A0A096MWP6_PAPAN Loading...

Endoplasmic reticulum resident protein 27

Specifically binds unfolded proteins and may recruit protein disulfide isomerase PDIA3 to unfolded substrates. Binds protein substrates via a hydrophobic pocket in the C-terminal domain. May play a role in the unfolded stress response.

AlphaFold DB , UniProt , Accession A0A096MWP6, Species PAPAN (Papio anubis, Olive baboon), Gene ERP27, Length 273 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37	Very low	40.2	Very low	219 Å²	219	111 Å²	111	100%	1.079	58%	0.577	S	S	*	*				0	-34.4	0	-154.6	152.5	47.4	0	0	111.8
2	E	26.8	Very low	40.8	Very low	178 Å²	178	107.9 Å²	107.9	83%	0.832	56%	0.561	S	S	*	*	H	α-helix	trans	-74.3	-26.7	173.8	-71.2	175.7	147.3	0	0	115.1	A4 S6	E2-A4 PolarHBondContact O-N 3.26Å; E2-S6 PolarHBondContact O-N 3.17Å
3	A	30.7	Very low	40.8	Very low	66 Å²	66	110 Å²	110	55%	0.545	56%	0.563	S	S	.	*	H	α-helix	trans	-69.7	-28.5	-178	0	0	0	0	0	114.2
4	A	39.3	Very low	41.1	Very low	68 Å²	68	105.9 Å²	105.9	56%	0.562	54%	0.543	S	S	*	.	H	α-helix	trans	-76.1	-39.8	179.3	0	0	0	0	0	111.8	E2 S6 R7 F8	E2-A4 PolarHBondContact O-N 3.26Å; A4-S6 VanDerWaalsContact C-N 3.28Å; A4-S6 PolarHBondContact O-N 2.87Å; A4-R7 PolarHBondContact O-N 3.42Å; A4-F8 PolarHBondContact O-N 3.09Å
5	L	35.4	Very low	41.6	Very low	138 Å²	138	102.9 Å²	102.9	72%	0.723	53%	0.528	S	S	*	.	H	α-helix	trans	-65.1	-33.7	174.8	-131.6	97.3	0	0	0	111.8	R7 M9	L5-R7 VanDerWaalsContact C-N 3.27Å; L5-R7 PolarHBondContact O-N 3.29Å; L5-M9 WeakPolarHBondContact O-CG 3.34Å
6	S	39.6	Very low	41.5	Very low	82 Å²	82	102.5 Å²	102.5	57%	0.573	53%	0.532	S	S	*	.	H	α-helix	trans	-71.1	-16.4	-178.2	-173.3	0	0	0	0	114.3	E2 A4	E2-S6 PolarHBondContact O-N 3.17Å; A4-S6 VanDerWaalsContact C-N 3.28Å; A4-S6 PolarHBondContact O-N 2.87Å
7	R	50	Low	41.3	Very low	134 Å²	134	101.9 Å²	101.9	51%	0.506	54%	0.537	S	S	.	.	H	α-helix	trans	-112.2	-26.2	-173.8	-66.1	-175.8	-176	177.7	-1.1	114.1	A4 L5 M9 F10 D230	A4-R7 PolarHBondContact O-N 3.42Å; L5-R7 VanDerWaalsContact C-N 3.27Å; L5-R7 PolarHBondContact O-N 3.29Å; R7-M9 PolarHBondContact O-N 3.49Å; R7-F10 WeakPolarHBondContact O-CB 3.4Å; R7-F10 PolarHBondContact O-N 3.37Å; R7-D230 WeakPolarHBondContact CD-OD2 3.35Å; R7-D230 IonicContact CZ-OD2 3.41Å; R7-D230 IonicContact NE-OD2 3.71Å; R7-D230 IonicContact NH1-OD2 3.67Å; R7-D230 PolarHBondContact NH1-OD2 3.39Å
8	F	45.1	Very low	41.2	Very low	89 Å²	89	104.6 Å²	104.6	39%	0.39	55%	0.552	S	S	.	*	H	α-helix	trans	-52.2	-40	158.2	-163.8	-89.8	0	0	0	110.7	A4 F10 L12 F156	A4-F8 PolarHBondContact O-N 3.09Å; F8-F10 VanDerWaalsContact C-N 3.27Å; F8-F10 PolarHBondContact O-N 3.22Å; F8-L12 HydrophobicContact CE1-CD1 4.17Å; F8-L12 PolarHBondContact O-N 3.46Å; F8-L12 VanDerWaalsContact O-N 3.15Å; F8-F156 HydrophobicContact CD2-CD1 4.01Å; F8-F156 HydrophobicContact CE2-CB 3.59Å; F8-F156 AromaticContact CE2-CD1 3.86Å; F8-F156 HydrophobicContact CE2-CD1 3.86Å; F8-F156 HydrophobicContact CE2-CG 4.12Å; F8-F156 HydrophobicContact CZ-CB 3.9Å
9	M	43.1	Very low	40.9	Very low	95 Å²	95	107.8 Å²	107.8	47%	0.468	57%	0.569	S	S	.	*	H	α-helix	trans	-63.4	-23.3	171.8	-75.1	-73	-78.5	0	0	114.1	L5 R7 L12 F13	L5-M9 WeakPolarHBondContact O-CG 3.34Å; R7-M9 PolarHBondContact O-N 3.49Å; M9-L12 CarbonylContact O-C 3.55Å; M9-F13 HydrophobicContact CE-CD2 4.4Å; M9-F13 HydrophobicContact CE-CE2 4.28Å; M9-F13 WeakPolarHBondContact O-CA 3.2Å; M9-F13 WeakPolarHBondContact O-CB 3.48Å; M9-F13 PolarHBondContact O-N 3.29Å
10	F	47.9	Very low	40.5	Very low	130 Å²	130	108.2 Å²	108.2	57%	0.57	58%	0.576	S	S	*	*	H	α-helix	trans	-76.6	-41	-178.8	-164.1	-98.5	0	0	0	111.8	R7 F8 F13 L14	R7-F10 WeakPolarHBondContact O-CB 3.4Å; R7-F10 PolarHBondContact O-N 3.37Å; F8-F10 VanDerWaalsContact C-N 3.27Å; F8-F10 PolarHBondContact O-N 3.22Å; F10-F13 PolarHBondContact O-N 3.39Å; F10-L14 WeakPolarHBondContact O-CG 3.46Å; F10-L14 PolarHBondContact O-N 2.83Å
11	F	47.8	Very low	40.4	Very low	22 Å²	22	108.4 Å²	108.4	10%	0.096	59%	0.593	C	S	.	*	H	α-helix	trans	-69.9	-34.4	170.1	-90	-80.3	0	0	0	111.9	L14 F156 F211	F11-L14 HydrophobicContact CD1-CD1 4.15Å; F11-L14 HydrophobicContact CE1-CD1 4.46Å; F11-L14 PolarHBondContact O-N 3.38Å; F11-F156 HydrophobicContact CD2-CZ 4.37Å; F11-F156 HydrophobicContact CG-CZ 4.37Å; F11-F211 HydrophobicContact CE1-CD2 4.5Å; F11-F211 HydrophobicContact CE1-CG 4.39Å; F11-F211 HydrophobicContact CE2-CD1 4.39Å; F11-F211 AromaticContact CE2-CD2 3.95Å; F11-F211 HydrophobicContact CE2-CD2 3.95Å; F11-F211 HydrophobicContact CE2-CE1 4.03Å; F11-F211 AromaticContact CE2-CE2 3.55Å; F11-F211 HydrophobicContact CE2-CE2 3.55Å; F11-F211 HydrophobicContact CE2-CG 4.36Å; F11-F211 AromaticContact CE2-CZ 3.59Å; F11-F211 HydrophobicContact CE2-CZ 3.59Å; F11-F211 HydrophobicContact CZ-CB 4.39Å; F11-F211 AromaticContact CZ-CD1 3.68Å; F11-F211 HydrophobicContact CZ-CD1 3.68Å; F11-F211 AromaticContact CZ-CD2 3.62Å; F11-F211 HydrophobicContact CZ-CD2 3.62Å; F11-F211 AromaticContact CZ-CE1 3.74Å; F11-F211 HydrophobicContact CZ-CE1 3.74Å; F11-F211 AromaticContact CZ-CE2 3.68Å; F11-F211 HydrophobicContact CZ-CE2 3.68Å; F11-F211 AromaticContact CZ-CG 3.62Å; F11-F211 HydrophobicContact CZ-CG 3.62Å; F11-F211 AromaticContact CZ-CZ 3.74Å; F11-F211 HydrophobicContact CZ-CZ 3.74Å
12	L	46.7	Very low	40.1	Very low	74 Å²	74	106.7 Å²	106.7	39%	0.387	58%	0.582	S	S	.	*	H	α-helix	trans	-66.9	-34.3	169.8	-126.4	86.1	0	0	0	112.8	F8 M9 L14 L15	F8-L12 HydrophobicContact CE1-CD1 4.17Å; F8-L12 PolarHBondContact O-N 3.46Å; F8-L12 VanDerWaalsContact O-N 3.15Å; M9-L12 CarbonylContact O-C 3.55Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 2.93Å; L12-L15 VanDerWaalsContact O-CB 3.28Å; L12-L15 WeakPolarHBondContact O-CB 3.34Å; L12-L15 PolarHBondContact O-N 3.16Å; L12-L15 VanDerWaalsContact O-N 3.16Å
13	F	41.2	Very low	40.3	Very low	135 Å²	135	103.2 Å²	103.2	59%	0.592	58%	0.583	S	S	*	*	H	α-helix	trans	-71.4	-22.3	179.3	-120.7	-98.4	0	0	0	113	M9 F10 L15 T16	M9-F13 HydrophobicContact CE-CD2 4.4Å; M9-F13 HydrophobicContact CE-CE2 4.28Å; M9-F13 WeakPolarHBondContact O-CA 3.2Å; M9-F13 WeakPolarHBondContact O-CB 3.48Å; M9-F13 PolarHBondContact O-N 3.29Å; F10-F13 PolarHBondContact O-N 3.39Å; F13-L15 PolarHBondContact O-N 2.97Å; F13-L15 VanDerWaalsContact O-N 3.13Å; F13-T16 PolarHBondContact O-N 3.26Å
14	L	45.4	Very low	40.4	Very low	53 Å²	53	104.8 Å²	104.8	28%	0.277	60%	0.597	S	S	.	*	T	Hydrogen-bonded Turn	trans	-65.4	-10.7	172.7	-65.1	171.1	0	0	0	112.1	F10 F11 L12 K207	F10-L14 WeakPolarHBondContact O-CG 3.46Å; F10-L14 PolarHBondContact O-N 2.83Å; F11-L14 HydrophobicContact CD1-CD1 4.15Å; F11-L14 HydrophobicContact CE1-CD1 4.46Å; F11-L14 PolarHBondContact O-N 3.38Å; L12-L14 VanDerWaalsContact C-N 3.29Å; L12-L14 PolarHBondContact O-N 2.93Å; L14-K207 HydrophobicContact CB-CD 3.94Å; L14-K207 HydrophobicContact CD1-CB 4.33Å; L14-K207 HydrophobicContact CD2-CD 3.84Å; L14-K207 HydrophobicContact CD2-CG 4.5Å; L14-K207 HydrophobicContact CG-CD 4.33Å; L14-K207 PolarHBondContact O-NZ 2.91Å
15	L	48.7	Very low	40	Very low	60 Å²	60	106.2 Å²	106.2	31%	0.314	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-91.9	-11.4	179.6	-73.6	140	0	0	0	116	L12 F13 P149	L12-L15 VanDerWaalsContact O-CB 3.28Å; L12-L15 WeakPolarHBondContact O-CB 3.34Å; L12-L15 PolarHBondContact O-N 3.16Å; L12-L15 VanDerWaalsContact O-N 3.16Å; F13-L15 PolarHBondContact O-N 2.97Å; F13-L15 VanDerWaalsContact O-N 3.13Å; L15-P149 HydrophobicContact CD2-CB 3.56Å; L15-P149 HydrophobicContact CD2-CG 4.02Å
16	T	38.9	Very low	39.8	Very low	97 Å²	97	108.7 Å²	108.7	60%	0.595	62%	0.616	S	S	*	*	S	Bend	trans	-102.7	13.2	-169.6	62.5	0	0	0	0	116.6	F13	F13-T16 PolarHBondContact O-N 3.26Å
17	C	39.1	Very low	39.4	Very low	92 Å²	92	111.3 Å²	111.3	62%	0.622	63%	0.629	S	S	*	*	S	Bend	trans	-118.7	116	165.4	-67.5	0	0	0	0	109.3
18	D	38.7	Very low	38.6	Very low	150 Å²	150	114 Å²	114	80%	0.802	65%	0.647	S	S	*	*			trans	92	59.1	175	-51	-31.5	0	0	0	116.9	T20	D18-T20 VanDerWaalsContact C-N 3.33Å; D18-T20 PolarHBondContact O-N 2.74Å
19	L	36	Very low	37.8	Very low	166 Å²	166	119.3 Å²	119.3	87%	0.869	67%	0.67	S	S	*	*			trans	-80.1	87.1	145.8	-95.5	92	0	0	0	108.8
20	T	33.6	Very low	37.5	Very low	116 Å²	116	120.5 Å²	120.5	71%	0.712	69%	0.688	S	S	*	*			trans	-108	113.7	149.1	42.5	0	0	0	0	107.1	D18 E22	D18-T20 VanDerWaalsContact C-N 3.33Å; D18-T20 PolarHBondContact O-N 2.74Å; T20-E22 PolarHBondContact O-N 3.47Å; T20-E22 VanDerWaalsContact O-N 3.11Å
21	A	36.8	Very low	37	Very low	113 Å²	113	119 Å²	119	93%	0.934	70%	0.7	S	S	*	*			trans	-62.1	110.3	172.9	0	0	0	0	0	108.7
22	E	30.9	Very low	36.6	Very low	183 Å²	183	126.6 Å²	126.6	86%	0.855	74%	0.741	S	S	*	*			trans	-106.8	115.1	169.5	-162.3	163.1	-166.1	0	0	107.8	T20 A24	T20-E22 PolarHBondContact O-N 3.47Å; T20-E22 VanDerWaalsContact O-N 3.11Å; E22-A24 PolarHBondContact O-N 3.15Å
23	A	32	Very low	36	Very low	104 Å²	104	125.4 Å²	125.4	86%	0.86	75%	0.747	S	S	*	*	P	Polyproline II helix	trans	-67.4	118.5	-177.1	0	0	0	0	0	110.2
24	A	32.4	Very low	36	Very low	100 Å²	100	125.6 Å²	125.6	83%	0.826	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-85.3	128.2	168.4	0	0	0	0	0	109.4	E22	E22-A24 PolarHBondContact O-N 3.15Å
25	A	31.6	Very low	35.8	Very low	98 Å²	98	126.3 Å²	126.3	81%	0.81	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-70.2	131.8	-179	0	0	0	0	0	111.6
26	E	31.1	Very low	35.7	Very low	189 Å²	189	128 Å²	128	88%	0.883	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-68.7	130.4	170.8	-71.1	177.1	157.9	0	0	110.5
27	V	30.8	Very low	36.7	Very low	138 Å²	138	126.1 Å²	126.1	84%	0.836	80%	0.799	S	S	*	*			trans	-102.4	104.2	163.5	173.2	0	0	0	0	106.7	K29	V27-K29 PolarHBondContact O-N 2.94Å
28	E	32.7	Very low	38.6	Very low	190 Å²	190	128.2 Å²	128.2	89%	0.888	80%	0.8	S	S	*	*			trans	-58.1	124.2	167.9	-83	-173.1	141.6	0	0	109.8
29	K	29	Very low	41.1	Very low	200 Å²	200	126 Å²	126	87%	0.87	79%	0.785	S	S	*	*			trans	-112.6	109.5	159	-154.2	176.6	-174.7	-178.7	0	106.9	V27 A31	V27-K29 PolarHBondContact O-N 2.94Å; K29-A31 PolarHBondContact O-N 3.41Å
30	S	35.6	Very low	44	Very low	120 Å²	120	118.6 Å²	118.6	84%	0.839	75%	0.747	S	S	*	*			trans	-61.1	128.2	179.1	47.7	0	0	0	0	111.3
31	A	37.8	Very low	47	Very low	100 Å²	100	116.6 Å²	116.6	83%	0.826	73%	0.734	S	S	*	*			trans	-126.3	111.3	162.8	0	0	0	0	0	107.6	K29	K29-A31 PolarHBondContact O-N 3.41Å
32	D	40.5	Very low	49.9	Very low	180 Å²	180	116.7 Å²	116.7	96%	0.963	71%	0.71	S	S	*	*			trans	-91.8	119.8	-178	-151.5	2.3	0	0	0	108.9
33	G	33.7	Very low	53.2	Low	50 Å²	50	108.2 Å²	108.2	52%	0.515	67%	0.671	S	S	.	*	S	Bend	trans	152.7	138.9	177.2	0	0	0	0	0	111.1	G35	G33-G35 PolarHBondContact O-N 3.4Å
34	P	41.7	Very low	56.3	Low	138 Å²	138	106.2 Å²	106.2	90%	0.896	65%	0.654	S	S	*	*			trans	-72.3	86.5	175.5	30.3	-29.7	0	0	0	107.8	A36	P34-A36 PolarHBondContact O-N 3.31Å; P34-A36 VanDerWaalsContact O-N 3.16Å
35	G	40.7	Very low	59.4	Low	69 Å²	69	105.1 Å²	105.1	71%	0.711	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-59.7	117.7	174.8	0	0	0	0	0	108.3	G33 A37	G33-G35 PolarHBondContact O-N 3.4Å; G35-A37 PolarHBondContact O-N 3.18Å; G35-A37 VanDerWaalsContact O-N 3.1Å
36	A	46.7	Very low	62.6	Low	96 Å²	96	101.8 Å²	101.8	79%	0.793	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-52	122.7	168	0	0	0	0	0	107.3	P34 Q38	P34-A36 PolarHBondContact O-N 3.31Å; P34-A36 VanDerWaalsContact O-N 3.16Å; A36-Q38 PolarHBondContact O-N 3.32Å; A36-Q38 VanDerWaalsContact O-N 3.09Å
37	A	59.5	Low	65.8	Low	57 Å²	57	96.9 Å²	96.9	47%	0.471	59%	0.589	S	S	.	*	P	Polyproline II helix	trans	-52	123.1	175.8	0	0	0	0	0	107.7	G35 E39	G35-A37 PolarHBondContact O-N 3.18Å; G35-A37 VanDerWaalsContact O-N 3.1Å; A37-E39 PolarHBondContact O-N 3.4Å
38	Q	78.7	Confident	69	Low	135 Å²	135	91.9 Å²	91.9	63%	0.631	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-65.5	120	177.4	-158.5	164.9	5.2	0	0	106.8	A36 V79	A36-Q38 PolarHBondContact O-N 3.32Å; A36-Q38 VanDerWaalsContact O-N 3.09Å; Q38-V79 HydrophobicContact CB-CG1 3.77Å; Q38-V79 HydrophobicContact CG-CG1 3.84Å; Q38-V79 WeakPolarHBondContact O-CB 3.47Å; Q38-V79 VanDerWaalsContact O-CG1 3.28Å; Q38-V79 WeakPolarHBondContact O-CG1 3.44Å
39	E	91.8	Very high	72.2	Confident	104 Å²	104	82.8 Å²	82.8	49%	0.486	52%	0.519	S	S	.	.			trans	-104	152.3	-174.5	-76.6	-73.1	178.5	0	0	110.4	A37 R76	A37-E39 PolarHBondContact O-N 3.4Å; E39-R76 WeakPolarHBondContact OE2-CD 3.41Å; E39-R76 IonicContact OE2-CZ 2.93Å; E39-R76 IonicContact OE2-NE 3.88Å; E39-R76 IonicContact OE2-NH1 3.78Å; E39-R76 PolarHBondContact OE2-NH1 3.15Å
40	P	95.9	Very high	75.5	Confident	11 Å²	11	77.9 Å²	77.9	7%	0.071	50%	0.5	C	S	.	.	P	Polyproline II helix	trans	-58.9	142.8	171.2	-21.9	34.3	0	0	0	111.6	R76 V79 F87 I89	P40-R76 HydrophobicContact CG-CG 3.9Å; P40-V79 HydrophobicContact CG-CG2 3.77Å; P40-F87 CarbonylContact C-O 3.58Å; P40-F87 WeakPolarHBondContact CA-O 3.29Å; P40-F87 HydrophobicContact CB-CB 4.09Å; P40-F87 HydrophobicContact CG-CB 4.31Å; P40-I89 HydrophobicContact CB-CD1 3.97Å; P40-I89 HydrophobicContact CB-CG1 3.86Å; P40-I89 HydrophobicContact CG-CD1 3.96Å; P40-I89 HydrophobicContact CG-CG1 4.31Å
41	T	97.8	Very high	78.4	Confident	73 Å²	73	79.1 Å²	79.1	45%	0.448	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71	134.4	177.1	-59	0	0	0	0	110.3	L43 F52 F87 G88 I89	T41-L43 HydrophobicContact CG2-CD2 4.15Å; T41-F52 HydrophobicContact CG2-CD2 4.29Å; T41-F52 HydrophobicContact CG2-CE2 4.33Å; T41-F87 PolarHBondContact N-O 2.83Å; T41-G88 CarbonylContact O-C 3.57Å; T41-G88 VanDerWaalsContact O-CA 3.23Å; T41-G88 WeakPolarHBondContact O-CA 3.46Å; T41-I89 PolarHBondContact O-N 3.32Å
42	W	97.9	Very high	81.3	Confident	116 Å²	116	75.8 Å²	75.8	44%	0.439	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	122.1	176.2	-152.7	-107	0	0	0	111	L67 I89 T91	W42-L67 HydrophobicContact CH2-CD1 3.79Å; W42-L67 HydrophobicContact CH2-CD2 3.9Å; W42-L67 HydrophobicContact CH2-CG 4.5Å; W42-L67 HydrophobicContact CZ2-CD1 4.34Å; W42-I89 HydrophobicContact CE3-CB 3.75Å; W42-I89 HydrophobicContact CE3-CG2 3.86Å; W42-I89 HydrophobicContact CH2-CB 4.3Å; W42-I89 HydrophobicContact CH2-CG2 3.47Å; W42-I89 VanDerWaalsContact CH2-CG2 3.47Å; W42-I89 HydrophobicContact CZ2-CG2 4.41Å; W42-I89 HydrophobicContact CZ3-CB 3.48Å; W42-I89 VanDerWaalsContact CZ3-CB 3.48Å; W42-I89 HydrophobicContact CZ3-CD1 4.22Å; W42-I89 HydrophobicContact CZ3-CG1 4.44Å; W42-I89 HydrophobicContact CZ3-CG2 3.14Å; W42-T91 HydrophobicContact CH2-CG2 3.7Å; W42-T91 HydrophobicContact CZ2-CG2 3.55Å
43	L	98.4	Very high	84.1	Confident	4 Å²	4	68.8 Å²	68.8	2%	0.021	42%	0.422	C	S	.	.			trans	-104.4	93.9	-176.7	-53.9	176.1	0	0	0	108.8	T41 A49 F52 I61 I89 S90	T41-L43 HydrophobicContact CG2-CD2 4.15Å; L43-A49 HydrophobicContact CB-CB 4.24Å; L43-A49 HydrophobicContact CD1-CB 4.13Å; L43-F52 HydrophobicContact CD1-CD1 4.04Å; L43-F52 HydrophobicContact CD1-CG 4.34Å; L43-F52 HydrophobicContact CD2-CB 3.65Å; L43-F52 HydrophobicContact CD2-CD1 4.24Å; L43-F52 HydrophobicContact CD2-CD2 4Å; L43-F52 HydrophobicContact CD2-CG 3.71Å; L43-I61 HydrophobicContact CD1-CD1 3.59Å; L43-I61 HydrophobicContact CD1-CG1 3.97Å; L43-I61 HydrophobicContact CD1-CG2 3.9Å; L43-I89 PolarHBondContact N-O 3.39Å; L43-S90 WeakPolarHBondContact O-CB 3.44Å; L43-S90 PolarHBondContact O-OG 3.39Å
44	A	97.3	Very high	87	Confident	62 Å²	62	69.9 Å²	69.9	51%	0.512	43%	0.426	S	S	.	.			trans	-77.9	-21.9	-169	0	0	0	0	0	114.4
45	D	98.4	Very high	89.6	Confident	77 Å²	77	67.5 Å²	67.5	41%	0.412	42%	0.418	S	S	.	.	S	Bend	trans	-153.3	170.8	-178.5	57.9	39.6	0	0	0	111.4	P47 A48 A49 V95	D45-P47 VanDerWaalsContact OD1-CD 3.31Å; D45-P47 WeakPolarHBondContact OD1-CD 2.87Å; D45-A48 PolarHBondContact O-N 3.38Å; D45-A48 VanDerWaalsContact OD1-CB 3.24Å; D45-A48 WeakPolarHBondContact OD1-CB 3.43Å; D45-A48 PolarHBondContact OD1-N 3.04Å; D45-A49 PolarHBondContact O-N 3.28Å; D45-A49 VanDerWaalsContact O-N 3.09Å; D45-V95 WeakPolarHBondContact O-CG2 3.3Å
46	V	98.5	Very high	92.3	Very high	29 Å²	29	65.3 Å²	65.3	18%	0.176	39%	0.391	C	S	.	.	H	α-helix	trans	-58.3	-48.3	-178.3	171.9	0	0	0	0	112	A48 A49 M50 E94 V95 H98	V46-A48 PolarHBondContact O-N 3.29Å; V46-A49 PolarHBondContact O-N 2.72Å; V46-M50 HydrophobicContact CG1-CG 4.18Å; V46-M50 HydrophobicContact CG1-SD 3.77Å; V46-M50 WeakPolarHBondContact O-CG 3.4Å; V46-M50 PolarHBondContact O-N 3.13Å; V46-E94 HydrophobicContact CG2-CB 4.36Å; V46-V95 HydrophobicContact CG2-CG2 4.1Å; V46-H98 HydrophobicContact CG1-CB 4.25Å; V46-H98 WeakPolarHBondContact CG1-ND1 3.45Å; V46-H98 HydrophobicContact CG2-CB 3.82Å
47	P	98.5	Very high	94.7	Very high	86 Å²	86	63.8 Å²	63.8	56%	0.558	37%	0.368	S	S	*	.	H	α-helix	trans	-54.7	-46.1	175.9	-27.6	35.5	0	0	0	113.8	D45 A49 M50 E51	D45-P47 VanDerWaalsContact OD1-CD 3.31Å; D45-P47 WeakPolarHBondContact OD1-CD 2.87Å; P47-A49 VanDerWaalsContact C-N 3.33Å; P47-A49 PolarHBondContact O-N 3.45Å; P47-M50 PolarHBondContact O-N 2.86Å; P47-E51 WeakPolarHBondContact O-CB 2.95Å; P47-E51 PolarHBondContact O-N 3.43Å
48	A	98.4	Very high	96.6	Very high	32 Å²	32	61 Å²	61	26%	0.264	35%	0.345	S	S	.	.	H	α-helix	trans	-62.1	-41.4	178.7	0	0	0	0	0	111.8	D45 V46 F52	D45-A48 PolarHBondContact O-N 3.38Å; D45-A48 VanDerWaalsContact OD1-CB 3.24Å; D45-A48 WeakPolarHBondContact OD1-CB 3.43Å; D45-A48 PolarHBondContact OD1-N 3.04Å; V46-A48 PolarHBondContact O-N 3.29Å; A48-F52 WeakPolarHBondContact O-CB 3.4Å; A48-F52 PolarHBondContact O-N 3.34Å
49	A	98.5	Very high	97.5	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65.2	-43.1	176.6	0	0	0	0	0	112.4	L43 D45 V46 P47 F52 I53 V95 Y99	L43-A49 HydrophobicContact CB-CB 4.24Å; L43-A49 HydrophobicContact CD1-CB 4.13Å; D45-A49 PolarHBondContact O-N 3.28Å; D45-A49 VanDerWaalsContact O-N 3.09Å; V46-A49 PolarHBondContact O-N 2.72Å; P47-A49 VanDerWaalsContact C-N 3.33Å; P47-A49 PolarHBondContact O-N 3.45Å; A49-F52 PolarHBondContact O-N 2.59Å; A49-I53 WeakPolarHBondContact O-CG1 3.46Å; A49-I53 PolarHBondContact O-N 3.04Å; A49-V95 HydrophobicContact CB-CG1 4.08Å; A49-Y99 HydrophobicContact CB-CE2 3.83Å
50	M	98.3	Very high	97.8	Very high	96 Å²	96	49.7 Å²	49.7	47%	0.473	29%	0.292	S	S	.	.	H	α-helix	trans	-64.1	-45.1	177.6	-69.7	176.4	69.5	0	0	112	V46 P47 F52 I53 A54 Y99	V46-M50 HydrophobicContact CG1-CG 4.18Å; V46-M50 HydrophobicContact CG1-SD 3.77Å; V46-M50 WeakPolarHBondContact O-CG 3.4Å; V46-M50 PolarHBondContact O-N 3.13Å; P47-M50 PolarHBondContact O-N 2.86Å; M50-F52 VanDerWaalsContact C-N 3.33Å; M50-I53 PolarHBondContact O-N 3.09Å; M50-A54 WeakPolarHBondContact O-CB 3.3Å; M50-A54 PolarHBondContact O-N 3.28Å; M50-Y99 WeakPolarHBondContact CG-OH 3.27Å; M50-Y99 PolarHBondContact N-OH 3.28Å
51	E	98.1	Very high	98	Very high	146 Å²	146	49.2 Å²	49.2	68%	0.682	29%	0.289	S	S	*	.	H	α-helix	trans	-62.6	-42.5	176.9	-175.9	174.6	-173.2	0	0	111	P47 I53 A54 A55	P47-E51 WeakPolarHBondContact O-CB 2.95Å; P47-E51 PolarHBondContact O-N 3.43Å; E51-I53 PolarHBondContact O-N 3.25Å; E51-A54 PolarHBondContact O-N 2.75Å; E51-A55 VanDerWaalsContact O-CB 3.3Å; E51-A55 WeakPolarHBondContact O-CB 3.48Å; E51-A55 PolarHBondContact O-N 2.9Å
52	F	98.3	Very high	98	Very high	30 Å²	30	45.7 Å²	45.7	13%	0.132	27%	0.268	C	S	.	.	H	α-helix	trans	-58.4	-47.2	176.5	-179.7	-96.2	0	0	0	112.5	T41 L43 A48 A49 M50 A55 A59 I61 S86 F87	T41-F52 HydrophobicContact CG2-CD2 4.29Å; T41-F52 HydrophobicContact CG2-CE2 4.33Å; L43-F52 HydrophobicContact CD1-CD1 4.04Å; L43-F52 HydrophobicContact CD1-CG 4.34Å; L43-F52 HydrophobicContact CD2-CB 3.65Å; L43-F52 HydrophobicContact CD2-CD1 4.24Å; L43-F52 HydrophobicContact CD2-CD2 4Å; L43-F52 HydrophobicContact CD2-CG 3.71Å; A48-F52 WeakPolarHBondContact O-CB 3.4Å; A48-F52 PolarHBondContact O-N 3.34Å; A49-F52 PolarHBondContact O-N 2.59Å; M50-F52 VanDerWaalsContact C-N 3.33Å; F52-A55 PolarHBondContact O-N 3.22Å; F52-A59 HydrophobicContact CD1-CB 4.22Å; F52-A59 HydrophobicContact CE1-CB 3.87Å; F52-I61 HydrophobicContact CD1-CD1 4.09Å; F52-I61 HydrophobicContact CD1-CG1 4.3Å; F52-I61 HydrophobicContact CE1-CD1 4.4Å; F52-I61 HydrophobicContact CE1-CG1 4.12Å; F52-S86 VanDerWaalsContact CZ-CB 3.5Å; F52-F87 WeakPolarHBondContact CZ-O 3.39Å
53	I	98.1	Very high	97.9	Very high	34 Å²	34	40.2 Å²	40.2	17%	0.174	25%	0.247	C	C	.	.	H	α-helix	trans	-66	-43.2	177.9	-67	164.9	0	0	0	110.9	A49 M50 E51 A55 T56 A59 I61 Y99 F109	A49-I53 WeakPolarHBondContact O-CG1 3.46Å; A49-I53 PolarHBondContact O-N 3.04Å; M50-I53 PolarHBondContact O-N 3.09Å; E51-I53 PolarHBondContact O-N 3.25Å; I53-A55 VanDerWaalsContact C-N 3.25Å; I53-A55 PolarHBondContact O-N 3.32Å; I53-T56 PolarHBondContact O-N 2.97Å; I53-A59 HydrophobicContact CG1-CB 4.27Å; I53-I61 HydrophobicContact CD1-CD1 3.77Å; I53-I61 HydrophobicContact CG1-CD1 3.69Å; I53-Y99 HydrophobicContact CD1-CE1 3.68Å; I53-Y99 HydrophobicContact CD1-CE2 4.41Å; I53-Y99 VanDerWaalsContact CD1-OH 3.32Å; I53-Y99 WeakPolarHBondContact CD1-OH 3.34Å; I53-F109 HydrophobicContact CD1-CB 4.45Å; I53-F109 HydrophobicContact CD1-CD1 3.72Å; I53-F109 HydrophobicContact CD1-CD2 3.88Å; I53-F109 HydrophobicContact CD1-CE1 3.79Å; I53-F109 HydrophobicContact CD1-CE2 3.98Å; I53-F109 HydrophobicContact CD1-CG 3.75Å; I53-F109 HydrophobicContact CD1-CZ 3.93Å; I53-F109 HydrophobicContact CG1-CB 4.29Å; I53-F109 HydrophobicContact CG1-CD1 4.44Å; I53-F109 HydrophobicContact CG1-CD2 4.13Å; I53-F109 HydrophobicContact CG1-CG 4.03Å; I53-F109 HydrophobicContact CG2-CB 3.79Å; I53-F109 HydrophobicContact CG2-CD1 4.38Å; I53-F109 HydrophobicContact CG2-CG 4.19Å
54	A	96.4	Very high	97.8	Very high	73 Å²	73	40 Å²	40	60%	0.603	25%	0.246	S	C	*	.	H	α-helix	trans	-69.6	-20.4	-177.8	0	0	0	0	0	113.9	M50 E51 T56	M50-A54 WeakPolarHBondContact O-CB 3.3Å; M50-A54 PolarHBondContact O-N 3.28Å; E51-A54 PolarHBondContact O-N 2.75Å; A54-T56 VanDerWaalsContact C-N 3.32Å
55	A	96.4	Very high	97.5	Very high	88 Å²	88	43.4 Å²	43.4	73%	0.727	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81	-8.1	-178.6	0	0	0	0	0	114.2	E51 F52 I53	E51-A55 VanDerWaalsContact O-CB 3.3Å; E51-A55 WeakPolarHBondContact O-CB 3.48Å; E51-A55 PolarHBondContact O-N 2.9Å; F52-A55 PolarHBondContact O-N 3.22Å; I53-A55 VanDerWaalsContact C-N 3.25Å; I53-A55 PolarHBondContact O-N 3.32Å
56	T	96.4	Very high	97.1	Very high	23 Å²	23	43.4 Å²	43.4	14%	0.141	25%	0.251	C	S	.	.	S	Bend	trans	-134.1	161.4	-175.9	-177	0	0	0	0	111.5	I53 A54 V58 A59 S86	I53-T56 PolarHBondContact O-N 2.97Å; A54-T56 VanDerWaalsContact C-N 3.32Å; T56-V58 VanDerWaalsContact CG2-O 3.24Å; T56-V58 WeakPolarHBondContact CG2-O 3.25Å; T56-V58 PolarHBondContact OG1-N 3.48Å; T56-V58 PolarHBondContact OG1-O 2.99Å; T56-A59 HydrophobicContact CG2-CB 3.68Å; T56-S86 PolarHBondContact OG1-OG 3.33Å
57	E	97.3	Very high	96.9	Very high	63 Å²	63	45.2 Å²	45.2	29%	0.294	26%	0.259	S	S	.	.	S	Bend	trans	-78.1	-33.1	171	-63.5	-171.1	177.6	0	0	112.1	R110 L111 H142 M143	E57-R110 CarbonylContact O-C 3.52Å; E57-R110 VanDerWaalsContact O-CA 3.24Å; E57-R110 WeakPolarHBondContact O-CA 3.29Å; E57-L111 PolarHBondContact O-N 2.79Å; E57-H142 WeakPolarHBondContact OE2-CA 3.18Å; E57-H142 WeakPolarHBondContact OE2-CB 3.39Å; E57-H142 IonicContact OE2-CG 3.76Å; E57-H142 IonicContact OE2-ND1 3.56Å; E57-H142 PolarHBondContact OE2-ND1 3.22Å; E57-M143 VanDerWaalsContact CD-CG 3.45Å; E57-M143 HydrophobicContact CG-CG 4.21Å; E57-M143 WeakPolarHBondContact OE1-CB 3.28Å; E57-M143 WeakPolarHBondContact OE1-CG 3.38Å; E57-M143 PolarHBondContact OE2-N 2.87Å
58	V	98.4	Very high	96.5	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.1	177.8	-175	0	0	0	0	109.6	T56 V85 S86 L108 F109 R110 L141	T56-V58 VanDerWaalsContact CG2-O 3.24Å; T56-V58 WeakPolarHBondContact CG2-O 3.25Å; T56-V58 PolarHBondContact OG1-N 3.48Å; T56-V58 PolarHBondContact OG1-O 2.99Å; V58-V85 HydrophobicContact CB-CG2 4.39Å; V58-V85 HydrophobicContact CG1-CG1 4.1Å; V58-V85 HydrophobicContact CG1-CG2 4.16Å; V58-S86 PolarHBondContact O-N 3.42Å; V58-S86 VanDerWaalsContact O-N 3.13Å; V58-L108 HydrophobicContact CG1-CD1 4.03Å; V58-L108 HydrophobicContact CG1-CD2 4.16Å; V58-L108 HydrophobicContact CG1-CG 3.97Å; V58-F109 WeakPolarHBondContact CA-O 3.45Å; V58-R110 HydrophobicContact CG2-CB 4.31Å; V58-L141 WeakPolarHBondContact CG2-O 3.32Å
59	A	98.6	Very high	96.1	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.008	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	137.6	173.3	0	0	0	0	0	109.9	F52 I53 T56 S86 L108 F109	F52-A59 HydrophobicContact CD1-CB 4.22Å; F52-A59 HydrophobicContact CE1-CB 3.87Å; I53-A59 HydrophobicContact CG1-CB 4.27Å; T56-A59 HydrophobicContact CG2-CB 3.68Å; A59-S86 CarbonylContact C-O 3.59Å; A59-S86 VanDerWaalsContact CA-O 3.28Å; A59-S86 WeakPolarHBondContact CA-O 3.36Å; A59-L108 CarbonylContact O-C 3.5Å; A59-L108 WeakPolarHBondContact O-CA 3.45Å; A59-F109 HydrophobicContact CB-CB 4.34Å; A59-F109 PolarHBondContact N-O 3.48Å; A59-F109 PolarHBondContact O-N 3.13Å
60	V	98.6	Very high	95.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	121.4	169.9	178.8	0	0	0	0	108.2	L75 V85 S86 F87 G88 I106 C107 L108 I136	V60-L75 HydrophobicContact CG1-CD1 3.73Å; V60-V85 HydrophobicContact CB-CG1 4.26Å; V60-V85 HydrophobicContact CG2-CG1 3.61Å; V60-S86 PolarHBondContact N-O 2.91Å; V60-F87 HydrophobicContact CB-CD1 3.85Å; V60-F87 HydrophobicContact CB-CE1 3.81Å; V60-F87 HydrophobicContact CG1-CD1 4.14Å; V60-F87 HydrophobicContact CG1-CE1 4.05Å; V60-F87 HydrophobicContact CG2-CE1 4.22Å; V60-F87 CarbonylContact O-C 3.55Å; V60-F87 VanDerWaalsContact O-CA 3.31Å; V60-F87 WeakPolarHBondContact O-CA 3.33Å; V60-G88 PolarHBondContact O-N 3.44Å; V60-I106 HydrophobicContact CG1-CG2 3.68Å; V60-C107 CarbonylContact C-O 3.57Å; V60-C107 VanDerWaalsContact CA-O 3.3Å; V60-C107 WeakPolarHBondContact CA-O 3.49Å; V60-L108 HydrophobicContact CG2-CB 4.32Å; V60-L108 HydrophobicContact CG2-CD1 4.01Å; V60-L108 HydrophobicContact CG2-CG 4.16Å; V60-I136 HydrophobicContact CG2-CD1 4.38Å; V60-I136 HydrophobicContact CG2-CG1 4.1Å
61	I	98.6	Very high	95.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	126	-178.2	-56	174.7	0	0	0	109.5	L43 F52 I53 F63 G88 C107 F109	L43-I61 HydrophobicContact CD1-CD1 3.59Å; L43-I61 HydrophobicContact CD1-CG1 3.97Å; L43-I61 HydrophobicContact CD1-CG2 3.9Å; F52-I61 HydrophobicContact CD1-CD1 4.09Å; F52-I61 HydrophobicContact CD1-CG1 4.3Å; F52-I61 HydrophobicContact CE1-CD1 4.4Å; F52-I61 HydrophobicContact CE1-CG1 4.12Å; I53-I61 HydrophobicContact CD1-CD1 3.77Å; I53-I61 HydrophobicContact CG1-CD1 3.69Å; I61-F63 HydrophobicContact CB-CE1 4.46Å; I61-F63 HydrophobicContact CB-CE2 3.98Å; I61-F63 HydrophobicContact CB-CZ 3.92Å; I61-F63 HydrophobicContact CD1-CZ 4.25Å; I61-F63 HydrophobicContact CG2-CD1 4.01Å; I61-F63 HydrophobicContact CG2-CD2 4.22Å; I61-F63 HydrophobicContact CG2-CE1 3.6Å; I61-F63 HydrophobicContact CG2-CE2 3.89Å; I61-F63 HydrophobicContact CG2-CG 4.3Å; I61-F63 HydrophobicContact CG2-CZ 3.56Å; I61-G88 VanDerWaalsContact CA-O 3.31Å; I61-G88 WeakPolarHBondContact CA-O 3.38Å; I61-C107 PolarHBondContact N-O 3.16Å; I61-C107 PolarHBondContact O-N 3.18Å; I61-F109 HydrophobicContact CB-CE2 4.13Å; I61-F109 HydrophobicContact CD1-CD2 3.99Å; I61-F109 HydrophobicContact CD1-CE2 3.74Å; I61-F109 HydrophobicContact CG1-CD2 4.24Å; I61-F109 HydrophobicContact CG1-CE2 4.11Å
62	G	97.9	Very high	95.3	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	113.7	165.2	0	0	0	0	0	110.3	G88 I89 S90	G62-G88 PolarHBondContact N-O 3.09Å; G62-I89 VanDerWaalsContact O-CA 3.31Å; G62-I89 WeakPolarHBondContact O-CA 3.14Å; G62-S90 PolarHBondContact O-N 2.93Å
63	F	97.5	Very high	95.2	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	108.9	170.4	-61.9	-73.8	0	0	0	108.3	I61 S90 V95 L96 Y99 I101 N104 T105 C107 F109	I61-F63 HydrophobicContact CB-CE1 4.46Å; I61-F63 HydrophobicContact CB-CE2 3.98Å; I61-F63 HydrophobicContact CB-CZ 3.92Å; I61-F63 HydrophobicContact CD1-CZ 4.25Å; I61-F63 HydrophobicContact CG2-CD1 4.01Å; I61-F63 HydrophobicContact CG2-CD2 4.22Å; I61-F63 HydrophobicContact CG2-CE1 3.6Å; I61-F63 HydrophobicContact CG2-CE2 3.89Å; I61-F63 HydrophobicContact CG2-CG 4.3Å; I61-F63 HydrophobicContact CG2-CZ 3.56Å; F63-S90 WeakPolarHBondContact CA-O 3.05Å; F63-V95 HydrophobicContact CD1-CG1 4.09Å; F63-V95 HydrophobicContact CE1-CG1 3.58Å; F63-L96 HydrophobicContact CB-CD1 4.18Å; F63-L96 HydrophobicContact CB-CG 4.04Å; F63-L96 HydrophobicContact CD1-CD1 4.14Å; F63-L96 HydrophobicContact CD1-CG 4.4Å; F63-Y99 AromaticContact CE1-CD2 3.87Å; F63-Y99 HydrophobicContact CE1-CD2 3.87Å; F63-Y99 AromaticContact CZ-CD2 3.67Å; F63-Y99 HydrophobicContact CZ-CD2 3.67Å; F63-Y99 HydrophobicContact CZ-CE2 4.35Å; F63-Y99 HydrophobicContact CZ-CG 4Å; F63-I101 HydrophobicContact CB-CG1 4.41Å; F63-I101 HydrophobicContact CB-CG2 3.91Å; F63-I101 HydrophobicContact CD2-CD1 4.29Å; F63-I101 HydrophobicContact CD2-CG1 3.78Å; F63-I101 HydrophobicContact CE2-CG1 4.16Å; F63-I101 HydrophobicContact CG-CG1 4.06Å; F63-I101 HydrophobicContact CG-CG2 4.46Å; F63-N104 CarbonylContact O-C 3.5Å; F63-N104 WeakPolarHBondContact O-CA 3.33Å; F63-T105 PolarHBondContact N-O 3.28Å; F63-T105 PolarHBondContact O-N 3.17Å; F63-C107 HydrophobicContact CD2-CB 4.18Å; F63-C107 HydrophobicContact CE2-CB 3.75Å; F63-C107 VanDerWaalsContact CE2-SG 3.6Å; F63-F109 AromaticContact CE2-CE2 3.89Å; F63-F109 HydrophobicContact CE2-CE2 3.89Å; F63-F109 AromaticContact CE2-CZ 3.91Å; F63-F109 HydrophobicContact CE2-CZ 3.91Å; F63-F109 HydrophobicContact CZ-CE2 4.01Å; F63-F109 AromaticContact CZ-CZ 3.93Å; F63-F109 HydrophobicContact CZ-CZ 3.93Å
64	F	94.8	Very high	95	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	27%	0.268	C	S	.	.			trans	-126.6	128.9	-172.2	-59.7	-54	0	0	0	111.3	L67 I69 A71 V72 L75 I89 S90 T91 N104 I106	F64-L67 HydrophobicContact CB-CD2 3.96Å; F64-L67 HydrophobicContact CD2-CD2 4.3Å; F64-I69 HydrophobicContact CD1-CD1 3.77Å; F64-I69 HydrophobicContact CE1-CD1 4.04Å; F64-A71 HydrophobicContact CE1-CB 4.06Å; F64-A71 HydrophobicContact CZ-CB 4.31Å; F64-V72 HydrophobicContact CB-CG2 4.46Å; F64-V72 HydrophobicContact CD1-CG2 4.23Å; F64-V72 HydrophobicContact CD2-CB 4.47Å; F64-V72 HydrophobicContact CD2-CG2 3.54Å; F64-V72 HydrophobicContact CE1-CG2 4.36Å; F64-V72 HydrophobicContact CE2-CB 4.26Å; F64-V72 HydrophobicContact CE2-CG2 3.68Å; F64-V72 HydrophobicContact CG-CG2 3.83Å; F64-V72 HydrophobicContact CZ-CG2 4.1Å; F64-L75 HydrophobicContact CE2-CD2 3.82Å; F64-L75 HydrophobicContact CZ-CD2 4.12Å; F64-I89 HydrophobicContact CD2-CG2 3.9Å; F64-I89 HydrophobicContact CE2-CD1 4.49Å; F64-I89 HydrophobicContact CE2-CG1 4.36Å; F64-I89 HydrophobicContact CE2-CG2 4.48Å; F64-S90 PolarHBondContact N-O 3.31Å; F64-T91 WeakPolarHBondContact O-CA 3.33Å; F64-T91 VanDerWaalsContact O-CB 3.28Å; F64-T91 WeakPolarHBondContact O-CB 3.39Å; F64-T91 VanDerWaalsContact O-CG2 3.24Å; F64-T91 WeakPolarHBondContact O-CG2 3.3Å; F64-N104 WeakPolarHBondContact CA-OD1 3.31Å; F64-N104 HydrophobicContact CD1-CB 4.17Å; F64-I106 HydrophobicContact CE1-CG1 4.16Å; F64-I106 HydrophobicContact CZ-CD1 4.31Å; F64-I106 HydrophobicContact CZ-CG1 3.92Å
65	Q	92.1	Very high	95	Very high	133 Å²	133	42.3 Å²	42.3	62%	0.621	24%	0.239	S	C	*	.	S	Bend	trans	-85.3	-27.3	167	-64.4	172.7	-12.5	0	0	111.1	L96 T102 N104	Q65-L96 HydrophobicContact CG-CD2 3.87Å; Q65-T102 PolarHBondContact NE2-O 3.23Å; Q65-N104 PolarHBondContact N-OD1 2.96Å
66	D	89.8	Confident	95	Very high	77 Å²	77	41.8 Å²	41.8	41%	0.412	22%	0.219	S	C	.	.			trans	-125.7	127.5	175.8	-176.1	4.1	0	0	0	110.1	E68 I69 N104	D66-E68 PolarHBondContact OD1-N 2.87Å; D66-I69 HydrophobicContact CB-CG2 4.07Å; D66-I69 WeakPolarHBondContact O-CG1 3.46Å; D66-N104 PolarHBondContact N-OD1 3.14Å
67	L	93.3	Very high	94.9	Very high	68 Å²	68	43.6 Å²	43.6	36%	0.356	23%	0.232	S	C	.	.	S	Bend	trans	-92.4	-10.6	-179.2	-64.9	178.6	0	0	0	113.6	W42 F64 I69 V72 I89 T91	W42-L67 HydrophobicContact CH2-CD1 3.79Å; W42-L67 HydrophobicContact CH2-CD2 3.9Å; W42-L67 HydrophobicContact CH2-CG 4.5Å; W42-L67 HydrophobicContact CZ2-CD1 4.34Å; F64-L67 HydrophobicContact CB-CD2 3.96Å; F64-L67 HydrophobicContact CD2-CD2 4.3Å; L67-I69 PolarHBondContact O-N 2.82Å; L67-V72 HydrophobicContact CD2-CG1 4.41Å; L67-V72 HydrophobicContact CD2-CG2 4.18Å; L67-V72 WeakPolarHBondContact O-CG2 3.33Å; L67-I89 HydrophobicContact CD2-CG2 4.42Å; L67-T91 HydrophobicContact CD1-CG2 4.08Å; L67-T91 HydrophobicContact CD2-CG2 3.65Å; L67-T91 HydrophobicContact CG-CG2 3.96Å
68	E	91.3	Very high	94.9	Very high	175 Å²	175	41 Å²	41	82%	0.818	22%	0.22	S	C	*	.	S	Bend	trans	-85.4	3.8	-179.3	-60.1	-62.9	143.6	0	0	112.4	D66	D66-E68 PolarHBondContact OD1-N 2.87Å
69	I	90.6	Very high	94.7	Very high	38 Å²	38	41.4 Å²	41.4	20%	0.195	22%	0.223	C	C	.	.	S	Bend	trans	-79.9	149.1	177.9	68.1	176.6	0	0	0	111.9	F64 D66 L67 A71 V72 N104	F64-I69 HydrophobicContact CD1-CD1 3.77Å; F64-I69 HydrophobicContact CE1-CD1 4.04Å; D66-I69 HydrophobicContact CB-CG2 4.07Å; D66-I69 WeakPolarHBondContact O-CG1 3.46Å; L67-I69 PolarHBondContact O-N 2.82Å; I69-A71 HydrophobicContact CD1-CB 3.96Å; I69-A71 HydrophobicContact CG1-CB 4.13Å; I69-A71 PolarHBondContact O-N 2.89Å; I69-A71 VanDerWaalsContact O-N 3.12Å; I69-V72 HydrophobicContact CD1-CG2 4.46Å; I69-V72 HydrophobicContact CG1-CG2 3.72Å; I69-V72 PolarHBondContact O-N 3.39Å; I69-N104 HydrophobicContact CD1-CB 3.84Å
70	P	91.4	Very high	94.4	Very high	100 Å²	100	48 Å²	48	65%	0.649	25%	0.253	S	S	*	.	H	α-helix	trans	-55.4	-33.8	179.8	-27.4	35.2	0	0	0	114.4	V72 S73 I74	P70-V72 PolarHBondContact O-N 3.41Å; P70-S73 PolarHBondContact O-N 3.41Å; P70-I74 HydrophobicContact CB-CD1 4.4Å; P70-I74 WeakPolarHBondContact O-CG1 3.37Å; P70-I74 PolarHBondContact O-N 2.95Å; P70-I74 VanDerWaalsContact O-N 3.09Å
71	A	92.4	Very high	94.2	Very high	4 Å²	4	53.5 Å²	53.5	3%	0.033	28%	0.277	C	S	.	.	H	α-helix	trans	-56.8	-33.2	-178.6	0	0	0	0	0	113.1	F64 I69 I74 L75 I127	F64-A71 HydrophobicContact CE1-CB 4.06Å; F64-A71 HydrophobicContact CZ-CB 4.31Å; I69-A71 HydrophobicContact CD1-CB 3.96Å; I69-A71 HydrophobicContact CG1-CB 4.13Å; I69-A71 PolarHBondContact O-N 2.89Å; I69-A71 VanDerWaalsContact O-N 3.12Å; A71-I74 PolarHBondContact O-N 3.37Å; A71-L75 WeakPolarHBondContact O-CB 3.41Å; A71-L75 PolarHBondContact O-N 3.15Å; A71-I127 HydrophobicContact CB-CG2 3.78Å
72	V	94.3	Very high	94.1	Very high	8 Å²	8	54.7 Å²	54.7	5%	0.048	28%	0.283	C	S	.	.	H	α-helix	trans	-65.3	-47.3	179.4	178.7	0	0	0	0	110.8	F64 L67 I69 P70 I74 L75 R76 I89	F64-V72 HydrophobicContact CB-CG2 4.46Å; F64-V72 HydrophobicContact CD1-CG2 4.23Å; F64-V72 HydrophobicContact CD2-CB 4.47Å; F64-V72 HydrophobicContact CD2-CG2 3.54Å; F64-V72 HydrophobicContact CE1-CG2 4.36Å; F64-V72 HydrophobicContact CE2-CB 4.26Å; F64-V72 HydrophobicContact CE2-CG2 3.68Å; F64-V72 HydrophobicContact CG-CG2 3.83Å; F64-V72 HydrophobicContact CZ-CG2 4.1Å; L67-V72 HydrophobicContact CD2-CG1 4.41Å; L67-V72 HydrophobicContact CD2-CG2 4.18Å; L67-V72 WeakPolarHBondContact O-CG2 3.33Å; I69-V72 HydrophobicContact CD1-CG2 4.46Å; I69-V72 HydrophobicContact CG1-CG2 3.72Å; I69-V72 PolarHBondContact O-N 3.39Å; P70-V72 PolarHBondContact O-N 3.41Å; V72-I74 VanDerWaalsContact C-N 3.32Å; V72-I74 PolarHBondContact O-N 2.64Å; V72-L75 PolarHBondContact O-N 2.96Å; V72-R76 WeakPolarHBondContact O-CG 3.42Å; V72-R76 PolarHBondContact O-N 3.41Å; V72-R76 VanDerWaalsContact O-N 3.1Å; V72-I89 HydrophobicContact CG1-CD1 4.38Å
73	S	94.3	Very high	93.8	Very high	85 Å²	85	59.5 Å²	59.5	59%	0.594	31%	0.314	S	S	*	.	H	α-helix	trans	-65.7	-37.9	177.5	-175.4	0	0	0	0	111.6	P70 R76 S77	P70-S73 PolarHBondContact O-N 3.41Å; S73-R76 PolarHBondContact O-N 2.85Å; S73-S77 PolarHBondContact O-N 3Å; S73-S77 VanDerWaalsContact O-N 3.12Å
74	I	95.2	Very high	93.6	Very high	25 Å²	25	65.7 Å²	65.7	13%	0.128	35%	0.347	C	S	.	.	H	α-helix	trans	-64.9	-45.3	178.2	-68.4	162.7	0	0	0	110.2	P70 A71 V72 R76 S77 M78 I127 A129 L132	P70-I74 HydrophobicContact CB-CD1 4.4Å; P70-I74 WeakPolarHBondContact O-CG1 3.37Å; P70-I74 PolarHBondContact O-N 2.95Å; P70-I74 VanDerWaalsContact O-N 3.09Å; A71-I74 PolarHBondContact O-N 3.37Å; V72-I74 VanDerWaalsContact C-N 3.32Å; V72-I74 PolarHBondContact O-N 2.64Å; I74-R76 PolarHBondContact O-N 3.41Å; I74-S77 WeakPolarHBondContact O-CB 3.46Å; I74-S77 PolarHBondContact O-N 3.19Å; I74-S77 VanDerWaalsContact O-N 3.14Å; I74-S77 PolarHBondContact O-OG 3.09Å; I74-M78 HydrophobicContact CG2-CE 4.46Å; I74-M78 PolarHBondContact O-N 3.23Å; I74-I127 HydrophobicContact CD1-CG2 3.96Å; I74-I127 WeakPolarHBondContact CD1-O 3.36Å; I74-A129 HydrophobicContact CG2-CB 4.44Å; I74-L132 HydrophobicContact CG2-CB 4.16Å; I74-L132 HydrophobicContact CG2-CD2 3.81Å
75	L	96.3	Very high	93.8	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-59.2	-46.3	176.1	-177.8	68.3	0	0	0	112	V60 F64 A71 V72 S77 M78 F87 I89 I106 L132	V60-L75 HydrophobicContact CG1-CD1 3.73Å; F64-L75 HydrophobicContact CE2-CD2 3.82Å; F64-L75 HydrophobicContact CZ-CD2 4.12Å; A71-L75 WeakPolarHBondContact O-CB 3.41Å; A71-L75 PolarHBondContact O-N 3.15Å; V72-L75 PolarHBondContact O-N 2.96Å; L75-S77 PolarHBondContact O-N 3.32Å; L75-M78 WeakPolarHBondContact O-CB 3.17Å; L75-M78 PolarHBondContact O-N 3.47Å; L75-F87 HydrophobicContact CD1-CD1 3.88Å; L75-F87 HydrophobicContact CD1-CE1 4.22Å; L75-I89 HydrophobicContact CD2-CD1 4.19Å; L75-I89 HydrophobicContact CD2-CG1 3.74Å; L75-I106 HydrophobicContact CB-CD1 4.46Å; L75-I106 HydrophobicContact CD1-CD1 4.48Å; L75-I106 HydrophobicContact CD1-CG2 4.22Å; L75-L132 HydrophobicContact CB-CD2 4.4Å; L75-L132 HydrophobicContact CD1-CD2 4.15Å
76	R	95.9	Very high	94	Very high	78 Å²	78	61.9 Å²	61.9	29%	0.294	33%	0.334	S	S	.	.	H	α-helix	trans	-58	-35.8	176.4	-70.1	179.6	-171.5	-77.7	-2	112.2	E39 P40 V72 S73 I74 M78 V79 I89	E39-R76 WeakPolarHBondContact OE2-CD 3.41Å; E39-R76 IonicContact OE2-CZ 2.93Å; E39-R76 IonicContact OE2-NE 3.88Å; E39-R76 IonicContact OE2-NH1 3.78Å; E39-R76 PolarHBondContact OE2-NH1 3.15Å; P40-R76 HydrophobicContact CG-CG 3.9Å; V72-R76 WeakPolarHBondContact O-CG 3.42Å; V72-R76 PolarHBondContact O-N 3.41Å; V72-R76 VanDerWaalsContact O-N 3.1Å; S73-R76 PolarHBondContact O-N 2.85Å; I74-R76 PolarHBondContact O-N 3.41Å; R76-M78 PolarHBondContact O-N 3.37Å; R76-V79 WeakPolarHBondContact O-CG2 3.34Å; R76-V79 PolarHBondContact O-N 3.31Å; R76-I89 HydrophobicContact CG-CD1 4.44Å
77	S	94.6	Very high	94.5	Very high	61 Å²	61	58.7 Å²	58.7	43%	0.427	32%	0.317	S	S	.	.	H	α-helix	trans	-68.3	-19.5	177.5	77.5	0	0	0	0	114	S73 I74 L75	S73-S77 PolarHBondContact O-N 3Å; S73-S77 VanDerWaalsContact O-N 3.12Å; I74-S77 WeakPolarHBondContact O-CB 3.46Å; I74-S77 PolarHBondContact O-N 3.19Å; I74-S77 VanDerWaalsContact O-N 3.14Å; I74-S77 PolarHBondContact O-OG 3.09Å; L75-S77 PolarHBondContact O-N 3.32Å
78	M	96.9	Very high	94.7	Very high	7 Å²	7	55.4 Å²	55.4	3%	0.034	30%	0.3	C	S	.	.	H	α-helix	trans	-76	-23.5	179.4	-62.3	-61	108.8	0	0	113.2	I74 L75 R76 Q80 K81 F82 F87 A129 L132 I136	I74-M78 HydrophobicContact CG2-CE 4.46Å; I74-M78 PolarHBondContact O-N 3.23Å; L75-M78 WeakPolarHBondContact O-CB 3.17Å; L75-M78 PolarHBondContact O-N 3.47Å; R76-M78 PolarHBondContact O-N 3.37Å; M78-Q80 VanDerWaalsContact C-N 3.25Å; M78-Q80 PolarHBondContact O-N 3Å; M78-K81 PolarHBondContact O-N 3.27Å; M78-F82 HydrophobicContact CB-CD2 4.2Å; M78-F82 HydrophobicContact CB-CE2 4.49Å; M78-F82 WeakPolarHBondContact O-CD2 3.38Å; M78-F82 PolarHBondContact O-N 2.72Å; M78-F82 HydrophobicContact SD-CE2 3.95Å; M78-F87 HydrophobicContact CB-CD1 4.38Å; M78-F87 HydrophobicContact CB-CE1 3.53Å; M78-F87 HydrophobicContact CB-CZ 3.7Å; M78-A129 HydrophobicContact CE-CB 3.73Å; M78-L132 HydrophobicContact CG-CD2 3.49Å; M78-L132 VanDerWaalsContact CG-CD2 3.49Å; M78-L132 HydrophobicContact CG-CG 3.86Å; M78-L132 HydrophobicContact SD-CB 4.42Å; M78-L132 HydrophobicContact SD-CD2 4.33Å; M78-L132 HydrophobicContact SD-CG 4.21Å; M78-I136 HydrophobicContact CB-CD1 4.08Å; M78-I136 HydrophobicContact CG-CD1 3.92Å; M78-I136 HydrophobicContact SD-CD1 4.34Å
79	V	95.3	Very high	95	Very high	10 Å²	10	47.1 Å²	47.1	6%	0.061	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-41.6	-173.3	-174.2	0	0	0	0	112	Q38 P40 R76 K81 F87	Q38-V79 HydrophobicContact CB-CG1 3.77Å; Q38-V79 HydrophobicContact CG-CG1 3.84Å; Q38-V79 WeakPolarHBondContact O-CB 3.47Å; Q38-V79 VanDerWaalsContact O-CG1 3.28Å; Q38-V79 WeakPolarHBondContact O-CG1 3.44Å; P40-V79 HydrophobicContact CG-CG2 3.77Å; R76-V79 WeakPolarHBondContact O-CG2 3.34Å; R76-V79 PolarHBondContact O-N 3.31Å; V79-K81 VanDerWaalsContact C-N 3.34Å; V79-F87 HydrophobicContact CB-CD2 4.24Å; V79-F87 HydrophobicContact CG1-CD2 4.29Å; V79-F87 HydrophobicContact CG2-CB 3.84Å; V79-F87 HydrophobicContact CG2-CD1 4.5Å; V79-F87 HydrophobicContact CG2-CD2 4.07Å; V79-F87 HydrophobicContact CG2-CG 3.88Å
80	Q	91.4	Very high	95.4	Very high	138 Å²	138	45.3 Å²	45.3	65%	0.645	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.4	-23.4	-179.6	-62.3	-179.2	14	0	0	113	M78	M78-Q80 VanDerWaalsContact C-N 3.25Å; M78-Q80 PolarHBondContact O-N 3Å
81	K	94.9	Very high	95.7	Very high	116 Å²	116	43.4 Å²	43.4	50%	0.504	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-27.6	-177.2	-174.1	170.5	178.6	177.7	0	112.2	M78 V79 P83 S133 E137	M78-K81 PolarHBondContact O-N 3.27Å; V79-K81 VanDerWaalsContact C-N 3.34Å; K81-P83 WeakPolarHBondContact O-CD 3.49Å; K81-S133 WeakPolarHBondContact CE-OG 3.31Å; K81-S133 PolarHBondContact NZ-OG 3.17Å; K81-E137 IonicContact NZ-OE1 3.96Å; K81-E137 PolarHBondContact NZ-OE1 2.98Å
82	F	95.6	Very high	96	Very high	26 Å²	26	45.6 Å²	45.6	11%	0.114	25%	0.25	C	C	.	.			trans	-125.3	77.3	-174.6	-60.4	-78.8	0	0	0	111.2	M78 D84 V85 F87 S133 I136 E137	M78-F82 HydrophobicContact CB-CD2 4.2Å; M78-F82 HydrophobicContact CB-CE2 4.49Å; M78-F82 WeakPolarHBondContact O-CD2 3.38Å; M78-F82 PolarHBondContact O-N 2.72Å; M78-F82 HydrophobicContact SD-CE2 3.95Å; F82-D84 PolarHBondContact O-N 3.41Å; F82-V85 HydrophobicContact CB-CB 3.85Å; F82-V85 HydrophobicContact CB-CG2 3.92Å; F82-V85 PolarHBondContact O-N 3.48Å; F82-V85 VanDerWaalsContact O-N 3.1Å; F82-F87 HydrophobicContact CB-CE2 3.9Å; F82-F87 HydrophobicContact CB-CZ 3.93Å; F82-F87 HydrophobicContact CD2-CZ 4.05Å; F82-F87 HydrophobicContact CG-CZ 4.38Å; F82-S133 WeakPolarHBondContact CZ-OG 3.28Å; F82-I136 HydrophobicContact CD1-CG2 3.78Å; F82-I136 HydrophobicContact CD2-CD1 4.07Å; F82-I136 HydrophobicContact CD2-CG2 4Å; F82-I136 HydrophobicContact CE1-CB 4.35Å; F82-I136 HydrophobicContact CE1-CG2 3.82Å; F82-I136 HydrophobicContact CE2-CB 4.14Å; F82-I136 HydrophobicContact CE2-CD1 3.93Å; F82-I136 HydrophobicContact CE2-CG2 4.03Å; F82-I136 HydrophobicContact CG-CG2 3.87Å; F82-I136 HydrophobicContact CZ-CB 4.03Å; F82-I136 HydrophobicContact CZ-CG2 3.94Å; F82-E137 HydrophobicContact CE1-CG 3.59Å; F82-E137 HydrophobicContact CZ-CG 3.78Å
83	P	93	Very high	96.1	Very high	101 Å²	101	48.8 Å²	48.8	66%	0.656	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-24.1	-176.5	26.6	-35.6	0	0	0	113.6	K81 V85	K81-P83 WeakPolarHBondContact O-CD 3.49Å; P83-V85 VanDerWaalsContact C-N 3.33Å
84	D	92.9	Very high	96.3	Very high	129 Å²	129	50.5 Å²	50.5	69%	0.69	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.3	4.7	179.3	-57	-46.9	0	0	0	113.2	F82	F82-D84 PolarHBondContact O-N 3.41Å
85	V	97.6	Very high	96.4	Very high	13 Å²	13	49.3 Å²	49.3	8%	0.079	26%	0.264	C	S	.	.	S	Bend	trans	-115.4	131.9	178	176.8	0	0	0	0	109.3	V58 V60 F82 P83 F87 I136	V58-V85 HydrophobicContact CB-CG2 4.39Å; V58-V85 HydrophobicContact CG1-CG1 4.1Å; V58-V85 HydrophobicContact CG1-CG2 4.16Å; V60-V85 HydrophobicContact CB-CG1 4.26Å; V60-V85 HydrophobicContact CG2-CG1 3.61Å; F82-V85 HydrophobicContact CB-CB 3.85Å; F82-V85 HydrophobicContact CB-CG2 3.92Å; F82-V85 PolarHBondContact O-N 3.48Å; F82-V85 VanDerWaalsContact O-N 3.1Å; P83-V85 VanDerWaalsContact C-N 3.33Å; V85-F87 HydrophobicContact CB-CE2 3.81Å; V85-F87 HydrophobicContact CB-CZ 4.17Å; V85-F87 HydrophobicContact CG1-CD2 4.31Å; V85-F87 HydrophobicContact CG1-CE1 4.44Å; V85-F87 HydrophobicContact CG1-CE2 3.76Å; V85-F87 HydrophobicContact CG1-CZ 3.83Å; V85-F87 VanDerWaalsContact O-CD2 3.29Å; V85-F87 WeakPolarHBondContact O-CD2 3.46Å; V85-F87 WeakPolarHBondContact O-CE2 3.44Å; V85-I136 HydrophobicContact CG2-CG2 4.27Å
86	S	98.1	Very high	96.5	Very high	41 Å²	41	49.6 Å²	49.6	29%	0.287	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	130.4	175.9	-61.6	0	0	0	0	110.5	F52 T56 V58 A59 V60	F52-S86 VanDerWaalsContact CZ-CB 3.5Å; T56-S86 PolarHBondContact OG1-OG 3.33Å; V58-S86 PolarHBondContact O-N 3.42Å; V58-S86 VanDerWaalsContact O-N 3.13Å; A59-S86 CarbonylContact C-O 3.59Å; A59-S86 VanDerWaalsContact CA-O 3.28Å; A59-S86 WeakPolarHBondContact CA-O 3.36Å; V60-S86 PolarHBondContact N-O 2.91Å
87	F	98.6	Very high	96.5	Very high	9 Å²	9	51.2 Å²	51.2	4%	0.039	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	132.9	179.6	-69.1	-93.2	0	0	0	112	P40 T41 F52 V60 L75 M78 V79 F82 V85 I136	P40-F87 CarbonylContact C-O 3.58Å; P40-F87 WeakPolarHBondContact CA-O 3.29Å; P40-F87 HydrophobicContact CB-CB 4.09Å; P40-F87 HydrophobicContact CG-CB 4.31Å; T41-F87 PolarHBondContact N-O 2.83Å; F52-F87 WeakPolarHBondContact CZ-O 3.39Å; V60-F87 HydrophobicContact CB-CD1 3.85Å; V60-F87 HydrophobicContact CB-CE1 3.81Å; V60-F87 HydrophobicContact CG1-CD1 4.14Å; V60-F87 HydrophobicContact CG1-CE1 4.05Å; V60-F87 HydrophobicContact CG2-CE1 4.22Å; V60-F87 CarbonylContact O-C 3.55Å; V60-F87 VanDerWaalsContact O-CA 3.31Å; V60-F87 WeakPolarHBondContact O-CA 3.33Å; L75-F87 HydrophobicContact CD1-CD1 3.88Å; L75-F87 HydrophobicContact CD1-CE1 4.22Å; M78-F87 HydrophobicContact CB-CD1 4.38Å; M78-F87 HydrophobicContact CB-CE1 3.53Å; M78-F87 HydrophobicContact CB-CZ 3.7Å; V79-F87 HydrophobicContact CB-CD2 4.24Å; V79-F87 HydrophobicContact CG1-CD2 4.29Å; V79-F87 HydrophobicContact CG2-CB 3.84Å; V79-F87 HydrophobicContact CG2-CD1 4.5Å; V79-F87 HydrophobicContact CG2-CD2 4.07Å; V79-F87 HydrophobicContact CG2-CG 3.88Å; F82-F87 HydrophobicContact CB-CE2 3.9Å; F82-F87 HydrophobicContact CB-CZ 3.93Å; F82-F87 HydrophobicContact CD2-CZ 4.05Å; F82-F87 HydrophobicContact CG-CZ 4.38Å; V85-F87 HydrophobicContact CB-CE2 3.81Å; V85-F87 HydrophobicContact CB-CZ 4.17Å; V85-F87 HydrophobicContact CG1-CD2 4.31Å; V85-F87 HydrophobicContact CG1-CE1 4.44Å; V85-F87 HydrophobicContact CG1-CE2 3.76Å; V85-F87 HydrophobicContact CG1-CZ 3.83Å; V85-F87 VanDerWaalsContact O-CD2 3.29Å; V85-F87 WeakPolarHBondContact O-CD2 3.46Å; V85-F87 WeakPolarHBondContact O-CE2 3.44Å; F87-I136 HydrophobicContact CE1-CD1 3.87Å; F87-I136 HydrophobicContact CZ-CD1 4.05Å
88	G	98.4	Very high	96.7	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	157.6	177.2	0	0	0	0	0	112.5	T41 V60 I61 G62	T41-G88 CarbonylContact O-C 3.57Å; T41-G88 VanDerWaalsContact O-CA 3.23Å; T41-G88 WeakPolarHBondContact O-CA 3.46Å; V60-G88 PolarHBondContact O-N 3.44Å; I61-G88 VanDerWaalsContact CA-O 3.31Å; I61-G88 WeakPolarHBondContact CA-O 3.38Å; G62-G88 PolarHBondContact N-O 3.09Å
89	I	98.5	Very high	96.7	Very high	0 Å²	0	53 Å²	53	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	138.7	166.8	-65.5	171.8	0	0	0	108.8	P40 T41 W42 L43 G62 F64 L67 V72 L75 R76	P40-I89 HydrophobicContact CB-CD1 3.97Å; P40-I89 HydrophobicContact CB-CG1 3.86Å; P40-I89 HydrophobicContact CG-CD1 3.96Å; P40-I89 HydrophobicContact CG-CG1 4.31Å; T41-I89 PolarHBondContact O-N 3.32Å; W42-I89 HydrophobicContact CE3-CB 3.75Å; W42-I89 HydrophobicContact CE3-CG2 3.86Å; W42-I89 HydrophobicContact CH2-CB 4.3Å; W42-I89 HydrophobicContact CH2-CG2 3.47Å; W42-I89 VanDerWaalsContact CH2-CG2 3.47Å; W42-I89 HydrophobicContact CZ2-CG2 4.41Å; W42-I89 HydrophobicContact CZ3-CB 3.48Å; W42-I89 VanDerWaalsContact CZ3-CB 3.48Å; W42-I89 HydrophobicContact CZ3-CD1 4.22Å; W42-I89 HydrophobicContact CZ3-CG1 4.44Å; W42-I89 HydrophobicContact CZ3-CG2 3.14Å; L43-I89 PolarHBondContact N-O 3.39Å; G62-I89 VanDerWaalsContact O-CA 3.31Å; G62-I89 WeakPolarHBondContact O-CA 3.14Å; F64-I89 HydrophobicContact CD2-CG2 3.9Å; F64-I89 HydrophobicContact CE2-CD1 4.49Å; F64-I89 HydrophobicContact CE2-CG1 4.36Å; F64-I89 HydrophobicContact CE2-CG2 4.48Å; L67-I89 HydrophobicContact CD2-CG2 4.42Å; V72-I89 HydrophobicContact CG1-CD1 4.38Å; L75-I89 HydrophobicContact CD2-CD1 4.19Å; L75-I89 HydrophobicContact CD2-CG1 3.74Å; R76-I89 HydrophobicContact CG-CD1 4.44Å
90	S	98.4	Very high	96.8	Very high	0 Å²	0	59.3 Å²	59.3	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	143.1	167.2	-165.1	0	0	0	0	111.2	L43 G62 F63 F64 D92	L43-S90 WeakPolarHBondContact O-CB 3.44Å; L43-S90 PolarHBondContact O-OG 3.39Å; G62-S90 PolarHBondContact O-N 2.93Å; F63-S90 WeakPolarHBondContact CA-O 3.05Å; F64-S90 PolarHBondContact N-O 3.31Å; S90-D92 PolarHBondContact OG-N 2.94Å
91	T	97.5	Very high	97	Very high	60 Å²	60	53.2 Å²	53.2	37%	0.368	29%	0.285	S	S	.	.			trans	-118.8	6.1	168.9	65.6	0	0	0	0	111.8	W42 F64 L67	W42-T91 HydrophobicContact CH2-CG2 3.7Å; W42-T91 HydrophobicContact CZ2-CG2 3.55Å; F64-T91 WeakPolarHBondContact O-CA 3.33Å; F64-T91 VanDerWaalsContact O-CB 3.28Å; F64-T91 WeakPolarHBondContact O-CB 3.39Å; F64-T91 VanDerWaalsContact O-CG2 3.24Å; F64-T91 WeakPolarHBondContact O-CG2 3.3Å; L67-T91 HydrophobicContact CD1-CG2 4.08Å; L67-T91 HydrophobicContact CD2-CG2 3.65Å; L67-T91 HydrophobicContact CG-CG2 3.96Å
92	D	98	Very high	96.8	Very high	51 Å²	51	54 Å²	54	27%	0.273	30%	0.299	S	S	.	.			trans	-80	126.4	-175.3	178.8	-93.9	0	0	0	110.6	S90 E94 V95 L96	S90-D92 PolarHBondContact OG-N 2.94Å; D92-E94 VanDerWaalsContact C-N 3.28Å; D92-E94 PolarHBondContact O-N 2.98Å; D92-E94 WeakPolarHBondContact OD1-CA 3.49Å; D92-E94 VanDerWaalsContact OD1-CB 3.29Å; D92-E94 WeakPolarHBondContact OD1-CB 3.32Å; D92-E94 PolarHBondContact OD1-N 3.02Å; D92-V95 HydrophobicContact CB-CB 4.12Å; D92-V95 HydrophobicContact CB-CG2 3.84Å; D92-V95 WeakPolarHBondContact O-CB 3.29Å; D92-V95 PolarHBondContact O-N 3.33Å; D92-V95 PolarHBondContact OD1-N 3.43Å; D92-L96 WeakPolarHBondContact O-CD1 3.33Å; D92-L96 PolarHBondContact O-N 3.19Å
93	S	96.8	Very high	96.6	Very high	74 Å²	74	53.7 Å²	53.7	52%	0.517	30%	0.304	S	S	.	.	H	α-helix	trans	-63.9	-32.7	-174.8	54.2	0	0	0	0	113.1	L96 I97	S93-L96 PolarHBondContact O-N 2.85Å; S93-I97 WeakPolarHBondContact O-CB 3.19Å; S93-I97 WeakPolarHBondContact O-CD1 3.28Å; S93-I97 WeakPolarHBondContact O-CG1 3.4Å; S93-I97 PolarHBondContact O-N 3.26Å
94	E	98	Very high	96.5	Very high	121 Å²	121	51.2 Å²	51.2	57%	0.565	29%	0.285	S	S	*	.	H	α-helix	trans	-70.9	-37.7	178.3	-60.7	-63.8	130	0	0	110.6	V46 D92 I97 H98	V46-E94 HydrophobicContact CG2-CB 4.36Å; D92-E94 VanDerWaalsContact C-N 3.28Å; D92-E94 PolarHBondContact O-N 2.98Å; D92-E94 WeakPolarHBondContact OD1-CA 3.49Å; D92-E94 VanDerWaalsContact OD1-CB 3.29Å; D92-E94 WeakPolarHBondContact OD1-CB 3.32Å; D92-E94 PolarHBondContact OD1-N 3.02Å; E94-I97 PolarHBondContact O-N 3.33Å; E94-H98 WeakPolarHBondContact O-CB 3.45Å; E94-H98 PolarHBondContact O-N 2.91Å
95	V	98.3	Very high	96.6	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-59.7	-48.6	170.8	177	0	0	0	0	111.2	D45 V46 A49 F63 D92 I97 H98 Y99	D45-V95 WeakPolarHBondContact O-CG2 3.3Å; V46-V95 HydrophobicContact CG2-CG2 4.1Å; A49-V95 HydrophobicContact CB-CG1 4.08Å; F63-V95 HydrophobicContact CD1-CG1 4.09Å; F63-V95 HydrophobicContact CE1-CG1 3.58Å; D92-V95 HydrophobicContact CB-CB 4.12Å; D92-V95 HydrophobicContact CB-CG2 3.84Å; D92-V95 WeakPolarHBondContact O-CB 3.29Å; D92-V95 PolarHBondContact O-N 3.33Å; D92-V95 PolarHBondContact OD1-N 3.43Å; V95-I97 PolarHBondContact O-N 2.82Å; V95-H98 WeakPolarHBondContact O-CB 3.42Å; V95-H98 PolarHBondContact O-N 3Å; V95-Y99 HydrophobicContact CG1-CD2 4.11Å; V95-Y99 HydrophobicContact CG1-CE2 4.19Å; V95-Y99 WeakPolarHBondContact O-CD2 3.35Å; V95-Y99 PolarHBondContact O-N 3.17Å
96	L	97.2	Very high	96.6	Very high	7 Å²	7	44.8 Å²	44.8	4%	0.037	25%	0.251	C	S	.	.	H	α-helix	trans	-58.6	-47.1	178.1	-87.4	75	0	0	0	111.5	F63 Q65 D92 S93 H98 Y99 N100 I101	F63-L96 HydrophobicContact CB-CD1 4.18Å; F63-L96 HydrophobicContact CB-CG 4.04Å; F63-L96 HydrophobicContact CD1-CD1 4.14Å; F63-L96 HydrophobicContact CD1-CG 4.4Å; Q65-L96 HydrophobicContact CG-CD2 3.87Å; D92-L96 WeakPolarHBondContact O-CD1 3.33Å; D92-L96 PolarHBondContact O-N 3.19Å; S93-L96 PolarHBondContact O-N 2.85Å; L96-H98 VanDerWaalsContact C-N 3.33Å; L96-H98 PolarHBondContact O-N 2.81Å; L96-Y99 PolarHBondContact O-N 2.81Å; L96-N100 PolarHBondContact O-N 3.08Å; L96-I101 HydrophobicContact CB-CB 4.24Å; L96-I101 HydrophobicContact CD2-CG2 4.3Å; L96-I101 HydrophobicContact CG-CB 4.26Å; L96-I101 HydrophobicContact CG-CG2 4.25Å; L96-I101 WeakPolarHBondContact O-CB 3.47Å; L96-I101 PolarHBondContact O-N 3.11Å
97	I	97.6	Very high	96.6	Very high	111 Å²	111	42.8 Å²	42.8	57%	0.569	24%	0.237	S	C	*	.	H	α-helix	trans	-61.1	-42	178.3	-70.2	164.2	0	0	0	111.2	S93 E94 V95 Y99 N100	S93-I97 WeakPolarHBondContact O-CB 3.19Å; S93-I97 WeakPolarHBondContact O-CD1 3.28Å; S93-I97 WeakPolarHBondContact O-CG1 3.4Å; S93-I97 PolarHBondContact O-N 3.26Å; E94-I97 PolarHBondContact O-N 3.33Å; V95-I97 PolarHBondContact O-N 2.82Å; I97-Y99 VanDerWaalsContact C-N 3.29Å; I97-Y99 PolarHBondContact O-N 2.83Å; I97-N100 PolarHBondContact O-N 2.74Å; I97-N100 VanDerWaalsContact O-N 3.1Å
98	H	98.2	Very high	96.6	Very high	85 Å²	85	42.4 Å²	42.4	39%	0.394	24%	0.235	S	C	.	.	H	α-helix	trans	-58.8	-39.2	-179.5	-175.1	87.4	0	0	0	112.8	V46 E94 V95 L96 N100	V46-H98 HydrophobicContact CG1-CB 4.25Å; V46-H98 WeakPolarHBondContact CG1-ND1 3.45Å; V46-H98 HydrophobicContact CG2-CB 3.82Å; E94-H98 WeakPolarHBondContact O-CB 3.45Å; E94-H98 PolarHBondContact O-N 2.91Å; V95-H98 WeakPolarHBondContact O-CB 3.42Å; V95-H98 PolarHBondContact O-N 3Å; L96-H98 VanDerWaalsContact C-N 3.33Å; L96-H98 PolarHBondContact O-N 2.81Å; H98-N100 VanDerWaalsContact C-N 3.34Å
99	Y	97.4	Very high	96.6	Very high	22 Å²	22	43 Å²	43	9%	0.086	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	17.4	178.5	-65.9	-71.7	0	0	0	113.7	A49 M50 I53 F63 V95 L96 I97 I101 F109 Q116	A49-Y99 HydrophobicContact CB-CE2 3.83Å; M50-Y99 WeakPolarHBondContact CG-OH 3.27Å; M50-Y99 PolarHBondContact N-OH 3.28Å; I53-Y99 HydrophobicContact CD1-CE1 3.68Å; I53-Y99 HydrophobicContact CD1-CE2 4.41Å; I53-Y99 VanDerWaalsContact CD1-OH 3.32Å; I53-Y99 WeakPolarHBondContact CD1-OH 3.34Å; F63-Y99 AromaticContact CE1-CD2 3.87Å; F63-Y99 HydrophobicContact CE1-CD2 3.87Å; F63-Y99 AromaticContact CZ-CD2 3.67Å; F63-Y99 HydrophobicContact CZ-CD2 3.67Å; F63-Y99 HydrophobicContact CZ-CE2 4.35Å; F63-Y99 HydrophobicContact CZ-CG 4Å; V95-Y99 HydrophobicContact CG1-CD2 4.11Å; V95-Y99 HydrophobicContact CG1-CE2 4.19Å; V95-Y99 WeakPolarHBondContact O-CD2 3.35Å; V95-Y99 PolarHBondContact O-N 3.17Å; L96-Y99 PolarHBondContact O-N 2.81Å; I97-Y99 VanDerWaalsContact C-N 3.29Å; I97-Y99 PolarHBondContact O-N 2.83Å; Y99-I101 VanDerWaalsContact C-N 3.28Å; Y99-I101 WeakPolarHBondContact O-CD1 3.44Å; Y99-I101 PolarHBondContact O-N 2.87Å; Y99-F109 AromaticContact CD1-CE1 3.52Å; Y99-F109 HydrophobicContact CD1-CE1 3.52Å; Y99-F109 AromaticContact CD1-CZ 3.68Å; Y99-F109 HydrophobicContact CD1-CZ 3.68Å; Y99-F109 AromaticContact CE1-CE1 3.72Å; Y99-F109 HydrophobicContact CE1-CE1 3.72Å; Y99-F109 HydrophobicContact CE1-CZ 4.04Å; Y99-F109 HydrophobicContact CG-CE1 4.34Å; Y99-F109 HydrophobicContact CG-CZ 4.04Å; Y99-Q116 PolarHBondContact O-NE2 3.14Å
100	N	96.6	Very high	96.6	Very high	141 Å²	141	43.4 Å²	43.4	75%	0.754	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.2	36	178.8	-66	94.9	0	0	0	114.1	L96 I97 H98	L96-N100 PolarHBondContact O-N 3.08Å; I97-N100 PolarHBondContact O-N 2.74Å; I97-N100 VanDerWaalsContact O-N 3.1Å; H98-N100 VanDerWaalsContact C-N 3.34Å
101	I	95.8	Very high	96.5	Very high	10 Å²	10	46 Å²	46	5%	0.051	25%	0.253	C	S	.	.			trans	-96.5	124.2	-179.6	-53.8	-54.5	0	0	0	110.7	F63 L96 Y99 G103 T105 C107	F63-I101 HydrophobicContact CB-CG1 4.41Å; F63-I101 HydrophobicContact CB-CG2 3.91Å; F63-I101 HydrophobicContact CD2-CD1 4.29Å; F63-I101 HydrophobicContact CD2-CG1 3.78Å; F63-I101 HydrophobicContact CE2-CG1 4.16Å; F63-I101 HydrophobicContact CG-CG1 4.06Å; F63-I101 HydrophobicContact CG-CG2 4.46Å; L96-I101 HydrophobicContact CB-CB 4.24Å; L96-I101 HydrophobicContact CD2-CG2 4.3Å; L96-I101 HydrophobicContact CG-CB 4.26Å; L96-I101 HydrophobicContact CG-CG2 4.25Å; L96-I101 WeakPolarHBondContact O-CB 3.47Å; L96-I101 PolarHBondContact O-N 3.11Å; Y99-I101 VanDerWaalsContact C-N 3.28Å; Y99-I101 WeakPolarHBondContact O-CD1 3.44Å; Y99-I101 PolarHBondContact O-N 2.87Å; I101-G103 WeakPolarHBondContact CG2-O 3.42Å; I101-T105 HydrophobicContact CD1-CG2 4.35Å; I101-C107 VanDerWaalsContact CD1-SG 3.55Å
102	T	90.8	Very high	96.4	Very high	132 Å²	132	43.3 Å²	43.3	81%	0.81	24%	0.237	S	C	*	.			trans	-103.9	-12.5	-177.3	51.9	0	0	0	0	114.3	Q65	Q65-T102 PolarHBondContact NE2-O 3.23Å
103	G	90.3	Very high	96.3	Very high	21 Å²	21	41.4 Å²	41.4	22%	0.216	23%	0.226	C	C	.	.	S	Bend	trans	-150.3	-164.7	-176.6	0	0	0	0	0	112.3	I101 T105	I101-G103 WeakPolarHBondContact CG2-O 3.42Å; G103-T105 PolarHBondContact O-N 3.45Å
104	N	92.6	Very high	96.2	Very high	48 Å²	48	43 Å²	43	26%	0.257	23%	0.229	S	C	.	.	S	Bend	trans	-70.4	115.6	172.6	-66	-38.8	0	0	0	109.1	F63 F64 Q65 D66 I69	F63-N104 CarbonylContact O-C 3.5Å; F63-N104 WeakPolarHBondContact O-CA 3.33Å; F64-N104 WeakPolarHBondContact CA-OD1 3.31Å; F64-N104 HydrophobicContact CD1-CB 4.17Å; Q65-N104 PolarHBondContact N-OD1 2.96Å; D66-N104 PolarHBondContact N-OD1 3.14Å; I69-N104 HydrophobicContact CD1-CB 3.84Å
105	T	95.2	Very high	96.1	Very high	7 Å²	7	40.5 Å²	40.5	4%	0.043	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	141.4	-175	-53.1	0	0	0	0	110.1	F63 I101 G103 N118	F63-T105 PolarHBondContact N-O 3.28Å; F63-T105 PolarHBondContact O-N 3.17Å; I101-T105 HydrophobicContact CD1-CG2 4.35Å; G103-T105 PolarHBondContact O-N 3.45Å; T105-N118 HydrophobicContact CG2-CB 4.01Å
106	I	97.4	Very high	96.1	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	126.8	167.2	-61.8	172.7	0	0	0	107.7	V60 F64 L75 L119 L132	V60-I106 HydrophobicContact CG1-CG2 3.68Å; F64-I106 HydrophobicContact CE1-CG1 4.16Å; F64-I106 HydrophobicContact CZ-CD1 4.31Å; F64-I106 HydrophobicContact CZ-CG1 3.92Å; L75-I106 HydrophobicContact CB-CD1 4.46Å; L75-I106 HydrophobicContact CD1-CD1 4.48Å; L75-I106 HydrophobicContact CD1-CG2 4.22Å; I106-L119 HydrophobicContact CB-CB 4.33Å; I106-L119 HydrophobicContact CB-CD2 4.35Å; I106-L119 HydrophobicContact CD1-CD2 4.47Å; I106-L119 VanDerWaalsContact O-CB 3.29Å; I106-L119 WeakPolarHBondContact O-CB 3.45Å; I106-L119 PolarHBondContact O-N 3.41Å; I106-L132 HydrophobicContact CD1-CD1 4.11Å; I106-L132 HydrophobicContact CD1-CD2 3.99Å; I106-L132 HydrophobicContact CG2-CD1 3.99Å
107	C	98.2	Very high	96.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	141.5	180	-59.7	0	0	0	0	110.5	V60 I61 F63 I101 F109 Q116 L117 N118	V60-C107 CarbonylContact C-O 3.57Å; V60-C107 VanDerWaalsContact CA-O 3.3Å; V60-C107 WeakPolarHBondContact CA-O 3.49Å; I61-C107 PolarHBondContact N-O 3.16Å; I61-C107 PolarHBondContact O-N 3.18Å; F63-C107 HydrophobicContact CD2-CB 4.18Å; F63-C107 HydrophobicContact CE2-CB 3.75Å; F63-C107 VanDerWaalsContact CE2-SG 3.6Å; I101-C107 VanDerWaalsContact CD1-SG 3.55Å; C107-F109 HydrophobicContact CB-CD2 4.31Å; C107-F109 HydrophobicContact CB-CE2 3.58Å; C107-F109 HydrophobicContact CB-CZ 3.99Å; C107-Q116 HydrophobicContact CB-CG 4.45Å; C107-L117 CarbonylContact C-O 3.58Å; C107-L117 VanDerWaalsContact CA-O 3.3Å; C107-L117 WeakPolarHBondContact CA-O 3.42Å; C107-N118 PolarHBondContact SG-OD1 2.74Å
108	L	98.6	Very high	96	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	125.3	166.4	-176.5	150.5	0	0	0	108.9	V58 A59 V60 R110 L117 F135 N139	V58-L108 HydrophobicContact CG1-CD1 4.03Å; V58-L108 HydrophobicContact CG1-CD2 4.16Å; V58-L108 HydrophobicContact CG1-CG 3.97Å; A59-L108 CarbonylContact O-C 3.5Å; A59-L108 WeakPolarHBondContact O-CA 3.45Å; V60-L108 HydrophobicContact CG2-CB 4.32Å; V60-L108 HydrophobicContact CG2-CD1 4.01Å; V60-L108 HydrophobicContact CG2-CG 4.16Å; L108-R110 HydrophobicContact CD2-CB 4.07Å; L108-R110 HydrophobicContact CD2-CG 4.32Å; L108-L117 HydrophobicContact CD2-CD1 4.4Å; L108-L117 PolarHBondContact N-O 3Å; L108-L117 PolarHBondContact O-N 2.85Å; L108-F135 HydrophobicContact CB-CE1 3.74Å; L108-F135 HydrophobicContact CB-CZ 3.99Å; L108-N139 HydrophobicContact CD1-CB 3.94Å; L108-N139 HydrophobicContact CD2-CB 4.18Å
109	F	98.6	Very high	95.7	Very high	12 Å²	12	39.7 Å²	39.7	5%	0.053	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	136.9	173.4	-60.6	-93.5	0	0	0	108.5	I53 V58 A59 I61 F63 Y99 C107 E115 Q116	I53-F109 HydrophobicContact CD1-CB 4.45Å; I53-F109 HydrophobicContact CD1-CD1 3.72Å; I53-F109 HydrophobicContact CD1-CD2 3.88Å; I53-F109 HydrophobicContact CD1-CE1 3.79Å; I53-F109 HydrophobicContact CD1-CE2 3.98Å; I53-F109 HydrophobicContact CD1-CG 3.75Å; I53-F109 HydrophobicContact CD1-CZ 3.93Å; I53-F109 HydrophobicContact CG1-CB 4.29Å; I53-F109 HydrophobicContact CG1-CD1 4.44Å; I53-F109 HydrophobicContact CG1-CD2 4.13Å; I53-F109 HydrophobicContact CG1-CG 4.03Å; I53-F109 HydrophobicContact CG2-CB 3.79Å; I53-F109 HydrophobicContact CG2-CD1 4.38Å; I53-F109 HydrophobicContact CG2-CG 4.19Å; V58-F109 WeakPolarHBondContact CA-O 3.45Å; A59-F109 HydrophobicContact CB-CB 4.34Å; A59-F109 PolarHBondContact N-O 3.48Å; A59-F109 PolarHBondContact O-N 3.13Å; I61-F109 HydrophobicContact CB-CE2 4.13Å; I61-F109 HydrophobicContact CD1-CD2 3.99Å; I61-F109 HydrophobicContact CD1-CE2 3.74Å; I61-F109 HydrophobicContact CG1-CD2 4.24Å; I61-F109 HydrophobicContact CG1-CE2 4.11Å; F63-F109 AromaticContact CE2-CE2 3.89Å; F63-F109 HydrophobicContact CE2-CE2 3.89Å; F63-F109 AromaticContact CE2-CZ 3.91Å; F63-F109 HydrophobicContact CE2-CZ 3.91Å; F63-F109 HydrophobicContact CZ-CE2 4.01Å; F63-F109 AromaticContact CZ-CZ 3.93Å; F63-F109 HydrophobicContact CZ-CZ 3.93Å; Y99-F109 AromaticContact CD1-CE1 3.52Å; Y99-F109 HydrophobicContact CD1-CE1 3.52Å; Y99-F109 AromaticContact CD1-CZ 3.68Å; Y99-F109 HydrophobicContact CD1-CZ 3.68Å; Y99-F109 AromaticContact CE1-CE1 3.72Å; Y99-F109 HydrophobicContact CE1-CE1 3.72Å; Y99-F109 HydrophobicContact CE1-CZ 4.04Å; Y99-F109 HydrophobicContact CG-CE1 4.34Å; Y99-F109 HydrophobicContact CG-CZ 4.04Å; C107-F109 HydrophobicContact CB-CD2 4.31Å; C107-F109 HydrophobicContact CB-CE2 3.58Å; C107-F109 HydrophobicContact CB-CZ 3.99Å; F109-E115 WeakPolarHBondContact CA-O 3.4Å; F109-Q116 HydrophobicContact CD1-CB 3.84Å; F109-Q116 HydrophobicContact CD1-CG 3.97Å; F109-Q116 HydrophobicContact CE1-CB 3.73Å; F109-Q116 HydrophobicContact CE1-CG 3.46Å; F109-Q116 VanDerWaalsContact CE1-CG 3.46Å; F109-Q116 HydrophobicContact CZ-CG 3.84Å
110	R	96.6	Very high	95	Very high	10 Å²	10	45.1 Å²	45.1	4%	0.038	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	136.5	176.3	66.1	-173.9	-169.5	-162.9	-2.5	112.5	E57 V58 L108 V112 D113 N114 E115 N139 L141	E57-R110 CarbonylContact O-C 3.52Å; E57-R110 VanDerWaalsContact O-CA 3.24Å; E57-R110 WeakPolarHBondContact O-CA 3.29Å; V58-R110 HydrophobicContact CG2-CB 4.31Å; L108-R110 HydrophobicContact CD2-CB 4.07Å; L108-R110 HydrophobicContact CD2-CG 4.32Å; R110-V112 HydrophobicContact CG-CG1 4.46Å; R110-D113 WeakPolarHBondContact CG-OD1 3.36Å; R110-D113 IonicContact CZ-OD1 2.71Å; R110-D113 IonicContact CZ-OD2 3.38Å; R110-D113 VanDerWaalsContact CZ-OD2 3.24Å; R110-D113 VanDerWaalsContact NE-CG 3.33Å; R110-D113 IonicContact NE-OD1 3.43Å; R110-D113 PolarHBondContact NE-OD1 3.34Å; R110-D113 IonicContact NE-OD2 2.64Å; R110-D113 PolarHBondContact NE-OD2 3.33Å; R110-D113 VanDerWaalsContact NE-OD2 3.08Å; R110-D113 IonicContact NH2-OD1 2.92Å; R110-D113 IonicContact NH2-OD2 3.66Å; R110-D113 PolarHBondContact NH2-OD2 2.93Å; R110-N114 VanDerWaalsContact O-CA 3.24Å; R110-N114 WeakPolarHBondContact O-CA 3.36Å; R110-N114 PolarHBondContact O-N 3.49Å; R110-N114 VanDerWaalsContact O-N 3.1Å; R110-E115 PolarHBondContact N-O 2.93Å; R110-E115 PolarHBondContact O-N 3.16Å; R110-N139 WeakPolarHBondContact CD-O 3.38Å; R110-N139 PolarHBondContact NH1-O 3.05Å; R110-L141 VanDerWaalsContact NH1-CD1 3.29Å
111	L	96.5	Very high	93.8	Very high	55 Å²	55	43.7 Å²	43.7	29%	0.288	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-29.9	-171.9	-177	61.8	0	0	0	112.7	E57 D113 N114 M143 Q190	E57-L111 PolarHBondContact O-N 2.79Å; L111-D113 VanDerWaalsContact C-N 3.26Å; L111-D113 PolarHBondContact O-N 3.28Å; L111-N114 PolarHBondContact O-N 3.06Å; L111-N114 PolarHBondContact O-OD1 3.34Å; L111-M143 HydrophobicContact CB-CE 3.94Å; L111-M143 HydrophobicContact CD2-CE 3.74Å; L111-M143 HydrophobicContact CG-CE 3.57Å; L111-Q190 VanDerWaalsContact CD1-NE2 3.28Å; L111-Q190 PolarHBondContact O-NE2 3.12Å
112	V	95.9	Very high	92.5	Very high	3 Å²	3	50.9 Å²	50.9	2%	0.018	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-35.8	-170.6	69.7	0	0	0	0	113.2	R110 L141 M143 G191 L194	R110-V112 HydrophobicContact CG-CG1 4.46Å; V112-L141 HydrophobicContact CG1-CB 3.76Å; V112-M143 HydrophobicContact CB-CE 4.28Å; V112-G191 PolarHBondContact O-N 3.22Å; V112-L194 HydrophobicContact CG1-CD2 4.17Å; V112-L194 HydrophobicContact CG2-CD2 3.7Å
113	D	95.1	Very high	91.7	Very high	10 Å²	10	47.6 Å²	47.6	5%	0.053	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	2.4	175	56.2	6.5	0	0	0	113.8	R110 L111 E115 S158 V159 I160	R110-D113 WeakPolarHBondContact CG-OD1 3.36Å; R110-D113 IonicContact CZ-OD1 2.71Å; R110-D113 IonicContact CZ-OD2 3.38Å; R110-D113 VanDerWaalsContact CZ-OD2 3.24Å; R110-D113 VanDerWaalsContact NE-CG 3.33Å; R110-D113 IonicContact NE-OD1 3.43Å; R110-D113 PolarHBondContact NE-OD1 3.34Å; R110-D113 IonicContact NE-OD2 2.64Å; R110-D113 PolarHBondContact NE-OD2 3.33Å; R110-D113 VanDerWaalsContact NE-OD2 3.08Å; R110-D113 IonicContact NH2-OD1 2.92Å; R110-D113 IonicContact NH2-OD2 3.66Å; R110-D113 PolarHBondContact NH2-OD2 2.93Å; L111-D113 VanDerWaalsContact C-N 3.26Å; L111-D113 PolarHBondContact O-N 3.28Å; D113-E115 HydrophobicContact CB-CG 4.13Å; D113-E115 VanDerWaalsContact CG-CG 3.48Å; D113-E115 PolarHBondContact O-N 2.89Å; D113-E115 WeakPolarHBondContact OD1-CB 3.44Å; D113-E115 WeakPolarHBondContact OD1-CG 3.46Å; D113-E115 PolarHBondContact OD1-N 2.86Å; D113-S158 PolarHBondContact OD2-OG 2.88Å; D113-V159 HydrophobicContact CB-CG2 4.27Å; D113-I160 HydrophobicContact CB-CD1 3.53Å; D113-I160 HydrophobicContact CB-CG1 3.87Å
114	N	95.6	Very high	90.8	Very high	108 Å²	108	47.3 Å²	47.3	58%	0.578	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.5	31.3	-176.7	-54.8	-63.7	0	0	0	113.7	R110 L111 Q190	R110-N114 VanDerWaalsContact O-CA 3.24Å; R110-N114 WeakPolarHBondContact O-CA 3.36Å; R110-N114 PolarHBondContact O-N 3.49Å; R110-N114 VanDerWaalsContact O-N 3.1Å; L111-N114 PolarHBondContact O-N 3.06Å; L111-N114 PolarHBondContact O-OD1 3.34Å; N114-Q190 PolarHBondContact OD1-NE2 3.04Å
115	E	96.8	Very high	89.8	Confident	68 Å²	68	53.8 Å²	53.8	32%	0.318	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	146.4	-179.4	-69	-68	121.6	0	0	112.4	F109 R110 D113 V159	F109-E115 WeakPolarHBondContact CA-O 3.4Å; R110-E115 PolarHBondContact N-O 2.93Å; R110-E115 PolarHBondContact O-N 3.16Å; D113-E115 HydrophobicContact CB-CG 4.13Å; D113-E115 VanDerWaalsContact CG-CG 3.48Å; D113-E115 PolarHBondContact O-N 2.89Å; D113-E115 WeakPolarHBondContact OD1-CB 3.44Å; D113-E115 WeakPolarHBondContact OD1-CG 3.46Å; D113-E115 PolarHBondContact OD1-N 2.86Å; E115-V159 HydrophobicContact CG-CG2 4.12Å
116	Q	97.6	Very high	89.1	Confident	65 Å²	65	56.5 Å²	56.5	30%	0.304	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	120.7	164.6	173.2	-175.3	-28.6	0	0	107.9	Y99 C107 F109 N118	Y99-Q116 PolarHBondContact O-NE2 3.14Å; C107-Q116 HydrophobicContact CB-CG 4.45Å; F109-Q116 HydrophobicContact CD1-CB 3.84Å; F109-Q116 HydrophobicContact CD1-CG 3.97Å; F109-Q116 HydrophobicContact CE1-CB 3.73Å; F109-Q116 HydrophobicContact CE1-CG 3.46Å; F109-Q116 VanDerWaalsContact CE1-CG 3.46Å; F109-Q116 HydrophobicContact CZ-CG 3.84Å; Q116-N118 PolarHBondContact NE2-OD1 3.36Å
117	L	96.9	Very high	88.6	Confident	42 Å²	42	57.2 Å²	57.2	22%	0.22	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	116.1	177.8	-60.2	175.4	0	0	0	108.9	C107 L108 F135 N139	C107-L117 CarbonylContact C-O 3.58Å; C107-L117 VanDerWaalsContact CA-O 3.3Å; C107-L117 WeakPolarHBondContact CA-O 3.42Å; L108-L117 HydrophobicContact CD2-CD1 4.4Å; L108-L117 PolarHBondContact N-O 3Å; L108-L117 PolarHBondContact O-N 2.85Å; L117-F135 HydrophobicContact CB-CZ 4.23Å; L117-N139 HydrophobicContact CD1-CB 3.75Å; L117-N139 WeakPolarHBondContact CD1-OD1 3.42Å
118	N	95.7	Very high	88.4	Confident	75 Å²	75	60.5 Å²	60.5	40%	0.401	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	134.5	174.6	-61.5	-9.2	0	0	0	108.5	T105 C107 Q116 E120	T105-N118 HydrophobicContact CG2-CB 4.01Å; C107-N118 PolarHBondContact SG-OD1 2.74Å; Q116-N118 PolarHBondContact NE2-OD1 3.36Å; N118-E120 PolarHBondContact O-N 3.04Å
119	L	92.4	Very high	88.1	Confident	5 Å²	5	62.6 Å²	62.6	3%	0.026	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-63.5	127.3	163.4	-173.1	69.8	0	0	0	107.7	I106 D123 I127 F135	I106-L119 HydrophobicContact CB-CB 4.33Å; I106-L119 HydrophobicContact CB-CD2 4.35Å; I106-L119 HydrophobicContact CD1-CD2 4.47Å; I106-L119 VanDerWaalsContact O-CB 3.29Å; I106-L119 WeakPolarHBondContact O-CB 3.45Å; I106-L119 PolarHBondContact O-N 3.41Å; L119-D123 HydrophobicContact CD1-CB 4.07Å; L119-D123 HydrophobicContact CG-CB 4.07Å; L119-I127 HydrophobicContact CD2-CD1 3.65Å; L119-I127 HydrophobicContact CD2-CG1 4.04Å; L119-F135 HydrophobicContact CB-CZ 4.39Å; L119-F135 HydrophobicContact CD1-CB 3.99Å; L119-F135 HydrophobicContact CD1-CD1 4.21Å; L119-F135 HydrophobicContact CD1-CD2 3.67Å; L119-F135 HydrophobicContact CD1-CE2 4.18Å; L119-F135 HydrophobicContact CD1-CG 3.69Å
120	E	82.1	Confident	87.9	Confident	136 Å²	136	67.2 Å²	67.2	64%	0.636	35%	0.354	S	S	*	.	P	Polyproline II helix	trans	-57.9	147.4	-175.7	-63.3	-175.8	179.4	0	0	111.2	N118 E122 D123 T124	N118-E120 PolarHBondContact O-N 3.04Å; E120-E122 VanDerWaalsContact C-N 3.31Å; E120-E122 PolarHBondContact O-N 3.43Å; E120-D123 HydrophobicContact CB-CB 4.5Å; E120-D123 WeakPolarHBondContact O-CB 3.42Å; E120-D123 PolarHBondContact O-N 3.39Å; E120-T124 PolarHBondContact O-N 2.9Å; E120-T124 PolarHBondContact O-OG1 3.38Å
121	D	71.7	Confident	87.8	Confident	110 Å²	110	70.3 Å²	70.3	59%	0.588	37%	0.368	S	S	*	.	H	α-helix	trans	-59.9	-41	-174.4	-69.2	-27.6	0	0	0	111.8	D123 T124 E125	D121-D123 VanDerWaalsContact C-N 3.26Å; D121-D123 PolarHBondContact O-N 2.79Å; D121-T124 PolarHBondContact O-N 2.81Å; D121-T124 VanDerWaalsContact O-N 3.13Å; D121-E125 PolarHBondContact O-N 2.84Å
122	E	68.7	Low	87.8	Confident	161 Å²	161	67.7 Å²	67.7	75%	0.752	35%	0.354	S	S	*	.	H	α-helix	trans	-61.1	-35	176.3	-63.6	-173.2	-177.7	0	0	112.4	E120 S126	E120-E122 VanDerWaalsContact C-N 3.31Å; E120-E122 PolarHBondContact O-N 3.43Å; E122-S126 PolarHBondContact O-OG 3.45Å; E122-S126 VanDerWaalsContact O-OG 3.11Å
123	D	73.5	Confident	87.8	Confident	64 Å²	64	67.8 Å²	67.8	34%	0.342	36%	0.355	S	S	.	.	H	α-helix	trans	-75.7	-31.8	177.2	-81.9	-29	0	0	0	111.9	L119 E120 D121 S126 I127	L119-D123 HydrophobicContact CD1-CB 4.07Å; L119-D123 HydrophobicContact CG-CB 4.07Å; E120-D123 HydrophobicContact CB-CB 4.5Å; E120-D123 WeakPolarHBondContact O-CB 3.42Å; E120-D123 PolarHBondContact O-N 3.39Å; D121-D123 VanDerWaalsContact C-N 3.26Å; D121-D123 PolarHBondContact O-N 2.79Å; D123-S126 CarbonylContact O-C 3.55Å; D123-I127 WeakPolarHBondContact O-CA 3.48Å; D123-I127 VanDerWaalsContact O-CB 3.24Å; D123-I127 WeakPolarHBondContact O-CB 3.42Å; D123-I127 PolarHBondContact O-N 2.8Å
124	T	71	Confident	87.8	Confident	15 Å²	15	74.5 Å²	74.5	9%	0.092	38%	0.379	C	S	.	.	H	α-helix	trans	-71.4	-37.9	-178.7	-56.3	0	0	0	0	112.1	E120 D121 S126 I127	E120-T124 PolarHBondContact O-N 2.9Å; E120-T124 PolarHBondContact O-OG1 3.38Å; D121-T124 PolarHBondContact O-N 2.81Å; D121-T124 VanDerWaalsContact O-N 3.13Å; T124-S126 VanDerWaalsContact C-N 3.32Å; T124-S126 PolarHBondContact O-N 2.97Å; T124-I127 WeakPolarHBondContact O-CG2 3.49Å
125	E	72.3	Confident	87.8	Confident	184 Å²	184	70.7 Å²	70.7	86%	0.86	36%	0.358	S	S	*	.	H	α-helix	trans	-68.2	-31.3	177.4	-68.6	-172.2	172.5	0	0	113.1	D121	D121-E125 PolarHBondContact O-N 2.84Å
126	S	80	Confident	87.8	Confident	63 Å²	63	67.4 Å²	67.4	44%	0.441	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	24.4	-178.3	68.9	0	0	0	0	112.6	E122 D123 T124 K131	E122-S126 PolarHBondContact O-OG 3.45Å; E122-S126 VanDerWaalsContact O-OG 3.11Å; D123-S126 CarbonylContact O-C 3.55Å; T124-S126 VanDerWaalsContact C-N 3.32Å; T124-S126 PolarHBondContact O-N 2.97Å; S126-K131 PolarHBondContact O-NZ 3.05Å; S126-K131 PolarHBondContact OG-NZ 3.17Å
127	I	87.8	Confident	87.8	Confident	15 Å²	15	67.6 Å²	67.6	8%	0.077	34%	0.343	C	S	.	.			trans	-68.7	135.5	-172.9	-164.2	55.6	0	0	0	110.5	A71 I74 L119 D123 T124 K131 L132	A71-I127 HydrophobicContact CB-CG2 3.78Å; I74-I127 HydrophobicContact CD1-CG2 3.96Å; I74-I127 WeakPolarHBondContact CD1-O 3.36Å; L119-I127 HydrophobicContact CD2-CD1 3.65Å; L119-I127 HydrophobicContact CD2-CG1 4.04Å; D123-I127 WeakPolarHBondContact O-CA 3.48Å; D123-I127 VanDerWaalsContact O-CB 3.24Å; D123-I127 WeakPolarHBondContact O-CB 3.42Å; D123-I127 PolarHBondContact O-N 2.8Å; T124-I127 WeakPolarHBondContact O-CG2 3.49Å; I127-K131 HydrophobicContact CD1-CB 3.63Å; I127-K131 HydrophobicContact CD1-CD 4.49Å; I127-L132 HydrophobicContact CD1-CB 3.92Å; I127-L132 HydrophobicContact CG1-CB 4.11Å
128	D	92.5	Very high	87.7	Confident	69 Å²	69	66.5 Å²	66.5	37%	0.369	34%	0.337	S	S	.	.			trans	-127.7	171.2	167.8	67.5	39.3	0	0	0	109.7	T130 K131 L132	D128-T130 PolarHBondContact O-N 3.16Å; D128-T130 WeakPolarHBondContact OD1-CA 3.47Å; D128-T130 VanDerWaalsContact OD1-CB 3.31Å; D128-T130 WeakPolarHBondContact OD1-CB 3.47Å; D128-T130 PolarHBondContact OD1-N 3.46Å; D128-K131 PolarHBondContact O-N 3.04Å; D128-K131 PolarHBondContact OD1-N 2.95Å; D128-L132 PolarHBondContact O-N 3.38Å
129	A	93.7	Very high	87.8	Confident	45 Å²	45	63.9 Å²	63.9	37%	0.372	32%	0.323	S	S	.	.	H	α-helix	trans	-59.6	-31.9	-179.7	0	0	0	0	0	113.1	I74 M78 S133	I74-A129 HydrophobicContact CG2-CB 4.44Å; M78-A129 HydrophobicContact CE-CB 3.73Å; A129-S133 WeakPolarHBondContact O-CB 3.31Å; A129-S133 PolarHBondContact O-N 2.86Å
130	T	94	Very high	88	Confident	109 Å²	109	64.2 Å²	64.2	67%	0.669	33%	0.326	S	S	*	.	H	α-helix	trans	-72.9	-45.6	-179.6	-61.2	0	0	0	0	111.2	D128 S133 R134	D128-T130 PolarHBondContact O-N 3.16Å; D128-T130 WeakPolarHBondContact OD1-CA 3.47Å; D128-T130 VanDerWaalsContact OD1-CB 3.31Å; D128-T130 WeakPolarHBondContact OD1-CB 3.47Å; D128-T130 PolarHBondContact OD1-N 3.46Å; T130-S133 PolarHBondContact O-N 3.12Å; T130-R134 WeakPolarHBondContact O-CB 3.47Å; T130-R134 PolarHBondContact O-N 3.07Å
131	K	93.9	Very high	88.7	Confident	75 Å²	75	57.7 Å²	57.7	33%	0.326	30%	0.296	S	S	.	.	H	α-helix	trans	-62.4	-48.6	176.4	-75	-178.4	-177.6	-177	0	111.5	S126 I127 D128 S133 R134 F135	S126-K131 PolarHBondContact O-NZ 3.05Å; S126-K131 PolarHBondContact OG-NZ 3.17Å; I127-K131 HydrophobicContact CD1-CB 3.63Å; I127-K131 HydrophobicContact CD1-CD 4.49Å; D128-K131 PolarHBondContact O-N 3.04Å; D128-K131 PolarHBondContact OD1-N 2.95Å; K131-S133 VanDerWaalsContact C-N 3.34Å; K131-S133 PolarHBondContact O-N 2.88Å; K131-R134 PolarHBondContact O-N 3.5Å; K131-F135 PolarHBondContact O-N 2.91Å
132	L	96.1	Very high	90	Very high	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-63.6	-43.1	178.5	-178.8	57.3	0	0	0	111.2	I74 L75 M78 I106 I127 D128 R134 F135 I136	I74-L132 HydrophobicContact CG2-CB 4.16Å; I74-L132 HydrophobicContact CG2-CD2 3.81Å; L75-L132 HydrophobicContact CB-CD2 4.4Å; L75-L132 HydrophobicContact CD1-CD2 4.15Å; M78-L132 HydrophobicContact CG-CD2 3.49Å; M78-L132 VanDerWaalsContact CG-CD2 3.49Å; M78-L132 HydrophobicContact CG-CG 3.86Å; M78-L132 HydrophobicContact SD-CB 4.42Å; M78-L132 HydrophobicContact SD-CD2 4.33Å; M78-L132 HydrophobicContact SD-CG 4.21Å; I106-L132 HydrophobicContact CD1-CD1 4.11Å; I106-L132 HydrophobicContact CD1-CD2 3.99Å; I106-L132 HydrophobicContact CG2-CD1 3.99Å; I127-L132 HydrophobicContact CD1-CB 3.92Å; I127-L132 HydrophobicContact CG1-CB 4.11Å; D128-L132 PolarHBondContact O-N 3.38Å; L132-R134 VanDerWaalsContact C-N 3.33Å; L132-R134 PolarHBondContact O-N 3.12Å; L132-F135 HydrophobicContact CD1-CD1 4.22Å; L132-F135 WeakPolarHBondContact O-CB 3.43Å; L132-F135 PolarHBondContact O-N 3.17Å; L132-I136 HydrophobicContact CD1-CD1 4.14Å; L132-I136 HydrophobicContact CD1-CG1 4.3Å; L132-I136 HydrophobicContact CG-CD1 3.98Å; L132-I136 VanDerWaalsContact O-CG1 3.31Å; L132-I136 WeakPolarHBondContact O-CG1 3.17Å; L132-I136 PolarHBondContact O-N 2.96Å
133	S	96.3	Very high	91.3	Very high	4 Å²	4	47.5 Å²	47.5	3%	0.028	25%	0.245	C	C	.	.	H	α-helix	trans	-57.4	-46.2	174.8	-176.9	0	0	0	0	112	K81 F82 A129 T130 K131 I136 E137	K81-S133 WeakPolarHBondContact CE-OG 3.31Å; K81-S133 PolarHBondContact NZ-OG 3.17Å; F82-S133 WeakPolarHBondContact CZ-OG 3.28Å; A129-S133 WeakPolarHBondContact O-CB 3.31Å; A129-S133 PolarHBondContact O-N 2.86Å; T130-S133 PolarHBondContact O-N 3.12Å; K131-S133 VanDerWaalsContact C-N 3.34Å; K131-S133 PolarHBondContact O-N 2.88Å; S133-I136 PolarHBondContact O-N 3.15Å; S133-E137 WeakPolarHBondContact O-CB 3.37Å; S133-E137 VanDerWaalsContact O-CG 3.25Å; S133-E137 WeakPolarHBondContact O-CG 3.46Å; S133-E137 PolarHBondContact O-N 2.91Å; S133-E137 PolarHBondContact OG-OE1 2.94Å
134	R	94.9	Very high	92.5	Very high	151 Å²	151	45.5 Å²	45.5	57%	0.57	24%	0.235	S	C	*	.	H	α-helix	trans	-63.7	-41.9	178.5	-177.2	-178.4	-179	115.7	2.4	111.4	T130 K131 L132 I136 E137 I138	T130-R134 WeakPolarHBondContact O-CB 3.47Å; T130-R134 PolarHBondContact O-N 3.07Å; K131-R134 PolarHBondContact O-N 3.5Å; L132-R134 VanDerWaalsContact C-N 3.33Å; L132-R134 PolarHBondContact O-N 3.12Å; R134-I136 VanDerWaalsContact C-N 3.31Å; R134-I136 PolarHBondContact O-N 3.5Å; R134-E137 PolarHBondContact O-N 3.22Å; R134-I138 HydrophobicContact CG-CD1 3.68Å; R134-I138 HydrophobicContact CG-CG1 4.3Å; R134-I138 WeakPolarHBondContact O-CB 3.36Å; R134-I138 VanDerWaalsContact O-CG1 3.26Å; R134-I138 WeakPolarHBondContact O-CG1 3.23Å; R134-I138 PolarHBondContact O-N 3.45Å
135	F	96.3	Very high	93.8	Very high	28 Å²	28	45 Å²	45	12%	0.123	23%	0.232	C	C	.	.	H	α-helix	trans	-57.9	-45.2	175.2	171.4	-100.1	0	0	0	111.4	L108 L117 L119 K131 L132 N139	L108-F135 HydrophobicContact CB-CE1 3.74Å; L108-F135 HydrophobicContact CB-CZ 3.99Å; L117-F135 HydrophobicContact CB-CZ 4.23Å; L119-F135 HydrophobicContact CB-CZ 4.39Å; L119-F135 HydrophobicContact CD1-CB 3.99Å; L119-F135 HydrophobicContact CD1-CD1 4.21Å; L119-F135 HydrophobicContact CD1-CD2 3.67Å; L119-F135 HydrophobicContact CD1-CE2 4.18Å; L119-F135 HydrophobicContact CD1-CG 3.69Å; K131-F135 PolarHBondContact O-N 2.91Å; L132-F135 HydrophobicContact CD1-CD1 4.22Å; L132-F135 WeakPolarHBondContact O-CB 3.43Å; L132-F135 PolarHBondContact O-N 3.17Å; F135-N139 VanDerWaalsContact CD2-ND2 3.34Å; F135-N139 WeakPolarHBondContact CD2-ND2 3.49Å; F135-N139 WeakPolarHBondContact CE2-ND2 3.49Å; F135-N139 WeakPolarHBondContact O-CB 3.01Å; F135-N139 PolarHBondContact O-N 3.13Å; F135-N139 VanDerWaalsContact O-N 3.16Å; F135-N139 PolarHBondContact O-ND2 3.35Å
136	I	97.4	Very high	94.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-65	-51.3	176.8	-63.5	166.8	0	0	0	110.4	V60 M78 F82 V85 F87 L132 S133 R134 I138 N139 S140	V60-I136 HydrophobicContact CG2-CD1 4.38Å; V60-I136 HydrophobicContact CG2-CG1 4.1Å; M78-I136 HydrophobicContact CB-CD1 4.08Å; M78-I136 HydrophobicContact CG-CD1 3.92Å; M78-I136 HydrophobicContact SD-CD1 4.34Å; F82-I136 HydrophobicContact CD1-CG2 3.78Å; F82-I136 HydrophobicContact CD2-CD1 4.07Å; F82-I136 HydrophobicContact CD2-CG2 4Å; F82-I136 HydrophobicContact CE1-CB 4.35Å; F82-I136 HydrophobicContact CE1-CG2 3.82Å; F82-I136 HydrophobicContact CE2-CB 4.14Å; F82-I136 HydrophobicContact CE2-CD1 3.93Å; F82-I136 HydrophobicContact CE2-CG2 4.03Å; F82-I136 HydrophobicContact CG-CG2 3.87Å; F82-I136 HydrophobicContact CZ-CB 4.03Å; F82-I136 HydrophobicContact CZ-CG2 3.94Å; V85-I136 HydrophobicContact CG2-CG2 4.27Å; F87-I136 HydrophobicContact CE1-CD1 3.87Å; F87-I136 HydrophobicContact CZ-CD1 4.05Å; L132-I136 HydrophobicContact CD1-CD1 4.14Å; L132-I136 HydrophobicContact CD1-CG1 4.3Å; L132-I136 HydrophobicContact CG-CD1 3.98Å; L132-I136 VanDerWaalsContact O-CG1 3.31Å; L132-I136 WeakPolarHBondContact O-CG1 3.17Å; L132-I136 PolarHBondContact O-N 2.96Å; S133-I136 PolarHBondContact O-N 3.15Å; R134-I136 VanDerWaalsContact C-N 3.31Å; R134-I136 PolarHBondContact O-N 3.5Å; I136-I138 VanDerWaalsContact C-N 3.3Å; I136-I138 PolarHBondContact O-N 3.32Å; I136-N139 PolarHBondContact O-N 2.97Å; I136-N139 VanDerWaalsContact O-N 3.16Å; I136-S140 WeakPolarHBondContact CG2-OG 3.41Å; I136-S140 VanDerWaalsContact O-CB 3.24Å; I136-S140 WeakPolarHBondContact O-CB 3.22Å; I136-S140 PolarHBondContact O-N 2.83Å; I136-S140 PolarHBondContact O-OG 3.38Å
137	E	96.2	Very high	95.7	Very high	68 Å²	68	37.9 Å²	37.9	32%	0.318	19%	0.19	S	C	.	.	H	α-helix	trans	-58.2	-39.8	-178.4	-71.7	164.3	-163.4	0	0	113.1	K81 F82 S133 R134 V150	K81-E137 IonicContact NZ-OE1 3.96Å; K81-E137 PolarHBondContact NZ-OE1 2.98Å; F82-E137 HydrophobicContact CE1-CG 3.59Å; F82-E137 HydrophobicContact CZ-CG 3.78Å; S133-E137 WeakPolarHBondContact O-CB 3.37Å; S133-E137 VanDerWaalsContact O-CG 3.25Å; S133-E137 WeakPolarHBondContact O-CG 3.46Å; S133-E137 PolarHBondContact O-N 2.91Å; S133-E137 PolarHBondContact OG-OE1 2.94Å; R134-E137 PolarHBondContact O-N 3.22Å; E137-V150 HydrophobicContact CB-CG1 3.7Å
138	I	95.9	Very high	95.9	Very high	19 Å²	19	39.4 Å²	39.4	10%	0.097	20%	0.199	C	C	.	.	H	α-helix	trans	-68.5	-44	178.4	-72.2	172.9	0	0	0	110.4	R134 I136 V150 I153 G154	R134-I138 HydrophobicContact CG-CD1 3.68Å; R134-I138 HydrophobicContact CG-CG1 4.3Å; R134-I138 WeakPolarHBondContact O-CB 3.36Å; R134-I138 VanDerWaalsContact O-CG1 3.26Å; R134-I138 WeakPolarHBondContact O-CG1 3.23Å; R134-I138 PolarHBondContact O-N 3.45Å; I136-I138 VanDerWaalsContact C-N 3.3Å; I136-I138 PolarHBondContact O-N 3.32Å; I138-V150 HydrophobicContact CG1-CG1 3.72Å; I138-I153 HydrophobicContact CD1-CD1 4.18Å; I138-I153 HydrophobicContact CD1-CG2 4.43Å; I138-I153 HydrophobicContact CG1-CB 4.46Å; I138-I153 HydrophobicContact CG1-CD1 4.38Å; I138-I153 HydrophobicContact CG2-CB 4Å; I138-I153 HydrophobicContact CG2-CG2 3.82Å; I138-G154 WeakPolarHBondContact O-CA 3.37Å
139	N	97.1	Very high	95.8	Very high	20 Å²	20	39.5 Å²	39.5	11%	0.107	20%	0.203	C	C	.	.	H	α-helix	trans	-99.5	-11.6	-164	-67.3	-60.5	0	0	0	115	L108 R110 L117 F135 I136 L141	L108-N139 HydrophobicContact CD1-CB 3.94Å; L108-N139 HydrophobicContact CD2-CB 4.18Å; R110-N139 WeakPolarHBondContact CD-O 3.38Å; R110-N139 PolarHBondContact NH1-O 3.05Å; L117-N139 HydrophobicContact CD1-CB 3.75Å; L117-N139 WeakPolarHBondContact CD1-OD1 3.42Å; F135-N139 VanDerWaalsContact CD2-ND2 3.34Å; F135-N139 WeakPolarHBondContact CD2-ND2 3.49Å; F135-N139 WeakPolarHBondContact CE2-ND2 3.49Å; F135-N139 WeakPolarHBondContact O-CB 3.01Å; F135-N139 PolarHBondContact O-N 3.13Å; F135-N139 VanDerWaalsContact O-N 3.16Å; F135-N139 PolarHBondContact O-ND2 3.35Å; I136-N139 PolarHBondContact O-N 2.97Å; I136-N139 VanDerWaalsContact O-N 3.16Å; N139-L141 VanDerWaalsContact C-N 3.27Å; N139-L141 PolarHBondContact O-N 3.22Å
140	S	96.9	Very high	95.7	Very high	12 Å²	12	39.7 Å²	39.7	8%	0.084	20%	0.199	C	C	.	.			trans	-69.1	79.1	174.3	-69.4	0	0	0	0	111.6	I136 H142	I136-S140 WeakPolarHBondContact CG2-OG 3.41Å; I136-S140 VanDerWaalsContact O-CB 3.24Å; I136-S140 WeakPolarHBondContact O-CB 3.22Å; I136-S140 PolarHBondContact O-N 2.83Å; I136-S140 PolarHBondContact O-OG 3.38Å; S140-H142 PolarHBondContact O-CD2 3.42Å
141	L	97.4	Very high	95.7	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.172	C	C	.	.			trans	-93.5	127.2	171.2	-53.5	-175.4	0	0	0	109.9	V58 R110 V112 N139 T145 L155 L194	V58-L141 WeakPolarHBondContact CG2-O 3.32Å; R110-L141 VanDerWaalsContact NH1-CD1 3.29Å; V112-L141 HydrophobicContact CG1-CB 3.76Å; N139-L141 VanDerWaalsContact C-N 3.27Å; N139-L141 PolarHBondContact O-N 3.22Å; L141-T145 HydrophobicContact CD2-CG2 3.96Å; L141-L155 HydrophobicContact CD1-CD2 4.29Å; L141-L155 HydrophobicContact CD2-CD2 3.87Å; L141-L155 HydrophobicContact CD2-CG 3.97Å; L141-L194 HydrophobicContact CD1-CD1 4.34Å
142	H	97.4	Very high	95.6	Very high	46 Å²	46	32 Å²	32	21%	0.213	16%	0.159	C	C	.	.			trans	-103.9	172	-178.5	-67.3	-80	0	0	0	110.9	E57 S140 V144 T145	E57-H142 WeakPolarHBondContact OE2-CA 3.18Å; E57-H142 WeakPolarHBondContact OE2-CB 3.39Å; E57-H142 IonicContact OE2-CG 3.76Å; E57-H142 IonicContact OE2-ND1 3.56Å; E57-H142 PolarHBondContact OE2-ND1 3.22Å; S140-H142 PolarHBondContact O-CD2 3.42Å; H142-V144 PolarHBondContact O-N 3.43Å; H142-T145 PolarHBondContact N-OG1 3.42Å; H142-T145 PolarHBondContact O-OG1 3.03Å
143	M	96.7	Very high	95.6	Very high	10 Å²	10	34.1 Å²	34.1	5%	0.049	17%	0.17	C	C	.	.	S	Bend	trans	-55.2	-35.3	174	-74	-66.2	142.8	0	0	112	E57 L111 V112 A186 Q190 F195	E57-M143 VanDerWaalsContact CD-CG 3.45Å; E57-M143 HydrophobicContact CG-CG 4.21Å; E57-M143 WeakPolarHBondContact OE1-CB 3.28Å; E57-M143 WeakPolarHBondContact OE1-CG 3.38Å; E57-M143 PolarHBondContact OE2-N 2.87Å; L111-M143 HydrophobicContact CB-CE 3.94Å; L111-M143 HydrophobicContact CD2-CE 3.74Å; L111-M143 HydrophobicContact CG-CE 3.57Å; V112-M143 HydrophobicContact CB-CE 4.28Å; M143-A186 WeakPolarHBondContact O-CB 3.42Å; M143-Q190 HydrophobicContact CE-CG 4Å; M143-F195 WeakPolarHBondContact O-CB 3.26Å
144	V	98.1	Very high	95.5	Very high	23 Å²	23	34 Å²	34	14%	0.139	17%	0.168	C	C	.	.	S	Bend	trans	-128.8	115.6	163	178.6	0	0	0	0	107.7	H142 M179 Y182 Q183 A186 F195 L197	H142-V144 PolarHBondContact O-N 3.43Å; V144-M179 HydrophobicContact CG1-SD 3.96Å; V144-Y182 HydrophobicContact CG1-CD1 3.93Å; V144-Y182 HydrophobicContact CG1-CE1 3.86Å; V144-Y182 HydrophobicContact CG2-CD1 3.75Å; V144-Y182 HydrophobicContact CG2-CE1 4.04Å; V144-Q183 HydrophobicContact CB-CG 4.26Å; V144-Q183 HydrophobicContact CG2-CB 4.32Å; V144-Q183 HydrophobicContact CG2-CG 3.61Å; V144-A186 HydrophobicContact CG2-CB 4.15Å; V144-F195 WeakPolarHBondContact CA-O 3.22Å; V144-F195 HydrophobicContact CG2-CB 4.13Å; V144-L197 HydrophobicContact CG1-CB 4.14Å
145	T	98	Very high	95.5	Very high	5 Å²	5	26.9 Å²	26.9	3%	0.031	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	130.1	-179.6	-58.5	0	0	0	0	110.4	L141 H142 Y147 T151 L155 F195 I196 L197	L141-T145 HydrophobicContact CD2-CG2 3.96Å; H142-T145 PolarHBondContact N-OG1 3.42Å; H142-T145 PolarHBondContact O-OG1 3.03Å; T145-Y147 PolarHBondContact O-N 2.69Å; T145-T151 HydrophobicContact CG2-CG2 4.19Å; T145-L155 HydrophobicContact CG2-CD2 4.36Å; T145-F195 PolarHBondContact N-O 3.05Å; T145-I196 CarbonylContact O-C 3.56Å; T145-I196 VanDerWaalsContact O-CA 3.22Å; T145-I196 WeakPolarHBondContact O-CA 3.31Å; T145-L197 PolarHBondContact O-N 3.38Å
146	E	97.3	Very high	95.4	Very high	65 Å²	65	27.5 Å²	27.5	30%	0.304	14%	0.144	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	129.7	173.4	-173.1	165	174.2	0	0	110.6	N148 T151 K170	E146-N148 PolarHBondContact O-N 3.03Å; E146-T151 PolarHBondContact O-OG1 3.49Å; E146-K170 IonicContact OE1-NZ 3.78Å; E146-K170 PolarHBondContact OE1-NZ 2.96Å; E146-K170 IonicContact OE2-NZ 2.9Å; E146-K170 PolarHBondContact OE2-NZ 3.06Å
147	Y	96.2	Very high	95.3	Very high	31 Å²	31	32.1 Å²	32.1	12%	0.122	17%	0.169	C	C	.	.	P	Polyproline II helix	trans	-70.3	124.8	176.1	174.8	-90.5	0	0	0	110.6	T145 V152 L197 V198 N205 V208	T145-Y147 PolarHBondContact O-N 2.69Å; Y147-V152 HydrophobicContact CD2-CB 4.36Å; Y147-V152 HydrophobicContact CD2-CG2 4.38Å; Y147-V152 HydrophobicContact CE2-CB 3.87Å; Y147-V152 HydrophobicContact CE2-CG2 3.65Å; Y147-L197 WeakPolarHBondContact CB-O 3.42Å; Y147-L197 PolarHBondContact N-O 3.08Å; Y147-V198 HydrophobicContact CG-CG2 4.3Å; Y147-N205 WeakPolarHBondContact CD1-OD1 3.35Å; Y147-N205 WeakPolarHBondContact CE1-OD1 3.4Å; Y147-V208 HydrophobicContact CD1-CG2 4.35Å; Y147-V208 HydrophobicContact CE1-CG2 3.63Å; Y147-V208 HydrophobicContact CE2-CG2 4.27Å
148	N	92.4	Very high	95.2	Very high	48 Å²	48	29.5 Å²	29.5	26%	0.257	16%	0.158	S	C	.	.			trans	-152.6	172.3	168	67.3	57.8	0	0	0	110.2	E146 V150 T151 V152	E146-N148 PolarHBondContact O-N 3.03Å; N148-V150 PolarHBondContact O-N 3.18Å; N148-V150 WeakPolarHBondContact OD1-CA 3.4Å; N148-V150 WeakPolarHBondContact OD1-CB 3.41Å; N148-V150 PolarHBondContact OD1-N 2.91Å; N148-T151 VanDerWaalsContact CG-OG1 3.32Å; N148-T151 PolarHBondContact N-OG1 2.8Å; N148-T151 VanDerWaalsContact ND2-CG2 3.35Å; N148-T151 WeakPolarHBondContact ND2-CG2 3.34Å; N148-T151 PolarHBondContact ND2-OG1 2.68Å; N148-T151 PolarHBondContact O-N 3.26Å; N148-T151 PolarHBondContact O-OG1 2.94Å; N148-T151 PolarHBondContact OD1-N 3.11Å; N148-T151 PolarHBondContact OD1-OG1 3.28Å; N148-V152 WeakPolarHBondContact O-CB 3.37Å; N148-V152 WeakPolarHBondContact O-CG1 3.46Å; N148-V152 PolarHBondContact O-N 3.08Å; N148-V152 VanDerWaalsContact O-N 3.08Å
149	P	90.3	Very high	95.1	Very high	70 Å²	70	32.7 Å²	32.7	46%	0.455	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55	-21.4	179.5	-33.8	41.2	0	0	0	116.7	L15 V152	L15-P149 HydrophobicContact CD2-CB 3.56Å; L15-P149 HydrophobicContact CD2-CG 4.02Å; P149-V152 WeakPolarHBondContact O-CG1 3.24Å
150	V	91.6	Very high	95	Very high	49 Å²	49	32.2 Å²	32.2	30%	0.297	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.7	-51.2	-179.1	-174.3	0	0	0	0	110.4	E137 I138 N148 V152 I153	E137-V150 HydrophobicContact CB-CG1 3.7Å; I138-V150 HydrophobicContact CG1-CG1 3.72Å; N148-V150 PolarHBondContact O-N 3.18Å; N148-V150 WeakPolarHBondContact OD1-CA 3.4Å; N148-V150 WeakPolarHBondContact OD1-CB 3.41Å; N148-V150 PolarHBondContact OD1-N 2.91Å; V150-V152 VanDerWaalsContact C-N 3.25Å; V150-V152 PolarHBondContact O-N 2.95Å; V150-I153 WeakPolarHBondContact O-CB 3.07Å; V150-I153 PolarHBondContact O-N 3.34Å; V150-I153 VanDerWaalsContact O-N 3.12Å
151	T	93.4	Very high	94.9	Very high	14 Å²	14	35.8 Å²	35.8	9%	0.086	19%	0.191	C	C	.	.	H	α-helix	trans	-65.9	-27.1	-178	57.1	0	0	0	0	112.8	T145 E146 N148 I153 G154 L155	T145-T151 HydrophobicContact CG2-CG2 4.19Å; E146-T151 PolarHBondContact O-OG1 3.49Å; N148-T151 VanDerWaalsContact CG-OG1 3.32Å; N148-T151 PolarHBondContact N-OG1 2.8Å; N148-T151 VanDerWaalsContact ND2-CG2 3.35Å; N148-T151 WeakPolarHBondContact ND2-CG2 3.34Å; N148-T151 PolarHBondContact ND2-OG1 2.68Å; N148-T151 PolarHBondContact O-N 3.26Å; N148-T151 PolarHBondContact O-OG1 2.94Å; N148-T151 PolarHBondContact OD1-N 3.11Å; N148-T151 PolarHBondContact OD1-OG1 3.28Å; T151-I153 PolarHBondContact O-N 3.21Å; T151-G154 PolarHBondContact O-N 3.44Å; T151-G154 VanDerWaalsContact O-N 3.11Å; T151-L155 WeakPolarHBondContact O-CG 3.43Å; T151-L155 PolarHBondContact O-N 3.4Å
152	V	92.7	Very high	94.9	Very high	9 Å²	9	37 Å²	37	6%	0.055	20%	0.198	C	C	.	.	H	α-helix	trans	-57.5	-32.4	174.7	70.7	0	0	0	0	112.2	Y147 N148 P149 V150 F156	Y147-V152 HydrophobicContact CD2-CB 4.36Å; Y147-V152 HydrophobicContact CD2-CG2 4.38Å; Y147-V152 HydrophobicContact CE2-CB 3.87Å; Y147-V152 HydrophobicContact CE2-CG2 3.65Å; N148-V152 WeakPolarHBondContact O-CB 3.37Å; N148-V152 WeakPolarHBondContact O-CG1 3.46Å; N148-V152 PolarHBondContact O-N 3.08Å; N148-V152 VanDerWaalsContact O-N 3.08Å; P149-V152 WeakPolarHBondContact O-CG1 3.24Å; V150-V152 VanDerWaalsContact C-N 3.25Å; V150-V152 PolarHBondContact O-N 2.95Å; V152-F156 HydrophobicContact CG2-CD2 3.63Å; V152-F156 HydrophobicContact CG2-CE2 3.69Å; V152-F156 WeakPolarHBondContact O-CB 3.32Å; V152-F156 VanDerWaalsContact O-CD2 3.32Å; V152-F156 WeakPolarHBondContact O-CD2 3.3Å; V152-F156 PolarHBondContact O-N 2.74Å; V152-F156 VanDerWaalsContact O-N 3.12Å
153	I	94.8	Very high	94.9	Very high	45 Å²	45	35 Å²	35	23%	0.231	19%	0.189	C	C	.	.	H	α-helix	trans	-63.9	-48.3	177.5	-57.5	171.7	0	0	0	109.6	I138 V150 T151 F156 N157	I138-I153 HydrophobicContact CD1-CD1 4.18Å; I138-I153 HydrophobicContact CD1-CG2 4.43Å; I138-I153 HydrophobicContact CG1-CB 4.46Å; I138-I153 HydrophobicContact CG1-CD1 4.38Å; I138-I153 HydrophobicContact CG2-CB 4Å; I138-I153 HydrophobicContact CG2-CG2 3.82Å; V150-I153 WeakPolarHBondContact O-CB 3.07Å; V150-I153 PolarHBondContact O-N 3.34Å; V150-I153 VanDerWaalsContact O-N 3.12Å; T151-I153 PolarHBondContact O-N 3.21Å; I153-F156 PolarHBondContact O-N 2.9Å; I153-N157 WeakPolarHBondContact O-CB 3.36Å; I153-N157 PolarHBondContact O-N 2.85Å; I153-N157 PolarHBondContact O-ND2 3.44Å
154	G	94.8	Very high	95	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.5	-41.2	178.5	0	0	0	0	0	113.5	I138 T151 F156 N157 S158	I138-G154 WeakPolarHBondContact O-CA 3.37Å; T151-G154 PolarHBondContact O-N 3.44Å; T151-G154 VanDerWaalsContact O-N 3.11Å; G154-F156 VanDerWaalsContact C-N 3.29Å; G154-F156 PolarHBondContact O-N 3.44Å; G154-N157 PolarHBondContact O-N 3.06Å; G154-N157 VanDerWaalsContact O-N 3.16Å; G154-S158 PolarHBondContact O-N 3.32Å
155	L	95.6	Very high	95	Very high	3 Å²	3	34 Å²	34	2%	0.016	18%	0.182	C	C	.	.	H	α-helix	trans	-56	-46.1	177.1	-72.7	169.8	0	0	0	110.9	L141 T145 T151 S158 H163 L194 I196	L141-L155 HydrophobicContact CD1-CD2 4.29Å; L141-L155 HydrophobicContact CD2-CD2 3.87Å; L141-L155 HydrophobicContact CD2-CG 3.97Å; T145-L155 HydrophobicContact CG2-CD2 4.36Å; T151-L155 WeakPolarHBondContact O-CG 3.43Å; T151-L155 PolarHBondContact O-N 3.4Å; L155-S158 WeakPolarHBondContact O-CB 3.24Å; L155-S158 PolarHBondContact O-N 3.41Å; L155-H163 PolarHBondContact O-NE2 3.01Å; L155-L194 HydrophobicContact CD2-CB 4.46Å; L155-L194 HydrophobicContact CD2-CD1 3.95Å; L155-I196 HydrophobicContact CD1-CD1 3.86Å; L155-I196 HydrophobicContact CD1-CG1 3.94Å; L155-I196 HydrophobicContact CD1-CG2 4.28Å; L155-I196 HydrophobicContact CD2-CD1 3.97Å; L155-I196 HydrophobicContact CD2-CG1 3.8Å; L155-I196 HydrophobicContact CG-CD1 4.45Å
156	F	94	Very high	95.1	Very high	40 Å²	40	33.8 Å²	33.8	18%	0.175	18%	0.181	C	C	.	.	H	α-helix	trans	-78.4	-18.9	-179.8	-87.4	-92.4	0	0	0	114.3	F8 F11 V152 I153 G154 Y225 T227	F8-F156 HydrophobicContact CD2-CD1 4.01Å; F8-F156 HydrophobicContact CE2-CB 3.59Å; F8-F156 AromaticContact CE2-CD1 3.86Å; F8-F156 HydrophobicContact CE2-CD1 3.86Å; F8-F156 HydrophobicContact CE2-CG 4.12Å; F8-F156 HydrophobicContact CZ-CB 3.9Å; F11-F156 HydrophobicContact CD2-CZ 4.37Å; F11-F156 HydrophobicContact CG-CZ 4.37Å; V152-F156 HydrophobicContact CG2-CD2 3.63Å; V152-F156 HydrophobicContact CG2-CE2 3.69Å; V152-F156 WeakPolarHBondContact O-CB 3.32Å; V152-F156 VanDerWaalsContact O-CD2 3.32Å; V152-F156 WeakPolarHBondContact O-CD2 3.3Å; V152-F156 PolarHBondContact O-N 2.74Å; V152-F156 VanDerWaalsContact O-N 3.12Å; I153-F156 PolarHBondContact O-N 2.9Å; G154-F156 VanDerWaalsContact C-N 3.29Å; G154-F156 PolarHBondContact O-N 3.44Å; F156-Y225 AromaticContact CE1-CE1 3.99Å; F156-Y225 HydrophobicContact CE1-CE1 3.99Å; F156-Y225 AromaticContact CZ-CE1 3.97Å; F156-Y225 HydrophobicContact CZ-CE1 3.97Å; F156-T227 HydrophobicContact CD1-CG2 4.14Å; F156-T227 HydrophobicContact CE1-CG2 4.01Å
157	N	93.6	Very high	95.1	Very high	98 Å²	98	30.7 Å²	30.7	52%	0.524	17%	0.166	S	C	.	.	H	α-helix	trans	-85.9	-9	172.6	-72.3	-9	0	0	0	113.1	I153 G154	I153-N157 WeakPolarHBondContact O-CB 3.36Å; I153-N157 PolarHBondContact O-N 2.85Å; I153-N157 PolarHBondContact O-ND2 3.44Å; G154-N157 PolarHBondContact O-N 3.06Å; G154-N157 VanDerWaalsContact O-N 3.16Å
158	S	94.5	Very high	95.2	Very high	12 Å²	12	29.3 Å²	29.3	8%	0.084	16%	0.161	C	C	.	.	S	Bend	trans	-66.4	149.4	176.9	-179.6	0	0	0	0	111.4	D113 G154 L155 I160	D113-S158 PolarHBondContact OD2-OG 2.88Å; G154-S158 PolarHBondContact O-N 3.32Å; L155-S158 WeakPolarHBondContact O-CB 3.24Å; L155-S158 PolarHBondContact O-N 3.41Å; S158-I160 PolarHBondContact O-N 3.07Å; S158-I160 PolarHBondContact OG-N 2.87Å; S158-I160 VanDerWaalsContact OG-N 3.14Å
159	V	93.4	Very high	95.4	Very high	86 Å²	86	30.2 Å²	30.2	52%	0.521	17%	0.166	S	C	.	.	S	Bend	trans	-66	-21.9	170.8	-61.9	0	0	0	0	112.3	D113 E115 Q161	D113-V159 HydrophobicContact CB-CG2 4.27Å; E115-V159 HydrophobicContact CG-CG2 4.12Å; V159-Q161 PolarHBondContact O-N 2.99Å
160	I	96.2	Very high	95.7	Very high	11 Å²	11	30.2 Å²	30.2	6%	0.056	16%	0.159	C	C	.	.			trans	-80.7	113	175.8	-60.9	178.9	0	0	0	109.6	D113 S158 G191 K192 L194	D113-I160 HydrophobicContact CB-CD1 3.53Å; D113-I160 HydrophobicContact CB-CG1 3.87Å; S158-I160 PolarHBondContact O-N 3.07Å; S158-I160 PolarHBondContact OG-N 2.87Å; S158-I160 VanDerWaalsContact OG-N 3.14Å; I160-G191 VanDerWaalsContact CD1-C 3.43Å; I160-K192 VanDerWaalsContact CG2-O 3.31Å; I160-K192 WeakPolarHBondContact CG2-O 3.37Å; I160-L194 HydrophobicContact CB-CD1 4.37Å; I160-L194 HydrophobicContact CB-CD2 4.19Å; I160-L194 HydrophobicContact CB-CG 3.91Å; I160-L194 HydrophobicContact CD1-CD2 3.84Å; I160-L194 HydrophobicContact CD1-CG 4.42Å; I160-L194 HydrophobicContact CG2-CD2 4.38Å; I160-L194 HydrophobicContact CG2-CG 3.84Å
161	Q	94.6	Very high	96	Very high	86 Å²	86	32.1 Å²	32.1	40%	0.402	18%	0.179	S	C	.	.			trans	-92.1	1.2	-172.9	-66.7	174	28.1	0	0	114.6	V159 R226 T227	V159-Q161 PolarHBondContact O-N 2.99Å; Q161-R226 WeakPolarHBondContact O-CA 3.3Å; Q161-T227 WeakPolarHBondContact CA-OG1 3.22Å; Q161-T227 VanDerWaalsContact CB-OG1 3.29Å; Q161-T227 WeakPolarHBondContact CB-OG1 3.35Å; Q161-T227 PolarHBondContact O-N 3.36Å; Q161-T227 PolarHBondContact O-OG1 3.26Å
162	I	97.3	Very high	96.1	Very high	26 Å²	26	32.8 Å²	32.8	13%	0.133	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.8	-177.1	-54.6	179.1	0	0	0	108.9	I193 L194 I224 Y225 R226 F252 L253	I162-I193 HydrophobicContact CB-CG1 4.11Å; I162-I193 HydrophobicContact CG2-CD1 4.31Å; I162-I193 HydrophobicContact CG2-CG1 3.84Å; I162-I193 HydrophobicContact CG2-CG2 4.2Å; I162-I193 CarbonylContact O-C 3.53Å; I162-I193 WeakPolarHBondContact O-CA 3.28Å; I162-L194 PolarHBondContact O-N 3.34Å; I162-I224 HydrophobicContact CG2-CD1 3.97Å; I162-I224 HydrophobicContact CG2-CG1 3.93Å; I162-Y225 WeakPolarHBondContact CA-O 3.5Å; I162-R226 HydrophobicContact CG1-CG 4.24Å; I162-F252 HydrophobicContact CG2-CE1 4.35Å; I162-L253 HydrophobicContact CD1-CD2 3.36Å
163	H	98	Very high	96.2	Very high	5 Å²	5	38 Å²	38	2%	0.023	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	124.7	-175.6	-65.7	178.8	0	0	0	108.6	L155 L165 L194 I196 I224 Y225 T227	L155-H163 PolarHBondContact O-NE2 3.01Å; H163-L165 HydrophobicContact CB-CD1 4.15Å; H163-L194 CarbonylContact C-O 3.54Å; H163-L194 WeakPolarHBondContact CA-O 3.44Å; H163-I196 HydrophobicContact CB-CD1 3.71Å; H163-I224 CarbonylContact O-C 3.53Å; H163-I224 WeakPolarHBondContact O-CA 3.32Å; H163-Y225 HydrophobicContact CB-CD1 4.45Å; H163-Y225 PolarHBondContact N-O 3.46Å; H163-Y225 PolarHBondContact O-N 2.91Å; H163-T227 VanDerWaalsContact CE1-CG2 3.44Å; H163-T227 WeakPolarHBondContact CE1-CG2 3.35Å
164	L	98.6	Very high	96.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125.8	166.1	-177.3	73.8	0	0	0	108.2	Y182 I193 L194 F195 I196 L222 A223 I224 V245 F248	L164-Y182 HydrophobicContact CD2-CE2 3.65Å; L164-Y182 HydrophobicContact CG-CE2 4.28Å; L164-Y182 PolarHBondContact O-OH 3.2Å; L164-I193 HydrophobicContact CB-CG2 3.69Å; L164-L194 PolarHBondContact N-O 2.97Å; L164-F195 HydrophobicContact CB-CD2 4.35Å; L164-F195 HydrophobicContact CB-CE2 4.38Å; L164-F195 HydrophobicContact CD2-CD1 4.01Å; L164-F195 HydrophobicContact CD2-CD2 4.42Å; L164-F195 HydrophobicContact CD2-CE1 3.54Å; L164-F195 HydrophobicContact CD2-CE2 3.97Å; L164-F195 HydrophobicContact CD2-CG 4.41Å; L164-F195 HydrophobicContact CD2-CZ 3.49Å; L164-F195 VanDerWaalsContact CD2-CZ 3.49Å; L164-F195 CarbonylContact O-C 3.58Å; L164-F195 WeakPolarHBondContact O-CA 3.27Å; L164-I196 PolarHBondContact O-N 3.11Å; L164-L222 HydrophobicContact CD1-CB 4.28Å; L164-L222 HydrophobicContact CD1-CD2 4.45Å; L164-L222 HydrophobicContact CD2-CD2 4.45Å; L164-L222 HydrophobicContact CG-CD2 4.46Å; L164-A223 CarbonylContact C-O 3.58Å; L164-I224 HydrophobicContact CD1-CB 3.95Å; L164-I224 HydrophobicContact CD1-CD1 4.43Å; L164-I224 HydrophobicContact CD1-CG1 4.4Å; L164-V245 HydrophobicContact CD2-CG1 3.71Å; L164-F248 HydrophobicContact CD1-CD1 3.88Å; L164-F248 HydrophobicContact CD1-CE1 3.93Å
165	L	98.6	Very high	96.2	Very high	11 Å²	11	42.3 Å²	42.3	6%	0.058	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	125	179.1	-58.6	85	0	0	0	108.9	H163 I167 I196 V198 V208 F212 L222 A223	H163-L165 HydrophobicContact CB-CD1 4.15Å; L165-I167 HydrophobicContact CB-CG1 4.29Å; L165-I196 CarbonylContact C-O 3.47Å; L165-I196 VanDerWaalsContact CA-O 3.29Å; L165-I196 WeakPolarHBondContact CA-O 3.29Å; L165-I196 HydrophobicContact CG-CB 4.23Å; L165-I196 HydrophobicContact CG-CD1 4.36Å; L165-I196 HydrophobicContact CG-CG2 4.43Å; L165-V198 HydrophobicContact CB-CG2 4.26Å; L165-V198 HydrophobicContact CD2-CG2 3.65Å; L165-V198 HydrophobicContact CG-CG2 4.41Å; L165-V208 HydrophobicContact CD2-CG1 4.07Å; L165-F212 HydrophobicContact CD1-CE2 4.24Å; L165-F212 HydrophobicContact CD1-CZ 3.94Å; L165-F212 HydrophobicContact CD2-CE2 3.83Å; L165-F212 HydrophobicContact CD2-CZ 4.31Å; L165-L222 CarbonylContact O-C 3.55Å; L165-L222 VanDerWaalsContact O-CA 3.3Å; L165-L222 WeakPolarHBondContact O-CA 3.33Å; L165-A223 HydrophobicContact CB-CB 4.41Å; L165-A223 WeakPolarHBondContact CD1-O 3.49Å; L165-A223 PolarHBondContact N-O 3.3Å; L165-A223 PolarHBondContact O-N 2.91Å
166	L	98.6	Very high	96.3	Very high	0 Å²	0	49 Å²	49	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	113.2	160.9	174.7	58.9	0	0	0	108.3	M168 M179 Y182 I196 V198 L222 V240	L166-M168 HydrophobicContact CD1-SD 4.32Å; L166-M168 HydrophobicContact CD2-CG 4.5Å; L166-M168 HydrophobicContact CD2-SD 3.69Å; L166-M168 HydrophobicContact CG-CG 4.18Å; L166-M168 HydrophobicContact CG-SD 3.96Å; L166-M179 HydrophobicContact CD2-CE 3.95Å; L166-Y182 HydrophobicContact CB-CD1 4.06Å; L166-Y182 HydrophobicContact CB-CD2 4.18Å; L166-Y182 HydrophobicContact CB-CE1 3.71Å; L166-Y182 HydrophobicContact CB-CE2 3.84Å; L166-Y182 HydrophobicContact CB-CG 4.28Å; L166-Y182 HydrophobicContact CD2-CD1 3.84Å; L166-Y182 HydrophobicContact CD2-CD2 4.08Å; L166-Y182 HydrophobicContact CD2-CE1 4.36Å; L166-Y182 HydrophobicContact CD2-CG 3.69Å; L166-Y182 PolarHBondContact N-OH 2.82Å; L166-I196 PolarHBondContact N-O 3.36Å; L166-V198 PolarHBondContact O-N 3.49Å; L166-L222 HydrophobicContact CB-CD2 4.2Å; L166-L222 HydrophobicContact CD1-CD2 4.05Å; L166-V240 HydrophobicContact CD1-CG2 3.82Å
167	I	98.3	Very high	96.4	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	110.1	-179.7	-53.5	173.3	0	0	0	107.6	L165 V198 I209 F212 L214 L219 P220 A221 A223	L165-I167 HydrophobicContact CB-CG1 4.29Å; I167-V198 HydrophobicContact CG1-CB 4.08Å; I167-V198 HydrophobicContact CG1-CG2 4.31Å; I167-V198 HydrophobicContact CG2-CB 4.47Å; I167-I209 HydrophobicContact CG2-CD1 4.17Å; I167-I209 HydrophobicContact CG2-CG1 3.84Å; I167-F212 HydrophobicContact CD1-CD2 4.24Å; I167-L214 HydrophobicContact CD1-CD1 3.69Å; I167-L219 HydrophobicContact CB-CD2 4.04Å; I167-L219 HydrophobicContact CG2-CD1 4.09Å; I167-L219 HydrophobicContact CG2-CD2 3.62Å; I167-P220 WeakPolarHBondContact O-CA 3.34Å; I167-A221 PolarHBondContact N-O 3.13Å; I167-A221 PolarHBondContact O-N 2.91Å; I167-A223 HydrophobicContact CD1-CB 4.26Å
168	M	97.6	Very high	96.6	Very high	3 Å²	3	48.4 Å²	48.4	2%	0.015	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	161.5	-178.6	70.8	179.8	-57.6	0	0	112.4	L166 Y175 N178 L197 V198 D199 S200 P220	L166-M168 HydrophobicContact CD1-SD 4.32Å; L166-M168 HydrophobicContact CD2-CG 4.5Å; L166-M168 HydrophobicContact CD2-SD 3.69Å; L166-M168 HydrophobicContact CG-CG 4.18Å; L166-M168 HydrophobicContact CG-SD 3.96Å; M168-Y175 HydrophobicContact CE-CD2 3.99Å; M168-Y175 HydrophobicContact CG-CD2 4.3Å; M168-Y175 HydrophobicContact SD-CD2 3.87Å; M168-Y175 HydrophobicContact SD-CE2 4.46Å; M168-N178 HydrophobicContact CE-CB 3.97Å; M168-N178 HydrophobicContact SD-CB 4.1Å; M168-L197 HydrophobicContact CG-CD1 3.92Å; M168-V198 PolarHBondContact N-O 2.78Å; M168-D199 WeakPolarHBondContact O-CA 3.17Å; M168-S200 PolarHBondContact O-N 3.25Å; M168-S200 PolarHBondContact O-OG 2.95Å; M168-P220 HydrophobicContact CB-CB 3.87Å
169	N	96.9	Very high	96.7	Very high	67 Å²	67	48.3 Å²	48.3	36%	0.358	26%	0.262	S	S	.	.			trans	-82.6	120.3	176.6	-174.1	-19.1	0	0	0	109.7	A171 S172 S200	N169-A171 PolarHBondContact O-N 3.46Å; N169-A171 WeakPolarHBondContact OD1-CB 3.32Å; N169-A171 PolarHBondContact OD1-N 3.02Å; N169-S172 VanDerWaalsContact O-CB 3.28Å; N169-S172 WeakPolarHBondContact O-CB 3.24Å; N169-S172 PolarHBondContact O-N 3.14Å; N169-S172 PolarHBondContact O-OG 3.3Å; N169-S200 WeakPolarHBondContact CA-OG 3.35Å; N169-S200 WeakPolarHBondContact CB-OG 3.05Å; N169-S200 PolarHBondContact N-OG 3.4Å
170	K	96.9	Very high	96.9	Very high	70 Å²	70	49 Å²	49	30%	0.304	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-24	177.6	-70.2	176.9	67.9	172.8	0	113.5	E146 S172 Y175 L197 D199	E146-K170 IonicContact OE1-NZ 3.78Å; E146-K170 PolarHBondContact OE1-NZ 2.96Å; E146-K170 IonicContact OE2-NZ 2.9Å; E146-K170 PolarHBondContact OE2-NZ 3.06Å; K170-S172 VanDerWaalsContact C-N 3.29Å; K170-Y175 HydrophobicContact CB-CD2 4.29Å; K170-Y175 HydrophobicContact CB-CE2 4.21Å; K170-Y175 HydrophobicContact CG-CD2 4.11Å; K170-Y175 HydrophobicContact CG-CE2 3.62Å; K170-L197 HydrophobicContact CD-CD2 4.15Å; K170-L197 HydrophobicContact CG-CD2 4.27Å; K170-D199 HydrophobicContact CD-CB 3.65Å; K170-D199 HydrophobicContact CG-CB 3.91Å; K170-D199 PolarHBondContact N-OD1 3.29Å
171	A	96.9	Very high	97	Very high	88 Å²	88	51.5 Å²	51.5	73%	0.727	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-0.2	175.8	0	0	0	0	0	113.8	N169	N169-A171 PolarHBondContact O-N 3.46Å; N169-A171 WeakPolarHBondContact OD1-CB 3.32Å; N169-A171 PolarHBondContact OD1-N 3.02Å
172	S	95.5	Very high	97.1	Very high	28 Å²	28	47.4 Å²	47.4	20%	0.196	25%	0.249	C	C	.	.	S	Bend	trans	-71.1	144.2	175.6	63.8	0	0	0	0	111.4	N169 K170 E174 Y175	N169-S172 VanDerWaalsContact O-CB 3.28Å; N169-S172 WeakPolarHBondContact O-CB 3.24Å; N169-S172 PolarHBondContact O-N 3.14Å; N169-S172 PolarHBondContact O-OG 3.3Å; K170-S172 VanDerWaalsContact C-N 3.29Å; S172-E174 PolarHBondContact O-N 3.05Å; S172-Y175 VanDerWaalsContact O-CB 3.25Å; S172-Y175 WeakPolarHBondContact O-CB 3.43Å; S172-Y175 PolarHBondContact O-N 3.38Å; S172-Y175 VanDerWaalsContact O-N 3.12Å
173	P	95.5	Very high	97.2	Very high	120 Å²	120	50.4 Å²	50.4	78%	0.779	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.7	-22.5	-179.8	24	-30.4	0	0	0	113.2	Y175	P173-Y175 VanDerWaalsContact C-N 3.31Å
174	E	94	Very high	97.1	Very high	102 Å²	102	54.8 Å²	54.8	48%	0.477	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-2.3	178	-54.2	80.6	-175.8	0	0	113.4	S172 E177 N178	S172-E174 PolarHBondContact O-N 3.05Å; E174-E177 PolarHBondContact O-N 3.33Å; E174-N178 WeakPolarHBondContact O-CB 3.25Å; E174-N178 VanDerWaalsContact O-CG 3.3Å; E174-N178 PolarHBondContact O-N 2.83Å; E174-N178 PolarHBondContact O-ND2 3.21Å
175	Y	96.6	Very high	97.1	Very high	33 Å²	33	54.8 Å²	54.8	13%	0.129	28%	0.281	C	S	.	.	H	α-helix	trans	-54.9	-56.9	-174	173.9	-104.7	0	0	0	113.5	M168 K170 S172 P173 E177 N178 M179 L197	M168-Y175 HydrophobicContact CE-CD2 3.99Å; M168-Y175 HydrophobicContact CG-CD2 4.3Å; M168-Y175 HydrophobicContact SD-CD2 3.87Å; M168-Y175 HydrophobicContact SD-CE2 4.46Å; K170-Y175 HydrophobicContact CB-CD2 4.29Å; K170-Y175 HydrophobicContact CB-CE2 4.21Å; K170-Y175 HydrophobicContact CG-CD2 4.11Å; K170-Y175 HydrophobicContact CG-CE2 3.62Å; S172-Y175 VanDerWaalsContact O-CB 3.25Å; S172-Y175 WeakPolarHBondContact O-CB 3.43Å; S172-Y175 PolarHBondContact O-N 3.38Å; S172-Y175 VanDerWaalsContact O-N 3.12Å; P173-Y175 VanDerWaalsContact C-N 3.31Å; Y175-E177 VanDerWaalsContact C-N 3.32Å; Y175-E177 PolarHBondContact O-N 3.1Å; Y175-N178 PolarHBondContact O-N 2.85Å; Y175-M179 HydrophobicContact CD2-CE 4.49Å; Y175-M179 HydrophobicContact CE2-CE 3.72Å; Y175-M179 VanDerWaalsContact O-CB 3.27Å; Y175-M179 WeakPolarHBondContact O-CB 3.44Å; Y175-M179 PolarHBondContact O-N 2.85Å; Y175-L197 HydrophobicContact CE2-CD1 4.36Å; Y175-L197 HydrophobicContact CE2-CD2 3.86Å; Y175-L197 WeakPolarHBondContact OH-CD2 3.49Å
176	E	96.9	Very high	97	Very high	142 Å²	142	54.4 Å²	54.4	66%	0.664	28%	0.279	S	S	*	.	H	α-helix	trans	-60.1	-42.8	-175.2	-67.2	-60	148.6	0	0	112.2	M179 H180	E176-M179 PolarHBondContact O-N 3.4Å; E176-H180 WeakPolarHBondContact O-CB 3.48Å; E176-H180 PolarHBondContact O-N 3.33Å
177	E	96.3	Very high	96.9	Very high	113 Å²	113	61 Å²	61	53%	0.528	31%	0.308	S	S	.	.	H	α-helix	trans	-69.6	-43.7	-179.5	-178.2	166.8	-151.9	0	0	112.1	E174 Y175 M179 H180 R181	E174-E177 PolarHBondContact O-N 3.33Å; Y175-E177 VanDerWaalsContact C-N 3.32Å; Y175-E177 PolarHBondContact O-N 3.1Å; E177-M179 VanDerWaalsContact C-N 3.34Å; E177-H180 PolarHBondContact O-N 3.13Å; E177-R181 VanDerWaalsContact O-CG 3.32Å; E177-R181 WeakPolarHBondContact O-CG 3.25Å; E177-R181 PolarHBondContact O-N 3.17Å; E177-R181 VanDerWaalsContact O-N 3.17Å; E177-R181 IonicContact OE1-CZ 3.13Å; E177-R181 IonicContact OE1-NE 3.45Å; E177-R181 IonicContact OE1-NH2 3.63Å; E177-R181 PolarHBondContact OE1-NH2 3.08Å; E177-R181 IonicContact OE2-NH2 2.59Å
178	N	96.9	Very high	96.8	Very high	13 Å²	13	65.3 Å²	65.3	7%	0.07	33%	0.331	C	S	.	.	H	α-helix	trans	-63.6	-41.4	175.7	-74.5	-26.6	0	0	0	111.2	M168 E174 Y175 R181 Y182 V240	M168-N178 HydrophobicContact CE-CB 3.97Å; M168-N178 HydrophobicContact SD-CB 4.1Å; E174-N178 WeakPolarHBondContact O-CB 3.25Å; E174-N178 VanDerWaalsContact O-CG 3.3Å; E174-N178 PolarHBondContact O-N 2.83Å; E174-N178 PolarHBondContact O-ND2 3.21Å; Y175-N178 PolarHBondContact O-N 2.85Å; N178-R181 PolarHBondContact O-N 3.48Å; N178-Y182 VanDerWaalsContact O-CB 3.23Å; N178-Y182 WeakPolarHBondContact O-CB 3.47Å; N178-Y182 PolarHBondContact O-N 2.81Å; N178-V240 HydrophobicContact CB-CB 4.06Å; N178-V240 HydrophobicContact CB-CG2 4.04Å; N178-V240 WeakPolarHBondContact OD1-CB 3.29Å
179	M	97.8	Very high	96.8	Very high	11 Å²	11	65.7 Å²	65.7	5%	0.054	33%	0.332	C	S	.	.	H	α-helix	trans	-63.6	-44.4	179.1	-168.1	50.6	48.1	0	0	111.8	V144 L166 Y175 E176 E177 R181 Y182 Q183 L197	V144-M179 HydrophobicContact CG1-SD 3.96Å; L166-M179 HydrophobicContact CD2-CE 3.95Å; Y175-M179 HydrophobicContact CD2-CE 4.49Å; Y175-M179 HydrophobicContact CE2-CE 3.72Å; Y175-M179 VanDerWaalsContact O-CB 3.27Å; Y175-M179 WeakPolarHBondContact O-CB 3.44Å; Y175-M179 PolarHBondContact O-N 2.85Å; E176-M179 PolarHBondContact O-N 3.4Å; E177-M179 VanDerWaalsContact C-N 3.34Å; M179-R181 VanDerWaalsContact C-N 3.34Å; M179-R181 PolarHBondContact O-N 2.62Å; M179-Y182 PolarHBondContact O-N 2.79Å; M179-Y182 HydrophobicContact SD-CD1 4.32Å; M179-Q183 HydrophobicContact CG-CG 4.5Å; M179-Q183 WeakPolarHBondContact O-CB 3.24Å; M179-Q183 WeakPolarHBondContact O-CG 3.21Å; M179-Q183 PolarHBondContact O-N 3.48Å; M179-Q183 HydrophobicContact SD-CG 4.38Å; M179-L197 HydrophobicContact CE-CB 4.3Å; M179-L197 HydrophobicContact CE-CD1 3.75Å; M179-L197 HydrophobicContact CE-CD2 3.79Å; M179-L197 HydrophobicContact CE-CG 4.14Å
180	H	97.2	Very high	96.8	Very high	100 Å²	100	65.8 Å²	65.8	46%	0.463	33%	0.33	S	S	.	.	H	α-helix	trans	-59.4	-43.4	175.8	-179.4	57.1	0	0	0	112.6	E176 E177 K184	E176-H180 WeakPolarHBondContact O-CB 3.48Å; E176-H180 PolarHBondContact O-N 3.33Å; E177-H180 PolarHBondContact O-N 3.13Å; H180-K184 WeakPolarHBondContact CE1-CE 3.48Å; H180-K184 VanDerWaalsContact NE2-CE 3.34Å; H180-K184 WeakPolarHBondContact NE2-CE 3.34Å; H180-K184 PolarHBondContact NE2-NZ 3.34Å; H180-K184 VanDerWaalsContact NE2-NZ 3.13Å; H180-K184 WeakPolarHBondContact O-CG 3.36Å; H180-K184 PolarHBondContact O-N 2.83Å; H180-K184 VanDerWaalsContact O-N 3.13Å
181	R	97.7	Very high	96.8	Very high	64 Å²	64	64.2 Å²	64.2	24%	0.242	33%	0.334	C	S	.	.	H	α-helix	trans	-67.9	-39.8	177.2	-65.9	170.7	-173.3	175.5	-1.8	111.4	E177 N178 M179 K184 A185 V240	E177-R181 VanDerWaalsContact O-CG 3.32Å; E177-R181 WeakPolarHBondContact O-CG 3.25Å; E177-R181 PolarHBondContact O-N 3.17Å; E177-R181 VanDerWaalsContact O-N 3.17Å; E177-R181 IonicContact OE1-CZ 3.13Å; E177-R181 IonicContact OE1-NE 3.45Å; E177-R181 IonicContact OE1-NH2 3.63Å; E177-R181 PolarHBondContact OE1-NH2 3.08Å; E177-R181 IonicContact OE2-NH2 2.59Å; N178-R181 PolarHBondContact O-N 3.48Å; M179-R181 VanDerWaalsContact C-N 3.34Å; M179-R181 PolarHBondContact O-N 2.62Å; R181-K184 PolarHBondContact O-N 3.32Å; R181-A185 PolarHBondContact O-N 2.99Å; R181-V240 HydrophobicContact CB-CG1 4.26Å; R181-V240 WeakPolarHBondContact CD-O 3.41Å; R181-V240 PolarHBondContact NH1-O 2.98Å
182	Y	98.2	Very high	96.7	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-64.7	-44.7	178.2	-169	-118.8	0	0	0	111.9	V144 L164 L166 N178 M179 K184 A185 A186 F195 I196 L222 V245	V144-Y182 HydrophobicContact CG1-CD1 3.93Å; V144-Y182 HydrophobicContact CG1-CE1 3.86Å; V144-Y182 HydrophobicContact CG2-CD1 3.75Å; V144-Y182 HydrophobicContact CG2-CE1 4.04Å; L164-Y182 HydrophobicContact CD2-CE2 3.65Å; L164-Y182 HydrophobicContact CG-CE2 4.28Å; L164-Y182 PolarHBondContact O-OH 3.2Å; L166-Y182 HydrophobicContact CB-CD1 4.06Å; L166-Y182 HydrophobicContact CB-CD2 4.18Å; L166-Y182 HydrophobicContact CB-CE1 3.71Å; L166-Y182 HydrophobicContact CB-CE2 3.84Å; L166-Y182 HydrophobicContact CB-CG 4.28Å; L166-Y182 HydrophobicContact CD2-CD1 3.84Å; L166-Y182 HydrophobicContact CD2-CD2 4.08Å; L166-Y182 HydrophobicContact CD2-CE1 4.36Å; L166-Y182 HydrophobicContact CD2-CG 3.69Å; L166-Y182 PolarHBondContact N-OH 2.82Å; N178-Y182 VanDerWaalsContact O-CB 3.23Å; N178-Y182 WeakPolarHBondContact O-CB 3.47Å; N178-Y182 PolarHBondContact O-N 2.81Å; M179-Y182 PolarHBondContact O-N 2.79Å; M179-Y182 HydrophobicContact SD-CD1 4.32Å; Y182-K184 VanDerWaalsContact C-N 3.33Å; Y182-K184 PolarHBondContact O-N 3.19Å; Y182-A185 WeakPolarHBondContact O-CB 3.39Å; Y182-A185 PolarHBondContact O-N 3.47Å; Y182-A185 VanDerWaalsContact O-N 3.14Å; Y182-A186 PolarHBondContact O-N 2.85Å; Y182-F195 HydrophobicContact CD1-CD1 4.14Å; Y182-F195 AromaticContact CD2-CD1 3.88Å; Y182-F195 HydrophobicContact CD2-CD1 3.88Å; Y182-F195 HydrophobicContact CD2-CE1 4.02Å; Y182-F195 HydrophobicContact CE1-CB 3.91Å; Y182-F195 AromaticContact CE1-CD1 3.68Å; Y182-F195 HydrophobicContact CE1-CD1 3.68Å; Y182-F195 HydrophobicContact CE1-CG 4.24Å; Y182-F195 AromaticContact CE2-CD1 3.38Å; Y182-F195 HydrophobicContact CE2-CD1 3.38Å; Y182-F195 AromaticContact CE2-CE1 3.65Å; Y182-F195 HydrophobicContact CE2-CE1 3.65Å; Y182-F195 HydrophobicContact CE2-CG 4.38Å; Y182-F195 HydrophobicContact CG-CD1 4.21Å; Y182-F195 AromaticContact CZ-CD1 3.26Å; Y182-F195 AromaticContact CZ-CG 3.89Å; Y182-I196 PolarHBondContact OH-N 3.01Å; Y182-L222 HydrophobicContact CD2-CD2 4.42Å; Y182-L222 HydrophobicContact CE2-CD2 3.87Å; Y182-V245 HydrophobicContact CD2-CG2 4.3Å
183	Q	97.4	Very high	96.9	Very high	89 Å²	89	65.3 Å²	65.3	42%	0.416	32%	0.319	S	S	.	.	H	α-helix	trans	-60.5	-39.4	173.5	-75.2	173.6	-21.9	0	0	112.4	V144 M179 A185 A186 K187	V144-Q183 HydrophobicContact CB-CG 4.26Å; V144-Q183 HydrophobicContact CG2-CB 4.32Å; V144-Q183 HydrophobicContact CG2-CG 3.61Å; M179-Q183 HydrophobicContact CG-CG 4.5Å; M179-Q183 WeakPolarHBondContact O-CB 3.24Å; M179-Q183 WeakPolarHBondContact O-CG 3.21Å; M179-Q183 PolarHBondContact O-N 3.48Å; M179-Q183 HydrophobicContact SD-CG 4.38Å; Q183-A185 VanDerWaalsContact C-N 3.35Å; Q183-A186 WeakPolarHBondContact O-CB 3.49Å; Q183-A186 PolarHBondContact O-N 2.86Å; Q183-K187 PolarHBondContact O-N 2.89Å
184	K	97.3	Very high	97	Very high	97 Å²	97	59.7 Å²	59.7	42%	0.422	28%	0.282	S	S	.	.	H	α-helix	trans	-63.9	-40.8	173.7	-75.1	175.4	179.1	176.8	0	112.2	H180 R181 Y182 I242	H180-K184 WeakPolarHBondContact CE1-CE 3.48Å; H180-K184 VanDerWaalsContact NE2-CE 3.34Å; H180-K184 WeakPolarHBondContact NE2-CE 3.34Å; H180-K184 PolarHBondContact NE2-NZ 3.34Å; H180-K184 VanDerWaalsContact NE2-NZ 3.13Å; H180-K184 WeakPolarHBondContact O-CG 3.36Å; H180-K184 PolarHBondContact O-N 2.83Å; H180-K184 VanDerWaalsContact O-N 3.13Å; R181-K184 PolarHBondContact O-N 3.32Å; Y182-K184 VanDerWaalsContact C-N 3.33Å; Y182-K184 PolarHBondContact O-N 3.19Å; K184-I242 HydrophobicContact CB-CD1 3.74Å; K184-I242 HydrophobicContact CB-CG1 4.16Å; K184-I242 HydrophobicContact CD-CD1 4.02Å
185	A	97.6	Very high	97.2	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-66.3	-39.1	176.2	0	0	0	0	0	111.6	R181 Y182 Q183 K187 L188 F189 F195 I242 V245	R181-A185 PolarHBondContact O-N 2.99Å; Y182-A185 WeakPolarHBondContact O-CB 3.39Å; Y182-A185 PolarHBondContact O-N 3.47Å; Y182-A185 VanDerWaalsContact O-N 3.14Å; Q183-A185 VanDerWaalsContact C-N 3.35Å; A185-K187 PolarHBondContact O-N 3.37Å; A185-L188 VanDerWaalsContact O-CB 3.31Å; A185-L188 WeakPolarHBondContact O-CB 3.46Å; A185-L188 PolarHBondContact O-N 2.85Å; A185-F189 WeakPolarHBondContact O-CD2 3.12Å; A185-F195 HydrophobicContact CB-CE1 4.02Å; A185-I242 HydrophobicContact CB-CG2 4.43Å; A185-V245 HydrophobicContact CB-CB 3.95Å; A185-V245 HydrophobicContact CB-CG1 3.65Å; A185-V245 HydrophobicContact CB-CG2 4.37Å
186	A	97.9	Very high	97.3	Very high	3 Å²	3	53.5 Å²	53.5	3%	0.025	26%	0.255	C	S	.	.	H	α-helix	trans	-53.5	-41.3	178.5	0	0	0	0	0	112.7	M143 V144 Y182 Q183 L188 F189 Q190 F195	M143-A186 WeakPolarHBondContact O-CB 3.42Å; V144-A186 HydrophobicContact CG2-CB 4.15Å; Y182-A186 PolarHBondContact O-N 2.85Å; Q183-A186 WeakPolarHBondContact O-CB 3.49Å; Q183-A186 PolarHBondContact O-N 2.86Å; A186-L188 PolarHBondContact O-N 3.16Å; A186-L188 VanDerWaalsContact O-N 3.13Å; A186-F189 CarbonylContact O-C 3.55Å; A186-F189 PolarHBondContact O-N 3.16Å; A186-Q190 PolarHBondContact O-N 3.47Å; A186-F195 VanDerWaalsContact CA-CE1 3.49Å; A186-F195 HydrophobicContact CB-CB 3.89Å; A186-F195 HydrophobicContact CB-CD1 3.45Å; A186-F195 VanDerWaalsContact CB-CD1 3.45Å; A186-F195 HydrophobicContact CB-CD2 4.06Å; A186-F195 HydrophobicContact CB-CE1 3.94Å; A186-F195 HydrophobicContact CB-CG 3.54Å; A186-F195 HydrophobicContact CB-CZ 4.46Å
187	K	96.2	Very high	97.4	Very high	138 Å²	138	47 Å²	47	60%	0.6	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-59.2	-26.1	178.2	-65.2	-177.2	-178.7	-170.6	0	113.9	Q183 A185 F189	Q183-K187 PolarHBondContact O-N 2.89Å; A185-K187 PolarHBondContact O-N 3.37Å; K187-F189 PolarHBondContact O-N 2.87Å
188	L	96.6	Very high	97.5	Very high	91 Å²	91	41.6 Å²	41.6	48%	0.476	20%	0.199	S	C	.	.	G	3₁₀ helix	trans	-73.2	-20	177.2	-56.2	176.4	0	0	0	112.5	A185 A186 I242	A185-L188 VanDerWaalsContact O-CB 3.31Å; A185-L188 WeakPolarHBondContact O-CB 3.46Å; A185-L188 PolarHBondContact O-N 2.85Å; A186-L188 PolarHBondContact O-N 3.16Å; A186-L188 VanDerWaalsContact O-N 3.13Å; L188-I242 HydrophobicContact CD1-CG2 3.72Å
189	F	96.9	Very high	97.5	Very high	10 Å²	10	41.9 Å²	41.9	4%	0.044	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-119.4	13	-173.5	-63.2	-80.4	0	0	0	113.6	A185 A186 K187 G191 K192 I193 F195 Q246 C249 L253	A185-F189 WeakPolarHBondContact O-CD2 3.12Å; A186-F189 CarbonylContact O-C 3.55Å; A186-F189 PolarHBondContact O-N 3.16Å; K187-F189 PolarHBondContact O-N 2.87Å; F189-G191 PolarHBondContact O-N 3.33Å; F189-K192 WeakPolarHBondContact O-CA 3.39Å; F189-K192 WeakPolarHBondContact O-CB 3.3Å; F189-K192 PolarHBondContact O-N 3.21Å; F189-I193 HydrophobicContact CB-CB 4.02Å; F189-I193 HydrophobicContact CB-CG1 4.45Å; F189-I193 HydrophobicContact CD1-CD1 3.72Å; F189-I193 HydrophobicContact CD1-CG1 4.36Å; F189-I193 HydrophobicContact CE1-CD1 4.14Å; F189-I193 HydrophobicContact CG-CD1 4.2Å; F189-I193 PolarHBondContact O-N 3.29Å; F189-F195 HydrophobicContact CB-CE2 3.79Å; F189-F195 HydrophobicContact CB-CZ 4.41Å; F189-F195 AromaticContact CD2-CE2 3.89Å; F189-F195 HydrophobicContact CD2-CE2 3.89Å; F189-F195 AromaticContact CD2-CZ 3.66Å; F189-F195 HydrophobicContact CD2-CZ 3.66Å; F189-F195 HydrophobicContact CE2-CZ 4.35Å; F189-F195 HydrophobicContact CG-CE2 4.12Å; F189-F195 HydrophobicContact CG-CZ 4.35Å; F189-Q246 HydrophobicContact CE2-CB 4.38Å; F189-Q246 HydrophobicContact CE2-CG 4.45Å; F189-Q246 HydrophobicContact CZ-CB 4.32Å; F189-Q246 HydrophobicContact CZ-CG 4.02Å; F189-C249 HydrophobicContact CD1-CB 4.45Å; F189-C249 HydrophobicContact CE1-CB 3.68Å; F189-C249 HydrophobicContact CE2-CB 4.09Å; F189-C249 HydrophobicContact CZ-CB 3.46Å; F189-C249 VanDerWaalsContact CZ-CB 3.46Å; F189-L253 HydrophobicContact CE1-CD1 4.47Å
190	Q	96.4	Very high	97.5	Very high	69 Å²	69	42.4 Å²	42.4	32%	0.322	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	135.3	171.5	-176.5	-173.6	-13.7	0	0	110.4	L111 N114 M143 A186 K192	L111-Q190 VanDerWaalsContact CD1-NE2 3.28Å; L111-Q190 PolarHBondContact O-NE2 3.12Å; N114-Q190 PolarHBondContact OD1-NE2 3.04Å; M143-Q190 HydrophobicContact CE-CG 4Å; A186-Q190 PolarHBondContact O-N 3.47Å; Q190-K192 PolarHBondContact O-N 3.13Å
191	G	96.2	Very high	97.4	Very high	37 Å²	37	39.8 Å²	39.8	38%	0.381	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.4	-1.5	-176.5	0	0	0	0	0	115.1	V112 I160 F189	V112-G191 PolarHBondContact O-N 3.22Å; I160-G191 VanDerWaalsContact CD1-C 3.43Å; F189-G191 PolarHBondContact O-N 3.33Å
192	K	96.6	Very high	97.3	Very high	136 Å²	136	40 Å²	40	59%	0.591	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	-127.3	-42.2	-174.5	-59.7	178.1	-175.7	170.8	0	114.2	I160 F189 Q190	I160-K192 VanDerWaalsContact CG2-O 3.31Å; I160-K192 WeakPolarHBondContact CG2-O 3.37Å; F189-K192 WeakPolarHBondContact O-CA 3.39Å; F189-K192 WeakPolarHBondContact O-CB 3.3Å; F189-K192 PolarHBondContact O-N 3.21Å; Q190-K192 PolarHBondContact O-N 3.13Å
193	I	98.1	Very high	97	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.015	25%	0.253	C	S	.	.			trans	-137.3	129.5	-179.6	-60.3	172.9	0	0	0	108.6	I162 L164 F189 F195 I224 C249 L253	I162-I193 HydrophobicContact CB-CG1 4.11Å; I162-I193 HydrophobicContact CG2-CD1 4.31Å; I162-I193 HydrophobicContact CG2-CG1 3.84Å; I162-I193 HydrophobicContact CG2-CG2 4.2Å; I162-I193 CarbonylContact O-C 3.53Å; I162-I193 WeakPolarHBondContact O-CA 3.28Å; L164-I193 HydrophobicContact CB-CG2 3.69Å; F189-I193 HydrophobicContact CB-CB 4.02Å; F189-I193 HydrophobicContact CB-CG1 4.45Å; F189-I193 HydrophobicContact CD1-CD1 3.72Å; F189-I193 HydrophobicContact CD1-CG1 4.36Å; F189-I193 HydrophobicContact CE1-CD1 4.14Å; F189-I193 HydrophobicContact CG-CD1 4.2Å; F189-I193 PolarHBondContact O-N 3.29Å; I193-F195 HydrophobicContact CB-CD2 4.43Å; I193-F195 HydrophobicContact CB-CE2 4.1Å; I193-F195 HydrophobicContact CG2-CD2 4.01Å; I193-F195 HydrophobicContact CG2-CE2 3.87Å; I193-I224 HydrophobicContact CD1-CD1 4.31Å; I193-C249 HydrophobicContact CD1-CB 3.81Å; I193-L253 HydrophobicContact CD1-CD1 4Å; I193-L253 HydrophobicContact CD1-CG 4.38Å
194	L	98.4	Very high	96.7	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.01	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	129.3	170.3	-63.9	-178.7	0	0	0	109.9	V112 L141 L155 I160 I162 H163 L164	V112-L194 HydrophobicContact CG1-CD2 4.17Å; V112-L194 HydrophobicContact CG2-CD2 3.7Å; L141-L194 HydrophobicContact CD1-CD1 4.34Å; L155-L194 HydrophobicContact CD2-CB 4.46Å; L155-L194 HydrophobicContact CD2-CD1 3.95Å; I160-L194 HydrophobicContact CB-CD1 4.37Å; I160-L194 HydrophobicContact CB-CD2 4.19Å; I160-L194 HydrophobicContact CB-CG 3.91Å; I160-L194 HydrophobicContact CD1-CD2 3.84Å; I160-L194 HydrophobicContact CD1-CG 4.42Å; I160-L194 HydrophobicContact CG2-CD2 4.38Å; I160-L194 HydrophobicContact CG2-CG 3.84Å; I162-L194 PolarHBondContact O-N 3.34Å; H163-L194 CarbonylContact C-O 3.54Å; H163-L194 WeakPolarHBondContact CA-O 3.44Å; L164-L194 PolarHBondContact N-O 2.97Å
195	F	98.7	Very high	96.6	Very high	2 Å²	2	44.6 Å²	44.6	1%	0.009	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	129	178.1	-83.2	-130.6	0	0	0	109.5	M143 V144 T145 L164 Y182 A185 A186 F189 I193 V245	M143-F195 WeakPolarHBondContact O-CB 3.26Å; V144-F195 WeakPolarHBondContact CA-O 3.22Å; V144-F195 HydrophobicContact CG2-CB 4.13Å; T145-F195 PolarHBondContact N-O 3.05Å; L164-F195 HydrophobicContact CB-CD2 4.35Å; L164-F195 HydrophobicContact CB-CE2 4.38Å; L164-F195 HydrophobicContact CD2-CD1 4.01Å; L164-F195 HydrophobicContact CD2-CD2 4.42Å; L164-F195 HydrophobicContact CD2-CE1 3.54Å; L164-F195 HydrophobicContact CD2-CE2 3.97Å; L164-F195 HydrophobicContact CD2-CG 4.41Å; L164-F195 HydrophobicContact CD2-CZ 3.49Å; L164-F195 VanDerWaalsContact CD2-CZ 3.49Å; L164-F195 CarbonylContact O-C 3.58Å; L164-F195 WeakPolarHBondContact O-CA 3.27Å; Y182-F195 HydrophobicContact CD1-CD1 4.14Å; Y182-F195 AromaticContact CD2-CD1 3.88Å; Y182-F195 HydrophobicContact CD2-CD1 3.88Å; Y182-F195 HydrophobicContact CD2-CE1 4.02Å; Y182-F195 HydrophobicContact CE1-CB 3.91Å; Y182-F195 AromaticContact CE1-CD1 3.68Å; Y182-F195 HydrophobicContact CE1-CD1 3.68Å; Y182-F195 HydrophobicContact CE1-CG 4.24Å; Y182-F195 AromaticContact CE2-CD1 3.38Å; Y182-F195 HydrophobicContact CE2-CD1 3.38Å; Y182-F195 AromaticContact CE2-CE1 3.65Å; Y182-F195 HydrophobicContact CE2-CE1 3.65Å; Y182-F195 HydrophobicContact CE2-CG 4.38Å; Y182-F195 HydrophobicContact CG-CD1 4.21Å; Y182-F195 AromaticContact CZ-CD1 3.26Å; Y182-F195 AromaticContact CZ-CG 3.89Å; A185-F195 HydrophobicContact CB-CE1 4.02Å; A186-F195 VanDerWaalsContact CA-CE1 3.49Å; A186-F195 HydrophobicContact CB-CB 3.89Å; A186-F195 HydrophobicContact CB-CD1 3.45Å; A186-F195 VanDerWaalsContact CB-CD1 3.45Å; A186-F195 HydrophobicContact CB-CD2 4.06Å; A186-F195 HydrophobicContact CB-CE1 3.94Å; A186-F195 HydrophobicContact CB-CG 3.54Å; A186-F195 HydrophobicContact CB-CZ 4.46Å; F189-F195 HydrophobicContact CB-CE2 3.79Å; F189-F195 HydrophobicContact CB-CZ 4.41Å; F189-F195 AromaticContact CD2-CE2 3.89Å; F189-F195 HydrophobicContact CD2-CE2 3.89Å; F189-F195 AromaticContact CD2-CZ 3.66Å; F189-F195 HydrophobicContact CD2-CZ 3.66Å; F189-F195 HydrophobicContact CE2-CZ 4.35Å; F189-F195 HydrophobicContact CG-CE2 4.12Å; F189-F195 HydrophobicContact CG-CZ 4.35Å; I193-F195 HydrophobicContact CB-CD2 4.43Å; I193-F195 HydrophobicContact CB-CE2 4.1Å; I193-F195 HydrophobicContact CG2-CD2 4.01Å; I193-F195 HydrophobicContact CG2-CE2 3.87Å; F195-V245 HydrophobicContact CE1-CG1 3.77Å; F195-V245 HydrophobicContact CZ-CG1 3.85Å
196	I	98.6	Very high	96.4	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.015	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	131.2	-168.3	-60.3	159.2	0	0	0	109.2	T145 L155 H163 L164 L165 L166 Y182 V198	T145-I196 CarbonylContact O-C 3.56Å; T145-I196 VanDerWaalsContact O-CA 3.22Å; T145-I196 WeakPolarHBondContact O-CA 3.31Å; L155-I196 HydrophobicContact CD1-CD1 3.86Å; L155-I196 HydrophobicContact CD1-CG1 3.94Å; L155-I196 HydrophobicContact CD1-CG2 4.28Å; L155-I196 HydrophobicContact CD2-CD1 3.97Å; L155-I196 HydrophobicContact CD2-CG1 3.8Å; L155-I196 HydrophobicContact CG-CD1 4.45Å; H163-I196 HydrophobicContact CB-CD1 3.71Å; L164-I196 PolarHBondContact O-N 3.11Å; L165-I196 CarbonylContact C-O 3.47Å; L165-I196 VanDerWaalsContact CA-O 3.29Å; L165-I196 WeakPolarHBondContact CA-O 3.29Å; L165-I196 HydrophobicContact CG-CB 4.23Å; L165-I196 HydrophobicContact CG-CD1 4.36Å; L165-I196 HydrophobicContact CG-CG2 4.43Å; L166-I196 PolarHBondContact N-O 3.36Å; Y182-I196 PolarHBondContact OH-N 3.01Å; I196-V198 HydrophobicContact CG2-CG2 4.33Å
197	L	98.5	Very high	96	Very high	5 Å²	5	50.4 Å²	50.4	3%	0.026	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127.7	168.8	169.9	62.7	0	0	0	109.4	V144 T145 Y147 M168 K170 Y175 M179	V144-L197 HydrophobicContact CG1-CB 4.14Å; T145-L197 PolarHBondContact O-N 3.38Å; Y147-L197 WeakPolarHBondContact CB-O 3.42Å; Y147-L197 PolarHBondContact N-O 3.08Å; M168-L197 HydrophobicContact CG-CD1 3.92Å; K170-L197 HydrophobicContact CD-CD2 4.15Å; K170-L197 HydrophobicContact CG-CD2 4.27Å; Y175-L197 HydrophobicContact CE2-CD1 4.36Å; Y175-L197 HydrophobicContact CE2-CD2 3.86Å; Y175-L197 WeakPolarHBondContact OH-CD2 3.49Å; M179-L197 HydrophobicContact CE-CB 4.3Å; M179-L197 HydrophobicContact CE-CD1 3.75Å; M179-L197 HydrophobicContact CE-CD2 3.79Å; M179-L197 HydrophobicContact CE-CG 4.14Å
198	V	98.2	Very high	95.8	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	109.8	168.5	-176.5	0	0	0	0	108.6	Y147 L165 L166 I167 M168 I196 S200 N205 V208	Y147-V198 HydrophobicContact CG-CG2 4.3Å; L165-V198 HydrophobicContact CB-CG2 4.26Å; L165-V198 HydrophobicContact CD2-CG2 3.65Å; L165-V198 HydrophobicContact CG-CG2 4.41Å; L166-V198 PolarHBondContact O-N 3.49Å; I167-V198 HydrophobicContact CG1-CB 4.08Å; I167-V198 HydrophobicContact CG1-CG2 4.31Å; I167-V198 HydrophobicContact CG2-CB 4.47Å; M168-V198 PolarHBondContact N-O 2.78Å; I196-V198 HydrophobicContact CG2-CG2 4.33Å; V198-S200 PolarHBondContact O-N 3.02Å; V198-N205 HydrophobicContact CG1-CB 3.76Å; V198-V208 HydrophobicContact CG1-CB 4.48Å; V198-V208 HydrophobicContact CG1-CG1 4.38Å; V198-V208 HydrophobicContact CG2-CG1 4.3Å
199	D	97.9	Very high	95.7	Very high	20 Å²	20	40.2 Å²	40.2	11%	0.107	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	111.4	175.4	-175.8	13.3	0	0	0	110.6	M168 K170 G201 M202 N205	M168-D199 WeakPolarHBondContact O-CA 3.17Å; K170-D199 HydrophobicContact CD-CB 3.65Å; K170-D199 HydrophobicContact CG-CB 3.91Å; K170-D199 PolarHBondContact N-OD1 3.29Å; D199-G201 PolarHBondContact O-N 2.97Å; D199-G201 PolarHBondContact OD1-N 2.86Å; D199-M202 HydrophobicContact CB-CG 4.23Å; D199-M202 HydrophobicContact CB-SD 4.29Å; D199-M202 PolarHBondContact O-N 3.47Å; D199-N205 WeakPolarHBondContact O-CB 3.31Å; D199-N205 PolarHBondContact O-ND2 3.11Å
200	S	96.8	Very high	95.5	Very high	22 Å²	22	43.7 Å²	43.7	15%	0.154	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-12.7	177.2	73.9	0	0	0	0	113.2	M168 N169 V198 M202 L219	M168-S200 PolarHBondContact O-N 3.25Å; M168-S200 PolarHBondContact O-OG 2.95Å; N169-S200 WeakPolarHBondContact CA-OG 3.35Å; N169-S200 WeakPolarHBondContact CB-OG 3.05Å; N169-S200 PolarHBondContact N-OG 3.4Å; V198-S200 PolarHBondContact O-N 3.02Å; S200-M202 PolarHBondContact O-N 2.91Å; S200-L219 WeakPolarHBondContact OG-CD1 3.21Å
201	G	96.1	Very high	95.3	Very high	45 Å²	45	42.9 Å²	42.9	46%	0.464	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-21.9	171.4	0	0	0	0	0	112.9	D199	D199-G201 PolarHBondContact O-N 2.97Å; D199-G201 PolarHBondContact OD1-N 2.86Å
202	M	94.9	Very high	95.2	Very high	69 Å²	69	41.3 Å²	41.3	34%	0.34	23%	0.231	S	C	.	.	S	Bend	trans	-84.8	117.1	177	-72.3	-179.3	45.7	0	0	111.9	D199 S200 A204 N205	D199-M202 HydrophobicContact CB-CG 4.23Å; D199-M202 HydrophobicContact CB-SD 4.29Å; D199-M202 PolarHBondContact O-N 3.47Å; S200-M202 PolarHBondContact O-N 2.91Å; M202-A204 PolarHBondContact O-N 2.71Å; M202-A204 VanDerWaalsContact O-N 3.15Å; M202-N205 HydrophobicContact CB-CB 4.46Å; M202-N205 WeakPolarHBondContact O-CB 3.42Å; M202-N205 PolarHBondContact O-N 2.92Å
203	K	92.3	Very high	95.2	Very high	206 Å²	206	42.1 Å²	42.1	90%	0.896	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-54.8	-36.4	177.6	-67.9	-176.9	-179.5	177.2	0	113.6	N205 G206	K203-N205 PolarHBondContact O-N 2.87Å; K203-N205 VanDerWaalsContact O-N 3.17Å; K203-G206 PolarHBondContact O-N 2.98Å
204	A	91.3	Very high	95.1	Very high	74 Å²	74	42.5 Å²	42.5	61%	0.612	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-58.6	-27	178.3	0	0	0	0	0	112.9	M202 G206	M202-A204 PolarHBondContact O-N 2.71Å; M202-A204 VanDerWaalsContact O-N 3.15Å; A204-G206 VanDerWaalsContact C-N 3.32Å; A204-G206 PolarHBondContact O-N 3.24Å
205	N	93.8	Very high	94.9	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.011	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-82.7	-6.5	-179.9	-66.5	-15.1	0	0	0	113.2	Y147 V198 D199 M202 K203 K207 V208 I209	Y147-N205 WeakPolarHBondContact CD1-OD1 3.35Å; Y147-N205 WeakPolarHBondContact CE1-OD1 3.4Å; V198-N205 HydrophobicContact CG1-CB 3.76Å; D199-N205 WeakPolarHBondContact O-CB 3.31Å; D199-N205 PolarHBondContact O-ND2 3.11Å; M202-N205 HydrophobicContact CB-CB 4.46Å; M202-N205 WeakPolarHBondContact O-CB 3.42Å; M202-N205 PolarHBondContact O-N 2.92Å; K203-N205 PolarHBondContact O-N 2.87Å; K203-N205 VanDerWaalsContact O-N 3.17Å; N205-K207 PolarHBondContact O-N 2.92Å; N205-K207 VanDerWaalsContact O-N 3.14Å; N205-V208 WeakPolarHBondContact O-CB 3.22Å; N205-V208 PolarHBondContact O-N 3.47Å; N205-I209 PolarHBondContact O-N 3.47Å
206	G	93.2	Very high	94.6	Very high	27 Å²	27	56.5 Å²	56.5	28%	0.278	30%	0.3	S	S	.	.	H	α-helix	trans	-58.3	-30.2	-179.6	0	0	0	0	0	114.1	K203 A204 I209 S210	K203-G206 PolarHBondContact O-N 2.98Å; A204-G206 VanDerWaalsContact C-N 3.32Å; A204-G206 PolarHBondContact O-N 3.24Å; G206-I209 PolarHBondContact O-N 3.34Å; G206-S210 WeakPolarHBondContact O-CB 3.49Å; G206-S210 PolarHBondContact O-N 2.94Å; G206-S210 PolarHBondContact O-OG 3.1Å
207	K	91.3	Very high	94.3	Very high	98 Å²	98	60.7 Å²	60.7	43%	0.426	33%	0.33	S	S	.	.	H	α-helix	trans	-64.5	-38.5	174.3	-67.8	178.7	-178.7	-178.8	0	112	L14 N205 S210 F211	L14-K207 HydrophobicContact CB-CD 3.94Å; L14-K207 HydrophobicContact CD1-CB 4.33Å; L14-K207 HydrophobicContact CD2-CD 3.84Å; L14-K207 HydrophobicContact CD2-CG 4.5Å; L14-K207 HydrophobicContact CG-CD 4.33Å; L14-K207 PolarHBondContact O-NZ 2.91Å; N205-K207 PolarHBondContact O-N 2.92Å; N205-K207 VanDerWaalsContact O-N 3.14Å; K207-S210 PolarHBondContact O-N 3.25Å; K207-F211 PolarHBondContact O-N 3.35Å
208	V	91.6	Very high	94.2	Very high	3 Å²	3	63 Å²	63	2%	0.018	34%	0.34	C	S	.	.	H	α-helix	trans	-67.2	-45.6	177	-177.8	0	0	0	0	110.5	Y147 L165 V198 N205 S210 F211 F212	Y147-V208 HydrophobicContact CD1-CG2 4.35Å; Y147-V208 HydrophobicContact CE1-CG2 3.63Å; Y147-V208 HydrophobicContact CE2-CG2 4.27Å; L165-V208 HydrophobicContact CD2-CG1 4.07Å; V198-V208 HydrophobicContact CG1-CB 4.48Å; V198-V208 HydrophobicContact CG1-CG1 4.38Å; V198-V208 HydrophobicContact CG2-CG1 4.3Å; N205-V208 WeakPolarHBondContact O-CB 3.22Å; N205-V208 PolarHBondContact O-N 3.47Å; V208-S210 VanDerWaalsContact C-N 3.29Å; V208-S210 PolarHBondContact O-N 3.43Å; V208-F211 WeakPolarHBondContact O-CB 3.35Å; V208-F211 PolarHBondContact O-N 3.13Å; V208-F212 HydrophobicContact CG1-CD2 4.25Å; V208-F212 HydrophobicContact CG1-CE2 3.99Å; V208-F212 VanDerWaalsContact O-CD2 3.29Å; V208-F212 WeakPolarHBondContact O-CD2 3.48Å; V208-F212 PolarHBondContact O-N 2.84Å
209	I	93.4	Very high	94.1	Very high	12 Å²	12	64.5 Å²	64.5	6%	0.062	35%	0.348	C	S	.	.	H	α-helix	trans	-59	-44.2	177.7	-55.6	175.9	0	0	0	110.6	I167 N205 G206 F212 L214 L219	I167-I209 HydrophobicContact CG2-CD1 4.17Å; I167-I209 HydrophobicContact CG2-CG1 3.84Å; N205-I209 PolarHBondContact O-N 3.47Å; G206-I209 PolarHBondContact O-N 3.34Å; I209-F212 PolarHBondContact O-N 3.27Å; I209-L214 HydrophobicContact CG2-CB 3.9Å; I209-L214 PolarHBondContact O-N 3.32Å; I209-L214 VanDerWaalsContact O-N 3.15Å; I209-L219 HydrophobicContact CD1-CD1 4.35Å
210	S	93.3	Very high	94	Very high	82 Å²	82	65.5 Å²	65.5	57%	0.573	36%	0.356	S	S	*	.	H	α-helix	trans	-67.4	-35.3	179.9	-58.3	0	0	0	0	112.8	G206 K207 V208 F212 K213	G206-S210 WeakPolarHBondContact O-CB 3.49Å; G206-S210 PolarHBondContact O-N 2.94Å; G206-S210 PolarHBondContact O-OG 3.1Å; K207-S210 PolarHBondContact O-N 3.25Å; V208-S210 VanDerWaalsContact C-N 3.29Å; V208-S210 PolarHBondContact O-N 3.43Å; S210-F212 VanDerWaalsContact C-N 3.3Å; S210-F212 PolarHBondContact O-N 3.35Å; S210-K213 WeakPolarHBondContact O-CA 3.42Å; S210-K213 PolarHBondContact O-N 3.28Å
211	F	92.6	Very high	94.1	Very high	53 Å²	53	64.4 Å²	64.4	23%	0.232	35%	0.348	C	S	.	.	H	α-helix	trans	-56.8	-44.9	176.3	175.5	-90.4	0	0	0	111.5	F11 K207 V208 K213 Y225 W232	F11-F211 HydrophobicContact CE1-CD2 4.5Å; F11-F211 HydrophobicContact CE1-CG 4.39Å; F11-F211 HydrophobicContact CE2-CD1 4.39Å; F11-F211 AromaticContact CE2-CD2 3.95Å; F11-F211 HydrophobicContact CE2-CD2 3.95Å; F11-F211 HydrophobicContact CE2-CE1 4.03Å; F11-F211 AromaticContact CE2-CE2 3.55Å; F11-F211 HydrophobicContact CE2-CE2 3.55Å; F11-F211 HydrophobicContact CE2-CG 4.36Å; F11-F211 AromaticContact CE2-CZ 3.59Å; F11-F211 HydrophobicContact CE2-CZ 3.59Å; F11-F211 HydrophobicContact CZ-CB 4.39Å; F11-F211 AromaticContact CZ-CD1 3.68Å; F11-F211 HydrophobicContact CZ-CD1 3.68Å; F11-F211 AromaticContact CZ-CD2 3.62Å; F11-F211 HydrophobicContact CZ-CD2 3.62Å; F11-F211 AromaticContact CZ-CE1 3.74Å; F11-F211 HydrophobicContact CZ-CE1 3.74Å; F11-F211 AromaticContact CZ-CE2 3.68Å; F11-F211 HydrophobicContact CZ-CE2 3.68Å; F11-F211 AromaticContact CZ-CG 3.62Å; F11-F211 HydrophobicContact CZ-CG 3.62Å; F11-F211 AromaticContact CZ-CZ 3.74Å; F11-F211 HydrophobicContact CZ-CZ 3.74Å; K207-F211 PolarHBondContact O-N 3.35Å; V208-F211 WeakPolarHBondContact O-CB 3.35Å; V208-F211 PolarHBondContact O-N 3.13Å; F211-K213 PolarHBondContact O-N 3.3Å; F211-Y225 HydrophobicContact CE1-CD2 4.33Å; F211-Y225 HydrophobicContact CE1-CE2 4.44Å; F211-Y225 HydrophobicContact CZ-CE2 4.3Å; F211-W232 AromaticContact CE1-CD1 3.82Å; F211-W232 HydrophobicContact CE1-CG 4.39Å; F211-W232 AromaticContact CE1-NE1 3.99Å
212	F	94.6	Very high	94.2	Very high	4 Å²	4	62.3 Å²	62.3	2%	0.018	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	10.7	176.2	-66.3	-67.5	0	0	0	113.8	L165 I167 V208 I209 S210 L214 A223 W232 T234	L165-F212 HydrophobicContact CD1-CE2 4.24Å; L165-F212 HydrophobicContact CD1-CZ 3.94Å; L165-F212 HydrophobicContact CD2-CE2 3.83Å; L165-F212 HydrophobicContact CD2-CZ 4.31Å; I167-F212 HydrophobicContact CD1-CD2 4.24Å; V208-F212 HydrophobicContact CG1-CD2 4.25Å; V208-F212 HydrophobicContact CG1-CE2 3.99Å; V208-F212 VanDerWaalsContact O-CD2 3.29Å; V208-F212 WeakPolarHBondContact O-CD2 3.48Å; V208-F212 PolarHBondContact O-N 2.84Å; I209-F212 PolarHBondContact O-N 3.27Å; S210-F212 VanDerWaalsContact C-N 3.3Å; S210-F212 PolarHBondContact O-N 3.35Å; F212-L214 HydrophobicContact CB-CD1 4.03Å; F212-L214 HydrophobicContact CB-CG 4.22Å; F212-L214 PolarHBondContact O-N 3.45Å; F212-L214 VanDerWaalsContact O-N 3.09Å; F212-A223 HydrophobicContact CB-CB 4.27Å; F212-A223 HydrophobicContact CD1-CB 3.65Å; F212-A223 HydrophobicContact CD2-CB 3.87Å; F212-A223 HydrophobicContact CE1-CB 3.87Å; F212-A223 HydrophobicContact CE2-CB 4.1Å; F212-A223 HydrophobicContact CG-CB 3.65Å; F212-A223 HydrophobicContact CZ-CB 4.1Å; F212-W232 HydrophobicContact CD1-CB 4.15Å; F212-W232 AromaticContact CD1-CD2 3.91Å; F212-W232 HydrophobicContact CD1-CD2 3.91Å; F212-W232 AromaticContact CD1-CE3 3.88Å; F212-W232 HydrophobicContact CD1-CE3 3.88Å; F212-W232 HydrophobicContact CD1-CG 4.05Å; F212-W232 HydrophobicContact CE1-CB 3.77Å; F212-W232 HydrophobicContact CE1-CD2 4.37Å; F212-W232 HydrophobicContact CE1-CG 4.01Å; F212-T234 HydrophobicContact CB-CG2 3.82Å; F212-T234 HydrophobicContact CD1-CG2 4.31Å; F212-T234 HydrophobicContact CG-CG2 4.42Å
213	K	95.8	Very high	94.3	Very high	152 Å²	152	59 Å²	59	66%	0.661	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.1	25.8	-179	-52.3	-178.9	-172.7	165.3	0	113.7	S210 F211 W232	S210-K213 WeakPolarHBondContact O-CA 3.42Å; S210-K213 PolarHBondContact O-N 3.28Å; F211-K213 PolarHBondContact O-N 3.3Å; K213-W232 HydrophobicContact CB-CH2 4.29Å; K213-W232 HydrophobicContact CD-CH2 3.83Å; K213-W232 HydrophobicContact CD-CZ2 4.19Å; K213-W232 HydrophobicContact CG-CH2 3.84Å; K213-W232 HydrophobicContact CG-CZ2 4.18Å
214	L	95.5	Very high	94.6	Very high	11 Å²	11	49.2 Å²	49.2	6%	0.058	27%	0.267	C	S	.	.			trans	-88	152.5	178.2	-70.3	167.6	0	0	0	111	I167 I209 F212 Q218 A221 T234 P236	I167-L214 HydrophobicContact CD1-CD1 3.69Å; I209-L214 HydrophobicContact CG2-CB 3.9Å; I209-L214 PolarHBondContact O-N 3.32Å; I209-L214 VanDerWaalsContact O-N 3.15Å; F212-L214 HydrophobicContact CB-CD1 4.03Å; F212-L214 HydrophobicContact CB-CG 4.22Å; F212-L214 PolarHBondContact O-N 3.45Å; F212-L214 VanDerWaalsContact O-N 3.09Å; L214-Q218 HydrophobicContact CD2-CB 4.35Å; L214-A221 HydrophobicContact CD1-CB 3.77Å; L214-A221 HydrophobicContact CD2-CB 4.12Å; L214-T234 HydrophobicContact CD1-CG2 4.18Å; L214-T234 HydrophobicContact CD2-CG2 4.41Å; L214-T234 HydrophobicContact CG-CG2 4.21Å; L214-P236 HydrophobicContact CD2-CB 4.05Å
215	K	94.2	Very high	94.8	Very high	141 Å²	141	46.1 Å²	46.1	61%	0.613	24%	0.24	S	C	*	.			trans	-112.6	156	171.4	-61	178.2	-177.3	176.8	0	109.9	S217 Q218	K215-S217 PolarHBondContact O-N 3.3Å; K215-S217 VanDerWaalsContact O-N 3.17Å; K215-Q218 HydrophobicContact CB-CG 4.41Å; K215-Q218 WeakPolarHBondContact O-CA 3.32Å; K215-Q218 WeakPolarHBondContact O-CB 3.4Å; K215-Q218 PolarHBondContact O-N 3.43Å
216	E	92	Very high	94.8	Very high	157 Å²	157	48.4 Å²	48.4	73%	0.734	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-54.5	-36.8	175.7	-67.5	-176.6	179.1	0	0	112.6	Q218 L219	E216-Q218 PolarHBondContact O-N 2.77Å; E216-Q218 VanDerWaalsContact O-N 3.11Å; E216-L219 WeakPolarHBondContact O-CB 3.33Å; E216-L219 PolarHBondContact O-N 2.83Å; E216-L219 VanDerWaalsContact O-N 3.08Å
217	S	94.1	Very high	94.7	Very high	92 Å²	92	48.9 Å²	48.9	64%	0.643	25%	0.246	S	C	*	.	G	3₁₀ helix	trans	-69.5	-4.7	177	62	0	0	0	0	114.9	K215 K237	K215-S217 PolarHBondContact O-N 3.3Å; K215-S217 VanDerWaalsContact O-N 3.17Å; S217-K237 WeakPolarHBondContact O-CE 3.4Å
218	Q	95.8	Very high	94.5	Very high	53 Å²	53	49.8 Å²	49.8	25%	0.248	26%	0.255	C	S	.	.	G	3₁₀ helix	trans	-104.8	1.7	174.9	-64	174.5	-71.4	0	0	112.4	L214 K215 E216 P236 K237	L214-Q218 HydrophobicContact CD2-CB 4.35Å; K215-Q218 HydrophobicContact CB-CG 4.41Å; K215-Q218 WeakPolarHBondContact O-CA 3.32Å; K215-Q218 WeakPolarHBondContact O-CB 3.4Å; K215-Q218 PolarHBondContact O-N 3.43Å; E216-Q218 PolarHBondContact O-N 2.77Å; E216-Q218 VanDerWaalsContact O-N 3.11Å; Q218-P236 HydrophobicContact CB-CB 3.84Å; Q218-P236 HydrophobicContact CG-CB 4.28Å; Q218-K237 PolarHBondContact O-N 3.3Å
219	L	95.5	Very high	94.4	Very high	32 Å²	32	52.7 Å²	52.7	17%	0.168	27%	0.27	C	S	.	.			trans	-87.2	151.2	177	-54.8	-176	0	0	0	111.1	I167 S200 I209 E216 A221	I167-L219 HydrophobicContact CB-CD2 4.04Å; I167-L219 HydrophobicContact CG2-CD1 4.09Å; I167-L219 HydrophobicContact CG2-CD2 3.62Å; S200-L219 WeakPolarHBondContact OG-CD1 3.21Å; I209-L219 HydrophobicContact CD1-CD1 4.35Å; E216-L219 WeakPolarHBondContact O-CB 3.33Å; E216-L219 PolarHBondContact O-N 2.83Å; E216-L219 VanDerWaalsContact O-N 3.08Å; L219-A221 HydrophobicContact CD2-CB 3.89Å
220	P	96.9	Very high	94.1	Very high	40 Å²	40	53.9 Å²	53.9	26%	0.26	28%	0.277	S	S	.	.	S	Bend	cis	-66.1	150.5	-4.7	29.8	-35.9	0	0	0	112.5	I167 M168 K237 V238	I167-P220 WeakPolarHBondContact O-CA 3.34Å; M168-P220 HydrophobicContact CB-CB 3.87Å; P220-K237 CarbonylContact O-C 3.54Å; P220-K237 WeakPolarHBondContact O-CA 3.31Å; P220-K237 PolarHBondContact O-N 3.32Å; P220-K237 VanDerWaalsContact O-N 3.17Å; P220-V238 HydrophobicContact CB-CG1 4.47Å; P220-V238 PolarHBondContact O-N 3Å
221	A	97.8	Very high	94	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	152.2	-179.1	0	0	0	0	0	111.5	I167 L214 L219 L235	I167-A221 PolarHBondContact N-O 3.13Å; I167-A221 PolarHBondContact O-N 2.91Å; L214-A221 HydrophobicContact CD1-CB 3.77Å; L214-A221 HydrophobicContact CD2-CB 4.12Å; L219-A221 HydrophobicContact CD2-CB 3.89Å; A221-L235 WeakPolarHBondContact CA-O 3.36Å
222	L	98.4	Very high	94.2	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	141.6	163.6	-63.2	173.7	0	0	0	109.7	L164 L165 L166 Y182 T234 L235 V238 V245 F248	L164-L222 HydrophobicContact CD1-CB 4.28Å; L164-L222 HydrophobicContact CD1-CD2 4.45Å; L164-L222 HydrophobicContact CD2-CD2 4.45Å; L164-L222 HydrophobicContact CG-CD2 4.46Å; L165-L222 CarbonylContact O-C 3.55Å; L165-L222 VanDerWaalsContact O-CA 3.3Å; L165-L222 WeakPolarHBondContact O-CA 3.33Å; L166-L222 HydrophobicContact CB-CD2 4.2Å; L166-L222 HydrophobicContact CD1-CD2 4.05Å; Y182-L222 HydrophobicContact CD2-CD2 4.42Å; Y182-L222 HydrophobicContact CE2-CD2 3.87Å; L222-T234 CarbonylContact O-C 3.51Å; L222-T234 WeakPolarHBondContact O-CA 3.4Å; L222-L235 HydrophobicContact CB-CB 4.28Å; L222-L235 HydrophobicContact CD1-CD2 4.49Å; L222-L235 PolarHBondContact N-O 3.4Å; L222-L235 PolarHBondContact O-N 2.91Å; L222-V238 HydrophobicContact CD1-CG2 4.11Å; L222-V238 HydrophobicContact CG-CG1 4.14Å; L222-V238 HydrophobicContact CG-CG2 4.27Å; L222-V245 HydrophobicContact CD1-CB 4.48Å; L222-V245 HydrophobicContact CD1-CG2 3.87Å; L222-F248 HydrophobicContact CB-CD1 3.98Å; L222-F248 HydrophobicContact CB-CE1 3.85Å; L222-F248 HydrophobicContact CD1-CD1 4.05Å
223	A	97.7	Very high	94.2	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	132.9	164.8	0	0	0	0	0	108.7	L164 L165 I167 F212 D233 T234	L164-A223 CarbonylContact C-O 3.58Å; L165-A223 HydrophobicContact CB-CB 4.41Å; L165-A223 WeakPolarHBondContact CD1-O 3.49Å; L165-A223 PolarHBondContact N-O 3.3Å; L165-A223 PolarHBondContact O-N 2.91Å; I167-A223 HydrophobicContact CD1-CB 4.26Å; F212-A223 HydrophobicContact CB-CB 4.27Å; F212-A223 HydrophobicContact CD1-CB 3.65Å; F212-A223 HydrophobicContact CD2-CB 3.87Å; F212-A223 HydrophobicContact CE1-CB 3.87Å; F212-A223 HydrophobicContact CE2-CB 4.1Å; F212-A223 HydrophobicContact CG-CB 3.65Å; F212-A223 HydrophobicContact CZ-CB 4.1Å; A223-D233 CarbonylContact C-O 3.58Å; A223-D233 WeakPolarHBondContact CA-O 3.31Å; A223-T234 HydrophobicContact CB-CG2 4.06Å
224	I	97.8	Very high	94.2	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	135.5	174.2	-169.8	161	0	0	0	108.7	I162 H163 L164 I193 W232 D233 F248 F252	I162-I224 HydrophobicContact CG2-CD1 3.97Å; I162-I224 HydrophobicContact CG2-CG1 3.93Å; H163-I224 CarbonylContact O-C 3.53Å; H163-I224 WeakPolarHBondContact O-CA 3.32Å; L164-I224 HydrophobicContact CD1-CB 3.95Å; L164-I224 HydrophobicContact CD1-CD1 4.43Å; L164-I224 HydrophobicContact CD1-CG1 4.4Å; I193-I224 HydrophobicContact CD1-CD1 4.31Å; I224-W232 CarbonylContact O-C 3.51Å; I224-W232 WeakPolarHBondContact O-CA 3.45Å; I224-W232 WeakPolarHBondContact O-CB 3.31Å; I224-D233 HydrophobicContact CG2-CB 4.04Å; I224-D233 PolarHBondContact N-O 2.92Å; I224-D233 PolarHBondContact O-N 3.43Å; I224-F248 HydrophobicContact CB-CE1 3.81Å; I224-F248 HydrophobicContact CB-CZ 4.29Å; I224-F248 HydrophobicContact CG2-CD1 4.48Å; I224-F248 HydrophobicContact CG2-CE1 3.64Å; I224-F248 HydrophobicContact CG2-CE2 4.46Å; I224-F248 HydrophobicContact CG2-CZ 3.62Å; I224-F252 HydrophobicContact CB-CG 4.45Å; I224-F252 HydrophobicContact CD1-CB 3.85Å; I224-F252 HydrophobicContact CD1-CD1 3.61Å; I224-F252 HydrophobicContact CD1-CE1 4.36Å; I224-F252 HydrophobicContact CD1-CG 3.84Å; I224-F252 HydrophobicContact CG1-CD1 3.8Å; I224-F252 HydrophobicContact CG1-CE1 4.09Å; I224-F252 HydrophobicContact CG1-CG 4.06Å; I224-F252 HydrophobicContact CG2-CB 3.92Å; I224-F252 HydrophobicContact CG2-CD1 4.16Å; I224-F252 HydrophobicContact CG2-CD2 3.43Å; I224-F252 VanDerWaalsContact CG2-CD2 3.43Å; I224-F252 HydrophobicContact CG2-CE2 3.91Å; I224-F252 HydrophobicContact CG2-CG 3.57Å; I224-F252 HydrophobicContact CG2-CZ 4.46Å
225	Y	95.1	Very high	94.2	Very high	9 Å²	9	50 Å²	50	4%	0.035	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	136.8	-173.5	170.1	-105.4	0	0	0	109.9	F156 I162 H163 F211 T227 D230 E231 W232	F156-Y225 AromaticContact CE1-CE1 3.99Å; F156-Y225 HydrophobicContact CE1-CE1 3.99Å; F156-Y225 AromaticContact CZ-CE1 3.97Å; F156-Y225 HydrophobicContact CZ-CE1 3.97Å; I162-Y225 WeakPolarHBondContact CA-O 3.5Å; H163-Y225 HydrophobicContact CB-CD1 4.45Å; H163-Y225 PolarHBondContact N-O 3.46Å; H163-Y225 PolarHBondContact O-N 2.91Å; F211-Y225 HydrophobicContact CE1-CD2 4.33Å; F211-Y225 HydrophobicContact CE1-CE2 4.44Å; F211-Y225 HydrophobicContact CZ-CE2 4.3Å; Y225-T227 HydrophobicContact CD1-CG2 4.07Å; Y225-T227 HydrophobicContact CE1-CG2 3.6Å; Y225-D230 HydrophobicContact CE2-CB 4.08Å; Y225-D230 PolarHBondContact OH-OD1 3.42Å; Y225-E231 CarbonylContact C-O 3.58Å; Y225-E231 WeakPolarHBondContact CA-O 3.24Å; Y225-W232 HydrophobicContact CD2-CB 4.16Å
226	R	94.6	Very high	94.3	Very high	51 Å²	51	45.6 Å²	45.6	19%	0.192	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	120.1	172.1	-175.3	166.6	59.1	-125.6	7.3	109.7	Q161 I162 L228 D229 D230 E231 F252	Q161-R226 WeakPolarHBondContact O-CA 3.3Å; I162-R226 HydrophobicContact CG1-CG 4.24Å; R226-L228 VanDerWaalsContact C-N 3.26Å; R226-L228 HydrophobicContact CG-CB 4.28Å; R226-L228 PolarHBondContact O-N 2.99Å; R226-D229 IonicContact CZ-OD1 2.62Å; R226-D229 IonicContact CZ-OD2 3.24Å; R226-D229 IonicContact NE-OD1 3.73Å; R226-D229 PolarHBondContact NE-OD1 2.86Å; R226-D229 IonicContact NE-OD2 2.69Å; R226-D229 PolarHBondContact NE-OD2 3.38Å; R226-D229 VanDerWaalsContact NE-OD2 3.13Å; R226-D229 IonicContact NH2-OD1 2.72Å; R226-D229 PolarHBondContact NH2-OD1 3.41Å; R226-D229 IonicContact NH2-OD2 2.83Å; R226-D229 PolarHBondContact NH2-OD2 2.66Å; R226-D230 WeakPolarHBondContact O-CA 3.44Å; R226-D230 PolarHBondContact O-N 3.45Å; R226-D230 VanDerWaalsContact O-N 3.09Å; R226-E231 IonicContact CZ-OE2 3.08Å; R226-E231 PolarHBondContact N-O 3.21Å; R226-E231 VanDerWaalsContact NH2-CD 3.31Å; R226-E231 IonicContact NH2-OE2 3.38Å; R226-E231 PolarHBondContact NH2-OE2 3.02Å; R226-F252 HydrophobicContact CB-CE1 4.13Å; R226-F252 HydrophobicContact CB-CZ 4.08Å
227	T	90.6	Very high	94.2	Very high	36 Å²	36	45.5 Å²	45.5	22%	0.221	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-24.6	-173.4	61.1	0	0	0	0	113.1	F156 Q161 H163 Y225	F156-T227 HydrophobicContact CD1-CG2 4.14Å; F156-T227 HydrophobicContact CE1-CG2 4.01Å; Q161-T227 WeakPolarHBondContact CA-OG1 3.22Å; Q161-T227 VanDerWaalsContact CB-OG1 3.29Å; Q161-T227 WeakPolarHBondContact CB-OG1 3.35Å; Q161-T227 PolarHBondContact O-N 3.36Å; Q161-T227 PolarHBondContact O-OG1 3.26Å; H163-T227 VanDerWaalsContact CE1-CG2 3.44Å; H163-T227 WeakPolarHBondContact CE1-CG2 3.35Å; Y225-T227 HydrophobicContact CD1-CG2 4.07Å; Y225-T227 HydrophobicContact CE1-CG2 3.6Å
228	L	87.9	Confident	93.9	Very high	118 Å²	118	41.6 Å²	41.6	62%	0.618	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-41.5	-174.1	-173.7	62.1	0	0	0	113.7	R226	R226-L228 VanDerWaalsContact C-N 3.26Å; R226-L228 HydrophobicContact CG-CB 4.28Å; R226-L228 PolarHBondContact O-N 2.99Å
229	D	88.5	Confident	93.6	Very high	63 Å²	63	45.3 Å²	45.3	34%	0.337	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-129.9	5.6	-170.6	54.6	6.3	0	0	0	113.5	R226 E231	R226-D229 IonicContact CZ-OD1 2.62Å; R226-D229 IonicContact CZ-OD2 3.24Å; R226-D229 IonicContact NE-OD1 3.73Å; R226-D229 PolarHBondContact NE-OD1 2.86Å; R226-D229 IonicContact NE-OD2 2.69Å; R226-D229 PolarHBondContact NE-OD2 3.38Å; R226-D229 VanDerWaalsContact NE-OD2 3.13Å; R226-D229 IonicContact NH2-OD1 2.72Å; R226-D229 PolarHBondContact NH2-OD1 3.41Å; R226-D229 IonicContact NH2-OD2 2.83Å; R226-D229 PolarHBondContact NH2-OD2 2.66Å; D229-E231 HydrophobicContact CB-CG 4.46Å; D229-E231 PolarHBondContact O-N 2.78Å; D229-E231 PolarHBondContact OD1-N 2.84Å
230	D	87.8	Confident	93.4	Very high	37 Å²	37	43.8 Å²	43.8	20%	0.198	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	23.5	-175.4	-54.2	-60.3	0	0	0	114.3	R7 Y225 R226	R7-D230 WeakPolarHBondContact CD-OD2 3.35Å; R7-D230 IonicContact CZ-OD2 3.41Å; R7-D230 IonicContact NE-OD2 3.71Å; R7-D230 IonicContact NH1-OD2 3.67Å; R7-D230 PolarHBondContact NH1-OD2 3.39Å; Y225-D230 HydrophobicContact CE2-CB 4.08Å; Y225-D230 PolarHBondContact OH-OD1 3.42Å; R226-D230 WeakPolarHBondContact O-CA 3.44Å; R226-D230 PolarHBondContact O-N 3.45Å; R226-D230 VanDerWaalsContact O-N 3.09Å
231	E	92	Very high	93.3	Very high	51 Å²	51	43.2 Å²	43.2	24%	0.238	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	134.1	174.5	-70.7	-162.7	162.4	0	0	110.6	Y225 R226 D229 F252 L258 R262	Y225-E231 CarbonylContact C-O 3.58Å; Y225-E231 WeakPolarHBondContact CA-O 3.24Å; R226-E231 IonicContact CZ-OE2 3.08Å; R226-E231 PolarHBondContact N-O 3.21Å; R226-E231 VanDerWaalsContact NH2-CD 3.31Å; R226-E231 IonicContact NH2-OE2 3.38Å; R226-E231 PolarHBondContact NH2-OE2 3.02Å; D229-E231 HydrophobicContact CB-CG 4.46Å; D229-E231 PolarHBondContact O-N 2.78Å; D229-E231 PolarHBondContact OD1-N 2.84Å; E231-F252 HydrophobicContact CB-CZ 4.46Å; E231-L258 WeakPolarHBondContact OE2-CD1 3.23Å; E231-R262 IonicContact OE1-NH2 3.53Å
232	W	95.1	Very high	93.1	Very high	65 Å²	65	46.3 Å²	46.3	25%	0.246	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	160.5	177.6	58.9	-94.7	0	0	0	112.8	F211 F212 K213 I224 Y225 T234	F211-W232 AromaticContact CE1-CD1 3.82Å; F211-W232 HydrophobicContact CE1-CG 4.39Å; F211-W232 AromaticContact CE1-NE1 3.99Å; F212-W232 HydrophobicContact CD1-CB 4.15Å; F212-W232 AromaticContact CD1-CD2 3.91Å; F212-W232 HydrophobicContact CD1-CD2 3.91Å; F212-W232 AromaticContact CD1-CE3 3.88Å; F212-W232 HydrophobicContact CD1-CE3 3.88Å; F212-W232 HydrophobicContact CD1-CG 4.05Å; F212-W232 HydrophobicContact CE1-CB 3.77Å; F212-W232 HydrophobicContact CE1-CD2 4.37Å; F212-W232 HydrophobicContact CE1-CG 4.01Å; K213-W232 HydrophobicContact CB-CH2 4.29Å; K213-W232 HydrophobicContact CD-CH2 3.83Å; K213-W232 HydrophobicContact CD-CZ2 4.19Å; K213-W232 HydrophobicContact CG-CH2 3.84Å; K213-W232 HydrophobicContact CG-CZ2 4.18Å; I224-W232 CarbonylContact O-C 3.51Å; I224-W232 WeakPolarHBondContact O-CA 3.45Å; I224-W232 WeakPolarHBondContact O-CB 3.31Å; Y225-W232 HydrophobicContact CD2-CB 4.16Å; W232-T234 HydrophobicContact CE3-CG2 3.93Å; W232-T234 HydrophobicContact CZ3-CG2 3.76Å
233	D	95.8	Very high	93	Very high	12 Å²	12	52.6 Å²	52.6	6%	0.064	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	163.8	170.7	-164.9	14.6	0	0	0	110.8	A223 I224 F248 F252 L257 N261	A223-D233 CarbonylContact C-O 3.58Å; A223-D233 WeakPolarHBondContact CA-O 3.31Å; I224-D233 HydrophobicContact CG2-CB 4.04Å; I224-D233 PolarHBondContact N-O 2.92Å; I224-D233 PolarHBondContact O-N 3.43Å; D233-F248 HydrophobicContact CB-CE2 4.37Å; D233-F248 HydrophobicContact CB-CZ 4.26Å; D233-F252 HydrophobicContact CB-CD2 4.18Å; D233-F252 HydrophobicContact CB-CE2 4.49Å; D233-L257 VanDerWaalsContact OD2-CB 3.25Å; D233-L257 WeakPolarHBondContact OD2-CB 3.24Å; D233-L257 WeakPolarHBondContact OD2-CD1 3.28Å; D233-N261 PolarHBondContact OD1-ND2 2.75Å
234	T	96.3	Very high	92.8	Very high	32 Å²	32	56.2 Å²	56.2	20%	0.196	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	143.4	-177.4	58.8	0	0	0	0	112.7	F212 L214 L222 A223 W232	F212-T234 HydrophobicContact CB-CG2 3.82Å; F212-T234 HydrophobicContact CD1-CG2 4.31Å; F212-T234 HydrophobicContact CG-CG2 4.42Å; L214-T234 HydrophobicContact CD1-CG2 4.18Å; L214-T234 HydrophobicContact CD2-CG2 4.41Å; L214-T234 HydrophobicContact CG-CG2 4.21Å; L222-T234 CarbonylContact O-C 3.51Å; L222-T234 WeakPolarHBondContact O-CA 3.4Å; A223-T234 HydrophobicContact CB-CG2 4.06Å; W232-T234 HydrophobicContact CE3-CG2 3.93Å; W232-T234 HydrophobicContact CZ3-CG2 3.76Å
235	L	95.1	Very high	92.7	Very high	61 Å²	61	56.2 Å²	56.2	32%	0.319	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	95.4	168.5	-174.6	62.8	0	0	0	109.3	A221 L222 V238 F248	A221-L235 WeakPolarHBondContact CA-O 3.36Å; L222-L235 HydrophobicContact CB-CB 4.28Å; L222-L235 HydrophobicContact CD1-CD2 4.49Å; L222-L235 PolarHBondContact N-O 3.4Å; L222-L235 PolarHBondContact O-N 2.91Å; L235-V238 HydrophobicContact CD2-CB 4.38Å; L235-V238 HydrophobicContact CD2-CG2 3.63Å; L235-V238 HydrophobicContact CG-CB 4.31Å; L235-V238 HydrophobicContact CG-CG2 4.09Å; L235-F248 HydrophobicContact CB-CD2 4.05Å; L235-F248 HydrophobicContact CB-CE1 4.47Å; L235-F248 HydrophobicContact CB-CE2 3.95Å; L235-F248 HydrophobicContact CB-CG 4.37Å; L235-F248 HydrophobicContact CB-CZ 4.16Å; L235-F248 HydrophobicContact CD2-CB 4.4Å; L235-F248 HydrophobicContact CD2-CD2 4.44Å; L235-F248 HydrophobicContact CD2-CG 4.4Å
236	P	95.2	Very high	92.8	Very high	49 Å²	49	59.3 Å²	59.3	32%	0.318	29%	0.292	S	S	.	.			trans	-76	156.7	180	30.6	-34.7	0	0	0	112.3	L214 Q218 V238	L214-P236 HydrophobicContact CD2-CB 4.05Å; Q218-P236 HydrophobicContact CB-CB 3.84Å; Q218-P236 HydrophobicContact CG-CB 4.28Å; P236-V238 PolarHBondContact O-N 2.97Å
237	K	91	Very high	92.8	Very high	155 Å²	155	61.1 Å²	61.1	67%	0.674	31%	0.306	S	S	*	.	S	Bend	trans	50.6	43.5	178.8	-59.7	-176.3	177.7	-177.5	0	112.3	S217 Q218 P220	S217-K237 WeakPolarHBondContact O-CE 3.4Å; Q218-K237 PolarHBondContact O-N 3.3Å; P220-K237 CarbonylContact O-C 3.54Å; P220-K237 WeakPolarHBondContact O-CA 3.31Å; P220-K237 PolarHBondContact O-N 3.32Å; P220-K237 VanDerWaalsContact O-N 3.17Å
238	V	86.8	Confident	93.1	Very high	10 Å²	10	60 Å²	60	6%	0.061	30%	0.298	C	S	.	.			trans	-74.2	133.5	-174	71.4	0	0	0	0	110	P220 L222 L235 P236 V240	P220-V238 HydrophobicContact CB-CG1 4.47Å; P220-V238 PolarHBondContact O-N 3Å; L222-V238 HydrophobicContact CD1-CG2 4.11Å; L222-V238 HydrophobicContact CG-CG1 4.14Å; L222-V238 HydrophobicContact CG-CG2 4.27Å; L235-V238 HydrophobicContact CD2-CB 4.38Å; L235-V238 HydrophobicContact CD2-CG2 3.63Å; L235-V238 HydrophobicContact CG-CB 4.31Å; L235-V238 HydrophobicContact CG-CG2 4.09Å; P236-V238 PolarHBondContact O-N 2.97Å; V238-V240 HydrophobicContact CG1-CG2 3.99Å
239	E	89.9	Confident	93.5	Very high	131 Å²	131	54.4 Å²	54.4	61%	0.612	27%	0.268	S	S	*	.			trans	-84.2	109.6	158.8	-173.5	-179.2	174.3	0	0	107.6	S241 H244	E239-S241 PolarHBondContact O-N 3.48Å; E239-H244 PolarHBondContact O-ND1 2.96Å
240	V	91.8	Very high	93.8	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.269	C	S	.	.			trans	-68.5	107.5	-176.8	-174.7	0	0	0	0	108.9	L166 N178 R181 V238 V245	L166-V240 HydrophobicContact CD1-CG2 3.82Å; N178-V240 HydrophobicContact CB-CB 4.06Å; N178-V240 HydrophobicContact CB-CG2 4.04Å; N178-V240 WeakPolarHBondContact OD1-CB 3.29Å; R181-V240 HydrophobicContact CB-CG1 4.26Å; R181-V240 WeakPolarHBondContact CD-O 3.41Å; R181-V240 PolarHBondContact NH1-O 2.98Å; V238-V240 HydrophobicContact CG1-CG2 3.99Å; V240-V245 HydrophobicContact CG1-CG2 4.31Å
241	S	94.1	Very high	94.1	Very high	27 Å²	27	53.3 Å²	53.3	19%	0.189	27%	0.265	C	S	.	.			trans	-131.4	155.7	169.7	81.3	0	0	0	0	108.7	E239 E243 H244 V245	E239-S241 PolarHBondContact O-N 3.48Å; S241-E243 PolarHBondContact O-N 3.41Å; S241-H244 PolarHBondContact O-N 3.45Å; S241-H244 WeakPolarHBondContact OG-CB 3.49Å; S241-H244 PolarHBondContact OG-N 3.02Å; S241-H244 PolarHBondContact OG-ND1 3.19Å; S241-H244 VanDerWaalsContact OG-ND1 3.16Å; S241-V245 VanDerWaalsContact O-CG2 3.31Å; S241-V245 WeakPolarHBondContact O-CG2 3.38Å; S241-V245 PolarHBondContact O-N 3.03Å
242	I	94.4	Very high	94.2	Very high	65 Å²	65	50.9 Å²	50.9	33%	0.333	25%	0.254	S	S	.	.	H	α-helix	trans	-59	-41.7	178.9	-61.5	171.5	0	0	0	110.2	K184 A185 L188 Q246	K184-I242 HydrophobicContact CB-CD1 3.74Å; K184-I242 HydrophobicContact CB-CG1 4.16Å; K184-I242 HydrophobicContact CD-CD1 4.02Å; A185-I242 HydrophobicContact CB-CG2 4.43Å; L188-I242 HydrophobicContact CD1-CG2 3.72Å; I242-Q246 VanDerWaalsContact O-CB 3.27Å; I242-Q246 WeakPolarHBondContact O-CB 3.41Å; I242-Q246 PolarHBondContact O-N 2.96Å
243	E	94.8	Very high	94	Very high	132 Å²	132	51.6 Å²	51.6	62%	0.617	26%	0.262	S	S	*	.	H	α-helix	trans	-64.4	-46.7	179.3	-178.7	179.6	179.4	0	0	112.3	S241 V245 Q246 N247	S241-E243 PolarHBondContact O-N 3.41Å; E243-V245 PolarHBondContact O-N 3.41Å; E243-Q246 PolarHBondContact O-N 2.95Å; E243-N247 WeakPolarHBondContact O-CB 3.29Å; E243-N247 PolarHBondContact O-N 2.82Å; E243-N247 PolarHBondContact O-ND2 2.96Å
244	H	93.9	Very high	93.7	Very high	76 Å²	76	54 Å²	54	35%	0.352	28%	0.279	S	S	.	.	H	α-helix	trans	-63.8	-43.3	179.2	-68.7	152.7	0	0	0	111.9	E239 S241 F248	E239-H244 PolarHBondContact O-ND1 2.96Å; S241-H244 PolarHBondContact O-N 3.45Å; S241-H244 WeakPolarHBondContact OG-CB 3.49Å; S241-H244 PolarHBondContact OG-N 3.02Å; S241-H244 PolarHBondContact OG-ND1 3.19Å; S241-H244 VanDerWaalsContact OG-ND1 3.16Å; H244-F248 WeakPolarHBondContact O-CB 3.44Å; H244-F248 PolarHBondContact O-N 2.86Å
245	V	96.6	Very high	93.1	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.4	-48.5	175.9	172.1	0	0	0	0	110.2	L164 Y182 A185 F195 L222 V240 S241 E243 F248 C249	L164-V245 HydrophobicContact CD2-CG1 3.71Å; Y182-V245 HydrophobicContact CD2-CG2 4.3Å; A185-V245 HydrophobicContact CB-CB 3.95Å; A185-V245 HydrophobicContact CB-CG1 3.65Å; A185-V245 HydrophobicContact CB-CG2 4.37Å; F195-V245 HydrophobicContact CE1-CG1 3.77Å; F195-V245 HydrophobicContact CZ-CG1 3.85Å; L222-V245 HydrophobicContact CD1-CB 4.48Å; L222-V245 HydrophobicContact CD1-CG2 3.87Å; V240-V245 HydrophobicContact CG1-CG2 4.31Å; S241-V245 VanDerWaalsContact O-CG2 3.31Å; S241-V245 WeakPolarHBondContact O-CG2 3.38Å; S241-V245 PolarHBondContact O-N 3.03Å; E243-V245 PolarHBondContact O-N 3.41Å; V245-F248 PolarHBondContact O-N 2.8Å; V245-C249 PolarHBondContact O-N 2.74Å; V245-C249 PolarHBondContact O-SG 3.47Å; V245-C249 VanDerWaalsContact O-SG 3.34Å
246	Q	95.8	Very high	92.1	Very high	75 Å²	75	56.9 Å²	56.9	35%	0.35	29%	0.293	S	S	.	.	H	α-helix	trans	-61.5	-48.9	-179.5	-178.1	176.5	-11.6	0	0	111.9	F189 I242 E243 F248 C249 D250	F189-Q246 HydrophobicContact CE2-CB 4.38Å; F189-Q246 HydrophobicContact CE2-CG 4.45Å; F189-Q246 HydrophobicContact CZ-CB 4.32Å; F189-Q246 HydrophobicContact CZ-CG 4.02Å; I242-Q246 VanDerWaalsContact O-CB 3.27Å; I242-Q246 WeakPolarHBondContact O-CB 3.41Å; I242-Q246 PolarHBondContact O-N 2.96Å; E243-Q246 PolarHBondContact O-N 2.95Å; Q246-F248 VanDerWaalsContact C-N 3.28Å; Q246-F248 PolarHBondContact O-N 3.48Å; Q246-C249 PolarHBondContact O-N 3.42Å; Q246-D250 WeakPolarHBondContact CG-OD2 3.24Å; Q246-D250 WeakPolarHBondContact O-CB 3.31Å; Q246-D250 VanDerWaalsContact O-CG 3.31Å; Q246-D250 PolarHBondContact O-N 2.93Å
247	N	95.2	Very high	90.8	Very high	89 Å²	89	56.1 Å²	56.1	48%	0.476	29%	0.286	S	S	.	.	H	α-helix	trans	-59	-40.4	179	-73.4	-21.9	0	0	0	111.9	E243 G251	E243-N247 WeakPolarHBondContact O-CB 3.29Å; E243-N247 PolarHBondContact O-N 2.82Å; E243-N247 PolarHBondContact O-ND2 2.96Å; N247-G251 PolarHBondContact O-N 3.1Å
248	F	96.3	Very high	89.3	Confident	13 Å²	13	50.1 Å²	50.1	6%	0.057	26%	0.262	C	S	.	.	H	α-helix	trans	-66	-47.8	177.5	-175.5	-120.6	0	0	0	111.8	L164 L222 I224 D233 L235 H244 V245 Q246 G251 F252 L257	L164-F248 HydrophobicContact CD1-CD1 3.88Å; L164-F248 HydrophobicContact CD1-CE1 3.93Å; L222-F248 HydrophobicContact CB-CD1 3.98Å; L222-F248 HydrophobicContact CB-CE1 3.85Å; L222-F248 HydrophobicContact CD1-CD1 4.05Å; I224-F248 HydrophobicContact CB-CE1 3.81Å; I224-F248 HydrophobicContact CB-CZ 4.29Å; I224-F248 HydrophobicContact CG2-CD1 4.48Å; I224-F248 HydrophobicContact CG2-CE1 3.64Å; I224-F248 HydrophobicContact CG2-CE2 4.46Å; I224-F248 HydrophobicContact CG2-CZ 3.62Å; D233-F248 HydrophobicContact CB-CE2 4.37Å; D233-F248 HydrophobicContact CB-CZ 4.26Å; L235-F248 HydrophobicContact CB-CD2 4.05Å; L235-F248 HydrophobicContact CB-CE1 4.47Å; L235-F248 HydrophobicContact CB-CE2 3.95Å; L235-F248 HydrophobicContact CB-CG 4.37Å; L235-F248 HydrophobicContact CB-CZ 4.16Å; L235-F248 HydrophobicContact CD2-CB 4.4Å; L235-F248 HydrophobicContact CD2-CD2 4.44Å; L235-F248 HydrophobicContact CD2-CG 4.4Å; H244-F248 WeakPolarHBondContact O-CB 3.44Å; H244-F248 PolarHBondContact O-N 2.86Å; V245-F248 PolarHBondContact O-N 2.8Å; Q246-F248 VanDerWaalsContact C-N 3.28Å; Q246-F248 PolarHBondContact O-N 3.48Å; F248-G251 PolarHBondContact O-N 3.21Å; F248-F252 PolarHBondContact O-N 2.89Å; F248-F252 VanDerWaalsContact O-N 3.09Å; F248-L257 HydrophobicContact CD2-CD1 3.67Å; F248-L257 HydrophobicContact CE2-CD1 3.79Å; F248-L257 WeakPolarHBondContact O-CD1 3.21Å
249	C	96.6	Very high	87.9	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-59.4	-49.6	175.4	-70.4	0	0	0	0	112.2	F189 I193 V245 Q246 G251 F252 L253	F189-C249 HydrophobicContact CD1-CB 4.45Å; F189-C249 HydrophobicContact CE1-CB 3.68Å; F189-C249 HydrophobicContact CE2-CB 4.09Å; F189-C249 HydrophobicContact CZ-CB 3.46Å; F189-C249 VanDerWaalsContact CZ-CB 3.46Å; I193-C249 HydrophobicContact CD1-CB 3.81Å; V245-C249 PolarHBondContact O-N 2.74Å; V245-C249 PolarHBondContact O-SG 3.47Å; V245-C249 VanDerWaalsContact O-SG 3.34Å; Q246-C249 PolarHBondContact O-N 3.42Å; C249-G251 VanDerWaalsContact C-N 3.3Å; C249-G251 PolarHBondContact O-N 3.12Å; C249-F252 PolarHBondContact O-N 3.42Å; C249-L253 WeakPolarHBondContact O-CB 3.49Å; C249-L253 VanDerWaalsContact O-CG 3.28Å; C249-L253 WeakPolarHBondContact O-CG 3.43Å; C249-L253 PolarHBondContact O-N 3.38Å
250	D	95	Very high	86.5	Confident	66 Å²	66	55.7 Å²	55.7	35%	0.353	29%	0.285	S	S	.	.	H	α-helix	trans	-64.5	-36.1	-178.9	-70.5	-16.8	0	0	0	111.7	Q246 S254	Q246-D250 WeakPolarHBondContact CG-OD2 3.24Å; Q246-D250 WeakPolarHBondContact O-CB 3.31Å; Q246-D250 VanDerWaalsContact O-CG 3.31Å; Q246-D250 PolarHBondContact O-N 2.93Å; D250-S254 VanDerWaalsContact O-CB 3.3Å; D250-S254 WeakPolarHBondContact O-CB 3.02Å; D250-S254 PolarHBondContact O-N 3Å; D250-S254 PolarHBondContact O-OG 3.26Å
251	G	94.4	Very high	84.8	Confident	10 Å²	10	58.8 Å²	58.8	10%	0.103	30%	0.301	C	S	.	.	H	α-helix	trans	-61.9	-41.7	173.7	0	0	0	0	0	112.8	N247 F248 C249 S254 G255 K256 L257	N247-G251 PolarHBondContact O-N 3.1Å; F248-G251 PolarHBondContact O-N 3.21Å; C249-G251 VanDerWaalsContact C-N 3.3Å; C249-G251 PolarHBondContact O-N 3.12Å; G251-S254 PolarHBondContact O-OG 3.14Å; G251-G255 PolarHBondContact O-N 3.46Å; G251-K256 PolarHBondContact O-N 3.19Å; G251-L257 PolarHBondContact O-N 3.09Å
252	F	94	Very high	83	Confident	1 Å²	1	64.9 Å²	64.9	0%	0.004	32%	0.32	C	S	.	.	H	α-helix	trans	-70.5	-47.3	176.9	-174.8	-98.8	0	0	0	111.6	I162 I224 R226 E231 D233 F248 C249 S254 G255 L257 L258	I162-F252 HydrophobicContact CG2-CE1 4.35Å; I224-F252 HydrophobicContact CB-CG 4.45Å; I224-F252 HydrophobicContact CD1-CB 3.85Å; I224-F252 HydrophobicContact CD1-CD1 3.61Å; I224-F252 HydrophobicContact CD1-CE1 4.36Å; I224-F252 HydrophobicContact CD1-CG 3.84Å; I224-F252 HydrophobicContact CG1-CD1 3.8Å; I224-F252 HydrophobicContact CG1-CE1 4.09Å; I224-F252 HydrophobicContact CG1-CG 4.06Å; I224-F252 HydrophobicContact CG2-CB 3.92Å; I224-F252 HydrophobicContact CG2-CD1 4.16Å; I224-F252 HydrophobicContact CG2-CD2 3.43Å; I224-F252 VanDerWaalsContact CG2-CD2 3.43Å; I224-F252 HydrophobicContact CG2-CE2 3.91Å; I224-F252 HydrophobicContact CG2-CG 3.57Å; I224-F252 HydrophobicContact CG2-CZ 4.46Å; R226-F252 HydrophobicContact CB-CE1 4.13Å; R226-F252 HydrophobicContact CB-CZ 4.08Å; E231-F252 HydrophobicContact CB-CZ 4.46Å; D233-F252 HydrophobicContact CB-CD2 4.18Å; D233-F252 HydrophobicContact CB-CE2 4.49Å; F248-F252 PolarHBondContact O-N 2.89Å; F248-F252 VanDerWaalsContact O-N 3.09Å; C249-F252 PolarHBondContact O-N 3.42Å; F252-S254 VanDerWaalsContact C-N 3.28Å; F252-S254 PolarHBondContact O-N 3.4Å; F252-G255 PolarHBondContact O-N 2.63Å; F252-L257 HydrophobicContact CB-CD1 4.13Å; F252-L258 HydrophobicContact CE2-CD1 4.48Å
253	L	91	Very high	80.8	Confident	79 Å²	79	66.7 Å²	66.7	41%	0.414	33%	0.327	S	S	.	.	H	α-helix	trans	-61.7	-34.4	179.5	-69.4	174.9	0	0	0	112.7	I162 F189 I193 C249 G255	I162-L253 HydrophobicContact CD1-CD2 3.36Å; F189-L253 HydrophobicContact CE1-CD1 4.47Å; I193-L253 HydrophobicContact CD1-CD1 4Å; I193-L253 HydrophobicContact CD1-CG 4.38Å; C249-L253 WeakPolarHBondContact O-CB 3.49Å; C249-L253 VanDerWaalsContact O-CG 3.28Å; C249-L253 WeakPolarHBondContact O-CG 3.43Å; C249-L253 PolarHBondContact O-N 3.38Å; L253-G255 VanDerWaalsContact C-N 3.27Å; L253-G255 PolarHBondContact O-N 2.93Å
254	S	90.4	Very high	78.9	Confident	63 Å²	63	63.4 Å²	63.4	44%	0.441	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-3.1	175.9	61.1	0	0	0	0	114.1	D250 G251 F252 K256	D250-S254 VanDerWaalsContact O-CB 3.3Å; D250-S254 WeakPolarHBondContact O-CB 3.02Å; D250-S254 PolarHBondContact O-N 3Å; D250-S254 PolarHBondContact O-OG 3.26Å; G251-S254 PolarHBondContact O-OG 3.14Å; F252-S254 VanDerWaalsContact C-N 3.28Å; F252-S254 PolarHBondContact O-N 3.4Å; S254-K256 PolarHBondContact O-N 3.3Å; S254-K256 WeakPolarHBondContact OG-CD 3.2Å; S254-K256 WeakPolarHBondContact OG-CG 3.4Å
255	G	82.1	Confident	76.9	Confident	23 Å²	23	66 Å²	66	24%	0.237	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	66.8	18.2	-177.5	0	0	0	0	0	114.1	G251 F252 L253 K259	G251-G255 PolarHBondContact O-N 3.46Å; F252-G255 PolarHBondContact O-N 2.63Å; L253-G255 VanDerWaalsContact C-N 3.27Å; L253-G255 PolarHBondContact O-N 2.93Å; G255-K259 WeakPolarHBondContact O-CG 3.47Å
256	K	74.6	Confident	74.6	Confident	131 Å²	131	74.3 Å²	74.3	57%	0.57	37%	0.37	S	S	*	.	H	α-helix	trans	-75	-44.9	179.5	-72.8	178.6	-177.8	176.8	0	111.6	G251 S254 L258 K259 E260	G251-K256 PolarHBondContact O-N 3.19Å; S254-K256 PolarHBondContact O-N 3.3Å; S254-K256 WeakPolarHBondContact OG-CD 3.2Å; S254-K256 WeakPolarHBondContact OG-CG 3.4Å; K256-L258 PolarHBondContact O-N 3.31Å; K256-K259 PolarHBondContact O-N 2.86Å; K256-E260 PolarHBondContact O-N 3.2Å
257	L	67.6	Low	72.3	Confident	33 Å²	33	78.1 Å²	78.1	17%	0.173	39%	0.385	C	S	.	.	H	α-helix	trans	-63.7	-39.7	-175.2	-67.8	175.7	0	0	0	113.3	D233 F248 G251 F252 K259 E260 N261	D233-L257 VanDerWaalsContact OD2-CB 3.25Å; D233-L257 WeakPolarHBondContact OD2-CB 3.24Å; D233-L257 WeakPolarHBondContact OD2-CD1 3.28Å; F248-L257 HydrophobicContact CD2-CD1 3.67Å; F248-L257 HydrophobicContact CE2-CD1 3.79Å; F248-L257 WeakPolarHBondContact O-CD1 3.21Å; G251-L257 PolarHBondContact O-N 3.09Å; F252-L257 HydrophobicContact CB-CD1 4.13Å; L257-K259 VanDerWaalsContact C-N 3.27Å; L257-K259 PolarHBondContact O-N 3.09Å; L257-E260 PolarHBondContact O-N 3.3Å; L257-N261 PolarHBondContact O-N 2.96Å
258	L	60.7	Low	69.4	Low	29 Å²	29	78.5 Å²	78.5	15%	0.152	39%	0.391	C	S	.	.	H	α-helix	trans	-64.9	-31.4	178.4	-67.1	164.2	0	0	0	112.9	E231 F252 K256 R262	E231-L258 WeakPolarHBondContact OE2-CD1 3.23Å; F252-L258 HydrophobicContact CE2-CD1 4.48Å; K256-L258 PolarHBondContact O-N 3.31Å; L258-R262 VanDerWaalsContact O-CG 3.3Å; L258-R262 WeakPolarHBondContact O-CG 3.48Å; L258-R262 PolarHBondContact O-N 2.86Å; L258-R262 VanDerWaalsContact O-N 3.16Å
259	K	57	Low	66.7	Low	138 Å²	138	83 Å²	83	60%	0.6	42%	0.422	S	S	*	.	H	α-helix	trans	-71.2	-43.8	176.9	-68.8	175.3	-177.7	176.8	0	110.8	G255 K256 L257 R262 E263	G255-K259 WeakPolarHBondContact O-CG 3.47Å; K256-K259 PolarHBondContact O-N 2.86Å; L257-K259 VanDerWaalsContact C-N 3.27Å; L257-K259 PolarHBondContact O-N 3.09Å; K259-R262 PolarHBondContact O-N 3.33Å; K259-E263 WeakPolarHBondContact O-CB 3.34Å; K259-E263 WeakPolarHBondContact O-CG 3.34Å; K259-E263 PolarHBondContact O-N 3.44Å
260	E	60	Low	64.1	Low	119 Å²	119	92.6 Å²	92.6	56%	0.556	46%	0.463	S	S	*	.	H	α-helix	trans	-63.2	-42.6	178.3	-67.9	173.7	-177.9	0	0	111.7	K256 L257 E263 S264	K256-E260 PolarHBondContact O-N 3.2Å; L257-E260 PolarHBondContact O-N 3.3Å; E260-E263 PolarHBondContact O-N 2.84Å; E260-S264 WeakPolarHBondContact O-CB 3.28Å; E260-S264 PolarHBondContact O-N 3.17Å; E260-S264 PolarHBondContact O-OG 3.48Å
261	N	57.4	Low	61.5	Low	65 Å²	65	95.2 Å²	95.2	35%	0.348	48%	0.482	S	S	.	.	H	α-helix	trans	-62.3	-48.5	175.3	-76.2	-15.1	0	0	0	111.9	D233 L257 E263 S264 E265	D233-N261 PolarHBondContact OD1-ND2 2.75Å; L257-N261 PolarHBondContact O-N 2.96Å; N261-E263 VanDerWaalsContact C-N 3.34Å; N261-E263 PolarHBondContact O-N 3.42Å; N261-S264 PolarHBondContact O-N 3.2Å; N261-S264 VanDerWaalsContact O-N 3.15Å; N261-S264 PolarHBondContact O-OG 3.1Å; N261-E265 PolarHBondContact O-N 3.12Å
262	R	54.7	Low	58.7	Low	156 Å²	156	103.4 Å²	103.4	59%	0.589	52%	0.517	S	S	*	.	H	α-helix	trans	-60.2	-41.2	176.8	-73.2	179.6	-173.1	-175.9	7.1	112.5	E231 L258 K259 S264 E265 E266	E231-R262 IonicContact OE1-NH2 3.53Å; L258-R262 VanDerWaalsContact O-CG 3.3Å; L258-R262 WeakPolarHBondContact O-CG 3.48Å; L258-R262 PolarHBondContact O-N 2.86Å; L258-R262 VanDerWaalsContact O-N 3.16Å; K259-R262 PolarHBondContact O-N 3.33Å; R262-S264 VanDerWaalsContact C-N 3.33Å; R262-S264 PolarHBondContact O-N 2.87Å; R262-E265 PolarHBondContact O-N 2.86Å; R262-E266 PolarHBondContact O-N 3.46Å; R262-E266 VanDerWaalsContact O-N 3.09Å
263	E	49.6	Very low	55.8	Low	102 Å²	102	114.7 Å²	114.7	48%	0.477	58%	0.576	S	S	.	*	H	α-helix	trans	-67.6	-32.3	176.4	-75.4	-177.1	-159.6	0	0	112.9	K259 E260 N261 K267	K259-E263 WeakPolarHBondContact O-CB 3.34Å; K259-E263 WeakPolarHBondContact O-CG 3.34Å; K259-E263 PolarHBondContact O-N 3.44Å; E260-E263 PolarHBondContact O-N 2.84Å; N261-E263 VanDerWaalsContact C-N 3.34Å; N261-E263 PolarHBondContact O-N 3.42Å; E263-K267 WeakPolarHBondContact O-CB 3.4Å; E263-K267 WeakPolarHBondContact O-CD 3.46Å; E263-K267 WeakPolarHBondContact O-CG 3.36Å; E263-K267 PolarHBondContact O-N 2.91Å; E263-K267 IonicContact OE2-NZ 3.77Å
264	S	53.3	Low	54.1	Low	64 Å²	64	116.5 Å²	116.5	45%	0.448	58%	0.584	S	S	.	*	H	α-helix	trans	-73.7	-37.6	176.5	74.8	0	0	0	0	112.3	E260 N261 R262 K267 T268	E260-S264 WeakPolarHBondContact O-CB 3.28Å; E260-S264 PolarHBondContact O-N 3.17Å; E260-S264 PolarHBondContact O-OG 3.48Å; N261-S264 PolarHBondContact O-N 3.2Å; N261-S264 VanDerWaalsContact O-N 3.15Å; N261-S264 PolarHBondContact O-OG 3.1Å; R262-S264 VanDerWaalsContact C-N 3.33Å; R262-S264 PolarHBondContact O-N 2.87Å; S264-K267 PolarHBondContact O-N 3.34Å; S264-T268 PolarHBondContact O-N 3.21Å; S264-T268 PolarHBondContact O-OG1 3.19Å
265	E	52.4	Low	52.1	Low	131 Å²	131	119.3 Å²	119.3	61%	0.612	59%	0.592	S	S	*	*	H	α-helix	trans	-66.2	-39.6	175	-75.2	-173.2	161.1	0	0	111.7	N261 R262 K267 T268	N261-E265 PolarHBondContact O-N 3.12Å; R262-E265 PolarHBondContact O-N 2.86Å; E265-K267 VanDerWaalsContact C-N 3.26Å; E265-K267 PolarHBondContact O-N 2.64Å; E265-T268 PolarHBondContact O-N 3.09Å; E265-T268 PolarHBondContact O-OG1 3.41Å
266	E	49	Very low	50.5	Low	173 Å²	173	124.6 Å²	124.6	81%	0.808	61%	0.611	S	S	*	*	H	α-helix	trans	-66.8	-25.3	173.7	-78.6	-174.4	168.2	0	0	113.3	R262	R262-E266 PolarHBondContact O-N 3.46Å; R262-E266 VanDerWaalsContact O-N 3.09Å
267	K	46.2	Very low	49.1	Very low	155 Å²	155	124.2 Å²	124.2	67%	0.674	61%	0.614	S	S	*	*	H	α-helix	trans	-85.9	-10.8	179.1	-74.8	170.2	-171.4	160.5	0	113.8	E263 S264 E265 P269	E263-K267 WeakPolarHBondContact O-CB 3.4Å; E263-K267 WeakPolarHBondContact O-CD 3.46Å; E263-K267 WeakPolarHBondContact O-CG 3.36Å; E263-K267 PolarHBondContact O-N 2.91Å; E263-K267 IonicContact OE2-NZ 3.77Å; S264-K267 PolarHBondContact O-N 3.34Å; E265-K267 VanDerWaalsContact C-N 3.26Å; E265-K267 PolarHBondContact O-N 2.64Å; K267-P269 WeakPolarHBondContact O-CD 3.4Å
268	T	36	Very low	47.9	Very low	97 Å²	97	129.9 Å²	129.9	60%	0.595	64%	0.641	S	S	*	*	S	Bend	trans	-77	114.3	169.5	5.4	0	0	0	0	109.7	S264 E265 K270	S264-T268 PolarHBondContact O-N 3.21Å; S264-T268 PolarHBondContact O-OG1 3.19Å; E265-T268 PolarHBondContact O-N 3.09Å; E265-T268 PolarHBondContact O-OG1 3.41Å; T268-K270 PolarHBondContact O-N 3.1Å
269	P	38.3	Very low	47.1	Very low	108 Å²	108	136.7 Å²	136.7	70%	0.701	67%	0.674	S	S	*	*			trans	-66.3	127.9	-179.5	25.2	-28.5	0	0	0	109.2	K267 V271	K267-P269 WeakPolarHBondContact O-CD 3.4Å; P269-V271 PolarHBondContact O-N 3.45Å
270	K	41.6	Very low	46.4	Very low	202 Å²	202	136.6 Å²	136.6	88%	0.878	68%	0.679	S	S	*	*			trans	-55.6	100.2	165.4	-80.7	-177.6	175.8	179	0	108.1	T268 E272	T268-K270 PolarHBondContact O-N 3.1Å; K270-E272 PolarHBondContact O-N 2.79Å
271	V	41	Very low	45.3	Very low	121 Å²	121	137.9 Å²	137.9	73%	0.733	69%	0.689	S	S	*	*			trans	-76.8	98.7	163.2	-177.6	0	0	0	0	105.3	P269 L273	P269-V271 PolarHBondContact O-N 3.45Å; V271-L273 PolarHBondContact O-N 3.16Å
272	E	36.3	Very low	44.3	Very low	182 Å²	182	144 Å²	144	85%	0.85	72%	0.717	S	S	*	*			trans	-60.6	125	165.6	-73.8	179.6	156.2	0	0	108.7	K270	K270-E272 PolarHBondContact O-N 2.79Å
273	L	33.2	Very low	43.3	Very low	237 Å²	237	142.9 Å²	142.9	100%	1.241	73%	0.729	S	S	*	*			trans	-129.9	0	160.4	-86.6	166.3	0	0	0	107.9	V271	V271-L273 PolarHBondContact O-N 3.16Å

Retrieved 273 of 273 residues in 135 ms (Link to these results)

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