Å; P124-G127 PolarHBondContact O-N 2.98Å
125	S	82.8	Confident	89.2	Confident	97 Å²	97	49.2 Å²	49.2	68%	0.678	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-36.5	179.9	60.2	0	0	0	0	112.6	E42 C123	E42-S125 PolarHBondContact O-OG 3.27Å; C123-S125 VanDerWaalsContact C-N 3.26Å; C123-S125 PolarHBondContact O-N 3.3Å; C123-S125 PolarHBondContact SG-OG 3.21Å
126	S	81.5	Confident	88.4	Confident	72 Å²	72	54.2 Å²	54.2	50%	0.503	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	-11.7	173.5	63.1	0	0	0	0	113.7	C123 P124 S128	C123-S126 WeakPolarHBondContact CB-OG 3.43Å; C123-S126 PolarHBondContact O-N 3.38Å; C123-S126 PolarHBondContact O-OG 2.86Å; P124-S126 VanDerWaalsContact C-N 3.3Å; P124-S126 PolarHBondContact O-N 3.26Å; S126-S128 PolarHBondContact O-N 2.9Å; S126-S128 PolarHBondContact OG-N 3.38Å; S126-S128 PolarHBondContact OG-OG 3.47Å
127	G	75	Confident	87.6	Confident	21 Å²	21	57.2 Å²	57.2	22%	0.216	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.3	8	-172.5	0	0	0	0	0	114.7	C123 P124	C123-G127 WeakPolarHBondContact O-CA 3.43Å; C123-G127 PolarHBondContact O-N 3.1Å; P124-G127 PolarHBondContact O-N 2.98Å
128	S	82.9	Confident	87.4	Confident	46 Å²	46	56.1 Å²	56.1	32%	0.322	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	162.5	-174.6	70.7	0	0	0	0	113	Y44 C123 S126	Y44-S128 WeakPolarHBondContact CE2-OG 3.31Å; Y44-S128 PolarHBondContact OH-OG 3.16Å; C123-S128 PolarHBondContact N-O 2.89Å; C123-S128 PolarHBondContact O-N 3.37Å; S126-S128 PolarHBondContact O-N 2.9Å; S126-S128 PolarHBondContact OG-N 3.38Å; S126-S128 PolarHBondContact OG-OG 3.47Å
129	R	87	Confident	87.3	Confident	114 Å²	114	59.5 Å²	59.5	43%	0.43	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	147.3	171.6	71.1	-178.1	-170.9	-84.2	-4.4	110.5	Y44 V121 V122 T274	Y44-R129 WeakPolarHBondContact OH-CA 3.5Å; V121-R129 CarbonylContact O-C 3.58Å; V121-R129 VanDerWaalsContact O-CA 3.24Å; V121-R129 WeakPolarHBondContact O-CA 3.48Å; V122-R129 HydrophobicContact CG2-CB 4.19Å; R129-T274 PolarHBondContact NH1-O 3.39Å; R129-T274 PolarHBondContact NH1-OG1 2.92Å
130	T	90.7	Very high	87.3	Confident	62 Å²	62	58.8 Å²	58.8	38%	0.38	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	131.3	170.6	-58.4	0	0	0	0	108.5	Y44 C120 V121 L132	Y44-T130 WeakPolarHBondContact CE1-OG1 3.39Å; Y44-T130 PolarHBondContact OH-N 3.15Å; Y44-T130 VanDerWaalsContact OH-N 3.16Å; Y44-T130 PolarHBondContact OH-OG1 3.29Å; C120-T130 WeakPolarHBondContact CA-O 3.23Å; V121-T130 PolarHBondContact N-O 3.24Å; V121-T130 PolarHBondContact O-N 2.93Å; T130-L132 HydrophobicContact CG2-CD1 4.06Å
131	V	91.4	Very high	87.5	Confident	68 Å²	68	59.1 Å²	59.1	41%	0.412	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	118.3	-175.6	-178.2	0	0	0	0	108.4	A118 L133 L275	A118-V131 HydrophobicContact CB-CG1 3.91Å; V131-L133 HydrophobicContact CG1-CB 4.47Å; V131-L275 HydrophobicContact CG2-CD1 4.4Å
132	L	92.7	Very high	87.7	Confident	113 Å²	113	59.8 Å²	59.8	59%	0.592	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	100.1	170.3	-70.6	81.7	0	0	0	107.2	A118 C119 T130	A118-L132 CarbonylContact C-O 3.45Å; A118-L132 WeakPolarHBondContact CA-O 3.27Å; C119-L132 HydrophobicContact CB-CB 4.36Å; C119-L132 PolarHBondContact N-O 3.1Å; C119-L132 PolarHBondContact O-N 2.93Å; T130-L132 HydrophobicContact CG2-CD1 4.06Å
133	L	91.6	Very high	88.1	Confident	71 Å²	71	60 Å²	60	37%	0.372	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	133.7	-175.7	179.1	64.2	0	0	0	111.1	L32 C34 A118 V131 D135	L32-L133 HydrophobicContact CD2-CD2 4.22Å; C34-L133 HydrophobicContact CB-CD1 4.41Å; A118-L133 HydrophobicContact CB-CD1 3.99Å; V131-L133 HydrophobicContact CG1-CB 4.47Å; L133-D135 HydrophobicContact CD1-CB 4.13Å; L133-D135 HydrophobicContact CD2-CB 3.94Å; L133-D135 HydrophobicContact CG-CB 3.85Å
134	Y	88.5	Confident	88.6	Confident	107 Å²	107	65.7 Å²	65.7	42%	0.42	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	100.7	165.2	-174.3	-103.7	0	0	0	109.2	P116 S117 D137	P116-Y134 VanDerWaalsContact CA-O 3.22Å; P116-Y134 WeakPolarHBondContact CA-O 3.32Å; P116-Y134 WeakPolarHBondContact CB-O 3.5Å; S117-Y134 PolarHBondContact N-O 3.37Å; S117-Y134 PolarHBondContact O-N 3.06Å; Y134-D137 HydrophobicContact CE1-CB 4.04Å
135	D	82.7	Confident	89.3	Confident	44 Å²	44	64.7 Å²	64.7	24%	0.235	36%	0.363	C	S	.	.			trans	-132	16	-176.6	73.4	-28	0	0	0	114.1	L32 P116 L133 R162	L32-D135 HydrophobicContact CD1-CB 4.4Å; P116-D135 HydrophobicContact CB-CB 4.07Å; P116-D135 HydrophobicContact CG-CB 4.18Å; L133-D135 HydrophobicContact CD1-CB 4.13Å; L133-D135 HydrophobicContact CD2-CB 3.94Å; L133-D135 HydrophobicContact CG-CB 3.85Å; D135-R162 IonicContact OD2-CZ 2.7Å; D135-R162 IonicContact OD2-NH1 3.11Å; D135-R162 IonicContact OD2-NH2 3.27Å; D135-R162 PolarHBondContact OD2-NH2 2.94Å
136	T	77.8	Confident	90	Very high	114 Å²	114	60.1 Å²	60.1	70%	0.699	33%	0.331	S	S	*	.			trans	-94.7	-2.9	-170.2	53.6	0	0	0	0	115
137	D	80	Confident	90.8	Very high	67 Å²	67	60 Å²	60	36%	0.358	33%	0.33	S	S	.	.	S	Bend	trans	-93.2	-27	-170.7	-161.8	37.4	0	0	0	114	G113 Q114 Y134	G113-D137 VanDerWaalsContact C-OD2 3.27Å; G113-D137 WeakPolarHBondContact CA-OD2 3.47Å; Q114-D137 PolarHBondContact N-OD2 3.43Å; Y134-D137 HydrophobicContact CE1-CB 4.04Å
138	L	91.1	Very high	91.8	Very high	18 Å²	18	66.7 Å²	66.7	9%	0.094	35%	0.349	C	S	.	.	S	Bend	trans	-98.4	139.8	177.1	-60.2	-170.3	0	0	0	111.4	A85 Q110 K112 Q114	A85-L138 HydrophobicContact CB-CD1 4.1Å; A85-L138 HydrophobicContact CB-CD2 3.76Å; Q110-L138 HydrophobicContact CB-CD2 4.12Å; Q110-L138 HydrophobicContact CG-CD1 4.4Å; Q110-L138 HydrophobicContact CG-CD2 4.25Å; K112-L138 WeakPolarHBondContact O-CD2 3.45Å; Q114-L138 WeakPolarHBondContact O-CG 3.41Å
139	P	93.7	Very high	92.5	Very high	71 Å²	71	65.9 Å²	65.9	46%	0.461	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-64.8	141	166.9	29.4	-34	0	0	0	109.9	S83 Q110	S83-P139 VanDerWaalsContact CB-O 3.24Å; S83-P139 WeakPolarHBondContact CB-O 3.44Å; S83-P139 PolarHBondContact OG-O 3.24Å; Q110-P139 HydrophobicContact CG-CG 4.28Å
140	D	95.5	Very high	93	Very high	58 Å²	58	64.4 Å²	64.4	31%	0.31	34%	0.341	S	S	.	.	P	Polyproline II helix	trans	-63.8	159.1	169.3	-71.9	-59.3	0	0	0	110.9	R162 N163	D140-R162 IonicContact OD1-CZ 2.69Å; D140-R162 IonicContact OD1-NE 3.73Å; D140-R162 PolarHBondContact OD1-NE 3.39Å; D140-R162 IonicContact OD1-NH2 2.73Å; D140-N163 HydrophobicContact CB-CB 4Å; D140-N163 VanDerWaalsContact CB-CG 3.46Å; D140-N163 VanDerWaalsContact CB-ND2 3.28Å; D140-N163 WeakPolarHBondContact CB-ND2 3.38Å
141	V	97.2	Very high	93.3	Very high	9 Å²	9	62.4 Å²	62.4	6%	0.055	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-55.7	137.2	175	176.6	0	0	0	0	110.5	M81 A108 D145 N163 M170	M81-V141 HydrophobicContact CE-CG1 3.36Å; M81-V141 HydrophobicContact CG-CG1 4.09Å; M81-V141 HydrophobicContact CG-CG2 4.22Å; M81-V141 HydrophobicContact SD-CG1 4.17Å; A108-V141 HydrophobicContact CB-CG2 4.12Å; V141-D145 HydrophobicContact CG1-CB 4.06Å; V141-N163 PolarHBondContact O-ND2 3.19Å; V141-M170 HydrophobicContact CB-CE 4.29Å; V141-M170 HydrophobicContact CG1-CE 3.92Å; V141-M170 WeakPolarHBondContact O-CE 3.46Å
142	T	98.2	Very high	93.6	Very high	43 Å²	43	61.4 Å²	61.4	26%	0.264	33%	0.327	S	S	.	.	P	Polyproline II helix	trans	-101.5	163.2	179.8	69.2	0	0	0	0	112.6	E144 D145 F146 E166 M170	T142-E144 PolarHBondContact O-N 3.46Å; T142-E144 PolarHBondContact OG1-N 3.07Å; T142-D145 PolarHBondContact N-OD2 2.95Å; T142-D145 VanDerWaalsContact N-OD2 3.15Å; T142-D145 PolarHBondContact O-N 3.33Å; T142-D145 VanDerWaalsContact OG1-CG 3.28Å; T142-D145 PolarHBondContact OG1-N 3.46Å; T142-D145 PolarHBondContact OG1-OD2 2.73Å; T142-F146 PolarHBondContact O-N 2.69Å; T142-E166 WeakPolarHBondContact CB-OE2 3.43Å; T142-M170 WeakPolarHBondContact O-CE 3.47Å
143	A	98.3	Very high	93.8	Very high	10 Å²	10	59.7 Å²	59.7	8%	0.083	32%	0.316	C	S	.	.	H	α-helix	trans	-62.5	-24.4	173.6	0	0	0	0	0	112.6	S147 E166 K169 M170 Q173	A143-S147 PolarHBondContact O-N 3.28Å; A143-S147 VanDerWaalsContact O-N 3.1Å; A143-E166 WeakPolarHBondContact CB-OE2 3.12Å; A143-E166 PolarHBondContact N-OE2 3.25Å; A143-K169 HydrophobicContact CB-CB 3.7Å; A143-K169 HydrophobicContact CB-CD 4.2Å; A143-M170 HydrophobicContact CB-CG 4.25Å; A143-Q173 PolarHBondContact O-NE2 2.99Å
144	E	98.1	Very high	94.1	Very high	123 Å²	123	56.5 Å²	56.5	58%	0.575	30%	0.299	S	S	*	.	H	α-helix	trans	-70	-46.9	172.7	-168.7	-169.4	147.4	0	0	111.1	T142 F146 S147 R148	T142-E144 PolarHBondContact O-N 3.46Å; T142-E144 PolarHBondContact OG1-N 3.07Å; E144-F146 VanDerWaalsContact C-N 3.3Å; E144-F146 PolarHBondContact O-N 2.79Å; E144-S147 WeakPolarHBondContact O-CB 3.3Å; E144-S147 PolarHBondContact O-N 3.39Å; E144-S147 VanDerWaalsContact O-N 3.16Å; E144-S147 PolarHBondContact O-OG 3.09Å; E144-R148 IonicContact OE1-CZ 2.92Å; E144-R148 IonicContact OE1-NH2 2.74Å; E144-R148 PolarHBondContact OE1-NH2 3.41Å
145	D	97.8	Very high	94.5	Very high	30 Å²	30	54 Å²	54	16%	0.16	29%	0.291	C	S	.	.	H	α-helix	trans	-60.3	-43.4	176.2	-60.3	-51.7	0	0	0	111	M81 V141 T142 S147 R148	M81-D145 HydrophobicContact CE-CB 3.99Å; V141-D145 HydrophobicContact CG1-CB 4.06Å; T142-D145 PolarHBondContact N-OD2 2.95Å; T142-D145 VanDerWaalsContact N-OD2 3.15Å; T142-D145 PolarHBondContact O-N 3.33Å; T142-D145 VanDerWaalsContact OG1-CG 3.28Å; T142-D145 PolarHBondContact OG1-N 3.46Å; T142-D145 PolarHBondContact OG1-OD2 2.73Å; D145-S147 VanDerWaalsContact C-N 3.29Å; D145-S147 PolarHBondContact O-N 3.15Å; D145-R148 WeakPolarHBondContact O-CB 3.46Å; D145-R148 PolarHBondContact O-N 3.42Å; D145-R148 IonicContact OD1-CZ 2.97Å; D145-R148 IonicContact OD1-NH1 3.98Å; D145-R148 PolarHBondContact OD1-NH1 2.85Å; D145-R148 IonicContact OD1-NH2 3.71Å
146	F	98.6	Very high	95.3	Very high	1 Å²	1	53.1 Å²	53.1	0%	0.004	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-35.5	176.8	-170.9	-95.2	0	0	0	112.5	L28 V30 M81 T142 E144 R148 I149 L151 I157 W159 M170 Q173 V174	L28-F146 HydrophobicContact CD2-CE2 4.15Å; V30-F146 HydrophobicContact CG2-CE2 4.27Å; M81-F146 HydrophobicContact CE-CB 4.15Å; M81-F146 HydrophobicContact CE-CD2 4.39Å; M81-F146 HydrophobicContact SD-CD2 3.76Å; T142-F146 PolarHBondContact O-N 2.69Å; E144-F146 VanDerWaalsContact C-N 3.3Å; E144-F146 PolarHBondContact O-N 2.79Å; F146-R148 PolarHBondContact O-N 2.77Å; F146-I149 HydrophobicContact CD1-CD1 4.44Å; F146-I149 HydrophobicContact CD2-CD1 3.69Å; F146-I149 HydrophobicContact CE1-CD1 4.16Å; F146-I149 HydrophobicContact CE2-CD1 3.34Å; F146-I149 HydrophobicContact CG-CD1 4.23Å; F146-I149 HydrophobicContact CZ-CD1 3.6Å; F146-I149 VanDerWaalsContact O-CG1 3.3Å; F146-I149 WeakPolarHBondContact O-CG1 3.36Å; F146-I149 PolarHBondContact O-N 2.9Å; F146-I149 VanDerWaalsContact O-N 3.12Å; F146-L151 HydrophobicContact CE1-CD2 4.03Å; F146-L151 HydrophobicContact CZ-CD2 3.91Å; F146-I157 HydrophobicContact CZ-CD1 4.11Å; F146-W159 AromaticContact CE2-CZ2 3.84Å; F146-W159 HydrophobicContact CE2-CZ2 3.84Å; F146-W159 HydrophobicContact CZ-CH2 4.35Å; F146-W159 AromaticContact CZ-CZ2 3.69Å; F146-W159 HydrophobicContact CZ-CZ2 3.69Å; F146-M170 HydrophobicContact CB-CB 4.34Å; F146-M170 HydrophobicContact CB-CG 3.67Å; F146-M170 HydrophobicContact CB-SD 4.1Å; F146-M170 HydrophobicContact CD1-CB 3.77Å; F146-M170 HydrophobicContact CD1-CG 4.06Å; F146-M170 HydrophobicContact CD2-CB 4.24Å; F146-M170 HydrophobicContact CD2-CG 4.22Å; F146-M170 HydrophobicContact CD2-SD 4.13Å; F146-M170 HydrophobicContact CE1-CB 4.09Å; F146-M170 HydrophobicContact CG-CB 3.86Å; F146-M170 HydrophobicContact CG-CG 3.73Å; F146-M170 HydrophobicContact CG-SD 4.18Å; F146-M170 HydrophobicContact CZ-CB 4.47Å; F146-Q173 HydrophobicContact CE1-CB 4.45Å; F146-V174 HydrophobicContact CE1-CG2 3.75Å; F146-V174 HydrophobicContact CZ-CG2 3.67Å
147	S	98.1	Very high	96.3	Very high	70 Å²	70	47.7 Å²	47.7	49%	0.49	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-14.1	-179.9	76.6	0	0	0	0	114.6	A143 E144 D145	A143-S147 PolarHBondContact O-N 3.28Å; A143-S147 VanDerWaalsContact O-N 3.1Å; E144-S147 WeakPolarHBondContact O-CB 3.3Å; E144-S147 PolarHBondContact O-N 3.39Å; E144-S147 VanDerWaalsContact O-N 3.16Å; E144-S147 PolarHBondContact O-OG 3.09Å; D145-S147 VanDerWaalsContact C-N 3.29Å; D145-S147 PolarHBondContact O-N 3.15Å
148	R	96.8	Very high	97.2	Very high	161 Å²	161	44.5 Å²	44.5	61%	0.608	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.6	-10.3	179.9	-57.3	174.3	-171.9	146	5.3	113.2	E144 D145 F146	E144-R148 IonicContact OE1-CZ 2.92Å; E144-R148 IonicContact OE1-NH2 2.74Å; E144-R148 PolarHBondContact OE1-NH2 3.41Å; D145-R148 WeakPolarHBondContact O-CB 3.46Å; D145-R148 PolarHBondContact O-N 3.42Å; D145-R148 IonicContact OD1-CZ 2.97Å; D145-R148 IonicContact OD1-NH1 3.98Å; D145-R148 PolarHBondContact OD1-NH1 2.85Å; D145-R148 IonicContact OD1-NH2 3.71Å; F146-R148 PolarHBondContact O-N 2.77Å
149	I	96.6	Very high	97.6	Very high	29 Å²	29	43.7 Å²	43.7	15%	0.149	23%	0.229	C	C	.	.	S	Bend	trans	-83.6	146.8	-179.8	81.5	-173.8	0	0	0	111.2	L28 M81 A106 F146 L151 F154	L28-I149 HydrophobicContact CD2-CD1 3.65Å; M81-I149 HydrophobicContact CE-CG2 4.26Å; M81-I149 HydrophobicContact SD-CG2 4.08Å; A106-I149 HydrophobicContact CB-CG2 4.15Å; F146-I149 HydrophobicContact CD1-CD1 4.44Å; F146-I149 HydrophobicContact CD2-CD1 3.69Å; F146-I149 HydrophobicContact CE1-CD1 4.16Å; F146-I149 HydrophobicContact CE2-CD1 3.34Å; F146-I149 HydrophobicContact CG-CD1 4.23Å; F146-I149 HydrophobicContact CZ-CD1 3.6Å; F146-I149 VanDerWaalsContact O-CG1 3.3Å; F146-I149 WeakPolarHBondContact O-CG1 3.36Å; F146-I149 PolarHBondContact O-N 2.9Å; F146-I149 VanDerWaalsContact O-N 3.12Å; I149-L151 HydrophobicContact CD1-CD2 3.86Å; I149-L151 HydrophobicContact CG1-CD2 3.92Å; I149-L151 HydrophobicContact CG1-CG 4.47Å; I149-L151 PolarHBondContact O-N 3.02Å; I149-F154 HydrophobicContact CD1-CE2 4.2Å; I149-F154 HydrophobicContact CG1-CE2 4.44Å
150	D	97.3	Very high	97.8	Very high	84 Å²	84	40.9 Å²	40.9	45%	0.449	21%	0.21	S	C	.	.			trans	-84.8	102.2	171.5	174	16.7	0	0	0	110.5	A152 Q153 F154	D150-A152 PolarHBondContact O-N 3.32Å; D150-A152 VanDerWaalsContact OD1-CB 3.25Å; D150-A152 WeakPolarHBondContact OD1-CB 3.38Å; D150-A152 PolarHBondContact OD1-N 3.44Å; D150-Q153 HydrophobicContact CB-CG 4.2Å; D150-Q153 PolarHBondContact O-N 2.85Å; D150-Q153 WeakPolarHBondContact OD2-CG 3.35Å; D150-Q153 PolarHBondContact OD2-NE2 3.4Å; D150-Q153 VanDerWaalsContact OD2-NE2 3.13Å; D150-F154 WeakPolarHBondContact O-CE2 3.21Å
151	L	98.1	Very high	98	Very high	20 Å²	20	38.5 Å²	38.5	11%	0.105	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-61.5	-22.9	-179.7	-67.1	179.2	0	0	0	113.4	F146 I149 Q153 F154 I157 V174 F177 I187	F146-L151 HydrophobicContact CE1-CD2 4.03Å; F146-L151 HydrophobicContact CZ-CD2 3.91Å; I149-L151 HydrophobicContact CD1-CD2 3.86Å; I149-L151 HydrophobicContact CG1-CD2 3.92Å; I149-L151 HydrophobicContact CG1-CG 4.47Å; I149-L151 PolarHBondContact O-N 3.02Å; L151-Q153 PolarHBondContact O-N 3.45Å; L151-Q153 VanDerWaalsContact O-N 3.15Å; L151-F154 PolarHBondContact O-N 2.89Å; L151-F154 VanDerWaalsContact O-N 3.16Å; L151-I157 HydrophobicContact CD2-CD1 3.81Å; L151-V174 HydrophobicContact CD1-CG2 4.26Å; L151-V174 HydrophobicContact CD2-CG2 3.98Å; L151-F177 HydrophobicContact CB-CD1 3.95Å; L151-F177 HydrophobicContact CB-CD2 4.21Å; L151-F177 HydrophobicContact CB-CE1 3.91Å; L151-F177 HydrophobicContact CB-CE2 4.2Å; L151-F177 HydrophobicContact CB-CG 4.09Å; L151-F177 HydrophobicContact CB-CZ 4.05Å; L151-F177 HydrophobicContact CD1-CB 3.7Å; L151-F177 HydrophobicContact CD1-CD1 4.27Å; L151-F177 HydrophobicContact CD1-CD2 4.22Å; L151-F177 HydrophobicContact CD1-CG 3.83Å; L151-I187 HydrophobicContact CB-CD1 3.96Å; L151-I187 WeakPolarHBondContact O-CD1 3.44Å
152	A	96.6	Very high	97.9	Very high	47 Å²	47	39.9 Å²	39.9	39%	0.388	20%	0.203	S	C	.	.	G	3₁₀ helix	trans	-63.8	-23.1	-178.8	0	0	0	0	0	112.7	K25 D150 F154 F177	K25-A152 WeakPolarHBondContact CE-O 3.33Å; K25-A152 PolarHBondContact NZ-O 3.24Å; D150-A152 PolarHBondContact O-N 3.32Å; D150-A152 VanDerWaalsContact OD1-CB 3.25Å; D150-A152 WeakPolarHBondContact OD1-CB 3.38Å; D150-A152 PolarHBondContact OD1-N 3.44Å; A152-F154 VanDerWaalsContact C-N 3.26Å; A152-F154 PolarHBondContact O-N 2.92Å; A152-F177 HydrophobicContact CB-CZ 4.3Å
153	Q	97.1	Very high	97.9	Very high	76 Å²	76	39.4 Å²	39.4	36%	0.355	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-74.9	-12.7	-179.8	-56.8	-175.2	22.4	0	0	113.6	K25 K26 D150 L151	K25-Q153 CarbonylContact C-O 3.52Å; K25-Q153 VanDerWaalsContact CA-O 3.28Å; K25-Q153 WeakPolarHBondContact CA-O 3.34Å; K26-Q153 PolarHBondContact N-O 3.42Å; D150-Q153 HydrophobicContact CB-CG 4.2Å; D150-Q153 PolarHBondContact O-N 2.85Å; D150-Q153 WeakPolarHBondContact OD2-CG 3.35Å; D150-Q153 PolarHBondContact OD2-NE2 3.4Å; D150-Q153 VanDerWaalsContact OD2-NE2 3.13Å; L151-Q153 PolarHBondContact O-N 3.45Å; L151-Q153 VanDerWaalsContact O-N 3.15Å
154	F	98.3	Very high	97.8	Very high	5 Å²	5	39.1 Å²	39.1	2%	0.022	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	143.2	-172.4	-54	-69.3	0	0	0	111.8	K26 L28 A79 I149 D150 L151 A152 I157	K26-F154 HydrophobicContact CB-CD1 3.72Å; K26-F154 HydrophobicContact CB-CE1 3.91Å; K26-F154 VanDerWaalsContact O-CA 3.31Å; K26-F154 WeakPolarHBondContact O-CA 3.37Å; L28-F154 HydrophobicContact CB-CD1 3.69Å; L28-F154 HydrophobicContact CB-CE1 3.79Å; L28-F154 HydrophobicContact CB-CG 4.16Å; L28-F154 HydrophobicContact CB-CZ 4.32Å; L28-F154 HydrophobicContact CD1-CE1 4.28Å; L28-F154 HydrophobicContact CD1-CZ 4.31Å; L28-F154 HydrophobicContact CD2-CE2 4.24Å; L28-F154 HydrophobicContact CD2-CZ 4.26Å; L28-F154 HydrophobicContact CG-CE1 4.44Å; A79-F154 HydrophobicContact CB-CE1 3.78Å; A79-F154 HydrophobicContact CB-CZ 4.37Å; I149-F154 HydrophobicContact CD1-CE2 4.2Å; I149-F154 HydrophobicContact CG1-CE2 4.44Å; D150-F154 WeakPolarHBondContact O-CE2 3.21Å; L151-F154 PolarHBondContact O-N 2.89Å; L151-F154 VanDerWaalsContact O-N 3.16Å; A152-F154 VanDerWaalsContact C-N 3.26Å; A152-F154 PolarHBondContact O-N 2.92Å; F154-I157 HydrophobicContact CB-CD1 4.37Å; F154-I157 HydrophobicContact CB-CG1 4.12Å
155	K	97.9	Very high	97.8	Very high	55 Å²	55	35.2 Å²	35.2	24%	0.239	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	-19.8	169.2	60.7	172.8	-176	165.2	0	112.1	K25 K26 I187 G188 S290 N291	K25-K155 HydrophobicContact CB-CB 3.72Å; K25-K155 HydrophobicContact CB-CD 4.47Å; K25-K155 HydrophobicContact CB-CG 4.02Å; K25-K155 HydrophobicContact CD-CB 4.11Å; K26-K155 PolarHBondContact O-N 3.3Å; K155-I187 WeakPolarHBondContact O-CA 3.29Å; K155-G188 PolarHBondContact O-N 3.13Å; K155-S290 PolarHBondContact NZ-O 3.28Å; K155-N291 PolarHBondContact NZ-OD1 2.83Å
156	W	98.8	Very high	97.8	Very high	25 Å²	25	36.2 Å²	36.2	10%	0.095	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	141.2	-179.3	-158.4	-70.6	0	0	0	110.1	I27 L28 G188 S190 V209 L286 L289	I27-W156 WeakPolarHBondContact CA-O 3.28Å; I27-W156 HydrophobicContact CG1-CB 4.13Å; I27-W156 HydrophobicContact CG2-CB 4.2Å; L28-W156 PolarHBondContact N-O 3.48Å; W156-G188 CarbonylContact C-O 3.57Å; W156-G188 VanDerWaalsContact CA-O 3.31Å; W156-G188 WeakPolarHBondContact CA-O 3.47Å; W156-S190 PolarHBondContact NE1-OG 2.92Å; W156-V209 HydrophobicContact CH2-CG2 4.07Å; W156-V209 HydrophobicContact CZ2-CB 4.42Å; W156-V209 HydrophobicContact CZ2-CG2 3.85Å; W156-L286 HydrophobicContact CZ2-CD2 4.18Å; W156-L289 HydrophobicContact CH2-CB 3.61Å; W156-L289 HydrophobicContact CH2-CD1 4.19Å; W156-L289 HydrophobicContact CZ2-CB 4.44Å; W156-L289 HydrophobicContact CZ3-CB 3.9Å
157	I	98.9	Very high	97.8	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130	173.1	-51.8	176.6	0	0	0	109.2	L28 V30 F146 L151 F154 W159 V174 I187 G188 S190	L28-I157 HydrophobicContact CB-CB 4.44Å; L28-I157 HydrophobicContact CB-CG1 4.07Å; L28-I157 HydrophobicContact CB-CG2 4.07Å; L28-I157 HydrophobicContact CD2-CD1 4.31Å; L28-I157 HydrophobicContact CD2-CG1 4.39Å; L28-I157 HydrophobicContact CD2-CG2 3.95Å; L28-I157 HydrophobicContact CG-CG2 4.14Å; L28-I157 CarbonylContact O-C 3.47Å; L28-I157 WeakPolarHBondContact O-CA 3.12Å; V30-I157 HydrophobicContact CG2-CG2 3.95Å; F146-I157 HydrophobicContact CZ-CD1 4.11Å; L151-I157 HydrophobicContact CD2-CD1 3.81Å; F154-I157 HydrophobicContact CB-CD1 4.37Å; F154-I157 HydrophobicContact CB-CG1 4.12Å; I157-W159 HydrophobicContact CB-CE3 4.3Å; I157-W159 HydrophobicContact CB-CH2 3.55Å; I157-W159 HydrophobicContact CB-CZ2 4.35Å; I157-W159 HydrophobicContact CB-CZ3 3.5Å; I157-W159 VanDerWaalsContact CB-CZ3 3.5Å; I157-W159 HydrophobicContact CD1-CH2 4.3Å; I157-W159 HydrophobicContact CG2-CD2 4.11Å; I157-W159 HydrophobicContact CG2-CE3 3.81Å; I157-W159 HydrophobicContact CG2-CH2 3.24Å; I157-W159 HydrophobicContact CG2-CZ2 3.56Å; I157-W159 HydrophobicContact CG2-CZ3 3.36Å; I157-W159 WeakPolarHBondContact O-CZ3 3.44Å; I157-V174 HydrophobicContact CD1-CG2 3.95Å; I157-I187 HydrophobicContact CB-CG2 4.46Å; I157-I187 HydrophobicContact CD1-CG2 3.97Å; I157-I187 HydrophobicContact CG1-CG2 3.72Å; I157-G188 PolarHBondContact N-O 3Å; I157-S190 PolarHBondContact O-N 3.07Å; I157-S190 PolarHBondContact O-OG 3.45Å
158	H	98.9	Very high	97.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	129.4	-179.9	179.3	68.7	0	0	0	110.2	L28 C29 V30 S190 F211 L286	L28-H158 PolarHBondContact O-N 3.49Å; C29-H158 CarbonylContact C-O 3.57Å; C29-H158 WeakPolarHBondContact CA-O 3.33Å; V30-H158 PolarHBondContact N-O 3.49Å; H158-S190 CarbonylContact C-O 3.59Å; H158-S190 WeakPolarHBondContact CA-O 3.37Å; H158-S190 WeakPolarHBondContact CA-OG 3.39Å; H158-S190 WeakPolarHBondContact CB-OG 3.48Å; H158-S190 PolarHBondContact ND1-OG 3.45Å; H158-F211 AromaticContact CE1-CD2 3.94Å; H158-L286 HydrophobicContact CB-CD1 3.88Å; H158-L286 HydrophobicContact CB-CD2 4.39Å
159	W	98.9	Very high	98	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	121.8	175.1	-73.9	-98.2	0	0	0	111.1	V30 F146 I157 G161 M170 I171 V174 I189 S190 V191 E192	V30-W159 HydrophobicContact CB-CG 4.18Å; F146-W159 AromaticContact CE2-CZ2 3.84Å; F146-W159 HydrophobicContact CE2-CZ2 3.84Å; F146-W159 HydrophobicContact CZ-CH2 4.35Å; F146-W159 AromaticContact CZ-CZ2 3.69Å; F146-W159 HydrophobicContact CZ-CZ2 3.69Å; I157-W159 HydrophobicContact CB-CE3 4.3Å; I157-W159 HydrophobicContact CB-CH2 3.55Å; I157-W159 HydrophobicContact CB-CZ2 4.35Å; I157-W159 HydrophobicContact CB-CZ3 3.5Å; I157-W159 VanDerWaalsContact CB-CZ3 3.5Å; I157-W159 HydrophobicContact CD1-CH2 4.3Å; I157-W159 HydrophobicContact CG2-CD2 4.11Å; I157-W159 HydrophobicContact CG2-CE3 3.81Å; I157-W159 HydrophobicContact CG2-CH2 3.24Å; I157-W159 HydrophobicContact CG2-CZ2 3.56Å; I157-W159 HydrophobicContact CG2-CZ3 3.36Å; I157-W159 WeakPolarHBondContact O-CZ3 3.44Å; W159-G161 PolarHBondContact O-N 2.75Å; W159-M170 HydrophobicContact CZ2-CB 4.21Å; W159-I171 HydrophobicContact CD2-CD1 4.2Å; W159-I171 HydrophobicContact CD2-CG1 3.88Å; W159-I171 HydrophobicContact CE3-CD1 4.28Å; W159-I171 HydrophobicContact CE3-CG1 3.94Å; W159-I171 HydrophobicContact CH2-CG1 3.89Å; W159-I171 HydrophobicContact CZ2-CG1 3.83Å; W159-I171 HydrophobicContact CZ3-CG1 3.97Å; W159-V174 HydrophobicContact CH2-CG2 3.87Å; W159-V174 HydrophobicContact CZ2-CG2 4.29Å; W159-I189 HydrophobicContact CE3-CG2 4.29Å; W159-I189 HydrophobicContact CZ3-CG2 3.73Å; W159-S190 PolarHBondContact N-O 2.93Å; W159-V191 HydrophobicContact CB-CG1 4.35Å; W159-V191 CarbonylContact O-C 3.51Å; W159-V191 WeakPolarHBondContact O-CA 3.24Å; W159-E192 PolarHBondContact O-N 3.18Å
160	E	98.8	Very high	98.1	Very high	12 Å²	12	30.1 Å²	30.1	6%	0.056	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	119.8	157.5	179.4	-165.5	142	0	0	108.2	V30 L32 N63 A64 R162 Q167	V30-E160 PolarHBondContact O-N 2.65Å; L32-E160 WeakPolarHBondContact CB-OE1 3.33Å; L32-E160 WeakPolarHBondContact CB-OE2 3.41Å; L32-E160 PolarHBondContact N-OE2 2.82Å; N63-E160 HydrophobicContact CB-CG 4.04Å; A64-E160 HydrophobicContact CB-CB 4.31Å; A64-E160 PolarHBondContact N-OE2 3.44Å; E160-R162 HydrophobicContact CG-CG 4.18Å; E160-R162 PolarHBondContact O-N 3.38Å; E160-R162 WeakPolarHBondContact OE1-CD 3.26Å; E160-R162 IonicContact OE1-CZ 3.3Å; E160-R162 IonicContact OE1-NH1 2.69Å; E160-R162 PolarHBondContact OE1-NH1 3.34Å; E160-Q167 PolarHBondContact O-NE2 3.49Å
161	G	98.2	Very high	98.2	Very high	8 Å²	8	26.2 Å²	26.2	8%	0.082	14%	0.142	C	C	.	.	S	Bend	trans	-65.9	115.4	-178.5	0	0	0	0	0	112.8	W159 E192 L200	W159-G161 PolarHBondContact O-N 2.75Å; G161-E192 WeakPolarHBondContact CA-O 3.31Å; G161-E192 PolarHBondContact N-O 3.25Å; G161-L200 VanDerWaalsContact C-CD2 3.42Å; G161-L200 WeakPolarHBondContact O-CD1 3.5Å
162	R	96.6	Very high	98.2	Very high	39 Å²	39	29.4 Å²	29.4	15%	0.147	16%	0.157	C	C	.	.	S	Bend	trans	-135.3	-73.7	-177.7	-62.2	-174.9	68.6	76.8	3.4	112.8	D135 D140 E160 L200	D135-R162 IonicContact OD2-CZ 2.7Å; D135-R162 IonicContact OD2-NH1 3.11Å; D135-R162 IonicContact OD2-NH2 3.27Å; D135-R162 PolarHBondContact OD2-NH2 2.94Å; D140-R162 IonicContact OD1-CZ 2.69Å; D140-R162 IonicContact OD1-NE 3.73Å; D140-R162 PolarHBondContact OD1-NE 3.39Å; D140-R162 IonicContact OD1-NH2 2.73Å; E160-R162 HydrophobicContact CG-CG 4.18Å; E160-R162 PolarHBondContact O-N 3.38Å; E160-R162 WeakPolarHBondContact OE1-CD 3.26Å; E160-R162 IonicContact OE1-CZ 3.3Å; E160-R162 IonicContact OE1-NH1 2.69Å; E160-R162 PolarHBondContact OE1-NH1 3.34Å; R162-L200 VanDerWaalsContact O-CD2 3.27Å; R162-L200 WeakPolarHBondContact O-CD2 3.33Å
163	N	96.9	Very high	98.3	Very high	33 Å²	33	29.8 Å²	29.8	18%	0.176	15%	0.151	C	C	.	.	S	Bend	trans	-105.4	70	179.4	59.7	-24.9	0	0	0	110.1	D140 V141 G165 E166 Q167	D140-N163 HydrophobicContact CB-CB 4Å; D140-N163 VanDerWaalsContact CB-CG 3.46Å; D140-N163 VanDerWaalsContact CB-ND2 3.28Å; D140-N163 WeakPolarHBondContact CB-ND2 3.38Å; V141-N163 PolarHBondContact O-ND2 3.19Å; N163-G165 VanDerWaalsContact C-N 3.28Å; N163-G165 PolarHBondContact O-N 2.97Å; N163-E166 WeakPolarHBondContact ND2-CB 3.28Å; N163-E166 PolarHBondContact O-N 3.41Å; N163-Q167 PolarHBondContact O-N 2.99Å; N163-Q167 VanDerWaalsContact O-N 3.1Å; N163-Q167 VanDerWaalsContact OD1-CG 3.3Å; N163-Q167 WeakPolarHBondContact OD1-CG 3.35Å
164	A	97.4	Very high	98.4	Very high	4 Å²	4	26.1 Å²	26.1	3%	0.033	13%	0.134	C	C	.	.	H	α-helix	trans	-46.8	-44.5	-168	0	0	0	0	0	114.7	E166 Q167 V168 P199 L200 E202 L203	A164-E166 VanDerWaalsContact C-N 3.28Å; A164-E166 PolarHBondContact O-N 3.12Å; A164-Q167 PolarHBondContact O-N 2.85Å; A164-Q167 VanDerWaalsContact O-N 3.12Å; A164-V168 VanDerWaalsContact O-CG2 3.3Å; A164-V168 WeakPolarHBondContact O-CG2 3.3Å; A164-V168 PolarHBondContact O-N 2.79Å; A164-P199 WeakPolarHBondContact CB-O 3.37Å; A164-L200 HydrophobicContact CB-CD2 4.29Å; A164-E202 HydrophobicContact CB-CB 4.49Å; A164-L203 HydrophobicContact CB-CD1 4.41Å; A164-L203 HydrophobicContact CB-CD2 4.46Å; A164-L203 HydrophobicContact CB-CG 4.19Å
165	G	97.6	Very high	98.4	Very high	41 Å²	41	29.8 Å²	29.8	42%	0.423	15%	0.151	S	C	.	.	H	α-helix	trans	-60.2	-32	-179.8	0	0	0	0	0	114.7	N163 K169	N163-G165 VanDerWaalsContact C-N 3.28Å; N163-G165 PolarHBondContact O-N 2.97Å; G165-K169 WeakPolarHBondContact O-CE 3.28Å; G165-K169 WeakPolarHBondContact O-CG 3.07Å
166	E	98.6	Very high	98.4	Very high	51 Å²	51	33.9 Å²	33.9	24%	0.238	17%	0.169	C	C	.	.	H	α-helix	trans	-82.1	-40.5	172.4	-72.9	-63.6	106.5	0	0	111.3	T142 A143 N163 A164 V168 K169 M170	T142-E166 WeakPolarHBondContact CB-OE2 3.43Å; A143-E166 WeakPolarHBondContact CB-OE2 3.12Å; A143-E166 PolarHBondContact N-OE2 3.25Å; N163-E166 WeakPolarHBondContact ND2-CB 3.28Å; N163-E166 PolarHBondContact O-N 3.41Å; A164-E166 VanDerWaalsContact C-N 3.28Å; A164-E166 PolarHBondContact O-N 3.12Å; E166-V168 VanDerWaalsContact C-N 3.35Å; E166-V168 PolarHBondContact O-N 2.9Å; E166-K169 WeakPolarHBondContact O-CB 3.38Å; E166-K169 PolarHBondContact O-N 2.97Å; E166-K169 IonicContact OE1-NZ 2.86Å; E166-K169 PolarHBondContact OE1-NZ 2.9Å; E166-M170 HydrophobicContact CB-CE 4.22Å; E166-M170 WeakPolarHBondContact O-CG 3.06Å; E166-M170 PolarHBondContact O-N 3.02Å
167	Q	98.7	Very high	98.4	Very high	3 Å²	3	35.2 Å²	35.2	1%	0.014	18%	0.175	C	C	.	.	H	α-helix	trans	-63.7	-37.8	-179.6	-67.6	178.6	-34.4	0	0	112.6	E160 N163 A164 K169 M170 I171 L203	E160-Q167 PolarHBondContact O-NE2 3.49Å; N163-Q167 PolarHBondContact O-N 2.99Å; N163-Q167 VanDerWaalsContact O-N 3.1Å; N163-Q167 VanDerWaalsContact OD1-CG 3.3Å; N163-Q167 WeakPolarHBondContact OD1-CG 3.35Å; A164-Q167 PolarHBondContact O-N 2.85Å; A164-Q167 VanDerWaalsContact O-N 3.12Å; Q167-K169 VanDerWaalsContact C-N 3.28Å; Q167-K169 PolarHBondContact O-N 2.92Å; Q167-M170 HydrophobicContact CG-SD 4.38Å; Q167-M170 WeakPolarHBondContact O-CB 3.3Å; Q167-M170 PolarHBondContact O-N 3.14Å; Q167-M170 VanDerWaalsContact O-N 3.15Å; Q167-I171 VanDerWaalsContact O-CG1 3.31Å; Q167-I171 WeakPolarHBondContact O-CG1 3.5Å; Q167-I171 PolarHBondContact O-N 2.88Å; Q167-L203 HydrophobicContact CB-CD2 3.99Å
168	V	98.8	Very high	98.3	Very high	27 Å²	27	35.8 Å²	35.8	16%	0.164	18%	0.178	C	C	.	.	H	α-helix	trans	-57.7	-42.5	172	169.4	0	0	0	0	110.6	A164 E166 I171 Q172 E202 L203	A164-V168 VanDerWaalsContact O-CG2 3.3Å; A164-V168 WeakPolarHBondContact O-CG2 3.3Å; A164-V168 PolarHBondContact O-N 2.79Å; E166-V168 VanDerWaalsContact C-N 3.35Å; E166-V168 PolarHBondContact O-N 2.9Å; V168-I171 PolarHBondContact O-N 2.76Å; V168-Q172 VanDerWaalsContact O-CG 3.25Å; V168-Q172 WeakPolarHBondContact O-CG 3.26Å; V168-Q172 PolarHBondContact O-N 3.25Å; V168-E202 HydrophobicContact CG2-CB 4.41Å; V168-L203 HydrophobicContact CG2-CD2 3.96Å
169	K	98.8	Very high	98.3	Very high	102 Å²	102	39.6 Å²	39.6	44%	0.443	21%	0.21	S	C	.	.	H	α-helix	trans	-65.9	-39.1	176.8	-61.5	170.2	-168.4	168.8	0	111.7	A143 G165 E166 Q167 Q172 Q173	A143-K169 HydrophobicContact CB-CB 3.7Å; A143-K169 HydrophobicContact CB-CD 4.2Å; G165-K169 WeakPolarHBondContact O-CE 3.28Å; G165-K169 WeakPolarHBondContact O-CG 3.07Å; E166-K169 WeakPolarHBondContact O-CB 3.38Å; E166-K169 PolarHBondContact O-N 2.97Å; E166-K169 IonicContact OE1-NZ 2.86Å; E166-K169 PolarHBondContact OE1-NZ 2.9Å; Q167-K169 VanDerWaalsContact C-N 3.28Å; Q167-K169 PolarHBondContact O-N 2.92Å; K169-Q172 PolarHBondContact O-N 2.75Å; K169-Q173 WeakPolarHBondContact O-CG 3.37Å; K169-Q173 PolarHBondContact O-N 3Å; K169-Q173 VanDerWaalsContact O-N 3.15Å
170	M	98.8	Very high	98.2	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-47.5	174.6	-60	171.6	-164.4	0	0	111.1	V30 V141 T142 A143 F146 W159 E166 Q167 Q172 Q173 V174	V30-M170 HydrophobicContact CG1-SD 4.47Å; V141-M170 HydrophobicContact CB-CE 4.29Å; V141-M170 HydrophobicContact CG1-CE 3.92Å; V141-M170 WeakPolarHBondContact O-CE 3.46Å; T142-M170 WeakPolarHBondContact O-CE 3.47Å; A143-M170 HydrophobicContact CB-CG 4.25Å; F146-M170 HydrophobicContact CB-CB 4.34Å; F146-M170 HydrophobicContact CB-CG 3.67Å; F146-M170 HydrophobicContact CB-SD 4.1Å; F146-M170 HydrophobicContact CD1-CB 3.77Å; F146-M170 HydrophobicContact CD1-CG 4.06Å; F146-M170 HydrophobicContact CD2-CB 4.24Å; F146-M170 HydrophobicContact CD2-CG 4.22Å; F146-M170 HydrophobicContact CD2-SD 4.13Å; F146-M170 HydrophobicContact CE1-CB 4.09Å; F146-M170 HydrophobicContact CG-CB 3.86Å; F146-M170 HydrophobicContact CG-CG 3.73Å; F146-M170 HydrophobicContact CG-SD 4.18Å; F146-M170 HydrophobicContact CZ-CB 4.47Å; W159-M170 HydrophobicContact CZ2-CB 4.21Å; E166-M170 HydrophobicContact CB-CE 4.22Å; E166-M170 WeakPolarHBondContact O-CG 3.06Å; E166-M170 PolarHBondContact O-N 3.02Å; Q167-M170 HydrophobicContact CG-SD 4.38Å; Q167-M170 WeakPolarHBondContact O-CB 3.3Å; Q167-M170 PolarHBondContact O-N 3.14Å; Q167-M170 VanDerWaalsContact O-N 3.15Å; M170-Q172 VanDerWaalsContact C-N 3.32Å; M170-Q172 PolarHBondContact O-N 3.23Å; M170-Q173 VanDerWaalsContact O-CB 3.31Å; M170-Q173 WeakPolarHBondContact O-CB 3.23Å; M170-Q173 PolarHBondContact O-N 3.26Å; M170-V174 PolarHBondContact O-N 3.39Å
171	I	98.8	Very high	98.1	Very high	2 Å²	2	48.4 Å²	48.4	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-62.6	-41.1	-180	-66	166.5	0	0	0	110.5	W159 Q167 V168 Q173 V174 E175 I189 V191 L203 C206	W159-I171 HydrophobicContact CD2-CD1 4.2Å; W159-I171 HydrophobicContact CD2-CG1 3.88Å; W159-I171 HydrophobicContact CE3-CD1 4.28Å; W159-I171 HydrophobicContact CE3-CG1 3.94Å; W159-I171 HydrophobicContact CH2-CG1 3.89Å; W159-I171 HydrophobicContact CZ2-CG1 3.83Å; W159-I171 HydrophobicContact CZ3-CG1 3.97Å; Q167-I171 VanDerWaalsContact O-CG1 3.31Å; Q167-I171 WeakPolarHBondContact O-CG1 3.5Å; Q167-I171 PolarHBondContact O-N 2.88Å; V168-I171 PolarHBondContact O-N 2.76Å; I171-Q173 VanDerWaalsContact C-N 3.26Å; I171-Q173 PolarHBondContact O-N 2.69Å; I171-V174 WeakPolarHBondContact O-CA 3.27Å; I171-V174 WeakPolarHBondContact O-CB 3.46Å; I171-V174 PolarHBondContact O-N 2.9Å; I171-E175 HydrophobicContact CG2-CG 4.43Å; I171-E175 WeakPolarHBondContact O-CG 3.33Å; I171-E175 PolarHBondContact O-N 3.08Å; I171-I189 HydrophobicContact CG1-CG2 4.5Å; I171-I189 HydrophobicContact CG2-CD1 4.19Å; I171-I189 HydrophobicContact CG2-CG2 3.91Å; I171-V191 HydrophobicContact CD1-CG1 3.71Å; I171-L203 HydrophobicContact CD1-CD2 4.25Å; I171-C206 HydrophobicContact CD1-CB 3.65Å; I171-C206 HydrophobicContact CG2-CB 4.05Å
172	Q	98.7	Very high	97.9	Very high	87 Å²	87	51.3 Å²	51.3	41%	0.407	27%	0.269	S	S	.	.	H	α-helix	trans	-60.5	-31.6	173.4	-73.4	171.2	-0.2	0	0	113.3	V168 K169 M170 V174 K176	V168-Q172 VanDerWaalsContact O-CG 3.25Å; V168-Q172 WeakPolarHBondContact O-CG 3.26Å; V168-Q172 PolarHBondContact O-N 3.25Å; K169-Q172 PolarHBondContact O-N 2.75Å; M170-Q172 VanDerWaalsContact C-N 3.32Å; M170-Q172 PolarHBondContact O-N 3.23Å; Q172-V174 VanDerWaalsContact C-N 3.34Å; Q172-K176 WeakPolarHBondContact O-CB 3.21Å; Q172-K176 VanDerWaalsContact O-CG 3.25Å; Q172-K176 WeakPolarHBondContact O-CG 3.32Å; Q172-K176 PolarHBondContact O-N 2.84Å
173	Q	98.7	Very high	97.6	Very high	55 Å²	55	55.1 Å²	55.1	26%	0.257	29%	0.292	S	S	.	.	H	α-helix	trans	-65.3	-40.6	172.6	-65.7	173.6	33.3	0	0	110.9	A143 F146 K169 M170 I171 K176 F177	A143-Q173 PolarHBondContact O-NE2 2.99Å; F146-Q173 HydrophobicContact CE1-CB 4.45Å; K169-Q173 WeakPolarHBondContact O-CG 3.37Å; K169-Q173 PolarHBondContact O-N 3Å; K169-Q173 VanDerWaalsContact O-N 3.15Å; M170-Q173 VanDerWaalsContact O-CB 3.31Å; M170-Q173 WeakPolarHBondContact O-CB 3.23Å; M170-Q173 PolarHBondContact O-N 3.26Å; I171-Q173 VanDerWaalsContact C-N 3.26Å; I171-Q173 PolarHBondContact O-N 2.69Å; Q173-K176 PolarHBondContact O-N 3.06Å; Q173-F177 PolarHBondContact O-N 3.38Å
174	V	98.7	Very high	97.2	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-67.6	-40.2	176.3	-177.6	0	0	0	0	111.7	F146 L151 I157 W159 M170 I171 Q172 K176 F177 N178 I187 I189	F146-V174 HydrophobicContact CE1-CG2 3.75Å; F146-V174 HydrophobicContact CZ-CG2 3.67Å; L151-V174 HydrophobicContact CD1-CG2 4.26Å; L151-V174 HydrophobicContact CD2-CG2 3.98Å; I157-V174 HydrophobicContact CD1-CG2 3.95Å; W159-V174 HydrophobicContact CH2-CG2 3.87Å; W159-V174 HydrophobicContact CZ2-CG2 4.29Å; M170-V174 PolarHBondContact O-N 3.39Å; I171-V174 WeakPolarHBondContact O-CA 3.27Å; I171-V174 WeakPolarHBondContact O-CB 3.46Å; I171-V174 PolarHBondContact O-N 2.9Å; Q172-V174 VanDerWaalsContact C-N 3.34Å; V174-K176 PolarHBondContact O-N 2.79Å; V174-F177 WeakPolarHBondContact O-CB 3.44Å; V174-F177 PolarHBondContact O-N 2.88Å; V174-N178 WeakPolarHBondContact O-CB 3.35Å; V174-N178 PolarHBondContact O-N 3.41Å; V174-I187 HydrophobicContact CG1-CB 3.97Å; V174-I187 HydrophobicContact CG1-CD1 4.23Å; V174-I187 HydrophobicContact CG1-CG2 4.04Å; V174-I189 HydrophobicContact CB-CD1 4.3Å; V174-I189 HydrophobicContact CG1-CD1 3.91Å; V174-I189 HydrophobicContact CG1-CG1 4.02Å
175	E	98.3	Very high	97	Very high	82 Å²	82	68.1 Å²	68.1	38%	0.383	34%	0.342	S	S	.	.	H	α-helix	trans	-62.1	-42.9	174.6	-69.1	-178.2	146.8	0	0	112	I171 F177 N178 A179 I189	I171-E175 HydrophobicContact CG2-CG 4.43Å; I171-E175 WeakPolarHBondContact O-CG 3.33Å; I171-E175 PolarHBondContact O-N 3.08Å; E175-F177 VanDerWaalsContact C-N 3.29Å; E175-F177 PolarHBondContact O-N 2.93Å; E175-N178 PolarHBondContact O-N 3.31Å; E175-A179 PolarHBondContact O-N 2.82Å; E175-I189 HydrophobicContact CG-CD1 3.98Å
176	K	98.4	Very high	97	Very high	141 Å²	141	71.8 Å²	71.8	61%	0.613	34%	0.343	S	S	*	.	H	α-helix	trans	-61.9	-36.5	174.5	-74.6	170.9	-174.5	174.1	0	112.5	Q172 Q173 V174 Q180	Q172-K176 WeakPolarHBondContact O-CB 3.21Å; Q172-K176 VanDerWaalsContact O-CG 3.25Å; Q172-K176 WeakPolarHBondContact O-CG 3.32Å; Q172-K176 PolarHBondContact O-N 2.84Å; Q173-K176 PolarHBondContact O-N 3.06Å; V174-K176 PolarHBondContact O-N 2.79Å; K176-Q180 PolarHBondContact O-NE2 3.1Å
177	F	98.4	Very high	97	Very high	52 Å²	52	69.4 Å²	69.4	23%	0.228	33%	0.332	C	S	.	.	H	α-helix	trans	-68.9	-47.4	174.2	-176.1	-100.7	0	0	0	111.2	L151 A152 Q173 V174 E175 A179 Q180 L181 I187	L151-F177 HydrophobicContact CB-CD1 3.95Å; L151-F177 HydrophobicContact CB-CD2 4.21Å; L151-F177 HydrophobicContact CB-CE1 3.91Å; L151-F177 HydrophobicContact CB-CE2 4.2Å; L151-F177 HydrophobicContact CB-CG 4.09Å; L151-F177 HydrophobicContact CB-CZ 4.05Å; L151-F177 HydrophobicContact CD1-CB 3.7Å; L151-F177 HydrophobicContact CD1-CD1 4.27Å; L151-F177 HydrophobicContact CD1-CD2 4.22Å; L151-F177 HydrophobicContact CD1-CG 3.83Å; A152-F177 HydrophobicContact CB-CZ 4.3Å; Q173-F177 PolarHBondContact O-N 3.38Å; V174-F177 WeakPolarHBondContact O-CB 3.44Å; V174-F177 PolarHBondContact O-N 2.88Å; E175-F177 VanDerWaalsContact C-N 3.29Å; E175-F177 PolarHBondContact O-N 2.93Å; F177-A179 VanDerWaalsContact C-N 3.26Å; F177-A179 PolarHBondContact O-N 3.42Å; F177-Q180 WeakPolarHBondContact O-CB 3.45Å; F177-Q180 PolarHBondContact O-N 3.3Å; F177-L181 HydrophobicContact CD1-CD1 3.8Å; F177-L181 HydrophobicContact CE1-CD1 3.46Å; F177-L181 VanDerWaalsContact CE1-CD1 3.46Å; F177-L181 HydrophobicContact CE1-CG 4.39Å; F177-L181 HydrophobicContact CZ-CD1 4.19Å; F177-I187 HydrophobicContact CD1-CD1 3.72Å; F177-I187 HydrophobicContact CD1-CG1 4.39Å; F177-I187 HydrophobicContact CE1-CD1 3.79Å; F177-I187 HydrophobicContact CE1-CG1 4.4Å
178	N	98.3	Very high	97	Very high	13 Å²	13	69.8 Å²	69.8	7%	0.07	34%	0.337	C	S	.	.	H	α-helix	trans	-60.1	-31.7	177.5	-82.1	-12.5	0	0	0	113.5	V174 E175 Q180 L181 R186 I187	V174-N178 WeakPolarHBondContact O-CB 3.35Å; V174-N178 PolarHBondContact O-N 3.41Å; E175-N178 PolarHBondContact O-N 3.31Å; N178-Q180 PolarHBondContact O-N 2.64Å; N178-L181 PolarHBondContact O-N 3.1Å; N178-L181 VanDerWaalsContact O-N 3.09Å; N178-R186 HydrophobicContact CB-CB 4.3Å; N178-R186 HydrophobicContact CB-CG 3.96Å; N178-R186 PolarHBondContact O-NE 3.43Å; N178-R186 VanDerWaalsContact O-NE 3.14Å; N178-R186 WeakPolarHBondContact OD1-CA 3.27Å; N178-I187 PolarHBondContact ND2-O 3.19Å; N178-I187 PolarHBondContact OD1-N 3.48Å
179	A	97.9	Very high	97	Very high	80 Å²	80	68.6 Å²	68.6	66%	0.661	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-20.8	176.3	0	0	0	0	0	113.3	E175 F177	E175-A179 PolarHBondContact O-N 2.82Å; F177-A179 VanDerWaalsContact C-N 3.26Å; F177-A179 PolarHBondContact O-N 3.42Å
180	Q	97.1	Very high	97	Very high	158 Å²	158	63.8 Å²	63.8	74%	0.738	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-5.4	178.3	-57.5	171.8	35.8	0	0	112.4	K176 F177 N178	K176-Q180 PolarHBondContact O-NE2 3.1Å; F177-Q180 WeakPolarHBondContact O-CB 3.45Å; F177-Q180 PolarHBondContact O-N 3.3Å; N178-Q180 PolarHBondContact O-N 2.64Å
181	L	96.1	Very high	97	Very high	38 Å²	38	63.8 Å²	63.8	20%	0.199	31%	0.309	C	S	.	.	S	Bend	trans	-109.3	147.8	-174.1	-62.8	-178.7	0	0	0	112.4	F177 N178 Q185 R186	F177-L181 HydrophobicContact CD1-CD1 3.8Å; F177-L181 HydrophobicContact CE1-CD1 3.46Å; F177-L181 VanDerWaalsContact CE1-CD1 3.46Å; F177-L181 HydrophobicContact CE1-CG 4.39Å; F177-L181 HydrophobicContact CZ-CD1 4.19Å; N178-L181 PolarHBondContact O-N 3.1Å; N178-L181 VanDerWaalsContact O-N 3.09Å; L181-Q185 HydrophobicContact CB-CB 4.41Å; L181-R186 HydrophobicContact CB-CG 4.31Å
182	P	95.1	Very high	97	Very high	69 Å²	69	64.3 Å²	64.3	45%	0.448	31%	0.311	S	S	.	.			trans	-58.8	148.1	165.2	-19.6	31.5	0	0	0	111.2	R184 Q185 R186	P182-R184 VanDerWaalsContact C-N 3.27Å; P182-R184 PolarHBondContact O-N 3.12Å; P182-R184 VanDerWaalsContact O-N 3.1Å; P182-Q185 PolarHBondContact O-N 2.9Å; P182-R186 PolarHBondContact O-N 3.44Å
183	D	90.1	Very high	97	Very high	119 Å²	119	60.1 Å²	60.1	64%	0.636	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-48.5	-45.4	-175.5	-65.8	-13.3	0	0	0	113.4	Q185 R186	D183-Q185 PolarHBondContact O-N 3.38Å; D183-Q185 VanDerWaalsContact O-N 3.12Å; D183-R186 PolarHBondContact O-N 2.89Å; D183-R186 IonicContact OD1-CZ 2.94Å; D183-R186 IonicContact OD1-NE 3.93Å; D183-R186 IonicContact OD1-NH1 2.85Å; D183-R186 PolarHBondContact OD1-NH1 2.99Å; D183-R186 IonicContact OD1-NH2 3.25Å; D183-R186 PolarHBondContact OD1-NH2 3.35Å
184	R	88.5	Confident	96.9	Very high	223 Å²	223	59.8 Å²	59.8	84%	0.842	29%	0.29	S	S	*	.	G	3₁₀ helix	trans	-66.1	-11.2	-179.8	70.2	-178.3	179	160.3	-0.9	115.4	P182	P182-R184 VanDerWaalsContact C-N 3.27Å; P182-R184 PolarHBondContact O-N 3.12Å; P182-R184 VanDerWaalsContact O-N 3.1Å
185	Q	92.6	Very high	96.7	Very high	87 Å²	87	64.4 Å²	64.4	41%	0.407	31%	0.31	S	S	.	.	G	3₁₀ helix	trans	-111.5	-5	-179.2	-65.2	-178.5	2.3	0	0	112.7	L181 P182 D183	L181-Q185 HydrophobicContact CB-CB 4.41Å; P182-Q185 PolarHBondContact O-N 2.9Å; D183-Q185 PolarHBondContact O-N 3.38Å; D183-Q185 VanDerWaalsContact O-N 3.12Å
186	R	97.2	Very high	96.6	Very high	118 Å²	118	63.8 Å²	63.8	45%	0.445	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-63.4	146.6	178.1	-69.9	-173.8	179.8	147.1	16.9	110.9	N178 L181 P182 D183	N178-R186 HydrophobicContact CB-CB 4.3Å; N178-R186 HydrophobicContact CB-CG 3.96Å; N178-R186 PolarHBondContact O-NE 3.43Å; N178-R186 VanDerWaalsContact O-NE 3.14Å; N178-R186 WeakPolarHBondContact OD1-CA 3.27Å; L181-R186 HydrophobicContact CB-CG 4.31Å; P182-R186 PolarHBondContact O-N 3.44Å; D183-R186 PolarHBondContact O-N 2.89Å; D183-R186 IonicContact OD1-CZ 2.94Å; D183-R186 IonicContact OD1-NE 3.93Å; D183-R186 IonicContact OD1-NH1 2.85Å; D183-R186 PolarHBondContact OD1-NH1 2.99Å; D183-R186 IonicContact OD1-NH2 3.25Å; D183-R186 PolarHBondContact OD1-NH2 3.35Å
187	I	98.5	Very high	96.5	Very high	1 Å²	1	64.6 Å²	64.6	1%	0.005	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-77.3	123.9	174.8	-56.6	179.3	0	0	0	107.9	L151 K155 I157 V174 F177 N178	L151-I187 HydrophobicContact CB-CD1 3.96Å; L151-I187 WeakPolarHBondContact O-CD1 3.44Å; K155-I187 WeakPolarHBondContact O-CA 3.29Å; I157-I187 HydrophobicContact CB-CG2 4.46Å; I157-I187 HydrophobicContact CD1-CG2 3.97Å; I157-I187 HydrophobicContact CG1-CG2 3.72Å; V174-I187 HydrophobicContact CG1-CB 3.97Å; V174-I187 HydrophobicContact CG1-CD1 4.23Å; V174-I187 HydrophobicContact CG1-CG2 4.04Å; F177-I187 HydrophobicContact CD1-CD1 3.72Å; F177-I187 HydrophobicContact CD1-CG1 4.39Å; F177-I187 HydrophobicContact CE1-CD1 3.79Å; F177-I187 HydrophobicContact CE1-CG1 4.4Å; N178-I187 PolarHBondContact ND2-O 3.19Å; N178-I187 PolarHBondContact OD1-N 3.48Å
188	G	98.5	Very high	96.3	Very high	12 Å²	12	69.2 Å²	69.2	12%	0.124	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	136.9	170.6	0	0	0	0	0	111.2	K155 W156 I157	K155-G188 PolarHBondContact O-N 3.13Å; W156-G188 CarbonylContact C-O 3.57Å; W156-G188 VanDerWaalsContact CA-O 3.31Å; W156-G188 WeakPolarHBondContact CA-O 3.47Å; I157-G188 PolarHBondContact N-O 3Å
189	I	98.9	Very high	96.3	Very high	2 Å²	2	72.5 Å²	72.5	1%	0.01	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	126.9	-176.4	-57.5	176.1	0	0	0	108.3	W159 I171 V174 E175 D208 V209	W159-I189 HydrophobicContact CE3-CG2 4.29Å; W159-I189 HydrophobicContact CZ3-CG2 3.73Å; I171-I189 HydrophobicContact CG1-CG2 4.5Å; I171-I189 HydrophobicContact CG2-CD1 4.19Å; I171-I189 HydrophobicContact CG2-CG2 3.91Å; V174-I189 HydrophobicContact CB-CD1 4.3Å; V174-I189 HydrophobicContact CG1-CD1 3.91Å; V174-I189 HydrophobicContact CG1-CG1 4.02Å; E175-I189 HydrophobicContact CG-CD1 3.98Å; I189-D208 PolarHBondContact N-OD2 3.21Å; I189-D208 WeakPolarHBondContact O-CA 3.22Å; I189-D208 WeakPolarHBondContact O-CB 3.37Å; I189-D208 PolarHBondContact O-N 3.25Å; I189-V209 PolarHBondContact O-N 2.98Å; I189-V209 VanDerWaalsContact O-N 3.14Å
190	S	98.9	Very high	96.3	Very high	0 Å²	0	68.8 Å²	68.8	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	147.3	172.4	60.3	0	0	0	0	112.4	W156 I157 H158 W159 V209 L286	W156-S190 PolarHBondContact NE1-OG 2.92Å; I157-S190 PolarHBondContact O-N 3.07Å; I157-S190 PolarHBondContact O-OG 3.45Å; H158-S190 CarbonylContact C-O 3.59Å; H158-S190 WeakPolarHBondContact CA-O 3.37Å; H158-S190 WeakPolarHBondContact CA-OG 3.39Å; H158-S190 WeakPolarHBondContact CB-OG 3.48Å; H158-S190 PolarHBondContact ND1-OG 3.45Å; W159-S190 PolarHBondContact N-O 2.93Å; S190-V209 CarbonylContact C-O 3.58Å; S190-V209 WeakPolarHBondContact CA-O 3.19Å; S190-V209 WeakPolarHBondContact CB-O 3.49Å; S190-L286 WeakPolarHBondContact OG-CD2 3.3Å
191	V	98.9	Very high	96.3	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	141.9	179.2	-58.6	0	0	0	0	109.9	W159 I171 L203 C206 V209 V210 F211	W159-V191 HydrophobicContact CB-CG1 4.35Å; W159-V191 CarbonylContact O-C 3.51Å; W159-V191 WeakPolarHBondContact O-CA 3.24Å; I171-V191 HydrophobicContact CD1-CG1 3.71Å; V191-L203 HydrophobicContact CB-CB 4.49Å; V191-L203 HydrophobicContact CG2-CB 4.42Å; V191-C206 HydrophobicContact CG1-CB 4.44Å; V191-V209 PolarHBondContact N-O 2.81Å; V191-V210 HydrophobicContact CG2-CB 4.21Å; V191-V210 HydrophobicContact CG2-CG1 3.96Å; V191-V210 HydrophobicContact CG2-CG2 3.87Å; V191-V210 WeakPolarHBondContact O-CA 3.46Å; V191-F211 PolarHBondContact O-N 2.98Å
192	E	98.9	Very high	96.4	Very high	13 Å²	13	66.3 Å²	66.3	6%	0.061	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.6	171.2	173.3	-179.9	-132.4	0	0	109.9	N63 W159 G161 E194 F211 N282	N63-E192 WeakPolarHBondContact CB-OE2 3.47Å; N63-E192 PolarHBondContact ND2-OE2 2.78Å; W159-E192 PolarHBondContact O-N 3.18Å; G161-E192 WeakPolarHBondContact CA-O 3.31Å; G161-E192 PolarHBondContact N-O 3.25Å; E192-E194 HydrophobicContact CG-CB 3.87Å; E192-F211 HydrophobicContact CB-CB 4.34Å; E192-F211 HydrophobicContact CG-CB 4.5Å; E192-N282 VanDerWaalsContact CD-ND2 3.32Å; E192-N282 PolarHBondContact OE1-ND2 2.95Å
193	I	98.7	Very high	96.6	Very high	0 Å²	0	63 Å²	63	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	87.9	172.5	-54.9	173.2	0	0	0	107	L200 Y201 L203 F204 V210 F211 S213 V216	I193-L200 HydrophobicContact CG2-CB 4.15Å; I193-Y201 HydrophobicContact CG2-CD1 4Å; I193-Y201 HydrophobicContact CG2-CE1 4.14Å; I193-L203 HydrophobicContact CD1-CB 4.21Å; I193-L203 HydrophobicContact CG1-CB 4.31Å; I193-F204 HydrophobicContact CD1-CB 4.41Å; I193-F204 HydrophobicContact CD1-CD1 3.69Å; I193-F204 HydrophobicContact CD1-CD2 3.77Å; I193-F204 HydrophobicContact CD1-CE1 3.77Å; I193-F204 HydrophobicContact CD1-CE2 3.85Å; I193-F204 HydrophobicContact CD1-CG 3.67Å; I193-F204 HydrophobicContact CD1-CZ 3.84Å; I193-V210 HydrophobicContact CD1-CG1 4.27Å; I193-F211 PolarHBondContact N-O 2.83Å; I193-S213 PolarHBondContact O-N 2.81Å; I193-S213 VanDerWaalsContact O-N 3.13Å; I193-V216 HydrophobicContact CG2-CG1 4.27Å; I193-V216 HydrophobicContact CG2-CG2 4.26Å
194	E	97.3	Very high	97	Very high	47 Å²	47	57.4 Å²	57.4	22%	0.22	26%	0.26	C	S	.	.			trans	-98.1	-33.5	-175.3	-177.9	-84.2	168.5	0	0	113.5	E192 S213 V216	E192-E194 HydrophobicContact CG-CB 3.87Å; E194-S213 PolarHBondContact O-OG 2.82Å; E194-V216 WeakPolarHBondContact O-CG2 3.27Å
195	K	95.1	Very high	97.5	Very high	98 Å²	98	49.9 Å²	49.9	43%	0.426	24%	0.239	S	C	.	.	S	Bend	trans	-90.4	144.1	-179.8	-57.4	-64.7	176.2	-140.5	0	112.6	R197 L200 V216	K195-R197 HydrophobicContact CB-CG 4.05Å; K195-R197 PolarHBondContact O-N 2.75Å; K195-L200 HydrophobicContact CB-CD1 3.85Å; K195-V216 WeakPolarHBondContact O-CG2 3.36Å
196	T	95.9	Very high	97.8	Very high	69 Å²	69	46.3 Å²	46.3	42%	0.423	22%	0.224	S	C	.	.			trans	-77.5	59.1	174.2	61	0	0	0	0	111.7	D215 V216 H219	T196-D215 HydrophobicContact CG2-CB 4.5Å; T196-V216 HydrophobicContact CG2-CG2 4.23Å; T196-H219 HydrophobicContact CG2-CB 3.62Å
197	R	95.8	Very high	97.8	Very high	158 Å²	158	40.7 Å²	40.7	60%	0.596	20%	0.203	S	C	*	.			trans	-119.8	116.5	-180	-61.5	178	85.9	-177.3	6.4	109	K195 P199 L200	K195-R197 HydrophobicContact CB-CG 4.05Å; K195-R197 PolarHBondContact O-N 2.75Å; R197-P199 VanDerWaalsContact C-N 3.33Å; R197-P199 VanDerWaalsContact O-N 3.16Å; R197-L200 HydrophobicContact CB-CD1 4.09Å; R197-L200 HydrophobicContact CB-CG 4.08Å; R197-L200 WeakPolarHBondContact O-CB 3.45Å; R197-L200 PolarHBondContact O-N 3.38Å
198	E	95.2	Very high	97.8	Very high	149 Å²	149	43.4 Å²	43.4	70%	0.696	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-50.2	-40.8	-174.9	-65.8	-173	172.3	0	0	115.5	L200 Y201	E198-L200 PolarHBondContact O-N 3.36Å; E198-L200 VanDerWaalsContact O-N 3.13Å; E198-Y201 HydrophobicContact CB-CD2 4.32Å; E198-Y201 HydrophobicContact CB-CE2 4.26Å; E198-Y201 HydrophobicContact CG-CD2 4.49Å; E198-Y201 HydrophobicContact CG-CE2 4.04Å; E198-Y201 WeakPolarHBondContact O-CB 3.36Å; E198-Y201 WeakPolarHBondContact O-CD2 3.27Å; E198-Y201 PolarHBondContact O-N 3.45Å
199	P	97.3	Very high	97.8	Very high	81 Å²	81	43.1 Å²	43.1	53%	0.526	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-58	-28.8	177.7	-26.9	36.4	0	0	0	114	A164 R197 Y201 E202	A164-P199 WeakPolarHBondContact CB-O 3.37Å; R197-P199 VanDerWaalsContact C-N 3.33Å; R197-P199 VanDerWaalsContact O-N 3.16Å; P199-Y201 PolarHBondContact O-N 3.35Å; P199-E202 WeakPolarHBondContact O-CB 3.23Å; P199-E202 PolarHBondContact O-N 3.23Å
200	L	97.9	Very high	97.8	Very high	3 Å²	3	43 Å²	43	2%	0.016	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-67.6	-20.1	179.7	-60	-176	0	0	0	113	G161 R162 A164 I193 K195 R197 E198 E202 L203	G161-L200 VanDerWaalsContact C-CD2 3.42Å; G161-L200 WeakPolarHBondContact O-CD1 3.5Å; R162-L200 VanDerWaalsContact O-CD2 3.27Å; R162-L200 WeakPolarHBondContact O-CD2 3.33Å; A164-L200 HydrophobicContact CB-CD2 4.29Å; I193-L200 HydrophobicContact CG2-CB 4.15Å; K195-L200 HydrophobicContact CB-CD1 3.85Å; R197-L200 HydrophobicContact CB-CD1 4.09Å; R197-L200 HydrophobicContact CB-CG 4.08Å; R197-L200 WeakPolarHBondContact O-CB 3.45Å; R197-L200 PolarHBondContact O-N 3.38Å; E198-L200 PolarHBondContact O-N 3.36Å; E198-L200 VanDerWaalsContact O-N 3.13Å; L200-E202 PolarHBondContact O-N 2.94Å; L200-L203 HydrophobicContact CD2-CD1 4.42Å; L200-L203 VanDerWaalsContact O-CB 3.28Å; L200-L203 WeakPolarHBondContact O-CB 3.23Å; L200-L203 WeakPolarHBondContact O-CG 3.41Å; L200-L203 PolarHBondContact O-N 2.91Å
201	Y	98.1	Very high	97.8	Very high	29 Å²	29	43.3 Å²	43.3	11%	0.114	21%	0.214	C	C	.	.	G	3₁₀ helix	trans	-70.7	-12.4	-179.4	-52.1	-25.9	0	0	0	112.3	I193 E198 P199 L203 F204 V216 H219 F220	I193-Y201 HydrophobicContact CG2-CD1 4Å; I193-Y201 HydrophobicContact CG2-CE1 4.14Å; E198-Y201 HydrophobicContact CB-CD2 4.32Å; E198-Y201 HydrophobicContact CB-CE2 4.26Å; E198-Y201 HydrophobicContact CG-CD2 4.49Å; E198-Y201 HydrophobicContact CG-CE2 4.04Å; E198-Y201 WeakPolarHBondContact O-CB 3.36Å; E198-Y201 WeakPolarHBondContact O-CD2 3.27Å; E198-Y201 PolarHBondContact O-N 3.45Å; P199-Y201 PolarHBondContact O-N 3.35Å; Y201-L203 PolarHBondContact O-N 2.84Å; Y201-F204 HydrophobicContact CD1-CD2 4.48Å; Y201-F204 AromaticContact CD1-CE2 3.75Å; Y201-F204 HydrophobicContact CD1-CE2 3.75Å; Y201-F204 HydrophobicContact CG-CD2 4.48Å; Y201-F204 HydrophobicContact CG-CE2 4.02Å; Y201-F204 WeakPolarHBondContact O-CD2 3.48Å; Y201-F204 PolarHBondContact O-N 2.93Å; Y201-V216 HydrophobicContact CE1-CG1 3.91Å; Y201-H219 PolarHBondContact OH-CD2 3.25Å; Y201-F220 HydrophobicContact CD1-CE2 4.05Å; Y201-F220 HydrophobicContact CD1-CZ 4.18Å; Y201-F220 HydrophobicContact CD2-CE2 4.07Å; Y201-F220 AromaticContact CD2-CZ 3.51Å; Y201-F220 HydrophobicContact CD2-CZ 3.51Å; Y201-F220 AromaticContact CE1-CE2 3.67Å; Y201-F220 HydrophobicContact CE1-CE2 3.67Å; Y201-F220 HydrophobicContact CE1-CZ 4.12Å; Y201-F220 HydrophobicContact CE2-CE1 4.41Å; Y201-F220 AromaticContact CE2-CE2 3.65Å; Y201-F220 HydrophobicContact CE2-CE2 3.65Å; Y201-F220 AromaticContact CE2-CZ 3.39Å; Y201-F220 HydrophobicContact CE2-CZ 3.39Å; Y201-F220 HydrophobicContact CG-CE2 4.27Å; Y201-F220 AromaticContact CG-CZ 3.92Å; Y201-F220 HydrophobicContact CG-CZ 3.92Å; Y201-F220 AromaticContact CZ-CE2 3.45Å; Y201-F220 VanDerWaalsContact CZ-CE2 3.45Å; Y201-F220 AromaticContact CZ-CZ 3.75Å
202	E	98	Very high	97.8	Very high	115 Å²	115	43.6 Å²	43.6	54%	0.537	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-63.6	-16.3	167.5	-65.3	-176.7	-170.8	0	0	112.9	A164 V168 P199 L200 P205	A164-E202 HydrophobicContact CB-CB 4.49Å; V168-E202 HydrophobicContact CG2-CB 4.41Å; P199-E202 WeakPolarHBondContact O-CB 3.23Å; P199-E202 PolarHBondContact O-N 3.23Å; L200-E202 PolarHBondContact O-N 2.94Å; E202-P205 WeakPolarHBondContact O-CD 3.43Å
203	L	98.6	Very high	97.8	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-85	-17.3	-180	-60	171.7	0	0	0	113.7	A164 Q167 V168 I171 V191 I193 L200 Y201 P205 C206	A164-L203 HydrophobicContact CB-CD1 4.41Å; A164-L203 HydrophobicContact CB-CD2 4.46Å; A164-L203 HydrophobicContact CB-CG 4.19Å; Q167-L203 HydrophobicContact CB-CD2 3.99Å; V168-L203 HydrophobicContact CG2-CD2 3.96Å; I171-L203 HydrophobicContact CD1-CD2 4.25Å; V191-L203 HydrophobicContact CB-CB 4.49Å; V191-L203 HydrophobicContact CG2-CB 4.42Å; I193-L203 HydrophobicContact CD1-CB 4.21Å; I193-L203 HydrophobicContact CG1-CB 4.31Å; L200-L203 HydrophobicContact CD2-CD1 4.42Å; L200-L203 VanDerWaalsContact O-CB 3.28Å; L200-L203 WeakPolarHBondContact O-CB 3.23Å; L200-L203 WeakPolarHBondContact O-CG 3.41Å; L200-L203 PolarHBondContact O-N 2.91Å; Y201-L203 PolarHBondContact O-N 2.84Å; L203-P205 VanDerWaalsContact C-N 3.33Å; L203-C206 WeakPolarHBondContact O-CB 3.47Å; L203-C206 PolarHBondContact O-N 3.01Å
204	F	98.7	Very high	97.7	Very high	1 Å²	1	45.7 Å²	45.7	0%	0.004	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.7	-47.3	177	-82.9	-67.9	0	0	0	113.3	I193 Y201 C206 V210 V212 F220 L232 R235 V236 L242	I193-F204 HydrophobicContact CD1-CB 4.41Å; I193-F204 HydrophobicContact CD1-CD1 3.69Å; I193-F204 HydrophobicContact CD1-CD2 3.77Å; I193-F204 HydrophobicContact CD1-CE1 3.77Å; I193-F204 HydrophobicContact CD1-CE2 3.85Å; I193-F204 HydrophobicContact CD1-CG 3.67Å; I193-F204 HydrophobicContact CD1-CZ 3.84Å; Y201-F204 HydrophobicContact CD1-CD2 4.48Å; Y201-F204 AromaticContact CD1-CE2 3.75Å; Y201-F204 HydrophobicContact CD1-CE2 3.75Å; Y201-F204 HydrophobicContact CG-CD2 4.48Å; Y201-F204 HydrophobicContact CG-CE2 4.02Å; Y201-F204 WeakPolarHBondContact O-CD2 3.48Å; Y201-F204 PolarHBondContact O-N 2.93Å; F204-C206 PolarHBondContact O-N 3.01Å; F204-V210 HydrophobicContact CD1-CG1 3.94Å; F204-V210 HydrophobicContact CE1-CG1 4.33Å; F204-V210 WeakPolarHBondContact O-CG2 3.25Å; F204-V212 HydrophobicContact CE1-CB 4.41Å; F204-V212 HydrophobicContact CE1-CG2 4.35Å; F204-V212 HydrophobicContact CZ-CG2 4.24Å; F204-F220 HydrophobicContact CE2-CE2 4.42Å; F204-F220 HydrophobicContact CE2-CZ 4.47Å; F204-L232 HydrophobicContact CE1-CB 4.44Å; F204-L232 HydrophobicContact CE1-CD1 4.45Å; F204-L232 HydrophobicContact CZ-CD1 4.23Å; F204-L232 HydrophobicContact CZ-CD2 4.33Å; F204-R235 CarbonylContact C-O 3.57Å; F204-R235 HydrophobicContact CB-CB 3.8Å; F204-R235 WeakPolarHBondContact CB-O 3.45Å; F204-R235 HydrophobicContact CD1-CB 4.39Å; F204-R235 HydrophobicContact CD2-CB 4.32Å; F204-R235 HydrophobicContact CG-CB 3.95Å; F204-V236 HydrophobicContact CD1-CG1 4.32Å; F204-V236 WeakPolarHBondContact O-CA 3.5Å; F204-L242 HydrophobicContact CE1-CD1 4.35Å
205	P	98.5	Very high	97.7	Very high	64 Å²	64	47.6 Å²	47.6	42%	0.416	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80	7.8	-179.2	32.8	-39	0	0	0	114.7	E202 L203 K237	E202-P205 WeakPolarHBondContact O-CD 3.43Å; L203-P205 VanDerWaalsContact C-N 3.33Å; P205-K237 WeakPolarHBondContact O-CB 3.5Å
206	C	98.2	Very high	97.8	Very high	13 Å²	13	43 Å²	43	9%	0.088	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.2	-38.1	-170.7	-61.2	0	0	0	0	113.8	I171 V191 L203 F204 K237	I171-C206 HydrophobicContact CD1-CB 3.65Å; I171-C206 HydrophobicContact CG2-CB 4.05Å; V191-C206 HydrophobicContact CG1-CB 4.44Å; L203-C206 WeakPolarHBondContact O-CB 3.47Å; L203-C206 PolarHBondContact O-N 3.01Å; F204-C206 PolarHBondContact O-N 3.01Å; C206-K237 PolarHBondContact O-NZ 3.34Å
207	G	97.2	Very high	98	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.199	C	C	.	.			trans	-82.8	145.8	-174.1	0	0	0	0	0	114.4	K237 A240	G207-K237 VanDerWaalsContact C-CE 3.4Å; G207-K237 WeakPolarHBondContact O-CE 3.22Å; G207-K237 WeakPolarHBondContact O-CG 3.13Å; G207-A240 WeakPolarHBondContact O-CB 3.38Å
208	D	98.6	Very high	98.1	Very high	58 Å²	58	38.1 Å²	38.1	31%	0.31	19%	0.193	S	C	.	.	S	Bend	trans	-68.6	-30.9	158.8	-53.9	-48.4	0	0	0	110.3	I189 K237 A240 V241	I189-D208 PolarHBondContact N-OD2 3.21Å; I189-D208 WeakPolarHBondContact O-CA 3.22Å; I189-D208 WeakPolarHBondContact O-CB 3.37Å; I189-D208 PolarHBondContact O-N 3.25Å; D208-K237 WeakPolarHBondContact OD1-CE 3.42Å; D208-K237 IonicContact OD1-NZ 3.63Å; D208-K237 PolarHBondContact OD1-NZ 3.34Å; D208-A240 CarbonylContact O-C 3.56Å; D208-A240 VanDerWaalsContact O-CA 3.24Å; D208-A240 WeakPolarHBondContact O-CA 3.33Å; D208-A240 WeakPolarHBondContact O-CB 3.46Å; D208-V241 PolarHBondContact O-N 3.37Å
209	V	98.9	Very high	98.2	Very high	6 Å²	6	36 Å²	36	4%	0.036	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	127.5	170.3	-177.3	0	0	0	0	109.2	W156 I189 S190 V191 F211 V241 I243 L289	W156-V209 HydrophobicContact CH2-CG2 4.07Å; W156-V209 HydrophobicContact CZ2-CB 4.42Å; W156-V209 HydrophobicContact CZ2-CG2 3.85Å; I189-V209 PolarHBondContact O-N 2.98Å; I189-V209 VanDerWaalsContact O-N 3.14Å; S190-V209 CarbonylContact C-O 3.58Å; S190-V209 WeakPolarHBondContact CA-O 3.19Å; S190-V209 WeakPolarHBondContact CB-O 3.49Å; V191-V209 PolarHBondContact N-O 2.81Å; V209-F211 HydrophobicContact CG1-CD2 4.37Å; V209-F211 HydrophobicContact CG1-CE1 4.49Å; V209-F211 HydrophobicContact CG1-CE2 3.83Å; V209-F211 HydrophobicContact CG1-CZ 3.9Å; V209-V241 CarbonylContact C-O 3.5Å; V209-V241 WeakPolarHBondContact CA-O 3.47Å; V209-I243 HydrophobicContact CG1-CD1 3.65Å; V209-I243 HydrophobicContact CG1-CG1 4.23Å; V209-L289 HydrophobicContact CG1-CD1 4.46Å; V209-L289 HydrophobicContact CG2-CD1 3.73Å
210	V	98.9	Very high	98.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	119.6	179.2	-178.8	0	0	0	0	108.5	V191 I193 F204 V236 V241 L242 I243	V191-V210 HydrophobicContact CG2-CB 4.21Å; V191-V210 HydrophobicContact CG2-CG1 3.96Å; V191-V210 HydrophobicContact CG2-CG2 3.87Å; V191-V210 WeakPolarHBondContact O-CA 3.46Å; I193-V210 HydrophobicContact CD1-CG1 4.27Å; F204-V210 HydrophobicContact CD1-CG1 3.94Å; F204-V210 HydrophobicContact CE1-CG1 4.33Å; F204-V210 WeakPolarHBondContact O-CG2 3.25Å; V210-V236 HydrophobicContact CB-CG1 4.21Å; V210-V236 HydrophobicContact CG1-CG1 4.5Å; V210-V236 HydrophobicContact CG2-CB 4.46Å; V210-V236 HydrophobicContact CG2-CG1 3.94Å; V210-V241 PolarHBondContact N-O 2.91Å; V210-L242 HydrophobicContact CB-CD1 3.76Å; V210-L242 HydrophobicContact CG1-CD1 3.64Å; V210-I243 PolarHBondContact O-N 3.24Å
211	F	98.9	Very high	98.3	Very high	6 Å²	6	37.3 Å²	37.3	3%	0.026	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.2	170.5	-59.3	-88.4	0	0	0	108.7	H158 V191 E192 I193 V209 I243 F281 N282 V285 L286	H158-F211 AromaticContact CE1-CD2 3.94Å; V191-F211 PolarHBondContact O-N 2.98Å; E192-F211 HydrophobicContact CB-CB 4.34Å; E192-F211 HydrophobicContact CG-CB 4.5Å; I193-F211 PolarHBondContact N-O 2.83Å; V209-F211 HydrophobicContact CG1-CD2 4.37Å; V209-F211 HydrophobicContact CG1-CE1 4.49Å; V209-F211 HydrophobicContact CG1-CE2 3.83Å; V209-F211 HydrophobicContact CG1-CZ 3.9Å; F211-I243 WeakPolarHBondContact CA-O 3.27Å; F211-I243 HydrophobicContact CD1-CB 4.01Å; F211-I243 HydrophobicContact CD1-CD1 4.49Å; F211-I243 HydrophobicContact CD1-CG2 4.02Å; F211-I243 HydrophobicContact CE1-CB 4.32Å; F211-I243 HydrophobicContact CE1-CD1 3.96Å; F211-I243 HydrophobicContact CE1-CG2 4.21Å; F211-I243 HydrophobicContact CZ-CD1 4.42Å; F211-F281 HydrophobicContact CD1-CE1 4.16Å; F211-F281 HydrophobicContact CE1-CE1 4.1Å; F211-N282 VanDerWaalsContact CD1-OD1 3.27Å; F211-N282 WeakPolarHBondContact CD1-OD1 3.33Å; F211-N282 HydrophobicContact CE1-CB 4.43Å; F211-N282 HydrophobicContact CZ-CB 4.47Å; F211-V285 HydrophobicContact CE1-CB 3.9Å; F211-V285 HydrophobicContact CE1-CG1 3.79Å; F211-V285 HydrophobicContact CE1-CG2 4.15Å; F211-V285 HydrophobicContact CZ-CB 3.89Å; F211-V285 HydrophobicContact CZ-CG1 3.62Å; F211-L286 HydrophobicContact CE2-CD2 4.17Å; F211-L286 HydrophobicContact CE2-CG 4.48Å; F211-L286 HydrophobicContact CZ-CD2 4.44Å; F211-L286 HydrophobicContact CZ-CG 4.46Å
212	V	98.8	Very high	98.3	Very high	5 Å²	5	38.1 Å²	38.1	3%	0.03	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	129.4	172.6	63.5	0	0	0	0	109.7	F204 V216 L232 L242 I243 C244	F204-V212 HydrophobicContact CE1-CB 4.41Å; F204-V212 HydrophobicContact CE1-CG2 4.35Å; F204-V212 HydrophobicContact CZ-CG2 4.24Å; V212-V216 HydrophobicContact CG2-CB 3.82Å; V212-V216 HydrophobicContact CG2-CG1 3.54Å; V212-L232 HydrophobicContact CG1-CD1 4.4Å; V212-L232 HydrophobicContact CG2-CD1 4.02Å; V212-L242 HydrophobicContact CB-CD1 4.35Å; V212-L242 HydrophobicContact CG1-CD1 3.95Å; V212-L242 HydrophobicContact CG1-CG 4.37Å; V212-I243 PolarHBondContact N-O 2.82Å; V212-C244 HydrophobicContact CG1-CB 3.86Å; V212-C244 PolarHBondContact O-SG 2.85Å
213	S	98.4	Very high	98.2	Very high	22 Å²	22	39.1 Å²	39.1	15%	0.154	21%	0.209	C	C	.	.			trans	-72.2	156.5	-179.7	71.8	0	0	0	0	112.2	I193 E194 D215 V216 A217	I193-S213 PolarHBondContact O-N 2.81Å; I193-S213 VanDerWaalsContact O-N 3.13Å; E194-S213 PolarHBondContact O-OG 2.82Å; S213-D215 PolarHBondContact O-N 2.82Å; S213-D215 PolarHBondContact OG-N 3.36Å; S213-V216 PolarHBondContact O-N 3.2Å; S213-V216 WeakPolarHBondContact OG-CG2 3.08Å; S213-V216 PolarHBondContact OG-N 2.94Å; S213-V216 VanDerWaalsContact OG-N 3.1Å; S213-A217 WeakPolarHBondContact O-CB 3.32Å; S213-A217 PolarHBondContact O-N 3.15Å
214	K	97.8	Very high	98.2	Very high	36 Å²	36	41.1 Å²	41.1	16%	0.157	22%	0.223	C	C	.	.	H	α-helix	trans	-52.7	-36.9	168.5	176.3	173.2	179.4	175.5	0	112.4	R218 W246 E248	K214-R218 WeakPolarHBondContact O-CB 3.47Å; K214-R218 VanDerWaalsContact O-CG 3.28Å; K214-R218 WeakPolarHBondContact O-CG 3.49Å; K214-R218 PolarHBondContact O-N 2.85Å; K214-W246 HydrophobicContact CB-CD2 4.24Å; K214-W246 HydrophobicContact CB-CE3 4.08Å; K214-W246 HydrophobicContact CB-CZ3 4.32Å; K214-W246 HydrophobicContact CD-CD2 4.07Å; K214-W246 HydrophobicContact CD-CG 4.1Å; K214-W246 HydrophobicContact CG-CD2 3.85Å; K214-W246 HydrophobicContact CG-CE3 4.11Å; K214-W246 HydrophobicContact CG-CG 4.41Å; K214-W246 HydrophobicContact CG-CH2 4.22Å; K214-W246 HydrophobicContact CG-CZ2 3.95Å; K214-W246 HydrophobicContact CG-CZ3 4.29Å; K214-E248 IonicContact NZ-OE1 3.79Å
215	D	96.9	Very high	98.1	Very high	87 Å²	87	41.8 Å²	41.8	47%	0.465	23%	0.228	S	C	.	.	H	α-helix	trans	-73.7	-40	-178.2	-64	-30.8	0	0	0	111.8	T196 S213 R218 H219	T196-D215 HydrophobicContact CG2-CB 4.5Å; S213-D215 PolarHBondContact O-N 2.82Å; S213-D215 PolarHBondContact OG-N 3.36Å; D215-R218 PolarHBondContact O-N 3.08Å; D215-H219 WeakPolarHBondContact O-CB 3.33Å; D215-H219 PolarHBondContact O-N 2.99Å
216	V	98.2	Very high	98.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63.6	-46.5	171.2	172.3	0	0	0	0	110.6	I193 E194 K195 T196 Y201 V212 S213 R218 H219 F220	I193-V216 HydrophobicContact CG2-CG1 4.27Å; I193-V216 HydrophobicContact CG2-CG2 4.26Å; E194-V216 WeakPolarHBondContact O-CG2 3.27Å; K195-V216 WeakPolarHBondContact O-CG2 3.36Å; T196-V216 HydrophobicContact CG2-CG2 4.23Å; Y201-V216 HydrophobicContact CE1-CG1 3.91Å; V212-V216 HydrophobicContact CG2-CB 3.82Å; V212-V216 HydrophobicContact CG2-CG1 3.54Å; S213-V216 PolarHBondContact O-N 3.2Å; S213-V216 WeakPolarHBondContact OG-CG2 3.08Å; S213-V216 PolarHBondContact OG-N 2.94Å; S213-V216 VanDerWaalsContact OG-N 3.1Å; V216-R218 VanDerWaalsContact C-N 3.32Å; V216-R218 PolarHBondContact O-N 2.94Å; V216-H219 WeakPolarHBondContact O-CB 3.19Å; V216-H219 PolarHBondContact O-N 3.13Å; V216-H219 VanDerWaalsContact O-N 3.12Å; V216-F220 HydrophobicContact CG1-CD2 3.92Å; V216-F220 HydrophobicContact CG1-CE2 3.84Å; V216-F220 VanDerWaalsContact O-CD2 3.31Å; V216-F220 WeakPolarHBondContact O-CD2 3.44Å; V216-F220 PolarHBondContact O-N 3.01Å; V216-F220 VanDerWaalsContact O-N 3.08Å
217	A	98.3	Very high	98.1	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-54.9	-46.8	176	0	0	0	0	0	112.5	S213 H219 F220 G221 F222 A228 W246	S213-A217 WeakPolarHBondContact O-CB 3.32Å; S213-A217 PolarHBondContact O-N 3.15Å; A217-H219 PolarHBondContact O-N 3.05Å; A217-F220 PolarHBondContact O-N 3.24Å; A217-G221 PolarHBondContact O-N 3.21Å; A217-F222 WeakPolarHBondContact O-CB 3.26Å; A217-F222 WeakPolarHBondContact O-CD2 3.49Å; A217-F222 PolarHBondContact O-N 3.12Å; A217-A228 HydrophobicContact CB-CB 3.54Å; A217-W246 HydrophobicContact CB-CH2 3.61Å; A217-W246 HydrophobicContact CB-CZ3 3.48Å; A217-W246 VanDerWaalsContact CB-CZ3 3.48Å
218	R	98.2	Very high	98.1	Very high	126 Å²	126	43.8 Å²	43.8	48%	0.475	24%	0.236	S	C	.	.	H	α-helix	trans	-64.1	-38	175.7	-77.6	171.3	163.9	-179.6	-9.7	113.2	K214 D215 V216 F220 G221 F222 W246	K214-R218 WeakPolarHBondContact O-CB 3.47Å; K214-R218 VanDerWaalsContact O-CG 3.28Å; K214-R218 WeakPolarHBondContact O-CG 3.49Å; K214-R218 PolarHBondContact O-N 2.85Å; D215-R218 PolarHBondContact O-N 3.08Å; V216-R218 VanDerWaalsContact C-N 3.32Å; V216-R218 PolarHBondContact O-N 2.94Å; R218-F220 PolarHBondContact O-N 3.31Å; R218-G221 WeakPolarHBondContact O-CA 3.43Å; R218-G221 PolarHBondContact O-N 3.25Å; R218-F222 WeakPolarHBondContact CA-O 3.49Å; R218-W246 HydrophobicContact CG-CH2 4.47Å; R218-W246 HydrophobicContact CG-CZ2 4.39Å
219	H	98.1	Very high	98.1	Very high	103 Å²	103	41 Å²	41	48%	0.477	22%	0.222	S	C	.	.	H	α-helix	trans	-61.8	-32.6	175.4	179.1	82.4	0	0	0	112.3	T196 Y201 D215 V216 A217 G221	T196-H219 HydrophobicContact CG2-CB 3.62Å; Y201-H219 PolarHBondContact OH-CD2 3.25Å; D215-H219 WeakPolarHBondContact O-CB 3.33Å; D215-H219 PolarHBondContact O-N 2.99Å; V216-H219 WeakPolarHBondContact O-CB 3.19Å; V216-H219 PolarHBondContact O-N 3.13Å; V216-H219 VanDerWaalsContact O-N 3.12Å; A217-H219 PolarHBondContact O-N 3.05Å; H219-G221 PolarHBondContact O-N 3.27Å
220	F	97.9	Very high	98.1	Very high	56 Å²	56	46.6 Å²	46.6	25%	0.246	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.8	1	170.5	-80.6	-84.2	0	0	0	114.3	Y201 F204 V216 A217 R218 F222 L232	Y201-F220 HydrophobicContact CD1-CE2 4.05Å; Y201-F220 HydrophobicContact CD1-CZ 4.18Å; Y201-F220 HydrophobicContact CD2-CE2 4.07Å; Y201-F220 AromaticContact CD2-CZ 3.51Å; Y201-F220 HydrophobicContact CD2-CZ 3.51Å; Y201-F220 AromaticContact CE1-CE2 3.67Å; Y201-F220 HydrophobicContact CE1-CE2 3.67Å; Y201-F220 HydrophobicContact CE1-CZ 4.12Å; Y201-F220 HydrophobicContact CE2-CE1 4.41Å; Y201-F220 AromaticContact CE2-CE2 3.65Å; Y201-F220 HydrophobicContact CE2-CE2 3.65Å; Y201-F220 AromaticContact CE2-CZ 3.39Å; Y201-F220 HydrophobicContact CE2-CZ 3.39Å; Y201-F220 HydrophobicContact CG-CE2 4.27Å; Y201-F220 AromaticContact CG-CZ 3.92Å; Y201-F220 HydrophobicContact CG-CZ 3.92Å; Y201-F220 AromaticContact CZ-CE2 3.45Å; Y201-F220 VanDerWaalsContact CZ-CE2 3.45Å; Y201-F220 AromaticContact CZ-CZ 3.75Å; F204-F220 HydrophobicContact CE2-CE2 4.42Å; F204-F220 HydrophobicContact CE2-CZ 4.47Å; V216-F220 HydrophobicContact CG1-CD2 3.92Å; V216-F220 HydrophobicContact CG1-CE2 3.84Å; V216-F220 VanDerWaalsContact O-CD2 3.31Å; V216-F220 WeakPolarHBondContact O-CD2 3.44Å; V216-F220 PolarHBondContact O-N 3.01Å; V216-F220 VanDerWaalsContact O-N 3.08Å; A217-F220 PolarHBondContact O-N 3.24Å; R218-F220 PolarHBondContact O-N 3.31Å; F220-F222 HydrophobicContact CB-CD2 3.62Å; F220-F222 HydrophobicContact CB-CE2 3.48Å; F220-F222 VanDerWaalsContact CB-CE2 3.48Å; F220-F222 HydrophobicContact CB-CZ 4.5Å; F220-F222 HydrophobicContact CG-CE2 4.36Å; F220-L232 HydrophobicContact CB-CD2 4.47Å; F220-L232 HydrophobicContact CD1-CD2 4.06Å; F220-L232 HydrophobicContact CD2-CD2 4.08Å; F220-L232 HydrophobicContact CE1-CD2 4.28Å; F220-L232 HydrophobicContact CE2-CD2 4.3Å; F220-L232 HydrophobicContact CG-CD2 3.96Å; F220-L232 HydrophobicContact CZ-CD2 4.4Å
221	G	98.2	Very high	98.1	Very high	56 Å²	56	48.3 Å²	48.3	58%	0.577	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	21.2	179.1	0	0	0	0	0	114.7	A217 R218 H219	A217-G221 PolarHBondContact O-N 3.21Å; R218-G221 WeakPolarHBondContact O-CA 3.43Å; R218-G221 PolarHBondContact O-N 3.25Å; H219-G221 PolarHBondContact O-N 3.27Å
222	F	98.4	Very high	98.1	Very high	47 Å²	47	48 Å²	48	21%	0.206	26%	0.262	C	S	.	.			trans	-100.9	126.9	176.7	-53.9	-64.3	0	0	0	112	A217 R218 F220 A227 A228 L232	A217-F222 WeakPolarHBondContact O-CB 3.26Å; A217-F222 WeakPolarHBondContact O-CD2 3.49Å; A217-F222 PolarHBondContact O-N 3.12Å; R218-F222 WeakPolarHBondContact CA-O 3.49Å; F220-F222 HydrophobicContact CB-CD2 3.62Å; F220-F222 HydrophobicContact CB-CE2 3.48Å; F220-F222 VanDerWaalsContact CB-CE2 3.48Å; F220-F222 HydrophobicContact CB-CZ 4.5Å; F220-F222 HydrophobicContact CG-CE2 4.36Å; F222-A227 HydrophobicContact CB-CB 4.35Å; F222-A227 HydrophobicContact CD1-CB 4.11Å; F222-A228 HydrophobicContact CB-CB 3.8Å; F222-A228 HydrophobicContact CD2-CB 4.07Å; F222-A228 HydrophobicContact CG-CB 4.1Å; F222-L232 HydrophobicContact CD2-CD1 4.39Å; F222-L232 HydrophobicContact CD2-CG 4.31Å; F222-L232 HydrophobicContact CE2-CD1 4.24Å; F222-L232 HydrophobicContact CE2-CD2 3.88Å; F222-L232 HydrophobicContact CE2-CG 3.7Å
223	D	96.9	Very high	98.1	Very high	135 Å²	135	50.2 Å²	50.2	72%	0.722	27%	0.27	S	S	*	.			trans	-99.1	-1.8	-177.1	-67.6	-43.4	0	0	0	114.5
224	S	97.9	Very high	98.1	Very high	43 Å²	43	54.4 Å²	54.4	30%	0.301	30%	0.297	S	S	.	.	S	Bend	trans	-140.5	154.2	177.5	73.9	0	0	0	0	111.4	E226 A227 A228	S224-E226 VanDerWaalsContact C-N 3.32Å; S224-E226 PolarHBondContact O-N 3.25Å; S224-A227 PolarHBondContact O-N 3.02Å; S224-A227 VanDerWaalsContact OG-CB 3.31Å; S224-A227 WeakPolarHBondContact OG-CB 3.45Å; S224-A227 PolarHBondContact OG-N 3.47Å; S224-A227 VanDerWaalsContact OG-N 3.15Å; S224-A228 WeakPolarHBondContact O-CB 3.03Å; S224-A228 PolarHBondContact O-N 2.9Å
225	P	97.1	Very high	98.1	Very high	15 Å²	15	58.4 Å²	58.4	10%	0.097	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-40.4	176.8	25.7	-33.2	0	0	0	111.2	A227 A228 L229 C244 W246 D252	P225-A227 PolarHBondContact O-N 3.01Å; P225-A228 WeakPolarHBondContact O-CB 3.41Å; P225-A228 PolarHBondContact O-N 3.47Å; P225-L229 WeakPolarHBondContact O-CB 3.47Å; P225-L229 VanDerWaalsContact O-CG 3.23Å; P225-L229 WeakPolarHBondContact O-CG 3.36Å; P225-L229 PolarHBondContact O-N 2.99Å; P225-C244 HydrophobicContact CB-CB 4.35Å; P225-W246 HydrophobicContact CB-CB 4.29Å; P225-W246 HydrophobicContact CB-CD2 4.18Å; P225-W246 HydrophobicContact CB-CE3 3.72Å; P225-W246 HydrophobicContact CB-CG 4.45Å; P225-W246 HydrophobicContact CB-CZ3 4.35Å; P225-W246 HydrophobicContact CG-CB 4.08Å; P225-W246 HydrophobicContact CG-CD2 4.26Å; P225-W246 HydrophobicContact CG-CE3 4.3Å; P225-W246 HydrophobicContact CG-CG 4.19Å; P225-D252 HydrophobicContact CB-CB 3.98Å; P225-D252 HydrophobicContact CG-CB 4.45Å; P225-D252 VanDerWaalsContact CG-OD2 3.3Å; P225-D252 WeakPolarHBondContact CG-OD2 3.46Å
226	E	97.8	Very high	98.2	Very high	83 Å²	83	55 Å²	55	39%	0.388	29%	0.293	S	S	.	.	H	α-helix	trans	-56.1	-48.6	174.8	176	178.3	-179.4	0	0	112.8	S224 A228 L229 K230 L260	S224-E226 VanDerWaalsContact C-N 3.32Å; S224-E226 PolarHBondContact O-N 3.25Å; E226-A228 VanDerWaalsContact C-N 3.33Å; E226-L229 PolarHBondContact O-N 2.97Å; E226-K230 HydrophobicContact CG-CD 4.12Å; E226-K230 WeakPolarHBondContact O-CG 3.34Å; E226-K230 PolarHBondContact O-N 3.03Å; E226-K230 WeakPolarHBondContact OE1-CE 3.4Å; E226-K230 IonicContact OE1-NZ 2.62Å; E226-K230 PolarHBondContact OE1-NZ 3.02Å; E226-L260 HydrophobicContact CB-CD2 3.91Å; E226-L260 HydrophobicContact CG-CD2 3.63Å
227	A	98.3	Very high	98.2	Very high	36 Å²	36	57.2 Å²	57.2	30%	0.298	30%	0.303	S	S	.	.	H	α-helix	trans	-64.8	-41.1	179.9	0	0	0	0	0	111	F222 S224 P225 G231	F222-A227 HydrophobicContact CB-CB 4.35Å; F222-A227 HydrophobicContact CD1-CB 4.11Å; S224-A227 PolarHBondContact O-N 3.02Å; S224-A227 VanDerWaalsContact OG-CB 3.31Å; S224-A227 WeakPolarHBondContact OG-CB 3.45Å; S224-A227 PolarHBondContact OG-N 3.47Å; S224-A227 VanDerWaalsContact OG-N 3.15Å; P225-A227 PolarHBondContact O-N 3.01Å; A227-G231 PolarHBondContact O-N 3.47Å
228	A	98.5	Very high	98.1	Very high	0 Å²	0	67.4 Å²	67.4	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-61.8	-47.2	176.6	0	0	0	0	0	111.9	A217 F222 S224 P225 E226 G231 L232 W246	A217-A228 HydrophobicContact CB-CB 3.54Å; F222-A228 HydrophobicContact CB-CB 3.8Å; F222-A228 HydrophobicContact CD2-CB 4.07Å; F222-A228 HydrophobicContact CG-CB 4.1Å; S224-A228 WeakPolarHBondContact O-CB 3.03Å; S224-A228 PolarHBondContact O-N 2.9Å; P225-A228 WeakPolarHBondContact O-CB 3.41Å; P225-A228 PolarHBondContact O-N 3.47Å; E226-A228 VanDerWaalsContact C-N 3.33Å; A228-G231 PolarHBondContact O-N 2.9Å; A228-L232 WeakPolarHBondContact O-CB 3.49Å; A228-L232 VanDerWaalsContact O-CG 3.31Å; A228-L232 WeakPolarHBondContact O-CG 3.29Å; A228-L232 PolarHBondContact O-N 3.32Å; A228-W246 HydrophobicContact CB-CZ3 4.31Å
229	L	98.8	Very high	98	Very high	0 Å²	0	63.7 Å²	63.7	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-61.1	-52.1	178.2	-69.8	176.9	0	0	0	110.8	P225 E226 G231 L232 Y233 L242 C244 D252 L254 L260	P225-L229 WeakPolarHBondContact O-CB 3.47Å; P225-L229 VanDerWaalsContact O-CG 3.23Å; P225-L229 WeakPolarHBondContact O-CG 3.36Å; P225-L229 PolarHBondContact O-N 2.99Å; E226-L229 PolarHBondContact O-N 2.97Å; L229-G231 VanDerWaalsContact C-N 3.31Å; L229-G231 PolarHBondContact O-N 3.49Å; L229-L232 PolarHBondContact O-N 3.39Å; L229-Y233 WeakPolarHBondContact O-CB 3.39Å; L229-Y233 PolarHBondContact O-N 3.16Å; L229-L242 HydrophobicContact CD2-CB 3.97Å; L229-L242 HydrophobicContact CD2-CD2 3.78Å; L229-L242 HydrophobicContact CD2-CG 3.53Å; L229-L242 WeakPolarHBondContact CD2-O 3.48Å; L229-C244 HydrophobicContact CD2-CB 3.96Å; L229-C244 HydrophobicContact CG-CB 4.23Å; L229-D252 HydrophobicContact CD1-CB 3.37Å; L229-L254 HydrophobicContact CB-CB 4.02Å; L229-L254 HydrophobicContact CB-CD2 4.31Å; L229-L254 HydrophobicContact CD1-CB 4.26Å; L229-L260 HydrophobicContact CB-CD1 4.48Å; L229-L260 HydrophobicContact CD1-CD1 3.64Å
230	K	98.4	Very high	98.1	Very high	122 Å²	122	58.8 Å²	58.8	53%	0.53	33%	0.325	S	S	.	.	H	α-helix	trans	-59.6	-41	178.6	-73.3	175.7	174.7	174.3	0	112.6	E226	E226-K230 HydrophobicContact CG-CD 4.12Å; E226-K230 WeakPolarHBondContact O-CG 3.34Å; E226-K230 PolarHBondContact O-N 3.03Å; E226-K230 WeakPolarHBondContact OE1-CE 3.4Å; E226-K230 IonicContact OE1-NZ 2.62Å; E226-K230 PolarHBondContact OE1-NZ 3.02Å
231	G	98.4	Very high	98.1	Very high	36 Å²	36	57 Å²	57	37%	0.371	32%	0.319	S	S	.	.	H	α-helix	trans	-75.8	-30.7	-177.6	0	0	0	0	0	114.5	A227 A228 L229	A227-G231 PolarHBondContact O-N 3.47Å; A228-G231 PolarHBondContact O-N 2.9Å; L229-G231 VanDerWaalsContact C-N 3.31Å; L229-G231 PolarHBondContact O-N 3.49Å
232	L	98.6	Very high	98.2	Very high	1 Å²	1	54.3 Å²	54.3	1%	0.005	29%	0.291	C	S	.	.	H	α-helix	trans	-100.1	-18.6	-176.5	-63.3	173.5	0	0	0	113.7	F204 V212 F220 F222 A228 L229 P234 R235 L242	F204-L232 HydrophobicContact CE1-CB 4.44Å; F204-L232 HydrophobicContact CE1-CD1 4.45Å; F204-L232 HydrophobicContact CZ-CD1 4.23Å; F204-L232 HydrophobicContact CZ-CD2 4.33Å; V212-L232 HydrophobicContact CG1-CD1 4.4Å; V212-L232 HydrophobicContact CG2-CD1 4.02Å; F220-L232 HydrophobicContact CB-CD2 4.47Å; F220-L232 HydrophobicContact CD1-CD2 4.06Å; F220-L232 HydrophobicContact CD2-CD2 4.08Å; F220-L232 HydrophobicContact CE1-CD2 4.28Å; F220-L232 HydrophobicContact CE2-CD2 4.3Å; F220-L232 HydrophobicContact CG-CD2 3.96Å; F220-L232 HydrophobicContact CZ-CD2 4.4Å; F222-L232 HydrophobicContact CD2-CD1 4.39Å; F222-L232 HydrophobicContact CD2-CG 4.31Å; F222-L232 HydrophobicContact CE2-CD1 4.24Å; F222-L232 HydrophobicContact CE2-CD2 3.88Å; F222-L232 HydrophobicContact CE2-CG 3.7Å; A228-L232 WeakPolarHBondContact O-CB 3.49Å; A228-L232 VanDerWaalsContact O-CG 3.31Å; A228-L232 WeakPolarHBondContact O-CG 3.29Å; A228-L232 PolarHBondContact O-N 3.32Å; L229-L232 PolarHBondContact O-N 3.39Å; L232-P234 VanDerWaalsContact C-N 3.3Å; L232-R235 VanDerWaalsContact O-CB 3.28Å; L232-R235 WeakPolarHBondContact O-CB 3.37Å; L232-R235 PolarHBondContact O-N 3.44Å; L232-L242 HydrophobicContact CB-CD2 3.82Å
233	Y	98.7	Very high	98.2	Very high	51 Å²	51	52.1 Å²	52.1	20%	0.2	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-54	-35.9	178.8	-165.8	-101.3	0	0	0	114.6	L229 R235 V236 A240 L242 L254 G255 P256	L229-Y233 WeakPolarHBondContact O-CB 3.39Å; L229-Y233 PolarHBondContact O-N 3.16Å; Y233-R235 PolarHBondContact O-N 3.48Å; Y233-V236 HydrophobicContact CD2-CG2 3.85Å; Y233-V236 HydrophobicContact CE2-CG2 3.81Å; Y233-V236 HydrophobicContact CG-CG2 4.32Å; Y233-V236 VanDerWaalsContact O-CG2 3.25Å; Y233-V236 WeakPolarHBondContact O-CG2 3.41Å; Y233-V236 PolarHBondContact O-N 3.25Å; Y233-V236 VanDerWaalsContact O-N 3.08Å; Y233-A240 PolarHBondContact OH-O 2.9Å; Y233-L242 HydrophobicContact CD2-CB 3.99Å; Y233-L254 HydrophobicContact CD1-CD2 4.38Å; Y233-L254 HydrophobicContact CD2-CB 4.13Å; Y233-L254 HydrophobicContact CD2-CD2 3.94Å; Y233-L254 HydrophobicContact CD2-CG 3.87Å; Y233-L254 HydrophobicContact CE2-CG 4.2Å; Y233-L254 VanDerWaalsContact CE2-O 3.23Å; Y233-L254 WeakPolarHBondContact CE2-O 3.31Å; Y233-L254 HydrophobicContact CG-CD2 3.79Å; Y233-L254 HydrophobicContact CG-CG 4.18Å; Y233-G255 PolarHBondContact OH-O 3.15Å; Y233-P256 WeakPolarHBondContact OH-CA 3.22Å
234	P	98.4	Very high	98.3	Very high	110 Å²	110	45.7 Å²	45.7	71%	0.714	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-59.8	-14.6	174.1	-25.9	36.3	0	0	0	115.1	L232	L232-P234 VanDerWaalsContact C-N 3.3Å
235	R	98.4	Very high	98.3	Very high	119 Å²	119	45.3 Å²	45.3	45%	0.449	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-88.1	-17.5	178.6	-58.5	176.8	173.5	-97.2	-0.6	113.3	F204 L232 Y233	F204-R235 CarbonylContact C-O 3.57Å; F204-R235 HydrophobicContact CB-CB 3.8Å; F204-R235 WeakPolarHBondContact CB-O 3.45Å; F204-R235 HydrophobicContact CD1-CB 4.39Å; F204-R235 HydrophobicContact CD2-CB 4.32Å; F204-R235 HydrophobicContact CG-CB 3.95Å; L232-R235 VanDerWaalsContact O-CB 3.28Å; L232-R235 WeakPolarHBondContact O-CB 3.37Å; L232-R235 PolarHBondContact O-N 3.44Å; Y233-R235 PolarHBondContact O-N 3.48Å
236	V	98.6	Very high	98.3	Very high	16 Å²	16	44.7 Å²	44.7	10%	0.097	24%	0.242	C	C	.	.	S	Bend	trans	-83	159	180	-53.2	0	0	0	0	111.6	F204 V210 Y233 A240 L242	F204-V236 HydrophobicContact CD1-CG1 4.32Å; F204-V236 WeakPolarHBondContact O-CA 3.5Å; V210-V236 HydrophobicContact CB-CG1 4.21Å; V210-V236 HydrophobicContact CG1-CG1 4.5Å; V210-V236 HydrophobicContact CG2-CB 4.46Å; V210-V236 HydrophobicContact CG2-CG1 3.94Å; Y233-V236 HydrophobicContact CD2-CG2 3.85Å; Y233-V236 HydrophobicContact CE2-CG2 3.81Å; Y233-V236 HydrophobicContact CG-CG2 4.32Å; Y233-V236 VanDerWaalsContact O-CG2 3.25Å; Y233-V236 WeakPolarHBondContact O-CG2 3.41Å; Y233-V236 PolarHBondContact O-N 3.25Å; Y233-V236 VanDerWaalsContact O-N 3.08Å; V236-A240 HydrophobicContact CB-CB 4.15Å; V236-A240 HydrophobicContact CG2-CB 4.03Å; V236-L242 HydrophobicContact CG1-CB 4.22Å; V236-L242 HydrophobicContact CG1-CD1 3.97Å; V236-L242 HydrophobicContact CG1-CD2 4.5Å; V236-L242 HydrophobicContact CG1-CG 4.45Å
237	K	97.5	Very high	98.2	Very high	46 Å²	46	43.8 Å²	43.8	20%	0.2	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-68.3	155.8	177.1	67.7	-174.3	-166.9	-166.5	0	111.6	P205 C206 G207 D208 G239 A240	P205-K237 WeakPolarHBondContact O-CB 3.5Å; C206-K237 PolarHBondContact O-NZ 3.34Å; G207-K237 VanDerWaalsContact C-CE 3.4Å; G207-K237 WeakPolarHBondContact O-CE 3.22Å; G207-K237 WeakPolarHBondContact O-CG 3.13Å; D208-K237 WeakPolarHBondContact OD1-CE 3.42Å; D208-K237 IonicContact OD1-NZ 3.63Å; D208-K237 PolarHBondContact OD1-NZ 3.34Å; K237-G239 PolarHBondContact O-N 3Å; K237-A240 HydrophobicContact CG-CB 3.81Å; K237-A240 VanDerWaalsContact O-CB 3.26Å; K237-A240 WeakPolarHBondContact O-CB 3.32Å; K237-A240 PolarHBondContact O-N 3.37Å; K237-A240 VanDerWaalsContact O-N 3.08Å
238	K	97.2	Very high	98	Very high	214 Å²	214	48.4 Å²	48.4	93%	0.93	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	127	176.6	-175.5	179.9	179.5	-179.1	0	110.5
239	G	97.1	Very high	97.9	Very high	48 Å²	48	54.1 Å²	54.1	50%	0.495	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	89	-4.3	179	0	0	0	0	0	114.8	K237	K237-G239 PolarHBondContact O-N 3Å
240	A	98.6	Very high	97.9	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.291	C	S	.	.			trans	-76.1	162.3	178.3	0	0	0	0	0	113	G207 D208 Y233 V236 K237	G207-A240 WeakPolarHBondContact O-CB 3.38Å; D208-A240 CarbonylContact O-C 3.56Å; D208-A240 VanDerWaalsContact O-CA 3.24Å; D208-A240 WeakPolarHBondContact O-CA 3.33Å; D208-A240 WeakPolarHBondContact O-CB 3.46Å; Y233-A240 PolarHBondContact OH-O 2.9Å; V236-A240 HydrophobicContact CB-CB 4.15Å; V236-A240 HydrophobicContact CG2-CB 4.03Å; K237-A240 HydrophobicContact CG-CB 3.81Å; K237-A240 VanDerWaalsContact O-CB 3.26Å; K237-A240 WeakPolarHBondContact O-CB 3.32Å; K237-A240 PolarHBondContact O-N 3.37Å; K237-A240 VanDerWaalsContact O-N 3.08Å
241	V	98.9	Very high	97.9	Very high	18 Å²	18	48.5 Å²	48.5	11%	0.109	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	127.3	171.5	-179.2	0	0	0	0	108.6	D208 V209 V210 I243 A253 V295	D208-V241 PolarHBondContact O-N 3.37Å; V209-V241 CarbonylContact C-O 3.5Å; V209-V241 WeakPolarHBondContact CA-O 3.47Å; V210-V241 PolarHBondContact N-O 2.91Å; V241-I243 HydrophobicContact CG1-CD1 4.28Å; V241-I243 HydrophobicContact CG1-CG1 3.88Å; V241-A253 HydrophobicContact CG1-CB 4.06Å; V241-V295 HydrophobicContact CG1-CG1 3.86Å; V241-V295 HydrophobicContact CG1-CG2 4.29Å; V241-V295 HydrophobicContact CG2-CG2 3.96Å
242	L	98.9	Very high	97.9	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	131.1	171.6	-176.1	65.3	0	0	0	108.9	F204 V210 V212 L229 L232 Y233 V236 A253 L254	F204-L242 HydrophobicContact CE1-CD1 4.35Å; V210-L242 HydrophobicContact CB-CD1 3.76Å; V210-L242 HydrophobicContact CG1-CD1 3.64Å; V212-L242 HydrophobicContact CB-CD1 4.35Å; V212-L242 HydrophobicContact CG1-CD1 3.95Å; V212-L242 HydrophobicContact CG1-CG 4.37Å; L229-L242 HydrophobicContact CD2-CB 3.97Å; L229-L242 HydrophobicContact CD2-CD2 3.78Å; L229-L242 HydrophobicContact CD2-CG 3.53Å; L229-L242 WeakPolarHBondContact CD2-O 3.48Å; L232-L242 HydrophobicContact CB-CD2 3.82Å; Y233-L242 HydrophobicContact CD2-CB 3.99Å; V236-L242 HydrophobicContact CG1-CB 4.22Å; V236-L242 HydrophobicContact CG1-CD1 3.97Å; V236-L242 HydrophobicContact CG1-CD2 4.5Å; V236-L242 HydrophobicContact CG1-CG 4.45Å; L242-A253 CarbonylContact O-C 3.47Å; L242-A253 VanDerWaalsContact O-CA 3.22Å; L242-A253 WeakPolarHBondContact O-CA 3.36Å; L242-L254 PolarHBondContact N-O 3.39Å; L242-L254 PolarHBondContact O-N 3.3Å
243	I	98.9	Very high	97.9	Very high	2 Å²	2	47.2 Å²	47.2	1%	0.01	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	134.5	-176.6	-58.1	-176.8	0	0	0	109.3	V209 V210 F211 V212 V241 D252 A253 F281 V285 L299	V209-I243 HydrophobicContact CG1-CD1 3.65Å; V209-I243 HydrophobicContact CG1-CG1 4.23Å; V210-I243 PolarHBondContact O-N 3.24Å; F211-I243 WeakPolarHBondContact CA-O 3.27Å; F211-I243 HydrophobicContact CD1-CB 4.01Å; F211-I243 HydrophobicContact CD1-CD1 4.49Å; F211-I243 HydrophobicContact CD1-CG2 4.02Å; F211-I243 HydrophobicContact CE1-CB 4.32Å; F211-I243 HydrophobicContact CE1-CD1 3.96Å; F211-I243 HydrophobicContact CE1-CG2 4.21Å; F211-I243 HydrophobicContact CZ-CD1 4.42Å; V212-I243 PolarHBondContact N-O 2.82Å; V241-I243 HydrophobicContact CG1-CD1 4.28Å; V241-I243 HydrophobicContact CG1-CG1 3.88Å; I243-D252 WeakPolarHBondContact CA-O 3.14Å; I243-A253 HydrophobicContact CG1-CB 3.9Å; I243-F281 HydrophobicContact CG2-CE1 3.77Å; I243-F281 HydrophobicContact CG2-CZ 3.78Å; I243-V285 HydrophobicContact CD1-CG1 3.72Å; I243-L299 HydrophobicContact CG2-CD2 3.81Å
244	C	98.8	Very high	97.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	109.8	176.3	-165.5	0	0	0	0	110.5	V212 P225 L229 W246 D252	V212-C244 HydrophobicContact CG1-CB 3.86Å; V212-C244 PolarHBondContact O-SG 2.85Å; P225-C244 HydrophobicContact CB-CB 4.35Å; L229-C244 HydrophobicContact CD2-CB 3.96Å; L229-C244 HydrophobicContact CG-CB 4.23Å; C244-W246 VanDerWaalsContact SG-CE3 3.55Å; C244-W246 VanDerWaalsContact SG-CZ3 3.54Å; C244-D252 PolarHBondContact N-O 2.94Å; C244-D252 PolarHBondContact O-N 2.73Å
245	A	98.5	Very high	97.9	Very high	34 Å²	34	40.6 Å²	40.6	28%	0.281	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	136.7	171.7	0	0	0	0	0	110.5	A251 F281	A245-A251 HydrophobicContact CB-CB 4.02Å; A245-F281 HydrophobicContact CB-CD1 3.95Å; A245-F281 HydrophobicContact CB-CE1 3.9Å; A245-F281 HydrophobicContact CB-CG 4.35Å; A245-F281 HydrophobicContact CB-CZ 4.26Å
246	W	98	Very high	97.9	Very high	3 Å²	3	39.1 Å²	39.1	1%	0.011	22%	0.22	C	C	.	.			trans	-122.8	36.1	-174.2	-143.5	-91.2	0	0	0	113.3	K214 A217 R218 P225 A228 C244 E248 K249 G250	K214-W246 HydrophobicContact CB-CD2 4.24Å; K214-W246 HydrophobicContact CB-CE3 4.08Å; K214-W246 HydrophobicContact CB-CZ3 4.32Å; K214-W246 HydrophobicContact CD-CD2 4.07Å; K214-W246 HydrophobicContact CD-CG 4.1Å; K214-W246 HydrophobicContact CG-CD2 3.85Å; K214-W246 HydrophobicContact CG-CE3 4.11Å; K214-W246 HydrophobicContact CG-CG 4.41Å; K214-W246 HydrophobicContact CG-CH2 4.22Å; K214-W246 HydrophobicContact CG-CZ2 3.95Å; K214-W246 HydrophobicContact CG-CZ3 4.29Å; A217-W246 HydrophobicContact CB-CH2 3.61Å; A217-W246 HydrophobicContact CB-CZ3 3.48Å; A217-W246 VanDerWaalsContact CB-CZ3 3.48Å; R218-W246 HydrophobicContact CG-CH2 4.47Å; R218-W246 HydrophobicContact CG-CZ2 4.39Å; P225-W246 HydrophobicContact CB-CB 4.29Å; P225-W246 HydrophobicContact CB-CD2 4.18Å; P225-W246 HydrophobicContact CB-CE3 3.72Å; P225-W246 HydrophobicContact CB-CG 4.45Å; P225-W246 HydrophobicContact CB-CZ3 4.35Å; P225-W246 HydrophobicContact CG-CB 4.08Å; P225-W246 HydrophobicContact CG-CD2 4.26Å; P225-W246 HydrophobicContact CG-CE3 4.3Å; P225-W246 HydrophobicContact CG-CG 4.19Å; A228-W246 HydrophobicContact CB-CZ3 4.31Å; C244-W246 VanDerWaalsContact SG-CE3 3.55Å; C244-W246 VanDerWaalsContact SG-CZ3 3.54Å; W246-E248 PolarHBondContact O-N 2.86Å; W246-K249 HydrophobicContact CB-CB 4.24Å; W246-K249 PolarHBondContact O-N 3.14Å; W246-G250 PolarHBondContact N-O 3.47Å
247	A	94.9	Very high	97.8	Very high	63 Å²	63	44 Å²	44	52%	0.521	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	57	-120.5	178.8	0	0	0	0	0	112.3	K249 G250	A247-K249 PolarHBondContact O-N 2.97Å; A247-K249 VanDerWaalsContact O-N 3.1Å; A247-G250 PolarHBondContact O-N 2.63Å
248	E	93.8	Very high	97.7	Very high	134 Å²	134	44.4 Å²	44.4	63%	0.626	26%	0.263	S	S	*	.	G	3₁₀ helix	trans	-62.8	-16.4	-177.7	70.9	-73.2	170.7	0	0	114	K214 W246 G250 A265	K214-E248 IonicContact NZ-OE1 3.79Å; W246-E248 PolarHBondContact O-N 2.86Å; E248-G250 VanDerWaalsContact C-N 3.29Å; E248-A265 WeakPolarHBondContact O-CB 3.38Å
249	K	96.9	Very high	97.7	Very high	120 Å²	120	39 Å²	39	52%	0.522	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-87.4	5.1	175.4	-56.8	-167.8	-176.1	-177.1	0	113.5	W246 A247 H262	W246-K249 HydrophobicContact CB-CB 4.24Å; W246-K249 PolarHBondContact O-N 3.14Å; A247-K249 PolarHBondContact O-N 2.97Å; A247-K249 VanDerWaalsContact O-N 3.1Å; K249-H262 PolarHBondContact O-CE1 2.91Å; K249-H262 VanDerWaalsContact O-CE1 3.3Å
250	G	98.3	Very high	97.7	Very high	4 Å²	4	39.3 Å²	39.3	4%	0.041	23%	0.234	C	C	.	.			trans	83.5	-143.7	-179.9	0	0	0	0	0	112.6	W246 A247 E248 S263 A265	W246-G250 PolarHBondContact N-O 3.47Å; A247-G250 PolarHBondContact O-N 2.63Å; E248-G250 VanDerWaalsContact C-N 3.29Å; G250-S263 CarbonylContact C-O 3.55Å; G250-S263 WeakPolarHBondContact CA-O 3.2Å; G250-A265 VanDerWaalsContact CA-N 3.31Å
251	A	98.8	Very high	97.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	150.2	-177.6	0	0	0	0	0	112.1	A245 H262 S263 F281 L299	A245-A251 HydrophobicContact CB-CB 4.02Å; A251-H262 WeakPolarHBondContact O-CA 3.21Å; A251-S263 PolarHBondContact N-O 2.79Å; A251-S263 PolarHBondContact O-N 2.88Å; A251-F281 HydrophobicContact CB-CD2 4.42Å; A251-F281 HydrophobicContact CB-CE1 4.42Å; A251-F281 HydrophobicContact CB-CE2 3.45Å; A251-F281 VanDerWaalsContact CB-CE2 3.45Å; A251-F281 HydrophobicContact CB-CZ 3.44Å; A251-F281 VanDerWaalsContact CB-CZ 3.44Å; A251-L299 HydrophobicContact CB-CD2 4Å
252	D	98.8	Very high	97.7	Very high	10 Å²	10	43.6 Å²	43.6	5%	0.053	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	155.4	179.6	-63	-136.4	0	0	0	110.3	P225 L229 I243 C244 L260 L261 H262	P225-D252 HydrophobicContact CB-CB 3.98Å; P225-D252 HydrophobicContact CG-CB 4.45Å; P225-D252 VanDerWaalsContact CG-OD2 3.3Å; P225-D252 WeakPolarHBondContact CG-OD2 3.46Å; L229-D252 HydrophobicContact CD1-CB 3.37Å; I243-D252 WeakPolarHBondContact CA-O 3.14Å; C244-D252 PolarHBondContact N-O 2.94Å; C244-D252 PolarHBondContact O-N 2.73Å; D252-L260 HydrophobicContact CB-CD1 4.44Å; D252-L261 CarbonylContact C-O 3.59Å; D252-L261 WeakPolarHBondContact CA-O 3.28Å; D252-L261 WeakPolarHBondContact CB-O 3.4Å; D252-H262 IonicContact OD1-ND1 3.88Å; D252-H262 IonicContact OD2-CE1 3.81Å; D252-H262 IonicContact OD2-CG 2.82Å; D252-H262 IonicContact OD2-ND1 3.78Å; D252-H262 PolarHBondContact OD2-ND1 2.77Å
253	A	98.9	Very high	97.7	Very high	0 Å²	0	44 Å²	44	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	150.6	170.1	0	0	0	0	0	111.8	V241 L242 I243 L261 V295 L299	V241-A253 HydrophobicContact CG1-CB 4.06Å; L242-A253 CarbonylContact O-C 3.47Å; L242-A253 VanDerWaalsContact O-CA 3.22Å; L242-A253 WeakPolarHBondContact O-CA 3.36Å; I243-A253 HydrophobicContact CG1-CB 3.9Å; A253-L261 HydrophobicContact CB-CB 4.39Å; A253-L261 PolarHBondContact N-O 3.13Å; A253-L261 PolarHBondContact O-N 3.47Å; A253-V295 HydrophobicContact CB-CG1 3.68Å; A253-L299 HydrophobicContact CB-CD1 3.71Å; A253-L299 HydrophobicContact CB-CD2 4.18Å; A253-L299 HydrophobicContact CB-CG 4.16Å
254	L	98.8	Very high	97.7	Very high	13 Å²	13	49.3 Å²	49.3	7%	0.068	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	124.4	171.7	-175.4	60.6	0	0	0	109	L229 Y233 L242	L229-L254 HydrophobicContact CB-CB 4.02Å; L229-L254 HydrophobicContact CB-CD2 4.31Å; L229-L254 HydrophobicContact CD1-CB 4.26Å; Y233-L254 HydrophobicContact CD1-CD2 4.38Å; Y233-L254 HydrophobicContact CD2-CB 4.13Å; Y233-L254 HydrophobicContact CD2-CD2 3.94Å; Y233-L254 HydrophobicContact CD2-CG 3.87Å; Y233-L254 HydrophobicContact CE2-CG 4.2Å; Y233-L254 VanDerWaalsContact CE2-O 3.23Å; Y233-L254 WeakPolarHBondContact CE2-O 3.31Å; Y233-L254 HydrophobicContact CG-CD2 3.79Å; Y233-L254 HydrophobicContact CG-CG 4.18Å; L242-L254 PolarHBondContact N-O 3.39Å; L242-L254 PolarHBondContact O-N 3.3Å
255	G	98.2	Very high	97.7	Very high	9 Å²	9	50.6 Å²	50.6	9%	0.093	30%	0.295	C	S	.	.			trans	-112.1	-175.3	180	0	0	0	0	0	113.4	Y233 D257 G258	Y233-G255 PolarHBondContact OH-O 3.15Å; G255-D257 PolarHBondContact O-N 3.44Å; G255-G258 PolarHBondContact O-N 2.87Å
256	P	96.9	Very high	97.6	Very high	88 Å²	88	52.7 Å²	52.7	57%	0.571	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-15.4	-176	27.7	-35.6	0	0	0	115	Y233	Y233-P256 WeakPolarHBondContact OH-CA 3.22Å
257	D	96.4	Very high	97.4	Very high	118 Å²	118	57.5 Å²	57.5	63%	0.631	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-9.8	171.1	59.3	3.1	0	0	0	112.9	G255 L259	G255-D257 PolarHBondContact O-N 3.44Å; D257-L259 PolarHBondContact O-N 2.94Å; D257-L259 PolarHBondContact OD1-N 3.06Å
258	G	95.7	Very high	97.3	Very high	54 Å²	54	56.2 Å²	56.2	56%	0.557	32%	0.316	S	S	*	.			trans	73	8.6	-177.4	0	0	0	0	0	113.8	G255	G255-G258 PolarHBondContact O-N 2.87Å
259	L	96.9	Very high	97.2	Very high	101 Å²	101	59.6 Å²	59.6	53%	0.529	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-80.9	125.1	177.7	-176.4	63	0	0	0	109.6	D257 L261	D257-L259 PolarHBondContact O-N 2.94Å; D257-L259 PolarHBondContact OD1-N 3.06Å; L259-L261 HydrophobicContact CD2-CD2 3.77Å; L259-L261 HydrophobicContact CG-CD2 3.98Å; L259-L261 PolarHBondContact O-N 2.8Å
260	L	98.3	Very high	96.9	Very high	55 Å²	55	58.4 Å²	58.4	29%	0.288	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	119.5	171	-171.5	74	0	0	0	108.8	E226 L229 D252	E226-L260 HydrophobicContact CB-CD2 3.91Å; E226-L260 HydrophobicContact CG-CD2 3.63Å; L229-L260 HydrophobicContact CB-CD1 4.48Å; L229-L260 HydrophobicContact CD1-CD1 3.64Å; D252-L260 HydrophobicContact CB-CD1 4.44Å
261	L	98.8	Very high	96.4	Very high	32 Å²	32	62 Å²	62	17%	0.168	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	145.9	174.5	-60.2	179.9	0	0	0	109.3	D252 A253 L259 V295 Q296 L299	D252-L261 CarbonylContact C-O 3.59Å; D252-L261 WeakPolarHBondContact CA-O 3.28Å; D252-L261 WeakPolarHBondContact CB-O 3.4Å; A253-L261 HydrophobicContact CB-CB 4.39Å; A253-L261 PolarHBondContact N-O 3.13Å; A253-L261 PolarHBondContact O-N 3.47Å; L259-L261 HydrophobicContact CD2-CD2 3.77Å; L259-L261 HydrophobicContact CG-CD2 3.98Å; L259-L261 PolarHBondContact O-N 2.8Å; L261-V295 HydrophobicContact CD1-CB 3.8Å; L261-V295 HydrophobicContact CD1-CG1 3.71Å; L261-Q296 HydrophobicContact CD1-CB 4.33Å; L261-L299 HydrophobicContact CB-CD1 3.83Å
262	H	98.7	Very high	95.9	Very high	76 Å²	76	63.7 Å²	63.7	35%	0.352	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	146.1	-178.9	178.2	74.9	0	0	0	110.5	K249 A251 D252 D264 Q296	K249-H262 PolarHBondContact O-CE1 2.91Å; K249-H262 VanDerWaalsContact O-CE1 3.3Å; A251-H262 WeakPolarHBondContact O-CA 3.21Å; D252-H262 IonicContact OD1-ND1 3.88Å; D252-H262 IonicContact OD2-CE1 3.81Å; D252-H262 IonicContact OD2-CG 2.82Å; D252-H262 IonicContact OD2-ND1 3.78Å; D252-H262 PolarHBondContact OD2-ND1 2.77Å; H262-D264 PolarHBondContact NE2-N 3.13Å; H262-D264 IonicContact NE2-OD1 3.97Å; H262-D264 PolarHBondContact NE2-OD1 3.26Å; H262-Q296 PolarHBondContact O-NE2 2.91Å
263	S	98.8	Very high	95.3	Very high	7 Å²	7	63.3 Å²	63.3	5%	0.049	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	130.3	163.1	-179.7	0	0	0	0	109.3	G250 A251 T300	G250-S263 CarbonylContact C-O 3.55Å; G250-S263 WeakPolarHBondContact CA-O 3.2Å; A251-S263 PolarHBondContact N-O 2.79Å; A251-S263 PolarHBondContact O-N 2.88Å; S263-T300 WeakPolarHBondContact OG-CA 3.31Å; S263-T300 PolarHBondContact OG-OG1 3.05Å
264	D	98.7	Very high	94.8	Very high	115 Å²	115	64.8 Å²	64.8	62%	0.615	37%	0.37	S	S	*	.			trans	-56.9	156	167.6	-71	-45.6	0	0	0	111	H262 F266 C303	H262-D264 PolarHBondContact NE2-N 3.13Å; H262-D264 IonicContact NE2-OD1 3.97Å; H262-D264 PolarHBondContact NE2-OD1 3.26Å; D264-F266 WeakPolarHBondContact O-CD2 3.38Å; D264-F266 WeakPolarHBondContact O-CE2 3.46Å; D264-C303 WeakPolarHBondContact O-CB 3.47Å
265	A	97.8	Very high	94.4	Very high	27 Å²	27	64.7 Å²	64.7	22%	0.223	37%	0.369	C	S	.	.			trans	-70.7	155	166.9	0	0	0	0	0	110.6	E248 G250 P267	E248-A265 WeakPolarHBondContact O-CB 3.38Å; G250-A265 VanDerWaalsContact CA-N 3.31Å; A265-P267 VanDerWaalsContact C-CD 3.43Å; A265-P267 WeakPolarHBondContact O-CD 3.34Å
266	F	97.6	Very high	94.2	Very high	78 Å²	78	64.6 Å²	64.6	34%	0.342	37%	0.368	S	S	.	.			trans	-113.9	71.9	174.9	-65.5	-98.4	0	0	0	109.4	D264 T300 C303 R304 G307	D264-F266 WeakPolarHBondContact O-CD2 3.38Å; D264-F266 WeakPolarHBondContact O-CE2 3.46Å; F266-T300 HydrophobicContact CE2-CG2 4.18Å; F266-T300 HydrophobicContact CZ-CG2 3.98Å; F266-C303 HydrophobicContact CD2-CB 3.8Å; F266-C303 HydrophobicContact CE2-CB 4Å; F266-R304 HydrophobicContact CD2-CB 4Å; F266-R304 HydrophobicContact CE2-CB 4.32Å; F266-R304 HydrophobicContact CG-CB 4.2Å; F266-R304 HydrophobicContact CG-CG 4.4Å; F266-G307 CarbonylContact O-C 3.55Å; F266-G307 WeakPolarHBondContact O-CA 3.24Å
267	P	94.1	Very high	94.1	Very high	104 Å²	104	61.3 Å²	61.3	68%	0.675	35%	0.348	S	S	*	.			trans	-61.6	142.7	-174.8	27.3	-34.9	0	0	0	111	A265	A265-P267 VanDerWaalsContact C-CD 3.43Å; A265-P267 WeakPolarHBondContact O-CD 3.34Å
268	P	93.2	Very high	94.1	Very high	36 Å²	36	57.7 Å²	57.7	23%	0.234	34%	0.339	C	S	.	.			trans	-70.6	161.3	173.6	33.6	-35.5	0	0	0	110.2	T270 L271 G307 C310	P268-T270 WeakPolarHBondContact CG-O 3.31Å; P268-T270 PolarHBondContact O-N 2.92Å; P268-L271 HydrophobicContact CG-CD1 4.46Å; P268-G307 WeakPolarHBondContact CD-O 3.44Å; P268-C310 HydrophobicContact CG-CB 4.02Å
269	E	91.6	Very high	94.3	Very high	204 Å²	204	55.6 Å²	55.6	95%	0.953	32%	0.315	S	S	*	.	S	Bend	trans	-58.6	-34.4	173.6	-67	-176.6	173.7	0	0	112.2
270	T	89.5	Confident	94.3	Very high	96 Å²	96	50.8 Å²	50.8	59%	0.589	29%	0.29	S	S	*	.	S	Bend	trans	-131.4	124.8	175.6	-58.1	0	0	0	0	109.2	P268 V272	P268-T270 WeakPolarHBondContact CG-O 3.31Å; P268-T270 PolarHBondContact O-N 2.92Å; T270-V272 HydrophobicContact CG2-CG2 4.11Å
271	L	88.6	Confident	94.4	Very high	79 Å²	79	48.5 Å²	48.5	41%	0.414	28%	0.278	S	S	.	.			trans	-78.2	120.5	174.5	-173	64.8	0	0	0	109.5	P268 T274 C310	P268-L271 HydrophobicContact CG-CD1 4.46Å; L271-T274 HydrophobicContact CD1-CG2 3.79Å; L271-T274 HydrophobicContact CD2-CG2 4.27Å; L271-T274 HydrophobicContact CG-CG2 4.31Å; L271-C310 HydrophobicContact CD1-CB 3.72Å
272	V	86.9	Confident	94.4	Very high	35 Å²	35	47.4 Å²	47.4	21%	0.212	27%	0.272	C	S	.	.			trans	-118.3	-45.1	-174.2	176.9	0	0	0	0	111.8	T270 C310 G311 H313	T270-V272 HydrophobicContact CG2-CG2 4.11Å; V272-C310 PolarHBondContact N-O 3.34Å; V272-G311 WeakPolarHBondContact CG2-O 3.46Å; V272-H313 WeakPolarHBondContact CG1-CE1 3.28Å
273	D	86.9	Confident	94.4	Very high	2 Å²	2	43.8 Å²	43.8	1%	0.011	26%	0.255	C	S	.	.			trans	-155.4	112.9	-173.5	-179.8	-5	0	0	0	111.9	R57 L275 K309 C310 F312 H313 G314	R57-D273 IonicContact NH2-OD2 2.79Å; R57-D273 PolarHBondContact NH2-OD2 2.93Å; D273-L275 WeakPolarHBondContact OD1-CB 3.36Å; D273-L275 PolarHBondContact OD1-N 2.88Å; D273-K309 VanDerWaalsContact CG-NZ 3.28Å; D273-K309 PolarHBondContact O-NZ 3.38Å; D273-K309 IonicContact OD1-NZ 3.76Å; D273-K309 PolarHBondContact OD1-NZ 3.35Å; D273-K309 VanDerWaalsContact OD1-NZ 3.16Å; D273-K309 IonicContact OD2-NZ 3.91Å; D273-C310 PolarHBondContact N-O 2.88Å; D273-C310 VanDerWaalsContact N-O 3.11Å; D273-C310 VanDerWaalsContact O-CA 3.31Å; D273-C310 WeakPolarHBondContact O-CA 3.31Å; D273-F312 WeakPolarHBondContact CB-O 3.44Å; D273-H313 IonicContact OD2-ND1 2.9Å; D273-G314 PolarHBondContact OD2-N 2.84Å
274	T	89	Confident	94.4	Very high	31 Å²	31	43.4 Å²	43.4	19%	0.19	25%	0.253	C	S	.	.			trans	-91.9	-3.2	178.6	61.3	0	0	0	0	114.5	R129 L271 G276 A277	R129-T274 PolarHBondContact NH1-O 3.39Å; R129-T274 PolarHBondContact NH1-OG1 2.92Å; L271-T274 HydrophobicContact CD1-CG2 3.79Å; L271-T274 HydrophobicContact CD2-CG2 4.27Å; L271-T274 HydrophobicContact CG-CG2 4.31Å; T274-G276 PolarHBondContact O-N 2.89Å; T274-A277 WeakPolarHBondContact O-CB 3.13Å; T274-A277 PolarHBondContact O-N 3.47Å; T274-A277 VanDerWaalsContact O-N 3.15Å
275	L	90	Very high	94.4	Very high	12 Å²	12	38 Å²	38	6%	0.063	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	121.3	-175.6	-178.2	69.1	0	0	0	110.9	I38 V131 D273 A277 K309	I38-L275 HydrophobicContact CD1-CD2 3.44Å; I38-L275 VanDerWaalsContact CD1-CD2 3.44Å; I38-L275 HydrophobicContact CG1-CD2 4.06Å; V131-L275 HydrophobicContact CG2-CD1 4.4Å; D273-L275 WeakPolarHBondContact OD1-CB 3.36Å; D273-L275 PolarHBondContact OD1-N 2.88Å; L275-A277 VanDerWaalsContact C-N 3.32Å; L275-A277 PolarHBondContact O-N 2.88Å; L275-K309 WeakPolarHBondContact O-CE 3.42Å; L275-K309 PolarHBondContact O-NZ 2.97Å
276	G	93.1	Very high	94.4	Very high	6 Å²	6	36.7 Å²	36.7	6%	0.062	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	15.5	-177.8	0	0	0	0	0	115.2	T274 G278 D279 T280	T274-G276 PolarHBondContact O-N 2.89Å; G276-G278 VanDerWaalsContact C-N 3.31Å; G276-D279 WeakPolarHBondContact CA-OD2 3.35Å; G276-D279 PolarHBondContact O-N 3.2Å; G276-T280 WeakPolarHBondContact O-CB 3.48Å; G276-T280 PolarHBondContact O-N 3.22Å; G276-T280 PolarHBondContact O-OG1 3.24Å
277	A	95.4	Very high	94.5	Very high	19 Å²	19	34.7 Å²	34.7	16%	0.157	21%	0.205	C	C	.	.	H	α-helix	trans	-63.3	-36.9	172	0	0	0	0	0	112.3	T274 L275 T280 F281 A306 K309	T274-A277 WeakPolarHBondContact O-CB 3.13Å; T274-A277 PolarHBondContact O-N 3.47Å; T274-A277 VanDerWaalsContact O-N 3.15Å; L275-A277 VanDerWaalsContact C-N 3.32Å; L275-A277 PolarHBondContact O-N 2.88Å; A277-T280 WeakPolarHBondContact O-CB 3.26Å; A277-T280 PolarHBondContact O-N 3.08Å; A277-F281 PolarHBondContact O-N 3.5Å; A277-A306 WeakPolarHBondContact O-CB 3.49Å; A277-K309 HydrophobicContact CB-CD 4.46Å
278	G	97.3	Very high	94.7	Very high	42 Å²	42	30.7 Å²	30.7	43%	0.433	18%	0.178	S	C	.	.	H	α-helix	trans	-63.9	-47.9	173.4	0	0	0	0	0	112.2	G276 T280 F281 N282	G276-G278 VanDerWaalsContact C-N 3.31Å; G278-T280 PolarHBondContact O-N 3.5Å; G278-F281 WeakPolarHBondContact O-CA 3.19Å; G278-F281 WeakPolarHBondContact O-CB 3.33Å; G278-F281 PolarHBondContact O-N 2.93Å; G278-N282 PolarHBondContact O-N 3.3Å
279	D	98.5	Very high	94.9	Very high	11 Å²	11	30.2 Å²	30.2	6%	0.059	17%	0.173	C	C	.	.	H	α-helix	trans	-59.5	-38.2	175.5	-47.9	-33.9	0	0	0	111.6	N63 N66 S67 G276 N282 A283	N63-D279 WeakPolarHBondContact CA-OD1 3.4Å; N63-D279 VanDerWaalsContact CB-OD1 3.29Å; N63-D279 WeakPolarHBondContact CB-OD1 3.4Å; N63-D279 VanDerWaalsContact CG-OD1 3.29Å; N66-D279 HydrophobicContact CB-CB 3.56Å; N66-D279 VanDerWaalsContact CB-OD2 3.27Å; N66-D279 WeakPolarHBondContact CB-OD2 3.4Å; N66-D279 PolarHBondContact ND2-OD2 3.14Å; S67-D279 PolarHBondContact OG-O 3.16Å; G276-D279 WeakPolarHBondContact CA-OD2 3.35Å; G276-D279 PolarHBondContact O-N 3.2Å; D279-N282 PolarHBondContact O-N 3.42Å; D279-A283 VanDerWaalsContact O-CB 3.29Å; D279-A283 WeakPolarHBondContact O-CB 3.5Å; D279-A283 PolarHBondContact O-N 2.86Å
280	T	98.6	Very high	95.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-64.5	-43.1	174.9	-55.3	0	0	0	0	111.6	V70 G276 A277 G278 G284 I305 A306 K309 I318	V70-T280 HydrophobicContact CG1-CG2 4.06Å; V70-T280 HydrophobicContact CG2-CG2 4.07Å; G276-T280 WeakPolarHBondContact O-CB 3.48Å; G276-T280 PolarHBondContact O-N 3.22Å; G276-T280 PolarHBondContact O-OG1 3.24Å; A277-T280 WeakPolarHBondContact O-CB 3.26Å; A277-T280 PolarHBondContact O-N 3.08Å; G278-T280 PolarHBondContact O-N 3.5Å; T280-G284 PolarHBondContact O-N 3.35Å; T280-I305 HydrophobicContact CG2-CB 4.3Å; T280-I305 HydrophobicContact CG2-CD1 3.99Å; T280-I305 HydrophobicContact CG2-CG1 3.93Å; T280-I305 WeakPolarHBondContact O-CD1 3.39Å; T280-A306 HydrophobicContact CG2-CB 4.46Å; T280-K309 HydrophobicContact CG2-CB 4Å; T280-K309 HydrophobicContact CG2-CG 4.38Å; T280-I318 HydrophobicContact CG2-CD1 3.85Å
281	F	98.8	Very high	95.5	Very high	7 Å²	7	21.3 Å²	21.3	3%	0.031	13%	0.13	C	C	.	.	H	α-helix	trans	-60	-51.9	173.8	169.8	-92.4	0	0	0	111.1	F211 I243 A245 A251 A277 G278 A283 G284 V285 L299 G302 A306	F211-F281 HydrophobicContact CD1-CE1 4.16Å; F211-F281 HydrophobicContact CE1-CE1 4.1Å; I243-F281 HydrophobicContact CG2-CE1 3.77Å; I243-F281 HydrophobicContact CG2-CZ 3.78Å; A245-F281 HydrophobicContact CB-CD1 3.95Å; A245-F281 HydrophobicContact CB-CE1 3.9Å; A245-F281 HydrophobicContact CB-CG 4.35Å; A245-F281 HydrophobicContact CB-CZ 4.26Å; A251-F281 HydrophobicContact CB-CD2 4.42Å; A251-F281 HydrophobicContact CB-CE1 4.42Å; A251-F281 HydrophobicContact CB-CE2 3.45Å; A251-F281 VanDerWaalsContact CB-CE2 3.45Å; A251-F281 HydrophobicContact CB-CZ 3.44Å; A251-F281 VanDerWaalsContact CB-CZ 3.44Å; A277-F281 PolarHBondContact O-N 3.5Å; G278-F281 WeakPolarHBondContact O-CA 3.19Å; G278-F281 WeakPolarHBondContact O-CB 3.33Å; G278-F281 PolarHBondContact O-N 2.93Å; F281-A283 VanDerWaalsContact C-N 3.34Å; F281-A283 PolarHBondContact O-N 3.16Å; F281-G284 PolarHBondContact O-N 3.27Å; F281-G284 VanDerWaalsContact O-N 3.12Å; F281-V285 HydrophobicContact CD1-CG2 4.41Å; F281-V285 HydrophobicContact CE1-CG2 3.93Å; F281-V285 HydrophobicContact CE2-CG2 4.04Å; F281-V285 HydrophobicContact CZ-CG2 3.72Å; F281-V285 WeakPolarHBondContact O-CG2 3.46Å; F281-V285 PolarHBondContact O-N 2.93Å; F281-L299 HydrophobicContact CE2-CD2 4.37Å; F281-L299 HydrophobicContact CZ-CD2 3.87Å; F281-G302 VanDerWaalsContact CD2-C 3.42Å; F281-A306 HydrophobicContact CB-CB 3.94Å
282	N	98.9	Very high	95.8	Very high	8 Å²	8	20.9 Å²	20.9	4%	0.043	15%	0.145	C	C	.	.	H	α-helix	trans	-55.8	-49.7	179.1	-68.5	-5.5	0	0	0	110.3	E192 F211 G278 D279 G284 V285 L286	E192-N282 VanDerWaalsContact CD-ND2 3.32Å; E192-N282 PolarHBondContact OE1-ND2 2.95Å; F211-N282 VanDerWaalsContact CD1-OD1 3.27Å; F211-N282 WeakPolarHBondContact CD1-OD1 3.33Å; F211-N282 HydrophobicContact CE1-CB 4.43Å; F211-N282 HydrophobicContact CZ-CB 4.47Å; G278-N282 PolarHBondContact O-N 3.3Å; D279-N282 PolarHBondContact O-N 3.42Å; N282-G284 VanDerWaalsContact C-N 3.33Å; N282-G284 PolarHBondContact O-N 2.77Å; N282-V285 PolarHBondContact O-N 2.9Å; N282-L286 WeakPolarHBondContact O-CB 3.38Å; N282-L286 WeakPolarHBondContact O-CG 3.21Å; N282-L286 PolarHBondContact O-N 2.89Å
283	A	98.8	Very high	96.3	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-59.7	-38.4	177.8	0	0	0	0	0	113.5	V70 L71 D279 F281 L286 H287	V70-A283 HydrophobicContact CB-CB 3.62Å; V70-A283 HydrophobicContact CG1-CB 3.61Å; L71-A283 HydrophobicContact CD2-CB 4.34Å; L71-A283 WeakPolarHBondContact CD2-O 3.47Å; L71-A283 HydrophobicContact CG-CB 4.13Å; D279-A283 VanDerWaalsContact O-CB 3.29Å; D279-A283 WeakPolarHBondContact O-CB 3.5Å; D279-A283 PolarHBondContact O-N 2.86Å; F281-A283 VanDerWaalsContact C-N 3.34Å; F281-A283 PolarHBondContact O-N 3.16Å; A283-L286 PolarHBondContact O-N 2.72Å; A283-H287 VanDerWaalsContact O-CB 3.23Å; A283-H287 WeakPolarHBondContact O-CB 3.39Å; A283-H287 PolarHBondContact O-N 2.85Å
284	G	98.6	Very high	96.9	Very high	0 Å²	0	23 Å²	23	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-64.8	-42.3	175.3	0	0	0	0	0	113	T280 F281 N282 T288 F301	T280-G284 PolarHBondContact O-N 3.35Å; F281-G284 PolarHBondContact O-N 3.27Å; F281-G284 VanDerWaalsContact O-N 3.12Å; N282-G284 VanDerWaalsContact C-N 3.33Å; N282-G284 PolarHBondContact O-N 2.77Å; G284-T288 WeakPolarHBondContact O-CB 3.46Å; G284-T288 PolarHBondContact O-N 2.88Å; G284-T288 PolarHBondContact O-OG1 2.9Å; G284-F301 WeakPolarHBondContact O-CD1 3.41Å
285	V	98.9	Very high	97.3	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-62.6	-49.6	174.6	173.4	0	0	0	0	110.1	F211 I243 F281 N282 H287 T288 L289 A298	F211-V285 HydrophobicContact CE1-CB 3.9Å; F211-V285 HydrophobicContact CE1-CG1 3.79Å; F211-V285 HydrophobicContact CE1-CG2 4.15Å; F211-V285 HydrophobicContact CZ-CB 3.89Å; F211-V285 HydrophobicContact CZ-CG1 3.62Å; I243-V285 HydrophobicContact CD1-CG1 3.72Å; F281-V285 HydrophobicContact CD1-CG2 4.41Å; F281-V285 HydrophobicContact CE1-CG2 3.93Å; F281-V285 HydrophobicContact CE2-CG2 4.04Å; F281-V285 HydrophobicContact CZ-CG2 3.72Å; F281-V285 WeakPolarHBondContact O-CG2 3.46Å; F281-V285 PolarHBondContact O-N 2.93Å; N282-V285 PolarHBondContact O-N 2.9Å; V285-H287 PolarHBondContact O-N 2.98Å; V285-T288 PolarHBondContact O-N 3.02Å; V285-L289 HydrophobicContact CG1-CD1 3.67Å; V285-L289 HydrophobicContact CG1-CG 4.2Å; V285-L289 WeakPolarHBondContact O-CG 3.16Å; V285-L289 PolarHBondContact O-N 2.84Å; V285-A298 HydrophobicContact CB-CB 4.46Å; V285-A298 HydrophobicContact CG1-CB 4.05Å; V285-A298 WeakPolarHBondContact CG2-O 3.44Å
286	L	98.7	Very high	97.7	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-58.2	-45.6	178.1	-66.7	171.7	0	0	0	112.1	L71 W156 H158 S190 F211 N282 A283 T288 S290	L71-L286 HydrophobicContact CD2-CB 4.45Å; W156-L286 HydrophobicContact CZ2-CD2 4.18Å; H158-L286 HydrophobicContact CB-CD1 3.88Å; H158-L286 HydrophobicContact CB-CD2 4.39Å; S190-L286 WeakPolarHBondContact OG-CD2 3.3Å; F211-L286 HydrophobicContact CE2-CD2 4.17Å; F211-L286 HydrophobicContact CE2-CG 4.48Å; F211-L286 HydrophobicContact CZ-CD2 4.44Å; F211-L286 HydrophobicContact CZ-CG 4.46Å; N282-L286 WeakPolarHBondContact O-CB 3.38Å; N282-L286 WeakPolarHBondContact O-CG 3.21Å; N282-L286 PolarHBondContact O-N 2.89Å; A283-L286 PolarHBondContact O-N 2.72Å; L286-T288 VanDerWaalsContact C-N 3.32Å; L286-T288 PolarHBondContact O-N 2.95Å; L286-S290 WeakPolarHBondContact O-CB 3.45Å; L286-S290 PolarHBondContact O-N 3.5Å; L286-S290 PolarHBondContact O-OG 2.78Å
287	H	98.6	Very high	98	Very high	37 Å²	37	29.8 Å²	29.8	17%	0.171	20%	0.199	C	C	.	.	H	α-helix	trans	-56.8	-47	176.2	173.8	-95.2	0	0	0	111.5	L71 L74 A283 V285 S290 N291 F301	L71-H287 HydrophobicContact CD2-CB 4.01Å; L74-H287 HydrophobicContact CD1-CB 3.75Å; A283-H287 VanDerWaalsContact O-CB 3.23Å; A283-H287 WeakPolarHBondContact O-CB 3.39Å; A283-H287 PolarHBondContact O-N 2.85Å; V285-H287 PolarHBondContact O-N 2.98Å; H287-S290 PolarHBondContact O-OG 2.81Å; H287-N291 PolarHBondContact NE2-ND2 3.42Å; H287-N291 PolarHBondContact O-N 3.1Å; H287-N291 PolarHBondContact O-ND2 2.99Å; H287-F301 AromaticContact ND1-CE1 3.86Å
288	T	98.6	Very high	98.2	Very high	20 Å²	20	28.9 Å²	28.9	12%	0.123	19%	0.192	C	C	.	.	H	α-helix	trans	-70.6	-48.8	-176	-53.2	0	0	0	0	111.7	G284 V285 L286 N291 G292 G293 D297 A298 F301	G284-T288 WeakPolarHBondContact O-CB 3.46Å; G284-T288 PolarHBondContact O-N 2.88Å; G284-T288 PolarHBondContact O-OG1 2.9Å; V285-T288 PolarHBondContact O-N 3.02Å; L286-T288 VanDerWaalsContact C-N 3.32Å; L286-T288 PolarHBondContact O-N 2.95Å; T288-N291 PolarHBondContact O-N 2.92Å; T288-G292 PolarHBondContact O-N 3.25Å; T288-G293 PolarHBondContact O-N 3.46Å; T288-D297 HydrophobicContact CG2-CB 4.13Å; T288-A298 HydrophobicContact CG2-CB 3.87Å; T288-F301 VanDerWaalsContact OG1-CD1 3.27Å; T288-F301 WeakPolarHBondContact OG1-CD1 3.35Å
289	L	98.5	Very high	98.2	Very high	25 Å²	25	26.9 Å²	26.9	13%	0.131	17%	0.171	C	C	.	.	H	α-helix	trans	-66.3	-40.9	-179.3	-65.6	179.9	0	0	0	112.2	W156 V209 V285 N291 G292 V295 A298	W156-L289 HydrophobicContact CH2-CB 3.61Å; W156-L289 HydrophobicContact CH2-CD1 4.19Å; W156-L289 HydrophobicContact CZ2-CB 4.44Å; W156-L289 HydrophobicContact CZ3-CB 3.9Å; V209-L289 HydrophobicContact CG1-CD1 4.46Å; V209-L289 HydrophobicContact CG2-CD1 3.73Å; V285-L289 HydrophobicContact CG1-CD1 3.67Å; V285-L289 HydrophobicContact CG1-CG 4.2Å; V285-L289 WeakPolarHBondContact O-CG 3.16Å; V285-L289 PolarHBondContact O-N 2.84Å; L289-N291 PolarHBondContact O-N 3.27Å; L289-N291 VanDerWaalsContact O-N 3.11Å; L289-G292 PolarHBondContact O-N 3.03Å; L289-V295 HydrophobicContact CD2-CG2 4.33Å; L289-A298 HydrophobicContact CD1-CB 4.45Å; L289-A298 HydrophobicContact CD2-CB 3.71Å; L289-A298 HydrophobicContact CG-CB 3.71Å
290	S	96.8	Very high	98.2	Very high	17 Å²	17	28 Å²	28	12%	0.119	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-7	178.3	72.3	0	0	0	0	114.2	I27 K155 L286 H287	I27-S290 WeakPolarHBondContact CD1-OG 3.14Å; K155-S290 PolarHBondContact NZ-O 3.28Å; L286-S290 WeakPolarHBondContact O-CB 3.45Å; L286-S290 PolarHBondContact O-N 3.5Å; L286-S290 PolarHBondContact O-OG 2.78Å; H287-S290 PolarHBondContact O-OG 2.81Å
291	N	95.9	Very high	98.2	Very high	96 Å²	96	30.6 Å²	30.6	51%	0.513	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.8	10.5	173	-69.8	-27.7	0	0	0	112.3	K155 H287 T288 L289	K155-N291 PolarHBondContact NZ-OD1 2.83Å; H287-N291 PolarHBondContact NE2-ND2 3.42Å; H287-N291 PolarHBondContact O-N 3.1Å; H287-N291 PolarHBondContact O-ND2 2.99Å; T288-N291 PolarHBondContact O-N 2.92Å; L289-N291 PolarHBondContact O-N 3.27Å; L289-N291 VanDerWaalsContact O-N 3.11Å
292	G	95.6	Very high	98.2	Very high	70 Å²	70	30.3 Å²	30.3	72%	0.722	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.7	12.8	175.5	0	0	0	0	0	115.1	T288 L289	T288-G292 PolarHBondContact O-N 3.25Å; L289-G292 PolarHBondContact O-N 3.03Å
293	G	97.6	Very high	98.2	Very high	29 Å²	29	30.2 Å²	30.2	30%	0.299	19%	0.188	S	C	.	.			trans	-68.1	159.9	172.9	0	0	0	0	0	112.6	T288	T288-G293 PolarHBondContact O-N 3.46Å
294	S	98.4	Very high	98.2	Very high	53 Å²	53	36.5 Å²	36.5	37%	0.371	21%	0.212	S	C	.	.			trans	-73.5	162.6	176.8	75.9	0	0	0	0	111.9	Q296 D297 A298	S294-Q296 VanDerWaalsContact C-N 3.28Å; S294-Q296 PolarHBondContact O-N 3.12Å; S294-D297 WeakPolarHBondContact CB-OD2 3.44Å; S294-D297 PolarHBondContact N-OD2 3.42Å; S294-D297 PolarHBondContact O-N 3.35Å; S294-D297 PolarHBondContact OG-N 3.43Å; S294-D297 VanDerWaalsContact OG-N 3.1Å; S294-D297 PolarHBondContact OG-OD2 3.16Å; S294-A298 WeakPolarHBondContact O-CB 3.49Å; S294-A298 PolarHBondContact O-N 3.27Å
295	V	98.6	Very high	98.2	Very high	35 Å²	35	37.1 Å²	37.1	21%	0.212	22%	0.215	C	C	.	.	H	α-helix	trans	-60.7	-39.3	174.4	179.1	0	0	0	0	111.4	V241 A253 L261 L289 A298 L299	V241-V295 HydrophobicContact CG1-CG1 3.86Å; V241-V295 HydrophobicContact CG1-CG2 4.29Å; V241-V295 HydrophobicContact CG2-CG2 3.96Å; A253-V295 HydrophobicContact CB-CG1 3.68Å; L261-V295 HydrophobicContact CD1-CB 3.8Å; L261-V295 HydrophobicContact CD1-CG1 3.71Å; L289-V295 HydrophobicContact CD2-CG2 4.33Å; V295-A298 PolarHBondContact O-N 3.11Å; V295-L299 WeakPolarHBondContact O-CG 3.23Å; V295-L299 PolarHBondContact O-N 2.75Å
296	Q	98.7	Very high	98.1	Very high	62 Å²	62	37.7 Å²	37.7	29%	0.29	22%	0.22	S	C	.	.	H	α-helix	trans	-63.9	-45.4	177.1	-177.5	61.6	53.8	0	0	111.5	L261 H262 S294 A298 L299 T300	L261-Q296 HydrophobicContact CD1-CB 4.33Å; H262-Q296 PolarHBondContact O-NE2 2.91Å; S294-Q296 VanDerWaalsContact C-N 3.28Å; S294-Q296 PolarHBondContact O-N 3.12Å; Q296-A298 VanDerWaalsContact C-N 3.27Å; Q296-A298 PolarHBondContact O-N 2.87Å; Q296-L299 PolarHBondContact O-N 3.08Å; Q296-T300 PolarHBondContact NE2-OG1 3.23Å; Q296-T300 PolarHBondContact O-N 3.5Å; Q296-T300 PolarHBondContact O-OG1 2.94Å
297	D	98.6	Very high	98	Very high	94 Å²	94	38.1 Å²	38.1	50%	0.503	22%	0.224	S	C	.	.	H	α-helix	trans	-62.3	-39.8	176.7	-62.2	-42.8	0	0	0	111	T288 S294 T300 F301	T288-D297 HydrophobicContact CG2-CB 4.13Å; S294-D297 WeakPolarHBondContact CB-OD2 3.44Å; S294-D297 PolarHBondContact N-OD2 3.42Å; S294-D297 PolarHBondContact O-N 3.35Å; S294-D297 PolarHBondContact OG-N 3.43Å; S294-D297 VanDerWaalsContact OG-N 3.1Å; S294-D297 PolarHBondContact OG-OD2 3.16Å; D297-T300 PolarHBondContact O-N 3.39Å; D297-F301 WeakPolarHBondContact O-CB 3.37Å; D297-F301 PolarHBondContact O-N 2.91Å
298	A	98.8	Very high	97.9	Very high	1 Å²	1	41 Å²	41	1%	0.008	23%	0.234	C	C	.	.	H	α-helix	trans	-64.9	-44.2	178.9	0	0	0	0	0	112.1	V285 T288 L289 S294 V295 Q296 G302	V285-A298 HydrophobicContact CB-CB 4.46Å; V285-A298 HydrophobicContact CG1-CB 4.05Å; V285-A298 WeakPolarHBondContact CG2-O 3.44Å; T288-A298 HydrophobicContact CG2-CB 3.87Å; L289-A298 HydrophobicContact CD1-CB 4.45Å; L289-A298 HydrophobicContact CD2-CB 3.71Å; L289-A298 HydrophobicContact CG-CB 3.71Å; S294-A298 WeakPolarHBondContact O-CB 3.49Å; S294-A298 PolarHBondContact O-N 3.27Å; V295-A298 PolarHBondContact O-N 3.11Å; Q296-A298 VanDerWaalsContact C-N 3.27Å; Q296-A298 PolarHBondContact O-N 2.87Å; A298-G302 PolarHBondContact O-N 3.31Å
299	L	98.5	Very high	97.7	Very high	0 Å²	0	40 Å²	40	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-58.1	-52.7	173	-78.2	-178	0	0	0	111	I243 A251 A253 L261 F281 V295 Q296 F301 G302 C303	I243-L299 HydrophobicContact CG2-CD2 3.81Å; A251-L299 HydrophobicContact CB-CD2 4Å; A253-L299 HydrophobicContact CB-CD1 3.71Å; A253-L299 HydrophobicContact CB-CD2 4.18Å; A253-L299 HydrophobicContact CB-CG 4.16Å; L261-L299 HydrophobicContact CB-CD1 3.83Å; F281-L299 HydrophobicContact CE2-CD2 4.37Å; F281-L299 HydrophobicContact CZ-CD2 3.87Å; V295-L299 WeakPolarHBondContact O-CG 3.23Å; V295-L299 PolarHBondContact O-N 2.75Å; Q296-L299 PolarHBondContact O-N 3.08Å; L299-F301 VanDerWaalsContact C-N 3.35Å; L299-F301 PolarHBondContact O-N 3.02Å; L299-G302 PolarHBondContact O-N 3.1Å; L299-C303 WeakPolarHBondContact O-CB 3.4Å; L299-C303 PolarHBondContact O-N 3.29Å; L299-C303 PolarHBondContact O-SG 2.84Å
300	T	98.8	Very high	97.5	Very high	33 Å²	33	39.6 Å²	39.6	20%	0.202	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-41.4	-177.3	-64.1	0	0	0	0	112.1	S263 F266 Q296 D297 R304	S263-T300 WeakPolarHBondContact OG-CA 3.31Å; S263-T300 PolarHBondContact OG-OG1 3.05Å; F266-T300 HydrophobicContact CE2-CG2 4.18Å; F266-T300 HydrophobicContact CZ-CG2 3.98Å; Q296-T300 PolarHBondContact NE2-OG1 3.23Å; Q296-T300 PolarHBondContact O-N 3.5Å; Q296-T300 PolarHBondContact O-OG1 2.94Å; D297-T300 PolarHBondContact O-N 3.39Å; T300-R304 WeakPolarHBondContact O-CB 3.36Å; T300-R304 PolarHBondContact O-N 3.3Å
301	F	98.7	Very high	97.3	Very high	56 Å²	56	40 Å²	40	25%	0.246	23%	0.233	C	C	.	.	H	α-helix	trans	-66.1	-46.2	176.3	-174.6	-104.6	0	0	0	111.7	L74 G284 H287 T288 D297 L299 C303 R304 I305	L74-F301 HydrophobicContact CD1-CE1 3.89Å; L74-F301 HydrophobicContact CD1-CZ 4.34Å; L74-F301 HydrophobicContact CD2-CE1 4.19Å; L74-F301 HydrophobicContact CD2-CZ 3.78Å; G284-F301 WeakPolarHBondContact O-CD1 3.41Å; H287-F301 AromaticContact ND1-CE1 3.86Å; T288-F301 VanDerWaalsContact OG1-CD1 3.27Å; T288-F301 WeakPolarHBondContact OG1-CD1 3.35Å; D297-F301 WeakPolarHBondContact O-CB 3.37Å; D297-F301 PolarHBondContact O-N 2.91Å; L299-F301 VanDerWaalsContact C-N 3.35Å; L299-F301 PolarHBondContact O-N 3.02Å; F301-C303 PolarHBondContact O-N 3.36Å; F301-R304 WeakPolarHBondContact O-CB 3.19Å; F301-R304 PolarHBondContact O-N 2.93Å; F301-R304 VanDerWaalsContact O-N 3.16Å; F301-I305 HydrophobicContact CD1-CD1 4.45Å; F301-I305 HydrophobicContact CD2-CG2 4.39Å; F301-I305 HydrophobicContact CE1-CD1 4Å; F301-I305 HydrophobicContact CE1-CG2 4.03Å; F301-I305 HydrophobicContact CE2-CG2 3.88Å; F301-I305 HydrophobicContact CZ-CG2 3.69Å; F301-I305 WeakPolarHBondContact O-CG1 3.34Å; F301-I305 PolarHBondContact O-N 2.97Å
302	G	98.6	Very high	97.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-55.3	-50.1	175.4	0	0	0	0	0	112.3	F281 A298 L299 R304 I305 A306	F281-G302 VanDerWaalsContact CD2-C 3.42Å; A298-G302 PolarHBondContact O-N 3.31Å; L299-G302 PolarHBondContact O-N 3.1Å; G302-R304 VanDerWaalsContact C-N 3.3Å; G302-R304 PolarHBondContact O-N 2.88Å; G302-I305 WeakPolarHBondContact O-CG1 3.4Å; G302-I305 PolarHBondContact O-N 3.34Å; G302-A306 VanDerWaalsContact O-CB 3.26Å; G302-A306 WeakPolarHBondContact O-CB 3.43Å; G302-A306 PolarHBondContact O-N 3.35Å
303	C	98.7	Very high	96.8	Very high	7 Å²	7	38.5 Å²	38.5	5%	0.047	20%	0.204	C	C	.	.	H	α-helix	trans	-60.1	-40.5	177	-75.2	0	0	0	0	111.9	D264 F266 L299 F301 G307	D264-C303 WeakPolarHBondContact O-CB 3.47Å; F266-C303 HydrophobicContact CD2-CB 3.8Å; F266-C303 HydrophobicContact CE2-CB 4Å; L299-C303 WeakPolarHBondContact O-CB 3.4Å; L299-C303 PolarHBondContact O-N 3.29Å; L299-C303 PolarHBondContact O-SG 2.84Å; F301-C303 PolarHBondContact O-N 3.36Å; C303-G307 PolarHBondContact O-N 3.01Å
304	R	98.3	Very high	96.5	Very high	131 Å²	131	37.4 Å²	37.4	49%	0.494	19%	0.193	S	C	.	.	H	α-helix	trans	-64.5	-49.3	-179.7	-172.1	-179.7	-59.7	169.7	4.3	112.3	F266 T300 F301 G302 G307 R308	F266-R304 HydrophobicContact CD2-CB 4Å; F266-R304 HydrophobicContact CE2-CB 4.32Å; F266-R304 HydrophobicContact CG-CB 4.2Å; F266-R304 HydrophobicContact CG-CG 4.4Å; T300-R304 WeakPolarHBondContact O-CB 3.36Å; T300-R304 PolarHBondContact O-N 3.3Å; F301-R304 WeakPolarHBondContact O-CB 3.19Å; F301-R304 PolarHBondContact O-N 2.93Å; F301-R304 VanDerWaalsContact O-N 3.16Å; G302-R304 VanDerWaalsContact C-N 3.3Å; G302-R304 PolarHBondContact O-N 2.88Å; R304-G307 PolarHBondContact O-N 2.88Å; R304-R308 WeakPolarHBondContact O-CB 3.46Å; R304-R308 PolarHBondContact O-N 2.62Å
305	I	97.6	Very high	96.3	Very high	13 Å²	13	35.1 Å²	35.1	7%	0.067	18%	0.176	C	C	.	.	H	α-helix	trans	-73.4	-33.2	-177.5	63.7	164.4	0	0	0	112.3	V70 L74 T280 F301 G302 R308 K309	V70-I305 HydrophobicContact CG1-CD1 3.9Å; L74-I305 HydrophobicContact CD1-CD1 4.01Å; T280-I305 HydrophobicContact CG2-CB 4.3Å; T280-I305 HydrophobicContact CG2-CD1 3.99Å; T280-I305 HydrophobicContact CG2-CG1 3.93Å; T280-I305 WeakPolarHBondContact O-CD1 3.39Å; F301-I305 HydrophobicContact CD1-CD1 4.45Å; F301-I305 HydrophobicContact CD2-CG2 4.39Å; F301-I305 HydrophobicContact CE1-CD1 4Å; F301-I305 HydrophobicContact CE1-CG2 4.03Å; F301-I305 HydrophobicContact CE2-CG2 3.88Å; F301-I305 HydrophobicContact CZ-CG2 3.69Å; F301-I305 WeakPolarHBondContact O-CG1 3.34Å; F301-I305 PolarHBondContact O-N 2.97Å; G302-I305 WeakPolarHBondContact O-CG1 3.4Å; G302-I305 PolarHBondContact O-N 3.34Å; I305-R308 PolarHBondContact O-N 3.15Å; I305-K309 WeakPolarHBondContact O-CB 3.15Å; I305-K309 PolarHBondContact O-N 3.49Å
306	A	97.6	Very high	96	Very high	12 Å²	12	38.4 Å²	38.4	10%	0.099	19%	0.192	C	C	.	.	H	α-helix	trans	-65.9	-44.4	173.2	0	0	0	0	0	111.4	A277 T280 F281 G302 R308 K309 C310	A277-A306 WeakPolarHBondContact O-CB 3.49Å; T280-A306 HydrophobicContact CG2-CB 4.46Å; F281-A306 HydrophobicContact CB-CB 3.94Å; G302-A306 VanDerWaalsContact O-CB 3.26Å; G302-A306 WeakPolarHBondContact O-CB 3.43Å; G302-A306 PolarHBondContact O-N 3.35Å; A306-R308 PolarHBondContact O-N 3.39Å; A306-K309 WeakPolarHBondContact O-CB 3.28Å; A306-K309 PolarHBondContact O-N 3.18Å; A306-C310 PolarHBondContact O-N 3.33Å; A306-C310 VanDerWaalsContact O-N 3.08Å; A306-C310 PolarHBondContact O-SG 2.88Å
307	G	96.4	Very high	95.5	Very high	9 Å²	9	36.7 Å²	36.7	9%	0.093	19%	0.192	C	C	.	.	H	α-helix	trans	-60	-44.4	174.3	0	0	0	0	0	112.8	F266 P268 C303 R304 K309 C310	F266-G307 CarbonylContact O-C 3.55Å; F266-G307 WeakPolarHBondContact O-CA 3.24Å; P268-G307 WeakPolarHBondContact CD-O 3.44Å; C303-G307 PolarHBondContact O-N 3.01Å; R304-G307 PolarHBondContact O-N 2.88Å; G307-K309 PolarHBondContact O-N 2.91Å; G307-C310 WeakPolarHBondContact O-CB 3.42Å; G307-C310 PolarHBondContact O-N 3.35Å
308	R	95.9	Very high	95	Very high	98 Å²	98	32.8 Å²	32.8	37%	0.37	17%	0.17	S	C	.	.	H	α-helix	trans	-59.9	-46.6	172.5	176.6	168.8	-176.8	142.5	-3.3	112.2	R304 I305 A306 C310 G311 F312 G317 E320	R304-R308 WeakPolarHBondContact O-CB 3.46Å; R304-R308 PolarHBondContact O-N 2.62Å; I305-R308 PolarHBondContact O-N 3.15Å; A306-R308 PolarHBondContact O-N 3.39Å; R308-C310 PolarHBondContact O-N 3.2Å; R308-G311 PolarHBondContact O-N 3.41Å; R308-F312 HydrophobicContact CG-CE1 3.79Å; R308-F312 HydrophobicContact CG-CZ 4.34Å; R308-F312 WeakPolarHBondContact O-CE1 3.45Å; R308-G317 PolarHBondContact NE-O 2.7Å; R308-G317 PolarHBondContact NH2-O 3.32Å; R308-E320 IonicContact NH1-OE1 3.32Å; R308-E320 PolarHBondContact NH1-OE1 3.11Å
309	K	95.9	Very high	94	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-55.1	-35.2	177.5	-175.1	-87.3	151.3	-157.3	0	111.9	D273 L275 A277 T280 I305 A306 G307 G311 F312 G314 Y315 I318	D273-K309 VanDerWaalsContact CG-NZ 3.28Å; D273-K309 PolarHBondContact O-NZ 3.38Å; D273-K309 IonicContact OD1-NZ 3.76Å; D273-K309 PolarHBondContact OD1-NZ 3.35Å; D273-K309 VanDerWaalsContact OD1-NZ 3.16Å; D273-K309 IonicContact OD2-NZ 3.91Å; L275-K309 WeakPolarHBondContact O-CE 3.42Å; L275-K309 PolarHBondContact O-NZ 2.97Å; A277-K309 HydrophobicContact CB-CD 4.46Å; T280-K309 HydrophobicContact CG2-CB 4Å; T280-K309 HydrophobicContact CG2-CG 4.38Å; I305-K309 WeakPolarHBondContact O-CB 3.15Å; I305-K309 PolarHBondContact O-N 3.49Å; A306-K309 WeakPolarHBondContact O-CB 3.28Å; A306-K309 PolarHBondContact O-N 3.18Å; G307-K309 PolarHBondContact O-N 2.91Å; K309-G311 PolarHBondContact O-N 3.23Å; K309-G311 VanDerWaalsContact O-N 3.16Å; K309-F312 PolarHBondContact O-N 3.25Å; K309-F312 VanDerWaalsContact O-O 3.09Å; K309-G314 WeakPolarHBondContact CE-O 3.5Å; K309-Y315 HydrophobicContact CG-CD1 4.18Å; K309-Y315 HydrophobicContact CG-CE1 4.42Å; K309-I318 HydrophobicContact CB-CD1 4.12Å; K309-I318 HydrophobicContact CB-CG1 4.23Å; K309-I318 HydrophobicContact CG-CD1 4.07Å; K309-I318 HydrophobicContact CG-CG1 4.49Å
310	C	93.6	Very high	92	Very high	16 Å²	16	46.7 Å²	46.7	11%	0.108	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-17.1	178	-71.8	0	0	0	0	114.3	P268 L271 V272 D273 A306 G307 R308	P268-C310 HydrophobicContact CG-CB 4.02Å; L271-C310 HydrophobicContact CD1-CB 3.72Å; V272-C310 PolarHBondContact N-O 3.34Å; D273-C310 PolarHBondContact N-O 2.88Å; D273-C310 VanDerWaalsContact N-O 3.11Å; D273-C310 VanDerWaalsContact O-CA 3.31Å; D273-C310 WeakPolarHBondContact O-CA 3.31Å; A306-C310 PolarHBondContact O-N 3.33Å; A306-C310 VanDerWaalsContact O-N 3.08Å; A306-C310 PolarHBondContact O-SG 2.88Å; G307-C310 WeakPolarHBondContact O-CB 3.42Å; G307-C310 PolarHBondContact O-N 3.35Å; R308-C310 PolarHBondContact O-N 3.2Å
311	G	92.8	Very high	89.2	Confident	25 Å²	25	58.4 Å²	58.4	26%	0.258	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	0.2	-176.4	0	0	0	0	0	115.9	V272 R308 K309	V272-G311 WeakPolarHBondContact CG2-O 3.46Å; R308-G311 PolarHBondContact O-N 3.41Å; K309-G311 PolarHBondContact O-N 3.23Å; K309-G311 VanDerWaalsContact O-N 3.16Å
312	F	91.3	Very high	88.8	Confident	47 Å²	47	58.6 Å²	58.6	21%	0.206	28%	0.279	C	S	.	.	S	Bend	trans	-154.7	163.6	177.9	50.8	-97.4	0	0	0	111.8	D273 R308 K309 G317 I318	D273-F312 WeakPolarHBondContact CB-O 3.44Å; R308-F312 HydrophobicContact CG-CE1 3.79Å; R308-F312 HydrophobicContact CG-CZ 4.34Å; R308-F312 WeakPolarHBondContact O-CE1 3.45Å; K309-F312 PolarHBondContact O-N 3.25Å; K309-F312 VanDerWaalsContact O-O 3.09Å; F312-G317 VanDerWaalsContact CZ-CA 3.41Å; F312-I318 HydrophobicContact CE2-CG1 4.17Å; F312-I318 HydrophobicContact CZ-CB 4.47Å; F312-I318 HydrophobicContact CZ-CG1 3.72Å; F312-I318 VanDerWaalsContact CZ-N 3.25Å
313	H	89.8	Confident	88.3	Confident	87 Å²	87	61.6 Å²	61.6	40%	0.403	29%	0.294	S	S	.	.	S	Bend	trans	-72	136.5	176.7	-62.7	-53.7	0	0	0	112.6	V272 D273	V272-H313 WeakPolarHBondContact CG1-CE1 3.28Å; D273-H313 IonicContact OD2-ND1 2.9Å
314	G	91.4	Very high	87.7	Confident	7 Å²	7	64.7 Å²	64.7	7%	0.072	31%	0.308	C	S	.	.	S	Bend	trans	68.6	-145.4	178.1	0	0	0	0	0	113.1	Q59 D273 K309	Q59-G314 VanDerWaalsContact OE1-CA 3.29Å; D273-G314 PolarHBondContact OD2-N 2.84Å; K309-G314 WeakPolarHBondContact CE-O 3.5Å
315	Y	94.9	Very high	87	Confident	4 Å²	4	60.8 Å²	60.8	2%	0.016	30%	0.297	C	S	.	.	S	Bend	trans	-121.2	-15.2	-170.2	-58.6	-77	0	0	0	114.6	N66 T69 V70 L73 K309 G317 I318	N66-Y315 WeakPolarHBondContact CB-OH 3.44Å; N66-Y315 PolarHBondContact ND2-OH 3.16Å; N66-Y315 VanDerWaalsContact ND2-OH 3.14Å; N66-Y315 PolarHBondContact OD1-OH 3.34Å; T69-Y315 HydrophobicContact CG2-CD2 3.69Å; T69-Y315 HydrophobicContact CG2-CE2 4.47Å; T69-Y315 HydrophobicContact CG2-CG 3.71Å; V70-Y315 HydrophobicContact CG2-CD1 3.86Å; V70-Y315 HydrophobicContact CG2-CE1 4.21Å; L73-Y315 VanDerWaalsContact CD1-O 3.26Å; L73-Y315 WeakPolarHBondContact CD1-O 3.13Å; K309-Y315 HydrophobicContact CG-CD1 4.18Å; K309-Y315 HydrophobicContact CG-CE1 4.42Å; Y315-G317 PolarHBondContact O-N 3.43Å; Y315-G317 VanDerWaalsContact O-N 3.12Å; Y315-I318 HydrophobicContact CD1-CD1 4.04Å; Y315-I318 VanDerWaalsContact O-CB 3.32Å; Y315-I318 WeakPolarHBondContact O-CB 3.21Å; Y315-I318 VanDerWaalsContact O-CG1 3.23Å; Y315-I318 WeakPolarHBondContact O-CG1 3.3Å; Y315-I318 PolarHBondContact O-N 3.44Å
316	D	91.4	Very high	86.4	Confident	104 Å²	104	63.8 Å²	63.8	56%	0.556	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-69	-20.2	-164.8	-61.4	-28.6	0	0	0	113.8	R100 I318	R100-D316 IonicContact CZ-OD1 3.97Å; R100-D316 VanDerWaalsContact CZ-OD1 3.32Å; R100-D316 IonicContact NH1-OD1 3.6Å; R100-D316 PolarHBondContact NH1-OD1 3.4Å; R100-D316 IonicContact NH2-OD1 3.31Å; R100-D316 PolarHBondContact NH2-OD1 2.74Å; R100-D316 IonicContact NH2-OD2 3.63Å; D316-I318 VanDerWaalsContact C-N 3.25Å; D316-I318 PolarHBondContact O-N 2.82Å
317	G	88.7	Confident	85.6	Confident	27 Å²	27	67.2 Å²	67.2	28%	0.278	33%	0.325	S	S	.	.	G	3₁₀ helix	trans	-76.4	-3.4	173.8	0	0	0	0	0	115.2	R308 F312 Y315	R308-G317 PolarHBondContact NE-O 2.7Å; R308-G317 PolarHBondContact NH2-O 3.32Å; F312-G317 VanDerWaalsContact CZ-CA 3.41Å; Y315-G317 PolarHBondContact O-N 3.43Å; Y315-G317 VanDerWaalsContact O-N 3.12Å
318	I	87.9	Confident	84.9	Confident	11 Å²	11	71.4 Å²	71.4	6%	0.056	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-69	-36.9	178.7	-66.8	174.8	0	0	0	110.8	V70 L73 T280 K309 F312 Y315 D316 E320	V70-I318 HydrophobicContact CG1-CD1 4.45Å; V70-I318 HydrophobicContact CG2-CD1 3.92Å; L73-I318 HydrophobicContact CD1-CB 4.45Å; T280-I318 HydrophobicContact CG2-CD1 3.85Å; K309-I318 HydrophobicContact CB-CD1 4.12Å; K309-I318 HydrophobicContact CB-CG1 4.23Å; K309-I318 HydrophobicContact CG-CD1 4.07Å; K309-I318 HydrophobicContact CG-CG1 4.49Å; F312-I318 HydrophobicContact CE2-CG1 4.17Å; F312-I318 HydrophobicContact CZ-CB 4.47Å; F312-I318 HydrophobicContact CZ-CG1 3.72Å; F312-I318 VanDerWaalsContact CZ-N 3.25Å; Y315-I318 HydrophobicContact CD1-CD1 4.04Å; Y315-I318 VanDerWaalsContact O-CB 3.32Å; Y315-I318 WeakPolarHBondContact O-CB 3.21Å; Y315-I318 VanDerWaalsContact O-CG1 3.23Å; Y315-I318 WeakPolarHBondContact O-CG1 3.3Å; Y315-I318 PolarHBondContact O-N 3.44Å; D316-I318 VanDerWaalsContact C-N 3.25Å; D316-I318 PolarHBondContact O-N 2.82Å; I318-E320 PolarHBondContact O-N 3.46Å
319	R	77.9	Confident	84	Confident	136 Å²	136	69.3 Å²	69.3	51%	0.513	34%	0.34	S	S	.	.	S	Bend	trans	-66.6	126.3	175.8	-79.9	-178.6	174.6	168.9	5.9	109.9	S72 L73	S72-R319 PolarHBondContact O-NH2 3.5Å; L73-R319 HydrophobicContact CB-CG 4.18Å; L73-R319 HydrophobicContact CD2-CG 3.98Å; L73-R319 VanDerWaalsContact O-CG 3.23Å; L73-R319 WeakPolarHBondContact O-CG 3.38Å; L73-R319 PolarHBondContact O-NE 3.35Å
320	E	55.3	Low	83	Confident	157 Å²	157	75.1 Å²	75.1	73%	0.734	37%	0.368	S	S	*	.			trans	-68.7	142.8	160.8	-73.3	-177.2	164.7	0	0	109.2	R308 I318	R308-E320 IonicContact NH1-OE1 3.32Å; R308-E320 PolarHBondContact NH1-OE1 3.11Å; I318-E320 PolarHBondContact O-N 3.46Å
321	K	41.5	Very low	82.1	Confident	280 Å²	280	80.5 Å²	80.5	100%	1.217	39%	0.392	S	S	*	.			trans	-84.3	0	162.7	-80.2	-175	177.6	177.6	0	109

Retrieved 321 of 321 residues in 511 ms (Link to these results)

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